NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
547354 | 2rsn | 11496 | cing | 1-original | 2 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -41.386 -9.545 1.802 2 H2 MET 1 H2 MET 1 -41.218 -7.844 2.077 3 H3 MET 1 H3 MET 1 -41.266 -8.955 3.361 4 HA MET 1 HA MET 1 -39.134 -9.043 1.390 5 HB2 MET 1 HB2 MET 1 -39.242 -7.748 4.140 6 HB3 MET 1 HB3 MET 1 -37.749 -8.106 3.294 7 HG2 MET 1 HG2 MET 1 -38.344 -5.749 3.107 8 HG3 MET 1 HG3 MET 1 -38.353 -6.532 1.531 9 HE1 MET 1 HE1 MET 1 -39.687 -3.663 2.210 10 HE2 MET 1 HE2 MET 1 -41.179 -3.785 1.278 11 HE3 MET 1 HE3 MET 1 -39.662 -4.373 0.596 12 H VAL 2 H VAL 2 -37.292 -10.294 2.557 13 HA VAL 2 HA VAL 2 -38.543 -12.409 4.117 14 HB VAL 2 HB VAL 2 -37.657 -13.140 1.890 15 HG11 VAL 2 HG11 VAL 2 -35.866 -11.578 1.565 16 HG12 VAL 2 HG12 VAL 2 -35.243 -13.226 1.462 17 HG13 VAL 2 HG13 VAL 2 -34.973 -12.269 2.920 18 HG21 VAL 2 HG21 VAL 2 -36.289 -15.042 2.686 19 HG22 VAL 2 HG22 VAL 2 -37.727 -14.772 3.670 20 HG23 VAL 2 HG23 VAL 2 -36.149 -14.250 4.257 21 H SER 3 H SER 3 -37.410 -13.037 6.012 22 HA SER 3 HA SER 3 -35.565 -10.982 6.920 23 HB2 SER 3 HB2 SER 3 -37.232 -12.932 8.520 24 HB3 SER 3 HB3 SER 3 -36.300 -11.575 9.156 25 HG SER 3 HG SER 3 -38.206 -10.651 8.948 26 H VAL 4 H VAL 4 -33.577 -11.700 6.401 27 HA VAL 4 HA VAL 4 -32.746 -14.258 7.525 28 HB VAL 4 HB VAL 4 -31.166 -14.570 5.622 29 HG11 VAL 4 HG11 VAL 4 -34.057 -14.432 4.792 30 HG12 VAL 4 HG12 VAL 4 -33.258 -15.789 5.585 31 HG13 VAL 4 HG13 VAL 4 -32.795 -15.327 3.946 32 HG21 VAL 4 HG21 VAL 4 -32.681 -12.292 4.338 33 HG22 VAL 4 HG22 VAL 4 -31.481 -13.305 3.531 34 HG23 VAL 4 HG23 VAL 4 -31.000 -12.258 4.868 35 H LYS 5 H LYS 5 -30.478 -14.294 8.039 36 HA LYS 5 HA LYS 5 -29.456 -11.598 8.612 37 HB2 LYS 5 HB2 LYS 5 -28.310 -12.505 10.525 38 HB3 LYS 5 HB3 LYS 5 -29.934 -13.170 10.585 39 HG2 LYS 5 HG2 LYS 5 -29.177 -15.274 9.742 40 HG3 LYS 5 HG3 LYS 5 -27.573 -14.621 9.423 41 HD2 LYS 5 HD2 LYS 5 -27.424 -14.165 11.915 42 HD3 LYS 5 HD3 LYS 5 -28.872 -15.166 12.080 43 HE2 LYS 5 HE2 LYS 5 -26.898 -16.521 12.442 44 HE3 LYS 5 HE3 LYS 5 -27.694 -17.013 10.946 45 HZ1 LYS 5 HZ1 LYS 5 -25.323 -16.868 10.578 46 HZ2 LYS 5 HZ2 LYS 5 -25.279 -15.296 11.184 47 HZ3 LYS 5 HZ3 LYS 5 -26.030 -15.584 9.729 48 HA PRO 6 HA PRO 6 -25.961 -12.470 5.935 49 HB2 PRO 6 HB2 PRO 6 -23.828 -11.692 7.531 50 HB3 PRO 6 HB3 PRO 6 -24.817 -10.570 6.574 51 HG2 PRO 6 HG2 PRO 6 -24.998 -11.218 9.466 52 HG3 PRO 6 HG3 PRO 6 -25.183 -9.655 8.642 53 HD2 PRO 6 HD2 PRO 6 -27.315 -10.996 9.488 54 HD3 PRO 6 HD3 PRO 6 -27.338 -10.106 7.953 55 H LEU 7 H LEU 7 -24.116 -13.849 5.678 56 HA LEU 7 HA LEU 7 -24.048 -16.079 7.541 57 HB2 LEU 7 HB2 LEU 7 -23.549 -15.959 4.544 58 HB3 LEU 7 HB3 LEU 7 -23.241 -17.368 5.525 59 HG LEU 7 HG LEU 7 -25.235 -17.794 4.375 60 HD11 LEU 7 HD11 LEU 7 -26.935 -18.033 6.089 61 HD12 LEU 7 HD12 LEU 7 -26.014 -16.965 7.144 62 HD13 LEU 7 HD13 LEU 7 -25.333 -18.516 6.646 63 HD21 LEU 7 HD21 LEU 7 -27.212 -16.324 4.373 64 HD22 LEU 7 HD22 LEU 7 -25.813 -15.546 3.632 65 HD23 LEU 7 HD23 LEU 7 -26.298 -15.111 5.270 66 HA PRO 8 HA PRO 8 -19.699 -15.047 7.698 67 HB2 PRO 8 HB2 PRO 8 -18.783 -17.805 7.784 68 HB3 PRO 8 HB3 PRO 8 -18.866 -16.660 9.136 69 HG2 PRO 8 HG2 PRO 8 -20.440 -18.866 8.967 70 HG3 PRO 8 HG3 PRO 8 -20.894 -17.388 9.835 71 HD2 PRO 8 HD2 PRO 8 -21.755 -18.309 7.129 72 HD3 PRO 8 HD3 PRO 8 -22.694 -17.500 8.404 73 H ASP 9 H ASP 9 -19.988 -14.411 5.477 74 HA ASP 9 HA ASP 9 -19.284 -16.217 3.354 75 HB2 ASP 9 HB2 ASP 9 -19.695 -13.207 3.329 76 HB3 ASP 9 HB3 ASP 9 -19.529 -14.217 1.900 77 H ILE 10 H ILE 10 -17.729 -14.041 5.415 78 HA ILE 10 HA ILE 10 -15.266 -14.191 3.837 79 HB ILE 10 HB ILE 10 -15.869 -12.338 6.191 80 HG12 ILE 10 HG12 ILE 10 -15.505 -10.492 4.439 81 HG13 ILE 10 HG13 ILE 10 -15.660 -11.748 3.225 82 HG21 ILE 10 HG21 ILE 10 -13.539 -12.982 6.155 83 HG22 ILE 10 HG22 ILE 10 -13.698 -11.278 5.712 84 HG23 ILE 10 HG23 ILE 10 -13.406 -12.501 4.469 85 HD11 ILE 10 HD11 ILE 10 -17.774 -10.911 5.203 86 HD12 ILE 10 HD12 ILE 10 -17.939 -12.194 4.006 87 HD13 ILE 10 HD13 ILE 10 -17.732 -10.521 3.481 88 H ASP 11 H ASP 11 -13.569 -15.316 4.635 89 HA ASP 11 HA ASP 11 -14.053 -17.195 6.682 90 HB2 ASP 11 HB2 ASP 11 -12.553 -17.588 4.727 91 HB3 ASP 11 HB3 ASP 11 -11.413 -16.445 5.406 92 H SER 12 H SER 12 -13.206 -17.352 8.654 93 HA SER 12 HA SER 12 -12.416 -14.825 9.935 94 HB2 SER 12 HB2 SER 12 -13.519 -17.342 11.198 95 HB3 SER 12 HB3 SER 12 -13.320 -15.766 11.972 96 HG SER 12 HG SER 12 -14.717 -15.629 9.662 97 H ASN 13 H ASN 13 -11.301 -17.794 8.873 98 HA ASN 13 HA ASN 13 -9.261 -18.226 10.826 99 HB2 ASN 13 HB2 ASN 13 -9.992 -20.244 9.992 100 HB3 ASN 13 HB3 ASN 13 -10.342 -19.579 8.409 101 HD21 ASN 13 HD21 ASN 13 -8.833 -19.581 6.891 102 HD22 ASN 13 HD22 ASN 13 -7.316 -20.434 7.013 103 H GLU 14 H GLU 14 -7.037 -18.026 10.438 104 HA GLU 14 HA GLU 14 -6.359 -15.903 8.569 105 HB2 GLU 14 HB2 GLU 14 -5.728 -15.676 10.960 106 HB3 GLU 14 HB3 GLU 14 -4.782 -17.148 10.836 107 HG2 GLU 14 HG2 GLU 14 -3.290 -16.068 9.241 108 HG3 GLU 14 HG3 GLU 14 -4.253 -14.595 9.332 109 H GLY 15 H GLY 15 -4.977 -16.266 6.874 110 HA2 GLY 15 HA2 GLY 15 -3.309 -18.523 6.647 111 HA3 GLY 15 HA3 GLY 15 -4.826 -18.841 5.823 112 H GLU 16 H GLU 16 -5.129 -18.068 3.836 113 HA GLU 16 HA GLU 16 -2.871 -16.618 2.689 114 HB2 GLU 16 HB2 GLU 16 -4.897 -18.467 1.404 115 HB3 GLU 16 HB3 GLU 16 -3.525 -17.720 0.585 116 HG2 GLU 16 HG2 GLU 16 -1.964 -18.960 1.912 117 HG3 GLU 16 HG3 GLU 16 -3.247 -19.565 2.948 118 H THR 17 H THR 17 -3.359 -14.577 2.703 119 HA THR 17 HA THR 17 -6.039 -13.647 1.921 120 HB THR 17 HB THR 17 -3.911 -12.005 3.309 121 HG1 THR 17 HG1 THR 17 -5.576 -14.054 4.272 122 HG21 THR 17 HG21 THR 17 -6.947 -11.952 3.391 123 HG22 THR 17 HG22 THR 17 -5.941 -10.849 2.453 124 HG23 THR 17 HG23 THR 17 -5.872 -10.821 4.216 125 H ASP 18 H ASP 18 -3.753 -14.467 0.125 126 HA ASP 18 HA ASP 18 -2.161 -12.395 -0.875 127 HB2 ASP 18 HB2 ASP 18 -1.778 -13.842 -2.781 128 HB3 ASP 18 HB3 ASP 18 -1.866 -14.838 -1.332 129 H ALA 19 H ALA 19 -5.386 -13.368 -1.694 130 HA ALA 19 HA ALA 19 -5.932 -11.903 -3.961 131 HB1 ALA 19 HB1 ALA 19 -7.831 -12.361 -1.667 132 HB2 ALA 19 HB2 ALA 19 -7.483 -13.516 -2.952 133 HB3 ALA 19 HB3 ALA 19 -8.275 -11.985 -3.332 134 H ASP 20 H ASP 20 -5.495 -10.690 -0.725 135 HA ASP 20 HA ASP 20 -6.160 -7.973 -1.666 136 HB2 ASP 20 HB2 ASP 20 -7.832 -9.085 -0.018 137 HB3 ASP 20 HB3 ASP 20 -6.555 -8.951 1.177 138 H VAL 21 H VAL 21 -3.624 -9.812 -1.229 139 HA VAL 21 HA VAL 21 -2.093 -7.665 -0.109 140 HB VAL 21 HB VAL 21 -2.771 -9.277 1.856 141 HG11 VAL 21 HG11 VAL 21 -0.625 -10.979 0.749 142 HG12 VAL 21 HG12 VAL 21 -2.328 -11.380 0.995 143 HG13 VAL 21 HG13 VAL 21 -1.284 -11.072 2.380 144 HG21 VAL 21 HG21 VAL 21 -0.657 -8.880 3.014 145 HG22 VAL 21 HG22 VAL 21 -1.243 -7.460 2.150 146 HG23 VAL 21 HG23 VAL 21 0.075 -8.419 1.476 147 H TYR 22 H TYR 22 -0.483 -7.322 -1.363 148 HA TYR 22 HA TYR 22 0.730 -9.626 -2.707 149 HB2 TYR 22 HB2 TYR 22 0.562 -6.749 -3.613 150 HB3 TYR 22 HB3 TYR 22 1.572 -7.962 -4.393 151 HD1 TYR 22 HD2 TYR 22 0.556 -9.808 -5.634 152 HD2 TYR 22 HD1 TYR 22 -1.823 -6.741 -3.913 153 HE1 TYR 22 HE2 TYR 22 -1.334 -10.490 -7.048 154 HE2 TYR 22 HE1 TYR 22 -3.723 -7.414 -5.318 155 HH TYR 22 HH TYR 22 -3.879 -10.288 -6.908 156 H GLU 23 H GLU 23 3.062 -9.372 -3.108 157 HA GLU 23 HA GLU 23 4.332 -8.821 -0.647 158 HB2 GLU 23 HB2 GLU 23 5.178 -9.659 -3.294 159 HB3 GLU 23 HB3 GLU 23 6.378 -9.222 -2.058 160 HG2 GLU 23 HG2 GLU 23 5.752 -10.963 -0.729 161 HG3 GLU 23 HG3 GLU 23 4.230 -11.172 -1.600 162 H VAL 24 H VAL 24 5.624 -7.387 -0.092 163 HA VAL 24 HA VAL 24 6.020 -5.111 -1.887 164 HB VAL 24 HB VAL 24 6.195 -5.281 1.150 165 HG11 VAL 24 HG11 VAL 24 6.807 -2.917 -0.638 166 HG12 VAL 24 HG12 VAL 24 7.978 -3.800 0.369 167 HG13 VAL 24 HG13 VAL 24 6.653 -2.902 1.120 168 HG21 VAL 24 HG21 VAL 24 4.447 -3.716 -0.712 169 HG22 VAL 24 HG22 VAL 24 4.430 -3.603 1.046 170 HG23 VAL 24 HG23 VAL 24 3.962 -5.111 0.253 171 H GLU 25 H GLU 25 7.799 -5.339 -2.998 172 HA GLU 25 HA GLU 25 9.974 -6.920 -2.061 173 HB2 GLU 25 HB2 GLU 25 9.276 -6.582 -4.504 174 HB3 GLU 25 HB3 GLU 25 9.976 -4.978 -4.385 175 HG2 GLU 25 HG2 GLU 25 11.455 -6.645 -5.453 176 HG3 GLU 25 HG3 GLU 25 12.157 -5.882 -4.027 177 H ASP 26 H ASP 26 9.542 -3.428 -2.803 178 HA ASP 26 HA ASP 26 10.376 -2.545 -0.311 179 HB2 ASP 26 HB2 ASP 26 12.673 -3.360 -1.261 180 HB3 ASP 26 HB3 ASP 26 12.546 -2.014 -2.383 181 H ILE 27 H ILE 27 11.012 -0.098 -0.610 182 HA ILE 27 HA ILE 27 8.881 1.027 -2.295 183 HB ILE 27 HB ILE 27 10.613 2.609 -0.380 184 HG12 ILE 27 HG12 ILE 27 9.760 0.726 0.973 185 HG13 ILE 27 HG13 ILE 27 8.997 2.235 1.441 186 HG21 ILE 27 HG21 ILE 27 7.779 2.987 -1.324 187 HG22 ILE 27 HG22 ILE 27 9.190 3.895 -1.850 188 HG23 ILE 27 HG23 ILE 27 8.622 4.037 -0.187 189 HD11 ILE 27 HD11 ILE 27 7.771 0.084 -0.274 190 HD12 ILE 27 HD12 ILE 27 6.993 1.596 0.195 191 HD13 ILE 27 HD13 ILE 27 7.411 0.402 1.423 192 H LEU 28 H LEU 28 9.385 2.500 -3.889 193 HA LEU 28 HA LEU 28 12.227 2.661 -4.594 194 HB2 LEU 28 HB2 LEU 28 9.783 2.886 -6.314 195 HB3 LEU 28 HB3 LEU 28 11.426 3.071 -6.912 196 HG LEU 28 HG LEU 28 10.197 0.561 -5.752 197 HD11 LEU 28 HD11 LEU 28 10.978 1.263 -8.574 198 HD12 LEU 28 HD12 LEU 28 9.337 1.071 -7.955 199 HD13 LEU 28 HD13 LEU 28 10.422 -0.318 -8.027 200 HD21 LEU 28 HD21 LEU 28 12.950 1.026 -6.912 201 HD22 LEU 28 HD22 LEU 28 12.275 -0.544 -6.480 202 HD23 LEU 28 HD23 LEU 28 12.574 0.656 -5.227 203 H ALA 29 H ALA 29 9.421 4.605 -3.884 204 HA ALA 29 HA ALA 29 10.915 6.950 -3.453 205 HB1 ALA 29 HB1 ALA 29 9.175 6.959 -5.942 206 HB2 ALA 29 HB2 ALA 29 10.933 7.094 -5.920 207 HB3 ALA 29 HB3 ALA 29 9.942 8.378 -5.226 208 H ASP 30 H ASP 30 9.115 8.883 -3.255 209 HA ASP 30 HA ASP 30 6.615 7.743 -2.389 210 HB2 ASP 30 HB2 ASP 30 6.660 8.741 -0.173 211 HB3 ASP 30 HB3 ASP 30 8.057 7.698 -0.411 212 H ARG 31 H ARG 31 5.063 9.547 -1.599 213 HA ARG 31 HA ARG 31 5.446 12.159 -2.699 214 HB2 ARG 31 HB2 ARG 31 4.819 10.664 -4.718 215 HB3 ARG 31 HB3 ARG 31 3.262 10.442 -3.937 216 HG2 ARG 31 HG2 ARG 31 2.944 12.912 -3.989 217 HG3 ARG 31 HG3 ARG 31 4.441 13.044 -4.904 218 HD2 ARG 31 HD2 ARG 31 2.699 13.120 -6.498 219 HD3 ARG 31 HD3 ARG 31 3.369 11.496 -6.608 220 HE ARG 31 HE ARG 31 1.314 11.122 -4.895 221 HH11 ARG 31 HH11 ARG 31 1.390 12.790 -8.008 222 HH12 ARG 31 HH12 ARG 31 -0.261 12.472 -8.351 223 HH21 ARG 31 HH21 ARG 31 -0.839 10.680 -5.339 224 HH22 ARG 31 HH22 ARG 31 -1.608 11.225 -6.728 225 H VAL 32 H VAL 32 3.482 13.481 -2.183 226 HA VAL 32 HA VAL 32 1.595 12.243 -0.354 227 HB VAL 32 HB VAL 32 2.964 14.921 0.173 228 HG11 VAL 32 HG11 VAL 32 1.023 13.367 1.877 229 HG12 VAL 32 HG12 VAL 32 0.686 14.855 0.996 230 HG13 VAL 32 HG13 VAL 32 1.824 14.868 2.343 231 HG21 VAL 32 HG21 VAL 32 3.367 12.314 1.654 232 HG22 VAL 32 HG22 VAL 32 4.035 13.876 2.129 233 HG23 VAL 32 HG23 VAL 32 4.551 13.118 0.623 234 H ASN 33 H ASN 33 -0.434 13.073 -0.663 235 HA ASN 33 HA ASN 33 -0.880 14.762 -2.997 236 HB2 ASN 33 HB2 ASN 33 -2.822 13.576 -0.991 237 HB3 ASN 33 HB3 ASN 33 -3.305 14.526 -2.378 238 HD21 ASN 33 HD21 ASN 33 -2.127 11.472 -1.241 239 HD22 ASN 33 HD22 ASN 33 -2.393 10.615 -2.705 240 H LYS 34 H LYS 34 -2.668 16.502 -2.629 241 HA LYS 34 HA LYS 34 -1.732 18.184 -0.482 242 HB2 LYS 34 HB2 LYS 34 -2.054 19.151 -2.741 243 HB3 LYS 34 HB3 LYS 34 -3.757 18.762 -2.662 244 HG2 LYS 34 HG2 LYS 34 -3.452 21.134 -2.306 245 HG3 LYS 34 HG3 LYS 34 -4.025 20.397 -0.819 246 HD2 LYS 34 HD2 LYS 34 -1.076 20.823 -1.238 247 HD3 LYS 34 HD3 LYS 34 -2.089 22.178 -0.758 248 HE2 LYS 34 HE2 LYS 34 -2.769 20.981 1.251 249 HE3 LYS 34 HE3 LYS 34 -1.848 19.566 0.783 250 HZ1 LYS 34 HZ1 LYS 34 0.170 20.905 0.925 251 HZ2 LYS 34 HZ2 LYS 34 -0.668 20.861 2.392 252 HZ3 LYS 34 HZ3 LYS 34 -0.746 22.245 1.423 253 H ASN 35 H ASN 35 -4.279 16.127 -1.306 254 HA ASN 35 HA ASN 35 -6.346 17.036 0.394 255 HB2 ASN 35 HB2 ASN 35 -5.843 14.291 -0.752 256 HB3 ASN 35 HB3 ASN 35 -7.339 14.812 0.013 257 HD21 ASN 35 HD21 ASN 35 -8.722 16.156 -1.110 258 HD22 ASN 35 HD22 ASN 35 -8.499 16.480 -2.795 259 H GLY 36 H GLY 36 -3.457 15.283 1.026 260 HA2 GLY 36 HA2 GLY 36 -2.761 15.126 3.333 261 HA3 GLY 36 HA3 GLY 36 -4.439 14.846 3.765 262 H ILE 37 H ILE 37 -3.175 13.154 0.996 263 HA ILE 37 HA ILE 37 -3.050 10.721 2.640 264 HB ILE 37 HB ILE 37 -3.661 11.048 -0.325 265 HG12 ILE 37 HG12 ILE 37 -5.832 9.763 0.432 266 HG13 ILE 37 HG13 ILE 37 -5.360 10.405 2.005 267 HG21 ILE 37 HG21 ILE 37 -3.479 8.505 1.242 268 HG22 ILE 37 HG22 ILE 37 -2.390 9.062 -0.039 269 HG23 ILE 37 HG23 ILE 37 -4.073 8.663 -0.414 270 HD11 ILE 37 HD11 ILE 37 -5.918 12.035 -0.439 271 HD12 ILE 37 HD12 ILE 37 -5.498 12.659 1.158 272 HD13 ILE 37 HD13 ILE 37 -7.028 11.805 0.914 273 H ASN 38 H ASN 38 -1.071 9.719 2.693 274 HA ASN 38 HA ASN 38 0.993 10.731 0.972 275 HB2 ASN 38 HB2 ASN 38 2.443 9.471 2.612 276 HB3 ASN 38 HB3 ASN 38 1.557 10.834 3.272 277 HD21 ASN 38 HD21 ASN 38 2.660 8.676 4.677 278 HD22 ASN 38 HD22 ASN 38 1.389 7.887 5.517 279 H GLU 39 H GLU 39 2.274 9.315 -0.285 280 HA GLU 39 HA GLU 39 1.121 6.652 -0.829 281 HB2 GLU 39 HB2 GLU 39 1.836 8.724 -2.880 282 HB3 GLU 39 HB3 GLU 39 1.126 7.144 -3.164 283 HG2 GLU 39 HG2 GLU 39 -0.950 7.812 -2.495 284 HG3 GLU 39 HG3 GLU 39 -0.316 9.119 -1.485 285 H TYR 40 H TYR 40 2.638 5.306 -1.911 286 HA TYR 40 HA TYR 40 5.355 6.386 -2.165 287 HB2 TYR 40 HB2 TYR 40 4.751 3.758 -0.801 288 HB3 TYR 40 HB3 TYR 40 6.318 4.551 -0.939 289 HD1 TYR 40 HD1 TYR 40 6.765 6.560 0.375 290 HD2 TYR 40 HD2 TYR 40 3.195 4.374 0.857 291 HE1 TYR 40 HE1 TYR 40 6.349 7.756 2.477 292 HE2 TYR 40 HE2 TYR 40 2.758 5.523 2.978 293 HH TYR 40 HH TYR 40 4.036 6.783 4.761 294 H TYR 41 H TYR 41 6.608 5.282 -3.660 295 HA TYR 41 HA TYR 41 5.158 3.843 -5.705 296 HB2 TYR 41 HB2 TYR 41 6.921 5.674 -6.087 297 HB3 TYR 41 HB3 TYR 41 8.118 4.481 -5.622 298 HD1 TYR 41 HD1 TYR 41 5.107 3.930 -7.761 299 HD2 TYR 41 HD2 TYR 41 9.343 4.279 -7.619 300 HE1 TYR 41 HE1 TYR 41 5.245 3.215 -10.103 301 HE2 TYR 41 HE2 TYR 41 9.485 3.566 -9.958 302 HH TYR 41 HH TYR 41 8.098 2.247 -11.549 303 H ILE 42 H ILE 42 4.740 1.779 -5.145 304 HA ILE 42 HA ILE 42 6.670 0.276 -3.510 305 HB ILE 42 HB ILE 42 3.906 -0.628 -4.296 306 HG12 ILE 42 HG12 ILE 42 3.645 1.539 -3.193 307 HG13 ILE 42 HG13 ILE 42 3.085 0.239 -2.148 308 HG21 ILE 42 HG21 ILE 42 4.083 -1.996 -2.261 309 HG22 ILE 42 HG22 ILE 42 5.703 -1.357 -1.980 310 HG23 ILE 42 HG23 ILE 42 5.381 -2.345 -3.406 311 HD11 ILE 42 HD11 ILE 42 5.168 0.364 -0.903 312 HD12 ILE 42 HD12 ILE 42 4.279 1.891 -0.923 313 HD13 ILE 42 HD13 ILE 42 5.702 1.686 -1.949 314 H LYS 43 H LYS 43 7.832 -1.410 -4.380 315 HA LYS 43 HA LYS 43 6.892 -2.311 -6.965 316 HB2 LYS 43 HB2 LYS 43 9.410 -1.819 -6.699 317 HB3 LYS 43 HB3 LYS 43 9.490 -3.277 -5.720 318 HG2 LYS 43 HG2 LYS 43 8.495 -3.266 -8.597 319 HG3 LYS 43 HG3 LYS 43 10.168 -3.571 -8.155 320 HD2 LYS 43 HD2 LYS 43 9.601 -5.608 -7.067 321 HD3 LYS 43 HD3 LYS 43 7.889 -5.207 -7.048 322 HE2 LYS 43 HE2 LYS 43 9.493 -5.763 -9.553 323 HE3 LYS 43 HE3 LYS 43 8.511 -6.962 -8.716 324 HZ1 LYS 43 HZ1 LYS 43 6.523 -5.422 -9.163 325 HZ2 LYS 43 HZ2 LYS 43 7.153 -6.133 -10.461 326 HZ3 LYS 43 HZ3 LYS 43 7.534 -4.530 -10.164 327 H TRP 44 H TRP 44 5.289 -3.635 -6.794 328 HA TRP 44 HA TRP 44 5.064 -5.410 -4.589 329 HB2 TRP 44 HB2 TRP 44 3.442 -5.319 -7.132 330 HB3 TRP 44 HB3 TRP 44 3.007 -6.118 -5.629 331 HD1 TRP 44 HD1 TRP 44 2.864 -2.788 -7.373 332 HE1 TRP 44 HE1 TRP 44 1.655 -1.093 -5.854 333 HE3 TRP 44 HE3 TRP 44 2.696 -5.520 -3.074 334 HZ2 TRP 44 HZ2 TRP 44 0.778 -0.930 -3.202 335 HZ3 TRP 44 HZ3 TRP 44 1.660 -4.537 -1.099 336 HH2 TRP 44 HH2 TRP 44 0.717 -2.279 -1.150 337 H ALA 45 H ALA 45 5.855 -7.305 -4.481 338 HA ALA 45 HA ALA 45 6.932 -8.589 -6.855 339 HB1 ALA 45 HB1 ALA 45 8.393 -8.522 -4.894 340 HB2 ALA 45 HB2 ALA 45 7.991 -10.181 -5.337 341 HB3 ALA 45 HB3 ALA 45 7.193 -9.418 -3.965 342 H GLY 46 H GLY 46 6.458 -10.926 -7.159 343 HA2 GLY 46 HA2 GLY 46 4.935 -12.706 -7.074 344 HA3 GLY 46 HA3 GLY 46 3.808 -11.671 -6.196 345 H TYR 47 H TYR 47 4.356 -9.476 -8.090 346 HA TYR 47 HA TYR 47 2.665 -10.448 -10.267 347 HB2 TYR 47 HB2 TYR 47 2.178 -8.263 -8.717 348 HB3 TYR 47 HB3 TYR 47 3.100 -7.532 -10.042 349 HD1 TYR 47 HD2 TYR 47 0.784 -10.187 -10.118 350 HD2 TYR 47 HD1 TYR 47 1.596 -6.409 -11.318 351 HE1 TYR 47 HE2 TYR 47 -1.307 -10.257 -11.532 352 HE2 TYR 47 HE1 TYR 47 -0.386 -6.339 -12.764 353 HH TYR 47 HH TYR 47 -1.856 -7.977 -13.944 354 H ASP 48 H ASP 48 2.986 -8.936 -12.089 355 HA ASP 48 HA ASP 48 5.416 -9.526 -13.385 356 HB2 ASP 48 HB2 ASP 48 3.427 -8.945 -14.683 357 HB3 ASP 48 HB3 ASP 48 3.473 -7.300 -14.045 358 H TRP 49 H TRP 49 7.167 -8.220 -14.004 359 HA TRP 49 HA TRP 49 8.311 -6.821 -11.805 360 HB2 TRP 49 HB2 TRP 49 10.237 -6.473 -13.258 361 HB3 TRP 49 HB3 TRP 49 9.663 -8.131 -13.379 362 HD1 TRP 49 HD1 TRP 49 8.453 -8.826 -15.727 363 HE1 TRP 49 HE1 TRP 49 8.634 -7.828 -18.068 364 HE3 TRP 49 HE3 TRP 49 10.561 -4.382 -14.492 365 HZ2 TRP 49 HZ2 TRP 49 9.591 -5.428 -19.270 366 HZ3 TRP 49 HZ3 TRP 49 11.099 -2.760 -16.294 367 HH2 TRP 49 HH2 TRP 49 10.618 -3.284 -18.631 368 H TYR 50 H TYR 50 6.426 -5.710 -14.517 369 HA TYR 50 HA TYR 50 7.328 -2.966 -14.182 370 HB2 TYR 50 HB2 TYR 50 7.298 -4.105 -16.436 371 HB3 TYR 50 HB3 TYR 50 5.551 -4.196 -16.309 372 HD1 TYR 50 HD1 TYR 50 8.349 -1.735 -16.273 373 HD2 TYR 50 HD2 TYR 50 4.266 -2.463 -17.219 374 HE1 TYR 50 HE1 TYR 50 8.206 0.478 -17.332 375 HE2 TYR 50 HE2 TYR 50 4.111 -0.250 -18.276 376 HH TYR 50 HH TYR 50 5.264 1.918 -18.149 377 H ASP 51 H ASP 51 5.463 -4.494 -12.292 378 HA ASP 51 HA ASP 51 2.864 -3.327 -12.787 379 HB2 ASP 51 HB2 ASP 51 2.054 -4.669 -11.186 380 HB3 ASP 51 HB3 ASP 51 3.333 -5.717 -11.832 381 H ASN 52 H ASN 52 5.609 -2.543 -11.057 382 HA ASN 52 HA ASN 52 4.751 -1.563 -8.630 383 HB2 ASN 52 HB2 ASN 52 6.737 0.036 -8.749 384 HB3 ASN 52 HB3 ASN 52 7.077 -1.674 -8.912 385 HD21 ASN 52 HD21 ASN 52 5.809 0.267 -11.591 386 HD22 ASN 52 HD22 ASN 52 7.252 0.204 -12.526 387 H THR 53 H THR 53 3.888 0.232 -7.824 388 HA THR 53 HA THR 53 3.238 2.457 -9.512 389 HB THR 53 HB THR 53 1.448 0.871 -10.116 390 HG1 THR 53 HG1 THR 53 -0.151 2.411 -8.565 391 HG21 THR 53 HG21 THR 53 0.792 0.809 -7.158 392 HG22 THR 53 HG22 THR 53 1.452 -0.529 -8.099 393 HG23 THR 53 HG23 THR 53 -0.174 0.065 -8.435 394 H TRP 54 H TRP 54 1.689 3.879 -8.113 395 HA TRP 54 HA TRP 54 2.990 4.208 -5.524 396 HB2 TRP 54 HB2 TRP 54 0.993 5.999 -6.944 397 HB3 TRP 54 HB3 TRP 54 1.920 6.407 -5.506 398 HD1 TRP 54 HD1 TRP 54 2.311 5.952 -9.293 399 HE1 TRP 54 HE1 TRP 54 4.472 7.106 -10.047 400 HE3 TRP 54 HE3 TRP 54 4.237 7.182 -4.702 401 HZ2 TRP 54 HZ2 TRP 54 6.686 8.386 -8.875 402 HZ3 TRP 54 HZ3 TRP 54 6.369 8.377 -4.627 403 HH2 TRP 54 HH2 TRP 54 7.573 8.963 -6.659 404 H GLU 55 H GLU 55 1.915 3.828 -3.646 405 HA GLU 55 HA GLU 55 -0.976 3.230 -3.765 406 HB2 GLU 55 HB2 GLU 55 0.485 1.189 -3.771 407 HB3 GLU 55 HB3 GLU 55 1.234 1.757 -2.298 408 HG2 GLU 55 HG2 GLU 55 -0.300 0.046 -1.713 409 HG3 GLU 55 HG3 GLU 55 -0.985 1.582 -1.200 410 HA PRO 56 HA PRO 56 -0.752 6.037 -0.121 411 HB2 PRO 56 HB2 PRO 56 -2.995 5.210 1.164 412 HB3 PRO 56 HB3 PRO 56 -3.053 6.234 -0.292 413 HG2 PRO 56 HG2 PRO 56 -3.433 3.294 -0.060 414 HG3 PRO 56 HG3 PRO 56 -4.387 4.487 -0.971 415 HD2 PRO 56 HD2 PRO 56 -2.578 2.976 -2.193 416 HD3 PRO 56 HD3 PRO 56 -2.818 4.676 -2.647 417 H GLU 57 H GLU 57 -0.319 5.944 2.100 418 HA GLU 57 HA GLU 57 1.186 3.724 3.033 419 HB2 GLU 57 HB2 GLU 57 1.321 6.185 3.885 420 HB3 GLU 57 HB3 GLU 57 -0.109 5.794 4.773 421 HG2 GLU 57 HG2 GLU 57 0.928 4.291 6.192 422 HG3 GLU 57 HG3 GLU 57 2.332 4.120 5.145 423 H GLN 58 H GLN 58 -1.990 4.542 3.133 424 HA GLN 58 HA GLN 58 -3.100 3.230 5.299 425 HB2 GLN 58 HB2 GLN 58 -4.238 3.828 2.567 426 HB3 GLN 58 HB3 GLN 58 -5.191 3.302 3.935 427 HG2 GLN 58 HG2 GLN 58 -5.318 5.730 3.449 428 HG3 GLN 58 HG3 GLN 58 -4.785 5.404 5.108 429 HE21 GLN 58 HE21 GLN 58 -2.607 6.078 5.625 430 HE22 GLN 58 HE22 GLN 58 -1.764 7.169 4.596 431 H ASN 59 H ASN 59 -2.224 1.974 2.055 432 HA ASN 59 HA ASN 59 -3.327 -0.616 2.740 433 HB2 ASN 59 HB2 ASN 59 -2.107 0.459 0.229 434 HB3 ASN 59 HB3 ASN 59 -2.283 -1.271 0.451 435 HD21 ASN 59 HD21 ASN 59 -4.560 1.170 1.580 436 HD22 ASN 59 HD22 ASN 59 -5.811 0.711 0.459 437 H LEU 60 H LEU 60 -0.517 0.973 3.332 438 HA LEU 60 HA LEU 60 1.223 -1.330 3.109 439 HB2 LEU 60 HB2 LEU 60 1.692 1.581 3.502 440 HB3 LEU 60 HB3 LEU 60 2.898 0.453 4.077 441 HG LEU 60 HG LEU 60 3.086 -0.454 1.779 442 HD11 LEU 60 HD11 LEU 60 1.335 1.870 1.017 443 HD12 LEU 60 HD12 LEU 60 0.916 0.161 0.891 444 HD13 LEU 60 HD13 LEU 60 2.214 0.827 -0.101 445 HD21 LEU 60 HD21 LEU 60 4.617 1.193 2.658 446 HD22 LEU 60 HD22 LEU 60 3.601 2.493 2.013 447 HD23 LEU 60 HD23 LEU 60 4.399 1.355 0.927 448 H PHE 61 H PHE 61 -0.942 -0.961 5.122 449 HA PHE 61 HA PHE 61 -0.064 -0.505 7.697 450 HB2 PHE 61 HB2 PHE 61 -2.007 -1.720 8.454 451 HB3 PHE 61 HB3 PHE 61 -2.424 -0.966 6.919 452 HD1 PHE 61 HD2 PHE 61 -2.374 -2.404 4.813 453 HD2 PHE 61 HD1 PHE 61 -2.279 -4.028 8.748 454 HE1 PHE 61 HE2 PHE 61 -3.095 -4.582 3.935 455 HE2 PHE 61 HE1 PHE 61 -3.002 -6.206 7.869 456 HZ PHE 61 HZ PHE 61 -3.412 -6.484 5.458 457 H GLY 62 H GLY 62 0.561 -3.300 5.715 458 HA2 GLY 62 HA2 GLY 62 1.702 -4.783 7.965 459 HA3 GLY 62 HA3 GLY 62 1.455 -5.409 6.339 460 H ALA 63 H ALA 63 2.683 -2.756 5.381 461 HA ALA 63 HA ALA 63 5.417 -3.790 5.311 462 HB1 ALA 63 HB1 ALA 63 5.638 -2.423 3.331 463 HB2 ALA 63 HB2 ALA 63 4.005 -1.789 3.556 464 HB3 ALA 63 HB3 ALA 63 4.249 -3.500 3.189 465 H GLU 64 H GLU 64 4.249 -2.226 7.549 466 HA GLU 64 HA GLU 64 5.283 0.363 7.527 467 HB2 GLU 64 HB2 GLU 64 4.511 -1.528 9.698 468 HB3 GLU 64 HB3 GLU 64 5.368 -0.048 10.116 469 HG2 GLU 64 HG2 GLU 64 2.821 -0.157 8.525 470 HG3 GLU 64 HG3 GLU 64 2.922 0.183 10.258 471 H LYS 65 H LYS 65 6.735 -2.628 8.275 472 HA LYS 65 HA LYS 65 9.148 -1.797 9.446 473 HB2 LYS 65 HB2 LYS 65 8.352 -4.085 9.370 474 HB3 LYS 65 HB3 LYS 65 8.584 -4.139 7.635 475 HG2 LYS 65 HG2 LYS 65 11.037 -3.812 8.026 476 HG3 LYS 65 HG3 LYS 65 10.723 -3.975 9.758 477 HD2 LYS 65 HD2 LYS 65 10.015 -6.042 7.670 478 HD3 LYS 65 HD3 LYS 65 11.437 -6.106 8.708 479 HE2 LYS 65 HE2 LYS 65 10.134 -6.436 10.648 480 HE3 LYS 65 HE3 LYS 65 8.647 -5.937 9.847 481 HZ1 LYS 65 HZ1 LYS 65 8.702 -7.852 8.509 482 HZ2 LYS 65 HZ2 LYS 65 8.775 -8.333 10.131 483 HZ3 LYS 65 HZ3 LYS 65 10.175 -8.386 9.161 484 H VAL 66 H VAL 66 8.496 -2.607 6.048 485 HA VAL 66 HA VAL 66 11.018 -1.681 5.170 486 HB VAL 66 HB VAL 66 10.036 -1.968 2.818 487 HG11 VAL 66 HG11 VAL 66 11.404 -3.682 3.908 488 HG12 VAL 66 HG12 VAL 66 10.103 -4.423 2.975 489 HG13 VAL 66 HG13 VAL 66 9.974 -4.307 4.730 490 HG21 VAL 66 HG21 VAL 66 7.703 -1.703 3.377 491 HG22 VAL 66 HG22 VAL 66 7.772 -3.127 4.416 492 HG23 VAL 66 HG23 VAL 66 7.996 -3.295 2.676 493 H LEU 67 H LEU 67 7.841 -0.217 5.242 494 HA LEU 67 HA LEU 67 8.489 1.995 3.630 495 HB2 LEU 67 HB2 LEU 67 6.234 1.371 3.937 496 HB3 LEU 67 HB3 LEU 67 6.362 1.541 5.676 497 HG LEU 67 HG LEU 67 6.633 3.939 5.452 498 HD11 LEU 67 HD11 LEU 67 6.267 3.481 2.493 499 HD12 LEU 67 HD12 LEU 67 7.763 3.978 3.290 500 HD13 LEU 67 HD13 LEU 67 6.379 5.048 3.301 501 HD21 LEU 67 HD21 LEU 67 4.423 3.029 5.718 502 HD22 LEU 67 HD22 LEU 67 4.279 2.804 3.976 503 HD23 LEU 67 HD23 LEU 67 4.384 4.434 4.652 504 H LYS 68 H LYS 68 8.277 1.629 7.143 505 HA LYS 68 HA LYS 68 9.162 4.227 7.555 506 HB2 LYS 68 HB2 LYS 68 9.036 1.923 9.510 507 HB3 LYS 68 HB3 LYS 68 9.427 3.580 9.965 508 HG2 LYS 68 HG2 LYS 68 6.802 2.650 8.740 509 HG3 LYS 68 HG3 LYS 68 7.056 3.097 10.424 510 HD2 LYS 68 HD2 LYS 68 7.656 5.411 9.663 511 HD3 LYS 68 HD3 LYS 68 7.271 4.932 8.014 512 HE2 LYS 68 HE2 LYS 68 5.266 4.799 10.279 513 HE3 LYS 68 HE3 LYS 68 5.472 6.223 9.277 514 HZ1 LYS 68 HZ1 LYS 68 3.625 4.704 8.688 515 HZ2 LYS 68 HZ2 LYS 68 4.622 3.532 8.198 516 HZ3 LYS 68 HZ3 LYS 68 4.565 5.037 7.378 517 H LYS 69 H LYS 69 10.887 1.230 7.240 518 HA LYS 69 HA LYS 69 13.525 2.016 7.705 519 HB2 LYS 69 HB2 LYS 69 13.388 -0.197 7.062 520 HB3 LYS 69 HB3 LYS 69 12.117 0.121 5.900 521 HG2 LYS 69 HG2 LYS 69 13.867 1.073 4.371 522 HG3 LYS 69 HG3 LYS 69 15.085 0.513 5.520 523 HD2 LYS 69 HD2 LYS 69 14.485 -1.762 5.182 524 HD3 LYS 69 HD3 LYS 69 13.012 -1.316 4.322 525 HE2 LYS 69 HE2 LYS 69 15.798 -0.728 3.345 526 HE3 LYS 69 HE3 LYS 69 14.855 -2.132 2.844 527 HZ1 LYS 69 HZ1 LYS 69 13.160 -0.548 1.927 528 HZ2 LYS 69 HZ2 LYS 69 14.537 -0.525 1.167 529 HZ3 LYS 69 HZ3 LYS 69 14.192 0.748 2.244 530 H TRP 70 H TRP 70 11.571 2.440 4.738 531 HA TRP 70 HA TRP 70 13.435 3.860 3.216 532 HB2 TRP 70 HB2 TRP 70 11.521 2.993 2.069 533 HB3 TRP 70 HB3 TRP 70 10.407 3.806 3.161 534 HD1 TRP 70 HD1 TRP 70 9.758 6.293 2.622 535 HE1 TRP 70 HE1 TRP 70 10.207 7.872 0.670 536 HE3 TRP 70 HE3 TRP 70 13.323 3.543 0.199 537 HZ2 TRP 70 HZ2 TRP 70 11.839 7.935 -1.637 538 HZ3 TRP 70 HZ3 TRP 70 14.271 4.439 -1.887 539 HH2 TRP 70 HH2 TRP 70 13.543 6.588 -2.785 540 H LYS 71 H LYS 71 10.754 5.074 5.156 541 HA LYS 71 HA LYS 71 11.446 7.768 4.823 542 HB2 LYS 71 HB2 LYS 71 9.567 6.398 6.696 543 HB3 LYS 71 HB3 LYS 71 9.895 8.137 6.830 544 HG2 LYS 71 HG2 LYS 71 8.890 6.782 4.347 545 HG3 LYS 71 HG3 LYS 71 7.859 7.554 5.550 546 HD2 LYS 71 HD2 LYS 71 8.943 9.688 5.195 547 HD3 LYS 71 HD3 LYS 71 10.092 8.968 4.076 548 HE2 LYS 71 HE2 LYS 71 8.286 8.423 2.553 549 HE3 LYS 71 HE3 LYS 71 7.125 9.084 3.698 550 HZ1 LYS 71 HZ1 LYS 71 9.337 10.767 2.678 551 HZ2 LYS 71 HZ2 LYS 71 7.888 11.293 3.312 552 HZ3 LYS 71 HZ3 LYS 71 7.960 10.608 1.766 553 H LYS 72 H LYS 72 12.663 5.490 7.026 554 HA LYS 72 HA LYS 72 13.791 7.336 8.876 555 HB2 LYS 72 HB2 LYS 72 13.560 4.616 8.832 556 HB3 LYS 72 HB3 LYS 72 15.204 4.822 8.234 557 HG2 LYS 72 HG2 LYS 72 14.260 5.971 10.855 558 HG3 LYS 72 HG3 LYS 72 14.995 4.383 10.698 559 HD2 LYS 72 HD2 LYS 72 17.036 5.419 9.821 560 HD3 LYS 72 HD3 LYS 72 16.285 7.011 9.949 561 HE2 LYS 72 HE2 LYS 72 17.772 6.560 11.853 562 HE3 LYS 72 HE3 LYS 72 16.098 6.747 12.369 563 HZ1 LYS 72 HZ1 LYS 72 15.906 4.337 12.494 564 HZ2 LYS 72 HZ2 LYS 72 17.160 4.883 13.482 565 HZ3 LYS 72 HZ3 LYS 72 17.514 4.152 11.998 566 H ARG 73 H ARG 73 14.953 5.658 5.964 567 HA ARG 73 HA ARG 73 17.533 6.930 6.087 568 HB2 ARG 73 HB2 ARG 73 17.224 4.621 5.288 569 HB3 ARG 73 HB3 ARG 73 16.299 5.225 3.929 570 HG2 ARG 73 HG2 ARG 73 18.448 4.745 3.094 571 HG3 ARG 73 HG3 ARG 73 18.367 6.497 3.237 572 HD2 ARG 73 HD2 ARG 73 19.712 4.605 5.178 573 HD3 ARG 73 HD3 ARG 73 20.530 5.631 4.010 574 HE ARG 73 HE ARG 73 19.110 6.484 6.421 575 HH11 ARG 73 HH11 ARG 73 21.317 7.262 3.764 576 HH12 ARG 73 HH12 ARG 73 21.935 8.688 4.444 577 HH21 ARG 73 HH21 ARG 73 19.972 8.504 7.413 578 HH22 ARG 73 HH22 ARG 73 21.150 9.407 6.591 579 H LYS 74 H LYS 74 14.528 7.556 4.418 580 HA LYS 74 HA LYS 74 15.728 9.871 3.093 581 HB2 LYS 74 HB2 LYS 74 15.493 7.997 1.458 582 HB3 LYS 74 HB3 LYS 74 13.799 7.857 1.862 583 HG2 LYS 74 HG2 LYS 74 14.973 10.350 0.610 584 HG3 LYS 74 HG3 LYS 74 14.373 8.995 -0.344 585 HD2 LYS 74 HD2 LYS 74 12.166 9.263 0.645 586 HD3 LYS 74 HD3 LYS 74 12.765 10.550 1.676 587 HE2 LYS 74 HE2 LYS 74 13.288 11.866 -0.379 588 HE3 LYS 74 HE3 LYS 74 12.501 10.601 -1.328 589 HZ1 LYS 74 HZ1 LYS 74 10.474 10.971 -0.073 590 HZ2 LYS 74 HZ2 LYS 74 10.941 12.428 -0.812 591 HZ3 LYS 74 HZ3 LYS 74 11.232 12.176 0.835 592 H LYS 75 H LYS 75 14.470 11.707 3.217 593 HA LYS 75 HA LYS 75 12.066 11.464 4.838 594 HB2 LYS 75 HB2 LYS 75 13.659 13.916 4.017 595 HB3 LYS 75 HB3 LYS 75 12.244 13.937 5.064 596 HG2 LYS 75 HG2 LYS 75 14.789 12.454 5.667 597 HG3 LYS 75 HG3 LYS 75 14.389 14.055 6.290 598 HD2 LYS 75 HD2 LYS 75 12.819 13.251 7.741 599 HD3 LYS 75 HD3 LYS 75 12.377 11.892 6.714 600 HE2 LYS 75 HE2 LYS 75 14.958 12.127 8.248 601 HE3 LYS 75 HE3 LYS 75 13.545 11.209 8.778 602 HZ1 LYS 75 HZ1 LYS 75 13.706 9.831 6.857 603 HZ2 LYS 75 HZ2 LYS 75 15.191 9.770 7.621 604 HZ3 LYS 75 HZ3 LYS 75 14.984 10.707 6.221 605 H1 ALA 1 H1 ALA 1 12.601 -19.957 3.617 606 H2 ALA 1 H2 ALA 1 11.069 -20.666 3.941 607 H3 ALA 1 H3 ALA 1 11.653 -19.335 4.840 608 HA ALA 1 HA ALA 1 11.122 -19.131 1.982 609 HB1 ALA 1 HB1 ALA 1 9.491 -18.219 4.368 610 HB2 ALA 1 HB2 ALA 1 9.015 -19.460 3.209 611 HB3 ALA 1 HB3 ALA 1 9.170 -17.782 2.691 612 H ARG 2 H ARG 2 11.141 -16.723 1.475 613 HA ARG 2 HA ARG 2 13.375 -15.528 2.859 614 HB2 ARG 2 HB2 ARG 2 13.361 -15.312 0.442 615 HB3 ARG 2 HB3 ARG 2 11.738 -14.633 0.473 616 HG2 ARG 2 HG2 ARG 2 12.621 -12.682 1.726 617 HG3 ARG 2 HG3 ARG 2 14.242 -13.346 1.551 618 HD2 ARG 2 HD2 ARG 2 14.159 -13.106 -0.821 619 HD3 ARG 2 HD3 ARG 2 12.440 -12.709 -0.775 620 HE ARG 2 HE ARG 2 14.106 -10.936 0.746 621 HH11 ARG 2 HH11 ARG 2 12.837 -11.517 -2.574 622 HH12 ARG 2 HH12 ARG 2 12.802 -9.822 -2.889 623 HH21 ARG 2 HH21 ARG 2 14.002 -8.568 0.067 624 HH22 ARG 2 HH22 ARG 2 13.408 -8.304 -1.519 625 H THR 3 H THR 3 13.110 -14.210 4.539 626 HA THR 3 HA THR 3 10.642 -13.352 5.484 627 HB THR 3 HB THR 3 13.382 -12.213 6.069 628 HG1 THR 3 HG1 THR 3 13.320 -13.953 7.729 629 HG21 THR 3 HG21 THR 3 10.901 -12.550 7.785 630 HG22 THR 3 HG22 THR 3 11.467 -11.030 7.095 631 HG23 THR 3 HG23 THR 3 12.433 -11.856 8.317 632 H LYS 4 H LYS 4 9.445 -11.963 4.255 633 HA LYS 4 HA LYS 4 10.563 -9.392 3.679 634 HB2 LYS 4 HB2 LYS 4 9.630 -9.295 1.415 635 HB3 LYS 4 HB3 LYS 4 10.917 -10.480 1.559 636 HG2 LYS 4 HG2 LYS 4 9.519 -12.239 1.211 637 HG3 LYS 4 HG3 LYS 4 8.122 -11.401 1.893 638 HD2 LYS 4 HD2 LYS 4 7.942 -11.695 -0.539 639 HD3 LYS 4 HD3 LYS 4 7.950 -10.003 -0.055 640 HE2 LYS 4 HE2 LYS 4 10.351 -9.890 -0.658 641 HE3 LYS 4 HE3 LYS 4 10.261 -11.562 -1.213 642 HZ1 LYS 4 HZ1 LYS 4 8.571 -10.917 -2.776 643 HZ2 LYS 4 HZ2 LYS 4 9.960 -9.924 -3.066 644 HZ3 LYS 4 HZ3 LYS 4 8.638 -9.335 -2.251 645 H GLN 5 H GLN 5 8.809 -7.936 2.843 646 HA GLN 5 HA GLN 5 6.578 -8.279 4.678 647 HB2 GLN 5 HB2 GLN 5 8.402 -6.321 4.621 648 HB3 GLN 5 HB3 GLN 5 7.222 -5.674 3.482 649 HG2 GLN 5 HG2 GLN 5 6.897 -4.908 5.704 650 HG3 GLN 5 HG3 GLN 5 5.538 -5.818 4.974 651 HE21 GLN 5 HE21 GLN 5 4.820 -7.650 6.004 652 HE22 GLN 5 HE22 GLN 5 5.466 -8.310 7.445 653 H THR 6 H THR 6 4.393 -7.613 3.931 654 HA THR 6 HA THR 6 4.164 -7.267 1.055 655 HB THR 6 HB THR 6 2.316 -8.765 0.940 656 HG1 THR 6 HG1 THR 6 1.245 -9.361 2.762 657 HG21 THR 6 HG21 THR 6 4.420 -10.188 2.577 658 HG22 THR 6 HG22 THR 6 4.438 -9.992 0.818 659 HG23 THR 6 HG23 THR 6 3.160 -10.935 1.600 660 H ALA 7 H ALA 7 1.939 -6.285 0.549 661 HA ALA 7 HA ALA 7 0.553 -4.996 2.728 662 HB1 ALA 7 HB1 ALA 7 2.276 -3.327 2.230 663 HB2 ALA 7 HB2 ALA 7 0.716 -2.741 1.640 664 HB3 ALA 7 HB3 ALA 7 1.901 -3.400 0.518 665 H ARG 8 H ARG 8 -1.376 -3.658 1.548 666 HA ARG 8 HA ARG 8 -2.895 -5.707 0.338 667 HB2 ARG 8 HB2 ARG 8 -3.518 -2.779 0.124 668 HB3 ARG 8 HB3 ARG 8 -4.588 -4.099 -0.222 669 HG2 ARG 8 HG2 ARG 8 -4.321 -4.708 2.269 670 HG3 ARG 8 HG3 ARG 8 -3.647 -3.054 2.380 671 HD2 ARG 8 HD2 ARG 8 -6.070 -3.083 2.799 672 HD3 ARG 8 HD3 ARG 8 -5.592 -2.087 1.424 673 HE ARG 8 HE ARG 8 -6.738 -4.803 1.207 674 HH11 ARG 8 HH11 ARG 8 -6.169 -1.641 -0.350 675 HH12 ARG 8 HH12 ARG 8 -7.415 -1.811 -1.487 676 HH21 ARG 8 HH21 ARG 8 -8.329 -5.078 -0.380 677 HH22 ARG 8 HH22 ARG 8 -8.717 -3.886 -1.532 678 H M3L 9 H M3L 9 -1.970 -2.652 -1.184 679 HA M3L 9 HA M3L 9 -1.835 -1.911 -3.269 680 HB2 M3L 9 1HB M3L 9 -0.534 -3.802 -4.069 681 HB3 M3L 9 2HB M3L 9 -1.999 -4.769 -4.218 682 HG2 M3L 9 1HG M3L 9 -1.573 -2.204 -5.728 683 HG3 M3L 9 2HG M3L 9 -2.830 -3.411 -5.983 684 HD2 M3L 9 1HD M3L 9 -0.513 -3.215 -7.365 685 HD3 M3L 9 2HD M3L 9 -0.088 -4.430 -6.177 686 HE2 M3L 9 1HE M3L 9 -2.496 -4.478 -8.022 687 HE3 M3L 9 2HE M3L 9 -2.192 -5.664 -6.806 688 HM11 M3L 9 1HM1 M3L 9 -0.939 -7.427 -9.967 689 HM12 M3L 9 2HM1 M3L 9 -1.979 -7.585 -8.552 690 HM13 M3L 9 3HM1 M3L 9 -2.394 -6.457 -9.787 691 HM21 M3L 9 1HM2 M3L 9 0.689 -7.304 -8.200 692 HM22 M3L 9 2HM2 M3L 9 0.132 -6.585 -6.690 693 HM23 M3L 9 3HM2 M3L 9 1.245 -5.747 -7.725 694 HM31 M3L 9 3HM3 M3L 9 0.897 -4.911 -9.560 695 HM32 M3L 9 1HM3 M3L 9 -0.574 -4.853 -10.499 696 HM33 M3L 9 2HM3 M3L 9 -0.300 -3.733 -9.193 697 H SER 10 H SER 10 -3.557 -0.750 -3.606 698 HA SER 10 HA SER 10 -6.130 -1.881 -3.281 699 HB2 SER 10 HB2 SER 10 -5.583 0.470 -2.626 700 HB3 SER 10 HB3 SER 10 -5.431 0.878 -4.336 701 HG SER 10 HG SER 10 -7.498 0.847 -4.554 702 H THR 11 H THR 11 -6.309 -3.418 -4.846 703 HA THR 11 HA THR 11 -5.808 -2.764 -7.592 704 HB THR 11 HB THR 11 -6.791 -5.381 -6.416 705 HG1 THR 11 HG1 THR 11 -4.754 -4.744 -5.549 706 HG21 THR 11 HG21 THR 11 -5.400 -4.741 -9.038 707 HG22 THR 11 HG22 THR 11 -7.106 -5.153 -8.868 708 HG23 THR 11 HG23 THR 11 -5.869 -6.350 -8.486 709 H GLY 12 H GLY 12 -7.402 -1.189 -7.799 710 HA2 GLY 12 HA2 GLY 12 -9.483 -1.675 -9.350 711 HA3 GLY 12 HA3 GLY 12 -10.171 -2.035 -7.767 712 H GLY 13 H GLY 13 -10.653 0.170 -9.765 713 HA2 GLY 13 HA2 GLY 13 -11.263 2.162 -7.952 714 HA3 GLY 13 HA3 GLY 13 -9.725 2.575 -8.713 715 H LYS 14 H LYS 14 -11.997 4.132 -9.093 716 HA LYS 14 HA LYS 14 -12.304 3.846 -11.961 717 HB2 LYS 14 HB2 LYS 14 -14.633 4.156 -10.043 718 HB3 LYS 14 HB3 LYS 14 -14.730 4.429 -11.773 719 HG2 LYS 14 HG2 LYS 14 -14.207 2.075 -12.183 720 HG3 LYS 14 HG3 LYS 14 -14.060 1.798 -10.449 721 HD2 LYS 14 HD2 LYS 14 -16.239 1.044 -11.242 722 HD3 LYS 14 HD3 LYS 14 -16.433 2.426 -10.168 723 HE2 LYS 14 HE2 LYS 14 -17.900 2.609 -12.111 724 HE3 LYS 14 HE3 LYS 14 -16.707 3.902 -12.117 725 HZ1 LYS 14 HZ1 LYS 14 -16.961 2.962 -14.311 726 HZ2 LYS 14 HZ2 LYS 14 -16.606 1.411 -13.737 727 HZ3 LYS 14 HZ3 LYS 14 -15.410 2.607 -13.729 728 H ALA 15 H ALA 15 -12.168 5.793 -12.926 729 HA ALA 15 HA ALA 15 -11.900 8.120 -11.238 730 HB1 ALA 15 HB1 ALA 15 -11.168 9.231 -13.314 731 HB2 ALA 15 HB2 ALA 15 -11.542 7.768 -14.225 732 HB3 ALA 15 HB3 ALA 15 -10.251 7.753 -13.022 733 HA PRO 16 HA PRO 16 -16.156 9.012 -12.229 734 HB2 PRO 16 HB2 PRO 16 -16.437 11.199 -10.644 735 HB3 PRO 16 HB3 PRO 16 -16.432 9.548 -9.989 736 HG2 PRO 16 HG2 PRO 16 -14.304 11.588 -9.905 737 HG3 PRO 16 HG3 PRO 16 -14.688 10.296 -8.752 738 HD2 PRO 16 HD2 PRO 16 -12.630 10.223 -10.632 739 HD3 PRO 16 HD3 PRO 16 -13.302 8.832 -9.761 740 H ARG 17 H ARG 17 -16.070 9.641 -14.344 741 HA ARG 17 HA ARG 17 -15.896 12.506 -14.815 742 HB2 ARG 17 HB2 ARG 17 -13.714 11.153 -15.468 743 HB3 ARG 17 HB3 ARG 17 -14.708 10.567 -16.790 744 HG2 ARG 17 HG2 ARG 17 -15.134 13.191 -17.109 745 HG3 ARG 17 HG3 ARG 17 -13.555 13.262 -16.333 746 HD2 ARG 17 HD2 ARG 17 -13.124 13.193 -18.657 747 HD3 ARG 17 HD3 ARG 17 -12.792 11.562 -18.066 748 HE ARG 17 HE ARG 17 -15.440 12.193 -19.156 749 HH11 ARG 17 HH11 ARG 17 -12.385 10.482 -19.632 750 HH12 ARG 17 HH12 ARG 17 -13.009 9.413 -20.814 751 HH21 ARG 17 HH21 ARG 17 -16.302 10.779 -20.668 752 HH22 ARG 17 HH22 ARG 17 -15.377 9.599 -21.459 753 H TYR 18 H TYR 18 -16.872 12.847 -17.103 754 HA TYR 18 HA TYR 18 -18.648 10.749 -17.896 755 HB2 TYR 18 HB2 TYR 18 -20.324 12.551 -18.467 756 HB3 TYR 18 HB3 TYR 18 -20.068 12.397 -16.740 757 HD1 TYR 18 HD1 TYR 18 -18.775 14.161 -15.531 758 HD2 TYR 18 HD2 TYR 18 -19.831 14.584 -19.634 759 HE1 TYR 18 HE1 TYR 18 -18.340 16.574 -15.389 760 HE2 TYR 18 HE2 TYR 18 -19.399 17.003 -19.498 761 HH TYR 18 HH TYR 18 -17.767 18.435 -16.902 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -32.136 -0.277 -6.984 2 H2 MET 1 H2 MET 1 -32.767 1.316 -6.874 3 H3 MET 1 H3 MET 1 -31.364 0.847 -6.019 4 HA MET 1 HA MET 1 -31.435 0.858 -8.932 5 HB2 MET 1 HB2 MET 1 -31.627 3.161 -7.962 6 HB3 MET 1 HB3 MET 1 -30.240 2.827 -6.943 7 HG2 MET 1 HG2 MET 1 -28.801 2.691 -8.885 8 HG3 MET 1 HG3 MET 1 -30.184 2.902 -9.956 9 HE1 MET 1 HE1 MET 1 -28.538 6.200 -7.154 10 HE2 MET 1 HE2 MET 1 -27.827 4.591 -7.298 11 HE3 MET 1 HE3 MET 1 -29.402 4.796 -6.534 12 H VAL 2 H VAL 2 -29.275 0.282 -9.743 13 HA VAL 2 HA VAL 2 -27.918 -1.408 -7.869 14 HB VAL 2 HB VAL 2 -26.479 -2.053 -9.839 15 HG11 VAL 2 HG11 VAL 2 -29.457 -2.300 -10.242 16 HG12 VAL 2 HG12 VAL 2 -28.442 -3.364 -9.269 17 HG13 VAL 2 HG13 VAL 2 -28.234 -3.305 -11.020 18 HG21 VAL 2 HG21 VAL 2 -28.390 -0.299 -11.406 19 HG22 VAL 2 HG22 VAL 2 -27.181 -1.378 -12.103 20 HG23 VAL 2 HG23 VAL 2 -26.674 0.019 -11.151 21 H SER 3 H SER 3 -26.343 -0.734 -6.626 22 HA SER 3 HA SER 3 -24.397 1.155 -7.564 23 HB2 SER 3 HB2 SER 3 -26.104 1.710 -5.106 24 HB3 SER 3 HB3 SER 3 -24.767 2.699 -5.694 25 HG SER 3 HG SER 3 -26.315 2.466 -7.725 26 H VAL 4 H VAL 4 -22.514 1.023 -6.189 27 HA VAL 4 HA VAL 4 -22.541 -1.358 -4.529 28 HB VAL 4 HB VAL 4 -20.058 -1.257 -4.603 29 HG11 VAL 4 HG11 VAL 4 -21.363 -1.194 -7.318 30 HG12 VAL 4 HG12 VAL 4 -21.215 -2.595 -6.257 31 HG13 VAL 4 HG13 VAL 4 -19.772 -1.868 -6.964 32 HG21 VAL 4 HG21 VAL 4 -19.787 1.160 -4.876 33 HG22 VAL 4 HG22 VAL 4 -20.449 1.063 -6.509 34 HG23 VAL 4 HG23 VAL 4 -18.908 0.286 -6.134 35 H LYS 5 H LYS 5 -22.282 -1.251 -2.409 36 HA LYS 5 HA LYS 5 -21.900 1.424 -1.329 37 HB2 LYS 5 HB2 LYS 5 -23.299 0.793 0.592 38 HB3 LYS 5 HB3 LYS 5 -24.164 0.445 -0.889 39 HG2 LYS 5 HG2 LYS 5 -24.639 -1.399 0.446 40 HG3 LYS 5 HG3 LYS 5 -23.291 -1.985 -0.532 41 HD2 LYS 5 HD2 LYS 5 -21.758 -1.305 1.320 42 HD3 LYS 5 HD3 LYS 5 -23.177 -0.935 2.290 43 HE2 LYS 5 HE2 LYS 5 -23.875 -3.255 2.176 44 HE3 LYS 5 HE3 LYS 5 -22.504 -3.632 1.128 45 HZ1 LYS 5 HZ1 LYS 5 -21.917 -4.223 3.368 46 HZ2 LYS 5 HZ2 LYS 5 -22.389 -2.696 3.934 47 HZ3 LYS 5 HZ3 LYS 5 -21.046 -2.820 2.937 48 HA PRO 6 HA PRO 6 -18.084 0.454 0.697 49 HB2 PRO 6 HB2 PRO 6 -19.450 0.964 3.310 50 HB3 PRO 6 HB3 PRO 6 -17.913 1.618 2.702 51 HG2 PRO 6 HG2 PRO 6 -20.032 3.144 2.682 52 HG3 PRO 6 HG3 PRO 6 -18.931 3.127 1.289 53 HD2 PRO 6 HD2 PRO 6 -21.627 1.899 1.555 54 HD3 PRO 6 HD3 PRO 6 -20.856 2.652 0.144 55 H LEU 7 H LEU 7 -17.307 -1.496 0.893 56 HA LEU 7 HA LEU 7 -18.715 -3.558 2.416 57 HB2 LEU 7 HB2 LEU 7 -16.467 -3.766 0.389 58 HB3 LEU 7 HB3 LEU 7 -17.240 -5.119 1.181 59 HG LEU 7 HG LEU 7 -18.574 -3.237 -0.771 60 HD11 LEU 7 HD11 LEU 7 -16.938 -4.677 -1.848 61 HD12 LEU 7 HD12 LEU 7 -18.578 -5.163 -2.278 62 HD13 LEU 7 HD13 LEU 7 -17.667 -6.093 -1.090 63 HD21 LEU 7 HD21 LEU 7 -19.597 -5.748 0.563 64 HD22 LEU 7 HD22 LEU 7 -20.428 -4.850 -0.706 65 HD23 LEU 7 HD23 LEU 7 -20.161 -4.103 0.869 66 HA PRO 8 HA PRO 8 -15.401 -3.351 5.437 67 HB2 PRO 8 HB2 PRO 8 -15.233 -6.290 5.563 68 HB3 PRO 8 HB3 PRO 8 -15.781 -5.166 6.821 69 HG2 PRO 8 HG2 PRO 8 -17.484 -6.807 5.592 70 HG3 PRO 8 HG3 PRO 8 -17.950 -5.179 6.122 71 HD2 PRO 8 HD2 PRO 8 -17.258 -6.128 3.376 72 HD3 PRO 8 HD3 PRO 8 -18.540 -5.016 3.904 73 H ASP 9 H ASP 9 -13.390 -2.834 4.762 74 HA ASP 9 HA ASP 9 -12.201 -4.282 2.582 75 HB2 ASP 9 HB2 ASP 9 -10.554 -2.513 2.562 76 HB3 ASP 9 HB3 ASP 9 -12.139 -1.776 2.754 77 H ILE 10 H ILE 10 -11.743 -3.818 5.998 78 HA ILE 10 HA ILE 10 -9.343 -5.407 6.048 79 HB ILE 10 HB ILE 10 -11.096 -4.561 8.376 80 HG12 ILE 10 HG12 ILE 10 -10.163 -2.611 7.198 81 HG13 ILE 10 HG13 ILE 10 -9.426 -2.794 8.782 82 HG21 ILE 10 HG21 ILE 10 -8.271 -5.633 8.367 83 HG22 ILE 10 HG22 ILE 10 -9.697 -6.513 8.871 84 HG23 ILE 10 HG23 ILE 10 -9.165 -5.100 9.797 85 HD11 ILE 10 HD11 ILE 10 -7.444 -3.791 7.720 86 HD12 ILE 10 HD12 ILE 10 -7.774 -2.163 7.130 87 HD13 ILE 10 HD13 ILE 10 -8.189 -3.557 6.137 88 H ASP 11 H ASP 11 -9.229 -7.509 6.136 89 HA ASP 11 HA ASP 11 -11.484 -9.174 5.926 90 HB2 ASP 11 HB2 ASP 11 -9.079 -9.604 5.149 91 HB3 ASP 11 HB3 ASP 11 -8.756 -10.063 6.811 92 H SER 12 H SER 12 -12.536 -10.274 7.390 93 HA SER 12 HA SER 12 -12.015 -9.631 10.194 94 HB2 SER 12 HB2 SER 12 -14.567 -10.598 8.913 95 HB3 SER 12 HB3 SER 12 -14.367 -9.985 10.559 96 HG SER 12 HG SER 12 -13.399 -8.283 8.671 97 H ASN 13 H ASN 13 -11.679 -12.188 7.983 98 HA ASN 13 HA ASN 13 -11.871 -14.110 10.180 99 HB2 ASN 13 HB2 ASN 13 -12.988 -15.763 8.925 100 HB3 ASN 13 HB3 ASN 13 -13.861 -14.287 8.597 101 HD21 ASN 13 HD21 ASN 13 -11.763 -13.388 6.458 102 HD22 ASN 13 HD22 ASN 13 -12.098 -14.454 5.188 103 H GLU 14 H GLU 14 -10.671 -16.194 9.661 104 HA GLU 14 HA GLU 14 -8.163 -15.447 8.416 105 HB2 GLU 14 HB2 GLU 14 -8.974 -17.936 9.938 106 HB3 GLU 14 HB3 GLU 14 -7.348 -17.558 9.389 107 HG2 GLU 14 HG2 GLU 14 -7.278 -15.631 10.870 108 HG3 GLU 14 HG3 GLU 14 -8.928 -15.963 11.394 109 H GLY 15 H GLY 15 -7.766 -16.046 6.393 110 HA2 GLY 15 HA2 GLY 15 -8.499 -18.523 5.281 111 HA3 GLY 15 HA3 GLY 15 -9.616 -17.270 4.742 112 H GLU 16 H GLU 16 -9.063 -16.670 2.757 113 HA GLU 16 HA GLU 16 -6.224 -16.351 2.262 114 HB2 GLU 16 HB2 GLU 16 -6.856 -16.510 -0.169 115 HB3 GLU 16 HB3 GLU 16 -7.091 -17.981 0.759 116 HG2 GLU 16 HG2 GLU 16 -9.491 -17.505 0.895 117 HG3 GLU 16 HG3 GLU 16 -9.243 -16.029 -0.036 118 H THR 17 H THR 17 -5.798 -14.364 2.816 119 HA THR 17 HA THR 17 -7.505 -12.203 1.867 120 HB THR 17 HB THR 17 -5.081 -11.947 3.656 121 HG1 THR 17 HG1 THR 17 -7.731 -12.465 4.656 122 HG21 THR 17 HG21 THR 17 -7.715 -10.446 3.513 123 HG22 THR 17 HG22 THR 17 -6.180 -9.874 2.860 124 HG23 THR 17 HG23 THR 17 -6.378 -10.071 4.602 125 H ASP 18 H ASP 18 -5.140 -14.014 0.673 126 HA ASP 18 HA ASP 18 -2.975 -12.428 -0.149 127 HB2 ASP 18 HB2 ASP 18 -3.007 -14.869 -0.283 128 HB3 ASP 18 HB3 ASP 18 -4.283 -14.804 -1.489 129 H ALA 19 H ALA 19 -6.130 -12.903 -1.493 130 HA ALA 19 HA ALA 19 -5.931 -11.755 -4.003 131 HB1 ALA 19 HB1 ALA 19 -8.332 -11.399 -3.885 132 HB2 ALA 19 HB2 ALA 19 -8.292 -11.615 -2.136 133 HB3 ALA 19 HB3 ALA 19 -7.902 -12.967 -3.200 134 H ASP 20 H ASP 20 -5.891 -10.181 -0.902 135 HA ASP 20 HA ASP 20 -6.060 -7.555 -2.218 136 HB2 ASP 20 HB2 ASP 20 -8.112 -8.094 -0.913 137 HB3 ASP 20 HB3 ASP 20 -7.127 -8.356 0.513 138 H VAL 21 H VAL 21 -3.824 -9.544 -1.170 139 HA VAL 21 HA VAL 21 -2.180 -7.423 -0.032 140 HB VAL 21 HB VAL 21 -2.378 -10.144 1.296 141 HG11 VAL 21 HG11 VAL 21 -0.820 -9.245 2.975 142 HG12 VAL 21 HG12 VAL 21 -0.688 -7.761 2.032 143 HG13 VAL 21 HG13 VAL 21 -0.118 -9.287 1.357 144 HG21 VAL 21 HG21 VAL 21 -3.223 -8.986 3.292 145 HG22 VAL 21 HG22 VAL 21 -4.287 -8.767 1.895 146 HG23 VAL 21 HG23 VAL 21 -3.213 -7.461 2.397 147 H TYR 22 H TYR 22 -0.502 -7.346 -1.274 148 HA TYR 22 HA TYR 22 0.559 -9.820 -2.452 149 HB2 TYR 22 HB2 TYR 22 0.560 -7.017 -3.553 150 HB3 TYR 22 HB3 TYR 22 1.561 -8.303 -4.211 151 HD1 TYR 22 HD1 TYR 22 -1.882 -7.082 -3.803 152 HD2 TYR 22 HD2 TYR 22 0.606 -10.080 -5.500 153 HE1 TYR 22 HE1 TYR 22 -3.748 -7.821 -5.227 154 HE2 TYR 22 HE2 TYR 22 -1.245 -10.823 -6.921 155 HH TYR 22 HH TYR 22 -3.796 -10.694 -6.770 156 H GLU 23 H GLU 23 2.895 -9.770 -2.907 157 HA GLU 23 HA GLU 23 4.301 -9.080 -0.566 158 HB2 GLU 23 HB2 GLU 23 4.993 -10.396 -3.094 159 HB3 GLU 23 HB3 GLU 23 6.289 -9.789 -2.040 160 HG2 GLU 23 HG2 GLU 23 5.641 -11.147 -0.307 161 HG3 GLU 23 HG3 GLU 23 4.094 -11.533 -1.055 162 H VAL 24 H VAL 24 5.797 -7.754 -0.178 163 HA VAL 24 HA VAL 24 6.167 -5.514 -2.021 164 HB VAL 24 HB VAL 24 6.493 -5.606 0.991 165 HG11 VAL 24 HG11 VAL 24 7.036 -3.316 -0.906 166 HG12 VAL 24 HG12 VAL 24 8.237 -4.167 0.081 167 HG13 VAL 24 HG13 VAL 24 6.966 -3.212 0.853 168 HG21 VAL 24 HG21 VAL 24 4.216 -5.459 0.188 169 HG22 VAL 24 HG22 VAL 24 4.649 -4.071 -0.808 170 HG23 VAL 24 HG23 VAL 24 4.720 -3.953 0.949 171 H GLU 25 H GLU 25 7.926 -5.653 -3.228 172 HA GLU 25 HA GLU 25 10.292 -6.997 -2.406 173 HB2 GLU 25 HB2 GLU 25 9.505 -5.215 -4.667 174 HB3 GLU 25 HB3 GLU 25 11.239 -5.505 -4.417 175 HG2 GLU 25 HG2 GLU 25 10.778 -7.901 -4.740 176 HG3 GLU 25 HG3 GLU 25 9.067 -7.501 -4.915 177 H ASP 26 H ASP 26 9.539 -3.496 -2.877 178 HA ASP 26 HA ASP 26 10.438 -2.684 -0.381 179 HB2 ASP 26 HB2 ASP 26 12.692 -3.366 -1.685 180 HB3 ASP 26 HB3 ASP 26 12.487 -1.756 -2.373 181 H ILE 27 H ILE 27 11.083 -0.128 -0.664 182 HA ILE 27 HA ILE 27 8.821 0.950 -2.226 183 HB ILE 27 HB ILE 27 10.496 2.600 -0.295 184 HG12 ILE 27 HG12 ILE 27 9.791 0.632 1.034 185 HG13 ILE 27 HG13 ILE 27 8.962 2.086 1.561 186 HG21 ILE 27 HG21 ILE 27 8.940 3.803 -1.727 187 HG22 ILE 27 HG22 ILE 27 8.428 3.909 -0.049 188 HG23 ILE 27 HG23 ILE 27 7.605 2.817 -1.148 189 HD11 ILE 27 HD11 ILE 27 6.963 1.366 0.351 190 HD12 ILE 27 HD12 ILE 27 7.477 0.170 1.541 191 HD13 ILE 27 HD13 ILE 27 7.811 -0.089 -0.172 192 H LEU 28 H LEU 28 9.275 2.505 -3.779 193 HA LEU 28 HA LEU 28 12.120 2.718 -4.474 194 HB2 LEU 28 HB2 LEU 28 9.693 2.986 -6.218 195 HB3 LEU 28 HB3 LEU 28 11.344 3.192 -6.780 196 HG LEU 28 HG LEU 28 10.120 0.639 -5.713 197 HD11 LEU 28 HD11 LEU 28 10.922 1.432 -8.502 198 HD12 LEU 28 HD12 LEU 28 9.276 1.224 -7.907 199 HD13 LEU 28 HD13 LEU 28 10.362 -0.164 -8.008 200 HD21 LEU 28 HD21 LEU 28 12.873 1.160 -6.845 201 HD22 LEU 28 HD22 LEU 28 12.211 -0.424 -6.455 202 HD23 LEU 28 HD23 LEU 28 12.496 0.747 -5.170 203 H ALA 29 H ALA 29 9.300 4.621 -3.734 204 HA ALA 29 HA ALA 29 10.771 6.964 -3.243 205 HB1 ALA 29 HB1 ALA 29 9.807 8.416 -4.994 206 HB2 ALA 29 HB2 ALA 29 9.054 7.009 -5.745 207 HB3 ALA 29 HB3 ALA 29 10.811 7.151 -5.706 208 H ASP 30 H ASP 30 8.966 8.874 -3.066 209 HA ASP 30 HA ASP 30 6.446 7.747 -2.290 210 HB2 ASP 30 HB2 ASP 30 6.373 8.954 -0.119 211 HB3 ASP 30 HB3 ASP 30 7.631 7.732 -0.179 212 H ARG 31 H ARG 31 4.942 9.571 -1.590 213 HA ARG 31 HA ARG 31 5.347 12.130 -2.799 214 HB2 ARG 31 HB2 ARG 31 4.903 10.639 -4.800 215 HB3 ARG 31 HB3 ARG 31 3.345 10.243 -4.103 216 HG2 ARG 31 HG2 ARG 31 2.632 12.557 -4.313 217 HG3 ARG 31 HG3 ARG 31 4.221 13.007 -4.933 218 HD2 ARG 31 HD2 ARG 31 2.674 12.777 -6.776 219 HD3 ARG 31 HD3 ARG 31 3.866 11.484 -6.849 220 HE ARG 31 HE ARG 31 1.354 10.890 -5.507 221 HH11 ARG 31 HH11 ARG 31 3.246 10.591 -8.476 222 HH12 ARG 31 HH12 ARG 31 2.279 9.340 -9.142 223 HH21 ARG 31 HH21 ARG 31 0.044 9.255 -6.371 224 HH22 ARG 31 HH22 ARG 31 0.334 8.537 -7.875 225 H VAL 32 H VAL 32 3.301 13.455 -2.485 226 HA VAL 32 HA VAL 32 1.491 12.329 -0.500 227 HB VAL 32 HB VAL 32 2.748 15.095 -0.277 228 HG11 VAL 32 HG11 VAL 32 0.986 13.592 1.648 229 HG12 VAL 32 HG12 VAL 32 0.522 14.980 0.666 230 HG13 VAL 32 HG13 VAL 32 1.721 15.167 1.948 231 HG21 VAL 32 HG21 VAL 32 3.375 12.654 1.390 232 HG22 VAL 32 HG22 VAL 32 3.983 14.283 1.690 233 HG23 VAL 32 HG23 VAL 32 4.455 13.420 0.225 234 H ASN 33 H ASN 33 -0.565 13.057 -0.802 235 HA ASN 33 HA ASN 33 -1.214 14.490 -3.262 236 HB2 ASN 33 HB2 ASN 33 -2.901 13.384 -1.006 237 HB3 ASN 33 HB3 ASN 33 -3.579 14.289 -2.337 238 HD21 ASN 33 HD21 ASN 33 -2.059 11.294 -1.365 239 HD22 ASN 33 HD22 ASN 33 -2.539 10.413 -2.758 240 H LYS 34 H LYS 34 -2.960 16.234 -2.997 241 HA LYS 34 HA LYS 34 -2.082 18.122 -0.976 242 HB2 LYS 34 HB2 LYS 34 -2.392 19.009 -3.238 243 HB3 LYS 34 HB3 LYS 34 -4.054 18.439 -3.266 244 HG2 LYS 34 HG2 LYS 34 -3.976 20.841 -2.903 245 HG3 LYS 34 HG3 LYS 34 -4.631 20.021 -1.487 246 HD2 LYS 34 HD2 LYS 34 -2.215 20.100 -0.574 247 HD3 LYS 34 HD3 LYS 34 -1.926 21.287 -1.847 248 HE2 LYS 34 HE2 LYS 34 -2.482 22.407 0.227 249 HE3 LYS 34 HE3 LYS 34 -3.775 22.651 -0.950 250 HZ1 LYS 34 HZ1 LYS 34 -4.635 22.083 1.278 251 HZ2 LYS 34 HZ2 LYS 34 -3.824 20.594 1.202 252 HZ3 LYS 34 HZ3 LYS 34 -5.060 20.917 0.132 253 H ASN 35 H ASN 35 -4.634 15.946 -1.614 254 HA ASN 35 HA ASN 35 -6.608 16.988 0.107 255 HB2 ASN 35 HB2 ASN 35 -6.833 15.340 -1.835 256 HB3 ASN 35 HB3 ASN 35 -6.250 14.116 -0.727 257 HD21 ASN 35 HD21 ASN 35 -8.712 14.374 -2.135 258 HD22 ASN 35 HD22 ASN 35 -9.995 14.321 -0.977 259 H GLY 36 H GLY 36 -3.645 15.225 0.702 260 HA2 GLY 36 HA2 GLY 36 -2.853 15.259 2.981 261 HA3 GLY 36 HA3 GLY 36 -4.508 15.007 3.505 262 H ILE 37 H ILE 37 -3.245 13.133 0.831 263 HA ILE 37 HA ILE 37 -3.109 10.790 2.613 264 HB ILE 37 HB ILE 37 -3.670 10.825 -0.386 265 HG12 ILE 37 HG12 ILE 37 -5.908 9.759 0.405 266 HG13 ILE 37 HG13 ILE 37 -5.500 10.563 1.923 267 HG21 ILE 37 HG21 ILE 37 -3.716 8.538 1.539 268 HG22 ILE 37 HG22 ILE 37 -2.519 8.849 0.273 269 HG23 ILE 37 HG23 ILE 37 -4.197 8.476 -0.161 270 HD11 ILE 37 HD11 ILE 37 -5.797 11.908 -0.737 271 HD12 ILE 37 HD12 ILE 37 -5.478 12.699 0.812 272 HD13 ILE 37 HD13 ILE 37 -7.024 11.889 0.531 273 H ASN 38 H ASN 38 -1.192 9.726 2.554 274 HA ASN 38 HA ASN 38 0.883 10.846 0.820 275 HB2 ASN 38 HB2 ASN 38 1.136 8.873 3.116 276 HB3 ASN 38 HB3 ASN 38 2.478 9.567 2.219 277 HD21 ASN 38 HD21 ASN 38 -0.039 10.148 4.525 278 HD22 ASN 38 HD22 ASN 38 0.608 11.620 5.171 279 H GLU 39 H GLU 39 2.236 9.354 -0.385 280 HA GLU 39 HA GLU 39 0.900 6.827 -1.104 281 HB2 GLU 39 HB2 GLU 39 2.011 8.867 -3.020 282 HB3 GLU 39 HB3 GLU 39 1.198 7.368 -3.422 283 HG2 GLU 39 HG2 GLU 39 -0.897 8.229 -2.726 284 HG3 GLU 39 HG3 GLU 39 -0.133 9.645 -1.995 285 H TYR 40 H TYR 40 2.443 5.285 -1.706 286 HA TYR 40 HA TYR 40 5.197 6.312 -1.948 287 HB2 TYR 40 HB2 TYR 40 4.439 3.700 -0.640 288 HB3 TYR 40 HB3 TYR 40 6.029 4.456 -0.677 289 HD1 TYR 40 HD1 TYR 40 6.425 6.512 0.682 290 HD2 TYR 40 HD2 TYR 40 2.829 4.291 0.978 291 HE1 TYR 40 HE1 TYR 40 5.934 7.614 2.824 292 HE2 TYR 40 HE2 TYR 40 2.317 5.388 3.127 293 HH TYR 40 HH TYR 40 3.318 6.576 4.854 294 H TYR 41 H TYR 41 6.457 5.200 -3.400 295 HA TYR 41 HA TYR 41 5.038 3.814 -5.494 296 HB2 TYR 41 HB2 TYR 41 6.879 5.629 -5.735 297 HB3 TYR 41 HB3 TYR 41 8.008 4.337 -5.376 298 HD1 TYR 41 HD2 TYR 41 4.960 3.881 -7.451 299 HD2 TYR 41 HD1 TYR 41 9.178 4.452 -7.453 300 HE1 TYR 41 HE2 TYR 41 5.029 3.352 -9.833 301 HE2 TYR 41 HE1 TYR 41 9.245 3.924 -9.842 302 HH TYR 41 HH TYR 41 7.794 2.580 -11.402 303 H ILE 42 H ILE 42 4.586 1.719 -4.976 304 HA ILE 42 HA ILE 42 6.548 0.231 -3.391 305 HB ILE 42 HB ILE 42 3.765 -0.681 -4.136 306 HG12 ILE 42 HG12 ILE 42 3.559 1.454 -2.908 307 HG13 ILE 42 HG13 ILE 42 2.984 0.103 -1.944 308 HG21 ILE 42 HG21 ILE 42 5.643 -1.498 -1.914 309 HG22 ILE 42 HG22 ILE 42 5.280 -2.426 -3.369 310 HG23 ILE 42 HG23 ILE 42 4.018 -2.138 -2.171 311 HD11 ILE 42 HD11 ILE 42 5.100 0.122 -0.707 312 HD12 ILE 42 HD12 ILE 42 4.228 1.648 -0.592 313 HD13 ILE 42 HD13 ILE 42 5.626 1.511 -1.660 314 H LYS 43 H LYS 43 7.735 -1.375 -4.288 315 HA LYS 43 HA LYS 43 6.927 -2.309 -6.913 316 HB2 LYS 43 HB2 LYS 43 9.313 -1.709 -6.763 317 HB3 LYS 43 HB3 LYS 43 9.526 -2.848 -5.438 318 HG2 LYS 43 HG2 LYS 43 10.358 -3.809 -7.519 319 HG3 LYS 43 HG3 LYS 43 8.963 -4.712 -6.936 320 HD2 LYS 43 HD2 LYS 43 7.544 -3.390 -8.515 321 HD3 LYS 43 HD3 LYS 43 9.027 -2.694 -9.189 322 HE2 LYS 43 HE2 LYS 43 8.389 -4.474 -10.622 323 HE3 LYS 43 HE3 LYS 43 9.731 -5.088 -9.662 324 HZ1 LYS 43 HZ1 LYS 43 7.891 -6.688 -9.862 325 HZ2 LYS 43 HZ2 LYS 43 6.845 -5.638 -9.095 326 HZ3 LYS 43 HZ3 LYS 43 8.206 -6.275 -8.272 327 H TRP 44 H TRP 44 5.435 -3.790 -6.758 328 HA TRP 44 HA TRP 44 5.234 -5.508 -4.510 329 HB2 TRP 44 HB2 TRP 44 3.688 -5.493 -7.083 330 HB3 TRP 44 HB3 TRP 44 3.243 -6.339 -5.602 331 HD1 TRP 44 HD1 TRP 44 3.055 -2.963 -7.281 332 HE1 TRP 44 HE1 TRP 44 1.744 -1.332 -5.734 333 HE3 TRP 44 HE3 TRP 44 2.825 -5.830 -3.082 334 HZ2 TRP 44 HZ2 TRP 44 0.797 -1.289 -3.116 335 HZ3 TRP 44 HZ3 TRP 44 1.707 -4.932 -1.109 336 HH2 TRP 44 HH2 TRP 44 0.710 -2.705 -1.119 337 H ALA 45 H ALA 45 5.994 -7.446 -4.300 338 HA ALA 45 HA ALA 45 7.536 -8.634 -6.434 339 HB1 ALA 45 HB1 ALA 45 8.419 -10.117 -4.826 340 HB2 ALA 45 HB2 ALA 45 6.995 -9.993 -3.846 341 HB3 ALA 45 HB3 ALA 45 8.134 -8.663 -3.835 342 H GLY 46 H GLY 46 7.093 -10.876 -7.084 343 HA2 GLY 46 HA2 GLY 46 5.709 -12.786 -7.238 344 HA3 GLY 46 HA3 GLY 46 4.446 -11.899 -6.391 345 H TYR 47 H TYR 47 4.988 -9.563 -8.222 346 HA TYR 47 HA TYR 47 3.303 -10.590 -10.387 347 HB2 TYR 47 HB2 TYR 47 2.776 -8.459 -8.776 348 HB3 TYR 47 HB3 TYR 47 3.608 -7.671 -10.122 349 HD1 TYR 47 HD2 TYR 47 1.425 -10.408 -10.123 350 HD2 TYR 47 HD1 TYR 47 2.016 -6.614 -11.345 351 HE1 TYR 47 HE2 TYR 47 -0.729 -10.562 -11.438 352 HE2 TYR 47 HE1 TYR 47 -0.012 -6.629 -12.752 353 HH TYR 47 HH TYR 47 -2.340 -9.135 -12.523 354 H ASP 48 H ASP 48 3.486 -9.075 -12.183 355 HA ASP 48 HA ASP 48 5.977 -9.449 -13.486 356 HB2 ASP 48 HB2 ASP 48 4.013 -9.137 -14.853 357 HB3 ASP 48 HB3 ASP 48 3.781 -7.497 -14.224 358 H TRP 49 H TRP 49 7.563 -8.022 -14.125 359 HA TRP 49 HA TRP 49 8.589 -6.511 -11.973 360 HB2 TRP 49 HB2 TRP 49 9.563 -6.663 -14.822 361 HB3 TRP 49 HB3 TRP 49 10.483 -6.055 -13.445 362 HD1 TRP 49 HD1 TRP 49 9.294 -9.283 -15.061 363 HE1 TRP 49 HE1 TRP 49 10.449 -11.272 -13.919 364 HE3 TRP 49 HE3 TRP 49 11.493 -6.808 -11.163 365 HZ2 TRP 49 HZ2 TRP 49 12.081 -11.738 -11.649 366 HZ3 TRP 49 HZ3 TRP 49 12.826 -8.097 -9.547 367 HH2 TRP 49 HH2 TRP 49 13.113 -10.509 -9.785 368 H TYR 50 H TYR 50 6.584 -5.556 -14.631 369 HA TYR 50 HA TYR 50 7.315 -2.753 -14.326 370 HB2 TYR 50 HB2 TYR 50 5.532 -4.143 -16.340 371 HB3 TYR 50 HB3 TYR 50 5.921 -2.428 -16.344 372 HD1 TYR 50 HD2 TYR 50 8.184 -1.675 -16.959 373 HD2 TYR 50 HD1 TYR 50 7.116 -5.789 -17.116 374 HE1 TYR 50 HE2 TYR 50 10.165 -2.135 -18.343 375 HE2 TYR 50 HE1 TYR 50 9.093 -6.259 -18.497 376 HH TYR 50 HH TYR 50 10.591 -5.092 -19.977 377 H ASP 51 H ASP 51 5.699 -4.422 -12.324 378 HA ASP 51 HA ASP 51 3.004 -3.440 -12.666 379 HB2 ASP 51 HB2 ASP 51 2.378 -4.866 -11.053 380 HB3 ASP 51 HB3 ASP 51 3.680 -5.788 -11.838 381 H ASN 52 H ASN 52 5.756 -2.526 -10.955 382 HA ASN 52 HA ASN 52 4.897 -1.555 -8.528 383 HB2 ASN 52 HB2 ASN 52 6.771 0.030 -8.553 384 HB3 ASN 52 HB3 ASN 52 7.252 -1.537 -9.157 385 HD21 ASN 52 HD21 ASN 52 5.887 -0.740 -11.837 386 HD22 ASN 52 HD22 ASN 52 7.066 0.268 -12.580 387 H THR 53 H THR 53 3.878 0.188 -7.688 388 HA THR 53 HA THR 53 3.004 2.322 -9.377 389 HB THR 53 HB THR 53 1.298 0.876 -10.012 390 HG1 THR 53 HG1 THR 53 -0.160 1.708 -7.815 391 HG21 THR 53 HG21 THR 53 0.054 -0.649 -8.542 392 HG22 THR 53 HG22 THR 53 1.062 -0.120 -7.194 393 HG23 THR 53 HG23 THR 53 1.791 -0.994 -8.547 394 H TRP 54 H TRP 54 1.404 3.681 -7.950 395 HA TRP 54 HA TRP 54 2.778 4.109 -5.380 396 HB2 TRP 54 HB2 TRP 54 0.839 5.950 -6.804 397 HB3 TRP 54 HB3 TRP 54 1.809 6.334 -5.391 398 HD1 TRP 54 HD1 TRP 54 2.120 5.752 -9.163 399 HE1 TRP 54 HE1 TRP 54 4.271 6.835 -9.995 400 HE3 TRP 54 HE3 TRP 54 4.134 7.133 -4.643 401 HZ2 TRP 54 HZ2 TRP 54 6.526 8.152 -8.901 402 HZ3 TRP 54 HZ3 TRP 54 6.278 8.309 -4.650 403 HH2 TRP 54 HH2 TRP 54 7.454 8.804 -6.724 404 H GLU 55 H GLU 55 1.721 3.653 -3.531 405 HA GLU 55 HA GLU 55 -1.197 3.434 -3.633 406 HB2 GLU 55 HB2 GLU 55 0.763 1.390 -2.622 407 HB3 GLU 55 HB3 GLU 55 -0.794 1.532 -1.835 408 HG2 GLU 55 HG2 GLU 55 -0.907 -0.258 -3.421 409 HG3 GLU 55 HG3 GLU 55 -1.883 1.067 -4.013 410 HA PRO 56 HA PRO 56 -1.106 5.960 -0.022 411 HB2 PRO 56 HB2 PRO 56 -3.394 5.169 1.223 412 HB3 PRO 56 HB3 PRO 56 -3.409 6.126 -0.283 413 HG2 PRO 56 HG2 PRO 56 -3.789 3.202 0.096 414 HG3 PRO 56 HG3 PRO 56 -4.678 4.331 -0.948 415 HD2 PRO 56 HD2 PRO 56 -2.762 2.713 -1.913 416 HD3 PRO 56 HD3 PRO 56 -3.067 4.332 -2.571 417 H GLU 57 H GLU 57 -1.209 5.917 2.381 418 HA GLU 57 HA GLU 57 0.681 4.125 3.423 419 HB2 GLU 57 HB2 GLU 57 -1.248 5.600 5.206 420 HB3 GLU 57 HB3 GLU 57 0.436 5.222 5.497 421 HG2 GLU 57 HG2 GLU 57 0.585 7.456 5.110 422 HG3 GLU 57 HG3 GLU 57 0.792 6.848 3.468 423 H GLN 58 H GLN 58 -2.694 4.129 3.237 424 HA GLN 58 HA GLN 58 -3.607 2.453 5.261 425 HB2 GLN 58 HB2 GLN 58 -4.612 2.618 2.422 426 HB3 GLN 58 HB3 GLN 58 -5.530 2.098 3.826 427 HG2 GLN 58 HG2 GLN 58 -5.522 4.304 4.738 428 HG3 GLN 58 HG3 GLN 58 -4.382 4.864 3.516 429 HE21 GLN 58 HE21 GLN 58 -7.676 3.962 4.150 430 HE22 GLN 58 HE22 GLN 58 -8.310 4.648 2.684 431 H ASN 59 H ASN 59 -1.888 1.732 2.314 432 HA ASN 59 HA ASN 59 -2.592 -1.088 2.358 433 HB2 ASN 59 HB2 ASN 59 -0.943 0.617 0.551 434 HB3 ASN 59 HB3 ASN 59 -0.853 -1.133 0.472 435 HD21 ASN 59 HD21 ASN 59 -3.878 0.501 1.225 436 HD22 ASN 59 HD22 ASN 59 -4.570 0.114 -0.327 437 H LEU 60 H LEU 60 -0.187 0.843 3.841 438 HA LEU 60 HA LEU 60 1.814 -1.223 3.492 439 HB2 LEU 60 HB2 LEU 60 2.092 1.641 4.282 440 HB3 LEU 60 HB3 LEU 60 3.379 0.492 4.584 441 HG LEU 60 HG LEU 60 3.358 -0.029 2.122 442 HD11 LEU 60 HD11 LEU 60 2.440 1.632 0.587 443 HD12 LEU 60 HD12 LEU 60 1.666 2.449 1.946 444 HD13 LEU 60 HD13 LEU 60 1.186 0.809 1.513 445 HD21 LEU 60 HD21 LEU 60 4.653 1.955 1.513 446 HD22 LEU 60 HD22 LEU 60 5.075 1.327 3.103 447 HD23 LEU 60 HD23 LEU 60 4.056 2.764 2.961 448 H PHE 61 H PHE 61 -0.402 -1.330 5.471 449 HA PHE 61 HA PHE 61 0.495 -1.157 8.103 450 HB2 PHE 61 HB2 PHE 61 -1.336 -2.562 8.731 451 HB3 PHE 61 HB3 PHE 61 -1.874 -1.666 7.321 452 HD1 PHE 61 HD1 PHE 61 -1.523 -2.950 5.004 453 HD2 PHE 61 HD2 PHE 61 -1.698 -4.826 8.824 454 HE1 PHE 61 HE1 PHE 61 -2.092 -5.091 3.934 455 HE2 PHE 61 HE2 PHE 61 -2.266 -6.963 7.752 456 HZ PHE 61 HZ PHE 61 -2.465 -7.095 5.304 457 H GLY 62 H GLY 62 1.256 -3.550 5.727 458 HA2 GLY 62 HA2 GLY 62 2.477 -5.314 7.715 459 HA3 GLY 62 HA3 GLY 62 2.168 -5.722 6.034 460 H ALA 63 H ALA 63 3.337 -2.905 5.484 461 HA ALA 63 HA ALA 63 6.026 -3.916 4.813 462 HB1 ALA 63 HB1 ALA 63 4.462 -1.507 3.886 463 HB2 ALA 63 HB2 ALA 63 4.576 -3.049 3.034 464 HB3 ALA 63 HB3 ALA 63 6.015 -2.056 3.252 465 H GLU 64 H GLU 64 5.275 -3.096 7.462 466 HA GLU 64 HA GLU 64 6.134 -0.573 8.138 467 HB2 GLU 64 HB2 GLU 64 6.005 -3.131 9.650 468 HB3 GLU 64 HB3 GLU 64 6.546 -1.636 10.428 469 HG2 GLU 64 HG2 GLU 64 3.896 -2.065 9.054 470 HG3 GLU 64 HG3 GLU 64 4.161 -2.078 10.801 471 H LYS 65 H LYS 65 8.116 -3.497 7.799 472 HA LYS 65 HA LYS 65 10.491 -2.362 8.865 473 HB2 LYS 65 HB2 LYS 65 10.361 -4.440 6.664 474 HB3 LYS 65 HB3 LYS 65 11.791 -4.020 7.577 475 HG2 LYS 65 HG2 LYS 65 10.473 -4.825 9.629 476 HG3 LYS 65 HG3 LYS 65 9.376 -5.563 8.453 477 HD2 LYS 65 HD2 LYS 65 11.370 -6.673 7.404 478 HD3 LYS 65 HD3 LYS 65 12.344 -6.069 8.741 479 HE2 LYS 65 HE2 LYS 65 11.826 -8.246 9.389 480 HE3 LYS 65 HE3 LYS 65 10.628 -7.277 10.242 481 HZ1 LYS 65 HZ1 LYS 65 9.460 -9.076 9.288 482 HZ2 LYS 65 HZ2 LYS 65 10.289 -8.952 7.849 483 HZ3 LYS 65 HZ3 LYS 65 9.133 -7.776 8.225 484 H VAL 66 H VAL 66 9.407 -2.652 5.533 485 HA VAL 66 HA VAL 66 11.603 -1.221 4.509 486 HB VAL 66 HB VAL 66 10.236 -1.196 2.326 487 HG11 VAL 66 HG11 VAL 66 11.989 -2.848 2.796 488 HG12 VAL 66 HG12 VAL 66 10.640 -3.592 1.939 489 HG13 VAL 66 HG13 VAL 66 10.822 -3.835 3.675 490 HG21 VAL 66 HG21 VAL 66 8.390 -2.759 2.211 491 HG22 VAL 66 HG22 VAL 66 8.037 -1.431 3.321 492 HG23 VAL 66 HG23 VAL 66 8.483 -3.016 3.953 493 H LEU 67 H LEU 67 8.318 -0.232 5.313 494 HA LEU 67 HA LEU 67 8.492 2.343 4.177 495 HB2 LEU 67 HB2 LEU 67 6.358 1.344 4.753 496 HB3 LEU 67 HB3 LEU 67 6.800 1.297 6.441 497 HG LEU 67 HG LEU 67 6.751 3.741 6.551 498 HD11 LEU 67 HD11 LEU 67 5.911 3.597 3.662 499 HD12 LEU 67 HD12 LEU 67 7.410 4.286 4.289 500 HD13 LEU 67 HD13 LEU 67 5.864 5.042 4.668 501 HD21 LEU 67 HD21 LEU 67 4.716 2.502 7.054 502 HD22 LEU 67 HD22 LEU 67 4.263 2.532 5.351 503 HD23 LEU 67 HD23 LEU 67 4.332 4.036 6.271 504 H LYS 68 H LYS 68 9.076 1.162 7.466 505 HA LYS 68 HA LYS 68 9.761 3.707 8.426 506 HB2 LYS 68 HB2 LYS 68 9.932 0.966 9.573 507 HB3 LYS 68 HB3 LYS 68 10.916 2.220 10.310 508 HG2 LYS 68 HG2 LYS 68 8.760 1.936 11.462 509 HG3 LYS 68 HG3 LYS 68 8.943 3.549 10.790 510 HD2 LYS 68 HD2 LYS 68 7.513 2.875 8.878 511 HD3 LYS 68 HD3 LYS 68 7.307 1.288 9.620 512 HE2 LYS 68 HE2 LYS 68 6.265 2.320 11.572 513 HE3 LYS 68 HE3 LYS 68 6.507 3.917 10.871 514 HZ1 LYS 68 HZ1 LYS 68 4.933 3.311 9.078 515 HZ2 LYS 68 HZ2 LYS 68 4.211 2.920 10.592 516 HZ3 LYS 68 HZ3 LYS 68 4.862 1.758 9.688 517 H LYS 69 H LYS 69 11.701 1.106 7.103 518 HA LYS 69 HA LYS 69 14.265 2.167 7.542 519 HB2 LYS 69 HB2 LYS 69 13.871 -0.055 6.585 520 HB3 LYS 69 HB3 LYS 69 13.166 0.677 5.153 521 HG2 LYS 69 HG2 LYS 69 15.489 1.852 4.946 522 HG3 LYS 69 HG3 LYS 69 16.034 0.551 6.001 523 HD2 LYS 69 HD2 LYS 69 16.406 -0.087 3.691 524 HD3 LYS 69 HD3 LYS 69 15.117 -1.091 4.359 525 HE2 LYS 69 HE2 LYS 69 13.424 0.233 3.243 526 HE3 LYS 69 HE3 LYS 69 14.627 1.414 2.736 527 HZ1 LYS 69 HZ1 LYS 69 14.494 -1.422 1.790 528 HZ2 LYS 69 HZ2 LYS 69 15.540 -0.237 1.201 529 HZ3 LYS 69 HZ3 LYS 69 13.894 -0.127 1.001 530 H TRP 70 H TRP 70 12.003 2.574 4.825 531 HA TRP 70 HA TRP 70 13.578 4.225 3.244 532 HB2 TRP 70 HB2 TRP 70 11.718 3.116 2.215 533 HB3 TRP 70 HB3 TRP 70 10.580 3.843 3.346 534 HD1 TRP 70 HD1 TRP 70 9.649 6.216 2.787 535 HE1 TRP 70 HE1 TRP 70 9.932 7.852 0.846 536 HE3 TRP 70 HE3 TRP 70 13.465 3.859 0.331 537 HZ2 TRP 70 HZ2 TRP 70 11.539 8.092 -1.466 538 HZ3 TRP 70 HZ3 TRP 70 14.311 4.860 -1.749 539 HH2 TRP 70 HH2 TRP 70 13.366 6.933 -2.629 540 H LYS 71 H LYS 71 10.805 5.151 5.256 541 HA LYS 71 HA LYS 71 11.416 7.819 4.757 542 HB2 LYS 71 HB2 LYS 71 9.079 6.972 5.220 543 HB3 LYS 71 HB3 LYS 71 9.499 6.999 6.929 544 HG2 LYS 71 HG2 LYS 71 9.543 9.307 7.035 545 HG3 LYS 71 HG3 LYS 71 10.063 9.406 5.345 546 HD2 LYS 71 HD2 LYS 71 7.268 8.633 6.128 547 HD3 LYS 71 HD3 LYS 71 7.759 10.296 5.798 548 HE2 LYS 71 HE2 LYS 71 7.862 7.951 3.879 549 HE3 LYS 71 HE3 LYS 71 6.819 9.366 3.784 550 HZ1 LYS 71 HZ1 LYS 71 9.794 9.437 3.531 551 HZ2 LYS 71 HZ2 LYS 71 8.815 10.762 3.383 552 HZ3 LYS 71 HZ3 LYS 71 8.741 9.547 2.246 553 H LYS 72 H LYS 72 12.636 5.744 7.064 554 HA LYS 72 HA LYS 72 13.594 7.616 8.955 555 HB2 LYS 72 HB2 LYS 72 13.701 5.077 9.135 556 HB3 LYS 72 HB3 LYS 72 15.003 5.131 7.974 557 HG2 LYS 72 HG2 LYS 72 15.926 4.881 10.171 558 HG3 LYS 72 HG3 LYS 72 16.338 6.481 9.558 559 HD2 LYS 72 HD2 LYS 72 15.660 6.540 11.925 560 HD3 LYS 72 HD3 LYS 72 14.566 7.479 10.913 561 HE2 LYS 72 HE2 LYS 72 13.341 6.147 12.571 562 HE3 LYS 72 HE3 LYS 72 12.961 5.651 10.923 563 HZ1 LYS 72 HZ1 LYS 72 13.274 3.752 12.394 564 HZ2 LYS 72 HZ2 LYS 72 14.853 4.242 12.750 565 HZ3 LYS 72 HZ3 LYS 72 14.443 3.764 11.178 566 H ARG 73 H ARG 73 14.932 6.285 5.916 567 HA ARG 73 HA ARG 73 17.187 8.080 6.044 568 HB2 ARG 73 HB2 ARG 73 16.365 6.155 3.882 569 HB3 ARG 73 HB3 ARG 73 17.866 7.065 3.910 570 HG2 ARG 73 HG2 ARG 73 17.037 5.010 5.968 571 HG3 ARG 73 HG3 ARG 73 18.151 4.723 4.637 572 HD2 ARG 73 HD2 ARG 73 19.423 5.089 6.662 573 HD3 ARG 73 HD3 ARG 73 19.661 6.462 5.589 574 HE ARG 73 HE ARG 73 17.546 6.930 7.408 575 HH11 ARG 73 HH11 ARG 73 21.070 6.798 7.319 576 HH12 ARG 73 HH12 ARG 73 21.333 7.976 8.515 577 HH21 ARG 73 HH21 ARG 73 17.857 8.602 9.056 578 HH22 ARG 73 HH22 ARG 73 19.429 9.037 9.545 579 H LYS 74 H LYS 74 14.062 8.163 4.469 580 HA LYS 74 HA LYS 74 14.861 10.712 3.237 581 HB2 LYS 74 HB2 LYS 74 14.812 8.880 1.524 582 HB3 LYS 74 HB3 LYS 74 13.142 8.563 1.931 583 HG2 LYS 74 HG2 LYS 74 14.089 11.203 0.781 584 HG3 LYS 74 HG3 LYS 74 13.549 9.856 -0.215 585 HD2 LYS 74 HD2 LYS 74 11.345 9.957 0.788 586 HD3 LYS 74 HD3 LYS 74 11.884 11.188 1.921 587 HE2 LYS 74 HE2 LYS 74 12.324 12.677 -0.043 588 HE3 LYS 74 HE3 LYS 74 11.567 11.453 -1.064 589 HZ1 LYS 74 HZ1 LYS 74 10.268 12.799 1.240 590 HZ2 LYS 74 HZ2 LYS 74 9.506 11.706 0.173 591 HZ3 LYS 74 HZ3 LYS 74 9.988 13.214 -0.369 592 H LYS 75 H LYS 75 13.535 12.358 3.669 593 HA LYS 75 HA LYS 75 11.131 11.838 5.218 594 HB2 LYS 75 HB2 LYS 75 12.530 14.455 4.567 595 HB3 LYS 75 HB3 LYS 75 11.176 14.262 5.677 596 HG2 LYS 75 HG2 LYS 75 13.872 12.978 6.019 597 HG3 LYS 75 HG3 LYS 75 13.353 14.462 6.817 598 HD2 LYS 75 HD2 LYS 75 11.864 13.359 8.195 599 HD3 LYS 75 HD3 LYS 75 11.664 12.000 7.092 600 HE2 LYS 75 HE2 LYS 75 14.161 12.610 8.655 601 HE3 LYS 75 HE3 LYS 75 12.947 11.407 9.104 602 HZ1 LYS 75 HZ1 LYS 75 14.523 11.383 6.578 603 HZ2 LYS 75 HZ2 LYS 75 13.351 10.260 7.035 604 HZ3 LYS 75 HZ3 LYS 75 14.781 10.347 7.893 605 H1 ALA 1 H1 ALA 1 18.436 -16.747 1.698 606 H2 ALA 1 H2 ALA 1 18.337 -15.927 3.205 607 H3 ALA 1 H3 ALA 1 18.900 -15.112 1.867 608 HA ALA 1 HA ALA 1 16.758 -15.173 0.861 609 HB1 ALA 1 HB1 ALA 1 15.999 -17.324 1.776 610 HB2 ALA 1 HB2 ALA 1 14.851 -16.044 2.169 611 HB3 ALA 1 HB3 ALA 1 15.972 -16.632 3.397 612 H ARG 2 H ARG 2 15.041 -13.591 1.653 613 HA ARG 2 HA ARG 2 16.116 -11.937 3.837 614 HB2 ARG 2 HB2 ARG 2 16.386 -10.926 1.522 615 HB3 ARG 2 HB3 ARG 2 14.638 -10.987 1.356 616 HG2 ARG 2 HG2 ARG 2 14.531 -9.549 3.454 617 HG3 ARG 2 HG3 ARG 2 16.264 -9.305 3.252 618 HD2 ARG 2 HD2 ARG 2 15.142 -7.442 2.245 619 HD3 ARG 2 HD3 ARG 2 15.784 -8.443 0.943 620 HE ARG 2 HE ARG 2 13.283 -9.385 1.232 621 HH11 ARG 2 HH11 ARG 2 14.482 -6.037 0.777 622 HH12 ARG 2 HH12 ARG 2 13.060 -5.525 -0.004 623 HH21 ARG 2 HH21 ARG 2 11.302 -8.564 0.126 624 HH22 ARG 2 HH22 ARG 2 11.301 -6.930 -0.347 625 H THR 3 H THR 3 14.465 -11.056 5.176 626 HA THR 3 HA THR 3 11.995 -12.407 5.239 627 HB THR 3 HB THR 3 12.807 -11.548 7.335 628 HG1 THR 3 HG1 THR 3 10.500 -11.307 6.863 629 HG21 THR 3 HG21 THR 3 13.169 -9.141 7.802 630 HG22 THR 3 HG22 THR 3 12.832 -8.775 6.110 631 HG23 THR 3 HG23 THR 3 14.247 -9.735 6.539 632 H LYS 4 H LYS 4 10.598 -12.198 3.625 633 HA LYS 4 HA LYS 4 10.452 -9.697 2.250 634 HB2 LYS 4 HB2 LYS 4 8.887 -10.805 0.707 635 HB3 LYS 4 HB3 LYS 4 10.416 -11.644 0.846 636 HG2 LYS 4 HG2 LYS 4 9.371 -13.340 2.254 637 HG3 LYS 4 HG3 LYS 4 7.832 -12.469 2.167 638 HD2 LYS 4 HD2 LYS 4 7.903 -12.683 -0.297 639 HD3 LYS 4 HD3 LYS 4 9.362 -13.651 -0.142 640 HE2 LYS 4 HE2 LYS 4 8.151 -15.379 1.010 641 HE3 LYS 4 HE3 LYS 4 6.703 -14.371 1.080 642 HZ1 LYS 4 HZ1 LYS 4 7.939 -15.345 -1.463 643 HZ2 LYS 4 HZ2 LYS 4 6.572 -14.396 -1.299 644 HZ3 LYS 4 HZ3 LYS 4 6.514 -15.960 -0.759 645 H GLN 5 H GLN 5 8.925 -8.287 2.288 646 HA GLN 5 HA GLN 5 6.999 -8.531 4.446 647 HB2 GLN 5 HB2 GLN 5 8.888 -6.641 4.199 648 HB3 GLN 5 HB3 GLN 5 7.637 -5.943 3.165 649 HG2 GLN 5 HG2 GLN 5 7.504 -5.126 5.380 650 HG3 GLN 5 HG3 GLN 5 6.080 -6.037 4.815 651 HE21 GLN 5 HE21 GLN 5 5.487 -7.898 5.894 652 HE22 GLN 5 HE22 GLN 5 6.224 -8.492 7.317 653 H THR 6 H THR 6 4.745 -7.696 3.943 654 HA THR 6 HA THR 6 4.321 -7.504 1.082 655 HB THR 6 HB THR 6 2.472 -8.980 1.143 656 HG1 THR 6 HG1 THR 6 1.526 -9.615 3.026 657 HG21 THR 6 HG21 THR 6 4.634 -10.148 1.029 658 HG22 THR 6 HG22 THR 6 3.414 -11.143 1.817 659 HG23 THR 6 HG23 THR 6 4.635 -10.315 2.782 660 H ALA 7 H ALA 7 2.147 -6.498 0.620 661 HA ALA 7 HA ALA 7 0.920 -5.018 2.764 662 HB1 ALA 7 HB1 ALA 7 2.713 -3.499 2.089 663 HB2 ALA 7 HB2 ALA 7 1.153 -2.847 1.591 664 HB3 ALA 7 HB3 ALA 7 2.210 -3.612 0.405 665 H ARG 8 H ARG 8 -0.919 -3.643 1.606 666 HA ARG 8 HA ARG 8 -2.634 -5.652 0.642 667 HB2 ARG 8 HB2 ARG 8 -3.128 -2.695 0.479 668 HB3 ARG 8 HB3 ARG 8 -4.335 -3.962 0.357 669 HG2 ARG 8 HG2 ARG 8 -3.678 -4.658 2.674 670 HG3 ARG 8 HG3 ARG 8 -2.706 -3.173 2.719 671 HD2 ARG 8 HD2 ARG 8 -4.798 -2.735 3.778 672 HD3 ARG 8 HD3 ARG 8 -4.762 -1.889 2.233 673 HE ARG 8 HE ARG 8 -5.967 -4.279 1.672 674 HH11 ARG 8 HH11 ARG 8 -6.689 -1.637 3.937 675 HH12 ARG 8 HH12 ARG 8 -8.357 -1.961 3.972 676 HH21 ARG 8 HH21 ARG 8 -8.056 -4.732 1.742 677 HH22 ARG 8 HH22 ARG 8 -9.204 -3.874 2.688 678 H M3L 9 H M3L 9 -1.817 -2.702 -1.249 679 HA M3L 9 HA M3L 9 -1.643 -2.244 -3.418 680 HB2 M3L 9 1HB M3L 9 -0.719 -4.543 -3.905 681 HB3 M3L 9 2HB M3L 9 -2.363 -5.021 -4.312 682 HG2 M3L 9 1HG M3L 9 -1.110 -2.626 -5.612 683 HG3 M3L 9 2HG M3L 9 -2.452 -3.615 -6.176 684 HD2 M3L 9 1HD M3L 9 -0.056 -3.762 -7.207 685 HD3 M3L 9 2HD M3L 9 0.245 -4.848 -5.884 686 HE2 M3L 9 1HE M3L 9 -2.097 -5.043 -7.811 687 HE3 M3L 9 2HE M3L 9 -1.682 -6.226 -6.600 688 HM11 M3L 9 1HM1 M3L 9 -0.439 -7.908 -9.837 689 HM12 M3L 9 2HM1 M3L 9 -1.496 -8.071 -8.439 690 HM13 M3L 9 3HM1 M3L 9 -1.892 -6.935 -9.680 691 HM21 M3L 9 1HM2 M3L 9 1.214 -7.721 -8.128 692 HM22 M3L 9 2HM2 M3L 9 0.653 -7.077 -6.583 693 HM23 M3L 9 3HM2 M3L 9 1.710 -6.159 -7.602 694 HM31 M3L 9 3HM3 M3L 9 1.314 -5.204 -9.349 695 HM32 M3L 9 1HM3 M3L 9 -0.102 -5.302 -10.349 696 HM33 M3L 9 2HM3 M3L 9 -0.016 -4.155 -9.048 697 H SER 10 H SER 10 -4.138 -2.911 -1.637 698 HA SER 10 HA SER 10 -6.353 -2.742 -3.361 699 HB2 SER 10 HB2 SER 10 -6.233 -1.605 -0.594 700 HB3 SER 10 HB3 SER 10 -7.552 -2.481 -1.380 701 HG SER 10 HG SER 10 -6.677 -4.328 -0.832 702 H THR 11 H THR 11 -6.428 -1.031 -4.775 703 HA THR 11 HA THR 11 -5.312 1.496 -4.064 704 HB THR 11 HB THR 11 -6.978 0.874 -6.508 705 HG1 THR 11 HG1 THR 11 -4.169 0.369 -6.177 706 HG21 THR 11 HG21 THR 11 -5.476 2.521 -7.556 707 HG22 THR 11 HG22 THR 11 -4.604 2.700 -6.034 708 HG23 THR 11 HG23 THR 11 -6.286 3.218 -6.152 709 H GLY 12 H GLY 12 -6.549 2.187 -2.394 710 HA2 GLY 12 HA2 GLY 12 -9.354 2.847 -2.988 711 HA3 GLY 12 HA3 GLY 12 -8.767 2.468 -1.367 712 H GLY 13 H GLY 13 -9.350 4.476 -0.468 713 HA2 GLY 13 HA2 GLY 13 -7.442 6.520 -0.961 714 HA3 GLY 13 HA3 GLY 13 -9.051 6.922 -1.542 715 H LYS 14 H LYS 14 -8.469 8.591 0.061 716 HA LYS 14 HA LYS 14 -8.568 8.193 2.849 717 HB2 LYS 14 HB2 LYS 14 -7.656 10.171 1.779 718 HB3 LYS 14 HB3 LYS 14 -9.224 10.564 1.111 719 HG2 LYS 14 HG2 LYS 14 -10.061 10.966 3.398 720 HG3 LYS 14 HG3 LYS 14 -8.440 10.624 4.022 721 HD2 LYS 14 HD2 LYS 14 -7.516 12.441 2.708 722 HD3 LYS 14 HD3 LYS 14 -9.091 12.759 1.994 723 HE2 LYS 14 HE2 LYS 14 -9.946 13.345 4.232 724 HE3 LYS 14 HE3 LYS 14 -8.329 13.080 4.893 725 HZ1 LYS 14 HZ1 LYS 14 -7.477 14.855 3.518 726 HZ2 LYS 14 HZ2 LYS 14 -8.807 15.474 4.356 727 HZ3 LYS 14 HZ3 LYS 14 -8.930 15.010 2.732 728 H ALA 15 H ALA 15 -10.268 7.890 4.141 729 HA ALA 15 HA ALA 15 -12.884 7.544 3.072 730 HB1 ALA 15 HB1 ALA 15 -12.054 6.122 4.884 731 HB2 ALA 15 HB2 ALA 15 -13.503 6.993 5.387 732 HB3 ALA 15 HB3 ALA 15 -11.916 7.531 5.934 733 HA PRO 16 HA PRO 16 -13.975 11.801 4.036 734 HB2 PRO 16 HB2 PRO 16 -16.050 11.999 2.384 735 HB3 PRO 16 HB3 PRO 16 -14.412 11.845 1.711 736 HG2 PRO 16 HG2 PRO 16 -16.551 9.807 1.886 737 HG3 PRO 16 HG3 PRO 16 -15.322 10.056 0.632 738 HD2 PRO 16 HD2 PRO 16 -15.185 8.184 2.725 739 HD3 PRO 16 HD3 PRO 16 -13.860 8.683 1.650 740 H ARG 17 H ARG 17 -16.584 12.627 4.182 741 HA ARG 17 HA ARG 17 -17.644 10.779 6.096 742 HB2 ARG 17 HB2 ARG 17 -17.640 13.737 6.214 743 HB3 ARG 17 HB3 ARG 17 -19.021 12.894 6.899 744 HG2 ARG 17 HG2 ARG 17 -16.146 12.348 7.665 745 HG3 ARG 17 HG3 ARG 17 -17.227 13.415 8.558 746 HD2 ARG 17 HD2 ARG 17 -17.205 11.268 9.681 747 HD3 ARG 17 HD3 ARG 17 -18.771 11.455 8.904 748 HE ARG 17 HE ARG 17 -16.573 9.782 7.862 749 HH11 ARG 17 HH11 ARG 17 -20.112 10.249 8.360 750 HH12 ARG 17 HH12 ARG 17 -20.519 8.921 7.383 751 HH21 ARG 17 HH21 ARG 17 -17.253 7.874 6.606 752 HH22 ARG 17 HH22 ARG 17 -18.920 7.577 6.407 753 H TYR 18 H TYR 18 -18.684 9.501 4.979 754 HA TYR 18 HA TYR 18 -21.318 10.311 4.189 755 HB2 TYR 18 HB2 TYR 18 -19.908 10.004 2.104 756 HB3 TYR 18 HB3 TYR 18 -19.481 8.398 2.671 757 HD1 TYR 18 HD2 TYR 18 -22.262 10.499 1.439 758 HD2 TYR 18 HD1 TYR 18 -20.952 6.543 2.307 759 HE1 TYR 18 HE2 TYR 18 -24.225 9.597 0.266 760 HE2 TYR 18 HE1 TYR 18 -22.911 5.631 1.133 761 HH TYR 18 HH TYR 18 -24.899 7.519 -0.866 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -36.273 -12.013 -12.035 2 H2 MET 1 H2 MET 1 -35.020 -12.801 -12.825 3 H3 MET 1 H3 MET 1 -35.485 -11.211 -13.303 4 HA MET 1 HA MET 1 -33.449 -11.266 -11.951 5 HB2 MET 1 HB2 MET 1 -35.917 -9.983 -10.727 6 HB3 MET 1 HB3 MET 1 -34.286 -9.640 -10.180 7 HG2 MET 1 HG2 MET 1 -35.137 -7.891 -11.657 8 HG3 MET 1 HG3 MET 1 -33.733 -8.692 -12.354 9 HE1 MET 1 HE1 MET 1 -34.335 -7.578 -14.723 10 HE2 MET 1 HE2 MET 1 -35.741 -6.802 -13.995 11 HE3 MET 1 HE3 MET 1 -35.917 -7.723 -15.488 12 H VAL 2 H VAL 2 -32.819 -11.343 -9.518 13 HA VAL 2 HA VAL 2 -34.220 -13.494 -8.163 14 HB VAL 2 HB VAL 2 -32.021 -14.492 -7.498 15 HG11 VAL 2 HG11 VAL 2 -31.503 -15.636 -9.604 16 HG12 VAL 2 HG12 VAL 2 -32.461 -14.443 -10.479 17 HG13 VAL 2 HG13 VAL 2 -33.242 -15.523 -9.326 18 HG21 VAL 2 HG21 VAL 2 -30.588 -12.544 -7.840 19 HG22 VAL 2 HG22 VAL 2 -30.853 -12.637 -9.581 20 HG23 VAL 2 HG23 VAL 2 -29.978 -13.925 -8.753 21 H SER 3 H SER 3 -32.930 -13.619 -5.880 22 HA SER 3 HA SER 3 -32.936 -10.861 -4.922 23 HB2 SER 3 HB2 SER 3 -33.117 -13.433 -3.340 24 HB3 SER 3 HB3 SER 3 -33.462 -11.799 -2.766 25 HG SER 3 HG SER 3 -35.114 -11.834 -4.538 26 H VAL 4 H VAL 4 -30.948 -10.032 -4.769 27 HA VAL 4 HA VAL 4 -28.665 -11.816 -4.587 28 HB VAL 4 HB VAL 4 -28.750 -8.825 -5.108 29 HG11 VAL 4 HG11 VAL 4 -26.448 -9.098 -5.915 30 HG12 VAL 4 HG12 VAL 4 -26.498 -10.802 -5.462 31 HG13 VAL 4 HG13 VAL 4 -26.605 -9.557 -4.219 32 HG21 VAL 4 HG21 VAL 4 -29.879 -10.033 -6.900 33 HG22 VAL 4 HG22 VAL 4 -28.487 -11.101 -7.077 34 HG23 VAL 4 HG23 VAL 4 -28.339 -9.388 -7.468 35 H LYS 5 H LYS 5 -27.506 -11.962 -2.860 36 HA LYS 5 HA LYS 5 -28.160 -10.287 -0.553 37 HB2 LYS 5 HB2 LYS 5 -27.592 -12.264 0.806 38 HB3 LYS 5 HB3 LYS 5 -28.893 -12.620 -0.315 39 HG2 LYS 5 HG2 LYS 5 -27.032 -13.557 -1.841 40 HG3 LYS 5 HG3 LYS 5 -26.041 -13.541 -0.386 41 HD2 LYS 5 HD2 LYS 5 -26.901 -15.690 -0.348 42 HD3 LYS 5 HD3 LYS 5 -28.051 -14.829 0.671 43 HE2 LYS 5 HE2 LYS 5 -28.425 -15.527 -2.260 44 HE3 LYS 5 HE3 LYS 5 -29.202 -16.325 -0.904 45 HZ1 LYS 5 HZ1 LYS 5 -30.701 -14.788 -1.980 46 HZ2 LYS 5 HZ2 LYS 5 -29.635 -13.517 -1.795 47 HZ3 LYS 5 HZ3 LYS 5 -30.363 -14.210 -0.424 48 HA PRO 6 HA PRO 6 -23.878 -9.053 -0.550 49 HB2 PRO 6 HB2 PRO 6 -23.240 -9.261 2.138 50 HB3 PRO 6 HB3 PRO 6 -24.108 -7.880 1.436 51 HG2 PRO 6 HG2 PRO 6 -25.193 -10.214 2.911 52 HG3 PRO 6 HG3 PRO 6 -25.687 -8.510 2.967 53 HD2 PRO 6 HD2 PRO 6 -27.105 -10.323 1.609 54 HD3 PRO 6 HD3 PRO 6 -26.928 -8.653 1.035 55 H LEU 7 H LEU 7 -22.300 -10.318 -1.294 56 HA LEU 7 HA LEU 7 -21.903 -12.914 -0.025 57 HB2 LEU 7 HB2 LEU 7 -21.278 -12.013 -2.843 58 HB3 LEU 7 HB3 LEU 7 -20.868 -13.586 -2.194 59 HG LEU 7 HG LEU 7 -23.676 -12.532 -2.587 60 HD11 LEU 7 HD11 LEU 7 -23.810 -14.200 -4.366 61 HD12 LEU 7 HD12 LEU 7 -22.110 -14.600 -4.118 62 HD13 LEU 7 HD13 LEU 7 -22.564 -12.997 -4.697 63 HD21 LEU 7 HD21 LEU 7 -24.361 -14.838 -2.078 64 HD22 LEU 7 HD22 LEU 7 -23.558 -14.079 -0.708 65 HD23 LEU 7 HD23 LEU 7 -22.686 -15.248 -1.701 66 HA PRO 8 HA PRO 8 -17.766 -11.401 0.745 67 HB2 PRO 8 HB2 PRO 8 -16.672 -13.731 1.621 68 HB3 PRO 8 HB3 PRO 8 -17.861 -12.817 2.565 69 HG2 PRO 8 HG2 PRO 8 -18.179 -15.391 1.296 70 HG3 PRO 8 HG3 PRO 8 -19.257 -14.559 2.429 71 HD2 PRO 8 HD2 PRO 8 -19.437 -14.728 -0.478 72 HD3 PRO 8 HD3 PRO 8 -20.651 -14.203 0.706 73 H ASP 9 H ASP 9 -16.166 -10.895 -0.724 74 HA ASP 9 HA ASP 9 -15.501 -12.780 -2.817 75 HB2 ASP 9 HB2 ASP 9 -14.046 -11.002 -3.699 76 HB3 ASP 9 HB3 ASP 9 -15.602 -10.298 -3.292 77 H ILE 10 H ILE 10 -14.188 -11.401 0.072 78 HA ILE 10 HA ILE 10 -12.106 -13.464 0.121 79 HB ILE 10 HB ILE 10 -12.561 -11.180 2.085 80 HG12 ILE 10 HG12 ILE 10 -10.501 -11.376 -0.134 81 HG13 ILE 10 HG13 ILE 10 -11.944 -10.372 -0.194 82 HG21 ILE 10 HG21 ILE 10 -10.305 -11.739 2.907 83 HG22 ILE 10 HG22 ILE 10 -10.192 -13.026 1.705 84 HG23 ILE 10 HG23 ILE 10 -11.373 -13.149 2.998 85 HD11 ILE 10 HD11 ILE 10 -10.003 -9.047 0.355 86 HD12 ILE 10 HD12 ILE 10 -9.647 -10.089 1.732 87 HD13 ILE 10 HD13 ILE 10 -11.105 -9.094 1.731 88 H ASP 11 H ASP 11 -12.306 -15.138 1.535 89 HA ASP 11 HA ASP 11 -14.878 -15.674 2.628 90 HB2 ASP 11 HB2 ASP 11 -13.208 -17.359 1.669 91 HB3 ASP 11 HB3 ASP 11 -12.348 -17.207 3.196 92 H SER 12 H SER 12 -14.994 -16.526 4.970 93 HA SER 12 HA SER 12 -14.042 -14.334 6.664 94 HB2 SER 12 HB2 SER 12 -16.246 -16.334 7.148 95 HB3 SER 12 HB3 SER 12 -15.903 -14.888 8.107 96 HG SER 12 HG SER 12 -16.126 -14.383 5.469 97 H ASN 13 H ASN 13 -13.555 -17.657 6.015 98 HA ASN 13 HA ASN 13 -12.457 -18.230 8.643 99 HB2 ASN 13 HB2 ASN 13 -13.857 -19.945 7.452 100 HB3 ASN 13 HB3 ASN 13 -12.679 -19.976 6.155 101 HD21 ASN 13 HD21 ASN 13 -11.693 -19.850 9.623 102 HD22 ASN 13 HD22 ASN 13 -11.091 -21.436 9.624 103 H GLU 14 H GLU 14 -10.219 -19.355 8.505 104 HA GLU 14 HA GLU 14 -8.529 -17.362 7.275 105 HB2 GLU 14 HB2 GLU 14 -7.648 -19.664 9.025 106 HB3 GLU 14 HB3 GLU 14 -6.801 -18.164 8.716 107 HG2 GLU 14 HG2 GLU 14 -7.573 -17.958 10.920 108 HG3 GLU 14 HG3 GLU 14 -8.731 -17.023 9.980 109 H GLY 15 H GLY 15 -7.493 -17.736 5.473 110 HA2 GLY 15 HA2 GLY 15 -6.519 -20.326 4.716 111 HA3 GLY 15 HA3 GLY 15 -7.827 -19.711 3.702 112 H GLU 16 H GLU 16 -7.364 -18.309 2.148 113 HA GLU 16 HA GLU 16 -4.577 -17.441 1.966 114 HB2 GLU 16 HB2 GLU 16 -6.665 -17.557 -0.231 115 HB3 GLU 16 HB3 GLU 16 -4.966 -17.194 -0.434 116 HG2 GLU 16 HG2 GLU 16 -5.319 -19.408 -1.214 117 HG3 GLU 16 HG3 GLU 16 -4.474 -19.545 0.324 118 H THR 17 H THR 17 -4.338 -15.468 2.709 119 HA THR 17 HA THR 17 -6.412 -13.444 2.476 120 HB THR 17 HB THR 17 -4.487 -12.043 3.551 121 HG1 THR 17 HG1 THR 17 -2.922 -13.829 3.063 122 HG21 THR 17 HG21 THR 17 -5.065 -12.917 5.775 123 HG22 THR 17 HG22 THR 17 -5.787 -14.345 5.025 124 HG23 THR 17 HG23 THR 17 -6.491 -12.748 4.753 125 H ASP 18 H ASP 18 -3.918 -14.646 0.692 126 HA ASP 18 HA ASP 18 -2.480 -12.705 -0.539 127 HB2 ASP 18 HB2 ASP 18 -3.600 -15.209 -1.795 128 HB3 ASP 18 HB3 ASP 18 -2.123 -14.361 -2.252 129 H ALA 19 H ALA 19 -5.745 -13.646 -1.064 130 HA ALA 19 HA ALA 19 -6.298 -12.610 -3.576 131 HB1 ALA 19 HB1 ALA 19 -7.882 -13.972 -2.290 132 HB2 ALA 19 HB2 ALA 19 -8.629 -12.482 -2.867 133 HB3 ALA 19 HB3 ALA 19 -8.132 -12.625 -1.180 134 H ASP 20 H ASP 20 -5.861 -10.906 -0.541 135 HA ASP 20 HA ASP 20 -6.147 -8.437 -2.083 136 HB2 ASP 20 HB2 ASP 20 -8.133 -8.794 -0.548 137 HB3 ASP 20 HB3 ASP 20 -7.030 -8.668 0.817 138 H VAL 21 H VAL 21 -3.811 -10.172 -1.223 139 HA VAL 21 HA VAL 21 -2.329 -7.910 -0.258 140 HB VAL 21 HB VAL 21 -3.016 -9.312 1.809 141 HG11 VAL 21 HG11 VAL 21 -1.015 -11.242 0.776 142 HG12 VAL 21 HG12 VAL 21 -2.735 -11.504 1.099 143 HG13 VAL 21 HG13 VAL 21 -1.628 -11.181 2.428 144 HG21 VAL 21 HG21 VAL 21 -0.869 -8.995 2.916 145 HG22 VAL 21 HG22 VAL 21 -1.328 -7.608 1.929 146 HG23 VAL 21 HG23 VAL 21 -0.111 -8.742 1.344 147 H TYR 22 H TYR 22 -0.655 -7.607 -1.438 148 HA TYR 22 HA TYR 22 0.627 -9.928 -2.717 149 HB2 TYR 22 HB2 TYR 22 0.465 -7.053 -3.631 150 HB3 TYR 22 HB3 TYR 22 1.540 -8.242 -4.351 151 HD1 TYR 22 HD2 TYR 22 0.665 -10.040 -5.710 152 HD2 TYR 22 HD1 TYR 22 -1.916 -7.112 -4.032 153 HE1 TYR 22 HE2 TYR 22 -1.108 -10.734 -7.252 154 HE2 TYR 22 HE1 TYR 22 -3.701 -7.804 -5.571 155 HH TYR 22 HH TYR 22 -3.620 -10.623 -7.335 156 H GLU 23 H GLU 23 2.984 -9.681 -2.951 157 HA GLU 23 HA GLU 23 4.134 -8.858 -0.509 158 HB2 GLU 23 HB2 GLU 23 5.137 -9.880 -3.032 159 HB3 GLU 23 HB3 GLU 23 6.255 -9.273 -1.786 160 HG2 GLU 23 HG2 GLU 23 5.613 -10.937 -0.327 161 HG3 GLU 23 HG3 GLU 23 4.212 -11.352 -1.320 162 H VAL 24 H VAL 24 5.375 -7.408 -0.094 163 HA VAL 24 HA VAL 24 5.772 -5.216 -2.008 164 HB VAL 24 HB VAL 24 5.785 -5.059 1.033 165 HG11 VAL 24 HG11 VAL 24 6.183 -2.652 0.716 166 HG12 VAL 24 HG12 VAL 24 6.388 -2.918 -1.020 167 HG13 VAL 24 HG13 VAL 24 7.541 -3.613 0.123 168 HG21 VAL 24 HG21 VAL 24 4.051 -3.786 -1.060 169 HG22 VAL 24 HG22 VAL 24 3.954 -3.498 0.676 170 HG23 VAL 24 HG23 VAL 24 3.586 -5.096 0.025 171 H GLU 25 H GLU 25 7.684 -5.399 -2.932 172 HA GLU 25 HA GLU 25 9.751 -6.883 -1.624 173 HB2 GLU 25 HB2 GLU 25 9.334 -6.467 -4.207 174 HB3 GLU 25 HB3 GLU 25 10.290 -5.020 -3.930 175 HG2 GLU 25 HG2 GLU 25 11.709 -6.796 -4.744 176 HG3 GLU 25 HG3 GLU 25 12.126 -6.419 -3.069 177 H ASP 26 H ASP 26 9.396 -3.423 -2.577 178 HA ASP 26 HA ASP 26 10.001 -2.368 -0.088 179 HB2 ASP 26 HB2 ASP 26 12.383 -3.300 -0.999 180 HB3 ASP 26 HB3 ASP 26 12.367 -1.745 -1.827 181 H ILE 27 H ILE 27 10.905 0.053 -0.591 182 HA ILE 27 HA ILE 27 8.790 1.108 -2.341 183 HB ILE 27 HB ILE 27 10.613 2.754 -0.557 184 HG12 ILE 27 HG12 ILE 27 9.610 1.018 0.901 185 HG13 ILE 27 HG13 ILE 27 8.976 2.613 1.267 186 HG21 ILE 27 HG21 ILE 27 9.324 4.002 -2.137 187 HG22 ILE 27 HG22 ILE 27 8.707 4.298 -0.511 188 HG23 ILE 27 HG23 ILE 27 7.845 3.213 -1.603 189 HD11 ILE 27 HD11 ILE 27 7.243 0.921 1.346 190 HD12 ILE 27 HD12 ILE 27 7.583 0.471 -0.325 191 HD13 ILE 27 HD13 ILE 27 6.933 2.068 0.044 192 H LEU 28 H LEU 28 9.313 2.415 -4.074 193 HA LEU 28 HA LEU 28 12.149 2.473 -4.817 194 HB2 LEU 28 HB2 LEU 28 9.677 2.726 -6.487 195 HB3 LEU 28 HB3 LEU 28 11.310 2.827 -7.133 196 HG LEU 28 HG LEU 28 10.016 0.409 -5.857 197 HD11 LEU 28 HD11 LEU 28 9.132 0.880 -8.059 198 HD12 LEU 28 HD12 LEU 28 10.158 -0.556 -8.106 199 HD13 LEU 28 HD13 LEU 28 10.765 0.983 -8.714 200 HD21 LEU 28 HD21 LEU 28 12.411 0.446 -5.387 201 HD22 LEU 28 HD22 LEU 28 12.755 0.718 -7.095 202 HD23 LEU 28 HD23 LEU 28 12.033 -0.803 -6.573 203 H ALA 29 H ALA 29 9.382 4.512 -4.186 204 HA ALA 29 HA ALA 29 10.931 6.823 -3.790 205 HB1 ALA 29 HB1 ALA 29 10.032 8.231 -5.614 206 HB2 ALA 29 HB2 ALA 29 9.245 6.817 -6.316 207 HB3 ALA 29 HB3 ALA 29 11.006 6.908 -6.258 208 H ASP 30 H ASP 30 9.216 8.803 -3.657 209 HA ASP 30 HA ASP 30 6.627 7.807 -2.825 210 HB2 ASP 30 HB2 ASP 30 6.664 8.978 -0.694 211 HB3 ASP 30 HB3 ASP 30 8.025 7.865 -0.787 212 H ARG 31 H ARG 31 5.181 9.675 -2.259 213 HA ARG 31 HA ARG 31 5.888 12.271 -2.994 214 HB2 ARG 31 HB2 ARG 31 4.583 12.645 -4.966 215 HB3 ARG 31 HB3 ARG 31 5.454 11.166 -5.291 216 HG2 ARG 31 HG2 ARG 31 3.409 10.558 -6.077 217 HG3 ARG 31 HG3 ARG 31 3.172 10.109 -4.384 218 HD2 ARG 31 HD2 ARG 31 2.151 12.304 -3.955 219 HD3 ARG 31 HD3 ARG 31 2.374 12.733 -5.646 220 HE ARG 31 HE ARG 31 0.853 10.328 -5.290 221 HH11 ARG 31 HH11 ARG 31 0.570 13.856 -5.397 222 HH12 ARG 31 HH12 ARG 31 -1.129 13.801 -5.650 223 HH21 ARG 31 HH21 ARG 31 -1.296 10.279 -5.560 224 HH22 ARG 31 HH22 ARG 31 -2.281 11.670 -5.707 225 H VAL 32 H VAL 32 3.911 13.722 -2.620 226 HA VAL 32 HA VAL 32 2.121 12.438 -0.689 227 HB VAL 32 HB VAL 32 3.538 15.095 -0.238 228 HG11 VAL 32 HG11 VAL 32 2.637 14.980 2.036 229 HG12 VAL 32 HG12 VAL 32 1.781 13.496 1.615 230 HG13 VAL 32 HG13 VAL 32 1.357 15.013 0.821 231 HG21 VAL 32 HG21 VAL 32 4.072 12.441 1.102 232 HG22 VAL 32 HG22 VAL 32 4.801 13.980 1.558 233 HG23 VAL 32 HG23 VAL 32 5.148 13.272 -0.022 234 H ASN 33 H ASN 33 0.090 13.271 -0.673 235 HA ASN 33 HA ASN 33 -0.720 14.971 -2.911 236 HB2 ASN 33 HB2 ASN 33 -2.303 13.741 -0.638 237 HB3 ASN 33 HB3 ASN 33 -3.009 14.687 -1.933 238 HD21 ASN 33 HD21 ASN 33 -1.548 11.653 -1.033 239 HD22 ASN 33 HD22 ASN 33 -2.025 10.789 -2.419 240 H LYS 34 H LYS 34 -2.390 16.733 -2.302 241 HA LYS 34 HA LYS 34 -1.299 18.423 -0.198 242 HB2 LYS 34 HB2 LYS 34 -2.810 20.140 -1.008 243 HB3 LYS 34 HB3 LYS 34 -2.046 19.394 -2.404 244 HG2 LYS 34 HG2 LYS 34 -4.029 18.167 -2.932 245 HG3 LYS 34 HG3 LYS 34 -4.781 18.618 -1.405 246 HD2 LYS 34 HD2 LYS 34 -4.716 20.993 -2.158 247 HD3 LYS 34 HD3 LYS 34 -4.131 20.432 -3.725 248 HE2 LYS 34 HE2 LYS 34 -6.556 20.807 -3.768 249 HE3 LYS 34 HE3 LYS 34 -6.165 19.108 -4.022 250 HZ1 LYS 34 HZ1 LYS 34 -6.781 18.611 -1.758 251 HZ2 LYS 34 HZ2 LYS 34 -8.044 19.476 -2.456 252 HZ3 LYS 34 HZ3 LYS 34 -6.983 20.247 -1.395 253 H ASN 35 H ASN 35 -3.725 16.172 -0.737 254 HA ASN 35 HA ASN 35 -5.668 17.074 1.132 255 HB2 ASN 35 HB2 ASN 35 -5.371 14.313 -0.063 256 HB3 ASN 35 HB3 ASN 35 -6.772 14.897 0.821 257 HD21 ASN 35 HD21 ASN 35 -6.699 13.856 -1.829 258 HD22 ASN 35 HD22 ASN 35 -7.267 15.077 -2.892 259 H GLY 36 H GLY 36 -2.726 15.385 1.464 260 HA2 GLY 36 HA2 GLY 36 -1.798 15.253 3.671 261 HA3 GLY 36 HA3 GLY 36 -3.414 14.934 4.280 262 H ILE 37 H ILE 37 -2.411 13.254 1.404 263 HA ILE 37 HA ILE 37 -2.089 10.828 3.043 264 HB ILE 37 HB ILE 37 -2.980 11.104 0.145 265 HG12 ILE 37 HG12 ILE 37 -5.060 9.831 1.105 266 HG13 ILE 37 HG13 ILE 37 -4.441 10.474 2.627 267 HG21 ILE 37 HG21 ILE 37 -3.377 8.720 0.154 268 HG22 ILE 37 HG22 ILE 37 -2.653 8.614 1.767 269 HG23 ILE 37 HG23 ILE 37 -1.672 9.132 0.384 270 HD11 ILE 37 HD11 ILE 37 -4.690 12.725 1.815 271 HD12 ILE 37 HD12 ILE 37 -6.221 11.850 1.694 272 HD13 ILE 37 HD13 ILE 37 -5.228 12.106 0.252 273 H ASN 38 H ASN 38 -0.093 9.854 2.910 274 HA ASN 38 HA ASN 38 1.688 10.792 0.799 275 HB2 ASN 38 HB2 ASN 38 2.284 9.050 3.228 276 HB3 ASN 38 HB3 ASN 38 3.470 9.561 2.044 277 HD21 ASN 38 HD21 ASN 38 0.966 11.582 3.489 278 HD22 ASN 38 HD22 ASN 38 2.042 12.646 4.324 279 H GLU 39 H GLU 39 2.543 9.299 -0.673 280 HA GLU 39 HA GLU 39 1.623 6.593 -0.493 281 HB2 GLU 39 HB2 GLU 39 0.807 6.713 -2.895 282 HB3 GLU 39 HB3 GLU 39 -0.216 7.470 -1.688 283 HG2 GLU 39 HG2 GLU 39 0.831 9.637 -2.282 284 HG3 GLU 39 HG3 GLU 39 1.627 8.800 -3.616 285 H TYR 40 H TYR 40 2.729 5.198 -2.010 286 HA TYR 40 HA TYR 40 5.365 6.366 -2.620 287 HB2 TYR 40 HB2 TYR 40 5.115 3.687 -1.285 288 HB3 TYR 40 HB3 TYR 40 6.520 4.737 -1.421 289 HD1 TYR 40 HD2 TYR 40 6.690 6.751 0.019 290 HD2 TYR 40 HD1 TYR 40 3.560 3.937 0.456 291 HE1 TYR 40 HE2 TYR 40 6.144 7.716 2.221 292 HE2 TYR 40 HE1 TYR 40 3.009 4.857 2.632 293 HH TYR 40 HH TYR 40 3.840 6.186 4.340 294 H TYR 41 H TYR 41 6.536 5.258 -4.127 295 HA TYR 41 HA TYR 41 5.023 3.733 -6.048 296 HB2 TYR 41 HB2 TYR 41 6.866 5.532 -6.480 297 HB3 TYR 41 HB3 TYR 41 8.002 4.250 -6.097 298 HD1 TYR 41 HD2 TYR 41 4.861 4.297 -8.114 299 HD2 TYR 41 HD1 TYR 41 9.057 3.614 -8.081 300 HE1 TYR 41 HE2 TYR 41 4.766 3.610 -10.469 301 HE2 TYR 41 HE1 TYR 41 8.967 2.924 -10.429 302 HH TYR 41 HH TYR 41 7.245 2.001 -11.982 303 H ILE 42 H ILE 42 4.644 1.714 -5.405 304 HA ILE 42 HA ILE 42 6.496 0.325 -3.593 305 HB ILE 42 HB ILE 42 3.726 -0.501 -4.484 306 HG12 ILE 42 HG12 ILE 42 3.588 1.648 -3.288 307 HG13 ILE 42 HG13 ILE 42 2.877 0.341 -2.352 308 HG21 ILE 42 HG21 ILE 42 5.046 -2.346 -3.635 309 HG22 ILE 42 HG22 ILE 42 3.752 -1.948 -2.504 310 HG23 ILE 42 HG23 ILE 42 5.407 -1.434 -2.167 311 HD11 ILE 42 HD11 ILE 42 5.580 1.579 -1.916 312 HD12 ILE 42 HD12 ILE 42 4.903 0.239 -0.993 313 HD13 ILE 42 HD13 ILE 42 4.134 1.826 -0.934 314 H LYS 43 H LYS 43 7.744 -1.375 -4.324 315 HA LYS 43 HA LYS 43 6.986 -2.449 -6.894 316 HB2 LYS 43 HB2 LYS 43 9.414 -2.007 -6.662 317 HB3 LYS 43 HB3 LYS 43 9.481 -3.159 -5.329 318 HG2 LYS 43 HG2 LYS 43 10.253 -4.272 -7.340 319 HG3 LYS 43 HG3 LYS 43 8.692 -4.951 -6.874 320 HD2 LYS 43 HD2 LYS 43 7.618 -3.380 -8.528 321 HD3 LYS 43 HD3 LYS 43 9.236 -2.949 -9.082 322 HE2 LYS 43 HE2 LYS 43 8.523 -4.557 -10.613 323 HE3 LYS 43 HE3 LYS 43 9.501 -5.492 -9.488 324 HZ1 LYS 43 HZ1 LYS 43 7.383 -6.638 -10.018 325 HZ2 LYS 43 HZ2 LYS 43 6.512 -5.338 -9.528 326 HZ3 LYS 43 HZ3 LYS 43 7.327 -6.208 -8.392 327 H TRP 44 H TRP 44 5.393 -3.790 -6.747 328 HA TRP 44 HA TRP 44 5.052 -5.481 -4.499 329 HB2 TRP 44 HB2 TRP 44 3.696 -5.561 -7.185 330 HB3 TRP 44 HB3 TRP 44 3.149 -6.343 -5.709 331 HD1 TRP 44 HD1 TRP 44 3.094 -3.041 -7.537 332 HE1 TRP 44 HE1 TRP 44 1.605 -1.398 -6.237 333 HE3 TRP 44 HE3 TRP 44 2.464 -5.739 -3.281 334 HZ2 TRP 44 HZ2 TRP 44 0.331 -1.262 -3.734 335 HZ3 TRP 44 HZ3 TRP 44 1.093 -4.805 -1.484 336 HH2 TRP 44 HH2 TRP 44 0.050 -2.603 -1.699 337 H ALA 45 H ALA 45 5.898 -7.382 -4.239 338 HA ALA 45 HA ALA 45 7.265 -8.664 -6.460 339 HB1 ALA 45 HB1 ALA 45 8.110 -10.244 -4.774 340 HB2 ALA 45 HB2 ALA 45 7.147 -9.439 -3.538 341 HB3 ALA 45 HB3 ALA 45 8.470 -8.579 -4.326 342 H GLY 46 H GLY 46 6.792 -10.952 -6.867 343 HA2 GLY 46 HA2 GLY 46 5.292 -12.757 -6.920 344 HA3 GLY 46 HA3 GLY 46 4.109 -11.765 -6.073 345 H TYR 47 H TYR 47 4.660 -9.500 -7.942 346 HA TYR 47 HA TYR 47 3.055 -10.552 -10.157 347 HB2 TYR 47 HB2 TYR 47 2.431 -8.348 -8.647 348 HB3 TYR 47 HB3 TYR 47 3.336 -7.613 -9.986 349 HD1 TYR 47 HD2 TYR 47 1.169 -10.365 -9.982 350 HD2 TYR 47 HD1 TYR 47 1.806 -6.614 -11.320 351 HE1 TYR 47 HE2 TYR 47 -0.898 -10.611 -11.427 352 HE2 TYR 47 HE1 TYR 47 -0.155 -6.700 -12.806 353 HH TYR 47 HH TYR 47 -2.464 -9.219 -12.623 354 H ASP 48 H ASP 48 3.316 -9.078 -11.992 355 HA ASP 48 HA ASP 48 5.797 -9.562 -13.230 356 HB2 ASP 48 HB2 ASP 48 3.857 -9.211 -14.620 357 HB3 ASP 48 HB3 ASP 48 3.692 -7.546 -14.044 358 H TRP 49 H TRP 49 7.439 -8.195 -13.921 359 HA TRP 49 HA TRP 49 8.498 -6.620 -11.829 360 HB2 TRP 49 HB2 TRP 49 9.457 -6.927 -14.671 361 HB3 TRP 49 HB3 TRP 49 10.389 -6.228 -13.346 362 HD1 TRP 49 HD1 TRP 49 9.127 -9.569 -14.690 363 HE1 TRP 49 HE1 TRP 49 10.337 -11.473 -13.467 364 HE3 TRP 49 HE3 TRP 49 11.554 -6.826 -11.120 365 HZ2 TRP 49 HZ2 TRP 49 12.098 -11.782 -11.273 366 HZ3 TRP 49 HZ3 TRP 49 12.980 -8.005 -9.496 367 HH2 TRP 49 HH2 TRP 49 13.244 -10.429 -9.572 368 H TYR 50 H TYR 50 6.538 -5.745 -14.574 369 HA TYR 50 HA TYR 50 7.292 -2.943 -14.320 370 HB2 TYR 50 HB2 TYR 50 7.275 -4.072 -16.574 371 HB3 TYR 50 HB3 TYR 50 5.546 -4.307 -16.398 372 HD1 TYR 50 HD2 TYR 50 8.102 -1.580 -16.361 373 HD2 TYR 50 HD1 TYR 50 4.120 -2.716 -17.345 374 HE1 TYR 50 HE2 TYR 50 7.729 0.625 -17.376 375 HE2 TYR 50 HE1 TYR 50 3.739 -0.511 -18.365 376 HH TYR 50 HH TYR 50 4.662 1.769 -18.188 377 H ASP 51 H ASP 51 5.567 -4.527 -12.338 378 HA ASP 51 HA ASP 51 2.908 -3.493 -12.810 379 HB2 ASP 51 HB2 ASP 51 2.170 -4.857 -11.207 380 HB3 ASP 51 HB3 ASP 51 3.495 -5.855 -11.844 381 H ASN 52 H ASN 52 5.643 -2.573 -11.122 382 HA ASN 52 HA ASN 52 4.760 -1.541 -8.725 383 HB2 ASN 52 HB2 ASN 52 6.630 0.201 -8.983 384 HB3 ASN 52 HB3 ASN 52 7.081 -1.488 -8.981 385 HD21 ASN 52 HD21 ASN 52 5.689 0.112 -11.830 386 HD22 ASN 52 HD22 ASN 52 7.136 0.022 -12.771 387 H THR 53 H THR 53 3.813 0.209 -7.991 388 HA THR 53 HA THR 53 2.990 2.342 -9.717 389 HB THR 53 HB THR 53 1.283 0.641 -10.242 390 HG1 THR 53 HG1 THR 53 -0.298 2.156 -8.574 391 HG21 THR 53 HG21 THR 53 1.454 -0.744 -8.224 392 HG22 THR 53 HG22 THR 53 -0.218 -0.267 -8.500 393 HG23 THR 53 HG23 THR 53 0.739 0.549 -7.262 394 H TRP 54 H TRP 54 1.417 3.712 -8.279 395 HA TRP 54 HA TRP 54 2.770 4.079 -5.726 396 HB2 TRP 54 HB2 TRP 54 0.674 5.812 -7.071 397 HB3 TRP 54 HB3 TRP 54 1.631 6.239 -5.659 398 HD1 TRP 54 HD1 TRP 54 1.880 5.883 -9.454 399 HE1 TRP 54 HE1 TRP 54 3.993 7.083 -10.268 400 HE3 TRP 54 HE3 TRP 54 3.998 7.009 -4.922 401 HZ2 TRP 54 HZ2 TRP 54 6.244 8.355 -9.165 402 HZ3 TRP 54 HZ3 TRP 54 6.123 8.224 -4.910 403 HH2 TRP 54 HH2 TRP 54 7.225 8.880 -6.977 404 H GLU 55 H GLU 55 1.772 3.674 -3.839 405 HA GLU 55 HA GLU 55 -1.124 3.139 -3.807 406 HB2 GLU 55 HB2 GLU 55 0.207 1.014 -3.887 407 HB3 GLU 55 HB3 GLU 55 1.117 1.555 -2.495 408 HG2 GLU 55 HG2 GLU 55 -0.422 -0.098 -1.773 409 HG3 GLU 55 HG3 GLU 55 -0.983 1.459 -1.177 410 HA PRO 56 HA PRO 56 -0.450 5.962 -0.310 411 HB2 PRO 56 HB2 PRO 56 -2.886 5.054 0.980 412 HB3 PRO 56 HB3 PRO 56 -2.577 6.601 0.171 413 HG2 PRO 56 HG2 PRO 56 -4.269 4.746 -0.801 414 HG3 PRO 56 HG3 PRO 56 -3.380 5.898 -1.822 415 HD2 PRO 56 HD2 PRO 56 -2.830 3.018 -1.313 416 HD3 PRO 56 HD3 PRO 56 -2.652 3.970 -2.801 417 H GLU 57 H GLU 57 -0.094 6.029 1.926 418 HA GLU 57 HA GLU 57 1.284 3.844 2.932 419 HB2 GLU 57 HB2 GLU 57 1.506 5.153 5.011 420 HB3 GLU 57 HB3 GLU 57 1.886 6.072 3.571 421 HG2 GLU 57 HG2 GLU 57 -0.482 6.968 3.724 422 HG3 GLU 57 HG3 GLU 57 -0.479 6.318 5.367 423 H GLN 58 H GLN 58 -2.000 4.587 3.237 424 HA GLN 58 HA GLN 58 -2.700 3.144 5.527 425 HB2 GLN 58 HB2 GLN 58 -4.331 3.554 3.019 426 HB3 GLN 58 HB3 GLN 58 -4.972 3.024 4.570 427 HG2 GLN 58 HG2 GLN 58 -4.230 5.147 5.578 428 HG3 GLN 58 HG3 GLN 58 -3.653 5.674 4.005 429 HE21 GLN 58 HE21 GLN 58 -5.988 4.476 2.608 430 HE22 GLN 58 HE22 GLN 58 -7.294 5.544 2.991 431 H ASN 59 H ASN 59 -1.810 1.909 2.343 432 HA ASN 59 HA ASN 59 -2.790 -0.726 3.016 433 HB2 ASN 59 HB2 ASN 59 -1.436 0.353 0.586 434 HB3 ASN 59 HB3 ASN 59 -1.519 -1.374 0.870 435 HD21 ASN 59 HD21 ASN 59 -4.004 1.205 1.382 436 HD22 ASN 59 HD22 ASN 59 -5.086 0.434 0.287 437 H LEU 60 H LEU 60 -0.155 0.917 3.990 438 HA LEU 60 HA LEU 60 1.833 -1.111 3.379 439 HB2 LEU 60 HB2 LEU 60 1.934 1.661 4.518 440 HB3 LEU 60 HB3 LEU 60 3.295 0.592 4.738 441 HG LEU 60 HG LEU 60 3.534 2.249 2.854 442 HD11 LEU 60 HD11 LEU 60 4.493 0.705 1.277 443 HD12 LEU 60 HD12 LEU 60 3.613 -0.628 2.013 444 HD13 LEU 60 HD13 LEU 60 4.868 0.215 2.929 445 HD21 LEU 60 HD21 LEU 60 2.404 1.850 0.747 446 HD22 LEU 60 HD22 LEU 60 1.193 2.136 2.004 447 HD23 LEU 60 HD23 LEU 60 1.521 0.503 1.450 448 H PHE 61 H PHE 61 -0.399 -1.444 5.351 449 HA PHE 61 HA PHE 61 0.355 -1.459 8.018 450 HB2 PHE 61 HB2 PHE 61 -1.492 -2.971 8.409 451 HB3 PHE 61 HB3 PHE 61 -1.938 -1.933 7.061 452 HD1 PHE 61 HD2 PHE 61 -1.742 -2.852 4.704 453 HD2 PHE 61 HD1 PHE 61 -1.540 -5.309 8.172 454 HE1 PHE 61 HE2 PHE 61 -2.251 -4.826 3.333 455 HE2 PHE 61 HE1 PHE 61 -2.050 -7.287 6.803 456 HZ PHE 61 HZ PHE 61 -2.407 -7.047 4.379 457 H GLY 62 H GLY 62 1.177 -3.854 5.551 458 HA2 GLY 62 HA2 GLY 62 2.465 -5.570 7.563 459 HA3 GLY 62 HA3 GLY 62 2.129 -6.019 5.892 460 H ALA 63 H ALA 63 3.104 -3.296 5.209 461 HA ALA 63 HA ALA 63 5.986 -3.928 4.875 462 HB1 ALA 63 HB1 ALA 63 5.805 -2.347 3.041 463 HB2 ALA 63 HB2 ALA 63 4.111 -2.071 3.437 464 HB3 ALA 63 HB3 ALA 63 4.633 -3.654 2.848 465 H GLU 64 H GLU 64 4.733 -2.869 7.298 466 HA GLU 64 HA GLU 64 5.283 -0.143 7.483 467 HB2 GLU 64 HB2 GLU 64 4.289 -0.382 9.458 468 HB3 GLU 64 HB3 GLU 64 4.064 -2.055 9.029 469 HG2 GLU 64 HG2 GLU 64 6.241 -0.899 10.743 470 HG3 GLU 64 HG3 GLU 64 4.793 -1.770 11.217 471 H LYS 65 H LYS 65 7.178 -2.931 7.798 472 HA LYS 65 HA LYS 65 9.588 -1.966 8.851 473 HB2 LYS 65 HB2 LYS 65 9.009 -4.211 6.927 474 HB3 LYS 65 HB3 LYS 65 10.604 -3.922 7.601 475 HG2 LYS 65 HG2 LYS 65 9.921 -4.449 9.782 476 HG3 LYS 65 HG3 LYS 65 8.216 -4.280 9.381 477 HD2 LYS 65 HD2 LYS 65 9.990 -6.433 8.226 478 HD3 LYS 65 HD3 LYS 65 9.037 -6.647 9.695 479 HE2 LYS 65 HE2 LYS 65 7.900 -5.915 6.986 480 HE3 LYS 65 HE3 LYS 65 7.911 -7.537 7.668 481 HZ1 LYS 65 HZ1 LYS 65 5.778 -6.290 7.949 482 HZ2 LYS 65 HZ2 LYS 65 6.536 -5.208 8.967 483 HZ3 LYS 65 HZ3 LYS 65 6.421 -6.815 9.412 484 H VAL 66 H VAL 66 8.660 -2.331 5.419 485 HA VAL 66 HA VAL 66 11.021 -1.022 4.576 486 HB VAL 66 HB VAL 66 9.950 -0.920 2.289 487 HG11 VAL 66 HG11 VAL 66 11.348 -2.784 2.912 488 HG12 VAL 66 HG12 VAL 66 9.996 -3.343 1.925 489 HG13 VAL 66 HG13 VAL 66 9.975 -3.582 3.673 490 HG21 VAL 66 HG21 VAL 66 7.756 -2.423 3.644 491 HG22 VAL 66 HG22 VAL 66 7.924 -2.164 1.902 492 HG23 VAL 66 HG23 VAL 66 7.633 -0.795 2.981 493 H LEU 67 H LEU 67 7.802 0.024 5.278 494 HA LEU 67 HA LEU 67 7.981 2.628 4.339 495 HB2 LEU 67 HB2 LEU 67 5.870 1.647 4.996 496 HB3 LEU 67 HB3 LEU 67 6.431 1.463 6.640 497 HG LEU 67 HG LEU 67 6.441 3.890 6.949 498 HD11 LEU 67 HD11 LEU 67 5.399 4.003 4.128 499 HD12 LEU 67 HD12 LEU 67 6.965 4.590 4.691 500 HD13 LEU 67 HD13 LEU 67 5.488 5.369 5.235 501 HD21 LEU 67 HD21 LEU 67 4.024 4.259 6.861 502 HD22 LEU 67 HD22 LEU 67 4.411 2.652 7.479 503 HD23 LEU 67 HD23 LEU 67 3.846 2.848 5.819 504 H LYS 68 H LYS 68 8.811 1.308 7.629 505 HA LYS 68 HA LYS 68 9.539 3.815 8.586 506 HB2 LYS 68 HB2 LYS 68 10.607 2.598 10.440 507 HB3 LYS 68 HB3 LYS 68 8.952 2.096 10.126 508 HG2 LYS 68 HG2 LYS 68 9.870 0.194 8.829 509 HG3 LYS 68 HG3 LYS 68 11.469 0.664 9.390 510 HD2 LYS 68 HD2 LYS 68 10.509 -1.119 10.683 511 HD3 LYS 68 HD3 LYS 68 10.800 0.372 11.639 512 HE2 LYS 68 HE2 LYS 68 8.485 0.855 11.730 513 HE3 LYS 68 HE3 LYS 68 8.127 -0.298 10.446 514 HZ1 LYS 68 HZ1 LYS 68 9.143 -1.183 13.109 515 HZ2 LYS 68 HZ2 LYS 68 8.311 -2.083 11.894 516 HZ3 LYS 68 HZ3 LYS 68 7.505 -0.959 12.767 517 H LYS 69 H LYS 69 11.443 1.303 6.952 518 HA LYS 69 HA LYS 69 13.985 2.472 7.363 519 HB2 LYS 69 HB2 LYS 69 13.015 1.077 4.854 520 HB3 LYS 69 HB3 LYS 69 14.688 1.444 5.215 521 HG2 LYS 69 HG2 LYS 69 14.475 -0.052 7.212 522 HG3 LYS 69 HG3 LYS 69 12.886 -0.514 6.603 523 HD2 LYS 69 HD2 LYS 69 15.467 -0.827 5.040 524 HD3 LYS 69 HD3 LYS 69 14.747 -2.101 6.003 525 HE2 LYS 69 HE2 LYS 69 14.188 -2.505 3.714 526 HE3 LYS 69 HE3 LYS 69 12.724 -1.988 4.518 527 HZ1 LYS 69 HZ1 LYS 69 14.421 -0.192 2.815 528 HZ2 LYS 69 HZ2 LYS 69 12.801 0.115 3.287 529 HZ3 LYS 69 HZ3 LYS 69 13.185 -1.116 2.248 530 H TRP 70 H TRP 70 11.618 2.950 4.805 531 HA TRP 70 HA TRP 70 13.146 4.762 3.304 532 HB2 TRP 70 HB2 TRP 70 11.372 3.401 2.309 533 HB3 TRP 70 HB3 TRP 70 10.168 4.237 3.286 534 HD1 TRP 70 HD1 TRP 70 9.416 6.644 2.514 535 HE1 TRP 70 HE1 TRP 70 9.824 8.009 0.384 536 HE3 TRP 70 HE3 TRP 70 13.104 3.790 0.419 537 HZ2 TRP 70 HZ2 TRP 70 11.456 7.882 -1.896 538 HZ3 TRP 70 HZ3 TRP 70 14.031 4.482 -1.751 539 HH2 TRP 70 HH2 TRP 70 13.224 6.486 -2.885 540 H LYS 71 H LYS 71 10.251 5.289 5.278 541 HA LYS 71 HA LYS 71 10.329 8.066 4.914 542 HB2 LYS 71 HB2 LYS 71 8.460 6.320 5.674 543 HB3 LYS 71 HB3 LYS 71 8.785 7.081 7.247 544 HG2 LYS 71 HG2 LYS 71 8.313 9.267 6.187 545 HG3 LYS 71 HG3 LYS 71 7.985 8.440 4.667 546 HD2 LYS 71 HD2 LYS 71 6.167 7.157 5.922 547 HD3 LYS 71 HD3 LYS 71 6.394 8.316 7.236 548 HE2 LYS 71 HE2 LYS 71 5.959 10.162 5.589 549 HE3 LYS 71 HE3 LYS 71 5.649 8.890 4.403 550 HZ1 LYS 71 HZ1 LYS 71 3.642 9.880 5.368 551 HZ2 LYS 71 HZ2 LYS 71 3.968 9.205 6.869 552 HZ3 LYS 71 HZ3 LYS 71 3.638 8.241 5.557 553 H LYS 72 H LYS 72 11.951 6.060 7.198 554 HA LYS 72 HA LYS 72 12.563 8.189 9.017 555 HB2 LYS 72 HB2 LYS 72 12.698 5.735 9.596 556 HB3 LYS 72 HB3 LYS 72 14.117 5.631 8.576 557 HG2 LYS 72 HG2 LYS 72 14.791 5.748 10.879 558 HG3 LYS 72 HG3 LYS 72 15.260 7.245 10.073 559 HD2 LYS 72 HD2 LYS 72 13.385 8.415 11.044 560 HD3 LYS 72 HD3 LYS 72 12.746 6.914 11.715 561 HE2 LYS 72 HE2 LYS 72 15.378 8.196 12.471 562 HE3 LYS 72 HE3 LYS 72 13.890 8.290 13.411 563 HZ1 LYS 72 HZ1 LYS 72 13.948 5.883 13.663 564 HZ2 LYS 72 HZ2 LYS 72 15.356 6.581 14.277 565 HZ3 LYS 72 HZ3 LYS 72 15.388 5.794 12.782 566 H ARG 73 H ARG 73 14.251 6.644 6.264 567 HA ARG 73 HA ARG 73 16.516 8.433 6.504 568 HB2 ARG 73 HB2 ARG 73 15.806 6.353 4.448 569 HB3 ARG 73 HB3 ARG 73 17.271 7.316 4.389 570 HG2 ARG 73 HG2 ARG 73 16.567 5.583 6.747 571 HG3 ARG 73 HG3 ARG 73 17.472 4.980 5.361 572 HD2 ARG 73 HD2 ARG 73 18.984 5.624 7.170 573 HD3 ARG 73 HD3 ARG 73 19.215 6.658 5.769 574 HE ARG 73 HE ARG 73 17.416 7.706 7.740 575 HH11 ARG 73 HH11 ARG 73 20.809 7.467 6.813 576 HH12 ARG 73 HH12 ARG 73 21.309 8.917 7.546 577 HH21 ARG 73 HH21 ARG 73 18.070 9.771 8.772 578 HH22 ARG 73 HH22 ARG 73 19.692 10.265 8.702 579 H LYS 74 H LYS 74 13.579 8.454 4.687 580 HA LYS 74 HA LYS 74 14.551 10.748 3.149 581 HB2 LYS 74 HB2 LYS 74 14.088 9.090 1.577 582 HB3 LYS 74 HB3 LYS 74 12.740 8.457 2.488 583 HG2 LYS 74 HG2 LYS 74 12.033 9.473 0.382 584 HG3 LYS 74 HG3 LYS 74 11.346 10.306 1.765 585 HD2 LYS 74 HD2 LYS 74 12.969 12.109 1.498 586 HD3 LYS 74 HD3 LYS 74 13.722 11.250 0.150 587 HE2 LYS 74 HE2 LYS 74 12.115 13.079 -0.525 588 HE3 LYS 74 HE3 LYS 74 11.768 11.495 -1.207 589 HZ1 LYS 74 HZ1 LYS 74 10.337 12.649 1.182 590 HZ2 LYS 74 HZ2 LYS 74 10.038 11.174 0.375 591 HZ3 LYS 74 HZ3 LYS 74 9.718 12.554 -0.390 592 H LYS 75 H LYS 75 13.565 12.628 3.373 593 HA LYS 75 HA LYS 75 11.054 12.728 4.836 594 HB2 LYS 75 HB2 LYS 75 13.157 14.880 4.382 595 HB3 LYS 75 HB3 LYS 75 11.622 15.142 5.204 596 HG2 LYS 75 HG2 LYS 75 13.748 13.219 6.114 597 HG3 LYS 75 HG3 LYS 75 13.521 14.848 6.747 598 HD2 LYS 75 HD2 LYS 75 11.656 14.285 7.921 599 HD3 LYS 75 HD3 LYS 75 11.118 13.091 6.746 600 HE2 LYS 75 HE2 LYS 75 13.435 12.744 8.634 601 HE3 LYS 75 HE3 LYS 75 11.816 12.083 8.880 602 HZ1 LYS 75 HZ1 LYS 75 13.461 10.497 7.834 603 HZ2 LYS 75 HZ2 LYS 75 13.402 11.471 6.448 604 HZ3 LYS 75 HZ3 LYS 75 12.032 10.712 6.988 605 H1 ALA 1 H1 ALA 1 10.336 -22.099 5.810 606 H2 ALA 1 H2 ALA 1 8.946 -22.973 6.300 607 H3 ALA 1 H3 ALA 1 9.523 -21.644 7.200 608 HA ALA 1 HA ALA 1 8.544 -21.367 4.463 609 HB1 ALA 1 HB1 ALA 1 6.707 -21.972 5.984 610 HB2 ALA 1 HB2 ALA 1 6.596 -20.275 5.513 611 HB3 ALA 1 HB3 ALA 1 7.216 -20.709 7.105 612 H ARG 2 H ARG 2 8.217 -18.947 4.070 613 HA ARG 2 HA ARG 2 10.005 -17.378 5.725 614 HB2 ARG 2 HB2 ARG 2 10.076 -17.690 2.764 615 HB3 ARG 2 HB3 ARG 2 10.411 -16.108 3.439 616 HG2 ARG 2 HG2 ARG 2 11.915 -18.662 3.986 617 HG3 ARG 2 HG3 ARG 2 12.474 -17.284 3.035 618 HD2 ARG 2 HD2 ARG 2 12.027 -17.434 6.021 619 HD3 ARG 2 HD3 ARG 2 13.511 -17.071 5.155 620 HE ARG 2 HE ARG 2 11.584 -15.128 4.512 621 HH11 ARG 2 HH11 ARG 2 13.740 -16.044 7.157 622 HH12 ARG 2 HH12 ARG 2 13.669 -14.544 7.952 623 HH21 ARG 2 HH21 ARG 2 11.405 -13.060 5.625 624 HH22 ARG 2 HH22 ARG 2 12.300 -12.776 7.033 625 H THR 3 H THR 3 9.459 -15.279 6.033 626 HA THR 3 HA THR 3 6.858 -14.482 5.053 627 HB THR 3 HB THR 3 7.068 -12.971 7.150 628 HG1 THR 3 HG1 THR 3 8.374 -14.218 8.767 629 HG21 THR 3 HG21 THR 3 6.746 -15.969 7.467 630 HG22 THR 3 HG22 THR 3 5.474 -14.845 6.988 631 HG23 THR 3 HG23 THR 3 6.167 -14.754 8.606 632 H LYS 4 H LYS 4 6.701 -12.348 4.256 633 HA LYS 4 HA LYS 4 9.075 -10.687 4.239 634 HB2 LYS 4 HB2 LYS 4 9.040 -11.945 2.044 635 HB3 LYS 4 HB3 LYS 4 7.432 -11.305 1.742 636 HG2 LYS 4 HG2 LYS 4 8.441 -8.993 1.896 637 HG3 LYS 4 HG3 LYS 4 10.019 -9.766 1.909 638 HD2 LYS 4 HD2 LYS 4 7.969 -10.078 -0.281 639 HD3 LYS 4 HD3 LYS 4 9.290 -8.916 -0.315 640 HE2 LYS 4 HE2 LYS 4 10.900 -10.757 -0.227 641 HE3 LYS 4 HE3 LYS 4 9.569 -11.917 -0.186 642 HZ1 LYS 4 HZ1 LYS 4 10.129 -9.984 -2.355 643 HZ2 LYS 4 HZ2 LYS 4 8.822 -11.106 -2.283 644 HZ3 LYS 4 HZ3 LYS 4 10.404 -11.655 -2.450 645 H GLN 5 H GLN 5 8.448 -8.470 3.788 646 HA GLN 5 HA GLN 5 6.026 -7.607 4.918 647 HB2 GLN 5 HB2 GLN 5 6.693 -5.390 3.894 648 HB3 GLN 5 HB3 GLN 5 7.912 -6.091 4.955 649 HG2 GLN 5 HG2 GLN 5 8.031 -6.534 1.997 650 HG3 GLN 5 HG3 GLN 5 8.567 -5.004 2.670 651 HE21 GLN 5 HE21 GLN 5 10.645 -5.589 1.736 652 HE22 GLN 5 HE22 GLN 5 11.687 -6.658 2.580 653 H THR 6 H THR 6 4.040 -7.134 3.926 654 HA THR 6 HA THR 6 3.913 -7.203 1.034 655 HB THR 6 HB THR 6 2.065 -8.710 1.008 656 HG1 THR 6 HG1 THR 6 1.340 -9.689 3.031 657 HG21 THR 6 HG21 THR 6 2.924 -10.820 1.817 658 HG22 THR 6 HG22 THR 6 4.126 -9.992 2.804 659 HG23 THR 6 HG23 THR 6 4.232 -9.917 1.043 660 H ALA 7 H ALA 7 1.668 -6.361 0.347 661 HA ALA 7 HA ALA 7 0.237 -4.907 2.397 662 HB1 ALA 7 HB1 ALA 7 1.420 -3.492 -0.010 663 HB2 ALA 7 HB2 ALA 7 1.908 -3.271 1.663 664 HB3 ALA 7 HB3 ALA 7 0.294 -2.787 1.149 665 H ARG 8 H ARG 8 -1.707 -3.813 1.248 666 HA ARG 8 HA ARG 8 -3.189 -5.954 0.199 667 HB2 ARG 8 HB2 ARG 8 -4.097 -3.151 -0.128 668 HB3 ARG 8 HB3 ARG 8 -5.050 -4.601 0.026 669 HG2 ARG 8 HG2 ARG 8 -4.155 -4.698 2.433 670 HG3 ARG 8 HG3 ARG 8 -3.645 -3.024 2.146 671 HD2 ARG 8 HD2 ARG 8 -6.435 -4.145 2.079 672 HD3 ARG 8 HD3 ARG 8 -5.777 -2.792 3.008 673 HE ARG 8 HE ARG 8 -5.584 -1.563 0.944 674 HH11 ARG 8 HH11 ARG 8 -7.555 -4.514 0.677 675 HH12 ARG 8 HH12 ARG 8 -8.649 -3.921 -0.413 676 HH21 ARG 8 HH21 ARG 8 -7.067 -0.681 -0.675 677 HH22 ARG 8 HH22 ARG 8 -8.407 -1.613 -1.190 678 H M3L 9 H M3L 9 -2.423 -2.901 -1.419 679 HA M3L 9 HA M3L 9 -2.323 -2.222 -3.541 680 HB2 M3L 9 1HB M3L 9 -1.464 -4.547 -4.233 681 HB3 M3L 9 2HB M3L 9 -3.134 -4.919 -4.627 682 HG2 M3L 9 1HG M3L 9 -1.946 -2.448 -5.786 683 HG3 M3L 9 2HG M3L 9 -3.173 -3.525 -6.448 684 HD2 M3L 9 1HD M3L 9 -0.694 -3.429 -7.382 685 HD3 M3L 9 2HD M3L 9 -0.398 -4.598 -6.114 686 HE2 M3L 9 1HE M3L 9 -2.521 -4.778 -8.261 687 HE3 M3L 9 2HE M3L 9 -2.288 -5.965 -6.999 688 HM11 M3L 9 1HM1 M3L 9 -0.684 -7.693 -9.987 689 HM12 M3L 9 2HM1 M3L 9 -1.825 -7.865 -8.661 690 HM13 M3L 9 3HM1 M3L 9 -2.170 -6.774 -9.959 691 HM21 M3L 9 1HM2 M3L 9 0.855 -7.405 -8.169 692 HM22 M3L 9 2HM2 M3L 9 0.139 -6.773 -6.682 693 HM23 M3L 9 3HM2 M3L 9 1.238 -5.824 -7.629 694 HM31 M3L 9 3HM3 M3L 9 0.968 -5.127 -9.600 695 HM32 M3L 9 1HM3 M3L 9 -0.504 -5.012 -10.528 696 HM33 M3L 9 2HM3 M3L 9 -0.201 -3.943 -9.187 697 H SER 10 H SER 10 -3.911 -0.850 -3.501 698 HA SER 10 HA SER 10 -6.443 -1.651 -2.605 699 HB2 SER 10 HB2 SER 10 -5.380 1.073 -3.301 700 HB3 SER 10 HB3 SER 10 -7.091 0.833 -2.857 701 HG SER 10 HG SER 10 -4.727 0.609 -1.601 702 H THR 11 H THR 11 -7.278 -3.033 -3.858 703 HA THR 11 HA THR 11 -9.201 -1.933 -5.677 704 HB THR 11 HB THR 11 -7.548 -4.394 -6.444 705 HG1 THR 11 HG1 THR 11 -6.986 -1.773 -6.817 706 HG21 THR 11 HG21 THR 11 -8.692 -4.187 -8.609 707 HG22 THR 11 HG22 THR 11 -9.577 -2.785 -8.010 708 HG23 THR 11 HG23 THR 11 -9.855 -4.374 -7.296 709 H GLY 12 H GLY 12 -11.155 -3.146 -5.301 710 HA2 GLY 12 HA2 GLY 12 -10.849 -5.286 -3.297 711 HA3 GLY 12 HA3 GLY 12 -12.172 -4.119 -3.282 712 H GLY 13 H GLY 13 -12.228 -7.122 -3.548 713 HA2 GLY 13 HA2 GLY 13 -13.691 -8.437 -4.696 714 HA3 GLY 13 HA3 GLY 13 -13.890 -7.162 -5.901 715 H LYS 14 H LYS 14 -10.979 -8.745 -4.655 716 HA LYS 14 HA LYS 14 -10.060 -8.922 -7.391 717 HB2 LYS 14 HB2 LYS 14 -8.565 -9.847 -4.920 718 HB3 LYS 14 HB3 LYS 14 -7.906 -9.700 -6.534 719 HG2 LYS 14 HG2 LYS 14 -8.442 -7.181 -6.306 720 HG3 LYS 14 HG3 LYS 14 -8.606 -7.525 -4.579 721 HD2 LYS 14 HD2 LYS 14 -6.328 -8.564 -4.635 722 HD3 LYS 14 HD3 LYS 14 -6.173 -8.034 -6.303 723 HE2 LYS 14 HE2 LYS 14 -5.062 -6.345 -5.167 724 HE3 LYS 14 HE3 LYS 14 -6.678 -5.687 -5.315 725 HZ1 LYS 14 HZ1 LYS 14 -7.103 -6.370 -2.941 726 HZ2 LYS 14 HZ2 LYS 14 -5.816 -5.339 -3.134 727 HZ3 LYS 14 HZ3 LYS 14 -5.522 -6.954 -2.892 728 H ALA 15 H ALA 15 -11.519 -10.345 -8.165 729 HA ALA 15 HA ALA 15 -11.690 -13.011 -7.105 730 HB1 ALA 15 HB1 ALA 15 -13.686 -11.922 -7.999 731 HB2 ALA 15 HB2 ALA 15 -13.305 -13.389 -8.903 732 HB3 ALA 15 HB3 ALA 15 -12.918 -11.810 -9.584 733 HA PRO 16 HA PRO 16 -8.294 -14.523 -9.652 734 HB2 PRO 16 HB2 PRO 16 -9.529 -17.150 -9.043 735 HB3 PRO 16 HB3 PRO 16 -7.875 -16.594 -8.715 736 HG2 PRO 16 HG2 PRO 16 -9.603 -16.900 -6.740 737 HG3 PRO 16 HG3 PRO 16 -8.437 -15.560 -6.753 738 HD2 PRO 16 HD2 PRO 16 -11.353 -15.506 -7.374 739 HD3 PRO 16 HD3 PRO 16 -10.340 -14.333 -6.500 740 H ARG 17 H ARG 17 -8.133 -15.359 -11.740 741 HA ARG 17 HA ARG 17 -10.585 -16.186 -13.073 742 HB2 ARG 17 HB2 ARG 17 -10.057 -14.706 -14.979 743 HB3 ARG 17 HB3 ARG 17 -10.443 -13.797 -13.524 744 HG2 ARG 17 HG2 ARG 17 -8.264 -13.054 -13.251 745 HG3 ARG 17 HG3 ARG 17 -7.584 -14.392 -14.177 746 HD2 ARG 17 HD2 ARG 17 -9.264 -12.190 -15.375 747 HD3 ARG 17 HD3 ARG 17 -7.497 -12.186 -15.350 748 HE ARG 17 HE ARG 17 -7.912 -14.524 -16.496 749 HH11 ARG 17 HH11 ARG 17 -9.388 -11.416 -17.274 750 HH12 ARG 17 HH12 ARG 17 -9.780 -11.853 -18.883 751 HH21 ARG 17 HH21 ARG 17 -8.482 -15.161 -18.549 752 HH22 ARG 17 HH22 ARG 17 -9.218 -14.123 -19.670 753 H TYR 18 H TYR 18 -9.927 -16.788 -15.394 754 HA TYR 18 HA TYR 18 -7.309 -18.069 -15.409 755 HB2 TYR 18 HB2 TYR 18 -9.802 -18.667 -17.059 756 HB3 TYR 18 HB3 TYR 18 -8.280 -19.541 -17.155 757 HD1 TYR 18 HD2 TYR 18 -7.594 -21.026 -15.291 758 HD2 TYR 18 HD1 TYR 18 -11.399 -19.123 -15.336 759 HE1 TYR 18 HE2 TYR 18 -8.392 -22.589 -13.569 760 HE2 TYR 18 HE1 TYR 18 -12.204 -20.680 -13.613 761 HH TYR 18 HH TYR 18 -11.675 -22.907 -12.754 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -16.604 -1.642 34.705 2 H2 MET 1 H2 MET 1 -17.304 -2.246 36.099 3 H3 MET 1 H3 MET 1 -16.642 -0.665 36.098 4 HA MET 1 HA MET 1 -19.079 -0.635 35.915 5 HB2 MET 1 HB2 MET 1 -17.608 0.062 33.352 6 HB3 MET 1 HB3 MET 1 -19.244 0.579 33.724 7 HG2 MET 1 HG2 MET 1 -18.467 1.918 35.555 8 HG3 MET 1 HG3 MET 1 -16.836 1.275 35.385 9 HE1 MET 1 HE1 MET 1 -19.634 3.511 33.715 10 HE2 MET 1 HE2 MET 1 -19.268 2.356 32.432 11 HE3 MET 1 HE3 MET 1 -18.812 4.048 32.250 12 H VAL 2 H VAL 2 -20.971 -1.369 34.747 13 HA VAL 2 HA VAL 2 -20.469 -3.869 33.405 14 HB VAL 2 HB VAL 2 -22.164 -3.958 35.173 15 HG11 VAL 2 HG11 VAL 2 -23.688 -1.856 33.651 16 HG12 VAL 2 HG12 VAL 2 -22.914 -1.664 35.224 17 HG13 VAL 2 HG13 VAL 2 -24.293 -2.751 35.045 18 HG21 VAL 2 HG21 VAL 2 -24.070 -4.895 33.925 19 HG22 VAL 2 HG22 VAL 2 -22.519 -5.437 33.284 20 HG23 VAL 2 HG23 VAL 2 -23.430 -4.182 32.444 21 H SER 3 H SER 3 -20.236 -3.863 31.323 22 HA SER 3 HA SER 3 -21.866 -2.206 29.613 23 HB2 SER 3 HB2 SER 3 -18.834 -2.004 29.545 24 HB3 SER 3 HB3 SER 3 -19.976 -1.112 28.539 25 HG SER 3 HG SER 3 -20.771 -0.504 30.844 26 H VAL 4 H VAL 4 -21.802 -3.019 27.431 27 HA VAL 4 HA VAL 4 -20.908 -5.785 27.325 28 HB VAL 4 HB VAL 4 -22.668 -4.228 25.393 29 HG11 VAL 4 HG11 VAL 4 -23.282 -6.427 24.484 30 HG12 VAL 4 HG12 VAL 4 -22.135 -7.194 25.580 31 HG13 VAL 4 HG13 VAL 4 -21.555 -6.110 24.317 32 HG21 VAL 4 HG21 VAL 4 -23.459 -6.189 27.549 33 HG22 VAL 4 HG22 VAL 4 -24.554 -5.480 26.360 34 HG23 VAL 4 HG23 VAL 4 -23.764 -4.453 27.558 35 H LYS 5 H LYS 5 -19.253 -6.331 26.158 36 HA LYS 5 HA LYS 5 -17.900 -4.281 24.580 37 HB2 LYS 5 HB2 LYS 5 -16.810 -6.575 26.212 38 HB3 LYS 5 HB3 LYS 5 -15.825 -5.541 25.185 39 HG2 LYS 5 HG2 LYS 5 -16.242 -3.629 26.537 40 HG3 LYS 5 HG3 LYS 5 -17.509 -4.461 27.434 41 HD2 LYS 5 HD2 LYS 5 -14.607 -5.290 27.459 42 HD3 LYS 5 HD3 LYS 5 -15.335 -4.221 28.658 43 HE2 LYS 5 HE2 LYS 5 -16.208 -7.066 28.081 44 HE3 LYS 5 HE3 LYS 5 -15.230 -6.546 29.446 45 HZ1 LYS 5 HZ1 LYS 5 -18.034 -5.630 28.936 46 HZ2 LYS 5 HZ2 LYS 5 -17.063 -5.208 30.239 47 HZ3 LYS 5 HZ3 LYS 5 -17.562 -6.806 30.054 48 HA PRO 6 HA PRO 6 -18.197 -7.397 21.362 49 HB2 PRO 6 HB2 PRO 6 -15.884 -6.440 19.947 50 HB3 PRO 6 HB3 PRO 6 -17.580 -6.070 19.592 51 HG2 PRO 6 HG2 PRO 6 -15.765 -4.219 20.464 52 HG3 PRO 6 HG3 PRO 6 -17.523 -4.079 20.650 53 HD2 PRO 6 HD2 PRO 6 -15.486 -4.920 22.657 54 HD3 PRO 6 HD3 PRO 6 -16.951 -3.933 22.861 55 H LEU 7 H LEU 7 -17.584 -9.429 21.778 56 HA LEU 7 HA LEU 7 -14.817 -9.951 22.507 57 HB2 LEU 7 HB2 LEU 7 -17.331 -11.600 22.816 58 HB3 LEU 7 HB3 LEU 7 -15.751 -12.328 22.970 59 HG LEU 7 HG LEU 7 -15.297 -10.740 24.875 60 HD11 LEU 7 HD11 LEU 7 -18.241 -10.168 24.681 61 HD12 LEU 7 HD12 LEU 7 -16.934 -9.024 24.380 62 HD13 LEU 7 HD13 LEU 7 -17.171 -9.685 25.998 63 HD21 LEU 7 HD21 LEU 7 -17.619 -12.631 25.177 64 HD22 LEU 7 HD22 LEU 7 -16.623 -12.003 26.491 65 HD23 LEU 7 HD23 LEU 7 -15.907 -13.048 25.265 66 HA PRO 8 HA PRO 8 -14.001 -11.756 18.560 67 HB2 PRO 8 HB2 PRO 8 -12.321 -13.855 19.699 68 HB3 PRO 8 HB3 PRO 8 -11.824 -12.423 18.779 69 HG2 PRO 8 HG2 PRO 8 -11.272 -12.700 21.389 70 HG3 PRO 8 HG3 PRO 8 -11.570 -11.125 20.627 71 HD2 PRO 8 HD2 PRO 8 -13.425 -12.786 22.275 72 HD3 PRO 8 HD3 PRO 8 -13.148 -11.030 22.298 73 H ASP 9 H ASP 9 -15.816 -12.686 17.838 74 HA ASP 9 HA ASP 9 -16.699 -15.336 18.622 75 HB2 ASP 9 HB2 ASP 9 -18.365 -13.710 17.926 76 HB3 ASP 9 HB3 ASP 9 -17.507 -13.406 16.424 77 H ILE 10 H ILE 10 -14.946 -13.761 16.127 78 HA ILE 10 HA ILE 10 -14.475 -16.190 14.606 79 HB ILE 10 HB ILE 10 -13.445 -13.357 14.138 80 HG12 ILE 10 HG12 ILE 10 -15.789 -14.774 12.839 81 HG13 ILE 10 HG13 ILE 10 -15.920 -13.508 14.051 82 HG21 ILE 10 HG21 ILE 10 -13.521 -15.747 12.280 83 HG22 ILE 10 HG22 ILE 10 -12.078 -15.071 13.032 84 HG23 ILE 10 HG23 ILE 10 -12.977 -14.126 11.844 85 HD11 ILE 10 HD11 ILE 10 -14.736 -13.207 11.296 86 HD12 ILE 10 HD12 ILE 10 -14.866 -11.931 12.506 87 HD13 ILE 10 HD13 ILE 10 -16.325 -12.643 11.816 88 H ASP 11 H ASP 11 -12.405 -17.097 14.438 89 HA ASP 11 HA ASP 11 -10.773 -16.987 16.737 90 HB2 ASP 11 HB2 ASP 11 -11.054 -19.015 15.284 91 HB3 ASP 11 HB3 ASP 11 -10.099 -18.215 14.042 92 H SER 12 H SER 12 -8.301 -16.714 16.470 93 HA SER 12 HA SER 12 -7.993 -13.979 15.513 94 HB2 SER 12 HB2 SER 12 -7.660 -14.344 17.920 95 HB3 SER 12 HB3 SER 12 -6.382 -15.502 17.568 96 HG SER 12 HG SER 12 -5.564 -13.552 16.286 97 H ASN 13 H ASN 13 -7.026 -17.181 14.686 98 HA ASN 13 HA ASN 13 -4.455 -16.487 13.780 99 HB2 ASN 13 HB2 ASN 13 -6.082 -18.938 13.595 100 HB3 ASN 13 HB3 ASN 13 -4.899 -18.714 12.314 101 HD21 ASN 13 HD21 ASN 13 -2.893 -17.320 13.927 102 HD22 ASN 13 HD22 ASN 13 -2.281 -18.499 15.010 103 H GLU 14 H GLU 14 -3.614 -16.513 11.777 104 HA GLU 14 HA GLU 14 -5.092 -14.684 10.132 105 HB2 GLU 14 HB2 GLU 14 -2.248 -15.529 9.693 106 HB3 GLU 14 HB3 GLU 14 -3.019 -14.008 9.290 107 HG2 GLU 14 HG2 GLU 14 -1.688 -13.395 11.076 108 HG3 GLU 14 HG3 GLU 14 -3.212 -13.734 11.891 109 H GLY 15 H GLY 15 -5.746 -15.065 8.157 110 HA2 GLY 15 HA2 GLY 15 -5.072 -17.611 6.832 111 HA3 GLY 15 HA3 GLY 15 -6.508 -16.640 6.476 112 H GLU 16 H GLU 16 -5.548 -16.818 4.147 113 HA GLU 16 HA GLU 16 -3.506 -14.776 4.013 114 HB2 GLU 16 HB2 GLU 16 -2.694 -15.664 1.920 115 HB3 GLU 16 HB3 GLU 16 -2.750 -16.960 3.089 116 HG2 GLU 16 HG2 GLU 16 -3.446 -17.901 1.050 117 HG3 GLU 16 HG3 GLU 16 -4.925 -17.669 1.975 118 H THR 17 H THR 17 -3.930 -12.963 3.165 119 HA THR 17 HA THR 17 -6.280 -12.731 1.437 120 HB THR 17 HB THR 17 -4.809 -10.447 2.794 121 HG1 THR 17 HG1 THR 17 -6.490 -12.400 3.794 122 HG21 THR 17 HG21 THR 17 -6.995 -9.334 2.589 123 HG22 THR 17 HG22 THR 17 -7.690 -10.803 1.904 124 HG23 THR 17 HG23 THR 17 -6.463 -9.909 1.008 125 H ASP 18 H ASP 18 -3.353 -13.583 1.131 126 HA ASP 18 HA ASP 18 -1.721 -11.572 0.013 127 HB2 ASP 18 HB2 ASP 18 -1.060 -13.788 1.135 128 HB3 ASP 18 HB3 ASP 18 -1.426 -14.554 -0.397 129 H ALA 19 H ALA 19 -3.932 -13.889 -1.357 130 HA ALA 19 HA ALA 19 -3.384 -13.685 -4.063 131 HB1 ALA 19 HB1 ALA 19 -6.124 -13.849 -2.810 132 HB2 ALA 19 HB2 ALA 19 -5.049 -15.216 -3.108 133 HB3 ALA 19 HB3 ALA 19 -5.708 -14.297 -4.464 134 H ASP 20 H ASP 20 -4.876 -11.293 -2.012 135 HA ASP 20 HA ASP 20 -5.062 -9.428 -4.279 136 HB2 ASP 20 HB2 ASP 20 -7.362 -10.111 -3.732 137 HB3 ASP 20 HB3 ASP 20 -7.091 -9.788 -2.032 138 H VAL 21 H VAL 21 -3.179 -10.075 -1.948 139 HA VAL 21 HA VAL 21 -2.593 -7.296 -1.283 140 HB VAL 21 HB VAL 21 -2.817 -9.564 0.762 141 HG11 VAL 21 HG11 VAL 21 -0.767 -8.344 1.197 142 HG12 VAL 21 HG12 VAL 21 -1.965 -8.031 2.455 143 HG13 VAL 21 HG13 VAL 21 -1.660 -6.824 1.204 144 HG21 VAL 21 HG21 VAL 21 -4.345 -8.084 1.949 145 HG22 VAL 21 HG22 VAL 21 -4.881 -8.424 0.296 146 HG23 VAL 21 HG23 VAL 21 -4.146 -6.869 0.677 147 H TYR 22 H TYR 22 -0.535 -7.019 -1.836 148 HA TYR 22 HA TYR 22 0.758 -9.515 -2.630 149 HB2 TYR 22 HB2 TYR 22 0.867 -6.836 -3.988 150 HB3 TYR 22 HB3 TYR 22 1.773 -8.264 -4.488 151 HD1 TYR 22 HD1 TYR 22 0.639 -10.169 -5.485 152 HD2 TYR 22 HD2 TYR 22 -1.527 -6.702 -4.333 153 HE1 TYR 22 HE1 TYR 22 -1.300 -10.956 -6.774 154 HE2 TYR 22 HE2 TYR 22 -3.471 -7.478 -5.616 155 HH TYR 22 HH TYR 22 -3.913 -10.493 -6.546 156 H GLU 23 H GLU 23 3.051 -9.369 -2.997 157 HA GLU 23 HA GLU 23 4.175 -8.871 -0.478 158 HB2 GLU 23 HB2 GLU 23 4.668 -10.785 -2.009 159 HB3 GLU 23 HB3 GLU 23 5.465 -9.588 -3.033 160 HG2 GLU 23 HG2 GLU 23 7.059 -9.103 -1.311 161 HG3 GLU 23 HG3 GLU 23 6.233 -10.214 -0.220 162 H VAL 24 H VAL 24 5.598 -7.393 0.089 163 HA VAL 24 HA VAL 24 6.016 -5.240 -1.792 164 HB VAL 24 HB VAL 24 6.244 -5.389 1.234 165 HG11 VAL 24 HG11 VAL 24 8.051 -3.954 0.336 166 HG12 VAL 24 HG12 VAL 24 6.802 -3.073 1.230 167 HG13 VAL 24 HG13 VAL 24 6.817 -3.017 -0.539 168 HG21 VAL 24 HG21 VAL 24 4.504 -3.829 -0.638 169 HG22 VAL 24 HG22 VAL 24 4.510 -3.668 1.112 170 HG23 VAL 24 HG23 VAL 24 4.009 -5.191 0.367 171 H GLU 25 H GLU 25 7.682 -5.528 -2.971 172 HA GLU 25 HA GLU 25 9.913 -7.145 -2.286 173 HB2 GLU 25 HB2 GLU 25 8.890 -6.431 -4.625 174 HB3 GLU 25 HB3 GLU 25 9.886 -5.018 -4.411 175 HG2 GLU 25 HG2 GLU 25 11.885 -6.303 -4.447 176 HG3 GLU 25 HG3 GLU 25 10.975 -7.816 -4.406 177 H ASP 26 H ASP 26 9.474 -3.635 -2.891 178 HA ASP 26 HA ASP 26 10.389 -2.780 -0.431 179 HB2 ASP 26 HB2 ASP 26 12.647 -3.580 -1.697 180 HB3 ASP 26 HB3 ASP 26 12.491 -1.985 -2.431 181 H ILE 27 H ILE 27 11.085 -0.299 -0.808 182 HA ILE 27 HA ILE 27 8.859 0.764 -2.423 183 HB ILE 27 HB ILE 27 10.637 2.436 -0.635 184 HG12 ILE 27 HG12 ILE 27 9.905 0.578 0.816 185 HG13 ILE 27 HG13 ILE 27 9.127 2.077 1.286 186 HG21 ILE 27 HG21 ILE 27 9.074 3.640 -2.083 187 HG22 ILE 27 HG22 ILE 27 8.609 3.843 -0.404 188 HG23 ILE 27 HG23 ILE 27 7.722 2.731 -1.427 189 HD11 ILE 27 HD11 ILE 27 7.608 0.193 1.406 190 HD12 ILE 27 HD12 ILE 27 7.872 -0.148 -0.305 191 HD13 ILE 27 HD13 ILE 27 7.079 1.352 0.187 192 H LEU 28 H LEU 28 9.302 2.239 -4.080 193 HA LEU 28 HA LEU 28 12.115 2.287 -4.902 194 HB2 LEU 28 HB2 LEU 28 9.621 2.632 -6.536 195 HB3 LEU 28 HB3 LEU 28 11.248 2.766 -7.181 196 HG LEU 28 HG LEU 28 9.948 0.285 -6.043 197 HD11 LEU 28 HD11 LEU 28 9.093 0.876 -8.223 198 HD12 LEU 28 HD12 LEU 28 10.133 -0.547 -8.350 199 HD13 LEU 28 HD13 LEU 28 10.733 1.032 -8.848 200 HD21 LEU 28 HD21 LEU 28 12.709 0.659 -7.218 201 HD22 LEU 28 HD22 LEU 28 11.972 -0.890 -6.811 202 HD23 LEU 28 HD23 LEU 28 12.334 0.271 -5.535 203 H ALA 29 H ALA 29 9.430 4.339 -4.086 204 HA ALA 29 HA ALA 29 11.063 6.591 -3.692 205 HB1 ALA 29 HB1 ALA 29 9.218 6.720 -6.100 206 HB2 ALA 29 HB2 ALA 29 10.980 6.769 -6.154 207 HB3 ALA 29 HB3 ALA 29 10.086 8.088 -5.400 208 H ASP 30 H ASP 30 9.399 8.583 -3.431 209 HA ASP 30 HA ASP 30 6.895 7.605 -2.424 210 HB2 ASP 30 HB2 ASP 30 7.151 8.793 -0.245 211 HB3 ASP 30 HB3 ASP 30 8.283 7.461 -0.466 212 H ARG 31 H ARG 31 5.475 9.483 -1.646 213 HA ARG 31 HA ARG 31 5.825 12.003 -2.926 214 HB2 ARG 31 HB2 ARG 31 5.307 10.502 -4.853 215 HB3 ARG 31 HB3 ARG 31 3.855 9.958 -4.056 216 HG2 ARG 31 HG2 ARG 31 2.987 12.299 -4.210 217 HG3 ARG 31 HG3 ARG 31 4.422 12.709 -5.154 218 HD2 ARG 31 HD2 ARG 31 3.808 11.032 -6.821 219 HD3 ARG 31 HD3 ARG 31 2.391 10.593 -5.869 220 HE ARG 31 HE ARG 31 2.822 13.190 -7.165 221 HH11 ARG 31 HH11 ARG 31 0.593 10.672 -5.946 222 HH12 ARG 31 HH12 ARG 31 -0.793 11.355 -6.517 223 HH21 ARG 31 HH21 ARG 31 0.819 14.181 -8.069 224 HH22 ARG 31 HH22 ARG 31 -0.673 13.392 -7.795 225 H VAL 32 H VAL 32 3.503 13.148 -2.665 226 HA VAL 32 HA VAL 32 2.095 12.056 -0.412 227 HB VAL 32 HB VAL 32 3.847 13.591 0.458 228 HG11 VAL 32 HG11 VAL 32 3.625 16.018 0.177 229 HG12 VAL 32 HG12 VAL 32 2.378 15.740 -1.040 230 HG13 VAL 32 HG13 VAL 32 4.026 15.179 -1.323 231 HG21 VAL 32 HG21 VAL 32 1.847 13.209 1.736 232 HG22 VAL 32 HG22 VAL 32 1.011 14.511 0.888 233 HG23 VAL 32 HG23 VAL 32 2.372 14.882 1.954 234 H ASN 33 H ASN 33 -0.072 12.611 -0.332 235 HA ASN 33 HA ASN 33 -1.302 13.561 -2.804 236 HB2 ASN 33 HB2 ASN 33 -2.444 12.923 -0.060 237 HB3 ASN 33 HB3 ASN 33 -3.412 13.466 -1.403 238 HD21 ASN 33 HD21 ASN 33 -1.650 10.845 0.010 239 HD22 ASN 33 HD22 ASN 33 -2.328 9.620 -1.004 240 H LYS 34 H LYS 34 -3.069 15.269 -2.462 241 HA LYS 34 HA LYS 34 -2.010 17.578 -1.025 242 HB2 LYS 34 HB2 LYS 34 -3.810 18.853 -2.065 243 HB3 LYS 34 HB3 LYS 34 -3.057 17.849 -3.295 244 HG2 LYS 34 HG2 LYS 34 -4.889 16.304 -3.256 245 HG3 LYS 34 HG3 LYS 34 -5.586 17.089 -1.843 246 HD2 LYS 34 HD2 LYS 34 -5.893 19.145 -3.215 247 HD3 LYS 34 HD3 LYS 34 -5.332 18.238 -4.621 248 HE2 LYS 34 HE2 LYS 34 -7.784 18.312 -4.529 249 HE3 LYS 34 HE3 LYS 34 -7.183 16.665 -4.362 250 HZ1 LYS 34 HZ1 LYS 34 -8.019 18.384 -2.070 251 HZ2 LYS 34 HZ2 LYS 34 -7.593 16.745 -1.991 252 HZ3 LYS 34 HZ3 LYS 34 -8.988 17.210 -2.792 253 H ASN 35 H ASN 35 -4.179 15.068 -0.647 254 HA ASN 35 HA ASN 35 -6.074 16.248 1.119 255 HB2 ASN 35 HB2 ASN 35 -5.484 13.318 0.677 256 HB3 ASN 35 HB3 ASN 35 -6.899 13.966 1.492 257 HD21 ASN 35 HD21 ASN 35 -6.731 12.251 -0.829 258 HD22 ASN 35 HD22 ASN 35 -7.539 13.047 -2.112 259 H GLY 36 H GLY 36 -2.918 15.006 1.569 260 HA2 GLY 36 HA2 GLY 36 -1.790 15.525 3.626 261 HA3 GLY 36 HA3 GLY 36 -3.303 15.248 4.476 262 H ILE 37 H ILE 37 -2.548 12.997 2.035 263 HA ILE 37 HA ILE 37 -1.694 11.064 4.083 264 HB ILE 37 HB ILE 37 -3.127 10.490 1.440 265 HG12 ILE 37 HG12 ILE 37 -4.878 9.464 3.093 266 HG13 ILE 37 HG13 ILE 37 -4.064 10.532 4.235 267 HG21 ILE 37 HG21 ILE 37 -3.294 8.194 2.198 268 HG22 ILE 37 HG22 ILE 37 -2.314 8.600 3.616 269 HG23 ILE 37 HG23 ILE 37 -1.616 8.718 1.991 270 HD11 ILE 37 HD11 ILE 37 -6.104 11.518 3.327 271 HD12 ILE 37 HD12 ILE 37 -5.397 11.391 1.710 272 HD13 ILE 37 HD13 ILE 37 -4.656 12.449 2.914 273 H ASN 38 H ASN 38 0.202 9.943 3.635 274 HA ASN 38 HA ASN 38 1.675 10.919 1.338 275 HB2 ASN 38 HB2 ASN 38 2.512 9.146 3.649 276 HB3 ASN 38 HB3 ASN 38 3.546 9.453 2.272 277 HD21 ASN 38 HD21 ASN 38 1.474 11.898 3.800 278 HD22 ASN 38 HD22 ASN 38 2.802 12.824 4.421 279 H GLU 39 H GLU 39 2.620 9.488 -0.197 280 HA GLU 39 HA GLU 39 1.419 6.842 -0.408 281 HB2 GLU 39 HB2 GLU 39 0.929 7.314 -2.831 282 HB3 GLU 39 HB3 GLU 39 -0.098 8.199 -1.710 283 HG2 GLU 39 HG2 GLU 39 1.188 10.177 -2.008 284 HG3 GLU 39 HG3 GLU 39 2.360 9.306 -2.994 285 H TYR 40 H TYR 40 2.661 5.442 -1.808 286 HA TYR 40 HA TYR 40 5.350 6.521 -2.293 287 HB2 TYR 40 HB2 TYR 40 4.935 3.874 -0.926 288 HB3 TYR 40 HB3 TYR 40 6.410 4.828 -1.030 289 HD1 TYR 40 HD1 TYR 40 6.694 6.810 0.419 290 HD2 TYR 40 HD2 TYR 40 3.261 4.330 0.725 291 HE1 TYR 40 HE1 TYR 40 6.115 7.862 2.561 292 HE2 TYR 40 HE2 TYR 40 2.681 5.370 2.846 293 HH TYR 40 HH TYR 40 3.826 6.640 4.723 294 H TYR 41 H TYR 41 6.539 5.364 -3.795 295 HA TYR 41 HA TYR 41 5.019 3.882 -5.751 296 HB2 TYR 41 HB2 TYR 41 6.815 5.669 -6.214 297 HB3 TYR 41 HB3 TYR 41 7.989 4.462 -5.731 298 HD1 TYR 41 HD1 TYR 41 4.938 3.914 -7.817 299 HD2 TYR 41 HD2 TYR 41 9.182 4.188 -7.726 300 HE1 TYR 41 HE1 TYR 41 5.038 3.148 -10.146 301 HE2 TYR 41 HE2 TYR 41 9.288 3.428 -10.050 302 HH TYR 41 HH TYR 41 7.856 2.097 -11.597 303 H ILE 42 H ILE 42 4.587 1.876 -5.021 304 HA ILE 42 HA ILE 42 6.591 0.428 -3.431 305 HB ILE 42 HB ILE 42 3.757 -0.432 -4.021 306 HG12 ILE 42 HG12 ILE 42 3.635 1.749 -2.909 307 HG13 ILE 42 HG13 ILE 42 3.104 0.472 -1.824 308 HG21 ILE 42 HG21 ILE 42 5.680 -1.215 -1.829 309 HG22 ILE 42 HG22 ILE 42 5.226 -2.195 -3.223 310 HG23 ILE 42 HG23 ILE 42 4.023 -1.799 -1.996 311 HD11 ILE 42 HD11 ILE 42 5.352 0.525 -0.789 312 HD12 ILE 42 HD12 ILE 42 4.414 1.996 -0.595 313 HD13 ILE 42 HD13 ILE 42 5.725 1.934 -1.788 314 H LYS 43 H LYS 43 7.693 -1.294 -4.319 315 HA LYS 43 HA LYS 43 6.565 -2.255 -6.772 316 HB2 LYS 43 HB2 LYS 43 8.986 -1.721 -6.992 317 HB3 LYS 43 HB3 LYS 43 9.327 -3.036 -5.848 318 HG2 LYS 43 HG2 LYS 43 8.081 -4.591 -7.270 319 HG3 LYS 43 HG3 LYS 43 7.828 -3.320 -8.445 320 HD2 LYS 43 HD2 LYS 43 10.224 -3.239 -8.850 321 HD3 LYS 43 HD3 LYS 43 10.468 -4.500 -7.628 322 HE2 LYS 43 HE2 LYS 43 8.904 -4.748 -10.202 323 HE3 LYS 43 HE3 LYS 43 10.413 -5.560 -9.793 324 HZ1 LYS 43 HZ1 LYS 43 8.513 -7.064 -9.504 325 HZ2 LYS 43 HZ2 LYS 43 7.786 -6.019 -8.422 326 HZ3 LYS 43 HZ3 LYS 43 9.258 -6.753 -8.022 327 H TRP 44 H TRP 44 5.188 -3.684 -6.610 328 HA TRP 44 HA TRP 44 5.116 -5.416 -4.370 329 HB2 TRP 44 HB2 TRP 44 3.464 -5.616 -6.878 330 HB3 TRP 44 HB3 TRP 44 3.050 -6.164 -5.256 331 HD1 TRP 44 HD1 TRP 44 2.972 -3.116 -7.493 332 HE1 TRP 44 HE1 TRP 44 1.763 -1.202 -6.297 333 HE3 TRP 44 HE3 TRP 44 2.589 -5.216 -2.873 334 HZ2 TRP 44 HZ2 TRP 44 0.781 -0.647 -3.701 335 HZ3 TRP 44 HZ3 TRP 44 1.502 -3.954 -1.101 336 HH2 TRP 44 HH2 TRP 44 0.616 -1.706 -1.489 337 H ALA 45 H ALA 45 6.003 -7.299 -4.254 338 HA ALA 45 HA ALA 45 7.316 -8.462 -6.576 339 HB1 ALA 45 HB1 ALA 45 8.619 -8.388 -4.509 340 HB2 ALA 45 HB2 ALA 45 8.275 -10.059 -4.955 341 HB3 ALA 45 HB3 ALA 45 7.351 -9.280 -3.675 342 H GLY 46 H GLY 46 6.959 -10.746 -7.028 343 HA2 GLY 46 HA2 GLY 46 5.614 -12.685 -6.984 344 HA3 GLY 46 HA3 GLY 46 4.403 -11.789 -6.074 345 H TYR 47 H TYR 47 4.703 -9.510 -8.014 346 HA TYR 47 HA TYR 47 2.994 -10.693 -10.072 347 HB2 TYR 47 HB2 TYR 47 2.337 -8.541 -8.547 348 HB3 TYR 47 HB3 TYR 47 3.172 -7.741 -9.891 349 HD1 TYR 47 HD2 TYR 47 1.056 -10.484 -9.771 350 HD2 TYR 47 HD1 TYR 47 1.643 -6.799 -11.273 351 HE1 TYR 47 HE2 TYR 47 -1.100 -10.770 -11.099 352 HE2 TYR 47 HE1 TYR 47 -0.391 -6.918 -12.651 353 HH TYR 47 HH TYR 47 -2.713 -9.402 -12.252 354 H ASP 48 H ASP 48 3.063 -9.179 -11.928 355 HA ASP 48 HA ASP 48 5.495 -9.574 -13.352 356 HB2 ASP 48 HB2 ASP 48 3.434 -9.269 -14.608 357 HB3 ASP 48 HB3 ASP 48 3.275 -7.616 -14.004 358 H TRP 49 H TRP 49 7.042 -8.151 -14.112 359 HA TRP 49 HA TRP 49 8.231 -6.655 -12.029 360 HB2 TRP 49 HB2 TRP 49 8.954 -6.707 -14.955 361 HB3 TRP 49 HB3 TRP 49 9.986 -6.138 -13.645 362 HD1 TRP 49 HD1 TRP 49 8.678 -9.317 -15.270 363 HE1 TRP 49 HE1 TRP 49 9.970 -11.329 -14.348 364 HE3 TRP 49 HE3 TRP 49 11.259 -6.967 -11.536 365 HZ2 TRP 49 HZ2 TRP 49 11.850 -11.862 -12.297 366 HZ3 TRP 49 HZ3 TRP 49 12.784 -8.300 -10.136 367 HH2 TRP 49 HH2 TRP 49 13.070 -10.697 -10.510 368 H TYR 50 H TYR 50 6.043 -5.676 -14.532 369 HA TYR 50 HA TYR 50 6.753 -2.860 -14.259 370 HB2 TYR 50 HB2 TYR 50 4.878 -4.272 -16.169 371 HB3 TYR 50 HB3 TYR 50 5.221 -2.549 -16.181 372 HD1 TYR 50 HD2 TYR 50 7.444 -1.740 -16.896 373 HD2 TYR 50 HD1 TYR 50 6.421 -5.864 -17.090 374 HE1 TYR 50 HE2 TYR 50 9.337 -2.136 -18.414 375 HE2 TYR 50 HE1 TYR 50 8.310 -6.271 -18.604 376 HH TYR 50 HH TYR 50 9.696 -5.045 -20.148 377 H ASP 51 H ASP 51 5.282 -4.536 -12.162 378 HA ASP 51 HA ASP 51 2.552 -3.646 -12.372 379 HB2 ASP 51 HB2 ASP 51 2.093 -5.085 -10.712 380 HB3 ASP 51 HB3 ASP 51 3.350 -5.935 -11.643 381 H ASN 52 H ASN 52 5.351 -2.640 -10.805 382 HA ASN 52 HA ASN 52 4.588 -1.652 -8.361 383 HB2 ASN 52 HB2 ASN 52 6.345 0.158 -8.667 384 HB3 ASN 52 HB3 ASN 52 6.889 -1.493 -8.868 385 HD21 ASN 52 HD21 ASN 52 5.116 0.111 -11.453 386 HD22 ASN 52 HD22 ASN 52 6.468 0.302 -12.500 387 H THR 53 H THR 53 3.703 0.212 -7.511 388 HA THR 53 HA THR 53 2.422 2.123 -9.356 389 HB THR 53 HB THR 53 0.285 1.838 -8.078 390 HG1 THR 53 HG1 THR 53 0.159 0.470 -6.455 391 HG21 THR 53 HG21 THR 53 1.216 -0.606 -9.586 392 HG22 THR 53 HG22 THR 53 0.339 0.790 -10.250 393 HG23 THR 53 HG23 THR 53 -0.452 -0.324 -9.113 394 H TRP 54 H TRP 54 1.367 3.827 -8.014 395 HA TRP 54 HA TRP 54 2.789 4.307 -5.517 396 HB2 TRP 54 HB2 TRP 54 0.804 6.074 -6.983 397 HB3 TRP 54 HB3 TRP 54 1.773 6.541 -5.591 398 HD1 TRP 54 HD1 TRP 54 1.998 5.932 -9.335 399 HE1 TRP 54 HE1 TRP 54 4.163 6.926 -10.224 400 HE3 TRP 54 HE3 TRP 54 4.245 7.162 -4.861 401 HZ2 TRP 54 HZ2 TRP 54 6.519 8.124 -9.198 402 HZ3 TRP 54 HZ3 TRP 54 6.434 8.239 -4.937 403 HH2 TRP 54 HH2 TRP 54 7.555 8.704 -7.050 404 H GLU 55 H GLU 55 1.810 4.025 -3.614 405 HA GLU 55 HA GLU 55 -1.102 3.655 -3.616 406 HB2 GLU 55 HB2 GLU 55 0.488 1.550 -3.632 407 HB3 GLU 55 HB3 GLU 55 0.708 1.955 -1.938 408 HG2 GLU 55 HG2 GLU 55 -1.005 0.282 -2.203 409 HG3 GLU 55 HG3 GLU 55 -1.697 1.799 -1.609 410 HA PRO 56 HA PRO 56 -0.439 6.312 0.014 411 HB2 PRO 56 HB2 PRO 56 -3.001 5.485 1.136 412 HB3 PRO 56 HB3 PRO 56 -2.577 7.040 0.395 413 HG2 PRO 56 HG2 PRO 56 -4.305 5.342 -0.756 414 HG3 PRO 56 HG3 PRO 56 -3.239 6.417 -1.685 415 HD2 PRO 56 HD2 PRO 56 -2.908 3.512 -1.094 416 HD3 PRO 56 HD3 PRO 56 -2.654 4.396 -2.616 417 H GLU 57 H GLU 57 -0.193 6.173 2.369 418 HA GLU 57 HA GLU 57 1.041 3.810 3.177 419 HB2 GLU 57 HB2 GLU 57 1.528 6.086 4.191 420 HB3 GLU 57 HB3 GLU 57 0.009 5.956 5.048 421 HG2 GLU 57 HG2 GLU 57 0.742 4.222 6.409 422 HG3 GLU 57 HG3 GLU 57 2.084 3.828 5.347 423 H GLN 58 H GLN 58 -2.240 4.677 3.408 424 HA GLN 58 HA GLN 58 -3.161 3.035 5.482 425 HB2 GLN 58 HB2 GLN 58 -4.680 3.562 2.924 426 HB3 GLN 58 HB3 GLN 58 -5.351 3.204 4.505 427 HG2 GLN 58 HG2 GLN 58 -3.916 5.724 3.683 428 HG3 GLN 58 HG3 GLN 58 -5.635 5.539 3.991 429 HE21 GLN 58 HE21 GLN 58 -5.222 3.884 6.411 430 HE22 GLN 58 HE22 GLN 58 -4.633 4.997 7.593 431 H ASN 59 H ASN 59 -2.263 2.204 2.157 432 HA ASN 59 HA ASN 59 -3.317 -0.466 2.388 433 HB2 ASN 59 HB2 ASN 59 -1.906 1.032 0.222 434 HB3 ASN 59 HB3 ASN 59 -2.078 -0.705 0.115 435 HD21 ASN 59 HD21 ASN 59 -4.484 1.684 1.259 436 HD22 ASN 59 HD22 ASN 59 -5.612 1.320 -0.002 437 H LEU 60 H LEU 60 -0.524 1.109 3.331 438 HA LEU 60 HA LEU 60 1.303 -1.167 2.970 439 HB2 LEU 60 HB2 LEU 60 1.691 1.718 3.740 440 HB3 LEU 60 HB3 LEU 60 2.923 0.526 4.067 441 HG LEU 60 HG LEU 60 3.474 1.763 2.058 442 HD11 LEU 60 HD11 LEU 60 2.680 -1.059 1.440 443 HD12 LEU 60 HD12 LEU 60 4.206 -0.496 2.129 444 HD13 LEU 60 HD13 LEU 60 3.764 -0.058 0.484 445 HD21 LEU 60 HD21 LEU 60 0.876 0.750 0.910 446 HD22 LEU 60 HD22 LEU 60 2.120 1.638 0.026 447 HD23 LEU 60 HD23 LEU 60 1.234 2.423 1.332 448 H PHE 61 H PHE 61 -0.998 -0.975 4.808 449 HA PHE 61 HA PHE 61 -0.368 -0.715 7.470 450 HB2 PHE 61 HB2 PHE 61 -2.359 -2.024 7.940 451 HB3 PHE 61 HB3 PHE 61 -2.650 -1.094 6.475 452 HD1 PHE 61 HD2 PHE 61 -2.490 -2.249 4.237 453 HD2 PHE 61 HD1 PHE 61 -2.583 -4.369 7.928 454 HE1 PHE 61 HE2 PHE 61 -3.155 -4.290 3.049 455 HE2 PHE 61 HE1 PHE 61 -3.248 -6.416 6.738 456 HZ PHE 61 HZ PHE 61 -3.533 -6.378 4.294 457 H GLY 62 H GLY 62 0.390 -3.424 5.368 458 HA2 GLY 62 HA2 GLY 62 1.326 -5.020 7.627 459 HA3 GLY 62 HA3 GLY 62 1.236 -5.554 5.953 460 H ALA 63 H ALA 63 2.571 -3.171 4.958 461 HA ALA 63 HA ALA 63 5.262 -4.094 5.384 462 HB1 ALA 63 HB1 ALA 63 5.774 -2.820 3.378 463 HB2 ALA 63 HB2 ALA 63 4.117 -2.204 3.361 464 HB3 ALA 63 HB3 ALA 63 4.422 -3.929 3.139 465 H GLU 64 H GLU 64 3.987 -2.526 7.424 466 HA GLU 64 HA GLU 64 4.656 0.128 7.312 467 HB2 GLU 64 HB2 GLU 64 4.490 0.026 9.861 468 HB3 GLU 64 HB3 GLU 64 3.087 -0.306 8.868 469 HG2 GLU 64 HG2 GLU 64 3.106 -1.741 10.632 470 HG3 GLU 64 HG3 GLU 64 3.460 -2.726 9.222 471 H LYS 65 H LYS 65 6.505 -2.461 8.733 472 HA LYS 65 HA LYS 65 8.645 -1.021 9.758 473 HB2 LYS 65 HB2 LYS 65 7.975 -3.568 9.864 474 HB3 LYS 65 HB3 LYS 65 9.043 -3.697 8.489 475 HG2 LYS 65 HG2 LYS 65 10.292 -4.253 10.435 476 HG3 LYS 65 HG3 LYS 65 10.863 -2.700 9.834 477 HD2 LYS 65 HD2 LYS 65 10.731 -2.455 12.188 478 HD3 LYS 65 HD3 LYS 65 9.324 -1.614 11.567 479 HE2 LYS 65 HE2 LYS 65 9.288 -4.437 12.688 480 HE3 LYS 65 HE3 LYS 65 8.912 -3.004 13.618 481 HZ1 LYS 65 HZ1 LYS 65 6.882 -4.117 12.880 482 HZ2 LYS 65 HZ2 LYS 65 7.269 -3.974 11.271 483 HZ3 LYS 65 HZ3 LYS 65 6.935 -2.650 12.137 484 H VAL 66 H VAL 66 8.221 -2.506 6.628 485 HA VAL 66 HA VAL 66 10.733 -1.891 5.514 486 HB VAL 66 HB VAL 66 8.073 -2.539 4.208 487 HG11 VAL 66 HG11 VAL 66 9.545 -1.475 2.580 488 HG12 VAL 66 HG12 VAL 66 9.315 -3.204 2.272 489 HG13 VAL 66 HG13 VAL 66 10.827 -2.634 2.990 490 HG21 VAL 66 HG21 VAL 66 8.884 -4.268 5.697 491 HG22 VAL 66 HG22 VAL 66 10.437 -4.277 4.863 492 HG23 VAL 66 HG23 VAL 66 8.979 -4.791 4.016 493 H LEU 67 H LEU 67 7.596 -0.276 5.337 494 HA LEU 67 HA LEU 67 8.421 1.789 3.606 495 HB2 LEU 67 HB2 LEU 67 6.134 1.294 3.747 496 HB3 LEU 67 HB3 LEU 67 6.126 1.480 5.490 497 HG LEU 67 HG LEU 67 6.467 3.874 5.256 498 HD11 LEU 67 HD11 LEU 67 7.732 3.839 3.141 499 HD12 LEU 67 HD12 LEU 67 6.421 4.988 3.121 500 HD13 LEU 67 HD13 LEU 67 6.248 3.444 2.270 501 HD21 LEU 67 HD21 LEU 67 4.275 4.382 4.343 502 HD22 LEU 67 HD22 LEU 67 4.242 2.962 5.387 503 HD23 LEU 67 HD23 LEU 67 4.199 2.771 3.634 504 H LYS 68 H LYS 68 8.043 1.674 7.136 505 HA LYS 68 HA LYS 68 8.894 4.306 7.434 506 HB2 LYS 68 HB2 LYS 68 8.551 2.099 9.438 507 HB3 LYS 68 HB3 LYS 68 9.391 3.567 9.914 508 HG2 LYS 68 HG2 LYS 68 7.038 3.712 10.563 509 HG3 LYS 68 HG3 LYS 68 7.384 4.904 9.318 510 HD2 LYS 68 HD2 LYS 68 6.356 3.451 7.634 511 HD3 LYS 68 HD3 LYS 68 6.073 2.218 8.853 512 HE2 LYS 68 HE2 LYS 68 4.002 3.347 8.496 513 HE3 LYS 68 HE3 LYS 68 4.613 3.872 10.058 514 HZ1 LYS 68 HZ1 LYS 68 5.315 6.013 8.975 515 HZ2 LYS 68 HZ2 LYS 68 3.662 5.647 8.674 516 HZ3 LYS 68 HZ3 LYS 68 4.699 5.421 7.505 517 H LYS 69 H LYS 69 10.704 1.342 7.341 518 HA LYS 69 HA LYS 69 13.301 2.206 7.869 519 HB2 LYS 69 HB2 LYS 69 12.783 -0.093 7.300 520 HB3 LYS 69 HB3 LYS 69 12.224 0.383 5.709 521 HG2 LYS 69 HG2 LYS 69 14.715 1.256 5.476 522 HG3 LYS 69 HG3 LYS 69 15.006 0.061 6.740 523 HD2 LYS 69 HD2 LYS 69 15.378 -1.012 4.611 524 HD3 LYS 69 HD3 LYS 69 13.870 -1.644 5.277 525 HE2 LYS 69 HE2 LYS 69 12.585 -0.087 3.834 526 HE3 LYS 69 HE3 LYS 69 14.096 0.544 3.191 527 HZ1 LYS 69 HZ1 LYS 69 13.150 -2.274 2.842 528 HZ2 LYS 69 HZ2 LYS 69 14.500 -1.593 2.102 529 HZ3 LYS 69 HZ3 LYS 69 13.025 -1.073 1.712 530 H TRP 70 H TRP 70 11.460 2.298 4.802 531 HA TRP 70 HA TRP 70 13.370 3.565 3.213 532 HB2 TRP 70 HB2 TRP 70 11.536 2.574 2.048 533 HB3 TRP 70 HB3 TRP 70 10.350 3.486 2.982 534 HD1 TRP 70 HD1 TRP 70 9.775 5.949 2.184 535 HE1 TRP 70 HE1 TRP 70 10.424 7.374 0.151 536 HE3 TRP 70 HE3 TRP 70 13.430 2.939 0.240 537 HZ2 TRP 70 HZ2 TRP 70 12.206 7.211 -2.024 538 HZ3 TRP 70 HZ3 TRP 70 14.545 3.647 -1.835 539 HH2 TRP 70 HH2 TRP 70 13.945 5.737 -2.943 540 H LYS 71 H LYS 71 10.537 5.003 4.765 541 HA LYS 71 HA LYS 71 11.420 7.548 4.036 542 HB2 LYS 71 HB2 LYS 71 9.021 7.066 4.303 543 HB3 LYS 71 HB3 LYS 71 9.247 6.968 6.046 544 HG2 LYS 71 HG2 LYS 71 9.703 9.280 6.238 545 HG3 LYS 71 HG3 LYS 71 10.097 9.322 4.507 546 HD2 LYS 71 HD2 LYS 71 7.305 8.737 5.371 547 HD3 LYS 71 HD3 LYS 71 7.887 10.403 5.276 548 HE2 LYS 71 HE2 LYS 71 7.916 8.361 3.060 549 HE3 LYS 71 HE3 LYS 71 6.841 9.756 3.169 550 HZ1 LYS 71 HZ1 LYS 71 8.897 11.212 3.087 551 HZ2 LYS 71 HZ2 LYS 71 8.687 10.338 1.683 552 HZ3 LYS 71 HZ3 LYS 71 9.816 9.849 2.825 553 H LYS 72 H LYS 72 12.214 5.692 6.771 554 HA LYS 72 HA LYS 72 13.198 7.832 8.330 555 HB2 LYS 72 HB2 LYS 72 12.881 5.430 9.105 556 HB3 LYS 72 HB3 LYS 72 14.319 5.020 8.191 557 HG2 LYS 72 HG2 LYS 72 14.847 5.256 10.545 558 HG3 LYS 72 HG3 LYS 72 15.642 6.528 9.613 559 HD2 LYS 72 HD2 LYS 72 13.960 8.135 10.286 560 HD3 LYS 72 HD3 LYS 72 13.027 6.875 11.093 561 HE2 LYS 72 HE2 LYS 72 15.811 7.764 11.862 562 HE3 LYS 72 HE3 LYS 72 14.324 8.258 12.669 563 HZ1 LYS 72 HZ1 LYS 72 15.342 5.468 12.483 564 HZ2 LYS 72 HZ2 LYS 72 13.914 5.947 13.245 565 HZ3 LYS 72 HZ3 LYS 72 15.403 6.458 13.857 566 H ARG 73 H ARG 73 14.483 5.946 5.622 567 HA ARG 73 HA ARG 73 16.937 7.467 5.679 568 HB2 ARG 73 HB2 ARG 73 16.004 5.397 3.696 569 HB3 ARG 73 HB3 ARG 73 17.551 6.227 3.606 570 HG2 ARG 73 HG2 ARG 73 16.655 4.459 5.896 571 HG3 ARG 73 HG3 ARG 73 17.747 3.974 4.603 572 HD2 ARG 73 HD2 ARG 73 19.008 4.546 6.632 573 HD3 ARG 73 HD3 ARG 73 19.370 5.692 5.343 574 HE ARG 73 HE ARG 73 17.253 6.517 7.071 575 HH11 ARG 73 HH11 ARG 73 20.772 6.474 6.882 576 HH12 ARG 73 HH12 ARG 73 21.003 7.980 7.643 577 HH21 ARG 73 HH21 ARG 73 17.492 8.585 8.031 578 HH22 ARG 73 HH22 ARG 73 19.031 9.256 8.338 579 H LYS 74 H LYS 74 13.912 7.758 4.029 580 HA LYS 74 HA LYS 74 14.944 10.265 2.883 581 HB2 LYS 74 HB2 LYS 74 14.392 8.180 1.237 582 HB3 LYS 74 HB3 LYS 74 12.783 8.854 1.385 583 HG2 LYS 74 HG2 LYS 74 15.245 10.157 0.213 584 HG3 LYS 74 HG3 LYS 74 13.748 9.748 -0.602 585 HD2 LYS 74 HD2 LYS 74 14.083 11.915 1.500 586 HD3 LYS 74 HD3 LYS 74 14.025 12.185 -0.233 587 HE2 LYS 74 HE2 LYS 74 11.784 11.054 1.457 588 HE3 LYS 74 HE3 LYS 74 11.900 12.718 0.905 589 HZ1 LYS 74 HZ1 LYS 74 11.592 10.305 -0.785 590 HZ2 LYS 74 HZ2 LYS 74 11.658 11.893 -1.405 591 HZ3 LYS 74 HZ3 LYS 74 10.411 11.370 -0.385 592 H LYS 75 H LYS 75 13.968 11.403 4.580 593 HA LYS 75 HA LYS 75 11.206 10.970 5.116 594 HB2 LYS 75 HB2 LYS 75 11.362 12.700 6.820 595 HB3 LYS 75 HB3 LYS 75 12.824 11.746 6.911 596 HG2 LYS 75 HG2 LYS 75 13.711 13.835 7.115 597 HG3 LYS 75 HG3 LYS 75 13.741 13.696 5.354 598 HD2 LYS 75 HD2 LYS 75 11.327 14.697 5.523 599 HD3 LYS 75 HD3 LYS 75 11.876 15.262 7.100 600 HE2 LYS 75 HE2 LYS 75 12.216 16.967 5.399 601 HE3 LYS 75 HE3 LYS 75 13.767 16.386 6.015 602 HZ1 LYS 75 HZ1 LYS 75 13.528 16.577 3.473 603 HZ2 LYS 75 HZ2 LYS 75 12.566 15.148 3.632 604 HZ3 LYS 75 HZ3 LYS 75 14.133 15.132 4.115 605 H1 ALA 1 H1 ALA 1 17.206 -14.569 5.257 606 H2 ALA 1 H2 ALA 1 17.969 -13.859 3.955 607 H3 ALA 1 H3 ALA 1 18.245 -15.520 4.299 608 HA ALA 1 HA ALA 1 16.689 -15.211 2.445 609 HB1 ALA 1 HB1 ALA 1 15.372 -16.152 5.006 610 HB2 ALA 1 HB2 ALA 1 16.348 -17.146 3.925 611 HB3 ALA 1 HB3 ALA 1 14.801 -16.502 3.375 612 H ARG 2 H ARG 2 14.380 -14.454 1.939 613 HA ARG 2 HA ARG 2 14.023 -11.856 3.213 614 HB2 ARG 2 HB2 ARG 2 12.919 -12.987 0.641 615 HB3 ARG 2 HB3 ARG 2 12.396 -11.466 1.328 616 HG2 ARG 2 HG2 ARG 2 14.686 -10.595 1.068 617 HG3 ARG 2 HG3 ARG 2 15.160 -12.127 0.324 618 HD2 ARG 2 HD2 ARG 2 14.656 -10.479 -1.405 619 HD3 ARG 2 HD3 ARG 2 13.477 -11.786 -1.441 620 HE ARG 2 HE ARG 2 12.982 -9.092 -0.331 621 HH11 ARG 2 HH11 ARG 2 11.663 -12.080 -1.879 622 HH12 ARG 2 HH12 ARG 2 10.111 -11.357 -2.019 623 HH21 ARG 2 HH21 ARG 2 10.699 -8.248 -0.681 624 HH22 ARG 2 HH22 ARG 2 9.621 -9.360 -1.411 625 H THR 3 H THR 3 12.769 -12.123 5.002 626 HA THR 3 HA THR 3 10.452 -13.763 5.013 627 HB THR 3 HB THR 3 11.089 -11.308 6.694 628 HG1 THR 3 HG1 THR 3 11.970 -13.078 8.129 629 HG21 THR 3 HG21 THR 3 9.791 -12.496 8.422 630 HG22 THR 3 HG22 THR 3 9.532 -13.838 7.306 631 HG23 THR 3 HG23 THR 3 8.825 -12.258 6.966 632 H LYS 4 H LYS 4 8.575 -13.152 3.885 633 HA LYS 4 HA LYS 4 8.852 -10.627 2.582 634 HB2 LYS 4 HB2 LYS 4 7.144 -11.198 1.067 635 HB3 LYS 4 HB3 LYS 4 8.221 -12.557 1.221 636 HG2 LYS 4 HG2 LYS 4 6.593 -13.893 2.234 637 HG3 LYS 4 HG3 LYS 4 5.636 -12.495 2.756 638 HD2 LYS 4 HD2 LYS 4 5.126 -11.964 0.420 639 HD3 LYS 4 HD3 LYS 4 6.078 -13.337 -0.109 640 HE2 LYS 4 HE2 LYS 4 4.473 -14.859 0.786 641 HE3 LYS 4 HE3 LYS 4 3.619 -13.554 1.618 642 HZ1 LYS 4 HZ1 LYS 4 3.891 -13.559 -1.356 643 HZ2 LYS 4 HZ2 LYS 4 2.759 -12.732 -0.365 644 HZ3 LYS 4 HZ3 LYS 4 2.578 -14.284 -0.597 645 H GLN 5 H GLN 5 8.046 -8.872 3.072 646 HA GLN 5 HA GLN 5 5.831 -8.646 4.960 647 HB2 GLN 5 HB2 GLN 5 8.101 -7.179 4.831 648 HB3 GLN 5 HB3 GLN 5 7.158 -6.359 3.583 649 HG2 GLN 5 HG2 GLN 5 6.905 -5.158 5.466 650 HG3 GLN 5 HG3 GLN 5 5.383 -6.027 5.190 651 HE21 GLN 5 HE21 GLN 5 6.230 -4.927 7.745 652 HE22 GLN 5 HE22 GLN 5 6.374 -6.263 8.820 653 H THR 6 H THR 6 3.783 -7.777 4.094 654 HA THR 6 HA THR 6 3.918 -7.231 1.248 655 HB THR 6 HB THR 6 2.102 -8.637 0.668 656 HG1 THR 6 HG1 THR 6 0.784 -9.635 2.176 657 HG21 THR 6 HG21 THR 6 3.637 -10.296 2.673 658 HG22 THR 6 HG22 THR 6 4.223 -9.922 1.074 659 HG23 THR 6 HG23 THR 6 2.767 -10.906 1.268 660 H ALA 7 H ALA 7 1.811 -6.205 0.485 661 HA ALA 7 HA ALA 7 0.386 -4.842 2.564 662 HB1 ALA 7 HB1 ALA 7 2.192 -3.313 2.306 663 HB2 ALA 7 HB2 ALA 7 0.815 -2.598 1.456 664 HB3 ALA 7 HB3 ALA 7 2.120 -3.376 0.564 665 H ARG 8 H ARG 8 -1.177 -3.294 1.345 666 HA ARG 8 HA ARG 8 -3.098 -5.031 0.324 667 HB2 ARG 8 HB2 ARG 8 -2.858 -2.356 1.150 668 HB3 ARG 8 HB3 ARG 8 -3.696 -2.354 -0.385 669 HG2 ARG 8 HG2 ARG 8 -4.664 -4.237 1.697 670 HG3 ARG 8 HG3 ARG 8 -4.819 -2.484 1.937 671 HD2 ARG 8 HD2 ARG 8 -6.782 -3.756 0.778 672 HD3 ARG 8 HD3 ARG 8 -6.257 -2.204 0.142 673 HE ARG 8 HE ARG 8 -5.044 -3.477 -1.592 674 HH11 ARG 8 HH11 ARG 8 -7.673 -5.307 0.052 675 HH12 ARG 8 HH12 ARG 8 -7.869 -6.270 -1.365 676 HH21 ARG 8 HH21 ARG 8 -5.530 -4.777 -3.385 677 HH22 ARG 8 HH22 ARG 8 -6.706 -6.001 -3.252 678 H M3L 9 H M3L 9 -1.713 -2.248 -1.476 679 HA M3L 9 HA M3L 9 -1.779 -1.630 -3.640 680 HB2 M3L 9 1HB M3L 9 -0.557 -3.648 -4.296 681 HB3 M3L 9 2HB M3L 9 -2.052 -4.578 -4.298 682 HG2 M3L 9 1HG M3L 9 -1.682 -2.176 -6.071 683 HG3 M3L 9 2HG M3L 9 -2.877 -3.462 -6.206 684 HD2 M3L 9 1HD M3L 9 -0.627 -3.298 -7.680 685 HD3 M3L 9 2HD M3L 9 -0.056 -4.329 -6.365 686 HE2 M3L 9 1HE M3L 9 -2.500 -4.780 -8.060 687 HE3 M3L 9 2HE M3L 9 -2.036 -5.797 -6.723 688 HM11 M3L 9 1HM1 M3L 9 -0.809 -7.807 -9.771 689 HM12 M3L 9 2HM1 M3L 9 -1.812 -7.868 -8.322 690 HM13 M3L 9 3HM1 M3L 9 -2.305 -6.893 -9.655 691 HM21 M3L 9 1HM2 M3L 9 0.826 -7.462 -8.048 692 HM22 M3L 9 2HM2 M3L 9 0.393 -6.478 -6.651 693 HM23 M3L 9 3HM2 M3L 9 1.400 -5.858 -7.915 694 HM31 M3L 9 3HM3 M3L 9 0.410 -5.620 -10.265 695 HM32 M3L 9 1HM3 M3L 9 -1.019 -4.595 -10.159 696 HM33 M3L 9 2HM3 M3L 9 0.397 -4.266 -9.202 697 H SER 10 H SER 10 -3.497 -0.503 -4.111 698 HA SER 10 HA SER 10 -6.059 -1.547 -3.444 699 HB2 SER 10 HB2 SER 10 -5.535 0.803 -2.981 700 HB3 SER 10 HB3 SER 10 -5.317 1.123 -4.701 701 HG SER 10 HG SER 10 -7.750 -0.013 -4.092 702 H THR 11 H THR 11 -6.837 -3.074 -4.682 703 HA THR 11 HA THR 11 -6.464 -3.132 -7.511 704 HB THR 11 HB THR 11 -8.175 -4.906 -5.726 705 HG1 THR 11 HG1 THR 11 -6.411 -6.133 -5.374 706 HG21 THR 11 HG21 THR 11 -6.886 -5.408 -8.423 707 HG22 THR 11 HG22 THR 11 -8.603 -5.130 -8.145 708 HG23 THR 11 HG23 THR 11 -7.830 -6.579 -7.501 709 H GLY 12 H GLY 12 -7.774 -1.954 -8.795 710 HA2 GLY 12 HA2 GLY 12 -10.408 -2.142 -9.151 711 HA3 GLY 12 HA3 GLY 12 -10.322 -1.011 -7.808 712 H GLY 13 H GLY 13 -8.116 0.492 -8.466 713 HA2 GLY 13 HA2 GLY 13 -8.745 1.526 -11.133 714 HA3 GLY 13 HA3 GLY 13 -8.905 2.594 -9.747 715 H LYS 14 H LYS 14 -6.635 0.646 -11.582 716 HA LYS 14 HA LYS 14 -4.578 2.618 -10.943 717 HB2 LYS 14 HB2 LYS 14 -4.130 -0.385 -11.097 718 HB3 LYS 14 HB3 LYS 14 -2.856 0.813 -10.977 719 HG2 LYS 14 HG2 LYS 14 -4.966 0.311 -8.881 720 HG3 LYS 14 HG3 LYS 14 -3.329 -0.338 -8.849 721 HD2 LYS 14 HD2 LYS 14 -2.431 1.956 -8.754 722 HD3 LYS 14 HD3 LYS 14 -4.078 2.597 -8.788 723 HE2 LYS 14 HE2 LYS 14 -4.584 1.439 -6.709 724 HE3 LYS 14 HE3 LYS 14 -2.964 0.759 -6.673 725 HZ1 LYS 14 HZ1 LYS 14 -3.628 3.667 -6.416 726 HZ2 LYS 14 HZ2 LYS 14 -2.056 2.990 -6.331 727 HZ3 LYS 14 HZ3 LYS 14 -3.183 2.595 -5.201 728 H ALA 15 H ALA 15 -5.096 3.611 -12.905 729 HA ALA 15 HA ALA 15 -3.801 2.530 -15.189 730 HB1 ALA 15 HB1 ALA 15 -5.968 1.380 -15.395 731 HB2 ALA 15 HB2 ALA 15 -5.817 2.618 -16.643 732 HB3 ALA 15 HB3 ALA 15 -6.813 2.918 -15.219 733 HA PRO 16 HA PRO 16 -3.538 6.968 -15.705 734 HB2 PRO 16 HB2 PRO 16 -3.426 6.663 -18.626 735 HB3 PRO 16 HB3 PRO 16 -2.141 7.194 -17.523 736 HG2 PRO 16 HG2 PRO 16 -2.023 4.841 -18.786 737 HG3 PRO 16 HG3 PRO 16 -1.357 5.087 -17.160 738 HD2 PRO 16 HD2 PRO 16 -3.921 3.781 -17.955 739 HD3 PRO 16 HD3 PRO 16 -2.743 3.313 -16.710 740 H ARG 17 H ARG 17 -5.494 7.824 -15.231 741 HA ARG 17 HA ARG 17 -7.355 8.242 -17.423 742 HB2 ARG 17 HB2 ARG 17 -9.274 7.764 -15.959 743 HB3 ARG 17 HB3 ARG 17 -8.299 6.327 -16.224 744 HG2 ARG 17 HG2 ARG 17 -7.525 6.291 -14.032 745 HG3 ARG 17 HG3 ARG 17 -7.839 8.011 -13.790 746 HD2 ARG 17 HD2 ARG 17 -9.989 5.923 -14.147 747 HD3 ARG 17 HD3 ARG 17 -9.426 6.508 -12.578 748 HE ARG 17 HE ARG 17 -10.058 8.812 -13.677 749 HH11 ARG 17 HH11 ARG 17 -11.971 5.848 -13.628 750 HH12 ARG 17 HH12 ARG 17 -13.460 6.650 -13.904 751 HH21 ARG 17 HH21 ARG 17 -11.949 9.879 -14.119 752 HH22 ARG 17 HH22 ARG 17 -13.458 9.107 -14.185 753 H TYR 18 H TYR 18 -9.120 9.779 -16.488 754 HA TYR 18 HA TYR 18 -7.962 11.619 -14.566 755 HB2 TYR 18 HB2 TYR 18 -9.835 12.207 -16.901 756 HB3 TYR 18 HB3 TYR 18 -9.306 13.384 -15.705 757 HD1 TYR 18 HD1 TYR 18 -6.932 14.116 -15.665 758 HD2 TYR 18 HD2 TYR 18 -8.447 11.615 -18.755 759 HE1 TYR 18 HE1 TYR 18 -4.979 14.658 -17.055 760 HE2 TYR 18 HE2 TYR 18 -6.497 12.150 -20.152 761 HH TYR 18 HH TYR 18 -4.817 13.917 -20.362 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -19.976 3.939 32.165 2 H2 MET 1 H2 MET 1 -19.239 2.690 31.255 3 H3 MET 1 H3 MET 1 -20.064 2.299 32.643 4 HA MET 1 HA MET 1 -22.138 2.899 31.619 5 HB2 MET 1 HB2 MET 1 -20.338 3.426 29.228 6 HB3 MET 1 HB3 MET 1 -22.086 3.290 29.140 7 HG2 MET 1 HG2 MET 1 -22.361 5.274 30.465 8 HG3 MET 1 HG3 MET 1 -20.629 5.362 30.764 9 HE1 MET 1 HE1 MET 1 -23.474 5.667 28.031 10 HE2 MET 1 HE2 MET 1 -22.398 4.463 27.317 11 HE3 MET 1 HE3 MET 1 -22.526 6.067 26.600 12 H VAL 2 H VAL 2 -23.129 1.298 29.961 13 HA VAL 2 HA VAL 2 -21.666 -1.163 30.226 14 HB VAL 2 HB VAL 2 -24.097 -1.171 30.721 15 HG11 VAL 2 HG11 VAL 2 -24.502 -0.421 27.835 16 HG12 VAL 2 HG12 VAL 2 -24.879 0.568 29.246 17 HG13 VAL 2 HG13 VAL 2 -25.776 -0.921 28.948 18 HG21 VAL 2 HG21 VAL 2 -24.768 -3.102 29.338 19 HG22 VAL 2 HG22 VAL 2 -23.116 -3.248 29.939 20 HG23 VAL 2 HG23 VAL 2 -23.407 -2.783 28.263 21 H SER 3 H SER 3 -20.649 -2.161 28.574 22 HA SER 3 HA SER 3 -20.999 -1.156 25.877 23 HB2 SER 3 HB2 SER 3 -18.285 -1.210 27.234 24 HB3 SER 3 HB3 SER 3 -18.625 -0.696 25.581 25 HG SER 3 HG SER 3 -20.191 0.769 26.870 26 H VAL 4 H VAL 4 -21.193 -2.894 24.637 27 HA VAL 4 HA VAL 4 -20.196 -5.450 25.602 28 HB VAL 4 HB VAL 4 -22.033 -4.833 23.254 29 HG11 VAL 4 HG11 VAL 4 -22.561 -7.235 23.293 30 HG12 VAL 4 HG12 VAL 4 -21.374 -7.467 24.575 31 HG13 VAL 4 HG13 VAL 4 -20.849 -6.945 22.976 32 HG21 VAL 4 HG21 VAL 4 -23.101 -4.230 25.361 33 HG22 VAL 4 HG22 VAL 4 -22.727 -5.822 26.023 34 HG23 VAL 4 HG23 VAL 4 -23.858 -5.670 24.678 35 H LYS 5 H LYS 5 -18.546 -6.396 24.666 36 HA LYS 5 HA LYS 5 -17.279 -5.004 22.437 37 HB2 LYS 5 HB2 LYS 5 -16.126 -6.498 24.794 38 HB3 LYS 5 HB3 LYS 5 -15.161 -5.969 23.421 39 HG2 LYS 5 HG2 LYS 5 -15.554 -3.674 23.897 40 HG3 LYS 5 HG3 LYS 5 -16.819 -4.062 25.056 41 HD2 LYS 5 HD2 LYS 5 -13.944 -4.882 25.430 42 HD3 LYS 5 HD3 LYS 5 -14.589 -3.351 26.024 43 HE2 LYS 5 HE2 LYS 5 -15.636 -6.093 26.776 44 HE3 LYS 5 HE3 LYS 5 -14.558 -5.110 27.761 45 HZ1 LYS 5 HZ1 LYS 5 -16.862 -4.878 28.480 46 HZ2 LYS 5 HZ2 LYS 5 -17.345 -4.322 26.972 47 HZ3 LYS 5 HZ3 LYS 5 -16.281 -3.411 27.903 48 HA PRO 6 HA PRO 6 -17.663 -8.834 20.279 49 HB2 PRO 6 HB2 PRO 6 -15.223 -8.496 18.778 50 HB3 PRO 6 HB3 PRO 6 -16.882 -8.173 18.244 51 HG2 PRO 6 HG2 PRO 6 -15.014 -6.228 18.609 52 HG3 PRO 6 HG3 PRO 6 -16.767 -5.970 18.703 53 HD2 PRO 6 HD2 PRO 6 -14.797 -6.263 20.923 54 HD3 PRO 6 HD3 PRO 6 -16.221 -5.214 20.785 55 H LEU 7 H LEU 7 -17.309 -10.742 21.124 56 HA LEU 7 HA LEU 7 -14.751 -11.475 22.257 57 HB2 LEU 7 HB2 LEU 7 -17.359 -13.010 21.985 58 HB3 LEU 7 HB3 LEU 7 -15.919 -13.702 22.682 59 HG LEU 7 HG LEU 7 -16.059 -11.868 24.451 60 HD11 LEU 7 HD11 LEU 7 -18.841 -11.561 23.348 61 HD12 LEU 7 HD12 LEU 7 -17.566 -10.344 23.322 62 HD13 LEU 7 HD13 LEU 7 -18.244 -10.877 24.860 63 HD21 LEU 7 HD21 LEU 7 -18.261 -13.915 24.287 64 HD22 LEU 7 HD22 LEU 7 -17.737 -13.085 25.752 65 HD23 LEU 7 HD23 LEU 7 -16.632 -14.173 24.912 66 HA PRO 8 HA PRO 8 -13.293 -13.491 18.600 67 HB2 PRO 8 HB2 PRO 8 -12.004 -15.705 19.579 68 HB3 PRO 8 HB3 PRO 8 -11.322 -14.067 19.658 69 HG2 PRO 8 HG2 PRO 8 -12.683 -15.623 21.782 70 HG3 PRO 8 HG3 PRO 8 -11.294 -14.525 21.895 71 HD2 PRO 8 HD2 PRO 8 -13.789 -13.788 22.640 72 HD3 PRO 8 HD3 PRO 8 -12.597 -12.649 21.990 73 H ASP 9 H ASP 9 -15.417 -13.948 17.914 74 HA ASP 9 HA ASP 9 -16.539 -16.609 18.176 75 HB2 ASP 9 HB2 ASP 9 -18.041 -14.724 17.873 76 HB3 ASP 9 HB3 ASP 9 -17.188 -14.220 16.424 77 H ILE 10 H ILE 10 -14.657 -14.756 15.984 78 HA ILE 10 HA ILE 10 -14.585 -16.706 13.874 79 HB ILE 10 HB ILE 10 -12.864 -14.226 14.289 80 HG12 ILE 10 HG12 ILE 10 -15.366 -14.575 12.615 81 HG13 ILE 10 HG13 ILE 10 -15.289 -13.724 14.151 82 HG21 ILE 10 HG21 ILE 10 -12.411 -14.377 11.873 83 HG22 ILE 10 HG22 ILE 10 -13.346 -15.869 11.793 84 HG23 ILE 10 HG23 ILE 10 -11.850 -15.819 12.723 85 HD11 ILE 10 HD11 ILE 10 -13.781 -12.075 13.155 86 HD12 ILE 10 HD12 ILE 10 -15.305 -12.179 12.272 87 HD13 ILE 10 HD13 ILE 10 -13.855 -12.940 11.619 88 H ASP 11 H ASP 11 -12.918 -18.090 13.433 89 HA ASP 11 HA ASP 11 -11.471 -19.191 15.536 90 HB2 ASP 11 HB2 ASP 11 -12.078 -20.540 13.625 91 HB3 ASP 11 HB3 ASP 11 -11.112 -19.533 12.553 92 H SER 12 H SER 12 -9.159 -19.523 15.645 93 HA SER 12 HA SER 12 -7.896 -16.922 15.757 94 HB2 SER 12 HB2 SER 12 -7.990 -18.303 17.783 95 HB3 SER 12 HB3 SER 12 -7.052 -19.555 16.977 96 HG SER 12 HG SER 12 -5.643 -17.435 16.665 97 H ASN 13 H ASN 13 -7.769 -19.573 13.570 98 HA ASN 13 HA ASN 13 -4.954 -19.411 13.112 99 HB2 ASN 13 HB2 ASN 13 -7.129 -20.756 11.496 100 HB3 ASN 13 HB3 ASN 13 -5.428 -20.790 11.048 101 HD21 ASN 13 HD21 ASN 13 -7.825 -21.907 13.251 102 HD22 ASN 13 HD22 ASN 13 -6.884 -23.157 13.994 103 H GLU 14 H GLU 14 -4.339 -17.439 12.642 104 HA GLU 14 HA GLU 14 -5.506 -16.024 10.393 105 HB2 GLU 14 HB2 GLU 14 -3.231 -15.277 12.242 106 HB3 GLU 14 HB3 GLU 14 -3.903 -14.238 10.998 107 HG2 GLU 14 HG2 GLU 14 -6.055 -14.250 12.180 108 HG3 GLU 14 HG3 GLU 14 -5.336 -15.250 13.442 109 H GLY 15 H GLY 15 -3.708 -14.956 8.938 110 HA2 GLY 15 HA2 GLY 15 -1.394 -16.509 8.456 111 HA3 GLY 15 HA3 GLY 15 -2.681 -16.938 7.336 112 H GLU 16 H GLU 16 -2.246 -16.041 5.477 113 HA GLU 16 HA GLU 16 -1.159 -13.335 5.436 114 HB2 GLU 16 HB2 GLU 16 0.370 -14.957 4.503 115 HB3 GLU 16 HB3 GLU 16 -0.889 -15.619 3.478 116 HG2 GLU 16 HG2 GLU 16 0.647 -14.277 2.200 117 HG3 GLU 16 HG3 GLU 16 -0.952 -13.556 2.207 118 H THR 17 H THR 17 -1.873 -11.985 3.761 119 HA THR 17 HA THR 17 -4.745 -12.305 3.289 120 HB THR 17 HB THR 17 -4.629 -9.745 3.150 121 HG1 THR 17 HG1 THR 17 -1.968 -10.270 3.686 122 HG21 THR 17 HG21 THR 17 -5.660 -10.951 5.013 123 HG22 THR 17 HG22 THR 17 -4.771 -9.546 5.604 124 HG23 THR 17 HG23 THR 17 -4.078 -11.160 5.765 125 H ASP 18 H ASP 18 -2.517 -13.187 1.419 126 HA ASP 18 HA ASP 18 -1.874 -11.414 -0.598 127 HB2 ASP 18 HB2 ASP 18 -2.185 -14.411 -0.828 128 HB3 ASP 18 HB3 ASP 18 -1.629 -13.423 -2.162 129 H ALA 19 H ALA 19 -4.889 -13.003 -0.260 130 HA ALA 19 HA ALA 19 -5.877 -13.011 -2.871 131 HB1 ALA 19 HB1 ALA 19 -7.471 -12.515 -0.366 132 HB2 ALA 19 HB2 ALA 19 -7.009 -14.099 -0.986 133 HB3 ALA 19 HB3 ALA 19 -8.106 -13.073 -1.912 134 H ASP 20 H ASP 20 -5.608 -10.292 -0.673 135 HA ASP 20 HA ASP 20 -6.537 -8.489 -2.829 136 HB2 ASP 20 HB2 ASP 20 -8.378 -8.652 -1.193 137 HB3 ASP 20 HB3 ASP 20 -7.269 -8.361 0.131 138 H VAL 21 H VAL 21 -3.935 -9.523 -1.618 139 HA VAL 21 HA VAL 21 -2.674 -6.983 -1.005 140 HB VAL 21 HB VAL 21 -2.681 -9.336 0.921 141 HG11 VAL 21 HG11 VAL 21 -1.238 -8.007 2.343 142 HG12 VAL 21 HG12 VAL 21 -1.144 -6.771 1.087 143 HG13 VAL 21 HG13 VAL 21 -0.474 -8.376 0.798 144 HG21 VAL 21 HG21 VAL 21 -4.645 -7.929 1.087 145 HG22 VAL 21 HG22 VAL 21 -3.629 -6.500 1.315 146 HG23 VAL 21 HG23 VAL 21 -3.638 -7.786 2.528 147 H TYR 22 H TYR 22 -0.807 -6.876 -2.062 148 HA TYR 22 HA TYR 22 0.388 -9.429 -2.905 149 HB2 TYR 22 HB2 TYR 22 0.563 -6.696 -4.173 150 HB3 TYR 22 HB3 TYR 22 1.529 -8.075 -4.683 151 HD1 TYR 22 HD2 TYR 22 -1.835 -6.636 -4.588 152 HD2 TYR 22 HD1 TYR 22 0.544 -9.889 -5.914 153 HE1 TYR 22 HE2 TYR 22 -3.647 -7.334 -6.095 154 HE2 TYR 22 HE1 TYR 22 -1.253 -10.605 -7.418 155 HH TYR 22 HH TYR 22 -3.792 -10.310 -7.509 156 H GLU 23 H GLU 23 2.794 -9.358 -3.136 157 HA GLU 23 HA GLU 23 3.810 -8.706 -0.581 158 HB2 GLU 23 HB2 GLU 23 4.359 -10.741 -2.018 159 HB3 GLU 23 HB3 GLU 23 5.254 -9.553 -2.972 160 HG2 GLU 23 HG2 GLU 23 6.768 -9.119 -1.167 161 HG3 GLU 23 HG3 GLU 23 5.830 -10.142 -0.084 162 H VAL 24 H VAL 24 5.265 -7.242 -0.025 163 HA VAL 24 HA VAL 24 5.799 -5.133 -1.955 164 HB VAL 24 HB VAL 24 5.947 -5.163 1.078 165 HG11 VAL 24 HG11 VAL 24 7.749 -3.769 0.160 166 HG12 VAL 24 HG12 VAL 24 6.485 -2.818 0.957 167 HG13 VAL 24 HG13 VAL 24 6.551 -2.889 -0.811 168 HG21 VAL 24 HG21 VAL 24 4.204 -3.488 0.896 169 HG22 VAL 24 HG22 VAL 24 3.727 -5.021 0.167 170 HG23 VAL 24 HG23 VAL 24 4.216 -3.667 -0.858 171 H GLU 25 H GLU 25 7.552 -5.511 -3.032 172 HA GLU 25 HA GLU 25 9.792 -6.978 -2.076 173 HB2 GLU 25 HB2 GLU 25 8.972 -6.514 -4.523 174 HB3 GLU 25 HB3 GLU 25 9.788 -4.985 -4.342 175 HG2 GLU 25 HG2 GLU 25 11.912 -6.065 -4.098 176 HG3 GLU 25 HG3 GLU 25 11.144 -7.656 -4.085 177 H ASP 26 H ASP 26 9.304 -3.496 -2.885 178 HA ASP 26 HA ASP 26 10.111 -2.493 -0.425 179 HB2 ASP 26 HB2 ASP 26 12.433 -3.332 -1.357 180 HB3 ASP 26 HB3 ASP 26 12.312 -1.973 -2.466 181 H ILE 27 H ILE 27 10.774 -0.059 -0.826 182 HA ILE 27 HA ILE 27 8.645 1.044 -2.537 183 HB ILE 27 HB ILE 27 10.412 2.687 -0.723 184 HG12 ILE 27 HG12 ILE 27 9.689 0.837 0.742 185 HG13 ILE 27 HG13 ILE 27 8.907 2.335 1.203 186 HG21 ILE 27 HG21 ILE 27 8.870 3.890 -2.154 187 HG22 ILE 27 HG22 ILE 27 8.369 4.068 -0.477 188 HG23 ILE 27 HG23 ILE 27 7.519 2.952 -1.537 189 HD11 ILE 27 HD11 ILE 27 7.391 0.452 1.346 190 HD12 ILE 27 HD12 ILE 27 7.661 0.086 -0.359 191 HD13 ILE 27 HD13 ILE 27 6.858 1.587 0.105 192 H LEU 28 H LEU 28 9.197 2.462 -4.217 193 HA LEU 28 HA LEU 28 12.059 2.529 -4.881 194 HB2 LEU 28 HB2 LEU 28 9.675 3.005 -6.652 195 HB3 LEU 28 HB3 LEU 28 11.345 3.029 -7.182 196 HG LEU 28 HG LEU 28 9.842 0.628 -6.133 197 HD11 LEU 28 HD11 LEU 28 10.065 -0.203 -8.411 198 HD12 LEU 28 HD12 LEU 28 10.820 1.317 -8.888 199 HD13 LEU 28 HD13 LEU 28 9.142 1.299 -8.349 200 HD21 LEU 28 HD21 LEU 28 12.670 0.851 -7.175 201 HD22 LEU 28 HD22 LEU 28 11.830 -0.653 -6.801 202 HD23 LEU 28 HD23 LEU 28 12.196 0.491 -5.511 203 H ALA 29 H ALA 29 9.326 4.587 -4.227 204 HA ALA 29 HA ALA 29 10.926 6.788 -3.533 205 HB1 ALA 29 HB1 ALA 29 11.077 7.133 -5.977 206 HB2 ALA 29 HB2 ALA 29 10.079 8.387 -5.236 207 HB3 ALA 29 HB3 ALA 29 9.318 7.049 -6.096 208 H ASP 30 H ASP 30 9.200 8.754 -3.190 209 HA ASP 30 HA ASP 30 6.622 7.638 -2.766 210 HB2 ASP 30 HB2 ASP 30 6.416 8.082 -0.468 211 HB3 ASP 30 HB3 ASP 30 7.955 7.273 -0.706 212 H ARG 31 H ARG 31 5.162 9.398 -1.719 213 HA ARG 31 HA ARG 31 5.664 12.071 -2.524 214 HB2 ARG 31 HB2 ARG 31 5.114 10.811 -4.732 215 HB3 ARG 31 HB3 ARG 31 3.498 10.598 -4.088 216 HG2 ARG 31 HG2 ARG 31 3.211 13.030 -3.995 217 HG3 ARG 31 HG3 ARG 31 4.841 13.246 -4.627 218 HD2 ARG 31 HD2 ARG 31 3.289 13.531 -6.432 219 HD3 ARG 31 HD3 ARG 31 4.126 12.001 -6.677 220 HE ARG 31 HE ARG 31 2.023 11.011 -5.567 221 HH11 ARG 31 HH11 ARG 31 1.984 13.730 -7.820 222 HH12 ARG 31 HH12 ARG 31 0.326 13.534 -8.210 223 HH21 ARG 31 HH21 ARG 31 -0.112 10.797 -5.982 224 HH22 ARG 31 HH22 ARG 31 -0.961 11.742 -7.109 225 H VAL 32 H VAL 32 3.361 13.264 -2.223 226 HA VAL 32 HA VAL 32 1.847 11.879 -0.205 227 HB VAL 32 HB VAL 32 3.623 13.207 0.933 228 HG11 VAL 32 HG11 VAL 32 2.259 15.609 -0.241 229 HG12 VAL 32 HG12 VAL 32 3.891 15.038 -0.582 230 HG13 VAL 32 HG13 VAL 32 3.491 15.650 1.023 231 HG21 VAL 32 HG21 VAL 32 1.577 12.703 2.100 232 HG22 VAL 32 HG22 VAL 32 0.803 14.147 1.445 233 HG23 VAL 32 HG23 VAL 32 2.152 14.302 2.579 234 H ASN 33 H ASN 33 -0.288 12.509 -0.082 235 HA ASN 33 HA ASN 33 -1.383 13.804 -2.463 236 HB2 ASN 33 HB2 ASN 33 -2.705 12.840 0.098 237 HB3 ASN 33 HB3 ASN 33 -3.568 13.517 -1.258 238 HD21 ASN 33 HD21 ASN 33 -1.893 10.768 0.017 239 HD22 ASN 33 HD22 ASN 33 -2.471 9.649 -1.160 240 H LYS 34 H LYS 34 -3.150 15.473 -1.986 241 HA LYS 34 HA LYS 34 -2.170 17.551 -0.191 242 HB2 LYS 34 HB2 LYS 34 -3.941 18.949 -1.127 243 HB3 LYS 34 HB3 LYS 34 -3.115 18.132 -2.446 244 HG2 LYS 34 HG2 LYS 34 -4.921 16.579 -2.712 245 HG3 LYS 34 HG3 LYS 34 -5.696 17.148 -1.239 246 HD2 LYS 34 HD2 LYS 34 -5.991 19.368 -2.324 247 HD3 LYS 34 HD3 LYS 34 -5.335 18.681 -3.813 248 HE2 LYS 34 HE2 LYS 34 -7.791 18.698 -3.839 249 HE3 LYS 34 HE3 LYS 34 -7.155 17.056 -3.883 250 HZ1 LYS 34 HZ1 LYS 34 -7.666 16.784 -1.549 251 HZ2 LYS 34 HZ2 LYS 34 -9.051 17.327 -2.331 252 HZ3 LYS 34 HZ3 LYS 34 -8.130 18.400 -1.409 253 H ASN 35 H ASN 35 -4.298 14.994 -0.248 254 HA ASN 35 HA ASN 35 -6.323 15.901 1.535 255 HB2 ASN 35 HB2 ASN 35 -5.627 13.063 0.766 256 HB3 ASN 35 HB3 ASN 35 -7.105 13.575 1.566 257 HD21 ASN 35 HD21 ASN 35 -6.742 12.174 -0.944 258 HD22 ASN 35 HD22 ASN 35 -7.502 13.111 -2.158 259 H GLY 36 H GLY 36 -3.163 14.638 2.015 260 HA2 GLY 36 HA2 GLY 36 -2.154 14.917 4.175 261 HA3 GLY 36 HA3 GLY 36 -3.709 14.540 4.902 262 H ILE 37 H ILE 37 -2.811 12.601 2.268 263 HA ILE 37 HA ILE 37 -2.016 10.430 4.093 264 HB ILE 37 HB ILE 37 -3.368 10.164 1.360 265 HG12 ILE 37 HG12 ILE 37 -5.168 8.957 2.834 266 HG13 ILE 37 HG13 ILE 37 -4.396 9.904 4.106 267 HG21 ILE 37 HG21 ILE 37 -2.631 8.036 3.336 268 HG22 ILE 37 HG22 ILE 37 -1.874 8.340 1.766 269 HG23 ILE 37 HG23 ILE 37 -3.559 7.799 1.851 270 HD11 ILE 37 HD11 ILE 37 -4.965 11.949 2.972 271 HD12 ILE 37 HD12 ILE 37 -6.415 10.971 3.243 272 HD13 ILE 37 HD13 ILE 37 -5.661 11.021 1.644 273 H ASN 38 H ASN 38 -0.082 9.400 3.576 274 HA ASN 38 HA ASN 38 1.479 10.581 1.440 275 HB2 ASN 38 HB2 ASN 38 2.175 8.312 3.336 276 HB3 ASN 38 HB3 ASN 38 3.268 8.986 2.147 277 HD21 ASN 38 HD21 ASN 38 2.042 9.181 5.299 278 HD22 ASN 38 HD22 ASN 38 2.844 10.631 5.776 279 H GLU 39 H GLU 39 2.410 9.272 -0.260 280 HA GLU 39 HA GLU 39 1.126 6.707 -0.735 281 HB2 GLU 39 HB2 GLU 39 0.837 7.353 -3.152 282 HB3 GLU 39 HB3 GLU 39 -0.253 8.175 -2.042 283 HG2 GLU 39 HG2 GLU 39 0.957 10.168 -2.171 284 HG3 GLU 39 HG3 GLU 39 2.323 9.368 -2.945 285 H TYR 40 H TYR 40 2.375 5.371 -2.181 286 HA TYR 40 HA TYR 40 5.188 6.287 -2.362 287 HB2 TYR 40 HB2 TYR 40 4.227 3.713 -1.142 288 HB3 TYR 40 HB3 TYR 40 5.907 4.225 -1.316 289 HD1 TYR 40 HD2 TYR 40 6.724 6.030 -0.028 290 HD2 TYR 40 HD1 TYR 40 2.849 4.559 0.605 291 HE1 TYR 40 HE2 TYR 40 6.672 7.235 2.056 292 HE2 TYR 40 HE1 TYR 40 2.745 5.777 2.788 293 HH TYR 40 HH TYR 40 4.232 6.806 4.448 294 H TYR 41 H TYR 41 6.371 5.288 -3.917 295 HA TYR 41 HA TYR 41 4.971 3.833 -5.967 296 HB2 TYR 41 HB2 TYR 41 6.812 5.646 -6.271 297 HB3 TYR 41 HB3 TYR 41 7.943 4.387 -5.821 298 HD1 TYR 41 HD2 TYR 41 5.000 3.579 -7.916 299 HD2 TYR 41 HD1 TYR 41 9.130 4.633 -7.925 300 HE1 TYR 41 HE2 TYR 41 5.151 2.964 -10.276 301 HE2 TYR 41 HE1 TYR 41 9.276 4.022 -10.298 302 HH TYR 41 HH TYR 41 6.524 3.451 -12.221 303 H ILE 42 H ILE 42 4.510 1.822 -5.294 304 HA ILE 42 HA ILE 42 6.429 0.357 -3.624 305 HB ILE 42 HB ILE 42 3.602 -0.441 -4.351 306 HG12 ILE 42 HG12 ILE 42 3.522 1.672 -3.115 307 HG13 ILE 42 HG13 ILE 42 2.939 0.351 -2.109 308 HG21 ILE 42 HG21 ILE 42 5.453 -1.403 -2.166 309 HG22 ILE 42 HG22 ILE 42 5.009 -2.289 -3.624 310 HG23 ILE 42 HG23 ILE 42 3.785 -1.933 -2.405 311 HD11 ILE 42 HD11 ILE 42 5.175 0.264 -1.055 312 HD12 ILE 42 HD12 ILE 42 4.299 1.762 -0.787 313 HD13 ILE 42 HD13 ILE 42 5.611 1.710 -1.971 314 H LYS 43 H LYS 43 7.596 -1.282 -4.461 315 HA LYS 43 HA LYS 43 6.706 -2.285 -7.005 316 HB2 LYS 43 HB2 LYS 43 9.114 -1.637 -6.940 317 HB3 LYS 43 HB3 LYS 43 9.377 -2.911 -5.739 318 HG2 LYS 43 HG2 LYS 43 8.519 -4.576 -7.288 319 HG3 LYS 43 HG3 LYS 43 8.258 -3.339 -8.502 320 HD2 LYS 43 HD2 LYS 43 10.659 -2.940 -8.593 321 HD3 LYS 43 HD3 LYS 43 10.906 -4.178 -7.351 322 HE2 LYS 43 HE2 LYS 43 9.731 -4.586 -10.104 323 HE3 LYS 43 HE3 LYS 43 11.287 -5.169 -9.516 324 HZ1 LYS 43 HZ1 LYS 43 8.618 -6.042 -8.489 325 HZ2 LYS 43 HZ2 LYS 43 10.096 -6.564 -7.895 326 HZ3 LYS 43 HZ3 LYS 43 9.647 -6.959 -9.460 327 H TRP 44 H TRP 44 5.343 -3.793 -6.918 328 HA TRP 44 HA TRP 44 5.082 -5.405 -4.602 329 HB2 TRP 44 HB2 TRP 44 3.669 -5.715 -7.242 330 HB3 TRP 44 HB3 TRP 44 3.134 -6.270 -5.659 331 HD1 TRP 44 HD1 TRP 44 3.069 -3.283 -7.946 332 HE1 TRP 44 HE1 TRP 44 1.717 -1.398 -6.874 333 HE3 TRP 44 HE3 TRP 44 2.563 -5.264 -3.286 334 HZ2 TRP 44 HZ2 TRP 44 0.593 -0.809 -4.335 335 HZ3 TRP 44 HZ3 TRP 44 1.343 -4.002 -1.601 336 HH2 TRP 44 HH2 TRP 44 0.375 -1.809 -2.099 337 H ALA 45 H ALA 45 5.940 -7.289 -4.293 338 HA ALA 45 HA ALA 45 7.487 -8.555 -6.406 339 HB1 ALA 45 HB1 ALA 45 8.528 -8.424 -4.186 340 HB2 ALA 45 HB2 ALA 45 8.203 -10.107 -4.604 341 HB3 ALA 45 HB3 ALA 45 7.139 -9.253 -3.489 342 H GLY 46 H GLY 46 7.106 -10.817 -6.860 343 HA2 GLY 46 HA2 GLY 46 5.713 -12.722 -6.942 344 HA3 GLY 46 HA3 GLY 46 4.436 -11.785 -6.170 345 H TYR 47 H TYR 47 4.994 -9.522 -8.094 346 HA TYR 47 HA TYR 47 3.499 -10.699 -10.317 347 HB2 TYR 47 HB2 TYR 47 2.718 -8.501 -8.895 348 HB3 TYR 47 HB3 TYR 47 3.689 -7.748 -10.174 349 HD1 TYR 47 HD2 TYR 47 1.563 -10.511 -10.255 350 HD2 TYR 47 HD1 TYR 47 2.265 -6.806 -11.658 351 HE1 TYR 47 HE2 TYR 47 -0.431 -10.803 -11.806 352 HE2 TYR 47 HE1 TYR 47 0.394 -6.933 -13.244 353 HH TYR 47 HH TYR 47 -1.925 -9.452 -13.131 354 H ASP 48 H ASP 48 3.795 -9.214 -12.183 355 HA ASP 48 HA ASP 48 6.384 -9.635 -13.280 356 HB2 ASP 48 HB2 ASP 48 4.509 -9.332 -14.798 357 HB3 ASP 48 HB3 ASP 48 4.291 -7.667 -14.240 358 H TRP 49 H TRP 49 8.022 -8.230 -13.842 359 HA TRP 49 HA TRP 49 8.899 -6.693 -11.634 360 HB2 TRP 49 HB2 TRP 49 10.077 -6.872 -14.404 361 HB3 TRP 49 HB3 TRP 49 10.889 -6.229 -12.978 362 HD1 TRP 49 HD1 TRP 49 9.792 -9.513 -14.578 363 HE1 TRP 49 HE1 TRP 49 10.937 -11.459 -13.362 364 HE3 TRP 49 HE3 TRP 49 11.884 -6.919 -10.701 365 HZ2 TRP 49 HZ2 TRP 49 12.528 -11.851 -11.048 366 HZ3 TRP 49 HZ3 TRP 49 13.200 -8.153 -9.028 367 HH2 TRP 49 HH2 TRP 49 13.513 -10.567 -9.200 368 H TYR 50 H TYR 50 7.124 -5.774 -14.467 369 HA TYR 50 HA TYR 50 7.800 -2.958 -14.135 370 HB2 TYR 50 HB2 TYR 50 6.276 -4.405 -16.313 371 HB3 TYR 50 HB3 TYR 50 6.600 -2.676 -16.288 372 HD1 TYR 50 HD1 TYR 50 8.957 -1.871 -16.486 373 HD2 TYR 50 HD2 TYR 50 7.925 -5.958 -17.055 374 HE1 TYR 50 HE1 TYR 50 11.105 -2.251 -17.620 375 HE2 TYR 50 HE2 TYR 50 10.071 -6.350 -18.190 376 HH TYR 50 HH TYR 50 12.623 -4.136 -18.086 377 H ASP 51 H ASP 51 6.001 -4.574 -12.266 378 HA ASP 51 HA ASP 51 3.343 -3.667 -12.932 379 HB2 ASP 51 HB2 ASP 51 2.593 -5.045 -11.370 380 HB3 ASP 51 HB3 ASP 51 3.976 -5.975 -11.985 381 H ASN 52 H ASN 52 5.867 -2.627 -11.006 382 HA ASN 52 HA ASN 52 4.795 -1.715 -8.662 383 HB2 ASN 52 HB2 ASN 52 6.608 0.057 -8.671 384 HB3 ASN 52 HB3 ASN 52 7.130 -1.600 -8.871 385 HD21 ASN 52 HD21 ASN 52 5.753 0.236 -11.557 386 HD22 ASN 52 HD22 ASN 52 7.255 0.404 -12.397 387 H THR 53 H THR 53 3.866 0.121 -7.839 388 HA THR 53 HA THR 53 2.716 2.088 -9.735 389 HB THR 53 HB THR 53 0.491 1.748 -8.677 390 HG1 THR 53 HG1 THR 53 1.191 0.693 -6.770 391 HG21 THR 53 HG21 THR 53 0.757 0.701 -10.811 392 HG22 THR 53 HG22 THR 53 -0.091 -0.467 -9.749 393 HG23 THR 53 HG23 THR 53 1.618 -0.662 -10.094 394 H TRP 54 H TRP 54 1.496 3.729 -8.430 395 HA TRP 54 HA TRP 54 2.729 4.219 -5.829 396 HB2 TRP 54 HB2 TRP 54 0.809 5.939 -7.432 397 HB3 TRP 54 HB3 TRP 54 1.640 6.421 -5.959 398 HD1 TRP 54 HD1 TRP 54 2.234 5.814 -9.675 399 HE1 TRP 54 HE1 TRP 54 4.436 6.902 -10.354 400 HE3 TRP 54 HE3 TRP 54 3.953 7.161 -5.023 401 HZ2 TRP 54 HZ2 TRP 54 6.627 8.197 -9.104 402 HZ3 TRP 54 HZ3 TRP 54 6.096 8.330 -4.875 403 HH2 TRP 54 HH2 TRP 54 7.411 8.832 -6.864 404 H GLU 55 H GLU 55 1.603 3.914 -3.937 405 HA GLU 55 HA GLU 55 -1.299 3.505 -4.160 406 HB2 GLU 55 HB2 GLU 55 0.235 1.374 -4.082 407 HB3 GLU 55 HB3 GLU 55 0.487 1.822 -2.405 408 HG2 GLU 55 HG2 GLU 55 -1.227 0.140 -2.598 409 HG3 GLU 55 HG3 GLU 55 -1.922 1.652 -2.013 410 HA PRO 56 HA PRO 56 -0.893 6.236 -0.593 411 HB2 PRO 56 HB2 PRO 56 -3.221 5.741 0.727 412 HB3 PRO 56 HB3 PRO 56 -3.162 6.715 -0.760 413 HG2 PRO 56 HG2 PRO 56 -3.915 3.861 -0.429 414 HG3 PRO 56 HG3 PRO 56 -4.668 5.121 -1.431 415 HD2 PRO 56 HD2 PRO 56 -3.019 3.297 -2.492 416 HD3 PRO 56 HD3 PRO 56 -3.087 4.967 -3.079 417 H GLU 57 H GLU 57 -0.602 6.184 1.640 418 HA GLU 57 HA GLU 57 0.810 4.017 2.632 419 HB2 GLU 57 HB2 GLU 57 1.016 6.445 3.261 420 HB3 GLU 57 HB3 GLU 57 -0.440 6.257 4.191 421 HG2 GLU 57 HG2 GLU 57 0.554 4.997 5.826 422 HG3 GLU 57 HG3 GLU 57 1.865 4.468 4.771 423 H GLN 58 H GLN 58 -2.535 4.730 2.849 424 HA GLN 58 HA GLN 58 -3.320 3.182 5.052 425 HB2 GLN 58 HB2 GLN 58 -4.899 3.649 2.516 426 HB3 GLN 58 HB3 GLN 58 -5.556 3.158 4.068 427 HG2 GLN 58 HG2 GLN 58 -4.225 5.790 3.453 428 HG3 GLN 58 HG3 GLN 58 -5.952 5.516 3.634 429 HE21 GLN 58 HE21 GLN 58 -5.611 3.706 5.954 430 HE22 GLN 58 HE22 GLN 58 -5.157 4.756 7.248 431 H ASN 59 H ASN 59 -2.349 2.200 1.839 432 HA ASN 59 HA ASN 59 -3.464 -0.455 2.158 433 HB2 ASN 59 HB2 ASN 59 -1.964 0.873 -0.071 434 HB3 ASN 59 HB3 ASN 59 -2.211 -0.860 -0.060 435 HD21 ASN 59 HD21 ASN 59 -4.605 1.520 1.030 436 HD22 ASN 59 HD22 ASN 59 -5.699 1.208 -0.285 437 H LEU 60 H LEU 60 -0.687 1.117 3.147 438 HA LEU 60 HA LEU 60 1.180 -1.124 2.798 439 HB2 LEU 60 HB2 LEU 60 1.460 1.754 3.605 440 HB3 LEU 60 HB3 LEU 60 2.719 0.602 3.975 441 HG LEU 60 HG LEU 60 3.272 1.886 1.985 442 HD11 LEU 60 HD11 LEU 60 2.666 -0.980 1.368 443 HD12 LEU 60 HD12 LEU 60 4.131 -0.328 2.110 444 HD13 LEU 60 HD13 LEU 60 3.730 0.069 0.443 445 HD21 LEU 60 HD21 LEU 60 2.009 1.651 -0.102 446 HD22 LEU 60 HD22 LEU 60 1.030 2.406 1.155 447 HD23 LEU 60 HD23 LEU 60 0.783 0.709 0.745 448 H PHE 61 H PHE 61 -1.141 -1.020 4.666 449 HA PHE 61 HA PHE 61 -0.473 -0.752 7.327 450 HB2 PHE 61 HB2 PHE 61 -2.439 -2.066 7.830 451 HB3 PHE 61 HB3 PHE 61 -2.754 -1.171 6.347 452 HD1 PHE 61 HD1 PHE 61 -2.667 -2.358 4.140 453 HD2 PHE 61 HD2 PHE 61 -2.565 -4.429 7.860 454 HE1 PHE 61 HE1 PHE 61 -3.315 -4.441 3.002 455 HE2 PHE 61 HE2 PHE 61 -3.210 -6.511 6.723 456 HZ PHE 61 HZ PHE 61 -3.584 -6.519 4.294 457 H GLY 62 H GLY 62 0.307 -3.433 5.208 458 HA2 GLY 62 HA2 GLY 62 1.280 -5.024 7.454 459 HA3 GLY 62 HA3 GLY 62 1.144 -5.564 5.787 460 H ALA 63 H ALA 63 2.473 -2.942 4.978 461 HA ALA 63 HA ALA 63 5.149 -4.022 5.224 462 HB1 ALA 63 HB1 ALA 63 3.993 -2.104 3.237 463 HB2 ALA 63 HB2 ALA 63 4.245 -3.835 2.995 464 HB3 ALA 63 HB3 ALA 63 5.630 -2.762 3.213 465 H GLU 64 H GLU 64 3.839 -2.329 7.250 466 HA GLU 64 HA GLU 64 4.850 0.251 7.240 467 HB2 GLU 64 HB2 GLU 64 4.057 -1.615 9.430 468 HB3 GLU 64 HB3 GLU 64 4.726 -0.029 9.818 469 HG2 GLU 64 HG2 GLU 64 2.315 -0.511 8.076 470 HG3 GLU 64 HG3 GLU 64 2.256 -0.075 9.787 471 H LYS 65 H LYS 65 6.361 -2.689 8.264 472 HA LYS 65 HA LYS 65 8.707 -1.715 9.487 473 HB2 LYS 65 HB2 LYS 65 7.998 -4.114 9.412 474 HB3 LYS 65 HB3 LYS 65 8.456 -4.159 7.718 475 HG2 LYS 65 HG2 LYS 65 10.802 -3.577 8.443 476 HG3 LYS 65 HG3 LYS 65 10.270 -3.818 10.108 477 HD2 LYS 65 HD2 LYS 65 11.238 -5.881 9.457 478 HD3 LYS 65 HD3 LYS 65 9.496 -6.135 9.355 479 HE2 LYS 65 HE2 LYS 65 9.663 -5.591 6.892 480 HE3 LYS 65 HE3 LYS 65 11.413 -5.614 7.081 481 HZ1 LYS 65 HZ1 LYS 65 10.722 -7.733 6.285 482 HZ2 LYS 65 HZ2 LYS 65 9.492 -7.821 7.390 483 HZ3 LYS 65 HZ3 LYS 65 11.102 -7.985 7.928 484 H VAL 66 H VAL 66 8.073 -2.596 6.154 485 HA VAL 66 HA VAL 66 10.633 -1.937 5.126 486 HB VAL 66 HB VAL 66 7.979 -2.567 3.802 487 HG11 VAL 66 HG11 VAL 66 9.191 -2.937 1.771 488 HG12 VAL 66 HG12 VAL 66 10.689 -2.335 2.504 489 HG13 VAL 66 HG13 VAL 66 9.312 -1.240 2.248 490 HG21 VAL 66 HG21 VAL 66 8.992 -4.371 5.078 491 HG22 VAL 66 HG22 VAL 66 10.482 -4.195 4.153 492 HG23 VAL 66 HG23 VAL 66 9.001 -4.716 3.349 493 H LEU 67 H LEU 67 7.489 -0.352 5.140 494 HA LEU 67 HA LEU 67 8.171 1.788 3.495 495 HB2 LEU 67 HB2 LEU 67 5.897 1.176 3.854 496 HB3 LEU 67 HB3 LEU 67 6.039 1.474 5.577 497 HG LEU 67 HG LEU 67 6.331 3.838 5.181 498 HD11 LEU 67 HD11 LEU 67 6.136 4.772 2.968 499 HD12 LEU 67 HD12 LEU 67 6.011 3.156 2.266 500 HD13 LEU 67 HD13 LEU 67 7.501 3.678 3.058 501 HD21 LEU 67 HD21 LEU 67 3.971 2.675 3.717 502 HD22 LEU 67 HD22 LEU 67 4.105 4.329 4.317 503 HD23 LEU 67 HD23 LEU 67 4.077 2.979 5.452 504 H LYS 68 H LYS 68 7.958 1.580 7.023 505 HA LYS 68 HA LYS 68 8.869 4.181 7.358 506 HB2 LYS 68 HB2 LYS 68 8.376 1.927 9.238 507 HB3 LYS 68 HB3 LYS 68 9.379 3.255 9.806 508 HG2 LYS 68 HG2 LYS 68 6.972 3.514 10.408 509 HG3 LYS 68 HG3 LYS 68 7.602 4.850 9.457 510 HD2 LYS 68 HD2 LYS 68 6.525 3.871 7.433 511 HD3 LYS 68 HD3 LYS 68 5.871 2.573 8.430 512 HE2 LYS 68 HE2 LYS 68 4.607 4.216 9.752 513 HE3 LYS 68 HE3 LYS 68 5.288 5.522 8.792 514 HZ1 LYS 68 HZ1 LYS 68 3.960 4.826 6.879 515 HZ2 LYS 68 HZ2 LYS 68 2.946 4.690 8.225 516 HZ3 LYS 68 HZ3 LYS 68 3.649 3.340 7.627 517 H LYS 69 H LYS 69 10.587 1.165 7.166 518 HA LYS 69 HA LYS 69 13.168 2.022 7.733 519 HB2 LYS 69 HB2 LYS 69 12.695 -0.313 7.306 520 HB3 LYS 69 HB3 LYS 69 12.103 0.025 5.704 521 HG2 LYS 69 HG2 LYS 69 15.006 0.415 6.462 522 HG3 LYS 69 HG3 LYS 69 14.380 -1.146 5.954 523 HD2 LYS 69 HD2 LYS 69 14.371 1.405 4.301 524 HD3 LYS 69 HD3 LYS 69 15.467 0.043 4.084 525 HE2 LYS 69 HE2 LYS 69 13.540 -1.398 3.518 526 HE3 LYS 69 HE3 LYS 69 12.455 -0.030 3.735 527 HZ1 LYS 69 HZ1 LYS 69 13.724 1.077 1.838 528 HZ2 LYS 69 HZ2 LYS 69 12.830 -0.271 1.461 529 HZ3 LYS 69 HZ3 LYS 69 14.422 -0.439 1.521 530 H TRP 70 H TRP 70 11.315 2.314 4.700 531 HA TRP 70 HA TRP 70 13.305 3.585 3.171 532 HB2 TRP 70 HB2 TRP 70 11.441 2.751 1.946 533 HB3 TRP 70 HB3 TRP 70 10.285 3.570 2.987 534 HD1 TRP 70 HD1 TRP 70 9.605 6.057 2.354 535 HE1 TRP 70 HE1 TRP 70 10.119 7.623 0.380 536 HE3 TRP 70 HE3 TRP 70 13.323 3.318 0.138 537 HZ2 TRP 70 HZ2 TRP 70 11.857 7.658 -1.842 538 HZ3 TRP 70 HZ3 TRP 70 14.347 4.192 -1.921 539 HH2 TRP 70 HH2 TRP 70 13.628 6.313 -2.888 540 H LYS 71 H LYS 71 10.523 5.041 4.810 541 HA LYS 71 HA LYS 71 11.407 7.622 4.165 542 HB2 LYS 71 HB2 LYS 71 9.024 7.016 4.465 543 HB3 LYS 71 HB3 LYS 71 9.291 6.934 6.195 544 HG2 LYS 71 HG2 LYS 71 9.527 9.234 6.420 545 HG3 LYS 71 HG3 LYS 71 10.015 9.412 4.731 546 HD2 LYS 71 HD2 LYS 71 7.216 8.659 5.566 547 HD3 LYS 71 HD3 LYS 71 7.728 10.323 5.254 548 HE2 LYS 71 HE2 LYS 71 8.494 9.549 2.970 549 HE3 LYS 71 HE3 LYS 71 7.745 8.000 3.356 550 HZ1 LYS 71 HZ1 LYS 71 6.161 10.513 3.375 551 HZ2 LYS 71 HZ2 LYS 71 5.615 8.902 3.210 552 HZ3 LYS 71 HZ3 LYS 71 6.525 9.664 1.982 553 H LYS 72 H LYS 72 12.171 5.673 6.853 554 HA LYS 72 HA LYS 72 13.139 7.869 8.424 555 HB2 LYS 72 HB2 LYS 72 12.379 5.672 9.393 556 HB3 LYS 72 HB3 LYS 72 13.805 4.929 8.697 557 HG2 LYS 72 HG2 LYS 72 14.151 5.340 11.052 558 HG3 LYS 72 HG3 LYS 72 15.220 6.379 10.110 559 HD2 LYS 72 HD2 LYS 72 13.757 8.276 10.456 560 HD3 LYS 72 HD3 LYS 72 12.564 7.255 11.256 561 HE2 LYS 72 HE2 LYS 72 15.366 7.776 12.257 562 HE3 LYS 72 HE3 LYS 72 13.918 8.589 12.842 563 HZ1 LYS 72 HZ1 LYS 72 14.449 5.664 13.025 564 HZ2 LYS 72 HZ2 LYS 72 13.065 6.451 13.589 565 HZ3 LYS 72 HZ3 LYS 72 14.563 6.775 14.295 566 H ARG 73 H ARG 73 14.609 5.372 6.341 567 HA ARG 73 HA ARG 73 17.246 6.418 6.789 568 HB2 ARG 73 HB2 ARG 73 16.204 4.164 5.123 569 HB3 ARG 73 HB3 ARG 73 17.875 4.691 5.010 570 HG2 ARG 73 HG2 ARG 73 16.624 3.923 7.633 571 HG3 ARG 73 HG3 ARG 73 17.356 2.732 6.561 572 HD2 ARG 73 HD2 ARG 73 18.944 3.461 8.284 573 HD3 ARG 73 HD3 ARG 73 19.490 3.920 6.677 574 HE ARG 73 HE ARG 73 18.061 5.885 8.283 575 HH11 ARG 73 HH11 ARG 73 21.142 4.780 6.946 576 HH12 ARG 73 HH12 ARG 73 21.977 6.241 7.174 577 HH21 ARG 73 HH21 ARG 73 19.209 7.965 8.618 578 HH22 ARG 73 HH22 ARG 73 20.837 8.107 8.164 579 H LYS 74 H LYS 74 14.837 6.972 4.343 580 HA LYS 74 HA LYS 74 16.829 8.017 2.529 581 HB2 LYS 74 HB2 LYS 74 14.518 6.843 1.980 582 HB3 LYS 74 HB3 LYS 74 13.875 8.452 2.195 583 HG2 LYS 74 HG2 LYS 74 15.892 7.579 0.100 584 HG3 LYS 74 HG3 LYS 74 14.198 7.925 -0.172 585 HD2 LYS 74 HD2 LYS 74 15.161 9.880 -0.946 586 HD3 LYS 74 HD3 LYS 74 14.905 10.325 0.740 587 HE2 LYS 74 HE2 LYS 74 17.240 9.701 1.239 588 HE3 LYS 74 HE3 LYS 74 17.485 9.286 -0.454 589 HZ1 LYS 74 HZ1 LYS 74 17.139 11.678 -1.023 590 HZ2 LYS 74 HZ2 LYS 74 18.295 11.529 0.250 591 HZ3 LYS 74 HZ3 LYS 74 16.807 11.980 0.608 592 H LYS 75 H LYS 75 17.743 9.724 3.601 593 HA LYS 75 HA LYS 75 15.983 11.982 4.059 594 HB2 LYS 75 HB2 LYS 75 18.782 11.407 5.084 595 HB3 LYS 75 HB3 LYS 75 18.034 12.997 5.215 596 HG2 LYS 75 HG2 LYS 75 16.866 10.467 6.357 597 HG3 LYS 75 HG3 LYS 75 17.815 11.643 7.277 598 HD2 LYS 75 HD2 LYS 75 16.124 13.138 7.365 599 HD3 LYS 75 HD3 LYS 75 15.555 12.794 5.742 600 HE2 LYS 75 HE2 LYS 75 15.058 11.156 8.225 601 HE3 LYS 75 HE3 LYS 75 13.882 12.154 7.365 602 HZ1 LYS 75 HZ1 LYS 75 14.350 10.662 5.376 603 HZ2 LYS 75 HZ2 LYS 75 13.504 9.949 6.613 604 HZ3 LYS 75 HZ3 LYS 75 15.145 9.636 6.447 605 H1 ALA 1 H1 ALA 1 14.151 -15.540 3.704 606 H2 ALA 1 H2 ALA 1 14.153 -16.974 2.840 607 H3 ALA 1 H3 ALA 1 14.926 -16.902 4.365 608 HA ALA 1 HA ALA 1 12.760 -17.999 4.495 609 HB1 ALA 1 HB1 ALA 1 12.798 -15.238 5.739 610 HB2 ALA 1 HB2 ALA 1 13.528 -16.686 6.430 611 HB3 ALA 1 HB3 ALA 1 11.776 -16.581 6.251 612 H ARG 2 H ARG 2 10.340 -17.589 4.398 613 HA ARG 2 HA ARG 2 9.775 -15.752 2.208 614 HB2 ARG 2 HB2 ARG 2 8.661 -18.441 2.844 615 HB3 ARG 2 HB3 ARG 2 7.622 -17.270 2.048 616 HG2 ARG 2 HG2 ARG 2 10.341 -17.982 0.973 617 HG3 ARG 2 HG3 ARG 2 8.897 -18.904 0.563 618 HD2 ARG 2 HD2 ARG 2 9.339 -17.269 -1.184 619 HD3 ARG 2 HD3 ARG 2 7.859 -16.847 -0.344 620 HE ARG 2 HE ARG 2 10.294 -15.475 0.504 621 HH11 ARG 2 HH11 ARG 2 7.298 -15.287 -1.458 622 HH12 ARG 2 HH12 ARG 2 7.364 -13.587 -1.587 623 HH21 ARG 2 HH21 ARG 2 10.313 -13.038 0.208 624 HH22 ARG 2 HH22 ARG 2 9.049 -12.373 -0.713 625 H THR 3 H THR 3 9.736 -15.558 5.319 626 HA THR 3 HA THR 3 7.175 -14.591 5.919 627 HB THR 3 HB THR 3 9.805 -13.604 7.035 628 HG1 THR 3 HG1 THR 3 8.800 -15.792 8.309 629 HG21 THR 3 HG21 THR 3 8.534 -13.578 9.148 630 HG22 THR 3 HG22 THR 3 7.132 -14.252 8.317 631 HG23 THR 3 HG23 THR 3 7.700 -12.632 7.913 632 H LYS 4 H LYS 4 6.444 -13.124 4.418 633 HA LYS 4 HA LYS 4 8.342 -11.198 3.341 634 HB2 LYS 4 HB2 LYS 4 6.974 -11.187 1.358 635 HB3 LYS 4 HB3 LYS 4 7.423 -12.827 1.769 636 HG2 LYS 4 HG2 LYS 4 5.105 -13.058 2.821 637 HG3 LYS 4 HG3 LYS 4 4.712 -11.527 2.036 638 HD2 LYS 4 HD2 LYS 4 5.788 -12.827 -0.053 639 HD3 LYS 4 HD3 LYS 4 5.176 -14.208 0.847 640 HE2 LYS 4 HE2 LYS 4 3.555 -11.824 -0.073 641 HE3 LYS 4 HE3 LYS 4 3.606 -13.384 -0.867 642 HZ1 LYS 4 HZ1 LYS 4 2.512 -14.356 1.102 643 HZ2 LYS 4 HZ2 LYS 4 1.663 -13.126 0.401 644 HZ3 LYS 4 HZ3 LYS 4 2.443 -12.827 1.845 645 H GLN 5 H GLN 5 7.512 -9.063 2.824 646 HA GLN 5 HA GLN 5 5.485 -8.209 4.773 647 HB2 GLN 5 HB2 GLN 5 7.982 -7.088 4.225 648 HB3 GLN 5 HB3 GLN 5 6.851 -6.180 3.203 649 HG2 GLN 5 HG2 GLN 5 7.015 -5.001 5.126 650 HG3 GLN 5 HG3 GLN 5 5.452 -5.844 5.103 651 HE21 GLN 5 HE21 GLN 5 5.163 -5.848 7.329 652 HE22 GLN 5 HE22 GLN 5 6.076 -6.841 8.400 653 H THR 6 H THR 6 3.546 -7.342 3.858 654 HA THR 6 HA THR 6 3.633 -7.057 0.976 655 HB THR 6 HB THR 6 1.734 -8.398 0.649 656 HG1 THR 6 HG1 THR 6 1.020 -9.593 2.864 657 HG21 THR 6 HG21 THR 6 3.817 -9.745 0.929 658 HG22 THR 6 HG22 THR 6 2.376 -10.631 1.403 659 HG23 THR 6 HG23 THR 6 3.411 -9.924 2.632 660 H ALA 7 H ALA 7 1.560 -5.962 0.179 661 HA ALA 7 HA ALA 7 0.086 -4.466 2.150 662 HB1 ALA 7 HB1 ALA 7 1.759 -3.085 0.010 663 HB2 ALA 7 HB2 ALA 7 1.954 -2.959 1.746 664 HB3 ALA 7 HB3 ALA 7 0.508 -2.304 0.978 665 H ARG 8 H ARG 8 -1.618 -3.122 0.754 666 HA ARG 8 HA ARG 8 -3.100 -5.189 -0.415 667 HB2 ARG 8 HB2 ARG 8 -3.665 -2.263 -0.623 668 HB3 ARG 8 HB3 ARG 8 -4.739 -3.523 -1.171 669 HG2 ARG 8 HG2 ARG 8 -4.689 -4.359 1.267 670 HG3 ARG 8 HG3 ARG 8 -3.984 -2.764 1.610 671 HD2 ARG 8 HD2 ARG 8 -6.425 -2.749 1.850 672 HD3 ARG 8 HD3 ARG 8 -5.851 -1.647 0.598 673 HE ARG 8 HE ARG 8 -6.980 -4.332 0.012 674 HH11 ARG 8 HH11 ARG 8 -6.663 -0.921 -0.846 675 HH12 ARG 8 HH12 ARG 8 -7.716 -0.983 -2.182 676 HH21 ARG 8 HH21 ARG 8 -8.338 -4.502 -1.778 677 HH22 ARG 8 HH22 ARG 8 -8.761 -3.157 -2.728 678 H M3L 9 H M3L 9 -2.001 -2.309 -2.211 679 HA M3L 9 HA M3L 9 -2.008 -1.780 -4.402 680 HB2 M3L 9 1HB M3L 9 -0.683 -3.839 -4.925 681 HB3 M3L 9 2HB M3L 9 -2.199 -4.719 -5.094 682 HG2 M3L 9 1HG M3L 9 -1.629 -2.276 -6.751 683 HG3 M3L 9 2HG M3L 9 -2.813 -3.549 -7.034 684 HD2 M3L 9 1HD M3L 9 -0.459 -3.365 -8.298 685 HD3 M3L 9 2HD M3L 9 0.026 -4.394 -6.948 686 HE2 M3L 9 1HE M3L 9 -2.242 -4.886 -8.860 687 HE3 M3L 9 2HE M3L 9 -1.889 -5.893 -7.473 688 HM11 M3L 9 1HM1 M3L 9 -0.320 -7.846 -10.430 689 HM12 M3L 9 2HM1 M3L 9 -1.495 -7.949 -9.116 690 HM13 M3L 9 3HM1 M3L 9 -1.823 -6.941 -10.487 691 HM21 M3L 9 1HM2 M3L 9 1.117 -7.510 -8.552 692 HM22 M3L 9 2HM2 M3L 9 0.481 -6.616 -7.158 693 HM23 M3L 9 3HM2 M3L 9 1.603 -5.906 -8.273 694 HM31 M3L 9 3HM3 M3L 9 0.994 -5.621 -10.664 695 HM32 M3L 9 1HM3 M3L 9 -0.483 -4.672 -10.814 696 HM33 M3L 9 2HM3 M3L 9 0.741 -4.291 -9.631 697 H SER 10 H SER 10 -3.805 -0.728 -4.366 698 HA SER 10 HA SER 10 -6.240 -1.866 -3.579 699 HB2 SER 10 HB2 SER 10 -5.587 0.495 -3.135 700 HB3 SER 10 HB3 SER 10 -5.876 0.859 -4.840 701 HG SER 10 HG SER 10 -7.964 0.675 -4.552 702 H THR 11 H THR 11 -6.933 -3.402 -4.869 703 HA THR 11 HA THR 11 -7.294 -2.985 -7.687 704 HB THR 11 HB THR 11 -6.487 -5.162 -6.839 705 HG1 THR 11 HG1 THR 11 -8.036 -6.495 -7.922 706 HG21 THR 11 HG21 THR 11 -9.199 -5.391 -5.513 707 HG22 THR 11 HG22 THR 11 -7.650 -5.229 -4.685 708 HG23 THR 11 HG23 THR 11 -8.003 -6.683 -5.618 709 H GLY 12 H GLY 12 -9.595 -4.074 -8.337 710 HA2 GLY 12 HA2 GLY 12 -11.946 -4.043 -8.041 711 HA3 GLY 12 HA3 GLY 12 -11.735 -2.887 -6.731 712 H GLY 13 H GLY 13 -10.847 -0.750 -7.412 713 HA2 GLY 13 HA2 GLY 13 -11.685 0.001 -10.110 714 HA3 GLY 13 HA3 GLY 13 -12.463 0.796 -8.745 715 H LYS 14 H LYS 14 -9.398 0.273 -10.364 716 HA LYS 14 HA LYS 14 -8.600 2.938 -9.583 717 HB2 LYS 14 HB2 LYS 14 -7.653 1.505 -7.818 718 HB3 LYS 14 HB3 LYS 14 -6.887 0.501 -9.037 719 HG2 LYS 14 HG2 LYS 14 -5.493 2.393 -9.720 720 HG3 LYS 14 HG3 LYS 14 -6.264 3.399 -8.492 721 HD2 LYS 14 HD2 LYS 14 -5.436 1.918 -6.741 722 HD3 LYS 14 HD3 LYS 14 -4.696 0.874 -7.957 723 HE2 LYS 14 HE2 LYS 14 -3.254 2.717 -8.657 724 HE3 LYS 14 HE3 LYS 14 -4.009 3.766 -7.460 725 HZ1 LYS 14 HZ1 LYS 14 -1.884 2.837 -6.636 726 HZ2 LYS 14 HZ2 LYS 14 -2.534 1.269 -6.741 727 HZ3 LYS 14 HZ3 LYS 14 -3.179 2.338 -5.714 728 H ALA 15 H ALA 15 -8.594 3.676 -11.643 729 HA ALA 15 HA ALA 15 -6.573 2.620 -13.402 730 HB1 ALA 15 HB1 ALA 15 -9.469 2.897 -14.238 731 HB2 ALA 15 HB2 ALA 15 -8.582 1.383 -14.067 732 HB3 ALA 15 HB3 ALA 15 -8.125 2.536 -15.322 733 HA PRO 16 HA PRO 16 -6.342 7.082 -13.893 734 HB2 PRO 16 HB2 PRO 16 -4.627 6.687 -16.216 735 HB3 PRO 16 HB3 PRO 16 -4.174 7.299 -14.615 736 HG2 PRO 16 HG2 PRO 16 -3.334 4.913 -15.553 737 HG3 PRO 16 HG3 PRO 16 -3.570 5.262 -13.829 738 HD2 PRO 16 HD2 PRO 16 -5.328 3.739 -15.691 739 HD3 PRO 16 HD3 PRO 16 -4.933 3.449 -13.981 740 H ARG 17 H ARG 17 -7.938 8.220 -14.851 741 HA ARG 17 HA ARG 17 -8.443 7.747 -17.661 742 HB2 ARG 17 HB2 ARG 17 -10.407 7.436 -15.479 743 HB3 ARG 17 HB3 ARG 17 -10.946 8.287 -16.913 744 HG2 ARG 17 HG2 ARG 17 -9.840 5.489 -16.795 745 HG3 ARG 17 HG3 ARG 17 -11.525 5.949 -17.045 746 HD2 ARG 17 HD2 ARG 17 -9.190 6.364 -18.923 747 HD3 ARG 17 HD3 ARG 17 -10.644 5.420 -19.186 748 HE ARG 17 HE ARG 17 -11.142 8.254 -18.782 749 HH11 ARG 17 HH11 ARG 17 -10.605 5.737 -21.200 750 HH12 ARG 17 HH12 ARG 17 -11.076 6.723 -22.516 751 HH21 ARG 17 HH21 ARG 17 -11.704 9.592 -20.515 752 HH22 ARG 17 HH22 ARG 17 -11.729 9.049 -22.109 753 H TYR 18 H TYR 18 -8.974 9.407 -18.832 754 HA TYR 18 HA TYR 18 -9.839 11.866 -17.616 755 HB2 TYR 18 HB2 TYR 18 -7.767 11.583 -19.849 756 HB3 TYR 18 HB3 TYR 18 -8.461 13.101 -19.303 757 HD1 TYR 18 HD1 TYR 18 -7.908 13.921 -16.987 758 HD2 TYR 18 HD2 TYR 18 -5.888 10.630 -18.770 759 HE1 TYR 18 HE1 TYR 18 -6.080 14.170 -15.362 760 HE2 TYR 18 HE2 TYR 18 -4.057 10.867 -17.148 761 HH TYR 18 HH TYR 18 -3.093 12.627 -15.714 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -32.705 -8.043 30.652 2 H2 MET 1 H2 MET 1 -31.464 -8.939 29.866 3 H3 MET 1 H3 MET 1 -31.934 -9.378 31.397 4 HA MET 1 HA MET 1 -34.047 -10.121 30.567 5 HB2 MET 1 HB2 MET 1 -33.836 -8.310 28.640 6 HB3 MET 1 HB3 MET 1 -32.891 -9.529 27.816 7 HG2 MET 1 HG2 MET 1 -35.782 -9.821 28.654 8 HG3 MET 1 HG3 MET 1 -35.223 -9.418 27.038 9 HE1 MET 1 HE1 MET 1 -36.652 -11.365 25.973 10 HE2 MET 1 HE2 MET 1 -37.286 -11.745 27.574 11 HE3 MET 1 HE3 MET 1 -36.624 -13.028 26.560 12 H VAL 2 H VAL 2 -33.957 -12.445 29.843 13 HA VAL 2 HA VAL 2 -31.211 -13.377 29.934 14 HB VAL 2 HB VAL 2 -33.767 -15.027 30.038 15 HG11 VAL 2 HG11 VAL 2 -32.330 -16.806 30.939 16 HG12 VAL 2 HG12 VAL 2 -30.921 -15.766 30.736 17 HG13 VAL 2 HG13 VAL 2 -31.823 -16.311 29.323 18 HG21 VAL 2 HG21 VAL 2 -32.039 -14.071 32.326 19 HG22 VAL 2 HG22 VAL 2 -33.394 -15.192 32.464 20 HG23 VAL 2 HG23 VAL 2 -33.676 -13.527 31.958 21 H SER 3 H SER 3 -30.708 -12.654 27.865 22 HA SER 3 HA SER 3 -31.928 -14.181 25.713 23 HB2 SER 3 HB2 SER 3 -31.104 -12.207 24.313 24 HB3 SER 3 HB3 SER 3 -32.463 -11.894 25.396 25 HG SER 3 HG SER 3 -29.736 -11.317 25.831 26 H VAL 4 H VAL 4 -30.566 -15.886 25.635 27 HA VAL 4 HA VAL 4 -27.705 -15.330 25.328 28 HB VAL 4 HB VAL 4 -29.045 -17.952 26.088 29 HG11 VAL 4 HG11 VAL 4 -26.938 -18.294 24.920 30 HG12 VAL 4 HG12 VAL 4 -26.776 -18.730 26.623 31 HG13 VAL 4 HG13 VAL 4 -26.122 -17.201 26.039 32 HG21 VAL 4 HG21 VAL 4 -27.534 -16.007 27.840 33 HG22 VAL 4 HG22 VAL 4 -28.117 -17.594 28.341 34 HG23 VAL 4 HG23 VAL 4 -29.267 -16.332 27.898 35 H LYS 5 H LYS 5 -26.852 -15.741 23.387 36 HA LYS 5 HA LYS 5 -28.556 -17.100 21.423 37 HB2 LYS 5 HB2 LYS 5 -27.664 -15.713 19.716 38 HB3 LYS 5 HB3 LYS 5 -27.827 -14.618 21.071 39 HG2 LYS 5 HG2 LYS 5 -25.497 -14.703 21.533 40 HG3 LYS 5 HG3 LYS 5 -25.266 -16.024 20.388 41 HD2 LYS 5 HD2 LYS 5 -26.176 -14.397 18.628 42 HD3 LYS 5 HD3 LYS 5 -25.871 -13.141 19.832 43 HE2 LYS 5 HE2 LYS 5 -23.968 -13.344 18.348 44 HE3 LYS 5 HE3 LYS 5 -23.528 -13.873 19.972 45 HZ1 LYS 5 HZ1 LYS 5 -24.272 -15.669 17.722 46 HZ2 LYS 5 HZ2 LYS 5 -23.676 -16.229 19.199 47 HZ3 LYS 5 HZ3 LYS 5 -22.743 -15.308 18.114 48 HA PRO 6 HA PRO 6 -25.521 -20.349 20.913 49 HB2 PRO 6 HB2 PRO 6 -25.001 -20.252 18.180 50 HB3 PRO 6 HB3 PRO 6 -26.356 -21.122 18.927 51 HG2 PRO 6 HG2 PRO 6 -26.332 -18.434 17.666 52 HG3 PRO 6 HG3 PRO 6 -27.566 -19.710 17.592 53 HD2 PRO 6 HD2 PRO 6 -27.934 -17.610 19.148 54 HD3 PRO 6 HD3 PRO 6 -28.392 -19.232 19.700 55 H LEU 7 H LEU 7 -23.385 -20.839 19.819 56 HA LEU 7 HA LEU 7 -21.485 -18.873 20.731 57 HB2 LEU 7 HB2 LEU 7 -21.239 -21.725 19.743 58 HB3 LEU 7 HB3 LEU 7 -19.847 -20.793 20.202 59 HG LEU 7 HG LEU 7 -20.295 -22.231 21.989 60 HD11 LEU 7 HD11 LEU 7 -20.826 -20.797 23.872 61 HD12 LEU 7 HD12 LEU 7 -21.425 -19.566 22.765 62 HD13 LEU 7 HD13 LEU 7 -19.724 -20.031 22.729 63 HD21 LEU 7 HD21 LEU 7 -23.190 -21.361 21.935 64 HD22 LEU 7 HD22 LEU 7 -22.470 -22.436 23.133 65 HD23 LEU 7 HD23 LEU 7 -22.559 -22.934 21.444 66 HA PRO 8 HA PRO 8 -19.373 -16.819 17.405 67 HB2 PRO 8 HB2 PRO 8 -17.930 -19.394 16.939 68 HB3 PRO 8 HB3 PRO 8 -17.296 -17.730 16.937 69 HG2 PRO 8 HG2 PRO 8 -17.294 -19.438 19.148 70 HG3 PRO 8 HG3 PRO 8 -17.031 -17.686 19.176 71 HD2 PRO 8 HD2 PRO 8 -19.182 -18.971 20.413 72 HD3 PRO 8 HD3 PRO 8 -19.120 -17.255 19.987 73 H ASP 9 H ASP 9 -20.675 -16.324 15.910 74 HA ASP 9 HA ASP 9 -22.111 -18.130 14.209 75 HB2 ASP 9 HB2 ASP 9 -21.932 -15.149 13.858 76 HB3 ASP 9 HB3 ASP 9 -23.315 -16.209 13.623 77 H ILE 10 H ILE 10 -19.114 -16.689 14.205 78 HA ILE 10 HA ILE 10 -18.918 -16.431 11.292 79 HB ILE 10 HB ILE 10 -16.961 -15.494 13.428 80 HG12 ILE 10 HG12 ILE 10 -18.945 -13.877 11.797 81 HG13 ILE 10 HG13 ILE 10 -19.124 -14.278 13.499 82 HG21 ILE 10 HG21 ILE 10 -17.059 -14.907 10.460 83 HG22 ILE 10 HG22 ILE 10 -15.896 -15.954 11.263 84 HG23 ILE 10 HG23 ILE 10 -15.904 -14.220 11.606 85 HD11 ILE 10 HD11 ILE 10 -16.946 -12.575 12.301 86 HD12 ILE 10 HD12 ILE 10 -17.126 -12.965 14.012 87 HD13 ILE 10 HD13 ILE 10 -18.352 -11.995 13.194 88 H ASP 11 H ASP 11 -17.521 -17.710 10.151 89 HA ASP 11 HA ASP 11 -16.742 -20.199 11.278 90 HB2 ASP 11 HB2 ASP 11 -17.493 -19.839 8.888 91 HB3 ASP 11 HB3 ASP 11 -15.955 -19.045 8.586 92 H SER 12 H SER 12 -14.425 -21.001 10.822 93 HA SER 12 HA SER 12 -12.679 -19.088 12.165 94 HB2 SER 12 HB2 SER 12 -13.183 -21.108 13.448 95 HB3 SER 12 HB3 SER 12 -12.557 -22.107 12.137 96 HG SER 12 HG SER 12 -10.639 -20.514 12.582 97 H ASN 13 H ASN 13 -13.067 -20.565 9.079 98 HA ASN 13 HA ASN 13 -10.255 -19.947 8.603 99 HB2 ASN 13 HB2 ASN 13 -9.832 -21.789 7.171 100 HB3 ASN 13 HB3 ASN 13 -10.587 -22.446 8.602 101 HD21 ASN 13 HD21 ASN 13 -13.432 -21.865 7.689 102 HD22 ASN 13 HD22 ASN 13 -13.647 -22.941 6.396 103 H GLU 14 H GLU 14 -9.627 -19.067 6.730 104 HA GLU 14 HA GLU 14 -11.755 -18.032 5.027 105 HB2 GLU 14 HB2 GLU 14 -9.214 -16.643 5.915 106 HB3 GLU 14 HB3 GLU 14 -10.344 -16.003 4.731 107 HG2 GLU 14 HG2 GLU 14 -12.095 -15.956 6.464 108 HG3 GLU 14 HG3 GLU 14 -10.915 -16.534 7.639 109 H GLY 15 H GLY 15 -10.617 -17.156 2.930 110 HA2 GLY 15 HA2 GLY 15 -9.285 -19.503 1.806 111 HA3 GLY 15 HA3 GLY 15 -9.966 -18.163 0.890 112 H GLU 16 H GLU 16 -8.353 -17.224 -0.262 113 HA GLU 16 HA GLU 16 -5.774 -16.909 1.085 114 HB2 GLU 16 HB2 GLU 16 -6.233 -18.143 -1.314 115 HB3 GLU 16 HB3 GLU 16 -5.979 -16.491 -1.855 116 HG2 GLU 16 HG2 GLU 16 -4.044 -18.205 -0.295 117 HG3 GLU 16 HG3 GLU 16 -3.886 -17.666 -1.965 118 H THR 17 H THR 17 -4.731 -14.815 0.720 119 HA THR 17 HA THR 17 -6.832 -12.761 0.667 120 HB THR 17 HB THR 17 -4.244 -12.428 2.164 121 HG1 THR 17 HG1 THR 17 -5.675 -14.446 2.566 122 HG21 THR 17 HG21 THR 17 -7.078 -11.459 2.653 123 HG22 THR 17 HG22 THR 17 -5.798 -10.499 1.918 124 HG23 THR 17 HG23 THR 17 -5.652 -11.022 3.596 125 H ASP 18 H ASP 18 -4.387 -13.755 -1.391 126 HA ASP 18 HA ASP 18 -2.726 -11.606 -1.888 127 HB2 ASP 18 HB2 ASP 18 -2.100 -12.625 -3.866 128 HB3 ASP 18 HB3 ASP 18 -2.977 -13.970 -3.151 129 H ALA 19 H ALA 19 -5.991 -11.986 -2.937 130 HA ALA 19 HA ALA 19 -6.301 -9.952 -4.777 131 HB1 ALA 19 HB1 ALA 19 -8.333 -10.772 -2.705 132 HB2 ALA 19 HB2 ALA 19 -8.053 -11.581 -4.246 133 HB3 ALA 19 HB3 ALA 19 -8.668 -9.929 -4.217 134 H ASP 20 H ASP 20 -5.906 -9.653 -1.335 135 HA ASP 20 HA ASP 20 -6.061 -6.771 -1.731 136 HB2 ASP 20 HB2 ASP 20 -8.142 -7.686 -0.607 137 HB3 ASP 20 HB3 ASP 20 -7.113 -8.111 0.760 138 H VAL 21 H VAL 21 -3.957 -9.084 -1.304 139 HA VAL 21 HA VAL 21 -2.161 -7.343 0.190 140 HB VAL 21 HB VAL 21 -2.544 -10.231 0.860 141 HG11 VAL 21 HG11 VAL 21 -0.210 -9.666 0.979 142 HG12 VAL 21 HG12 VAL 21 -0.820 -9.904 2.617 143 HG13 VAL 21 HG13 VAL 21 -0.557 -8.268 2.000 144 HG21 VAL 21 HG21 VAL 21 -3.049 -7.850 2.636 145 HG22 VAL 21 HG22 VAL 21 -3.154 -9.550 3.137 146 HG23 VAL 21 HG23 VAL 21 -4.242 -8.919 1.896 147 H TYR 22 H TYR 22 -0.562 -7.088 -1.253 148 HA TYR 22 HA TYR 22 0.485 -9.525 -2.476 149 HB2 TYR 22 HB2 TYR 22 0.442 -6.743 -3.624 150 HB3 TYR 22 HB3 TYR 22 1.588 -7.952 -4.194 151 HD1 TYR 22 HD2 TYR 22 0.812 -9.953 -5.350 152 HD2 TYR 22 HD1 TYR 22 -1.900 -6.902 -4.187 153 HE1 TYR 22 HE2 TYR 22 -0.881 -10.896 -6.859 154 HE2 TYR 22 HE1 TYR 22 -3.608 -7.846 -5.692 155 HH TYR 22 HH TYR 22 -3.453 -10.863 -6.867 156 H GLU 23 H GLU 23 2.901 -9.493 -2.884 157 HA GLU 23 HA GLU 23 4.102 -9.050 -0.373 158 HB2 GLU 23 HB2 GLU 23 4.429 -10.925 -2.151 159 HB3 GLU 23 HB3 GLU 23 5.423 -9.649 -2.883 160 HG2 GLU 23 HG2 GLU 23 6.923 -9.672 -1.080 161 HG3 GLU 23 HG3 GLU 23 5.870 -10.720 -0.130 162 H VAL 24 H VAL 24 5.645 -7.480 0.159 163 HA VAL 24 HA VAL 24 6.035 -5.379 -1.834 164 HB VAL 24 HB VAL 24 6.145 -5.207 1.197 165 HG11 VAL 24 HG11 VAL 24 7.915 -3.793 0.229 166 HG12 VAL 24 HG12 VAL 24 6.609 -2.799 0.882 167 HG13 VAL 24 HG13 VAL 24 6.735 -3.059 -0.856 168 HG21 VAL 24 HG21 VAL 24 4.336 -3.606 0.896 169 HG22 VAL 24 HG22 VAL 24 3.917 -5.196 0.260 170 HG23 VAL 24 HG23 VAL 24 4.374 -3.896 -0.841 171 H GLU 25 H GLU 25 7.871 -5.682 -2.843 172 HA GLU 25 HA GLU 25 10.077 -6.999 -1.626 173 HB2 GLU 25 HB2 GLU 25 9.554 -6.788 -4.152 174 HB3 GLU 25 HB3 GLU 25 10.265 -5.191 -4.040 175 HG2 GLU 25 HG2 GLU 25 11.874 -6.850 -4.841 176 HG3 GLU 25 HG3 GLU 25 12.372 -6.149 -3.296 177 H ASP 26 H ASP 26 9.533 -3.552 -2.588 178 HA ASP 26 HA ASP 26 10.488 -2.461 -0.185 179 HB2 ASP 26 HB2 ASP 26 12.713 -3.363 -1.093 180 HB3 ASP 26 HB3 ASP 26 12.523 -2.282 -2.459 181 H ILE 27 H ILE 27 11.111 -0.049 -0.703 182 HA ILE 27 HA ILE 27 8.881 0.990 -2.326 183 HB ILE 27 HB ILE 27 10.682 2.701 -0.615 184 HG12 ILE 27 HG12 ILE 27 10.027 0.870 0.887 185 HG13 ILE 27 HG13 ILE 27 9.257 2.374 1.361 186 HG21 ILE 27 HG21 ILE 27 8.640 4.056 -0.334 187 HG22 ILE 27 HG22 ILE 27 7.766 2.913 -1.348 188 HG23 ILE 27 HG23 ILE 27 9.088 3.847 -2.024 189 HD11 ILE 27 HD11 ILE 27 7.169 1.599 0.339 190 HD12 ILE 27 HD12 ILE 27 7.747 0.495 1.589 191 HD13 ILE 27 HD13 ILE 27 7.964 0.092 -0.114 192 H LEU 28 H LEU 28 9.296 2.377 -4.011 193 HA LEU 28 HA LEU 28 12.093 2.605 -4.828 194 HB2 LEU 28 HB2 LEU 28 9.559 2.795 -6.419 195 HB3 LEU 28 HB3 LEU 28 11.161 3.047 -7.104 196 HG LEU 28 HG LEU 28 10.078 0.477 -5.927 197 HD11 LEU 28 HD11 LEU 28 10.200 -0.355 -8.222 198 HD12 LEU 28 HD12 LEU 28 10.697 1.243 -8.773 199 HD13 LEU 28 HD13 LEU 28 9.092 1.009 -8.078 200 HD21 LEU 28 HD21 LEU 28 12.477 0.653 -5.526 201 HD22 LEU 28 HD22 LEU 28 12.746 1.054 -7.222 202 HD23 LEU 28 HD23 LEU 28 12.150 -0.545 -6.779 203 H ALA 29 H ALA 29 9.287 4.504 -3.973 204 HA ALA 29 HA ALA 29 10.811 6.838 -3.548 205 HB1 ALA 29 HB1 ALA 29 10.697 7.042 -6.005 206 HB2 ALA 29 HB2 ALA 29 9.756 8.312 -5.224 207 HB3 ALA 29 HB3 ALA 29 8.939 6.921 -5.935 208 H ASP 30 H ASP 30 9.079 8.763 -3.250 209 HA ASP 30 HA ASP 30 6.623 7.714 -2.055 210 HB2 ASP 30 HB2 ASP 30 6.964 9.024 -0.005 211 HB3 ASP 30 HB3 ASP 30 8.247 7.842 -0.206 212 H ARG 31 H ARG 31 5.071 9.434 -1.567 213 HA ARG 31 HA ARG 31 5.638 12.109 -2.124 214 HB2 ARG 31 HB2 ARG 31 5.309 10.976 -4.480 215 HB3 ARG 31 HB3 ARG 31 3.605 11.058 -4.069 216 HG2 ARG 31 HG2 ARG 31 4.314 12.964 -5.458 217 HG3 ARG 31 HG3 ARG 31 3.725 13.487 -3.885 218 HD2 ARG 31 HD2 ARG 31 6.679 13.062 -4.378 219 HD3 ARG 31 HD3 ARG 31 5.903 14.568 -4.843 220 HE ARG 31 HE ARG 31 5.432 14.986 -2.519 221 HH11 ARG 31 HH11 ARG 31 7.721 12.297 -3.020 222 HH12 ARG 31 HH12 ARG 31 8.319 12.334 -1.449 223 HH21 ARG 31 HH21 ARG 31 6.478 15.111 -0.312 224 HH22 ARG 31 HH22 ARG 31 7.700 13.977 0.023 225 H VAL 32 H VAL 32 3.418 13.402 -2.113 226 HA VAL 32 HA VAL 32 1.567 12.084 -0.268 227 HB VAL 32 HB VAL 32 2.674 14.895 0.116 228 HG11 VAL 32 HG11 VAL 32 1.521 14.858 2.277 229 HG12 VAL 32 HG12 VAL 32 0.862 13.270 1.888 230 HG13 VAL 32 HG13 VAL 32 0.403 14.672 0.924 231 HG21 VAL 32 HG21 VAL 32 4.416 13.277 0.665 232 HG22 VAL 32 HG22 VAL 32 3.303 12.418 1.730 233 HG23 VAL 32 HG23 VAL 32 3.815 14.056 2.129 234 H ASN 33 H ASN 33 -0.516 12.672 -0.639 235 HA ASN 33 HA ASN 33 -1.124 14.169 -3.059 236 HB2 ASN 33 HB2 ASN 33 -2.962 12.885 -1.017 237 HB3 ASN 33 HB3 ASN 33 -3.480 13.601 -2.535 238 HD21 ASN 33 HD21 ASN 33 -3.775 10.880 -1.512 239 HD22 ASN 33 HD22 ASN 33 -2.986 9.851 -2.615 240 H LYS 34 H LYS 34 -3.154 15.648 -2.789 241 HA LYS 34 HA LYS 34 -2.503 17.562 -0.682 242 HB2 LYS 34 HB2 LYS 34 -4.410 17.839 -3.023 243 HB3 LYS 34 HB3 LYS 34 -3.946 19.128 -1.915 244 HG2 LYS 34 HG2 LYS 34 -2.082 17.665 -3.786 245 HG3 LYS 34 HG3 LYS 34 -2.726 19.288 -4.029 246 HD2 LYS 34 HD2 LYS 34 -1.525 20.130 -2.132 247 HD3 LYS 34 HD3 LYS 34 -1.065 18.506 -1.624 248 HE2 LYS 34 HE2 LYS 34 -0.187 19.838 -4.179 249 HE3 LYS 34 HE3 LYS 34 0.780 19.719 -2.708 250 HZ1 LYS 34 HZ1 LYS 34 -0.205 17.430 -4.337 251 HZ2 LYS 34 HZ2 LYS 34 0.666 17.286 -2.904 252 HZ3 LYS 34 HZ3 LYS 34 1.390 17.991 -4.263 253 H ASN 35 H ASN 35 -4.669 15.154 -1.493 254 HA ASN 35 HA ASN 35 -6.928 15.887 0.029 255 HB2 ASN 35 HB2 ASN 35 -5.976 13.144 -0.798 256 HB3 ASN 35 HB3 ASN 35 -7.599 13.553 -0.257 257 HD21 ASN 35 HD21 ASN 35 -8.987 14.595 -1.675 258 HD22 ASN 35 HD22 ASN 35 -8.604 14.777 -3.349 259 H GLY 36 H GLY 36 -3.837 14.583 0.884 260 HA2 GLY 36 HA2 GLY 36 -3.174 14.785 3.188 261 HA3 GLY 36 HA3 GLY 36 -4.809 14.334 3.644 262 H ILE 37 H ILE 37 -3.276 12.542 1.072 263 HA ILE 37 HA ILE 37 -2.856 10.388 2.992 264 HB ILE 37 HB ILE 37 -3.547 10.052 0.036 265 HG12 ILE 37 HG12 ILE 37 -5.648 8.886 1.046 266 HG13 ILE 37 HG13 ILE 37 -5.255 9.838 2.471 267 HG21 ILE 37 HG21 ILE 37 -3.829 7.712 0.581 268 HG22 ILE 37 HG22 ILE 37 -3.314 8.046 2.243 269 HG23 ILE 37 HG23 ILE 37 -2.184 8.279 0.898 270 HD11 ILE 37 HD11 ILE 37 -5.860 10.916 -0.250 271 HD12 ILE 37 HD12 ILE 37 -5.507 11.874 1.191 272 HD13 ILE 37 HD13 ILE 37 -6.974 10.890 1.118 273 H ASN 38 H ASN 38 -0.894 9.420 2.966 274 HA ASN 38 HA ASN 38 1.190 10.529 1.247 275 HB2 ASN 38 HB2 ASN 38 1.284 8.516 3.530 276 HB3 ASN 38 HB3 ASN 38 2.696 9.110 2.670 277 HD21 ASN 38 HD21 ASN 38 1.869 9.256 5.548 278 HD22 ASN 38 HD22 ASN 38 1.917 10.946 5.903 279 H GLU 39 H GLU 39 2.326 9.173 -0.243 280 HA GLU 39 HA GLU 39 1.037 6.589 -0.905 281 HB2 GLU 39 HB2 GLU 39 1.778 8.721 -2.927 282 HB3 GLU 39 HB3 GLU 39 0.879 7.248 -3.212 283 HG2 GLU 39 HG2 GLU 39 -0.160 9.530 -1.546 284 HG3 GLU 39 HG3 GLU 39 -0.426 9.404 -3.275 285 H TYR 40 H TYR 40 2.554 5.175 -1.865 286 HA TYR 40 HA TYR 40 5.284 6.252 -2.268 287 HB2 TYR 40 HB2 TYR 40 4.679 3.629 -0.904 288 HB3 TYR 40 HB3 TYR 40 6.262 4.354 -1.156 289 HD1 TYR 40 HD2 TYR 40 6.951 6.288 0.168 290 HD2 TYR 40 HD1 TYR 40 3.245 4.352 0.838 291 HE1 TYR 40 HE2 TYR 40 6.747 7.445 2.325 292 HE2 TYR 40 HE1 TYR 40 3.025 5.491 2.991 293 HH TYR 40 HH TYR 40 4.287 6.604 4.616 294 H TYR 41 H TYR 41 6.493 5.191 -3.773 295 HA TYR 41 HA TYR 41 5.029 3.709 -5.777 296 HB2 TYR 41 HB2 TYR 41 6.797 5.580 -6.157 297 HB3 TYR 41 HB3 TYR 41 7.987 4.341 -5.804 298 HD1 TYR 41 HD1 TYR 41 4.842 4.105 -7.823 299 HD2 TYR 41 HD2 TYR 41 9.099 4.026 -7.844 300 HE1 TYR 41 HE1 TYR 41 4.822 3.526 -10.207 301 HE2 TYR 41 HE2 TYR 41 9.079 3.431 -10.215 302 HH TYR 41 HH TYR 41 7.516 2.355 -11.819 303 H ILE 42 H ILE 42 4.670 1.635 -5.179 304 HA ILE 42 HA ILE 42 6.674 0.230 -3.554 305 HB ILE 42 HB ILE 42 3.835 -0.603 -4.177 306 HG12 ILE 42 HG12 ILE 42 3.867 1.480 -2.879 307 HG13 ILE 42 HG13 ILE 42 3.259 0.131 -1.925 308 HG21 ILE 42 HG21 ILE 42 5.261 -2.481 -3.583 309 HG22 ILE 42 HG22 ILE 42 4.108 -2.154 -2.289 310 HG23 ILE 42 HG23 ILE 42 5.789 -1.638 -2.126 311 HD11 ILE 42 HD11 ILE 42 4.688 1.543 -0.602 312 HD12 ILE 42 HD12 ILE 42 5.993 1.360 -1.771 313 HD13 ILE 42 HD13 ILE 42 5.448 -0.031 -0.834 314 H LYS 43 H LYS 43 7.849 -1.438 -4.307 315 HA LYS 43 HA LYS 43 7.074 -2.545 -6.868 316 HB2 LYS 43 HB2 LYS 43 9.488 -1.769 -6.563 317 HB3 LYS 43 HB3 LYS 43 9.692 -3.104 -5.440 318 HG2 LYS 43 HG2 LYS 43 8.745 -3.574 -8.263 319 HG3 LYS 43 HG3 LYS 43 10.457 -3.441 -7.884 320 HD2 LYS 43 HD2 LYS 43 10.404 -5.392 -6.539 321 HD3 LYS 43 HD3 LYS 43 8.644 -5.385 -6.467 322 HE2 LYS 43 HE2 LYS 43 10.173 -5.777 -9.034 323 HE3 LYS 43 HE3 LYS 43 9.715 -7.117 -7.988 324 HZ1 LYS 43 HZ1 LYS 43 7.377 -6.449 -8.255 325 HZ2 LYS 43 HZ2 LYS 43 8.032 -6.808 -9.737 326 HZ3 LYS 43 HZ3 LYS 43 7.755 -5.243 -9.325 327 H TRP 44 H TRP 44 5.664 -4.048 -6.739 328 HA TRP 44 HA TRP 44 5.320 -5.629 -4.390 329 HB2 TRP 44 HB2 TRP 44 3.919 -5.751 -7.061 330 HB3 TRP 44 HB3 TRP 44 3.397 -6.522 -5.566 331 HD1 TRP 44 HD1 TRP 44 3.227 -3.271 -7.447 332 HE1 TRP 44 HE1 TRP 44 1.841 -1.583 -6.083 333 HE3 TRP 44 HE3 TRP 44 2.899 -5.854 -3.078 334 HZ2 TRP 44 HZ2 TRP 44 0.772 -1.382 -3.495 335 HZ3 TRP 44 HZ3 TRP 44 1.686 -4.857 -1.208 336 HH2 TRP 44 HH2 TRP 44 0.643 -2.663 -1.410 337 H ALA 45 H ALA 45 6.126 -7.539 -4.105 338 HA ALA 45 HA ALA 45 7.618 -8.798 -6.252 339 HB1 ALA 45 HB1 ALA 45 8.655 -8.684 -4.042 340 HB2 ALA 45 HB2 ALA 45 8.338 -10.362 -4.496 341 HB3 ALA 45 HB3 ALA 45 7.272 -9.536 -3.360 342 H GLY 46 H GLY 46 7.190 -11.080 -6.726 343 HA2 GLY 46 HA2 GLY 46 5.767 -12.935 -6.847 344 HA3 GLY 46 HA3 GLY 46 4.538 -12.015 -5.988 345 H TYR 47 H TYR 47 5.038 -9.720 -7.885 346 HA TYR 47 HA TYR 47 3.275 -10.774 -9.989 347 HB2 TYR 47 HB2 TYR 47 2.702 -8.613 -8.423 348 HB3 TYR 47 HB3 TYR 47 3.637 -7.868 -9.741 349 HD1 TYR 47 HD2 TYR 47 1.279 -10.491 -9.814 350 HD2 TYR 47 HD1 TYR 47 2.198 -6.707 -11.088 351 HE1 TYR 47 HE2 TYR 47 -0.755 -10.556 -11.300 352 HE2 TYR 47 HE1 TYR 47 0.260 -6.661 -12.579 353 HH TYR 47 HH TYR 47 -1.095 -8.493 -13.781 354 H ASP 48 H ASP 48 3.374 -9.279 -11.830 355 HA ASP 48 HA ASP 48 5.638 -9.705 -13.423 356 HB2 ASP 48 HB2 ASP 48 3.545 -7.553 -13.754 357 HB3 ASP 48 HB3 ASP 48 4.668 -8.093 -14.993 358 H TRP 49 H TRP 49 7.249 -8.385 -14.138 359 HA TRP 49 HA TRP 49 8.430 -6.532 -12.349 360 HB2 TRP 49 HB2 TRP 49 9.975 -6.002 -14.207 361 HB3 TRP 49 HB3 TRP 49 9.756 -7.735 -14.017 362 HD1 TRP 49 HD1 TRP 49 8.510 -9.038 -16.020 363 HE1 TRP 49 HE1 TRP 49 8.025 -8.382 -18.460 364 HE3 TRP 49 HE3 TRP 49 9.387 -4.045 -15.683 365 HZ2 TRP 49 HZ2 TRP 49 8.023 -6.041 -20.044 366 HZ3 TRP 49 HZ3 TRP 49 9.131 -2.640 -17.712 367 HH2 TRP 49 HH2 TRP 49 8.461 -3.630 -19.842 368 H TYR 50 H TYR 50 5.882 -6.115 -14.439 369 HA TYR 50 HA TYR 50 6.179 -3.234 -14.823 370 HB2 TYR 50 HB2 TYR 50 5.609 -4.873 -16.709 371 HB3 TYR 50 HB3 TYR 50 4.052 -5.088 -15.930 372 HD1 TYR 50 HD2 TYR 50 6.259 -2.472 -17.393 373 HD2 TYR 50 HD1 TYR 50 2.267 -3.662 -16.519 374 HE1 TYR 50 HE2 TYR 50 5.413 -0.559 -18.685 375 HE2 TYR 50 HE1 TYR 50 1.411 -1.747 -17.805 376 HH TYR 50 HH TYR 50 3.356 0.091 -19.883 377 H ASP 51 H ASP 51 5.492 -4.637 -12.199 378 HA ASP 51 HA ASP 51 2.665 -4.289 -11.712 379 HB2 ASP 51 HB2 ASP 51 3.210 -5.258 -9.613 380 HB3 ASP 51 HB3 ASP 51 4.093 -6.124 -10.882 381 H ASN 52 H ASN 52 5.607 -2.458 -11.132 382 HA ASN 52 HA ASN 52 4.989 -1.366 -8.668 383 HB2 ASN 52 HB2 ASN 52 6.541 0.550 -9.250 384 HB3 ASN 52 HB3 ASN 52 7.219 -1.062 -9.351 385 HD21 ASN 52 HD21 ASN 52 5.145 0.201 -11.907 386 HD22 ASN 52 HD22 ASN 52 6.412 0.383 -13.064 387 H THR 53 H THR 53 3.883 0.211 -7.874 388 HA THR 53 HA THR 53 2.739 2.239 -9.520 389 HB THR 53 HB THR 53 1.080 0.436 -9.856 390 HG1 THR 53 HG1 THR 53 -0.431 1.910 -8.110 391 HG21 THR 53 HG21 THR 53 0.807 0.418 -6.839 392 HG22 THR 53 HG22 THR 53 1.481 -0.877 -7.829 393 HG23 THR 53 HG23 THR 53 -0.227 -0.463 -7.965 394 H TRP 54 H TRP 54 1.283 3.567 -7.998 395 HA TRP 54 HA TRP 54 2.735 3.960 -5.523 396 HB2 TRP 54 HB2 TRP 54 0.503 5.599 -6.764 397 HB3 TRP 54 HB3 TRP 54 1.421 6.039 -5.326 398 HD1 TRP 54 HD1 TRP 54 1.724 5.811 -9.119 399 HE1 TRP 54 HE1 TRP 54 3.775 7.114 -9.879 400 HE3 TRP 54 HE3 TRP 54 3.762 6.885 -4.526 401 HZ2 TRP 54 HZ2 TRP 54 5.977 8.461 -8.707 402 HZ3 TRP 54 HZ3 TRP 54 5.828 8.191 -4.453 403 HH2 TRP 54 HH2 TRP 54 6.919 8.959 -6.495 404 H GLU 55 H GLU 55 1.839 3.672 -3.573 405 HA GLU 55 HA GLU 55 -0.836 2.424 -3.363 406 HB2 GLU 55 HB2 GLU 55 0.940 0.741 -3.320 407 HB3 GLU 55 HB3 GLU 55 1.863 1.723 -2.206 408 HG2 GLU 55 HG2 GLU 55 1.025 0.015 -0.903 409 HG3 GLU 55 HG3 GLU 55 -0.048 1.368 -0.574 410 HA PRO 56 HA PRO 56 -0.761 5.568 -0.119 411 HB2 PRO 56 HB2 PRO 56 -2.904 4.844 1.347 412 HB3 PRO 56 HB3 PRO 56 -3.075 5.568 -0.266 413 HG2 PRO 56 HG2 PRO 56 -3.332 2.734 0.542 414 HG3 PRO 56 HG3 PRO 56 -4.248 3.658 -0.663 415 HD2 PRO 56 HD2 PRO 56 -2.206 1.937 -1.285 416 HD3 PRO 56 HD3 PRO 56 -2.726 3.292 -2.301 417 H GLU 57 H GLU 57 -0.314 5.838 2.026 418 HA GLU 57 HA GLU 57 1.298 3.932 3.303 419 HB2 GLU 57 HB2 GLU 57 1.480 6.374 3.698 420 HB3 GLU 57 HB3 GLU 57 -0.067 6.338 4.504 421 HG2 GLU 57 HG2 GLU 57 0.745 5.326 6.385 422 HG3 GLU 57 HG3 GLU 57 2.104 4.601 5.527 423 H GLN 58 H GLN 58 -2.045 4.530 3.507 424 HA GLN 58 HA GLN 58 -2.780 3.234 5.888 425 HB2 GLN 58 HB2 GLN 58 -4.296 3.393 3.286 426 HB3 GLN 58 HB3 GLN 58 -4.988 2.961 4.840 427 HG2 GLN 58 HG2 GLN 58 -4.520 5.178 5.695 428 HG3 GLN 58 HG3 GLN 58 -3.731 5.614 4.178 429 HE21 GLN 58 HE21 GLN 58 -5.188 7.300 3.793 430 HE22 GLN 58 HE22 GLN 58 -6.819 6.982 3.323 431 H ASN 59 H ASN 59 -1.916 1.957 2.738 432 HA ASN 59 HA ASN 59 -2.923 -0.676 3.380 433 HB2 ASN 59 HB2 ASN 59 -1.710 0.506 0.909 434 HB3 ASN 59 HB3 ASN 59 -1.954 -1.219 1.081 435 HD21 ASN 59 HD21 ASN 59 -4.273 1.139 2.333 436 HD22 ASN 59 HD22 ASN 59 -5.451 0.750 1.087 437 H LEU 60 H LEU 60 -0.154 0.967 4.109 438 HA LEU 60 HA LEU 60 1.745 -1.178 3.562 439 HB2 LEU 60 HB2 LEU 60 1.977 1.679 4.291 440 HB3 LEU 60 HB3 LEU 60 3.235 0.614 4.877 441 HG LEU 60 HG LEU 60 3.702 -0.076 2.574 442 HD11 LEU 60 HD11 LEU 60 2.821 1.215 0.695 443 HD12 LEU 60 HD12 LEU 60 1.741 2.069 1.797 444 HD13 LEU 60 HD13 LEU 60 1.550 0.335 1.543 445 HD21 LEU 60 HD21 LEU 60 4.786 2.000 1.864 446 HD22 LEU 60 HD22 LEU 60 5.022 1.659 3.577 447 HD23 LEU 60 HD23 LEU 60 3.854 2.882 3.073 448 H PHE 61 H PHE 61 -0.387 -1.297 5.656 449 HA PHE 61 HA PHE 61 0.563 -1.146 8.249 450 HB2 PHE 61 HB2 PHE 61 -1.240 -2.619 8.894 451 HB3 PHE 61 HB3 PHE 61 -1.800 -1.647 7.541 452 HD1 PHE 61 HD1 PHE 61 -1.791 -2.725 5.212 453 HD2 PHE 61 HD2 PHE 61 -1.359 -4.950 8.817 454 HE1 PHE 61 HE1 PHE 61 -2.432 -4.781 4.024 455 HE2 PHE 61 HE2 PHE 61 -2.001 -7.003 7.631 456 HZ PHE 61 HZ PHE 61 -2.541 -6.920 5.232 457 H GLY 62 H GLY 62 1.215 -3.690 5.890 458 HA2 GLY 62 HA2 GLY 62 2.550 -5.327 7.909 459 HA3 GLY 62 HA3 GLY 62 2.256 -5.782 6.236 460 H ALA 63 H ALA 63 3.292 -3.025 5.503 461 HA ALA 63 HA ALA 63 6.116 -3.833 5.405 462 HB1 ALA 63 HB1 ALA 63 6.263 -2.345 3.461 463 HB2 ALA 63 HB2 ALA 63 4.572 -1.894 3.682 464 HB3 ALA 63 HB3 ALA 63 4.992 -3.549 3.245 465 H GLU 64 H GLU 64 4.850 -2.571 7.667 466 HA GLU 64 HA GLU 64 5.278 0.208 7.799 467 HB2 GLU 64 HB2 GLU 64 3.880 -1.436 9.266 468 HB3 GLU 64 HB3 GLU 64 5.366 -1.653 10.164 469 HG2 GLU 64 HG2 GLU 64 3.918 0.962 9.779 470 HG3 GLU 64 HG3 GLU 64 3.823 -0.056 11.207 471 H LYS 65 H LYS 65 7.261 -2.549 8.633 472 HA LYS 65 HA LYS 65 9.399 -1.213 9.836 473 HB2 LYS 65 HB2 LYS 65 9.186 -3.661 9.943 474 HB3 LYS 65 HB3 LYS 65 9.521 -3.773 8.221 475 HG2 LYS 65 HG2 LYS 65 11.505 -4.346 9.481 476 HG3 LYS 65 HG3 LYS 65 11.764 -2.833 8.611 477 HD2 LYS 65 HD2 LYS 65 11.165 -1.615 10.734 478 HD3 LYS 65 HD3 LYS 65 11.163 -3.179 11.553 479 HE2 LYS 65 HE2 LYS 65 13.285 -2.082 11.895 480 HE3 LYS 65 HE3 LYS 65 13.516 -3.488 10.854 481 HZ1 LYS 65 HZ1 LYS 65 14.727 -1.553 10.031 482 HZ2 LYS 65 HZ2 LYS 65 13.282 -0.676 9.914 483 HZ3 LYS 65 HZ3 LYS 65 13.528 -2.020 8.931 484 H VAL 66 H VAL 66 8.920 -2.101 6.458 485 HA VAL 66 HA VAL 66 11.293 -0.893 5.550 486 HB VAL 66 HB VAL 66 8.852 -1.886 4.049 487 HG11 VAL 66 HG11 VAL 66 10.153 -1.673 1.998 488 HG12 VAL 66 HG12 VAL 66 11.493 -0.966 2.898 489 HG13 VAL 66 HG13 VAL 66 9.969 -0.086 2.752 490 HG21 VAL 66 HG21 VAL 66 10.203 -3.550 5.164 491 HG22 VAL 66 HG22 VAL 66 11.650 -2.923 4.372 492 HG23 VAL 66 HG23 VAL 66 10.373 -3.671 3.413 493 H LEU 67 H LEU 67 8.015 0.204 5.946 494 HA LEU 67 HA LEU 67 8.052 2.628 4.598 495 HB2 LEU 67 HB2 LEU 67 6.078 1.514 5.583 496 HB3 LEU 67 HB3 LEU 67 6.700 1.811 7.177 497 HG LEU 67 HG LEU 67 5.893 4.082 5.354 498 HD11 LEU 67 HD11 LEU 67 3.725 3.995 6.514 499 HD12 LEU 67 HD12 LEU 67 4.211 2.485 7.290 500 HD13 LEU 67 HD13 LEU 67 4.011 2.553 5.538 501 HD21 LEU 67 HD21 LEU 67 5.567 5.254 7.472 502 HD22 LEU 67 HD22 LEU 67 7.216 4.633 7.378 503 HD23 LEU 67 HD23 LEU 67 6.015 3.800 8.367 504 H LYS 68 H LYS 68 8.906 1.943 8.011 505 HA LYS 68 HA LYS 68 9.965 4.463 8.581 506 HB2 LYS 68 HB2 LYS 68 10.504 1.755 9.747 507 HB3 LYS 68 HB3 LYS 68 11.337 3.189 10.320 508 HG2 LYS 68 HG2 LYS 68 9.199 4.192 10.925 509 HG3 LYS 68 HG3 LYS 68 8.359 2.749 10.344 510 HD2 LYS 68 HD2 LYS 68 9.353 1.395 11.965 511 HD3 LYS 68 HD3 LYS 68 10.511 2.641 12.438 512 HE2 LYS 68 HE2 LYS 68 8.767 2.476 14.125 513 HE3 LYS 68 HE3 LYS 68 8.628 4.014 13.285 514 HZ1 LYS 68 HZ1 LYS 68 6.825 3.019 11.939 515 HZ2 LYS 68 HZ2 LYS 68 6.420 2.901 13.564 516 HZ3 LYS 68 HZ3 LYS 68 7.007 1.600 12.706 517 H LYS 69 H LYS 69 11.471 1.607 7.238 518 HA LYS 69 HA LYS 69 14.147 2.438 7.234 519 HB2 LYS 69 HB2 LYS 69 13.762 0.138 6.765 520 HB3 LYS 69 HB3 LYS 69 12.576 0.526 5.542 521 HG2 LYS 69 HG2 LYS 69 15.457 1.192 5.029 522 HG3 LYS 69 HG3 LYS 69 14.912 -0.477 4.875 523 HD2 LYS 69 HD2 LYS 69 13.154 0.293 3.276 524 HD3 LYS 69 HD3 LYS 69 13.803 1.923 3.389 525 HE2 LYS 69 HE2 LYS 69 15.924 1.142 2.450 526 HE3 LYS 69 HE3 LYS 69 15.295 -0.504 2.382 527 HZ1 LYS 69 HZ1 LYS 69 15.072 0.478 0.212 528 HZ2 LYS 69 HZ2 LYS 69 14.197 1.802 0.790 529 HZ3 LYS 69 HZ3 LYS 69 13.587 0.252 0.852 530 H TRP 70 H TRP 70 11.672 2.859 4.762 531 HA TRP 70 HA TRP 70 13.344 4.214 2.976 532 HB2 TRP 70 HB2 TRP 70 11.317 3.207 2.139 533 HB3 TRP 70 HB3 TRP 70 10.325 4.220 3.193 534 HD1 TRP 70 HD1 TRP 70 9.743 6.612 2.368 535 HE1 TRP 70 HE1 TRP 70 10.294 7.983 0.296 536 HE3 TRP 70 HE3 TRP 70 13.188 3.486 0.249 537 HZ2 TRP 70 HZ2 TRP 70 11.944 7.765 -1.983 538 HZ3 TRP 70 HZ3 TRP 70 14.203 4.146 -1.894 539 HH2 TRP 70 HH2 TRP 70 13.592 6.240 -2.986 540 H LYS 71 H LYS 71 10.808 5.499 5.092 541 HA LYS 71 HA LYS 71 11.578 8.102 4.455 542 HB2 LYS 71 HB2 LYS 71 9.661 7.202 6.591 543 HB3 LYS 71 HB3 LYS 71 10.044 8.904 6.250 544 HG2 LYS 71 HG2 LYS 71 9.347 8.525 3.906 545 HG3 LYS 71 HG3 LYS 71 8.806 6.919 4.378 546 HD2 LYS 71 HD2 LYS 71 7.781 9.494 5.581 547 HD3 LYS 71 HD3 LYS 71 6.987 8.624 4.275 548 HE2 LYS 71 HE2 LYS 71 6.845 6.643 5.815 549 HE3 LYS 71 HE3 LYS 71 7.429 7.693 7.111 550 HZ1 LYS 71 HZ1 LYS 71 4.918 7.462 6.927 551 HZ2 LYS 71 HZ2 LYS 71 5.019 8.169 5.475 552 HZ3 LYS 71 HZ3 LYS 71 5.425 9.084 6.846 553 H LYS 72 H LYS 72 12.935 6.065 6.774 554 HA LYS 72 HA LYS 72 14.167 8.306 8.035 555 HB2 LYS 72 HB2 LYS 72 14.638 5.365 8.365 556 HB3 LYS 72 HB3 LYS 72 15.700 6.553 9.104 557 HG2 LYS 72 HG2 LYS 72 12.734 6.603 9.564 558 HG3 LYS 72 HG3 LYS 72 13.792 5.570 10.514 559 HD2 LYS 72 HD2 LYS 72 13.377 7.644 11.739 560 HD3 LYS 72 HD3 LYS 72 15.058 7.551 11.226 561 HE2 LYS 72 HE2 LYS 72 13.983 9.808 11.036 562 HE3 LYS 72 HE3 LYS 72 14.748 9.246 9.566 563 HZ1 LYS 72 HZ1 LYS 72 12.508 8.599 8.764 564 HZ2 LYS 72 HZ2 LYS 72 12.619 10.229 9.072 565 HZ3 LYS 72 HZ3 LYS 72 11.820 9.222 10.183 566 H ARG 73 H ARG 73 15.079 6.094 5.464 567 HA ARG 73 HA ARG 73 17.627 7.413 5.322 568 HB2 ARG 73 HB2 ARG 73 16.434 5.314 3.526 569 HB3 ARG 73 HB3 ARG 73 18.023 6.023 3.273 570 HG2 ARG 73 HG2 ARG 73 17.173 4.487 5.740 571 HG3 ARG 73 HG3 ARG 73 18.143 3.839 4.423 572 HD2 ARG 73 HD2 ARG 73 19.589 4.451 6.296 573 HD3 ARG 73 HD3 ARG 73 19.910 5.513 4.932 574 HE ARG 73 HE ARG 73 18.010 6.515 6.863 575 HH11 ARG 73 HH11 ARG 73 21.449 6.382 6.082 576 HH12 ARG 73 HH12 ARG 73 21.830 7.905 6.739 577 HH21 ARG 73 HH21 ARG 73 18.462 8.618 7.699 578 HH22 ARG 73 HH22 ARG 73 20.048 9.242 7.720 579 H LYS 74 H LYS 74 14.567 7.873 3.897 580 HA LYS 74 HA LYS 74 15.631 10.225 2.467 581 HB2 LYS 74 HB2 LYS 74 14.762 8.034 1.150 582 HB3 LYS 74 HB3 LYS 74 13.239 8.879 1.407 583 HG2 LYS 74 HG2 LYS 74 15.210 10.760 0.556 584 HG3 LYS 74 HG3 LYS 74 15.221 9.386 -0.529 585 HD2 LYS 74 HD2 LYS 74 13.791 10.994 -1.413 586 HD3 LYS 74 HD3 LYS 74 12.784 9.674 -0.780 587 HE2 LYS 74 HE2 LYS 74 13.291 12.139 0.865 588 HE3 LYS 74 HE3 LYS 74 12.100 12.205 -0.422 589 HZ1 LYS 74 HZ1 LYS 74 10.845 10.491 0.648 590 HZ2 LYS 74 HZ2 LYS 74 11.204 11.736 1.780 591 HZ3 LYS 74 HZ3 LYS 74 12.009 10.290 1.875 592 H LYS 75 H LYS 75 14.959 11.737 3.851 593 HA LYS 75 HA LYS 75 12.259 11.497 4.903 594 HB2 LYS 75 HB2 LYS 75 12.873 13.489 6.310 595 HB3 LYS 75 HB3 LYS 75 13.814 12.046 6.629 596 HG2 LYS 75 HG2 LYS 75 15.756 12.938 5.753 597 HG3 LYS 75 HG3 LYS 75 14.890 14.060 4.707 598 HD2 LYS 75 HD2 LYS 75 15.118 14.274 7.714 599 HD3 LYS 75 HD3 LYS 75 16.044 15.220 6.547 600 HE2 LYS 75 HE2 LYS 75 13.048 15.315 7.029 601 HE3 LYS 75 HE3 LYS 75 14.228 16.582 7.304 602 HZ1 LYS 75 HZ1 LYS 75 14.590 16.716 4.877 603 HZ2 LYS 75 HZ2 LYS 75 12.948 16.944 5.248 604 HZ3 LYS 75 HZ3 LYS 75 13.461 15.487 4.644 605 H1 ALA 1 H1 ALA 1 16.636 -8.485 2.952 606 H2 ALA 1 H2 ALA 1 15.795 -6.990 2.926 607 H3 ALA 1 H3 ALA 1 14.978 -8.467 2.765 608 HA ALA 1 HA ALA 1 16.422 -7.779 5.203 609 HB1 ALA 1 HB1 ALA 1 14.479 -6.296 4.908 610 HB2 ALA 1 HB2 ALA 1 14.181 -7.475 6.185 611 HB3 ALA 1 HB3 ALA 1 13.455 -7.698 4.594 612 H ARG 2 H ARG 2 15.664 -9.388 6.955 613 HA ARG 2 HA ARG 2 15.656 -12.062 5.812 614 HB2 ARG 2 HB2 ARG 2 15.676 -11.056 8.666 615 HB3 ARG 2 HB3 ARG 2 15.617 -12.758 8.255 616 HG2 ARG 2 HG2 ARG 2 17.840 -10.872 7.487 617 HG3 ARG 2 HG3 ARG 2 17.873 -11.977 8.861 618 HD2 ARG 2 HD2 ARG 2 17.581 -13.875 7.298 619 HD3 ARG 2 HD3 ARG 2 17.642 -12.745 5.947 620 HE ARG 2 HE ARG 2 19.903 -12.351 7.506 621 HH11 ARG 2 HH11 ARG 2 18.550 -14.876 5.427 622 HH12 ARG 2 HH12 ARG 2 20.040 -15.541 4.961 623 HH21 ARG 2 HH21 ARG 2 22.015 -13.261 6.879 624 HH22 ARG 2 HH22 ARG 2 22.080 -14.583 5.821 625 H THR 3 H THR 3 13.365 -9.837 6.314 626 HA THR 3 HA THR 3 11.252 -11.772 6.783 627 HB THR 3 HB THR 3 10.025 -9.679 7.548 628 HG1 THR 3 HG1 THR 3 11.206 -8.005 6.922 629 HG21 THR 3 HG21 THR 3 10.876 -11.329 9.176 630 HG22 THR 3 HG22 THR 3 11.031 -9.690 9.811 631 HG23 THR 3 HG23 THR 3 12.445 -10.526 9.168 632 H LYS 4 H LYS 4 9.556 -11.592 5.241 633 HA LYS 4 HA LYS 4 9.994 -9.527 3.264 634 HB2 LYS 4 HB2 LYS 4 10.316 -11.706 2.207 635 HB3 LYS 4 HB3 LYS 4 8.756 -12.254 2.801 636 HG2 LYS 4 HG2 LYS 4 8.626 -11.665 0.438 637 HG3 LYS 4 HG3 LYS 4 7.617 -10.606 1.418 638 HD2 LYS 4 HD2 LYS 4 8.675 -9.225 -0.170 639 HD3 LYS 4 HD3 LYS 4 9.531 -8.916 1.338 640 HE2 LYS 4 HE2 LYS 4 11.265 -9.117 -0.202 641 HE3 LYS 4 HE3 LYS 4 11.173 -10.747 0.453 642 HZ1 LYS 4 HZ1 LYS 4 9.575 -11.113 -1.613 643 HZ2 LYS 4 HZ2 LYS 4 11.258 -11.101 -1.812 644 HZ3 LYS 4 HZ3 LYS 4 10.415 -9.770 -2.218 645 H GLN 5 H GLN 5 8.854 -8.026 3.857 646 HA GLN 5 HA GLN 5 6.316 -8.102 5.111 647 HB2 GLN 5 HB2 GLN 5 6.375 -5.670 4.794 648 HB3 GLN 5 HB3 GLN 5 7.839 -6.279 5.551 649 HG2 GLN 5 HG2 GLN 5 7.623 -5.635 2.607 650 HG3 GLN 5 HG3 GLN 5 8.181 -4.482 3.814 651 HE21 GLN 5 HE21 GLN 5 9.507 -5.755 1.462 652 HE22 GLN 5 HE22 GLN 5 10.963 -6.401 2.065 653 H THR 6 H THR 6 4.279 -7.422 4.219 654 HA THR 6 HA THR 6 4.187 -7.195 1.329 655 HB THR 6 HB THR 6 2.341 -8.746 1.155 656 HG1 THR 6 HG1 THR 6 1.272 -9.470 2.942 657 HG21 THR 6 HG21 THR 6 4.342 -10.089 2.982 658 HG22 THR 6 HG22 THR 6 4.633 -9.795 1.289 659 HG23 THR 6 HG23 THR 6 3.325 -10.883 1.780 660 H ALA 7 H ALA 7 1.920 -6.266 0.684 661 HA ALA 7 HA ALA 7 0.618 -4.762 2.791 662 HB1 ALA 7 HB1 ALA 7 0.755 -2.637 1.530 663 HB2 ALA 7 HB2 ALA 7 1.817 -3.413 0.352 664 HB3 ALA 7 HB3 ALA 7 2.353 -3.203 2.014 665 H ARG 8 H ARG 8 -1.267 -3.500 1.593 666 HA ARG 8 HA ARG 8 -2.917 -5.592 0.663 667 HB2 ARG 8 HB2 ARG 8 -3.534 -2.635 0.484 668 HB3 ARG 8 HB3 ARG 8 -4.689 -3.945 0.352 669 HG2 ARG 8 HG2 ARG 8 -4.122 -4.570 2.726 670 HG3 ARG 8 HG3 ARG 8 -3.136 -3.097 2.771 671 HD2 ARG 8 HD2 ARG 8 -5.277 -2.646 3.758 672 HD3 ARG 8 HD3 ARG 8 -5.102 -1.754 2.251 673 HE ARG 8 HE ARG 8 -6.464 -4.283 1.963 674 HH11 ARG 8 HH11 ARG 8 -6.954 -0.856 2.657 675 HH12 ARG 8 HH12 ARG 8 -8.623 -0.891 2.259 676 HH21 ARG 8 HH21 ARG 8 -8.550 -4.345 1.500 677 HH22 ARG 8 HH22 ARG 8 -9.622 -2.987 1.508 678 H M3L 9 H M3L 9 -1.900 -2.707 -1.192 679 HA M3L 9 HA M3L 9 -1.633 -2.275 -3.278 680 HB2 M3L 9 1HB M3L 9 -0.891 -4.535 -3.901 681 HB3 M3L 9 2HB M3L 9 -2.576 -4.988 -4.148 682 HG2 M3L 9 1HG M3L 9 -1.590 -2.592 -5.598 683 HG3 M3L 9 2HG M3L 9 -2.783 -3.790 -6.082 684 HD2 M3L 9 1HD M3L 9 -0.247 -3.592 -7.053 685 HD3 M3L 9 2HD M3L 9 -0.046 -4.851 -5.851 686 HE2 M3L 9 1HE M3L 9 -2.116 -4.741 -8.046 687 HE3 M3L 9 2HE M3L 9 -2.011 -6.018 -6.868 688 HM11 M3L 9 1HM1 M3L 9 -0.397 -7.734 -9.809 689 HM12 M3L 9 2HM1 M3L 9 -1.527 -7.919 -8.479 690 HM13 M3L 9 3HM1 M3L 9 -1.882 -6.818 -9.753 691 HM21 M3L 9 1HM2 M3L 9 1.163 -7.512 -7.996 692 HM22 M3L 9 2HM2 M3L 9 0.368 -6.959 -6.539 693 HM23 M3L 9 3HM2 M3L 9 1.526 -5.938 -7.323 694 HM31 M3L 9 3HM3 M3L 9 1.125 -5.454 -9.811 695 HM32 M3L 9 1HM3 M3L 9 -0.432 -4.723 -10.112 696 HM33 M3L 9 2HM3 M3L 9 0.583 -4.136 -8.837 697 H SER 10 H SER 10 -2.991 -0.730 -3.064 698 HA SER 10 HA SER 10 -5.781 -1.041 -3.116 699 HB2 SER 10 HB2 SER 10 -4.631 0.852 -2.014 700 HB3 SER 10 HB3 SER 10 -4.100 1.437 -3.588 701 HG SER 10 HG SER 10 -5.896 2.404 -3.724 702 H THR 11 H THR 11 -6.237 -2.181 -5.027 703 HA THR 11 HA THR 11 -6.217 -0.588 -7.464 704 HB THR 11 HB THR 11 -5.315 -3.493 -7.372 705 HG1 THR 11 HG1 THR 11 -3.962 -1.194 -7.006 706 HG21 THR 11 HG21 THR 11 -6.484 -2.882 -9.454 707 HG22 THR 11 HG22 THR 11 -4.767 -3.154 -9.748 708 HG23 THR 11 HG23 THR 11 -5.396 -1.510 -9.662 709 H GLY 12 H GLY 12 -8.248 -0.572 -8.228 710 HA2 GLY 12 HA2 GLY 12 -10.226 -1.512 -9.003 711 HA3 GLY 12 HA3 GLY 12 -9.856 -2.983 -8.103 712 H GLY 13 H GLY 13 -11.085 -3.332 -6.393 713 HA2 GLY 13 HA2 GLY 13 -11.904 -1.063 -4.780 714 HA3 GLY 13 HA3 GLY 13 -13.163 -2.091 -5.460 715 H LYS 14 H LYS 14 -11.516 -1.552 -2.759 716 HA LYS 14 HA LYS 14 -12.219 -4.128 -1.773 717 HB2 LYS 14 HB2 LYS 14 -10.006 -4.336 -0.480 718 HB3 LYS 14 HB3 LYS 14 -10.025 -4.808 -2.163 719 HG2 LYS 14 HG2 LYS 14 -9.154 -2.029 -1.474 720 HG3 LYS 14 HG3 LYS 14 -8.059 -3.361 -1.121 721 HD2 LYS 14 HD2 LYS 14 -9.262 -2.762 -3.832 722 HD3 LYS 14 HD3 LYS 14 -7.631 -2.321 -3.330 723 HE2 LYS 14 HE2 LYS 14 -8.700 -5.164 -3.557 724 HE3 LYS 14 HE3 LYS 14 -7.646 -4.362 -4.703 725 HZ1 LYS 14 HZ1 LYS 14 -6.921 -4.909 -1.863 726 HZ2 LYS 14 HZ2 LYS 14 -5.883 -4.301 -3.054 727 HZ3 LYS 14 HZ3 LYS 14 -6.496 -5.872 -3.174 728 H ALA 15 H ALA 15 -13.832 -2.987 -0.820 729 HA ALA 15 HA ALA 15 -13.144 -1.826 1.726 730 HB1 ALA 15 HB1 ALA 15 -13.233 0.129 0.240 731 HB2 ALA 15 HB2 ALA 15 -14.637 0.119 1.308 732 HB3 ALA 15 HB3 ALA 15 -14.802 -0.392 -0.372 733 HA PRO 16 HA PRO 16 -16.818 -4.210 2.548 734 HB2 PRO 16 HB2 PRO 16 -17.565 -3.238 4.941 735 HB3 PRO 16 HB3 PRO 16 -16.066 -4.175 4.767 736 HG2 PRO 16 HG2 PRO 16 -16.410 -1.233 4.966 737 HG3 PRO 16 HG3 PRO 16 -15.187 -2.281 5.713 738 HD2 PRO 16 HD2 PRO 16 -14.723 -0.813 3.458 739 HD3 PRO 16 HD3 PRO 16 -13.876 -2.320 3.849 740 H ARG 17 H ARG 17 -19.184 -3.858 3.226 741 HA ARG 17 HA ARG 17 -20.155 -1.627 1.677 742 HB2 ARG 17 HB2 ARG 17 -21.164 -3.760 1.157 743 HB3 ARG 17 HB3 ARG 17 -21.609 -4.000 2.834 744 HG2 ARG 17 HG2 ARG 17 -23.575 -3.401 1.536 745 HG3 ARG 17 HG3 ARG 17 -23.204 -2.121 2.680 746 HD2 ARG 17 HD2 ARG 17 -22.313 -2.016 -0.200 747 HD3 ARG 17 HD3 ARG 17 -23.899 -1.454 0.297 748 HE ARG 17 HE ARG 17 -22.567 0.103 1.844 749 HH11 ARG 17 HH11 ARG 17 -21.375 -0.927 -1.336 750 HH12 ARG 17 HH12 ARG 17 -20.483 0.502 -1.622 751 HH21 ARG 17 HH21 ARG 17 -21.358 2.036 1.470 752 HH22 ARG 17 HH22 ARG 17 -20.478 2.271 0.052 753 H TYR 18 H TYR 18 -19.816 0.067 2.922 754 HA TYR 18 HA TYR 18 -21.609 0.278 5.206 755 HB2 TYR 18 HB2 TYR 18 -19.189 0.862 5.655 756 HB3 TYR 18 HB3 TYR 18 -19.272 2.060 4.372 757 HD1 TYR 18 HD2 TYR 18 -20.717 1.162 7.678 758 HD2 TYR 18 HD1 TYR 18 -19.992 4.257 4.851 759 HE1 TYR 18 HE2 TYR 18 -21.474 2.830 9.319 760 HE2 TYR 18 HE1 TYR 18 -20.747 5.933 6.482 761 HH TYR 18 HH TYR 18 -22.171 6.032 8.468 Start of MODEL 7 1 H1 MET 1 H1 MET 1 11.835 -46.592 25.737 2 H2 MET 1 H2 MET 1 10.172 -46.162 25.793 3 H3 MET 1 H3 MET 1 11.291 -45.220 26.597 4 HA MET 1 HA MET 1 12.218 -44.449 24.592 5 HB2 MET 1 HB2 MET 1 10.190 -46.293 23.259 6 HB3 MET 1 HB3 MET 1 11.158 -45.096 22.418 7 HG2 MET 1 HG2 MET 1 12.127 -47.258 22.066 8 HG3 MET 1 HG3 MET 1 13.198 -46.323 23.103 9 HE1 MET 1 HE1 MET 1 10.795 -49.397 22.801 10 HE2 MET 1 HE2 MET 1 9.856 -48.384 23.899 11 HE3 MET 1 HE3 MET 1 10.575 -49.882 24.481 12 H VAL 2 H VAL 2 10.963 -42.808 23.151 13 HA VAL 2 HA VAL 2 8.278 -42.335 23.911 14 HB VAL 2 HB VAL 2 9.579 -41.382 25.847 15 HG11 VAL 2 HG11 VAL 2 10.959 -39.379 25.554 16 HG12 VAL 2 HG12 VAL 2 10.830 -39.567 23.806 17 HG13 VAL 2 HG13 VAL 2 11.642 -40.802 24.766 18 HG21 VAL 2 HG21 VAL 2 8.210 -39.309 24.128 19 HG22 VAL 2 HG22 VAL 2 8.556 -39.131 25.848 20 HG23 VAL 2 HG23 VAL 2 7.436 -40.378 25.297 21 H SER 3 H SER 3 7.411 -40.643 22.488 22 HA SER 3 HA SER 3 9.128 -39.499 20.528 23 HB2 SER 3 HB2 SER 3 8.584 -41.785 19.599 24 HB3 SER 3 HB3 SER 3 6.874 -41.386 19.728 25 HG SER 3 HG SER 3 8.578 -40.801 17.764 26 H VAL 4 H VAL 4 7.942 -37.768 19.472 27 HA VAL 4 HA VAL 4 5.257 -37.276 20.240 28 HB VAL 4 HB VAL 4 6.443 -36.499 22.271 29 HG11 VAL 4 HG11 VAL 4 7.933 -34.556 22.229 30 HG12 VAL 4 HG12 VAL 4 7.903 -34.588 20.466 31 HG13 VAL 4 HG13 VAL 4 8.600 -35.938 21.358 32 HG21 VAL 4 HG21 VAL 4 4.392 -35.351 21.658 33 HG22 VAL 4 HG22 VAL 4 5.294 -34.236 20.634 34 HG23 VAL 4 HG23 VAL 4 5.526 -34.210 22.383 35 H LYS 5 H LYS 5 4.304 -35.963 18.812 36 HA LYS 5 HA LYS 5 5.987 -34.838 16.667 37 HB2 LYS 5 HB2 LYS 5 3.045 -35.491 16.636 38 HB3 LYS 5 HB3 LYS 5 3.968 -34.890 15.270 39 HG2 LYS 5 HG2 LYS 5 5.269 -37.022 15.357 40 HG3 LYS 5 HG3 LYS 5 4.138 -37.586 16.584 41 HD2 LYS 5 HD2 LYS 5 3.443 -36.787 13.741 42 HD3 LYS 5 HD3 LYS 5 3.524 -38.429 14.356 43 HE2 LYS 5 HE2 LYS 5 1.219 -37.927 14.299 44 HE3 LYS 5 HE3 LYS 5 1.664 -37.724 15.987 45 HZ1 LYS 5 HZ1 LYS 5 0.210 -35.938 15.207 46 HZ2 LYS 5 HZ2 LYS 5 1.312 -35.511 14.010 47 HZ3 LYS 5 HZ3 LYS 5 1.706 -35.287 15.627 48 HA PRO 6 HA PRO 6 4.475 -30.791 17.939 49 HB2 PRO 6 HB2 PRO 6 3.904 -30.255 15.069 50 HB3 PRO 6 HB3 PRO 6 4.937 -29.343 16.189 51 HG2 PRO 6 HG2 PRO 6 6.033 -30.810 14.299 52 HG3 PRO 6 HG3 PRO 6 6.736 -30.744 15.928 53 HD2 PRO 6 HD2 PRO 6 5.104 -32.906 14.684 54 HD3 PRO 6 HD3 PRO 6 6.527 -33.020 15.740 55 H LEU 7 H LEU 7 2.522 -29.626 18.115 56 HA LEU 7 HA LEU 7 0.135 -31.099 17.359 57 HB2 LEU 7 HB2 LEU 7 0.684 -29.225 19.686 58 HB3 LEU 7 HB3 LEU 7 -0.907 -29.808 19.276 59 HG LEU 7 HG LEU 7 -0.007 -32.157 19.734 60 HD11 LEU 7 HD11 LEU 7 2.367 -31.693 19.651 61 HD12 LEU 7 HD12 LEU 7 1.906 -32.350 21.222 62 HD13 LEU 7 HD13 LEU 7 2.224 -30.624 21.046 63 HD21 LEU 7 HD21 LEU 7 -1.512 -31.016 21.249 64 HD22 LEU 7 HD22 LEU 7 -0.155 -30.177 21.999 65 HD23 LEU 7 HD23 LEU 7 -0.304 -31.928 22.152 66 HA PRO 8 HA PRO 8 -0.907 -27.308 15.239 67 HB2 PRO 8 HB2 PRO 8 -3.690 -27.321 16.149 68 HB3 PRO 8 HB3 PRO 8 -3.078 -27.617 14.511 69 HG2 PRO 8 HG2 PRO 8 -4.198 -29.562 16.002 70 HG3 PRO 8 HG3 PRO 8 -2.936 -29.865 14.792 71 HD2 PRO 8 HD2 PRO 8 -2.685 -29.716 17.761 72 HD3 PRO 8 HD3 PRO 8 -1.880 -30.802 16.607 73 H ASP 9 H ASP 9 0.418 -26.337 16.908 74 HA ASP 9 HA ASP 9 -0.854 -24.939 19.100 75 HB2 ASP 9 HB2 ASP 9 1.983 -24.742 18.011 76 HB3 ASP 9 HB3 ASP 9 1.422 -24.034 19.516 77 H ILE 10 H ILE 10 -0.400 -24.545 15.904 78 HA ILE 10 HA ILE 10 -0.430 -21.633 15.861 79 HB ILE 10 HB ILE 10 -0.494 -23.623 13.528 80 HG12 ILE 10 HG12 ILE 10 1.856 -22.689 13.043 81 HG13 ILE 10 HG13 ILE 10 1.818 -22.031 14.667 82 HG21 ILE 10 HG21 ILE 10 -1.546 -21.545 12.881 83 HG22 ILE 10 HG22 ILE 10 0.002 -21.727 12.054 84 HG23 ILE 10 HG23 ILE 10 -0.139 -20.633 13.431 85 HD11 ILE 10 HD11 ILE 10 3.074 -24.109 14.572 86 HD12 ILE 10 HD12 ILE 10 1.661 -24.952 13.931 87 HD13 ILE 10 HD13 ILE 10 1.631 -24.300 15.570 88 H ASP 11 H ASP 11 -2.282 -20.518 14.896 89 HA ASP 11 HA ASP 11 -4.746 -21.580 15.805 90 HB2 ASP 11 HB2 ASP 11 -4.167 -19.116 15.735 91 HB3 ASP 11 HB3 ASP 11 -4.335 -19.182 13.985 92 H SER 12 H SER 12 -6.706 -21.537 14.263 93 HA SER 12 HA SER 12 -6.041 -23.465 12.191 94 HB2 SER 12 HB2 SER 12 -8.723 -22.671 13.319 95 HB3 SER 12 HB3 SER 12 -8.391 -24.046 12.260 96 HG SER 12 HG SER 12 -6.789 -23.938 14.452 97 H ASN 13 H ASN 13 -6.872 -20.129 12.490 98 HA ASN 13 HA ASN 13 -8.068 -20.027 9.863 99 HB2 ASN 13 HB2 ASN 13 -8.902 -18.549 11.701 100 HB3 ASN 13 HB3 ASN 13 -7.345 -17.737 11.716 101 HD21 ASN 13 HD21 ASN 13 -6.798 -16.441 9.942 102 HD22 ASN 13 HD22 ASN 13 -8.000 -15.784 8.867 103 H GLU 14 H GLU 14 -6.157 -20.994 8.976 104 HA GLU 14 HA GLU 14 -4.058 -19.048 8.301 105 HB2 GLU 14 HB2 GLU 14 -4.142 -22.073 8.136 106 HB3 GLU 14 HB3 GLU 14 -2.875 -21.108 7.400 107 HG2 GLU 14 HG2 GLU 14 -3.505 -21.102 10.344 108 HG3 GLU 14 HG3 GLU 14 -2.273 -22.117 9.595 109 H GLY 15 H GLY 15 -3.598 -18.769 6.044 110 HA2 GLY 15 HA2 GLY 15 -5.031 -20.126 4.045 111 HA3 GLY 15 HA3 GLY 15 -5.867 -18.632 4.444 112 H GLU 16 H GLU 16 -5.411 -18.128 2.200 113 HA GLU 16 HA GLU 16 -2.646 -17.292 1.694 114 HB2 GLU 16 HB2 GLU 16 -4.004 -18.972 0.172 115 HB3 GLU 16 HB3 GLU 16 -4.887 -17.544 -0.328 116 HG2 GLU 16 HG2 GLU 16 -1.959 -18.125 -0.732 117 HG3 GLU 16 HG3 GLU 16 -3.214 -17.999 -1.962 118 H THR 17 H THR 17 -2.406 -15.069 1.837 119 HA THR 17 HA THR 17 -4.890 -13.490 1.766 120 HB THR 17 HB THR 17 -2.363 -12.688 3.216 121 HG1 THR 17 HG1 THR 17 -3.846 -14.717 3.712 122 HG21 THR 17 HG21 THR 17 -3.910 -11.265 4.490 123 HG22 THR 17 HG22 THR 17 -5.269 -11.882 3.551 124 HG23 THR 17 HG23 THR 17 -4.028 -10.904 2.769 125 H ASP 18 H ASP 18 -2.001 -14.051 0.107 126 HA ASP 18 HA ASP 18 -1.303 -11.448 -0.650 127 HB2 ASP 18 HB2 ASP 18 -0.485 -14.119 -1.762 128 HB3 ASP 18 HB3 ASP 18 -0.100 -12.659 -2.659 129 H ALA 19 H ALA 19 -3.560 -13.635 -1.958 130 HA ALA 19 HA ALA 19 -4.140 -12.573 -4.404 131 HB1 ALA 19 HB1 ALA 19 -6.206 -13.490 -2.417 132 HB2 ALA 19 HB2 ALA 19 -5.245 -14.547 -3.451 133 HB3 ALA 19 HB3 ALA 19 -6.393 -13.417 -4.169 134 H ASP 20 H ASP 20 -4.899 -11.060 -1.335 135 HA ASP 20 HA ASP 20 -5.952 -8.727 -2.832 136 HB2 ASP 20 HB2 ASP 20 -7.930 -9.724 -1.925 137 HB3 ASP 20 HB3 ASP 20 -7.141 -10.109 -0.414 138 H VAL 21 H VAL 21 -3.429 -9.720 -1.285 139 HA VAL 21 HA VAL 21 -2.705 -7.067 -0.329 140 HB VAL 21 HB VAL 21 -2.178 -9.547 1.343 141 HG11 VAL 21 HG11 VAL 21 -1.341 -8.029 3.053 142 HG12 VAL 21 HG12 VAL 21 -1.579 -6.674 1.940 143 HG13 VAL 21 HG13 VAL 21 -0.434 -7.960 1.544 144 HG21 VAL 21 HG21 VAL 21 -4.130 -7.336 1.986 145 HG22 VAL 21 HG22 VAL 21 -3.649 -8.638 3.085 146 HG23 VAL 21 HG23 VAL 21 -4.507 -9.018 1.591 147 H TYR 22 H TYR 22 -0.770 -6.766 -1.445 148 HA TYR 22 HA TYR 22 0.385 -9.313 -2.339 149 HB2 TYR 22 HB2 TYR 22 0.497 -6.633 -3.708 150 HB3 TYR 22 HB3 TYR 22 1.299 -8.093 -4.277 151 HD1 TYR 22 HD1 TYR 22 -1.920 -6.444 -3.770 152 HD2 TYR 22 HD2 TYR 22 0.044 -9.856 -5.340 153 HE1 TYR 22 HE1 TYR 22 -3.975 -7.062 -4.947 154 HE2 TYR 22 HE2 TYR 22 -2.007 -10.500 -6.524 155 HH TYR 22 HH TYR 22 -4.665 -9.888 -6.041 156 H GLU 23 H GLU 23 2.657 -9.300 -2.767 157 HA GLU 23 HA GLU 23 3.949 -8.590 -0.394 158 HB2 GLU 23 HB2 GLU 23 4.248 -10.668 -1.829 159 HB3 GLU 23 HB3 GLU 23 5.100 -9.509 -2.871 160 HG2 GLU 23 HG2 GLU 23 6.839 -9.215 -1.405 161 HG3 GLU 23 HG3 GLU 23 5.960 -9.887 -0.044 162 H VAL 24 H VAL 24 5.395 -7.140 0.004 163 HA VAL 24 HA VAL 24 5.927 -5.157 -2.030 164 HB VAL 24 HB VAL 24 6.118 -4.946 1.004 165 HG11 VAL 24 HG11 VAL 24 7.881 -3.601 -0.041 166 HG12 VAL 24 HG12 VAL 24 6.587 -2.564 0.597 167 HG13 VAL 24 HG13 VAL 24 6.684 -2.887 -1.129 168 HG21 VAL 24 HG21 VAL 24 4.346 -3.298 0.747 169 HG22 VAL 24 HG22 VAL 24 3.849 -4.880 0.142 170 HG23 VAL 24 HG23 VAL 24 4.313 -3.611 -0.985 171 H GLU 25 H GLU 25 7.671 -5.610 -3.027 172 HA GLU 25 HA GLU 25 9.844 -7.045 -1.913 173 HB2 GLU 25 HB2 GLU 25 9.289 -6.738 -4.389 174 HB3 GLU 25 HB3 GLU 25 9.915 -5.109 -4.235 175 HG2 GLU 25 HG2 GLU 25 12.109 -5.973 -3.687 176 HG3 GLU 25 HG3 GLU 25 11.491 -7.626 -3.758 177 H ASP 26 H ASP 26 9.406 -3.556 -2.753 178 HA ASP 26 HA ASP 26 10.149 -2.568 -0.276 179 HB2 ASP 26 HB2 ASP 26 12.469 -3.440 -1.285 180 HB3 ASP 26 HB3 ASP 26 12.387 -1.926 -2.186 181 H ILE 27 H ILE 27 10.980 -0.058 -0.776 182 HA ILE 27 HA ILE 27 8.730 0.925 -2.401 183 HB ILE 27 HB ILE 27 10.430 2.683 -0.513 184 HG12 ILE 27 HG12 ILE 27 9.546 0.791 0.842 185 HG13 ILE 27 HG13 ILE 27 8.785 2.319 1.248 186 HG21 ILE 27 HG21 ILE 27 7.645 2.957 -1.557 187 HG22 ILE 27 HG22 ILE 27 9.056 3.850 -2.105 188 HG23 ILE 27 HG23 ILE 27 8.461 4.065 -0.459 189 HD11 ILE 27 HD11 ILE 27 7.178 0.505 1.227 190 HD12 ILE 27 HD12 ILE 27 7.595 0.133 -0.445 191 HD13 ILE 27 HD13 ILE 27 6.815 1.666 -0.050 192 H LEU 28 H LEU 28 9.128 2.325 -4.119 193 HA LEU 28 HA LEU 28 11.942 2.438 -4.970 194 HB2 LEU 28 HB2 LEU 28 9.448 2.808 -6.634 195 HB3 LEU 28 HB3 LEU 28 11.089 2.831 -7.237 196 HG LEU 28 HG LEU 28 9.703 0.442 -6.020 197 HD11 LEU 28 HD11 LEU 28 8.811 1.020 -8.200 198 HD12 LEU 28 HD12 LEU 28 9.763 -0.461 -8.292 199 HD13 LEU 28 HD13 LEU 28 10.439 1.061 -8.874 200 HD21 LEU 28 HD21 LEU 28 12.106 0.399 -5.587 201 HD22 LEU 28 HD22 LEU 28 12.429 0.695 -7.295 202 HD23 LEU 28 HD23 LEU 28 11.671 -0.814 -6.792 203 H ALA 29 H ALA 29 9.243 4.447 -4.152 204 HA ALA 29 HA ALA 29 10.775 6.764 -3.813 205 HB1 ALA 29 HB1 ALA 29 10.716 6.892 -6.283 206 HB2 ALA 29 HB2 ALA 29 9.749 8.181 -5.567 207 HB3 ALA 29 HB3 ALA 29 8.957 6.760 -6.247 208 H ASP 30 H ASP 30 9.000 8.696 -3.583 209 HA ASP 30 HA ASP 30 6.568 7.557 -2.466 210 HB2 ASP 30 HB2 ASP 30 6.812 8.739 -0.405 211 HB3 ASP 30 HB3 ASP 30 8.300 7.835 -0.661 212 H ARG 31 H ARG 31 5.150 9.448 -1.746 213 HA ARG 31 HA ARG 31 5.479 11.936 -3.082 214 HB2 ARG 31 HB2 ARG 31 4.716 10.414 -4.931 215 HB3 ARG 31 HB3 ARG 31 3.300 10.020 -3.975 216 HG2 ARG 31 HG2 ARG 31 2.721 11.617 -5.683 217 HG3 ARG 31 HG3 ARG 31 2.598 12.379 -4.096 218 HD2 ARG 31 HD2 ARG 31 4.857 13.349 -4.438 219 HD3 ARG 31 HD3 ARG 31 4.869 12.662 -6.062 220 HE ARG 31 HE ARG 31 2.599 14.288 -5.480 221 HH11 ARG 31 HH11 ARG 31 5.931 14.317 -6.654 222 HH12 ARG 31 HH12 ARG 31 5.824 15.784 -7.502 223 HH21 ARG 31 HH21 ARG 31 2.393 16.359 -6.651 224 HH22 ARG 31 HH22 ARG 31 3.719 16.995 -7.495 225 H VAL 32 H VAL 32 3.663 13.336 -2.448 226 HA VAL 32 HA VAL 32 1.927 12.326 -0.349 227 HB VAL 32 HB VAL 32 3.407 14.984 -0.186 228 HG11 VAL 32 HG11 VAL 32 1.740 13.544 1.865 229 HG12 VAL 32 HG12 VAL 32 1.279 14.986 0.960 230 HG13 VAL 32 HG13 VAL 32 2.601 15.061 2.126 231 HG21 VAL 32 HG21 VAL 32 4.761 14.046 1.645 232 HG22 VAL 32 HG22 VAL 32 5.050 13.201 0.124 233 HG23 VAL 32 HG23 VAL 32 4.034 12.463 1.363 234 H ASN 33 H ASN 33 -0.074 13.240 -0.522 235 HA ASN 33 HA ASN 33 -0.642 14.903 -2.873 236 HB2 ASN 33 HB2 ASN 33 -2.489 13.904 -0.675 237 HB3 ASN 33 HB3 ASN 33 -3.012 14.801 -2.083 238 HD21 ASN 33 HD21 ASN 33 -1.907 11.760 -0.854 239 HD22 ASN 33 HD22 ASN 33 -2.366 10.812 -2.201 240 H LYS 34 H LYS 34 -2.249 16.814 -2.348 241 HA LYS 34 HA LYS 34 -0.981 18.404 -0.272 242 HB2 LYS 34 HB2 LYS 34 -1.520 19.393 -2.525 243 HB3 LYS 34 HB3 LYS 34 -3.229 19.193 -2.161 244 HG2 LYS 34 HG2 LYS 34 -2.967 20.700 -0.229 245 HG3 LYS 34 HG3 LYS 34 -1.277 20.933 -0.663 246 HD2 LYS 34 HD2 LYS 34 -1.969 21.877 -2.818 247 HD3 LYS 34 HD3 LYS 34 -3.661 21.650 -2.370 248 HE2 LYS 34 HE2 LYS 34 -1.656 23.399 -0.940 249 HE3 LYS 34 HE3 LYS 34 -2.966 23.957 -1.980 250 HZ1 LYS 34 HZ1 LYS 34 -3.545 24.139 0.363 251 HZ2 LYS 34 HZ2 LYS 34 -3.304 22.482 0.584 252 HZ3 LYS 34 HZ3 LYS 34 -4.559 23.027 -0.408 253 H ASN 35 H ASN 35 -3.682 16.451 -0.753 254 HA ASN 35 HA ASN 35 -5.449 17.525 1.165 255 HB2 ASN 35 HB2 ASN 35 -6.086 16.029 -0.749 256 HB3 ASN 35 HB3 ASN 35 -5.332 14.700 0.105 257 HD21 ASN 35 HD21 ASN 35 -7.171 17.191 1.757 258 HD22 ASN 35 HD22 ASN 35 -8.481 16.148 2.184 259 H GLY 36 H GLY 36 -2.581 15.603 1.445 260 HA2 GLY 36 HA2 GLY 36 -1.572 15.469 3.633 261 HA3 GLY 36 HA3 GLY 36 -3.181 15.290 4.310 262 H ILE 37 H ILE 37 -2.419 13.467 1.475 263 HA ILE 37 HA ILE 37 -2.177 11.068 3.163 264 HB ILE 37 HB ILE 37 -3.254 11.311 0.321 265 HG12 ILE 37 HG12 ILE 37 -5.308 10.181 1.508 266 HG13 ILE 37 HG13 ILE 37 -4.514 10.841 2.941 267 HG21 ILE 37 HG21 ILE 37 -2.933 8.834 1.972 268 HG22 ILE 37 HG22 ILE 37 -2.036 9.271 0.509 269 HG23 ILE 37 HG23 ILE 37 -3.776 8.951 0.422 270 HD11 ILE 37 HD11 ILE 37 -4.695 13.063 2.069 271 HD12 ILE 37 HD12 ILE 37 -6.284 12.288 2.121 272 HD13 ILE 37 HD13 ILE 37 -5.418 12.435 0.586 273 H ASN 38 H ASN 38 -0.373 9.858 2.942 274 HA ASN 38 HA ASN 38 1.633 10.694 0.989 275 HB2 ASN 38 HB2 ASN 38 1.887 8.648 3.227 276 HB3 ASN 38 HB3 ASN 38 3.200 9.279 2.249 277 HD21 ASN 38 HD21 ASN 38 1.378 9.633 5.103 278 HD22 ASN 38 HD22 ASN 38 1.977 11.178 5.566 279 H GLU 39 H GLU 39 2.473 9.228 -0.538 280 HA GLU 39 HA GLU 39 1.137 6.645 -0.858 281 HB2 GLU 39 HB2 GLU 39 1.359 8.772 -3.016 282 HB3 GLU 39 HB3 GLU 39 0.721 7.144 -3.243 283 HG2 GLU 39 HG2 GLU 39 -1.122 7.602 -1.786 284 HG3 GLU 39 HG3 GLU 39 -0.445 9.164 -1.357 285 H TYR 40 H TYR 40 2.449 5.180 -2.139 286 HA TYR 40 HA TYR 40 5.199 6.177 -2.541 287 HB2 TYR 40 HB2 TYR 40 4.609 3.569 -1.154 288 HB3 TYR 40 HB3 TYR 40 6.172 4.345 -1.382 289 HD1 TYR 40 HD1 TYR 40 6.796 6.268 -0.048 290 HD2 TYR 40 HD2 TYR 40 3.113 4.260 0.504 291 HE1 TYR 40 HE1 TYR 40 6.482 7.453 2.076 292 HE2 TYR 40 HE2 TYR 40 2.787 5.421 2.633 293 HH TYR 40 HH TYR 40 4.038 6.609 4.321 294 H TYR 41 H TYR 41 6.399 5.042 -3.976 295 HA TYR 41 HA TYR 41 4.938 3.526 -5.949 296 HB2 TYR 41 HB2 TYR 41 6.882 5.197 -6.361 297 HB3 TYR 41 HB3 TYR 41 7.938 3.910 -5.806 298 HD1 TYR 41 HD2 TYR 41 5.833 1.855 -7.279 299 HD2 TYR 41 HD1 TYR 41 8.230 5.161 -8.451 300 HE1 TYR 41 HE2 TYR 41 5.861 1.011 -9.575 301 HE2 TYR 41 HE1 TYR 41 8.263 4.321 -10.761 302 HH TYR 41 HH TYR 41 6.201 1.821 -11.823 303 H ILE 42 H ILE 42 4.401 1.537 -5.213 304 HA ILE 42 HA ILE 42 6.225 0.127 -3.435 305 HB ILE 42 HB ILE 42 3.455 -0.685 -4.325 306 HG12 ILE 42 HG12 ILE 42 3.276 1.465 -3.157 307 HG13 ILE 42 HG13 ILE 42 2.638 0.161 -2.162 308 HG21 ILE 42 HG21 ILE 42 5.151 -1.562 -1.996 309 HG22 ILE 42 HG22 ILE 42 4.826 -2.490 -3.461 310 HG23 ILE 42 HG23 ILE 42 3.511 -2.116 -2.344 311 HD11 ILE 42 HD11 ILE 42 3.887 1.688 -0.815 312 HD12 ILE 42 HD12 ILE 42 5.296 1.515 -1.862 313 HD13 ILE 42 HD13 ILE 42 4.743 0.145 -0.898 314 H LYS 43 H LYS 43 7.485 -1.482 -4.214 315 HA LYS 43 HA LYS 43 6.818 -2.386 -6.852 316 HB2 LYS 43 HB2 LYS 43 9.177 -1.714 -6.450 317 HB3 LYS 43 HB3 LYS 43 9.326 -3.010 -5.272 318 HG2 LYS 43 HG2 LYS 43 9.091 -4.680 -6.951 319 HG3 LYS 43 HG3 LYS 43 8.607 -3.487 -8.155 320 HD2 LYS 43 HD2 LYS 43 10.840 -2.464 -8.011 321 HD3 LYS 43 HD3 LYS 43 11.315 -3.693 -6.841 322 HE2 LYS 43 HE2 LYS 43 10.411 -4.249 -9.669 323 HE3 LYS 43 HE3 LYS 43 12.090 -4.190 -9.141 324 HZ1 LYS 43 HZ1 LYS 43 11.603 -5.982 -7.597 325 HZ2 LYS 43 HZ2 LYS 43 11.363 -6.493 -9.163 326 HZ3 LYS 43 HZ3 LYS 43 10.048 -6.136 -8.159 327 H TRP 44 H TRP 44 5.345 -3.787 -6.905 328 HA TRP 44 HA TRP 44 4.822 -5.586 -4.765 329 HB2 TRP 44 HB2 TRP 44 3.591 -5.584 -7.538 330 HB3 TRP 44 HB3 TRP 44 2.995 -6.399 -6.107 331 HD1 TRP 44 HD1 TRP 44 2.649 -3.238 -7.953 332 HE1 TRP 44 HE1 TRP 44 1.329 -1.532 -6.556 333 HE3 TRP 44 HE3 TRP 44 2.697 -5.655 -3.478 334 HZ2 TRP 44 HZ2 TRP 44 0.405 -1.266 -3.932 335 HZ3 TRP 44 HZ3 TRP 44 1.561 -4.621 -1.577 336 HH2 TRP 44 HH2 TRP 44 0.437 -2.469 -1.804 337 H ALA 45 H ALA 45 5.768 -7.375 -4.455 338 HA ALA 45 HA ALA 45 7.094 -8.795 -6.611 339 HB1 ALA 45 HB1 ALA 45 8.293 -8.626 -4.479 340 HB2 ALA 45 HB2 ALA 45 7.844 -10.307 -4.785 341 HB3 ALA 45 HB3 ALA 45 6.916 -9.339 -3.643 342 H GLY 46 H GLY 46 6.497 -11.055 -6.949 343 HA2 GLY 46 HA2 GLY 46 4.976 -12.847 -6.830 344 HA3 GLY 46 HA3 GLY 46 3.862 -11.810 -5.945 345 H TYR 47 H TYR 47 4.313 -9.645 -7.958 346 HA TYR 47 HA TYR 47 2.549 -10.777 -10.013 347 HB2 TYR 47 HB2 TYR 47 2.023 -8.519 -8.561 348 HB3 TYR 47 HB3 TYR 47 2.781 -7.813 -10.000 349 HD1 TYR 47 HD2 TYR 47 0.750 -10.588 -9.600 350 HD2 TYR 47 HD1 TYR 47 1.128 -6.992 -11.339 351 HE1 TYR 47 HE2 TYR 47 -1.456 -11.028 -10.805 352 HE2 TYR 47 HE1 TYR 47 -0.949 -7.271 -12.609 353 HH TYR 47 HH TYR 47 -2.369 -9.006 -13.394 354 H ASP 48 H ASP 48 2.700 -9.373 -11.932 355 HA ASP 48 HA ASP 48 5.216 -9.890 -13.160 356 HB2 ASP 48 HB2 ASP 48 3.239 -9.515 -14.581 357 HB3 ASP 48 HB3 ASP 48 3.218 -7.808 -14.110 358 H TRP 49 H TRP 49 6.887 -8.603 -13.731 359 HA TRP 49 HA TRP 49 7.829 -7.038 -11.585 360 HB2 TRP 49 HB2 TRP 49 9.023 -7.416 -14.325 361 HB3 TRP 49 HB3 TRP 49 9.859 -6.802 -12.901 362 HD1 TRP 49 HD1 TRP 49 8.541 -10.031 -14.438 363 HE1 TRP 49 HE1 TRP 49 9.489 -12.029 -13.136 364 HE3 TRP 49 HE3 TRP 49 10.712 -7.504 -10.571 365 HZ2 TRP 49 HZ2 TRP 49 10.967 -12.481 -10.763 366 HZ3 TRP 49 HZ3 TRP 49 11.870 -8.791 -8.817 367 HH2 TRP 49 HH2 TRP 49 11.993 -11.226 -8.915 368 H TYR 50 H TYR 50 6.197 -6.145 -14.559 369 HA TYR 50 HA TYR 50 7.058 -3.376 -14.166 370 HB2 TYR 50 HB2 TYR 50 5.592 -4.663 -16.478 371 HB3 TYR 50 HB3 TYR 50 6.099 -2.980 -16.403 372 HD1 TYR 50 HD1 TYR 50 8.571 -2.467 -16.291 373 HD2 TYR 50 HD2 TYR 50 7.088 -6.352 -17.192 374 HE1 TYR 50 HE1 TYR 50 10.759 -3.080 -17.231 375 HE2 TYR 50 HE2 TYR 50 9.273 -6.976 -18.130 376 HH TYR 50 HH TYR 50 12.062 -5.126 -17.652 377 H ASP 51 H ASP 51 4.943 -5.066 -12.688 378 HA ASP 51 HA ASP 51 2.600 -3.416 -13.205 379 HB2 ASP 51 HB2 ASP 51 2.767 -6.068 -12.705 380 HB3 ASP 51 HB3 ASP 51 2.276 -5.508 -11.117 381 H ASN 52 H ASN 52 5.154 -3.484 -11.149 382 HA ASN 52 HA ASN 52 4.152 -2.544 -8.732 383 HB2 ASN 52 HB2 ASN 52 6.334 -1.284 -8.455 384 HB3 ASN 52 HB3 ASN 52 6.458 -3.012 -8.751 385 HD21 ASN 52 HD21 ASN 52 5.860 -0.757 -11.395 386 HD22 ASN 52 HD22 ASN 52 7.447 -0.888 -12.067 387 H THR 53 H THR 53 3.505 -0.590 -7.866 388 HA THR 53 HA THR 53 3.332 1.707 -9.551 389 HB THR 53 HB THR 53 1.486 0.296 -10.442 390 HG1 THR 53 HG1 THR 53 0.148 1.936 -10.600 391 HG21 THR 53 HG21 THR 53 0.317 0.537 -7.656 392 HG22 THR 53 HG22 THR 53 0.887 -0.951 -8.411 393 HG23 THR 53 HG23 THR 53 -0.525 -0.120 -9.058 394 H TRP 54 H TRP 54 1.598 3.235 -8.345 395 HA TRP 54 HA TRP 54 2.763 3.627 -5.674 396 HB2 TRP 54 HB2 TRP 54 1.028 5.481 -7.316 397 HB3 TRP 54 HB3 TRP 54 1.892 5.892 -5.848 398 HD1 TRP 54 HD1 TRP 54 2.605 4.952 -9.534 399 HE1 TRP 54 HE1 TRP 54 4.789 6.096 -10.245 400 HE3 TRP 54 HE3 TRP 54 3.988 6.960 -5.027 401 HZ2 TRP 54 HZ2 TRP 54 6.813 7.659 -9.074 402 HZ3 TRP 54 HZ3 TRP 54 6.048 8.273 -4.929 403 HH2 TRP 54 HH2 TRP 54 7.436 8.613 -6.901 404 H GLU 55 H GLU 55 1.523 3.317 -3.808 405 HA GLU 55 HA GLU 55 -1.319 3.776 -4.072 406 HB2 GLU 55 HB2 GLU 55 -2.043 1.828 -2.902 407 HB3 GLU 55 HB3 GLU 55 -0.915 1.269 -4.109 408 HG2 GLU 55 HG2 GLU 55 0.685 0.717 -2.541 409 HG3 GLU 55 HG3 GLU 55 -0.019 1.767 -1.301 410 HA PRO 56 HA PRO 56 -0.762 6.185 -0.428 411 HB2 PRO 56 HB2 PRO 56 -3.049 5.830 0.992 412 HB3 PRO 56 HB3 PRO 56 -2.995 6.775 -0.511 413 HG2 PRO 56 HG2 PRO 56 -3.902 3.979 -0.099 414 HG3 PRO 56 HG3 PRO 56 -4.613 5.264 -1.098 415 HD2 PRO 56 HD2 PRO 56 -3.118 3.302 -2.153 416 HD3 PRO 56 HD3 PRO 56 -3.136 4.945 -2.821 417 H GLU 57 H GLU 57 -0.410 6.254 1.757 418 HA GLU 57 HA GLU 57 1.107 4.202 2.851 419 HB2 GLU 57 HB2 GLU 57 1.379 6.602 3.311 420 HB3 GLU 57 HB3 GLU 57 -0.127 6.598 4.188 421 HG2 GLU 57 HG2 GLU 57 0.788 5.310 5.958 422 HG3 GLU 57 HG3 GLU 57 2.245 4.956 5.029 423 H GLN 58 H GLN 58 -2.247 4.789 3.205 424 HA GLN 58 HA GLN 58 -2.802 3.560 5.668 425 HB2 GLN 58 HB2 GLN 58 -4.531 3.795 3.211 426 HB3 GLN 58 HB3 GLN 58 -5.113 3.369 4.814 427 HG2 GLN 58 HG2 GLN 58 -4.476 5.535 5.672 428 HG3 GLN 58 HG3 GLN 58 -3.745 5.964 4.128 429 HE21 GLN 58 HE21 GLN 58 -5.092 7.778 3.905 430 HE22 GLN 58 HE22 GLN 58 -6.769 7.595 3.529 431 H ASN 59 H ASN 59 -2.138 2.206 2.591 432 HA ASN 59 HA ASN 59 -3.246 -0.381 3.248 433 HB2 ASN 59 HB2 ASN 59 -2.039 0.766 0.757 434 HB3 ASN 59 HB3 ASN 59 -2.465 -0.932 0.897 435 HD21 ASN 59 HD21 ASN 59 -3.773 2.251 1.152 436 HD22 ASN 59 HD22 ASN 59 -5.388 1.778 0.613 437 H LEU 60 H LEU 60 -0.427 1.097 3.964 438 HA LEU 60 HA LEU 60 1.458 -1.027 3.261 439 HB2 LEU 60 HB2 LEU 60 1.694 1.751 4.359 440 HB3 LEU 60 HB3 LEU 60 3.022 0.636 4.542 441 HG LEU 60 HG LEU 60 3.309 2.209 2.658 442 HD11 LEU 60 HD11 LEU 60 3.074 -0.666 1.839 443 HD12 LEU 60 HD12 LEU 60 4.451 0.098 2.636 444 HD13 LEU 60 HD13 LEU 60 3.998 0.583 1.007 445 HD21 LEU 60 HD21 LEU 60 0.962 2.402 1.937 446 HD22 LEU 60 HD22 LEU 60 1.007 0.731 1.382 447 HD23 LEU 60 HD23 LEU 60 2.023 1.944 0.606 448 H PHE 61 H PHE 61 -0.669 -1.218 5.411 449 HA PHE 61 HA PHE 61 0.318 -1.180 8.008 450 HB2 PHE 61 HB2 PHE 61 -1.540 -2.563 8.637 451 HB3 PHE 61 HB3 PHE 61 -2.071 -1.583 7.277 452 HD1 PHE 61 HD2 PHE 61 -1.981 -2.712 4.924 453 HD2 PHE 61 HD1 PHE 61 -1.847 -4.862 8.600 454 HE1 PHE 61 HE2 PHE 61 -2.685 -4.769 3.759 455 HE2 PHE 61 HE1 PHE 61 -2.554 -6.904 7.435 456 HZ PHE 61 HZ PHE 61 -2.972 -6.855 5.010 457 H GLY 62 H GLY 62 0.849 -3.661 5.574 458 HA2 GLY 62 HA2 GLY 62 2.070 -5.466 7.522 459 HA3 GLY 62 HA3 GLY 62 1.762 -5.821 5.825 460 H ALA 63 H ALA 63 2.907 -3.092 5.286 461 HA ALA 63 HA ALA 63 5.734 -3.915 4.983 462 HB1 ALA 63 HB1 ALA 63 4.061 -1.843 3.590 463 HB2 ALA 63 HB2 ALA 63 4.419 -3.452 2.963 464 HB3 ALA 63 HB3 ALA 63 5.723 -2.288 3.199 465 H GLU 64 H GLU 64 4.459 -2.826 7.416 466 HA GLU 64 HA GLU 64 5.229 -0.204 7.850 467 HB2 GLU 64 HB2 GLU 64 3.800 -1.463 9.392 468 HB3 GLU 64 HB3 GLU 64 5.137 -2.524 9.799 469 HG2 GLU 64 HG2 GLU 64 4.749 -0.906 11.560 470 HG3 GLU 64 HG3 GLU 64 6.323 -0.645 10.813 471 H LYS 65 H LYS 65 7.064 -3.135 7.897 472 HA LYS 65 HA LYS 65 9.433 -2.278 9.157 473 HB2 LYS 65 HB2 LYS 65 9.411 -4.214 6.818 474 HB3 LYS 65 HB3 LYS 65 10.610 -4.101 8.084 475 HG2 LYS 65 HG2 LYS 65 9.523 -5.953 8.825 476 HG3 LYS 65 HG3 LYS 65 8.478 -4.754 9.585 477 HD2 LYS 65 HD2 LYS 65 6.899 -4.920 7.702 478 HD3 LYS 65 HD3 LYS 65 7.980 -6.057 6.899 479 HE2 LYS 65 HE2 LYS 65 7.692 -7.619 8.808 480 HE3 LYS 65 HE3 LYS 65 6.530 -6.497 9.512 481 HZ1 LYS 65 HZ1 LYS 65 5.190 -6.769 7.428 482 HZ2 LYS 65 HZ2 LYS 65 5.324 -8.173 8.348 483 HZ3 LYS 65 HZ3 LYS 65 6.228 -8.022 6.954 484 H VAL 66 H VAL 66 8.682 -2.449 5.697 485 HA VAL 66 HA VAL 66 10.973 -0.985 4.954 486 HB VAL 66 HB VAL 66 9.865 -0.882 2.645 487 HG11 VAL 66 HG11 VAL 66 10.374 -3.246 2.208 488 HG12 VAL 66 HG12 VAL 66 10.377 -3.545 3.949 489 HG13 VAL 66 HG13 VAL 66 11.594 -2.491 3.234 490 HG21 VAL 66 HG21 VAL 66 8.082 -2.479 2.243 491 HG22 VAL 66 HG22 VAL 66 7.577 -1.199 3.348 492 HG23 VAL 66 HG23 VAL 66 7.977 -2.799 3.974 493 H LEU 67 H LEU 67 7.660 -0.049 5.562 494 HA LEU 67 HA LEU 67 7.732 2.502 4.427 495 HB2 LEU 67 HB2 LEU 67 5.657 1.461 5.122 496 HB3 LEU 67 HB3 LEU 67 6.191 1.436 6.789 497 HG LEU 67 HG LEU 67 6.090 3.889 6.863 498 HD11 LEU 67 HD11 LEU 67 6.548 4.360 4.524 499 HD12 LEU 67 HD12 LEU 67 5.061 5.137 5.047 500 HD13 LEU 67 HD13 LEU 67 4.990 3.669 4.069 501 HD21 LEU 67 HD21 LEU 67 3.656 4.100 6.784 502 HD22 LEU 67 HD22 LEU 67 4.148 2.587 7.545 503 HD23 LEU 67 HD23 LEU 67 3.554 2.589 5.883 504 H LYS 68 H LYS 68 8.328 1.482 7.776 505 HA LYS 68 HA LYS 68 9.170 4.041 8.559 506 HB2 LYS 68 HB2 LYS 68 9.580 1.372 9.896 507 HB3 LYS 68 HB3 LYS 68 10.088 2.900 10.604 508 HG2 LYS 68 HG2 LYS 68 7.254 2.160 9.877 509 HG3 LYS 68 HG3 LYS 68 7.938 2.142 11.502 510 HD2 LYS 68 HD2 LYS 68 8.305 4.567 11.385 511 HD3 LYS 68 HD3 LYS 68 7.682 4.596 9.739 512 HE2 LYS 68 HE2 LYS 68 6.082 3.712 12.140 513 HE3 LYS 68 HE3 LYS 68 6.043 5.339 11.470 514 HZ1 LYS 68 HZ1 LYS 68 4.187 3.897 10.670 515 HZ2 LYS 68 HZ2 LYS 68 5.266 2.841 10.057 516 HZ3 LYS 68 HZ3 LYS 68 5.156 4.353 9.358 517 H LYS 69 H LYS 69 10.948 1.273 7.351 518 HA LYS 69 HA LYS 69 13.568 2.202 7.754 519 HB2 LYS 69 HB2 LYS 69 13.017 -0.019 6.794 520 HB3 LYS 69 HB3 LYS 69 12.489 0.774 5.316 521 HG2 LYS 69 HG2 LYS 69 14.900 1.777 5.323 522 HG3 LYS 69 HG3 LYS 69 15.259 0.424 6.390 523 HD2 LYS 69 HD2 LYS 69 15.785 -0.226 4.131 524 HD3 LYS 69 HD3 LYS 69 14.338 -1.106 4.632 525 HE2 LYS 69 HE2 LYS 69 12.916 0.388 3.386 526 HE3 LYS 69 HE3 LYS 69 14.267 1.467 3.050 527 HZ1 LYS 69 HZ1 LYS 69 15.231 -0.328 1.645 528 HZ2 LYS 69 HZ2 LYS 69 13.652 0.048 1.161 529 HZ3 LYS 69 HZ3 LYS 69 13.892 -1.294 1.956 530 H TRP 70 H TRP 70 11.368 2.705 4.980 531 HA TRP 70 HA TRP 70 12.966 4.325 3.442 532 HB2 TRP 70 HB2 TRP 70 11.055 3.211 2.523 533 HB3 TRP 70 HB3 TRP 70 9.973 4.013 3.653 534 HD1 TRP 70 HD1 TRP 70 9.048 6.312 2.995 535 HE1 TRP 70 HE1 TRP 70 9.261 7.801 0.975 536 HE3 TRP 70 HE3 TRP 70 12.826 3.841 0.609 537 HZ2 TRP 70 HZ2 TRP 70 10.831 7.941 -1.405 538 HZ3 TRP 70 HZ3 TRP 70 13.625 4.719 -1.546 539 HH2 TRP 70 HH2 TRP 70 12.646 6.727 -2.530 540 H LYS 71 H LYS 71 10.256 5.328 5.534 541 HA LYS 71 HA LYS 71 10.879 8.037 5.221 542 HB2 LYS 71 HB2 LYS 71 8.939 6.568 6.846 543 HB3 LYS 71 HB3 LYS 71 9.342 8.205 7.415 544 HG2 LYS 71 HG2 LYS 71 8.723 9.023 5.161 545 HG3 LYS 71 HG3 LYS 71 8.245 7.379 4.736 546 HD2 LYS 71 HD2 LYS 71 6.527 7.378 6.417 547 HD3 LYS 71 HD3 LYS 71 7.081 8.930 7.048 548 HE2 LYS 71 HE2 LYS 71 6.463 10.028 4.970 549 HE3 LYS 71 HE3 LYS 71 6.026 8.464 4.274 550 HZ1 LYS 71 HZ1 LYS 71 4.229 8.255 5.848 551 HZ2 LYS 71 HZ2 LYS 71 4.074 9.669 4.996 552 HZ3 LYS 71 HZ3 LYS 71 4.628 9.721 6.593 553 H LYS 72 H LYS 72 12.205 5.779 7.372 554 HA LYS 72 HA LYS 72 13.333 7.667 9.161 555 HB2 LYS 72 HB2 LYS 72 13.211 5.274 9.662 556 HB3 LYS 72 HB3 LYS 72 14.324 4.944 8.348 557 HG2 LYS 72 HG2 LYS 72 16.136 5.881 9.498 558 HG3 LYS 72 HG3 LYS 72 15.084 6.692 10.662 559 HD2 LYS 72 HD2 LYS 72 16.126 4.730 11.672 560 HD3 LYS 72 HD3 LYS 72 14.371 4.573 11.527 561 HE2 LYS 72 HE2 LYS 72 14.646 3.162 9.541 562 HE3 LYS 72 HE3 LYS 72 16.399 3.323 9.658 563 HZ1 LYS 72 HZ1 LYS 72 16.307 2.194 11.804 564 HZ2 LYS 72 HZ2 LYS 72 15.628 1.229 10.592 565 HZ3 LYS 72 HZ3 LYS 72 14.626 2.052 11.673 566 H ARG 73 H ARG 73 14.490 6.184 6.134 567 HA ARG 73 HA ARG 73 16.916 7.758 6.185 568 HB2 ARG 73 HB2 ARG 73 15.809 5.849 4.148 569 HB3 ARG 73 HB3 ARG 73 17.301 6.743 3.917 570 HG2 ARG 73 HG2 ARG 73 16.820 4.876 6.236 571 HG3 ARG 73 HG3 ARG 73 17.577 4.385 4.723 572 HD2 ARG 73 HD2 ARG 73 19.299 4.859 6.360 573 HD3 ARG 73 HD3 ARG 73 19.349 6.078 5.095 574 HE ARG 73 HE ARG 73 17.797 6.813 7.400 575 HH11 ARG 73 HH11 ARG 73 21.026 6.853 5.969 576 HH12 ARG 73 HH12 ARG 73 21.617 8.154 6.889 577 HH21 ARG 73 HH21 ARG 73 18.584 8.645 8.707 578 HH22 ARG 73 HH22 ARG 73 20.174 9.202 8.504 579 H LYS 74 H LYS 74 13.776 8.162 4.752 580 HA LYS 74 HA LYS 74 14.773 10.550 3.360 581 HB2 LYS 74 HB2 LYS 74 14.328 8.686 1.766 582 HB3 LYS 74 HB3 LYS 74 12.690 8.564 2.367 583 HG2 LYS 74 HG2 LYS 74 13.729 11.082 1.071 584 HG3 LYS 74 HG3 LYS 74 13.065 9.751 0.127 585 HD2 LYS 74 HD2 LYS 74 10.957 9.947 1.250 586 HD3 LYS 74 HD3 LYS 74 11.608 11.134 2.366 587 HE2 LYS 74 HE2 LYS 74 11.976 12.694 0.496 588 HE3 LYS 74 HE3 LYS 74 11.257 11.516 -0.608 589 HZ1 LYS 74 HZ1 LYS 74 9.704 13.281 0.206 590 HZ2 LYS 74 HZ2 LYS 74 9.829 12.608 1.753 591 HZ3 LYS 74 HZ3 LYS 74 9.190 11.700 0.465 592 H LYS 75 H LYS 75 13.613 12.394 3.615 593 HA LYS 75 HA LYS 75 11.269 12.241 5.359 594 HB2 LYS 75 HB2 LYS 75 13.123 14.581 4.782 595 HB3 LYS 75 HB3 LYS 75 11.731 14.626 5.859 596 HG2 LYS 75 HG2 LYS 75 14.133 12.860 6.238 597 HG3 LYS 75 HG3 LYS 75 13.883 14.410 7.040 598 HD2 LYS 75 HD2 LYS 75 12.211 13.601 8.393 599 HD3 LYS 75 HD3 LYS 75 11.727 12.346 7.257 600 HE2 LYS 75 HE2 LYS 75 14.288 12.361 8.836 601 HE3 LYS 75 HE3 LYS 75 12.837 11.444 9.259 602 HZ1 LYS 75 HZ1 LYS 75 14.484 10.092 8.000 603 HZ2 LYS 75 HZ2 LYS 75 14.263 11.122 6.666 604 HZ3 LYS 75 HZ3 LYS 75 12.986 10.223 7.263 605 H1 ALA 1 H1 ALA 1 12.725 -17.548 8.086 606 H2 ALA 1 H2 ALA 1 13.771 -17.803 6.813 607 H3 ALA 1 H3 ALA 1 13.047 -19.148 7.599 608 HA ALA 1 HA ALA 1 11.971 -18.633 5.472 609 HB1 ALA 1 HB1 ALA 1 9.671 -18.346 6.324 610 HB2 ALA 1 HB2 ALA 1 10.319 -17.878 7.897 611 HB3 ALA 1 HB3 ALA 1 10.570 -19.515 7.292 612 H ARG 2 H ARG 2 10.529 -16.958 4.374 613 HA ARG 2 HA ARG 2 11.765 -14.396 4.792 614 HB2 ARG 2 HB2 ARG 2 11.709 -15.002 2.484 615 HB3 ARG 2 HB3 ARG 2 10.023 -15.476 2.567 616 HG2 ARG 2 HG2 ARG 2 9.302 -13.211 2.682 617 HG3 ARG 2 HG3 ARG 2 10.948 -12.623 2.919 618 HD2 ARG 2 HD2 ARG 2 11.549 -13.180 0.665 619 HD3 ARG 2 HD3 ARG 2 10.062 -14.088 0.429 620 HE ARG 2 HE ARG 2 9.168 -12.155 -0.376 621 HH11 ARG 2 HH11 ARG 2 11.453 -11.006 2.137 622 HH12 ARG 2 HH12 ARG 2 11.071 -9.364 1.807 623 HH21 ARG 2 HH21 ARG 2 8.831 -10.063 -0.785 624 HH22 ARG 2 HH22 ARG 2 9.556 -8.764 0.077 625 H THR 3 H THR 3 10.930 -13.628 6.653 626 HA THR 3 HA THR 3 8.141 -13.299 7.043 627 HB THR 3 HB THR 3 10.437 -11.788 8.343 628 HG1 THR 3 HG1 THR 3 9.926 -13.660 9.950 629 HG21 THR 3 HG21 THR 3 8.159 -10.957 8.842 630 HG22 THR 3 HG22 THR 3 8.901 -11.678 10.269 631 HG23 THR 3 HG23 THR 3 7.688 -12.577 9.359 632 H LYS 4 H LYS 4 7.414 -12.303 5.242 633 HA LYS 4 HA LYS 4 8.875 -10.139 4.093 634 HB2 LYS 4 HB2 LYS 4 7.143 -10.195 2.331 635 HB3 LYS 4 HB3 LYS 4 8.098 -11.645 2.517 636 HG2 LYS 4 HG2 LYS 4 6.251 -12.791 3.565 637 HG3 LYS 4 HG3 LYS 4 5.302 -11.294 3.613 638 HD2 LYS 4 HD2 LYS 4 5.313 -11.166 1.223 639 HD3 LYS 4 HD3 LYS 4 6.345 -12.583 1.102 640 HE2 LYS 4 HE2 LYS 4 4.537 -13.968 1.910 641 HE3 LYS 4 HE3 LYS 4 3.538 -12.542 2.206 642 HZ1 LYS 4 HZ1 LYS 4 3.371 -12.115 -0.107 643 HZ2 LYS 4 HZ2 LYS 4 3.017 -13.668 0.040 644 HZ3 LYS 4 HZ3 LYS 4 4.593 -13.174 -0.507 645 H GLN 5 H GLN 5 7.944 -8.320 3.276 646 HA GLN 5 HA GLN 5 5.961 -7.053 4.977 647 HB2 GLN 5 HB2 GLN 5 6.842 -4.952 3.842 648 HB3 GLN 5 HB3 GLN 5 8.012 -5.747 4.885 649 HG2 GLN 5 HG2 GLN 5 7.937 -6.086 1.885 650 HG3 GLN 5 HG3 GLN 5 8.838 -4.804 2.681 651 HE21 GLN 5 HE21 GLN 5 10.731 -5.331 3.748 652 HE22 GLN 5 HE22 GLN 5 11.517 -6.851 3.577 653 H THR 6 H THR 6 3.957 -6.481 3.963 654 HA THR 6 HA THR 6 3.853 -6.662 1.094 655 HB THR 6 HB THR 6 1.975 -8.146 1.048 656 HG1 THR 6 HG1 THR 6 0.792 -8.532 2.839 657 HG21 THR 6 HG21 THR 6 4.139 -9.352 1.303 658 HG22 THR 6 HG22 THR 6 2.782 -10.251 1.965 659 HG23 THR 6 HG23 THR 6 3.872 -9.387 3.042 660 H ALA 7 H ALA 7 1.711 -5.643 0.377 661 HA ALA 7 HA ALA 7 0.458 -4.026 2.441 662 HB1 ALA 7 HB1 ALA 7 2.206 -2.584 1.504 663 HB2 ALA 7 HB2 ALA 7 0.619 -2.002 0.993 664 HB3 ALA 7 HB3 ALA 7 1.637 -2.916 -0.123 665 H ARG 8 H ARG 8 -1.506 -2.905 1.219 666 HA ARG 8 HA ARG 8 -3.024 -5.156 0.431 667 HB2 ARG 8 HB2 ARG 8 -3.942 -2.317 0.002 668 HB3 ARG 8 HB3 ARG 8 -4.920 -3.764 0.045 669 HG2 ARG 8 HG2 ARG 8 -3.856 -3.860 2.518 670 HG3 ARG 8 HG3 ARG 8 -3.824 -2.111 2.178 671 HD2 ARG 8 HD2 ARG 8 -5.914 -2.260 3.032 672 HD3 ARG 8 HD3 ARG 8 -6.260 -2.530 1.334 673 HE ARG 8 HE ARG 8 -6.373 -4.459 3.498 674 HH11 ARG 8 HH11 ARG 8 -6.648 -4.152 -0.107 675 HH12 ARG 8 HH12 ARG 8 -7.348 -5.698 -0.248 676 HH21 ARG 8 HH21 ARG 8 -7.442 -6.558 3.132 677 HH22 ARG 8 HH22 ARG 8 -7.800 -6.989 1.528 678 H M3L 9 H M3L 9 -2.192 -2.293 -1.479 679 HA M3L 9 HA M3L 9 -1.978 -1.916 -3.629 680 HB2 M3L 9 1HB M3L 9 -1.235 -4.190 -4.177 681 HB3 M3L 9 2HB M3L 9 -2.918 -4.679 -4.340 682 HG2 M3L 9 1HG M3L 9 -1.931 -2.378 -5.951 683 HG3 M3L 9 2HG M3L 9 -3.220 -3.526 -6.305 684 HD2 M3L 9 1HD M3L 9 -0.711 -3.566 -7.375 685 HD3 M3L 9 2HD M3L 9 -0.563 -4.742 -6.080 686 HE2 M3L 9 1HE M3L 9 -2.596 -4.713 -8.297 687 HE3 M3L 9 2HE M3L 9 -2.671 -5.845 -6.956 688 HM11 M3L 9 1HM1 M3L 9 -1.186 -7.977 -9.675 689 HM12 M3L 9 2HM1 M3L 9 -2.282 -7.935 -8.293 690 HM13 M3L 9 3HM1 M3L 9 -2.590 -6.960 -9.682 691 HM21 M3L 9 1HM2 M3L 9 0.592 -7.478 -8.038 692 HM22 M3L 9 2HM2 M3L 9 -0.244 -6.974 -6.585 693 HM23 M3L 9 3HM2 M3L 9 0.845 -5.878 -7.377 694 HM31 M3L 9 3HM3 M3L 9 0.538 -5.437 -9.849 695 HM32 M3L 9 1HM3 M3L 9 -1.029 -5.237 -10.439 696 HM33 M3L 9 2HM3 M3L 9 -0.447 -4.175 -9.246 697 H SER 10 H SER 10 -3.447 -0.518 -2.938 698 HA SER 10 HA SER 10 -6.211 -0.814 -2.968 699 HB2 SER 10 HB2 SER 10 -5.000 1.027 -1.832 700 HB3 SER 10 HB3 SER 10 -4.544 1.686 -3.399 701 HG SER 10 HG SER 10 -6.514 2.407 -3.696 702 H THR 11 H THR 11 -7.101 -1.645 -4.703 703 HA THR 11 HA THR 11 -6.262 -0.892 -7.328 704 HB THR 11 HB THR 11 -8.376 -2.855 -6.407 705 HG1 THR 11 HG1 THR 11 -6.099 -3.308 -5.842 706 HG21 THR 11 HG21 THR 11 -8.745 -2.086 -8.730 707 HG22 THR 11 HG22 THR 11 -8.212 -3.767 -8.695 708 HG23 THR 11 HG23 THR 11 -7.074 -2.490 -9.127 709 H GLY 12 H GLY 12 -6.863 1.044 -7.774 710 HA2 GLY 12 HA2 GLY 12 -9.575 1.587 -8.462 711 HA3 GLY 12 HA3 GLY 12 -9.017 2.557 -7.095 712 H GLY 13 H GLY 13 -6.535 3.157 -7.551 713 HA2 GLY 13 HA2 GLY 13 -4.961 3.973 -9.097 714 HA3 GLY 13 HA3 GLY 13 -6.219 3.994 -10.326 715 H LYS 14 H LYS 14 -5.023 6.156 -10.529 716 HA LYS 14 HA LYS 14 -6.750 8.139 -9.375 717 HB2 LYS 14 HB2 LYS 14 -4.885 8.052 -7.776 718 HB3 LYS 14 HB3 LYS 14 -3.732 8.261 -9.085 719 HG2 LYS 14 HG2 LYS 14 -4.658 10.491 -9.544 720 HG3 LYS 14 HG3 LYS 14 -5.804 10.283 -8.222 721 HD2 LYS 14 HD2 LYS 14 -2.791 10.276 -7.936 722 HD3 LYS 14 HD3 LYS 14 -3.840 11.649 -7.584 723 HE2 LYS 14 HE2 LYS 14 -4.976 10.330 -5.854 724 HE3 LYS 14 HE3 LYS 14 -3.929 8.959 -6.211 725 HZ1 LYS 14 HZ1 LYS 14 -2.012 10.312 -5.486 726 HZ2 LYS 14 HZ2 LYS 14 -3.089 10.036 -4.344 727 HZ3 LYS 14 HZ3 LYS 14 -3.052 11.566 -5.016 728 H ALA 15 H ALA 15 -7.344 9.376 -11.022 729 HA ALA 15 HA ALA 15 -5.466 9.970 -13.135 730 HB1 ALA 15 HB1 ALA 15 -7.190 9.450 -14.841 731 HB2 ALA 15 HB2 ALA 15 -8.230 8.803 -13.573 732 HB3 ALA 15 HB3 ALA 15 -6.700 8.011 -13.946 733 HA PRO 16 HA PRO 16 -7.461 13.922 -12.546 734 HB2 PRO 16 HB2 PRO 16 -7.167 14.466 -15.435 735 HB3 PRO 16 HB3 PRO 16 -6.413 15.309 -14.066 736 HG2 PRO 16 HG2 PRO 16 -4.966 13.781 -15.683 737 HG3 PRO 16 HG3 PRO 16 -4.646 13.866 -13.939 738 HD2 PRO 16 HD2 PRO 16 -6.057 11.730 -15.477 739 HD3 PRO 16 HD3 PRO 16 -4.873 11.591 -14.157 740 H ARG 17 H ARG 17 -9.574 13.495 -12.158 741 HA ARG 17 HA ARG 17 -11.313 13.287 -14.490 742 HB2 ARG 17 HB2 ARG 17 -11.289 11.153 -13.369 743 HB3 ARG 17 HB3 ARG 17 -11.593 11.915 -11.823 744 HG2 ARG 17 HG2 ARG 17 -13.610 10.828 -12.603 745 HG3 ARG 17 HG3 ARG 17 -13.849 12.567 -12.606 746 HD2 ARG 17 HD2 ARG 17 -13.031 11.083 -15.095 747 HD3 ARG 17 HD3 ARG 17 -14.716 11.176 -14.610 748 HE ARG 17 HE ARG 17 -14.286 13.717 -14.690 749 HH11 ARG 17 HH11 ARG 17 -12.755 11.399 -16.889 750 HH12 ARG 17 HH12 ARG 17 -12.667 12.481 -18.207 751 HH21 ARG 17 HH21 ARG 17 -14.168 15.202 -16.457 752 HH22 ARG 17 HH22 ARG 17 -13.530 14.752 -17.952 753 H TYR 18 H TYR 18 -12.006 15.256 -14.674 754 HA TYR 18 HA TYR 18 -13.600 16.270 -12.466 755 HB2 TYR 18 HB2 TYR 18 -11.669 17.792 -13.159 756 HB3 TYR 18 HB3 TYR 18 -12.348 17.822 -14.779 757 HD1 TYR 18 HD2 TYR 18 -12.977 18.801 -11.262 758 HD2 TYR 18 HD1 TYR 18 -14.108 19.334 -15.330 759 HE1 TYR 18 HE2 TYR 18 -14.360 20.732 -10.622 760 HE2 TYR 18 HE1 TYR 18 -15.489 21.266 -14.700 761 HH TYR 18 HH TYR 18 -15.281 22.762 -11.664 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -25.430 -17.814 -15.938 2 H2 MET 1 H2 MET 1 -24.962 -18.256 -14.350 3 H3 MET 1 H3 MET 1 -23.939 -17.315 -15.276 4 HA MET 1 HA MET 1 -25.457 -15.487 -15.176 5 HB2 MET 1 HB2 MET 1 -27.530 -16.888 -15.067 6 HB3 MET 1 HB3 MET 1 -27.076 -17.390 -13.448 7 HG2 MET 1 HG2 MET 1 -27.341 -15.114 -12.640 8 HG3 MET 1 HG3 MET 1 -27.711 -14.560 -14.271 9 HE1 MET 1 HE1 MET 1 -28.947 -16.647 -11.175 10 HE2 MET 1 HE2 MET 1 -28.931 -17.885 -12.433 11 HE3 MET 1 HE3 MET 1 -30.462 -17.318 -11.772 12 H VAL 2 H VAL 2 -25.008 -14.011 -13.453 13 HA VAL 2 HA VAL 2 -23.173 -15.115 -11.510 14 HB VAL 2 HB VAL 2 -22.509 -13.119 -12.854 15 HG11 VAL 2 HG11 VAL 2 -24.736 -11.691 -11.430 16 HG12 VAL 2 HG12 VAL 2 -24.630 -12.038 -13.156 17 HG13 VAL 2 HG13 VAL 2 -23.489 -10.919 -12.409 18 HG21 VAL 2 HG21 VAL 2 -21.453 -13.439 -10.688 19 HG22 VAL 2 HG22 VAL 2 -22.760 -12.560 -9.896 20 HG23 VAL 2 HG23 VAL 2 -21.674 -11.716 -11.001 21 H SER 3 H SER 3 -23.469 -14.768 -9.266 22 HA SER 3 HA SER 3 -25.898 -13.587 -8.325 23 HB2 SER 3 HB2 SER 3 -26.450 -15.726 -7.026 24 HB3 SER 3 HB3 SER 3 -26.791 -15.764 -8.756 25 HG SER 3 HG SER 3 -25.327 -17.195 -9.043 26 H VAL 4 H VAL 4 -25.343 -12.478 -6.540 27 HA VAL 4 HA VAL 4 -22.807 -13.146 -5.292 28 HB VAL 4 HB VAL 4 -22.919 -10.917 -4.234 29 HG11 VAL 4 HG11 VAL 4 -21.812 -11.114 -6.379 30 HG12 VAL 4 HG12 VAL 4 -22.632 -9.556 -6.262 31 HG13 VAL 4 HG13 VAL 4 -23.343 -10.857 -7.216 32 HG21 VAL 4 HG21 VAL 4 -25.476 -10.554 -5.809 33 HG22 VAL 4 HG22 VAL 4 -24.654 -9.296 -4.882 34 HG23 VAL 4 HG23 VAL 4 -25.348 -10.695 -4.056 35 H LYS 5 H LYS 5 -22.612 -13.577 -3.153 36 HA LYS 5 HA LYS 5 -25.114 -14.098 -1.752 37 HB2 LYS 5 HB2 LYS 5 -22.424 -15.504 -1.481 38 HB3 LYS 5 HB3 LYS 5 -23.764 -15.763 -0.383 39 HG2 LYS 5 HG2 LYS 5 -23.758 -17.601 -1.881 40 HG3 LYS 5 HG3 LYS 5 -25.093 -16.571 -2.382 41 HD2 LYS 5 HD2 LYS 5 -23.619 -15.604 -4.137 42 HD3 LYS 5 HD3 LYS 5 -22.365 -16.752 -3.666 43 HE2 LYS 5 HE2 LYS 5 -23.851 -18.608 -4.238 44 HE3 LYS 5 HE3 LYS 5 -25.114 -17.462 -4.690 45 HZ1 LYS 5 HZ1 LYS 5 -24.008 -18.163 -6.667 46 HZ2 LYS 5 HZ2 LYS 5 -22.481 -17.811 -6.033 47 HZ3 LYS 5 HZ3 LYS 5 -23.563 -16.569 -6.373 48 HA PRO 6 HA PRO 6 -23.688 -11.188 1.356 49 HB2 PRO 6 HB2 PRO 6 -24.434 -13.131 3.470 50 HB3 PRO 6 HB3 PRO 6 -25.077 -11.500 3.191 51 HG2 PRO 6 HG2 PRO 6 -26.563 -13.633 2.696 52 HG3 PRO 6 HG3 PRO 6 -26.626 -12.193 1.658 53 HD2 PRO 6 HD2 PRO 6 -25.252 -14.796 1.165 54 HD3 PRO 6 HD3 PRO 6 -26.166 -13.762 0.044 55 H LEU 7 H LEU 7 -21.560 -10.985 1.715 56 HA LEU 7 HA LEU 7 -20.051 -13.404 2.229 57 HB2 LEU 7 HB2 LEU 7 -19.133 -10.680 1.301 58 HB3 LEU 7 HB3 LEU 7 -18.084 -12.060 1.544 59 HG LEU 7 HG LEU 7 -20.292 -11.866 -0.509 60 HD11 LEU 7 HD11 LEU 7 -18.471 -11.837 -2.134 61 HD12 LEU 7 HD12 LEU 7 -17.298 -11.812 -0.818 62 HD13 LEU 7 HD13 LEU 7 -18.396 -10.451 -1.046 63 HD21 LEU 7 HD21 LEU 7 -18.268 -14.053 -0.003 64 HD22 LEU 7 HD22 LEU 7 -19.363 -13.973 -1.380 65 HD23 LEU 7 HD23 LEU 7 -20.012 -14.167 0.247 66 HA PRO 8 HA PRO 8 -18.926 -11.973 6.321 67 HB2 PRO 8 HB2 PRO 8 -16.410 -13.391 6.209 68 HB3 PRO 8 HB3 PRO 8 -17.893 -13.888 7.043 69 HG2 PRO 8 HG2 PRO 8 -16.881 -15.213 4.912 70 HG3 PRO 8 HG3 PRO 8 -18.606 -15.184 5.334 71 HD2 PRO 8 HD2 PRO 8 -17.154 -13.600 3.265 72 HD3 PRO 8 HD3 PRO 8 -18.741 -14.400 3.190 73 H ASP 9 H ASP 9 -18.047 -10.014 6.913 74 HA ASP 9 HA ASP 9 -16.019 -8.825 5.236 75 HB2 ASP 9 HB2 ASP 9 -16.332 -6.861 6.709 76 HB3 ASP 9 HB3 ASP 9 -17.903 -7.469 6.201 77 H ILE 10 H ILE 10 -16.428 -10.094 8.458 78 HA ILE 10 HA ILE 10 -13.523 -10.432 8.576 79 HB ILE 10 HB ILE 10 -15.525 -11.036 10.784 80 HG12 ILE 10 HG12 ILE 10 -13.589 -8.702 10.529 81 HG13 ILE 10 HG13 ILE 10 -15.327 -8.587 10.291 82 HG21 ILE 10 HG21 ILE 10 -13.430 -12.378 10.710 83 HG22 ILE 10 HG22 ILE 10 -13.527 -11.378 12.170 84 HG23 ILE 10 HG23 ILE 10 -12.498 -10.893 10.813 85 HD11 ILE 10 HD11 ILE 10 -14.671 -7.765 12.481 86 HD12 ILE 10 HD12 ILE 10 -13.937 -9.322 12.862 87 HD13 ILE 10 HD13 ILE 10 -15.681 -9.203 12.633 88 H ASP 11 H ASP 11 -12.747 -12.347 8.045 89 HA ASP 11 HA ASP 11 -14.540 -14.380 7.155 90 HB2 ASP 11 HB2 ASP 11 -12.229 -13.719 6.260 91 HB3 ASP 11 HB3 ASP 11 -11.620 -14.705 7.578 92 H SER 12 H SER 12 -14.789 -16.362 7.990 93 HA SER 12 HA SER 12 -14.230 -16.659 10.859 94 HB2 SER 12 HB2 SER 12 -16.296 -18.069 9.166 95 HB3 SER 12 HB3 SER 12 -16.167 -18.099 10.930 96 HG SER 12 HG SER 12 -16.222 -15.590 9.922 97 H ASN 13 H ASN 13 -13.327 -17.719 7.772 98 HA ASN 13 HA ASN 13 -12.423 -20.330 8.743 99 HB2 ASN 13 HB2 ASN 13 -14.046 -20.175 6.715 100 HB3 ASN 13 HB3 ASN 13 -12.684 -19.490 5.840 101 HD21 ASN 13 HD21 ASN 13 -10.883 -20.859 5.327 102 HD22 ASN 13 HD22 ASN 13 -10.945 -22.544 5.506 103 H GLU 14 H GLU 14 -10.280 -20.946 7.547 104 HA GLU 14 HA GLU 14 -8.580 -18.632 7.774 105 HB2 GLU 14 HB2 GLU 14 -6.715 -20.413 7.696 106 HB3 GLU 14 HB3 GLU 14 -7.686 -20.298 9.145 107 HG2 GLU 14 HG2 GLU 14 -7.265 -22.618 8.598 108 HG3 GLU 14 HG3 GLU 14 -8.977 -22.265 8.423 109 H GLY 15 H GLY 15 -6.910 -18.234 6.193 110 HA2 GLY 15 HA2 GLY 15 -6.836 -19.517 3.726 111 HA3 GLY 15 HA3 GLY 15 -7.887 -18.103 3.620 112 H GLU 16 H GLU 16 -6.074 -17.564 2.083 113 HA GLU 16 HA GLU 16 -3.929 -16.236 3.542 114 HB2 GLU 16 HB2 GLU 16 -3.146 -17.917 1.880 115 HB3 GLU 16 HB3 GLU 16 -4.055 -17.097 0.624 116 HG2 GLU 16 HG2 GLU 16 -1.618 -16.644 0.570 117 HG3 GLU 16 HG3 GLU 16 -2.604 -15.193 0.726 118 H THR 17 H THR 17 -3.436 -14.094 2.792 119 HA THR 17 HA THR 17 -5.946 -12.731 2.141 120 HB THR 17 HB THR 17 -4.935 -12.215 4.308 121 HG1 THR 17 HG1 THR 17 -5.061 -10.172 2.366 122 HG21 THR 17 HG21 THR 17 -2.664 -11.110 2.678 123 HG22 THR 17 HG22 THR 17 -2.604 -12.516 3.740 124 HG23 THR 17 HG23 THR 17 -2.849 -10.901 4.425 125 H ASP 18 H ASP 18 -3.712 -13.867 0.364 126 HA ASP 18 HA ASP 18 -2.212 -11.872 -0.909 127 HB2 ASP 18 HB2 ASP 18 -1.835 -13.483 -2.676 128 HB3 ASP 18 HB3 ASP 18 -1.822 -14.330 -1.135 129 H ALA 19 H ALA 19 -5.427 -12.975 -1.437 130 HA ALA 19 HA ALA 19 -6.070 -11.973 -3.921 131 HB1 ALA 19 HB1 ALA 19 -7.534 -13.423 -2.599 132 HB2 ALA 19 HB2 ALA 19 -8.391 -12.021 -3.241 133 HB3 ALA 19 HB3 ALA 19 -7.912 -12.062 -1.543 134 H ASP 20 H ASP 20 -5.717 -10.144 -0.964 135 HA ASP 20 HA ASP 20 -6.310 -7.689 -2.505 136 HB2 ASP 20 HB2 ASP 20 -8.238 -8.249 -0.992 137 HB3 ASP 20 HB3 ASP 20 -7.146 -8.235 0.377 138 H VAL 21 H VAL 21 -3.889 -9.354 -1.433 139 HA VAL 21 HA VAL 21 -2.349 -7.088 -0.445 140 HB VAL 21 HB VAL 21 -2.538 -9.674 1.136 141 HG11 VAL 21 HG11 VAL 21 -0.266 -8.834 1.125 142 HG12 VAL 21 HG12 VAL 21 -0.989 -8.629 2.722 143 HG13 VAL 21 HG13 VAL 21 -0.832 -7.246 1.638 144 HG21 VAL 21 HG21 VAL 21 -3.393 -8.328 2.971 145 HG22 VAL 21 HG22 VAL 21 -4.413 -8.190 1.529 146 HG23 VAL 21 HG23 VAL 21 -3.311 -6.880 1.955 147 H TYR 22 H TYR 22 -0.592 -7.046 -1.642 148 HA TYR 22 HA TYR 22 0.588 -9.607 -2.479 149 HB2 TYR 22 HB2 TYR 22 0.639 -6.936 -3.884 150 HB3 TYR 22 HB3 TYR 22 1.663 -8.291 -4.348 151 HD1 TYR 22 HD2 TYR 22 -1.812 -7.070 -4.186 152 HD2 TYR 22 HD1 TYR 22 0.773 -10.163 -5.534 153 HE1 TYR 22 HE2 TYR 22 -3.617 -7.959 -5.598 154 HE2 TYR 22 HE1 TYR 22 -1.020 -11.064 -6.936 155 HH TYR 22 HH TYR 22 -3.576 -10.975 -6.905 156 H GLU 23 H GLU 23 3.015 -9.535 -2.759 157 HA GLU 23 HA GLU 23 4.088 -8.671 -0.283 158 HB2 GLU 23 HB2 GLU 23 4.646 -10.809 -1.762 159 HB3 GLU 23 HB3 GLU 23 5.683 -9.607 -2.532 160 HG2 GLU 23 HG2 GLU 23 6.912 -9.218 -0.596 161 HG3 GLU 23 HG3 GLU 23 5.883 -10.309 0.333 162 H VAL 24 H VAL 24 5.581 -7.124 0.106 163 HA VAL 24 HA VAL 24 6.057 -5.152 -1.990 164 HB VAL 24 HB VAL 24 6.317 -4.905 1.014 165 HG11 VAL 24 HG11 VAL 24 6.682 -2.873 -1.165 166 HG12 VAL 24 HG12 VAL 24 7.921 -3.476 -0.046 167 HG13 VAL 24 HG13 VAL 24 6.563 -2.503 0.555 168 HG21 VAL 24 HG21 VAL 24 4.301 -3.719 -0.853 169 HG22 VAL 24 HG22 VAL 24 4.505 -3.355 0.868 170 HG23 VAL 24 HG23 VAL 24 4.018 -4.974 0.366 171 H GLU 25 H GLU 25 7.915 -5.574 -2.949 172 HA GLU 25 HA GLU 25 10.098 -6.889 -1.700 173 HB2 GLU 25 HB2 GLU 25 9.643 -6.716 -4.192 174 HB3 GLU 25 HB3 GLU 25 10.161 -5.046 -4.097 175 HG2 GLU 25 HG2 GLU 25 12.362 -5.840 -3.249 176 HG3 GLU 25 HG3 GLU 25 11.825 -7.493 -3.555 177 H ASP 26 H ASP 26 9.543 -3.465 -2.719 178 HA ASP 26 HA ASP 26 10.420 -2.336 -0.338 179 HB2 ASP 26 HB2 ASP 26 12.655 -3.276 -1.454 180 HB3 ASP 26 HB3 ASP 26 12.521 -1.818 -2.433 181 H ILE 27 H ILE 27 11.208 0.132 -1.030 182 HA ILE 27 HA ILE 27 8.892 1.082 -2.601 183 HB ILE 27 HB ILE 27 10.620 2.744 -0.701 184 HG12 ILE 27 HG12 ILE 27 9.602 0.899 0.573 185 HG13 ILE 27 HG13 ILE 27 8.934 2.457 1.038 186 HG21 ILE 27 HG21 ILE 27 7.856 3.215 -1.800 187 HG22 ILE 27 HG22 ILE 27 9.329 4.046 -2.281 188 HG23 ILE 27 HG23 ILE 27 8.694 4.253 -0.652 189 HD11 ILE 27 HD11 ILE 27 6.946 1.963 -0.300 190 HD12 ILE 27 HD12 ILE 27 7.232 0.752 0.950 191 HD13 ILE 27 HD13 ILE 27 7.637 0.396 -0.731 192 H LEU 28 H LEU 28 9.269 2.503 -4.305 193 HA LEU 28 HA LEU 28 12.093 2.776 -5.088 194 HB2 LEU 28 HB2 LEU 28 9.635 3.147 -6.797 195 HB3 LEU 28 HB3 LEU 28 11.287 3.289 -7.347 196 HG LEU 28 HG LEU 28 9.938 0.771 -6.383 197 HD11 LEU 28 HD11 LEU 28 10.889 1.630 -9.104 198 HD12 LEU 28 HD12 LEU 28 9.212 1.515 -8.575 199 HD13 LEU 28 HD13 LEU 28 10.196 0.060 -8.703 200 HD21 LEU 28 HD21 LEU 28 12.005 -0.366 -7.086 201 HD22 LEU 28 HD22 LEU 28 12.300 0.752 -5.759 202 HD23 LEU 28 HD23 LEU 28 12.753 1.199 -7.405 203 H ALA 29 H ALA 29 9.290 4.646 -4.234 204 HA ALA 29 HA ALA 29 10.770 6.964 -3.713 205 HB1 ALA 29 HB1 ALA 29 10.792 7.231 -6.165 206 HB2 ALA 29 HB2 ALA 29 9.804 8.480 -5.409 207 HB3 ALA 29 HB3 ALA 29 9.034 7.102 -6.196 208 H ASP 30 H ASP 30 9.033 8.870 -3.432 209 HA ASP 30 HA ASP 30 6.505 7.787 -2.503 210 HB2 ASP 30 HB2 ASP 30 6.691 8.942 -0.352 211 HB3 ASP 30 HB3 ASP 30 7.997 7.780 -0.555 212 H ARG 31 H ARG 31 5.059 9.563 -1.839 213 HA ARG 31 HA ARG 31 5.608 12.227 -2.576 214 HB2 ARG 31 HB2 ARG 31 3.954 12.493 -4.352 215 HB3 ARG 31 HB3 ARG 31 5.146 11.303 -4.846 216 HG2 ARG 31 HG2 ARG 31 3.558 9.518 -4.231 217 HG3 ARG 31 HG3 ARG 31 2.372 10.765 -3.833 218 HD2 ARG 31 HD2 ARG 31 2.520 11.597 -6.155 219 HD3 ARG 31 HD3 ARG 31 3.625 10.275 -6.532 220 HE ARG 31 HE ARG 31 0.997 9.608 -5.444 221 HH11 ARG 31 HH11 ARG 31 3.066 9.681 -8.305 222 HH12 ARG 31 HH12 ARG 31 2.098 8.592 -9.190 223 HH21 ARG 31 HH21 ARG 31 -0.262 8.255 -6.532 224 HH22 ARG 31 HH22 ARG 31 0.054 7.691 -8.128 225 H VAL 32 H VAL 32 3.645 13.588 -2.117 226 HA VAL 32 HA VAL 32 1.835 12.271 -0.237 227 HB VAL 32 HB VAL 32 3.160 14.966 0.255 228 HG11 VAL 32 HG11 VAL 32 1.493 13.245 2.080 229 HG12 VAL 32 HG12 VAL 32 0.992 14.745 1.304 230 HG13 VAL 32 HG13 VAL 32 2.263 14.768 2.526 231 HG21 VAL 32 HG21 VAL 32 4.882 13.244 0.444 232 HG22 VAL 32 HG22 VAL 32 3.863 12.327 1.554 233 HG23 VAL 32 HG23 VAL 32 4.492 13.903 2.033 234 H ASN 33 H ASN 33 -0.200 13.101 -0.347 235 HA ASN 33 HA ASN 33 -0.842 14.867 -2.595 236 HB2 ASN 33 HB2 ASN 33 -2.644 13.650 -0.469 237 HB3 ASN 33 HB3 ASN 33 -3.204 14.539 -1.869 238 HD21 ASN 33 HD21 ASN 33 -1.841 11.572 -0.701 239 HD22 ASN 33 HD22 ASN 33 -2.192 10.622 -2.083 240 H LYS 34 H LYS 34 -2.573 16.633 -1.972 241 HA LYS 34 HA LYS 34 -1.440 18.189 0.212 242 HB2 LYS 34 HB2 LYS 34 -3.631 18.900 -1.760 243 HB3 LYS 34 HB3 LYS 34 -2.970 19.987 -0.548 244 HG2 LYS 34 HG2 LYS 34 -0.765 19.830 -1.639 245 HG3 LYS 34 HG3 LYS 34 -1.467 18.784 -2.871 246 HD2 LYS 34 HD2 LYS 34 -1.322 21.058 -3.717 247 HD3 LYS 34 HD3 LYS 34 -3.015 20.621 -3.497 248 HE2 LYS 34 HE2 LYS 34 -3.062 21.855 -1.376 249 HE3 LYS 34 HE3 LYS 34 -1.357 22.259 -1.570 250 HZ1 LYS 34 HZ1 LYS 34 -2.787 24.076 -2.234 251 HZ2 LYS 34 HZ2 LYS 34 -3.562 23.099 -3.374 252 HZ3 LYS 34 HZ3 LYS 34 -1.929 23.494 -3.572 253 H ASN 35 H ASN 35 -3.977 16.129 -0.449 254 HA ASN 35 HA ASN 35 -5.901 16.967 1.449 255 HB2 ASN 35 HB2 ASN 35 -5.471 14.233 0.243 256 HB3 ASN 35 HB3 ASN 35 -6.921 14.773 1.081 257 HD21 ASN 35 HD21 ASN 35 -8.341 16.143 0.019 258 HD22 ASN 35 HD22 ASN 35 -8.210 16.451 -1.677 259 H GLY 36 H GLY 36 -2.920 15.261 1.755 260 HA2 GLY 36 HA2 GLY 36 -1.973 15.058 3.960 261 HA3 GLY 36 HA3 GLY 36 -3.590 14.757 4.575 262 H ILE 37 H ILE 37 -2.638 13.149 1.669 263 HA ILE 37 HA ILE 37 -2.364 10.664 3.222 264 HB ILE 37 HB ILE 37 -3.340 11.012 0.356 265 HG12 ILE 37 HG12 ILE 37 -5.408 9.762 1.397 266 HG13 ILE 37 HG13 ILE 37 -4.722 10.408 2.888 267 HG21 ILE 37 HG21 ILE 37 -3.791 8.635 0.338 268 HG22 ILE 37 HG22 ILE 37 -3.018 8.484 1.923 269 HG23 ILE 37 HG23 ILE 37 -2.072 9.003 0.518 270 HD11 ILE 37 HD11 ILE 37 -4.950 12.649 2.074 271 HD12 ILE 37 HD12 ILE 37 -6.508 11.811 1.984 272 HD13 ILE 37 HD13 ILE 37 -5.530 12.037 0.526 273 H ASN 38 H ASN 38 -0.499 9.574 2.983 274 HA ASN 38 HA ASN 38 1.449 10.579 1.044 275 HB2 ASN 38 HB2 ASN 38 1.873 8.481 3.211 276 HB3 ASN 38 HB3 ASN 38 3.118 9.292 2.278 277 HD21 ASN 38 HD21 ASN 38 1.252 9.328 5.137 278 HD22 ASN 38 HD22 ASN 38 1.701 10.902 5.673 279 H GLU 39 H GLU 39 2.282 9.173 -0.565 280 HA GLU 39 HA GLU 39 1.322 6.477 -0.626 281 HB2 GLU 39 HB2 GLU 39 0.568 6.783 -3.069 282 HB3 GLU 39 HB3 GLU 39 -0.509 7.365 -1.817 283 HG2 GLU 39 HG2 GLU 39 0.460 9.639 -2.188 284 HG3 GLU 39 HG3 GLU 39 1.275 8.961 -3.601 285 H TYR 40 H TYR 40 2.511 5.085 -2.046 286 HA TYR 40 HA TYR 40 5.183 6.238 -2.590 287 HB2 TYR 40 HB2 TYR 40 4.711 3.645 -1.135 288 HB3 TYR 40 HB3 TYR 40 6.238 4.482 -1.391 289 HD1 TYR 40 HD1 TYR 40 3.138 4.409 0.479 290 HD2 TYR 40 HD2 TYR 40 6.828 6.363 -0.064 291 HE1 TYR 40 HE1 TYR 40 2.807 5.589 2.609 292 HE2 TYR 40 HE2 TYR 40 6.530 7.573 2.057 293 HH TYR 40 HH TYR 40 4.080 6.738 4.290 294 H TYR 41 H TYR 41 6.415 5.087 -4.025 295 HA TYR 41 HA TYR 41 4.972 3.474 -5.940 296 HB2 TYR 41 HB2 TYR 41 6.896 5.176 -6.416 297 HB3 TYR 41 HB3 TYR 41 7.965 3.893 -5.869 298 HD1 TYR 41 HD1 TYR 41 6.040 1.701 -7.188 299 HD2 TYR 41 HD2 TYR 41 7.972 5.208 -8.610 300 HE1 TYR 41 HE1 TYR 41 6.007 0.791 -9.452 301 HE2 TYR 41 HE2 TYR 41 7.949 4.294 -10.894 302 HH TYR 41 HH TYR 41 6.121 1.484 -11.697 303 H ILE 42 H ILE 42 4.517 1.461 -5.231 304 HA ILE 42 HA ILE 42 6.365 0.098 -3.430 305 HB ILE 42 HB ILE 42 3.627 -0.786 -4.360 306 HG12 ILE 42 HG12 ILE 42 3.373 1.376 -3.204 307 HG13 ILE 42 HG13 ILE 42 2.720 0.057 -2.242 308 HG21 ILE 42 HG21 ILE 42 5.280 -1.593 -1.983 309 HG22 ILE 42 HG22 ILE 42 5.035 -2.544 -3.449 310 HG23 ILE 42 HG23 ILE 42 3.673 -2.205 -2.376 311 HD11 ILE 42 HD11 ILE 42 4.717 0.085 -0.855 312 HD12 ILE 42 HD12 ILE 42 3.902 1.650 -0.871 313 HD13 ILE 42 HD13 ILE 42 5.366 1.408 -1.826 314 H LYS 43 H LYS 43 7.715 -1.439 -4.271 315 HA LYS 43 HA LYS 43 6.957 -2.427 -6.862 316 HB2 LYS 43 HB2 LYS 43 9.349 -1.604 -6.549 317 HB3 LYS 43 HB3 LYS 43 9.616 -3.015 -5.528 318 HG2 LYS 43 HG2 LYS 43 9.496 -4.501 -7.297 319 HG3 LYS 43 HG3 LYS 43 8.512 -3.422 -8.279 320 HD2 LYS 43 HD2 LYS 43 10.623 -3.450 -9.326 321 HD3 LYS 43 HD3 LYS 43 10.578 -1.934 -8.441 322 HE2 LYS 43 HE2 LYS 43 12.715 -2.837 -8.078 323 HE3 LYS 43 HE3 LYS 43 11.813 -3.153 -6.595 324 HZ1 LYS 43 HZ1 LYS 43 11.408 -5.446 -7.421 325 HZ2 LYS 43 HZ2 LYS 43 12.912 -5.111 -7.085 326 HZ3 LYS 43 HZ3 LYS 43 12.442 -5.160 -8.731 327 H TRP 44 H TRP 44 5.598 -3.841 -6.892 328 HA TRP 44 HA TRP 44 5.121 -5.614 -4.720 329 HB2 TRP 44 HB2 TRP 44 3.900 -5.662 -7.499 330 HB3 TRP 44 HB3 TRP 44 3.326 -6.508 -6.077 331 HD1 TRP 44 HD1 TRP 44 2.887 -3.336 -7.905 332 HE1 TRP 44 HE1 TRP 44 1.479 -1.700 -6.505 333 HE3 TRP 44 HE3 TRP 44 2.960 -5.813 -3.468 334 HZ2 TRP 44 HZ2 TRP 44 0.513 -1.509 -3.898 335 HZ3 TRP 44 HZ3 TRP 44 1.758 -4.847 -1.570 336 HH2 TRP 44 HH2 TRP 44 0.560 -2.738 -1.787 337 H ALA 45 H ALA 45 6.095 -7.397 -4.392 338 HA ALA 45 HA ALA 45 7.522 -8.737 -6.525 339 HB1 ALA 45 HB1 ALA 45 7.287 -9.312 -3.571 340 HB2 ALA 45 HB2 ALA 45 8.652 -8.528 -4.369 341 HB3 ALA 45 HB3 ALA 45 8.290 -10.224 -4.696 342 H GLY 46 H GLY 46 7.055 -10.994 -6.905 343 HA2 GLY 46 HA2 GLY 46 5.628 -12.875 -6.833 344 HA3 GLY 46 HA3 GLY 46 4.429 -11.890 -6.002 345 H TYR 47 H TYR 47 4.884 -9.697 -8.010 346 HA TYR 47 HA TYR 47 3.237 -10.922 -10.105 347 HB2 TYR 47 HB2 TYR 47 2.550 -8.689 -8.684 348 HB3 TYR 47 HB3 TYR 47 3.288 -7.946 -10.115 349 HD1 TYR 47 HD1 TYR 47 1.419 -10.834 -9.702 350 HD2 TYR 47 HD2 TYR 47 1.639 -7.265 -11.520 351 HE1 TYR 47 HE1 TYR 47 -0.732 -11.423 -10.946 352 HE2 TYR 47 HE2 TYR 47 -0.389 -7.686 -12.829 353 HH TYR 47 HH TYR 47 -1.685 -9.518 -13.604 354 H ASP 48 H ASP 48 3.345 -9.542 -12.010 355 HA ASP 48 HA ASP 48 5.905 -9.875 -13.228 356 HB2 ASP 48 HB2 ASP 48 3.842 -9.638 -14.595 357 HB3 ASP 48 HB3 ASP 48 3.773 -7.925 -14.158 358 H TRP 49 H TRP 49 7.500 -8.492 -13.736 359 HA TRP 49 HA TRP 49 8.305 -6.877 -11.571 360 HB2 TRP 49 HB2 TRP 49 9.576 -7.108 -14.292 361 HB3 TRP 49 HB3 TRP 49 10.347 -6.550 -12.811 362 HD1 TRP 49 HD1 TRP 49 9.201 -9.724 -14.583 363 HE1 TRP 49 HE1 TRP 49 10.210 -11.764 -13.397 364 HE3 TRP 49 HE3 TRP 49 11.187 -7.378 -10.490 365 HZ2 TRP 49 HZ2 TRP 49 11.657 -12.316 -11.029 366 HZ3 TRP 49 HZ3 TRP 49 12.361 -8.740 -8.809 367 HH2 TRP 49 HH2 TRP 49 12.589 -11.157 -9.075 368 H TYR 50 H TYR 50 6.725 -6.062 -14.614 369 HA TYR 50 HA TYR 50 7.342 -3.261 -14.013 370 HB2 TYR 50 HB2 TYR 50 6.485 -2.699 -16.328 371 HB3 TYR 50 HB3 TYR 50 7.946 -3.664 -16.286 372 HD1 TYR 50 HD1 TYR 50 4.243 -3.947 -16.726 373 HD2 TYR 50 HD2 TYR 50 8.072 -5.624 -17.547 374 HE1 TYR 50 HE1 TYR 50 3.199 -5.583 -18.238 375 HE2 TYR 50 HE2 TYR 50 7.036 -7.255 -19.063 376 HH TYR 50 HH TYR 50 4.756 -8.292 -19.233 377 H ASP 51 H ASP 51 5.294 -5.073 -12.798 378 HA ASP 51 HA ASP 51 2.860 -3.575 -13.392 379 HB2 ASP 51 HB2 ASP 51 3.254 -6.207 -12.891 380 HB3 ASP 51 HB3 ASP 51 2.663 -5.710 -11.320 381 H ASN 52 H ASN 52 5.331 -3.579 -11.238 382 HA ASN 52 HA ASN 52 4.306 -2.684 -8.836 383 HB2 ASN 52 HB2 ASN 52 6.404 -1.545 -8.424 384 HB3 ASN 52 HB3 ASN 52 6.675 -3.143 -9.121 385 HD21 ASN 52 HD21 ASN 52 6.027 -1.794 -11.884 386 HD22 ASN 52 HD22 ASN 52 7.511 -0.985 -12.227 387 H THR 53 H THR 53 3.614 -0.730 -7.924 388 HA THR 53 HA THR 53 3.415 1.596 -9.566 389 HB THR 53 HB THR 53 1.564 0.243 -10.487 390 HG1 THR 53 HG1 THR 53 -0.093 1.777 -10.175 391 HG21 THR 53 HG21 THR 53 -0.405 -0.311 -9.099 392 HG22 THR 53 HG22 THR 53 0.442 0.285 -7.672 393 HG23 THR 53 HG23 THR 53 1.044 -1.135 -8.524 394 H TRP 54 H TRP 54 1.720 3.111 -8.343 395 HA TRP 54 HA TRP 54 2.858 3.491 -5.653 396 HB2 TRP 54 HB2 TRP 54 1.126 5.338 -7.304 397 HB3 TRP 54 HB3 TRP 54 1.947 5.742 -5.811 398 HD1 TRP 54 HD1 TRP 54 2.824 4.772 -9.464 399 HE1 TRP 54 HE1 TRP 54 4.971 6.002 -10.117 400 HE3 TRP 54 HE3 TRP 54 3.887 6.964 -4.971 401 HZ2 TRP 54 HZ2 TRP 54 6.867 7.714 -8.895 402 HZ3 TRP 54 HZ3 TRP 54 5.879 8.395 -4.807 403 HH2 TRP 54 HH2 TRP 54 7.337 8.757 -6.725 404 H GLU 55 H GLU 55 1.597 3.177 -3.797 405 HA GLU 55 HA GLU 55 -1.237 3.625 -4.098 406 HB2 GLU 55 HB2 GLU 55 -1.975 1.659 -2.922 407 HB3 GLU 55 HB3 GLU 55 -0.896 1.135 -4.185 408 HG2 GLU 55 HG2 GLU 55 0.772 0.552 -2.677 409 HG3 GLU 55 HG3 GLU 55 0.041 1.490 -1.366 410 HA PRO 56 HA PRO 56 -0.789 5.989 -0.432 411 HB2 PRO 56 HB2 PRO 56 -3.100 5.570 0.940 412 HB3 PRO 56 HB3 PRO 56 -3.012 6.568 -0.526 413 HG2 PRO 56 HG2 PRO 56 -3.957 3.778 -0.220 414 HG3 PRO 56 HG3 PRO 56 -4.595 5.089 -1.231 415 HD2 PRO 56 HD2 PRO 56 -3.074 3.102 -2.220 416 HD3 PRO 56 HD3 PRO 56 -3.079 4.737 -2.901 417 H GLU 57 H GLU 57 -0.515 6.052 1.765 418 HA GLU 57 HA GLU 57 1.007 4.005 2.845 419 HB2 GLU 57 HB2 GLU 57 1.233 6.406 3.347 420 HB3 GLU 57 HB3 GLU 57 -0.284 6.348 4.199 421 HG2 GLU 57 HG2 GLU 57 0.584 5.186 5.988 422 HG3 GLU 57 HG3 GLU 57 1.968 4.602 5.060 423 H GLN 58 H GLN 58 -2.364 4.598 3.181 424 HA GLN 58 HA GLN 58 -2.967 3.189 5.576 425 HB2 GLN 58 HB2 GLN 58 -4.747 3.373 3.150 426 HB3 GLN 58 HB3 GLN 58 -5.238 3.139 4.818 427 HG2 GLN 58 HG2 GLN 58 -4.085 5.640 3.595 428 HG3 GLN 58 HG3 GLN 58 -5.737 5.389 4.149 429 HE21 GLN 58 HE21 GLN 58 -6.145 5.378 6.390 430 HE22 GLN 58 HE22 GLN 58 -4.979 6.023 7.496 431 H ASN 59 H ASN 59 -2.182 2.087 2.445 432 HA ASN 59 HA ASN 59 -3.289 -0.527 2.877 433 HB2 ASN 59 HB2 ASN 59 -1.809 0.691 0.585 434 HB3 ASN 59 HB3 ASN 59 -2.538 -0.902 0.583 435 HD21 ASN 59 HD21 ASN 59 -4.858 0.249 2.236 436 HD22 ASN 59 HD22 ASN 59 -5.795 1.037 0.982 437 H LEU 60 H LEU 60 -0.467 0.974 3.749 438 HA LEU 60 HA LEU 60 1.341 -1.195 3.089 439 HB2 LEU 60 HB2 LEU 60 1.715 1.589 4.073 440 HB3 LEU 60 HB3 LEU 60 2.977 0.416 4.373 441 HG LEU 60 HG LEU 60 3.199 0.038 1.969 442 HD11 LEU 60 HD11 LEU 60 2.147 1.554 0.353 443 HD12 LEU 60 HD12 LEU 60 1.194 2.267 1.652 444 HD13 LEU 60 HD13 LEU 60 0.956 0.579 1.210 445 HD21 LEU 60 HD21 LEU 60 4.230 2.183 1.414 446 HD22 LEU 60 HD22 LEU 60 4.629 1.630 3.039 447 HD23 LEU 60 HD23 LEU 60 3.430 2.906 2.809 448 H PHE 61 H PHE 61 -0.755 -1.392 5.158 449 HA PHE 61 HA PHE 61 0.128 -1.317 7.781 450 HB2 PHE 61 HB2 PHE 61 -1.732 -2.764 8.332 451 HB3 PHE 61 HB3 PHE 61 -2.206 -1.750 6.973 452 HD1 PHE 61 HD1 PHE 61 -2.270 -2.718 4.664 453 HD2 PHE 61 HD2 PHE 61 -1.779 -5.115 8.146 454 HE1 PHE 61 HE1 PHE 61 -2.954 -4.706 3.393 455 HE2 PHE 61 HE2 PHE 61 -2.458 -7.105 6.876 456 HZ PHE 61 HZ PHE 61 -3.045 -6.902 4.499 457 H GLY 62 H GLY 62 0.889 -3.786 5.392 458 HA2 GLY 62 HA2 GLY 62 2.134 -5.521 7.398 459 HA3 GLY 62 HA3 GLY 62 1.886 -5.909 5.698 460 H ALA 63 H ALA 63 2.905 -3.085 5.221 461 HA ALA 63 HA ALA 63 5.651 -3.912 4.741 462 HB1 ALA 63 HB1 ALA 63 4.273 -3.110 2.877 463 HB2 ALA 63 HB2 ALA 63 5.685 -2.087 3.139 464 HB3 ALA 63 HB3 ALA 63 4.094 -1.552 3.685 465 H GLU 64 H GLU 64 4.751 -3.165 7.328 466 HA GLU 64 HA GLU 64 5.262 -0.643 8.331 467 HB2 GLU 64 HB2 GLU 64 4.287 -2.381 9.657 468 HB3 GLU 64 HB3 GLU 64 5.661 -3.435 9.412 469 HG2 GLU 64 HG2 GLU 64 5.740 -2.691 11.647 470 HG3 GLU 64 HG3 GLU 64 7.008 -1.832 10.784 471 H LYS 65 H LYS 65 7.423 -3.331 7.860 472 HA LYS 65 HA LYS 65 9.787 -2.292 8.949 473 HB2 LYS 65 HB2 LYS 65 9.455 -4.377 6.778 474 HB3 LYS 65 HB3 LYS 65 11.003 -3.957 7.471 475 HG2 LYS 65 HG2 LYS 65 10.292 -5.975 8.500 476 HG3 LYS 65 HG3 LYS 65 10.120 -4.708 9.702 477 HD2 LYS 65 HD2 LYS 65 8.221 -6.195 9.824 478 HD3 LYS 65 HD3 LYS 65 7.679 -4.643 9.200 479 HE2 LYS 65 HE2 LYS 65 6.653 -6.536 8.001 480 HE3 LYS 65 HE3 LYS 65 7.637 -5.548 6.930 481 HZ1 LYS 65 HZ1 LYS 65 8.652 -8.071 8.166 482 HZ2 LYS 65 HZ2 LYS 65 9.293 -7.216 6.822 483 HZ3 LYS 65 HZ3 LYS 65 7.841 -8.006 6.700 484 H VAL 66 H VAL 66 8.840 -2.428 5.510 485 HA VAL 66 HA VAL 66 11.143 -0.977 4.731 486 HB VAL 66 HB VAL 66 10.073 -2.603 3.210 487 HG11 VAL 66 HG11 VAL 66 8.131 -1.975 1.881 488 HG12 VAL 66 HG12 VAL 66 7.930 -0.528 2.873 489 HG13 VAL 66 HG13 VAL 66 7.744 -2.125 3.596 490 HG21 VAL 66 HG21 VAL 66 10.434 0.201 2.252 491 HG22 VAL 66 HG22 VAL 66 10.218 -1.161 1.167 492 HG23 VAL 66 HG23 VAL 66 11.619 -1.109 2.246 493 H LEU 67 H LEU 67 7.809 -0.042 5.373 494 HA LEU 67 HA LEU 67 7.898 2.493 4.221 495 HB2 LEU 67 HB2 LEU 67 5.806 1.481 4.842 496 HB3 LEU 67 HB3 LEU 67 6.285 1.409 6.521 497 HG LEU 67 HG LEU 67 6.110 3.827 6.725 498 HD11 LEU 67 HD11 LEU 67 5.319 5.229 4.889 499 HD12 LEU 67 HD12 LEU 67 5.289 3.828 3.821 500 HD13 LEU 67 HD13 LEU 67 6.823 4.428 4.446 501 HD21 LEU 67 HD21 LEU 67 3.702 4.053 6.375 502 HD22 LEU 67 HD22 LEU 67 4.110 2.488 7.083 503 HD23 LEU 67 HD23 LEU 67 3.717 2.606 5.365 504 H LYS 68 H LYS 68 8.456 1.493 7.571 505 HA LYS 68 HA LYS 68 9.250 4.070 8.280 506 HB2 LYS 68 HB2 LYS 68 9.466 1.449 9.710 507 HB3 LYS 68 HB3 LYS 68 10.149 2.931 10.390 508 HG2 LYS 68 HG2 LYS 68 8.025 4.010 10.377 509 HG3 LYS 68 HG3 LYS 68 7.300 2.686 9.477 510 HD2 LYS 68 HD2 LYS 68 7.595 1.215 11.383 511 HD3 LYS 68 HD3 LYS 68 8.386 2.517 12.285 512 HE2 LYS 68 HE2 LYS 68 6.403 3.804 12.369 513 HE3 LYS 68 HE3 LYS 68 5.623 2.817 11.137 514 HZ1 LYS 68 HZ1 LYS 68 6.297 1.826 13.877 515 HZ2 LYS 68 HZ2 LYS 68 5.506 1.007 12.637 516 HZ3 LYS 68 HZ3 LYS 68 4.756 2.299 13.331 517 H LYS 69 H LYS 69 11.120 1.316 7.188 518 HA LYS 69 HA LYS 69 13.710 2.284 7.608 519 HB2 LYS 69 HB2 LYS 69 13.208 0.067 6.618 520 HB3 LYS 69 HB3 LYS 69 12.665 0.861 5.148 521 HG2 LYS 69 HG2 LYS 69 15.083 1.914 5.212 522 HG3 LYS 69 HG3 LYS 69 15.434 0.499 6.196 523 HD2 LYS 69 HD2 LYS 69 15.965 -0.024 3.903 524 HD3 LYS 69 HD3 LYS 69 14.510 -0.923 4.341 525 HE2 LYS 69 HE2 LYS 69 13.106 0.660 3.171 526 HE3 LYS 69 HE3 LYS 69 14.471 1.739 2.907 527 HZ1 LYS 69 HZ1 LYS 69 14.162 -0.983 1.702 528 HZ2 LYS 69 HZ2 LYS 69 15.409 0.067 1.358 529 HZ3 LYS 69 HZ3 LYS 69 13.835 0.410 0.934 530 H TRP 70 H TRP 70 11.539 2.796 4.792 531 HA TRP 70 HA TRP 70 13.247 4.472 3.358 532 HB2 TRP 70 HB2 TRP 70 11.455 3.254 2.269 533 HB3 TRP 70 HB3 TRP 70 10.249 4.087 3.243 534 HD1 TRP 70 HD1 TRP 70 9.615 6.581 2.556 535 HE1 TRP 70 HE1 TRP 70 10.043 7.965 0.439 536 HE3 TRP 70 HE3 TRP 70 13.129 3.597 0.341 537 HZ2 TRP 70 HZ2 TRP 70 11.628 7.802 -1.875 538 HZ3 TRP 70 HZ3 TRP 70 14.043 4.285 -1.838 539 HH2 TRP 70 HH2 TRP 70 13.307 6.343 -2.922 540 H LYS 71 H LYS 71 10.373 5.208 5.277 541 HA LYS 71 HA LYS 71 10.479 7.966 4.816 542 HB2 LYS 71 HB2 LYS 71 8.659 6.248 5.706 543 HB3 LYS 71 HB3 LYS 71 9.078 7.015 7.246 544 HG2 LYS 71 HG2 LYS 71 8.524 9.197 6.223 545 HG3 LYS 71 HG3 LYS 71 8.097 8.358 4.727 546 HD2 LYS 71 HD2 LYS 71 6.415 7.035 6.085 547 HD3 LYS 71 HD3 LYS 71 6.731 8.148 7.418 548 HE2 LYS 71 HE2 LYS 71 6.049 10.039 5.917 549 HE3 LYS 71 HE3 LYS 71 5.710 8.802 4.691 550 HZ1 LYS 71 HZ1 LYS 71 4.245 8.978 7.296 551 HZ2 LYS 71 HZ2 LYS 71 4.023 7.850 6.083 552 HZ3 LYS 71 HZ3 LYS 71 3.645 9.418 5.773 553 H LYS 72 H LYS 72 12.108 6.006 7.154 554 HA LYS 72 HA LYS 72 12.850 8.228 8.834 555 HB2 LYS 72 HB2 LYS 72 12.687 5.762 9.542 556 HB3 LYS 72 HB3 LYS 72 14.213 5.537 8.713 557 HG2 LYS 72 HG2 LYS 72 14.683 5.784 11.031 558 HG3 LYS 72 HG3 LYS 72 15.196 7.275 10.238 559 HD2 LYS 72 HD2 LYS 72 13.175 8.405 10.963 560 HD3 LYS 72 HD3 LYS 72 12.543 6.907 11.644 561 HE2 LYS 72 HE2 LYS 72 14.444 6.869 13.225 562 HE3 LYS 72 HE3 LYS 72 14.993 8.409 12.568 563 HZ1 LYS 72 HZ1 LYS 72 12.385 7.931 13.905 564 HZ2 LYS 72 HZ2 LYS 72 12.909 9.416 13.296 565 HZ3 LYS 72 HZ3 LYS 72 13.713 8.706 14.603 566 H ARG 73 H ARG 73 14.317 6.346 6.201 567 HA ARG 73 HA ARG 73 16.866 7.737 6.323 568 HB2 ARG 73 HB2 ARG 73 15.745 5.500 4.741 569 HB3 ARG 73 HB3 ARG 73 17.041 6.418 4.009 570 HG2 ARG 73 HG2 ARG 73 17.768 4.340 5.191 571 HG3 ARG 73 HG3 ARG 73 18.567 5.802 5.735 572 HD2 ARG 73 HD2 ARG 73 16.213 4.570 7.177 573 HD3 ARG 73 HD3 ARG 73 17.887 4.145 7.534 574 HE ARG 73 HE ARG 73 16.806 6.867 7.757 575 HH11 ARG 73 HH11 ARG 73 18.675 4.222 9.162 576 HH12 ARG 73 HH12 ARG 73 19.341 5.127 10.436 577 HH21 ARG 73 HH21 ARG 73 17.706 8.167 9.472 578 HH22 ARG 73 HH22 ARG 73 18.770 7.487 10.616 579 H LYS 74 H LYS 74 13.948 8.167 4.547 580 HA LYS 74 HA LYS 74 15.282 10.293 3.038 581 HB2 LYS 74 HB2 LYS 74 14.625 8.429 1.556 582 HB3 LYS 74 HB3 LYS 74 12.994 8.479 2.183 583 HG2 LYS 74 HG2 LYS 74 14.203 10.815 0.703 584 HG3 LYS 74 HG3 LYS 74 13.408 9.482 -0.135 585 HD2 LYS 74 HD2 LYS 74 11.364 9.910 1.081 586 HD3 LYS 74 HD3 LYS 74 12.148 11.158 2.025 587 HE2 LYS 74 HE2 LYS 74 12.480 12.495 -0.012 588 HE3 LYS 74 HE3 LYS 74 11.652 11.248 -0.951 589 HZ1 LYS 74 HZ1 LYS 74 9.641 11.634 0.251 590 HZ2 LYS 74 HZ2 LYS 74 10.200 13.152 -0.249 591 HZ3 LYS 74 HZ3 LYS 74 10.431 12.659 1.349 592 H LYS 75 H LYS 75 14.423 12.260 3.172 593 HA LYS 75 HA LYS 75 12.065 12.635 4.878 594 HB2 LYS 75 HB2 LYS 75 14.293 14.510 4.075 595 HB3 LYS 75 HB3 LYS 75 12.894 14.975 5.022 596 HG2 LYS 75 HG2 LYS 75 14.841 12.864 5.939 597 HG3 LYS 75 HG3 LYS 75 15.082 14.573 6.266 598 HD2 LYS 75 HD2 LYS 75 13.995 14.051 8.202 599 HD3 LYS 75 HD3 LYS 75 12.572 14.302 7.211 600 HE2 LYS 75 HE2 LYS 75 13.842 11.598 7.723 601 HE3 LYS 75 HE3 LYS 75 12.529 12.259 8.677 602 HZ1 LYS 75 HZ1 LYS 75 12.482 11.435 5.833 603 HZ2 LYS 75 HZ2 LYS 75 11.218 12.287 6.518 604 HZ3 LYS 75 HZ3 LYS 75 11.642 10.747 7.081 605 H1 ALA 1 H1 ALA 1 15.238 -13.099 5.117 606 H2 ALA 1 H2 ALA 1 15.453 -14.695 4.675 607 H3 ALA 1 H3 ALA 1 16.353 -14.050 5.983 608 HA ALA 1 HA ALA 1 14.490 -15.422 6.743 609 HB1 ALA 1 HB1 ALA 1 13.391 -13.741 8.173 610 HB2 ALA 1 HB2 ALA 1 14.069 -12.455 7.176 611 HB3 ALA 1 HB3 ALA 1 15.138 -13.493 8.120 612 H ARG 2 H ARG 2 12.031 -15.468 6.920 613 HA ARG 2 HA ARG 2 10.938 -14.866 4.285 614 HB2 ARG 2 HB2 ARG 2 9.913 -16.610 6.528 615 HB3 ARG 2 HB3 ARG 2 8.986 -16.266 5.080 616 HG2 ARG 2 HG2 ARG 2 10.788 -17.310 3.735 617 HG3 ARG 2 HG3 ARG 2 11.618 -17.727 5.235 618 HD2 ARG 2 HD2 ARG 2 10.305 -19.620 4.370 619 HD3 ARG 2 HD3 ARG 2 9.709 -19.078 5.938 620 HE ARG 2 HE ARG 2 8.238 -17.711 4.076 621 HH11 ARG 2 HH11 ARG 2 8.744 -21.139 4.802 622 HH12 ARG 2 HH12 ARG 2 7.201 -21.650 4.314 623 HH21 ARG 2 HH21 ARG 2 6.067 -18.385 3.386 624 HH22 ARG 2 HH22 ARG 2 5.618 -20.012 3.478 625 H THR 3 H THR 3 11.263 -13.187 6.989 626 HA THR 3 HA THR 3 8.656 -12.263 7.505 627 HB THR 3 HB THR 3 11.227 -10.817 8.124 628 HG1 THR 3 HG1 THR 3 10.523 -12.593 10.046 629 HG21 THR 3 HG21 THR 3 8.661 -11.271 9.684 630 HG22 THR 3 HG22 THR 3 9.075 -9.794 8.817 631 HG23 THR 3 HG23 THR 3 10.027 -10.291 10.215 632 H LYS 4 H LYS 4 8.038 -11.793 5.318 633 HA LYS 4 HA LYS 4 9.359 -9.776 3.755 634 HB2 LYS 4 HB2 LYS 4 6.913 -11.464 3.376 635 HB3 LYS 4 HB3 LYS 4 7.307 -10.160 2.275 636 HG2 LYS 4 HG2 LYS 4 9.218 -12.391 2.888 637 HG3 LYS 4 HG3 LYS 4 8.018 -12.486 1.597 638 HD2 LYS 4 HD2 LYS 4 8.931 -10.507 0.558 639 HD3 LYS 4 HD3 LYS 4 10.174 -10.351 1.822 640 HE2 LYS 4 HE2 LYS 4 11.173 -11.402 -0.096 641 HE3 LYS 4 HE3 LYS 4 10.956 -12.655 1.124 642 HZ1 LYS 4 HZ1 LYS 4 8.872 -13.290 -0.050 643 HZ2 LYS 4 HZ2 LYS 4 10.191 -13.427 -1.120 644 HZ3 LYS 4 HZ3 LYS 4 9.155 -12.108 -1.153 645 H GLN 5 H GLN 5 8.181 -8.020 2.837 646 HA GLN 5 HA GLN 5 6.340 -6.661 4.673 647 HB2 GLN 5 HB2 GLN 5 7.801 -5.799 2.171 648 HB3 GLN 5 HB3 GLN 5 6.616 -4.824 3.007 649 HG2 GLN 5 HG2 GLN 5 8.787 -4.117 3.299 650 HG3 GLN 5 HG3 GLN 5 8.080 -4.580 4.852 651 HE21 GLN 5 HE21 GLN 5 10.507 -5.321 2.434 652 HE22 GLN 5 HE22 GLN 5 11.413 -6.424 3.379 653 H THR 6 H THR 6 4.149 -6.561 3.898 654 HA THR 6 HA THR 6 3.919 -6.870 1.058 655 HB THR 6 HB THR 6 2.184 -8.437 1.108 656 HG1 THR 6 HG1 THR 6 1.153 -9.094 3.078 657 HG21 THR 6 HG21 THR 6 4.314 -9.605 1.397 658 HG22 THR 6 HG22 THR 6 3.044 -10.484 2.240 659 HG23 THR 6 HG23 THR 6 4.166 -9.476 3.147 660 H ALA 7 H ALA 7 1.749 -5.960 0.350 661 HA ALA 7 HA ALA 7 0.432 -4.325 2.318 662 HB1 ALA 7 HB1 ALA 7 1.782 -3.136 -0.127 663 HB2 ALA 7 HB2 ALA 7 2.219 -2.826 1.548 664 HB3 ALA 7 HB3 ALA 7 0.661 -2.275 0.929 665 H ARG 8 H ARG 8 -1.361 -3.118 0.948 666 HA ARG 8 HA ARG 8 -2.939 -5.288 0.125 667 HB2 ARG 8 HB2 ARG 8 -3.507 -2.368 -0.176 668 HB3 ARG 8 HB3 ARG 8 -4.619 -3.641 -0.590 669 HG2 ARG 8 HG2 ARG 8 -4.473 -4.435 1.797 670 HG3 ARG 8 HG3 ARG 8 -3.603 -2.929 2.141 671 HD2 ARG 8 HD2 ARG 8 -6.026 -2.749 2.553 672 HD3 ARG 8 HD3 ARG 8 -5.430 -1.612 1.341 673 HE ARG 8 HE ARG 8 -6.778 -4.159 0.654 674 HH11 ARG 8 HH11 ARG 8 -6.276 -0.722 0.049 675 HH12 ARG 8 HH12 ARG 8 -7.391 -0.587 -1.227 676 HH21 ARG 8 HH21 ARG 8 -8.235 -4.084 -1.069 677 HH22 ARG 8 HH22 ARG 8 -8.639 -2.652 -1.882 678 H M3L 9 H M3L 9 -1.939 -2.524 -1.862 679 HA M3L 9 HA M3L 9 -1.864 -2.173 -4.036 680 HB2 M3L 9 1HB M3L 9 -1.015 -4.485 -4.474 681 HB3 M3L 9 2HB M3L 9 -2.685 -5.000 -4.666 682 HG2 M3L 9 1HG M3L 9 -1.720 -2.703 -6.289 683 HG3 M3L 9 2HG M3L 9 -2.957 -3.906 -6.657 684 HD2 M3L 9 1HD M3L 9 -0.417 -3.872 -7.649 685 HD3 M3L 9 2HD M3L 9 -0.270 -5.018 -6.325 686 HE2 M3L 9 1HE M3L 9 -2.253 -5.104 -8.585 687 HE3 M3L 9 2HE M3L 9 -2.296 -6.216 -7.230 688 HM11 M3L 9 1HM1 M3L 9 -0.652 -8.330 -9.883 689 HM12 M3L 9 2HM1 M3L 9 -1.830 -8.290 -8.570 690 HM13 M3L 9 3HM1 M3L 9 -2.071 -7.344 -9.993 691 HM21 M3L 9 1HM2 M3L 9 1.061 -7.717 -8.219 692 HM22 M3L 9 2HM2 M3L 9 0.140 -7.270 -6.796 693 HM23 M3L 9 3HM2 M3L 9 1.203 -6.113 -7.537 694 HM31 M3L 9 3HM3 M3L 9 0.987 -5.714 -10.014 695 HM32 M3L 9 1HM3 M3L 9 -0.554 -5.590 -10.690 696 HM33 M3L 9 2HM3 M3L 9 -0.083 -4.482 -9.492 697 H SER 10 H SER 10 -3.422 -0.903 -3.246 698 HA SER 10 HA SER 10 -6.092 -1.499 -2.864 699 HB2 SER 10 HB2 SER 10 -4.848 0.510 -2.060 700 HB3 SER 10 HB3 SER 10 -5.025 1.191 -3.676 701 HG SER 10 HG SER 10 -6.888 1.806 -3.100 702 H THR 11 H THR 11 -7.056 -2.526 -4.572 703 HA THR 11 HA THR 11 -6.970 -1.400 -7.203 704 HB THR 11 HB THR 11 -8.588 -3.727 -6.110 705 HG1 THR 11 HG1 THR 11 -6.221 -3.941 -6.006 706 HG21 THR 11 HG21 THR 11 -8.760 -4.408 -8.475 707 HG22 THR 11 HG22 THR 11 -7.877 -2.961 -8.960 708 HG23 THR 11 HG23 THR 11 -9.476 -2.814 -8.233 709 H GLY 12 H GLY 12 -8.010 0.459 -7.339 710 HA2 GLY 12 HA2 GLY 12 -10.807 0.603 -7.266 711 HA3 GLY 12 HA3 GLY 12 -10.138 1.360 -5.819 712 H GLY 13 H GLY 13 -9.593 3.464 -5.975 713 HA2 GLY 13 HA2 GLY 13 -8.280 4.513 -8.215 714 HA3 GLY 13 HA3 GLY 13 -9.990 4.934 -8.255 715 H LYS 14 H LYS 14 -8.595 7.041 -8.122 716 HA LYS 14 HA LYS 14 -9.135 8.180 -5.595 717 HB2 LYS 14 HB2 LYS 14 -6.899 9.043 -5.144 718 HB3 LYS 14 HB3 LYS 14 -6.851 7.290 -5.116 719 HG2 LYS 14 HG2 LYS 14 -5.725 7.180 -7.196 720 HG3 LYS 14 HG3 LYS 14 -6.072 8.868 -7.561 721 HD2 LYS 14 HD2 LYS 14 -4.277 7.912 -5.317 722 HD3 LYS 14 HD3 LYS 14 -3.711 8.484 -6.885 723 HE2 LYS 14 HE2 LYS 14 -4.818 10.675 -6.434 724 HE3 LYS 14 HE3 LYS 14 -5.252 10.093 -4.832 725 HZ1 LYS 14 HZ1 LYS 14 -2.883 9.831 -4.346 726 HZ2 LYS 14 HZ2 LYS 14 -3.249 11.406 -4.688 727 HZ3 LYS 14 HZ3 LYS 14 -2.480 10.434 -5.842 728 H ALA 15 H ALA 15 -8.740 10.551 -5.780 729 HA ALA 15 HA ALA 15 -9.610 11.602 -8.212 730 HB1 ALA 15 HB1 ALA 15 -9.045 13.794 -7.248 731 HB2 ALA 15 HB2 ALA 15 -8.122 12.995 -5.977 732 HB3 ALA 15 HB3 ALA 15 -9.869 12.774 -6.068 733 HA PRO 16 HA PRO 16 -5.567 11.606 -10.195 734 HB2 PRO 16 HB2 PRO 16 -6.429 11.682 -12.710 735 HB3 PRO 16 HB3 PRO 16 -6.740 10.242 -11.719 736 HG2 PRO 16 HG2 PRO 16 -8.607 12.386 -12.522 737 HG3 PRO 16 HG3 PRO 16 -8.906 10.657 -12.268 738 HD2 PRO 16 HD2 PRO 16 -9.424 12.722 -10.416 739 HD3 PRO 16 HD3 PRO 16 -9.453 10.971 -10.117 740 H ARG 17 H ARG 17 -5.167 13.029 -12.563 741 HA ARG 17 HA ARG 17 -5.888 15.789 -12.059 742 HB2 ARG 17 HB2 ARG 17 -3.561 16.520 -12.412 743 HB3 ARG 17 HB3 ARG 17 -3.705 15.564 -10.947 744 HG2 ARG 17 HG2 ARG 17 -2.517 13.780 -11.836 745 HG3 ARG 17 HG3 ARG 17 -2.899 14.227 -13.498 746 HD2 ARG 17 HD2 ARG 17 -1.095 15.832 -11.685 747 HD3 ARG 17 HD3 ARG 17 -0.514 14.636 -12.847 748 HE ARG 17 HE ARG 17 -1.931 16.145 -14.475 749 HH11 ARG 17 HH11 ARG 17 0.404 17.196 -12.044 750 HH12 ARG 17 HH12 ARG 17 0.695 18.707 -12.794 751 HH21 ARG 17 HH21 ARG 17 -1.643 18.123 -15.425 752 HH22 ARG 17 HH22 ARG 17 -0.530 19.271 -14.858 753 H TYR 18 H TYR 18 -4.989 17.075 -13.998 754 HA TYR 18 HA TYR 18 -4.983 15.418 -16.386 755 HB2 TYR 18 HB2 TYR 18 -6.899 17.075 -16.195 756 HB3 TYR 18 HB3 TYR 18 -5.711 18.364 -16.092 757 HD1 TYR 18 HD2 TYR 18 -7.070 15.729 -18.309 758 HD2 TYR 18 HD1 TYR 18 -4.740 19.281 -18.067 759 HE1 TYR 18 HE2 TYR 18 -7.068 15.890 -20.764 760 HE2 TYR 18 HE1 TYR 18 -4.733 19.449 -20.517 761 HH TYR 18 HH TYR 18 -5.001 17.974 -22.449 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -13.664 -45.790 25.173 2 H2 MET 1 H2 MET 1 -12.221 -46.532 25.723 3 H3 MET 1 H3 MET 1 -12.236 -44.927 25.133 4 HA MET 1 HA MET 1 -13.737 -45.715 27.511 5 HB2 MET 1 HB2 MET 1 -12.032 -44.519 28.800 6 HB3 MET 1 HB3 MET 1 -11.264 -45.816 27.900 7 HG2 MET 1 HG2 MET 1 -10.463 -44.207 26.244 8 HG3 MET 1 HG3 MET 1 -11.271 -42.905 27.109 9 HE1 MET 1 HE1 MET 1 -7.629 -45.236 28.754 10 HE2 MET 1 HE2 MET 1 -8.338 -45.527 27.165 11 HE3 MET 1 HE3 MET 1 -9.223 -45.975 28.623 12 H VAL 2 H VAL 2 -14.272 -43.542 28.671 13 HA VAL 2 HA VAL 2 -15.389 -41.821 26.691 14 HB VAL 2 HB VAL 2 -16.237 -40.492 28.647 15 HG11 VAL 2 HG11 VAL 2 -17.780 -42.201 29.509 16 HG12 VAL 2 HG12 VAL 2 -16.764 -43.457 28.802 17 HG13 VAL 2 HG13 VAL 2 -17.590 -42.302 27.758 18 HG21 VAL 2 HG21 VAL 2 -14.411 -40.924 30.233 19 HG22 VAL 2 HG22 VAL 2 -14.880 -42.622 30.319 20 HG23 VAL 2 HG23 VAL 2 -15.967 -41.375 30.929 21 H SER 3 H SER 3 -14.620 -39.903 26.015 22 HA SER 3 HA SER 3 -12.423 -38.614 27.359 23 HB2 SER 3 HB2 SER 3 -12.134 -39.612 24.501 24 HB3 SER 3 HB3 SER 3 -10.921 -38.755 25.450 25 HG SER 3 HG SER 3 -11.374 -40.703 26.935 26 H VAL 4 H VAL 4 -12.262 -36.434 26.581 27 HA VAL 4 HA VAL 4 -14.605 -35.606 25.076 28 HB VAL 4 HB VAL 4 -14.087 -33.306 25.834 29 HG11 VAL 4 HG11 VAL 4 -14.571 -33.598 28.222 30 HG12 VAL 4 HG12 VAL 4 -14.167 -35.309 28.079 31 HG13 VAL 4 HG13 VAL 4 -15.554 -34.656 27.207 32 HG21 VAL 4 HG21 VAL 4 -11.656 -33.481 25.990 33 HG22 VAL 4 HG22 VAL 4 -11.806 -34.570 27.368 34 HG23 VAL 4 HG23 VAL 4 -12.332 -32.891 27.511 35 H LYS 5 H LYS 5 -14.468 -34.631 23.138 36 HA LYS 5 HA LYS 5 -11.787 -34.505 22.002 37 HB2 LYS 5 HB2 LYS 5 -14.437 -35.047 20.609 38 HB3 LYS 5 HB3 LYS 5 -12.950 -34.718 19.747 39 HG2 LYS 5 HG2 LYS 5 -13.285 -37.073 19.700 40 HG3 LYS 5 HG3 LYS 5 -11.970 -36.771 20.829 41 HD2 LYS 5 HD2 LYS 5 -13.574 -36.989 22.702 42 HD3 LYS 5 HD3 LYS 5 -14.852 -37.347 21.542 43 HE2 LYS 5 HE2 LYS 5 -12.342 -38.979 21.951 44 HE3 LYS 5 HE3 LYS 5 -13.938 -39.386 22.573 45 HZ1 LYS 5 HZ1 LYS 5 -14.741 -39.537 20.298 46 HZ2 LYS 5 HZ2 LYS 5 -13.444 -40.594 20.549 47 HZ3 LYS 5 HZ3 LYS 5 -13.202 -39.147 19.707 48 HA PRO 6 HA PRO 6 -12.929 -30.230 21.200 49 HB2 PRO 6 HB2 PRO 6 -10.911 -29.746 19.293 50 HB3 PRO 6 HB3 PRO 6 -10.727 -29.568 21.048 51 HG2 PRO 6 HG2 PRO 6 -9.412 -31.441 19.437 52 HG3 PRO 6 HG3 PRO 6 -9.471 -31.416 21.207 53 HD2 PRO 6 HD2 PRO 6 -11.048 -33.057 19.302 54 HD3 PRO 6 HD3 PRO 6 -10.505 -33.425 20.953 55 H LEU 7 H LEU 7 -14.693 -29.733 19.971 56 HA LEU 7 HA LEU 7 -14.737 -30.731 17.239 57 HB2 LEU 7 HB2 LEU 7 -17.002 -29.791 19.019 58 HB3 LEU 7 HB3 LEU 7 -17.205 -30.168 17.327 59 HG LEU 7 HG LEU 7 -18.044 -32.004 18.502 60 HD11 LEU 7 HD11 LEU 7 -16.740 -32.666 16.613 61 HD12 LEU 7 HD12 LEU 7 -16.640 -33.879 17.888 62 HD13 LEU 7 HD13 LEU 7 -15.290 -32.780 17.612 63 HD21 LEU 7 HD21 LEU 7 -17.119 -31.583 20.709 64 HD22 LEU 7 HD22 LEU 7 -15.518 -32.071 20.153 65 HD23 LEU 7 HD23 LEU 7 -16.821 -33.256 20.235 66 HA PRO 8 HA PRO 8 -14.797 -26.408 16.091 67 HB2 PRO 8 HB2 PRO 8 -15.099 -26.753 13.399 68 HB3 PRO 8 HB3 PRO 8 -13.577 -27.094 14.248 69 HG2 PRO 8 HG2 PRO 8 -15.330 -28.979 12.972 70 HG3 PRO 8 HG3 PRO 8 -13.771 -29.275 13.762 71 HD2 PRO 8 HD2 PRO 8 -16.496 -29.636 14.839 72 HD3 PRO 8 HD3 PRO 8 -14.963 -30.382 15.340 73 H ASP 9 H ASP 9 -16.876 -25.943 17.138 74 HA ASP 9 HA ASP 9 -19.308 -26.112 15.585 75 HB2 ASP 9 HB2 ASP 9 -18.711 -24.421 18.041 76 HB3 ASP 9 HB3 ASP 9 -20.304 -24.840 17.428 77 H ILE 10 H ILE 10 -16.893 -23.825 16.443 78 HA ILE 10 HA ILE 10 -17.878 -21.932 14.432 79 HB ILE 10 HB ILE 10 -15.724 -21.504 16.549 80 HG12 ILE 10 HG12 ILE 10 -18.568 -20.448 16.491 81 HG13 ILE 10 HG13 ILE 10 -17.998 -21.742 17.536 82 HG21 ILE 10 HG21 ILE 10 -15.445 -20.165 14.505 83 HG22 ILE 10 HG22 ILE 10 -15.844 -19.136 15.886 84 HG23 ILE 10 HG23 ILE 10 -17.078 -19.538 14.687 85 HD11 ILE 10 HD11 ILE 10 -17.055 -18.879 17.590 86 HD12 ILE 10 HD12 ILE 10 -16.489 -20.172 18.649 87 HD13 ILE 10 HD13 ILE 10 -18.166 -19.632 18.735 88 H ASP 11 H ASP 11 -16.488 -21.528 12.664 89 HA ASP 11 HA ASP 11 -14.577 -23.578 12.176 90 HB2 ASP 11 HB2 ASP 11 -15.957 -22.580 10.377 91 HB3 ASP 11 HB3 ASP 11 -15.083 -21.073 10.573 92 H SER 12 H SER 12 -12.506 -23.494 12.192 93 HA SER 12 HA SER 12 -11.246 -21.253 13.588 94 HB2 SER 12 HB2 SER 12 -11.153 -23.414 14.773 95 HB3 SER 12 HB3 SER 12 -10.348 -24.140 13.384 96 HG SER 12 HG SER 12 -8.912 -22.095 13.890 97 H ASN 13 H ASN 13 -11.543 -22.675 10.535 98 HA ASN 13 HA ASN 13 -8.815 -22.360 9.741 99 HB2 ASN 13 HB2 ASN 13 -10.099 -24.165 8.766 100 HB3 ASN 13 HB3 ASN 13 -11.303 -23.033 8.164 101 HD21 ASN 13 HD21 ASN 13 -10.841 -21.829 6.387 102 HD22 ASN 13 HD22 ASN 13 -9.493 -22.141 5.327 103 H GLU 14 H GLU 14 -8.103 -20.346 9.702 104 HA GLU 14 HA GLU 14 -9.684 -18.297 8.395 105 HB2 GLU 14 HB2 GLU 14 -6.958 -18.153 9.714 106 HB3 GLU 14 HB3 GLU 14 -7.821 -16.784 9.033 107 HG2 GLU 14 HG2 GLU 14 -9.623 -17.133 10.667 108 HG3 GLU 14 HG3 GLU 14 -8.698 -18.454 11.380 109 H GLY 15 H GLY 15 -8.465 -16.944 6.767 110 HA2 GLY 15 HA2 GLY 15 -7.087 -18.826 4.971 111 HA3 GLY 15 HA3 GLY 15 -8.182 -17.571 4.409 112 H GLU 16 H GLU 16 -6.623 -16.706 3.061 113 HA GLU 16 HA GLU 16 -4.418 -15.449 4.420 114 HB2 GLU 16 HB2 GLU 16 -3.431 -15.306 2.030 115 HB3 GLU 16 HB3 GLU 16 -3.362 -16.836 2.877 116 HG2 GLU 16 HG2 GLU 16 -3.945 -17.023 0.469 117 HG3 GLU 16 HG3 GLU 16 -5.143 -17.727 1.549 118 H THR 17 H THR 17 -3.824 -13.341 3.715 119 HA THR 17 HA THR 17 -6.207 -11.841 2.938 120 HB THR 17 HB THR 17 -3.578 -10.680 3.898 121 HG1 THR 17 HG1 THR 17 -5.434 -12.230 5.194 122 HG21 THR 17 HG21 THR 17 -5.042 -8.894 4.736 123 HG22 THR 17 HG22 THR 17 -6.463 -9.785 4.192 124 HG23 THR 17 HG23 THR 17 -5.323 -9.139 3.012 125 H ASP 18 H ASP 18 -3.619 -13.317 1.574 126 HA ASP 18 HA ASP 18 -2.323 -11.468 -0.037 127 HB2 ASP 18 HB2 ASP 18 -2.619 -14.454 -0.276 128 HB3 ASP 18 HB3 ASP 18 -1.597 -13.500 -1.347 129 H ALA 19 H ALA 19 -5.278 -13.235 -0.636 130 HA ALA 19 HA ALA 19 -5.677 -12.732 -3.307 131 HB1 ALA 19 HB1 ALA 19 -8.076 -12.765 -2.840 132 HB2 ALA 19 HB2 ALA 19 -7.755 -12.488 -1.129 133 HB3 ALA 19 HB3 ALA 19 -7.240 -13.993 -1.888 134 H ASP 20 H ASP 20 -5.735 -10.423 -0.696 135 HA ASP 20 HA ASP 20 -6.281 -8.276 -2.641 136 HB2 ASP 20 HB2 ASP 20 -8.197 -8.497 -1.104 137 HB3 ASP 20 HB3 ASP 20 -7.127 -8.421 0.282 138 H VAL 21 H VAL 21 -3.787 -9.647 -1.411 139 HA VAL 21 HA VAL 21 -2.328 -7.218 -0.721 140 HB VAL 21 HB VAL 21 -2.465 -9.668 1.079 141 HG11 VAL 21 HG11 VAL 21 -0.141 -8.983 0.879 142 HG12 VAL 21 HG12 VAL 21 -0.773 -8.594 2.482 143 HG13 VAL 21 HG13 VAL 21 -0.584 -7.323 1.272 144 HG21 VAL 21 HG21 VAL 21 -2.986 -6.761 1.665 145 HG22 VAL 21 HG22 VAL 21 -3.174 -8.125 2.784 146 HG23 VAL 21 HG23 VAL 21 -4.201 -7.997 1.349 147 H TYR 22 H TYR 22 -0.526 -7.152 -1.838 148 HA TYR 22 HA TYR 22 0.584 -9.666 -2.913 149 HB2 TYR 22 HB2 TYR 22 0.797 -6.839 -3.966 150 HB3 TYR 22 HB3 TYR 22 1.665 -8.212 -4.636 151 HD1 TYR 22 HD2 TYR 22 -1.608 -6.625 -4.233 152 HD2 TYR 22 HD1 TYR 22 0.544 -9.831 -5.993 153 HE1 TYR 22 HE2 TYR 22 -3.514 -7.096 -5.694 154 HE2 TYR 22 HE1 TYR 22 -1.357 -10.328 -7.445 155 HH TYR 22 HH TYR 22 -3.853 -9.922 -7.423 156 H GLU 23 H GLU 23 2.994 -9.633 -3.117 157 HA GLU 23 HA GLU 23 4.090 -8.796 -0.662 158 HB2 GLU 23 HB2 GLU 23 5.145 -10.220 -2.979 159 HB3 GLU 23 HB3 GLU 23 6.284 -9.603 -1.767 160 HG2 GLU 23 HG2 GLU 23 5.155 -10.870 -0.096 161 HG3 GLU 23 HG3 GLU 23 3.964 -11.423 -1.268 162 H VAL 24 H VAL 24 5.506 -7.546 -0.220 163 HA VAL 24 HA VAL 24 6.116 -5.355 -2.084 164 HB VAL 24 HB VAL 24 6.056 -5.238 0.956 165 HG11 VAL 24 HG11 VAL 24 6.790 -3.080 -1.038 166 HG12 VAL 24 HG12 VAL 24 7.895 -3.837 0.118 167 HG13 VAL 24 HG13 VAL 24 6.551 -2.840 0.690 168 HG21 VAL 24 HG21 VAL 24 4.286 -3.605 0.581 169 HG22 VAL 24 HG22 VAL 24 3.880 -5.175 -0.111 170 HG23 VAL 24 HG23 VAL 24 4.421 -3.864 -1.155 171 H GLU 25 H GLU 25 7.997 -5.530 -2.973 172 HA GLU 25 HA GLU 25 10.056 -7.056 -1.740 173 HB2 GLU 25 HB2 GLU 25 9.551 -6.748 -4.278 174 HB3 GLU 25 HB3 GLU 25 10.375 -5.216 -4.123 175 HG2 GLU 25 HG2 GLU 25 11.819 -7.663 -3.206 176 HG3 GLU 25 HG3 GLU 25 11.618 -7.432 -4.935 177 H ASP 26 H ASP 26 9.644 -3.558 -2.510 178 HA ASP 26 HA ASP 26 10.476 -2.582 -0.049 179 HB2 ASP 26 HB2 ASP 26 12.764 -3.469 -0.825 180 HB3 ASP 26 HB3 ASP 26 12.683 -2.312 -2.145 181 H ILE 27 H ILE 27 11.300 -0.025 -0.616 182 HA ILE 27 HA ILE 27 8.981 0.920 -2.185 183 HB ILE 27 HB ILE 27 10.595 2.583 -0.217 184 HG12 ILE 27 HG12 ILE 27 9.734 0.628 1.032 185 HG13 ILE 27 HG13 ILE 27 8.929 2.109 1.524 186 HG21 ILE 27 HG21 ILE 27 9.195 3.840 -1.739 187 HG22 ILE 27 HG22 ILE 27 8.565 3.947 -0.099 188 HG23 ILE 27 HG23 ILE 27 7.789 2.887 -1.272 189 HD11 ILE 27 HD11 ILE 27 7.807 -0.009 -0.301 190 HD12 ILE 27 HD12 ILE 27 6.987 1.480 0.175 191 HD13 ILE 27 HD13 ILE 27 7.377 0.262 1.389 192 H LEU 28 H LEU 28 9.308 2.492 -3.781 193 HA LEU 28 HA LEU 28 12.099 2.836 -4.613 194 HB2 LEU 28 HB2 LEU 28 9.571 3.166 -6.223 195 HB3 LEU 28 HB3 LEU 28 11.194 3.401 -6.830 196 HG LEU 28 HG LEU 28 10.052 0.796 -5.837 197 HD11 LEU 28 HD11 LEU 28 10.137 0.130 -8.188 198 HD12 LEU 28 HD12 LEU 28 10.669 1.753 -8.626 199 HD13 LEU 28 HD13 LEU 28 9.063 1.507 -7.941 200 HD21 LEU 28 HD21 LEU 28 12.453 0.914 -5.445 201 HD22 LEU 28 HD22 LEU 28 12.715 1.437 -7.107 202 HD23 LEU 28 HD23 LEU 28 12.108 -0.186 -6.780 203 H ALA 29 H ALA 29 9.289 4.693 -3.610 204 HA ALA 29 HA ALA 29 10.798 7.042 -3.192 205 HB1 ALA 29 HB1 ALA 29 10.684 7.231 -5.653 206 HB2 ALA 29 HB2 ALA 29 9.791 8.530 -4.862 207 HB3 ALA 29 HB3 ALA 29 8.924 7.167 -5.568 208 H ASP 30 H ASP 30 9.119 8.991 -2.911 209 HA ASP 30 HA ASP 30 6.699 7.996 -1.551 210 HB2 ASP 30 HB2 ASP 30 7.071 9.583 0.252 211 HB3 ASP 30 HB3 ASP 30 8.456 8.504 0.138 212 H ARG 31 H ARG 31 4.984 9.609 -1.415 213 HA ARG 31 HA ARG 31 5.424 12.233 -2.329 214 HB2 ARG 31 HB2 ARG 31 5.146 10.718 -4.464 215 HB3 ARG 31 HB3 ARG 31 3.440 10.799 -4.051 216 HG2 ARG 31 HG2 ARG 31 4.076 12.492 -5.721 217 HG3 ARG 31 HG3 ARG 31 3.470 13.221 -4.236 218 HD2 ARG 31 HD2 ARG 31 6.432 12.820 -4.600 219 HD3 ARG 31 HD3 ARG 31 5.642 14.174 -5.392 220 HE ARG 31 HE ARG 31 5.058 15.039 -3.231 221 HH11 ARG 31 HH11 ARG 31 7.415 12.374 -3.032 222 HH12 ARG 31 HH12 ARG 31 8.022 12.788 -1.529 223 HH21 ARG 31 HH21 ARG 31 6.073 15.735 -1.121 224 HH22 ARG 31 HH22 ARG 31 7.323 14.763 -0.492 225 H VAL 32 H VAL 32 3.338 13.508 -2.324 226 HA VAL 32 HA VAL 32 1.324 12.353 -0.567 227 HB VAL 32 HB VAL 32 2.601 15.064 -0.025 228 HG11 VAL 32 HG11 VAL 32 1.299 15.053 2.054 229 HG12 VAL 32 HG12 VAL 32 0.559 13.527 1.570 230 HG13 VAL 32 HG13 VAL 32 0.269 14.985 0.624 231 HG21 VAL 32 HG21 VAL 32 2.931 12.507 1.552 232 HG22 VAL 32 HG22 VAL 32 3.530 14.092 2.042 233 HG23 VAL 32 HG23 VAL 32 4.178 13.310 0.599 234 H ASN 33 H ASN 33 -0.664 13.058 -1.026 235 HA ASN 33 HA ASN 33 -1.197 14.642 -3.403 236 HB2 ASN 33 HB2 ASN 33 -3.064 13.489 -1.312 237 HB3 ASN 33 HB3 ASN 33 -3.595 14.327 -2.754 238 HD21 ASN 33 HD21 ASN 33 -2.178 11.485 -1.443 239 HD22 ASN 33 HD22 ASN 33 -2.306 10.493 -2.803 240 H LYS 34 H LYS 34 -3.082 16.259 -3.118 241 HA LYS 34 HA LYS 34 -2.406 18.026 -0.920 242 HB2 LYS 34 HB2 LYS 34 -4.056 18.527 -3.419 243 HB3 LYS 34 HB3 LYS 34 -3.905 19.705 -2.119 244 HG2 LYS 34 HG2 LYS 34 -2.332 20.345 -3.775 245 HG3 LYS 34 HG3 LYS 34 -1.402 19.613 -2.472 246 HD2 LYS 34 HD2 LYS 34 -1.650 17.433 -3.907 247 HD3 LYS 34 HD3 LYS 34 -1.990 18.560 -5.219 248 HE2 LYS 34 HE2 LYS 34 0.355 18.049 -5.238 249 HE3 LYS 34 HE3 LYS 34 0.156 19.714 -4.687 250 HZ1 LYS 34 HZ1 LYS 34 0.375 18.907 -2.384 251 HZ2 LYS 34 HZ2 LYS 34 1.751 18.578 -3.301 252 HZ3 LYS 34 HZ3 LYS 34 0.655 17.338 -2.954 253 H ASN 35 H ASN 35 -4.665 15.785 -1.914 254 HA ASN 35 HA ASN 35 -6.943 16.565 -0.457 255 HB2 ASN 35 HB2 ASN 35 -6.140 13.770 -1.309 256 HB3 ASN 35 HB3 ASN 35 -7.751 14.282 -0.837 257 HD21 ASN 35 HD21 ASN 35 -8.708 13.701 -2.764 258 HD22 ASN 35 HD22 ASN 35 -8.382 14.522 -4.250 259 H GLY 36 H GLY 36 -3.977 15.117 0.499 260 HA2 GLY 36 HA2 GLY 36 -3.430 15.155 2.852 261 HA3 GLY 36 HA3 GLY 36 -5.100 14.735 3.190 262 H ILE 37 H ILE 37 -3.559 13.035 0.612 263 HA ILE 37 HA ILE 37 -3.247 10.700 2.377 264 HB ILE 37 HB ILE 37 -3.851 10.766 -0.606 265 HG12 ILE 37 HG12 ILE 37 -5.913 9.360 0.248 266 HG13 ILE 37 HG13 ILE 37 -5.502 10.177 1.759 267 HG21 ILE 37 HG21 ILE 37 -3.496 8.386 1.172 268 HG22 ILE 37 HG22 ILE 37 -2.425 8.920 -0.132 269 HG23 ILE 37 HG23 ILE 37 -4.062 8.354 -0.502 270 HD11 ILE 37 HD11 ILE 37 -5.849 12.326 0.729 271 HD12 ILE 37 HD12 ILE 37 -7.287 11.312 0.531 272 HD13 ILE 37 HD13 ILE 37 -6.167 11.539 -0.817 273 H ASN 38 H ASN 38 -1.159 9.854 2.488 274 HA ASN 38 HA ASN 38 0.768 10.820 0.575 275 HB2 ASN 38 HB2 ASN 38 2.381 9.794 2.172 276 HB3 ASN 38 HB3 ASN 38 1.404 11.068 2.890 277 HD21 ASN 38 HD21 ASN 38 2.813 8.824 4.090 278 HD22 ASN 38 HD22 ASN 38 1.610 7.975 4.998 279 H GLU 39 H GLU 39 1.900 9.369 -0.728 280 HA GLU 39 HA GLU 39 1.323 6.562 -0.420 281 HB2 GLU 39 HB2 GLU 39 1.034 6.227 -2.867 282 HB3 GLU 39 HB3 GLU 39 -0.288 7.082 -2.107 283 HG2 GLU 39 HG2 GLU 39 1.899 8.549 -3.500 284 HG3 GLU 39 HG3 GLU 39 0.538 7.842 -4.388 285 H TYR 40 H TYR 40 2.703 5.222 -1.767 286 HA TYR 40 HA TYR 40 5.315 6.493 -2.162 287 HB2 TYR 40 HB2 TYR 40 4.887 3.903 -0.658 288 HB3 TYR 40 HB3 TYR 40 6.428 4.694 -0.974 289 HD1 TYR 40 HD1 TYR 40 3.346 4.805 0.891 290 HD2 TYR 40 HD2 TYR 40 7.124 6.587 0.327 291 HE1 TYR 40 HE1 TYR 40 3.061 6.071 3.017 292 HE2 TYR 40 HE2 TYR 40 6.872 7.867 2.414 293 HH TYR 40 HH TYR 40 4.275 7.225 4.611 294 H TYR 41 H TYR 41 6.625 5.376 -3.539 295 HA TYR 41 HA TYR 41 5.218 3.933 -5.609 296 HB2 TYR 41 HB2 TYR 41 7.137 5.691 -5.835 297 HB3 TYR 41 HB3 TYR 41 8.202 4.357 -5.440 298 HD1 TYR 41 HD2 TYR 41 6.143 2.442 -7.106 299 HD2 TYR 41 HD1 TYR 41 8.411 5.937 -7.936 300 HE1 TYR 41 HE2 TYR 41 6.165 1.863 -9.485 301 HE2 TYR 41 HE1 TYR 41 8.446 5.354 -10.322 302 HH TYR 41 HH TYR 41 6.467 2.857 -11.616 303 H ILE 42 H ILE 42 4.778 1.847 -5.111 304 HA ILE 42 HA ILE 42 6.597 0.423 -3.326 305 HB ILE 42 HB ILE 42 3.881 -0.506 -4.275 306 HG12 ILE 42 HG12 ILE 42 3.561 1.639 -3.125 307 HG13 ILE 42 HG13 ILE 42 2.953 0.317 -2.140 308 HG21 ILE 42 HG21 ILE 42 3.966 -1.921 -2.267 309 HG22 ILE 42 HG22 ILE 42 5.567 -1.284 -1.893 310 HG23 ILE 42 HG23 ILE 42 5.319 -2.242 -3.354 311 HD11 ILE 42 HD11 ILE 42 4.101 1.948 -0.786 312 HD12 ILE 42 HD12 ILE 42 5.556 1.778 -1.766 313 HD13 ILE 42 HD13 ILE 42 4.994 0.426 -0.780 314 H LYS 43 H LYS 43 7.791 -1.237 -4.000 315 HA LYS 43 HA LYS 43 7.606 -2.053 -6.770 316 HB2 LYS 43 HB2 LYS 43 9.772 -1.311 -6.005 317 HB3 LYS 43 HB3 LYS 43 9.673 -2.331 -4.588 318 HG2 LYS 43 HG2 LYS 43 9.918 -4.307 -5.998 319 HG3 LYS 43 HG3 LYS 43 9.967 -3.277 -7.427 320 HD2 LYS 43 HD2 LYS 43 12.226 -4.036 -6.534 321 HD3 LYS 43 HD3 LYS 43 12.041 -2.302 -6.788 322 HE2 LYS 43 HE2 LYS 43 11.865 -1.870 -4.482 323 HE3 LYS 43 HE3 LYS 43 11.498 -3.544 -4.094 324 HZ1 LYS 43 HZ1 LYS 43 14.181 -2.516 -4.955 325 HZ2 LYS 43 HZ2 LYS 43 13.694 -4.140 -4.717 326 HZ3 LYS 43 HZ3 LYS 43 13.703 -3.138 -3.426 327 H TRP 44 H TRP 44 6.012 -3.539 -6.912 328 HA TRP 44 HA TRP 44 5.454 -5.342 -4.777 329 HB2 TRP 44 HB2 TRP 44 4.079 -5.235 -7.492 330 HB3 TRP 44 HB3 TRP 44 3.576 -6.084 -6.055 331 HD1 TRP 44 HD1 TRP 44 3.625 -2.607 -7.542 332 HE1 TRP 44 HE1 TRP 44 2.221 -1.064 -6.045 333 HE3 TRP 44 HE3 TRP 44 2.838 -5.779 -3.640 334 HZ2 TRP 44 HZ2 TRP 44 0.964 -1.180 -3.531 335 HZ3 TRP 44 HZ3 TRP 44 1.517 -4.991 -1.734 336 HH2 TRP 44 HH2 TRP 44 0.592 -2.733 -1.689 337 H ALA 45 H ALA 45 6.147 -7.235 -4.505 338 HA ALA 45 HA ALA 45 7.491 -8.635 -6.684 339 HB1 ALA 45 HB1 ALA 45 8.621 -8.685 -4.502 340 HB2 ALA 45 HB2 ALA 45 8.075 -10.303 -4.938 341 HB3 ALA 45 HB3 ALA 45 7.171 -9.356 -3.757 342 H GLY 46 H GLY 46 6.705 -10.787 -7.261 343 HA2 GLY 46 HA2 GLY 46 5.091 -12.510 -7.193 344 HA3 GLY 46 HA3 GLY 46 4.038 -11.450 -6.263 345 H TYR 47 H TYR 47 4.587 -9.213 -8.238 346 HA TYR 47 HA TYR 47 2.772 -10.240 -10.297 347 HB2 TYR 47 HB2 TYR 47 2.379 -7.960 -8.814 348 HB3 TYR 47 HB3 TYR 47 3.220 -7.313 -10.234 349 HD1 TYR 47 HD1 TYR 47 0.927 -9.936 -10.021 350 HD2 TYR 47 HD2 TYR 47 1.659 -6.244 -11.461 351 HE1 TYR 47 HE1 TYR 47 -1.254 -10.094 -11.318 352 HE2 TYR 47 HE2 TYR 47 -0.401 -6.245 -12.806 353 HH TYR 47 HH TYR 47 -2.825 -8.625 -12.421 354 H ASP 48 H ASP 48 3.034 -8.841 -12.205 355 HA ASP 48 HA ASP 48 5.563 -9.410 -13.397 356 HB2 ASP 48 HB2 ASP 48 3.696 -9.126 -14.886 357 HB3 ASP 48 HB3 ASP 48 3.457 -7.453 -14.352 358 H TRP 49 H TRP 49 7.264 -8.114 -13.941 359 HA TRP 49 HA TRP 49 8.095 -6.461 -11.808 360 HB2 TRP 49 HB2 TRP 49 9.415 -6.988 -14.462 361 HB3 TRP 49 HB3 TRP 49 10.184 -6.191 -13.088 362 HD1 TRP 49 HD1 TRP 49 8.927 -9.619 -14.237 363 HE1 TRP 49 HE1 TRP 49 9.930 -11.425 -12.706 364 HE3 TRP 49 HE3 TRP 49 11.115 -6.591 -10.744 365 HZ2 TRP 49 HZ2 TRP 49 11.451 -11.551 -10.322 366 HZ3 TRP 49 HZ3 TRP 49 12.317 -7.634 -8.867 367 HH2 TRP 49 HH2 TRP 49 12.480 -10.061 -8.662 368 H TYR 50 H TYR 50 6.402 -5.632 -14.676 369 HA TYR 50 HA TYR 50 7.303 -2.859 -14.539 370 HB2 TYR 50 HB2 TYR 50 5.541 -4.260 -16.566 371 HB3 TYR 50 HB3 TYR 50 6.097 -2.596 -16.673 372 HD1 TYR 50 HD2 TYR 50 8.500 -2.128 -17.112 373 HD2 TYR 50 HD1 TYR 50 6.952 -6.089 -17.173 374 HE1 TYR 50 HE2 TYR 50 10.505 -2.892 -18.316 375 HE2 TYR 50 HE1 TYR 50 8.949 -6.862 -18.372 376 HH TYR 50 HH TYR 50 10.686 -5.960 -19.781 377 H ASP 51 H ASP 51 5.460 -4.314 -12.583 378 HA ASP 51 HA ASP 51 2.860 -3.108 -13.080 379 HB2 ASP 51 HB2 ASP 51 2.035 -4.455 -11.479 380 HB3 ASP 51 HB3 ASP 51 3.324 -5.510 -12.078 381 H ASN 52 H ASN 52 5.660 -2.381 -11.384 382 HA ASN 52 HA ASN 52 4.915 -1.561 -8.863 383 HB2 ASN 52 HB2 ASN 52 7.070 -0.489 -10.674 384 HB3 ASN 52 HB3 ASN 52 6.882 0.023 -9.007 385 HD21 ASN 52 HD21 ASN 52 6.184 -3.413 -9.671 386 HD22 ASN 52 HD22 ASN 52 7.662 -3.950 -9.055 387 H THR 53 H THR 53 4.046 0.190 -7.941 388 HA THR 53 HA THR 53 3.429 2.537 -9.465 389 HB THR 53 HB THR 53 1.627 1.016 -10.207 390 HG1 THR 53 HG1 THR 53 -0.023 2.484 -8.691 391 HG21 THR 53 HG21 THR 53 0.890 0.825 -7.272 392 HG22 THR 53 HG22 THR 53 1.528 -0.484 -8.265 393 HG23 THR 53 HG23 THR 53 -0.068 0.184 -8.608 394 H TRP 54 H TRP 54 1.869 3.879 -8.023 395 HA TRP 54 HA TRP 54 3.125 4.076 -5.379 396 HB2 TRP 54 HB2 TRP 54 1.234 5.989 -6.777 397 HB3 TRP 54 HB3 TRP 54 2.152 6.305 -5.315 398 HD1 TRP 54 HD1 TRP 54 2.693 5.805 -9.107 399 HE1 TRP 54 HE1 TRP 54 4.827 7.055 -9.788 400 HE3 TRP 54 HE3 TRP 54 4.295 7.280 -4.474 401 HZ2 TRP 54 HZ2 TRP 54 6.901 8.493 -8.545 402 HZ3 TRP 54 HZ3 TRP 54 6.351 8.596 -4.325 403 HH2 TRP 54 HH2 TRP 54 7.630 9.188 -6.310 404 H GLU 55 H GLU 55 1.941 3.592 -3.524 405 HA GLU 55 HA GLU 55 -0.960 3.505 -3.754 406 HB2 GLU 55 HB2 GLU 55 0.833 1.275 -2.775 407 HB3 GLU 55 HB3 GLU 55 -0.814 1.425 -2.191 408 HG2 GLU 55 HG2 GLU 55 -0.083 1.141 -5.104 409 HG3 GLU 55 HG3 GLU 55 -0.516 -0.209 -4.065 410 HA PRO 56 HA PRO 56 -0.629 5.913 -0.168 411 HB2 PRO 56 HB2 PRO 56 -2.876 5.264 1.246 412 HB3 PRO 56 HB3 PRO 56 -2.906 6.220 -0.253 413 HG2 PRO 56 HG2 PRO 56 -3.457 3.320 0.112 414 HG3 PRO 56 HG3 PRO 56 -4.326 4.518 -0.870 415 HD2 PRO 56 HD2 PRO 56 -2.574 2.803 -1.966 416 HD3 PRO 56 HD3 PRO 56 -2.783 4.459 -2.570 417 H GLU 57 H GLU 57 -0.280 5.909 2.187 418 HA GLU 57 HA GLU 57 1.239 3.732 3.116 419 HB2 GLU 57 HB2 GLU 57 1.428 6.149 3.941 420 HB3 GLU 57 HB3 GLU 57 0.014 5.824 4.909 421 HG2 GLU 57 HG2 GLU 57 1.095 4.297 6.285 422 HG3 GLU 57 HG3 GLU 57 2.415 4.061 5.148 423 H GLN 58 H GLN 58 -2.065 4.377 3.361 424 HA GLN 58 HA GLN 58 -2.893 2.803 5.507 425 HB2 GLN 58 HB2 GLN 58 -4.370 3.237 2.906 426 HB3 GLN 58 HB3 GLN 58 -5.085 2.708 4.419 427 HG2 GLN 58 HG2 GLN 58 -3.826 5.387 3.866 428 HG3 GLN 58 HG3 GLN 58 -5.546 5.050 4.048 429 HE21 GLN 58 HE21 GLN 58 -6.361 4.626 6.135 430 HE22 GLN 58 HE22 GLN 58 -5.433 5.031 7.539 431 H ASN 59 H ASN 59 -1.715 1.845 2.401 432 HA ASN 59 HA ASN 59 -2.836 -0.843 2.524 433 HB2 ASN 59 HB2 ASN 59 -0.996 0.551 0.622 434 HB3 ASN 59 HB3 ASN 59 -1.227 -1.183 0.567 435 HD21 ASN 59 HD21 ASN 59 -3.844 1.121 1.274 436 HD22 ASN 59 HD22 ASN 59 -4.583 0.801 -0.290 437 H LEU 60 H LEU 60 -0.171 0.718 3.890 438 HA LEU 60 HA LEU 60 1.693 -1.424 3.334 439 HB2 LEU 60 HB2 LEU 60 2.138 1.252 4.627 440 HB3 LEU 60 HB3 LEU 60 3.393 0.085 4.263 441 HG LEU 60 HG LEU 60 1.688 1.579 2.274 442 HD11 LEU 60 HD11 LEU 60 3.792 2.545 1.553 443 HD12 LEU 60 HD12 LEU 60 4.622 1.691 2.850 444 HD13 LEU 60 HD13 LEU 60 3.414 2.926 3.231 445 HD21 LEU 60 HD21 LEU 60 2.081 -0.680 1.451 446 HD22 LEU 60 HD22 LEU 60 3.806 -0.510 1.769 447 HD23 LEU 60 HD23 LEU 60 3.034 0.487 0.539 448 H PHE 61 H PHE 61 -0.526 -1.602 5.345 449 HA PHE 61 HA PHE 61 0.378 -1.627 7.968 450 HB2 PHE 61 HB2 PHE 61 -1.492 -3.072 8.491 451 HB3 PHE 61 HB3 PHE 61 -1.984 -2.007 7.181 452 HD1 PHE 61 HD2 PHE 61 -2.009 -2.924 4.816 453 HD2 PHE 61 HD1 PHE 61 -1.640 -5.399 8.261 454 HE1 PHE 61 HE2 PHE 61 -2.716 -4.873 3.496 455 HE2 PHE 61 HE1 PHE 61 -2.343 -7.347 6.941 456 HZ PHE 61 HZ PHE 61 -2.881 -7.086 4.559 457 H GLY 62 H GLY 62 0.980 -4.049 5.477 458 HA2 GLY 62 HA2 GLY 62 2.296 -5.831 7.390 459 HA3 GLY 62 HA3 GLY 62 1.990 -6.180 5.691 460 H ALA 63 H ALA 63 3.001 -3.404 5.154 461 HA ALA 63 HA ALA 63 5.877 -4.062 4.878 462 HB1 ALA 63 HB1 ALA 63 4.135 -2.059 3.444 463 HB2 ALA 63 HB2 ALA 63 4.600 -3.642 2.811 464 HB3 ALA 63 HB3 ALA 63 5.832 -2.411 3.111 465 H GLU 64 H GLU 64 4.512 -3.051 7.285 466 HA GLU 64 HA GLU 64 5.254 -0.387 7.737 467 HB2 GLU 64 HB2 GLU 64 3.746 -1.971 9.119 468 HB3 GLU 64 HB3 GLU 64 5.227 -2.615 9.790 469 HG2 GLU 64 HG2 GLU 64 4.281 0.241 10.042 470 HG3 GLU 64 HG3 GLU 64 4.121 -1.004 11.271 471 H LYS 65 H LYS 65 6.871 -3.379 7.733 472 HA LYS 65 HA LYS 65 9.252 -2.926 9.143 473 HB2 LYS 65 HB2 LYS 65 9.084 -4.558 6.600 474 HB3 LYS 65 HB3 LYS 65 10.149 -4.812 7.969 475 HG2 LYS 65 HG2 LYS 65 8.184 -5.451 9.340 476 HG3 LYS 65 HG3 LYS 65 7.162 -5.265 7.916 477 HD2 LYS 65 HD2 LYS 65 8.531 -6.989 6.763 478 HD3 LYS 65 HD3 LYS 65 9.448 -7.216 8.252 479 HE2 LYS 65 HE2 LYS 65 7.829 -8.948 8.223 480 HE3 LYS 65 HE3 LYS 65 7.234 -7.756 9.374 481 HZ1 LYS 65 HZ1 LYS 65 5.767 -6.899 7.479 482 HZ2 LYS 65 HZ2 LYS 65 5.432 -8.455 8.030 483 HZ3 LYS 65 HZ3 LYS 65 6.287 -8.266 6.612 484 H VAL 66 H VAL 66 8.695 -2.768 5.627 485 HA VAL 66 HA VAL 66 11.061 -1.336 5.112 486 HB VAL 66 HB VAL 66 10.015 -0.915 2.812 487 HG11 VAL 66 HG11 VAL 66 11.715 -2.598 3.210 488 HG12 VAL 66 HG12 VAL 66 10.499 -3.216 2.092 489 HG13 VAL 66 HG13 VAL 66 10.486 -3.726 3.779 490 HG21 VAL 66 HG21 VAL 66 8.215 -2.434 2.181 491 HG22 VAL 66 HG22 VAL 66 7.718 -1.252 3.392 492 HG23 VAL 66 HG23 VAL 66 8.046 -2.914 3.872 493 H LEU 67 H LEU 67 7.799 -0.365 5.787 494 HA LEU 67 HA LEU 67 7.849 2.215 4.833 495 HB2 LEU 67 HB2 LEU 67 5.891 1.016 5.800 496 HB3 LEU 67 HB3 LEU 67 6.584 1.246 7.389 497 HG LEU 67 HG LEU 67 6.339 3.683 7.134 498 HD11 LEU 67 HD11 LEU 67 6.486 3.867 4.718 499 HD12 LEU 67 HD12 LEU 67 4.941 4.528 5.271 500 HD13 LEU 67 HD13 LEU 67 5.005 2.931 4.542 501 HD21 LEU 67 HD21 LEU 67 3.822 2.097 6.655 502 HD22 LEU 67 HD22 LEU 67 3.903 3.730 7.309 503 HD23 LEU 67 HD23 LEU 67 4.588 2.380 8.221 504 H LYS 68 H LYS 68 8.790 1.087 8.157 505 HA LYS 68 HA LYS 68 9.891 3.585 8.741 506 HB2 LYS 68 HB2 LYS 68 11.149 2.274 10.577 507 HB3 LYS 68 HB3 LYS 68 9.412 2.502 10.678 508 HG2 LYS 68 HG2 LYS 68 8.986 0.295 10.056 509 HG3 LYS 68 HG3 LYS 68 10.643 0.050 9.505 510 HD2 LYS 68 HD2 LYS 68 10.132 -1.001 11.625 511 HD3 LYS 68 HD3 LYS 68 11.468 0.175 11.666 512 HE2 LYS 68 HE2 LYS 68 10.061 0.375 13.705 513 HE3 LYS 68 HE3 LYS 68 9.976 1.831 12.727 514 HZ1 LYS 68 HZ1 LYS 68 7.757 1.103 13.566 515 HZ2 LYS 68 HZ2 LYS 68 7.892 -0.314 12.641 516 HZ3 LYS 68 HZ3 LYS 68 7.797 1.079 11.903 517 H LYS 69 H LYS 69 11.340 0.748 7.237 518 HA LYS 69 HA LYS 69 14.050 1.655 7.439 519 HB2 LYS 69 HB2 LYS 69 12.883 0.123 5.094 520 HB3 LYS 69 HB3 LYS 69 14.582 0.269 5.494 521 HG2 LYS 69 HG2 LYS 69 12.485 -1.170 7.087 522 HG3 LYS 69 HG3 LYS 69 13.721 -1.909 6.076 523 HD2 LYS 69 HD2 LYS 69 15.460 -1.071 7.553 524 HD3 LYS 69 HD3 LYS 69 14.251 -0.228 8.529 525 HE2 LYS 69 HE2 LYS 69 14.390 -3.212 8.109 526 HE3 LYS 69 HE3 LYS 69 14.921 -2.358 9.557 527 HZ1 LYS 69 HZ1 LYS 69 12.675 -3.316 9.765 528 HZ2 LYS 69 HZ2 LYS 69 12.130 -2.291 8.515 529 HZ3 LYS 69 HZ3 LYS 69 12.683 -1.639 9.957 530 H TRP 70 H TRP 70 11.562 2.195 5.028 531 HA TRP 70 HA TRP 70 13.039 3.722 3.250 532 HB2 TRP 70 HB2 TRP 70 11.046 2.756 2.440 533 HB3 TRP 70 HB3 TRP 70 10.081 3.457 3.742 534 HD1 TRP 70 HD1 TRP 70 8.986 5.716 3.292 535 HE1 TRP 70 HE1 TRP 70 9.150 7.480 1.510 536 HE3 TRP 70 HE3 TRP 70 12.840 3.710 0.622 537 HZ2 TRP 70 HZ2 TRP 70 10.729 7.972 -0.845 538 HZ3 TRP 70 HZ3 TRP 70 13.625 4.886 -1.387 539 HH2 TRP 70 HH2 TRP 70 12.594 6.970 -2.105 540 H LYS 71 H LYS 71 10.776 4.784 5.807 541 HA LYS 71 HA LYS 71 11.195 7.502 5.255 542 HB2 LYS 71 HB2 LYS 71 10.243 6.265 7.852 543 HB3 LYS 71 HB3 LYS 71 10.193 7.983 7.398 544 HG2 LYS 71 HG2 LYS 71 8.645 7.552 5.648 545 HG3 LYS 71 HG3 LYS 71 8.759 5.812 5.919 546 HD2 LYS 71 HD2 LYS 71 7.774 6.072 8.139 547 HD3 LYS 71 HD3 LYS 71 7.711 7.825 7.924 548 HE2 LYS 71 HE2 LYS 71 6.195 7.575 6.066 549 HE3 LYS 71 HE3 LYS 71 6.330 5.825 6.161 550 HZ1 LYS 71 HZ1 LYS 71 5.075 7.562 8.273 551 HZ2 LYS 71 HZ2 LYS 71 5.133 5.858 8.280 552 HZ3 LYS 71 HZ3 LYS 71 4.276 6.645 7.123 553 H LYS 72 H LYS 72 12.961 5.224 7.120 554 HA LYS 72 HA LYS 72 14.698 6.955 8.536 555 HB2 LYS 72 HB2 LYS 72 14.480 4.560 9.098 556 HB3 LYS 72 HB3 LYS 72 15.054 4.128 7.500 557 HG2 LYS 72 HG2 LYS 72 16.849 5.703 9.282 558 HG3 LYS 72 HG3 LYS 72 16.626 3.981 9.592 559 HD2 LYS 72 HD2 LYS 72 17.397 3.424 7.381 560 HD3 LYS 72 HD3 LYS 72 17.424 5.123 6.914 561 HE2 LYS 72 HE2 LYS 72 19.637 4.274 7.368 562 HE3 LYS 72 HE3 LYS 72 19.173 5.556 8.503 563 HZ1 LYS 72 HZ1 LYS 72 18.674 3.841 10.151 564 HZ2 LYS 72 HZ2 LYS 72 20.282 3.728 9.649 565 HZ3 LYS 72 HZ3 LYS 72 19.141 2.627 9.067 566 H ARG 73 H ARG 73 14.688 5.730 5.258 567 HA ARG 73 HA ARG 73 17.348 6.696 4.613 568 HB2 ARG 73 HB2 ARG 73 15.107 6.015 2.723 569 HB3 ARG 73 HB3 ARG 73 16.822 6.080 2.357 570 HG2 ARG 73 HG2 ARG 73 17.244 4.136 3.642 571 HG3 ARG 73 HG3 ARG 73 15.600 4.144 4.289 572 HD2 ARG 73 HD2 ARG 73 14.826 3.963 1.895 573 HD3 ARG 73 HD3 ARG 73 16.504 3.593 1.495 574 HE ARG 73 HE ARG 73 15.894 1.937 3.542 575 HH11 ARG 73 HH11 ARG 73 14.493 2.468 0.270 576 HH12 ARG 73 HH12 ARG 73 13.950 0.862 0.118 577 HH21 ARG 73 HH21 ARG 73 15.056 -0.369 3.193 578 HH22 ARG 73 HH22 ARG 73 14.225 -0.686 1.744 579 H LYS 74 H LYS 74 14.102 7.895 4.642 580 HA LYS 74 HA LYS 74 14.631 9.936 2.721 581 HB2 LYS 74 HB2 LYS 74 12.183 9.117 4.146 582 HB3 LYS 74 HB3 LYS 74 12.271 10.734 3.473 583 HG2 LYS 74 HG2 LYS 74 12.559 8.137 1.991 584 HG3 LYS 74 HG3 LYS 74 11.201 9.256 1.920 585 HD2 LYS 74 HD2 LYS 74 14.009 9.688 0.848 586 HD3 LYS 74 HD3 LYS 74 12.513 9.579 -0.054 587 HE2 LYS 74 HE2 LYS 74 13.318 11.830 1.809 588 HE3 LYS 74 HE3 LYS 74 13.251 11.893 0.056 589 HZ1 LYS 74 HZ1 LYS 74 10.837 11.473 0.233 590 HZ2 LYS 74 HZ2 LYS 74 11.351 12.936 0.947 591 HZ3 LYS 74 HZ3 LYS 74 10.964 11.621 1.920 592 H LYS 75 H LYS 75 15.248 11.796 2.927 593 HA LYS 75 HA LYS 75 14.874 13.172 5.430 594 HB2 LYS 75 HB2 LYS 75 16.734 13.786 3.091 595 HB3 LYS 75 HB3 LYS 75 16.656 14.679 4.609 596 HG2 LYS 75 HG2 LYS 75 17.478 11.787 4.343 597 HG3 LYS 75 HG3 LYS 75 18.585 13.148 4.529 598 HD2 LYS 75 HD2 LYS 75 18.083 13.432 6.741 599 HD3 LYS 75 HD3 LYS 75 16.426 12.869 6.570 600 HE2 LYS 75 HE2 LYS 75 18.886 11.118 6.511 601 HE3 LYS 75 HE3 LYS 75 17.812 11.326 7.896 602 HZ1 LYS 75 HZ1 LYS 75 17.145 9.309 6.733 603 HZ2 LYS 75 HZ2 LYS 75 17.117 10.125 5.266 604 HZ3 LYS 75 HZ3 LYS 75 15.981 10.494 6.424 605 H1 ALA 1 H1 ALA 1 7.793 -19.446 7.829 606 H2 ALA 1 H2 ALA 1 7.317 -19.609 9.463 607 H3 ALA 1 H3 ALA 1 8.540 -18.515 9.001 608 HA ALA 1 HA ALA 1 5.768 -18.248 8.092 609 HB1 ALA 1 HB1 ALA 1 5.681 -16.327 9.640 610 HB2 ALA 1 HB2 ALA 1 7.288 -16.740 10.237 611 HB3 ALA 1 HB3 ALA 1 5.936 -17.837 10.516 612 H ARG 2 H ARG 2 5.553 -15.977 7.122 613 HA ARG 2 HA ARG 2 7.907 -15.507 5.499 614 HB2 ARG 2 HB2 ARG 2 5.103 -14.385 5.331 615 HB3 ARG 2 HB3 ARG 2 6.418 -13.786 4.344 616 HG2 ARG 2 HG2 ARG 2 6.669 -16.064 3.387 617 HG3 ARG 2 HG3 ARG 2 5.261 -16.565 4.324 618 HD2 ARG 2 HD2 ARG 2 5.257 -14.332 2.279 619 HD3 ARG 2 HD3 ARG 2 4.721 -15.979 1.961 620 HE ARG 2 HE ARG 2 3.317 -15.025 4.170 621 HH11 ARG 2 HH11 ARG 2 3.521 -14.126 0.690 622 HH12 ARG 2 HH12 ARG 2 1.839 -13.777 0.634 623 HH21 ARG 2 HH21 ARG 2 0.974 -14.462 3.916 624 HH22 ARG 2 HH22 ARG 2 0.449 -13.987 2.380 625 H THR 3 H THR 3 9.399 -14.412 6.606 626 HA THR 3 HA THR 3 8.599 -12.064 8.073 627 HB THR 3 HB THR 3 10.297 -13.390 9.180 628 HG1 THR 3 HG1 THR 3 11.648 -11.188 8.061 629 HG21 THR 3 HG21 THR 3 11.222 -14.602 7.259 630 HG22 THR 3 HG22 THR 3 12.521 -13.858 8.192 631 HG23 THR 3 HG23 THR 3 11.988 -13.124 6.681 632 H LYS 4 H LYS 4 7.724 -11.422 5.940 633 HA LYS 4 HA LYS 4 9.658 -9.809 4.469 634 HB2 LYS 4 HB2 LYS 4 9.206 -12.047 3.351 635 HB3 LYS 4 HB3 LYS 4 7.535 -11.549 3.191 636 HG2 LYS 4 HG2 LYS 4 8.222 -9.706 1.733 637 HG3 LYS 4 HG3 LYS 4 9.912 -10.187 1.919 638 HD2 LYS 4 HD2 LYS 4 9.334 -12.414 0.985 639 HD3 LYS 4 HD3 LYS 4 7.692 -11.834 0.712 640 HE2 LYS 4 HE2 LYS 4 8.549 -10.114 -0.801 641 HE3 LYS 4 HE3 LYS 4 10.194 -10.686 -0.524 642 HZ1 LYS 4 HZ1 LYS 4 7.970 -12.200 -1.791 643 HZ2 LYS 4 HZ2 LYS 4 9.421 -12.895 -1.424 644 HZ3 LYS 4 HZ3 LYS 4 9.340 -11.637 -2.575 645 H GLN 5 H GLN 5 8.441 -8.186 3.204 646 HA GLN 5 HA GLN 5 6.099 -7.338 4.681 647 HB2 GLN 5 HB2 GLN 5 6.535 -5.144 3.469 648 HB3 GLN 5 HB3 GLN 5 7.647 -5.582 4.765 649 HG2 GLN 5 HG2 GLN 5 8.190 -6.022 1.833 650 HG3 GLN 5 HG3 GLN 5 8.631 -4.543 2.673 651 HE21 GLN 5 HE21 GLN 5 10.366 -6.397 1.341 652 HE22 GLN 5 HE22 GLN 5 11.468 -6.974 2.525 653 H THR 6 H THR 6 4.150 -6.910 3.706 654 HA THR 6 HA THR 6 3.965 -7.174 0.844 655 HB THR 6 HB THR 6 2.153 -8.736 0.977 656 HG1 THR 6 HG1 THR 6 1.207 -9.281 2.913 657 HG21 THR 6 HG21 THR 6 3.187 -10.774 1.794 658 HG22 THR 6 HG22 THR 6 4.205 -9.840 2.883 659 HG23 THR 6 HG23 THR 6 4.454 -9.708 1.150 660 H ALA 7 H ALA 7 1.790 -6.202 0.165 661 HA ALA 7 HA ALA 7 0.444 -4.702 2.254 662 HB1 ALA 7 HB1 ALA 7 2.227 -3.185 1.597 663 HB2 ALA 7 HB2 ALA 7 0.671 -2.558 1.046 664 HB3 ALA 7 HB3 ALA 7 1.771 -3.342 -0.092 665 H ARG 8 H ARG 8 -1.391 -3.434 1.192 666 HA ARG 8 HA ARG 8 -3.078 -5.342 0.014 667 HB2 ARG 8 HB2 ARG 8 -3.546 -2.383 0.143 668 HB3 ARG 8 HB3 ARG 8 -4.747 -3.585 -0.277 669 HG2 ARG 8 HG2 ARG 8 -4.296 -4.573 2.050 670 HG3 ARG 8 HG3 ARG 8 -3.468 -3.030 2.356 671 HD2 ARG 8 HD2 ARG 8 -5.814 -2.958 3.068 672 HD3 ARG 8 HD3 ARG 8 -5.456 -1.794 1.786 673 HE ARG 8 HE ARG 8 -6.693 -4.424 1.213 674 HH11 ARG 8 HH11 ARG 8 -6.730 -0.898 0.773 675 HH12 ARG 8 HH12 ARG 8 -7.988 -0.977 -0.390 676 HH21 ARG 8 HH21 ARG 8 -8.274 -4.486 -0.262 677 HH22 ARG 8 HH22 ARG 8 -8.925 -3.078 -0.998 678 H M3L 9 H M3L 9 -2.152 -2.274 -1.498 679 HA M3L 9 HA M3L 9 -1.955 -1.565 -3.556 680 HB2 M3L 9 1HB M3L 9 -0.859 -3.760 -4.180 681 HB3 M3L 9 2HB M3L 9 -2.448 -4.308 -4.697 682 HG2 M3L 9 1HG M3L 9 -1.145 -1.819 -5.762 683 HG3 M3L 9 2HG M3L 9 -2.563 -2.655 -6.392 684 HD2 M3L 9 1HD M3L 9 -0.207 -2.946 -7.483 685 HD3 M3L 9 2HD M3L 9 0.026 -4.117 -6.198 686 HE2 M3L 9 1HE M3L 9 -2.279 -4.080 -8.138 687 HE3 M3L 9 2HE M3L 9 -2.035 -5.275 -6.884 688 HM11 M3L 9 1HM1 M3L 9 -0.796 -7.178 -9.942 689 HM12 M3L 9 2HM1 M3L 9 -1.815 -7.279 -8.509 690 HM13 M3L 9 3HM1 M3L 9 -2.241 -6.197 -9.793 691 HM21 M3L 9 1HM2 M3L 9 0.963 -6.935 -8.229 692 HM22 M3L 9 2HM2 M3L 9 0.375 -6.206 -6.734 693 HM23 M3L 9 3HM2 M3L 9 1.413 -5.351 -7.826 694 HM31 M3L 9 3HM3 M3L 9 1.006 -4.680 -9.737 695 HM32 M3L 9 1HM3 M3L 9 -0.508 -4.605 -10.604 696 HM33 M3L 9 2HM3 M3L 9 -0.134 -3.458 -9.348 697 H SER 10 H SER 10 -3.735 -0.357 -3.176 698 HA SER 10 HA SER 10 -6.267 -1.564 -3.782 699 HB2 SER 10 HB2 SER 10 -7.084 0.753 -2.895 700 HB3 SER 10 HB3 SER 10 -6.504 -0.461 -1.762 701 HG SER 10 HG SER 10 -4.567 1.265 -2.778 702 H THR 11 H THR 11 -6.071 -1.684 -5.966 703 HA THR 11 HA THR 11 -6.004 0.879 -7.377 704 HB THR 11 HB THR 11 -5.096 -1.717 -8.587 705 HG1 THR 11 HG1 THR 11 -3.495 -0.021 -6.854 706 HG21 THR 11 HG21 THR 11 -5.391 0.246 -10.035 707 HG22 THR 11 HG22 THR 11 -3.693 -0.218 -9.935 708 HG23 THR 11 HG23 THR 11 -4.283 1.165 -9.015 709 H GLY 12 H GLY 12 -7.794 1.175 -8.602 710 HA2 GLY 12 HA2 GLY 12 -9.452 0.604 -10.137 711 HA3 GLY 12 HA3 GLY 12 -9.109 -1.095 -9.833 712 H GLY 13 H GLY 13 -9.954 -2.066 -7.969 713 HA2 GLY 13 HA2 GLY 13 -12.121 -0.585 -6.652 714 HA3 GLY 13 HA3 GLY 13 -12.507 -2.080 -7.493 715 H LYS 14 H LYS 14 -9.442 -1.950 -5.993 716 HA LYS 14 HA LYS 14 -10.373 -3.892 -4.042 717 HB2 LYS 14 HB2 LYS 14 -7.564 -2.931 -4.674 718 HB3 LYS 14 HB3 LYS 14 -7.931 -4.114 -3.427 719 HG2 LYS 14 HG2 LYS 14 -8.771 -5.652 -5.095 720 HG3 LYS 14 HG3 LYS 14 -8.551 -4.448 -6.356 721 HD2 LYS 14 HD2 LYS 14 -6.730 -5.981 -6.543 722 HD3 LYS 14 HD3 LYS 14 -6.077 -4.510 -5.852 723 HE2 LYS 14 HE2 LYS 14 -6.831 -6.957 -4.238 724 HE3 LYS 14 HE3 LYS 14 -5.215 -6.670 -4.850 725 HZ1 LYS 14 HZ1 LYS 14 -6.697 -5.288 -2.720 726 HZ2 LYS 14 HZ2 LYS 14 -5.409 -4.483 -3.506 727 HZ3 LYS 14 HZ3 LYS 14 -5.132 -5.906 -2.657 728 H ALA 15 H ALA 15 -11.702 -2.183 -3.048 729 HA ALA 15 HA ALA 15 -10.227 -0.910 -0.899 730 HB1 ALA 15 HB1 ALA 15 -10.342 0.807 -2.644 731 HB2 ALA 15 HB2 ALA 15 -11.363 1.242 -1.273 732 HB3 ALA 15 HB3 ALA 15 -12.090 0.598 -2.744 733 HA PRO 16 HA PRO 16 -14.022 -2.204 1.080 734 HB2 PRO 16 HB2 PRO 16 -13.522 -1.353 3.564 735 HB3 PRO 16 HB3 PRO 16 -12.530 -2.649 2.859 736 HG2 PRO 16 HG2 PRO 16 -11.869 0.217 3.219 737 HG3 PRO 16 HG3 PRO 16 -10.836 -1.215 3.391 738 HD2 PRO 16 HD2 PRO 16 -10.920 0.421 1.149 739 HD3 PRO 16 HD3 PRO 16 -10.289 -1.238 1.201 740 H ARG 17 H ARG 17 -15.346 -0.828 3.077 741 HA ARG 17 HA ARG 17 -15.846 1.744 1.847 742 HB2 ARG 17 HB2 ARG 17 -17.835 -0.328 2.585 743 HB3 ARG 17 HB3 ARG 17 -18.262 1.352 2.845 744 HG2 ARG 17 HG2 ARG 17 -17.465 0.091 0.228 745 HG3 ARG 17 HG3 ARG 17 -19.087 0.602 0.704 746 HD2 ARG 17 HD2 ARG 17 -16.679 2.355 0.145 747 HD3 ARG 17 HD3 ARG 17 -18.209 2.306 -0.711 748 HE ARG 17 HE ARG 17 -18.726 3.030 1.977 749 HH11 ARG 17 HH11 ARG 17 -17.259 4.444 -0.922 750 HH12 ARG 17 HH12 ARG 17 -17.473 6.054 -0.405 751 HH21 ARG 17 HH21 ARG 17 -18.965 5.116 2.698 752 HH22 ARG 17 HH22 ARG 17 -18.536 6.481 1.782 753 H TYR 18 H TYR 18 -17.173 3.150 3.185 754 HA TYR 18 HA TYR 18 -16.870 3.110 5.964 755 HB2 TYR 18 HB2 TYR 18 -15.707 5.360 5.907 756 HB3 TYR 18 HB3 TYR 18 -14.669 4.093 5.276 757 HD1 TYR 18 HD2 TYR 18 -14.380 3.913 2.746 758 HD2 TYR 18 HD1 TYR 18 -16.278 7.256 4.580 759 HE1 TYR 18 HE2 TYR 18 -14.067 5.216 0.690 760 HE2 TYR 18 HE1 TYR 18 -15.969 8.560 2.523 761 HH TYR 18 HH TYR 18 -14.467 8.546 0.543 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -31.852 -32.992 -14.793 2 H2 MET 1 H2 MET 1 -33.071 -31.871 -14.905 3 H3 MET 1 H3 MET 1 -33.451 -33.540 -15.037 4 HA MET 1 HA MET 1 -34.010 -32.629 -12.840 5 HB2 MET 1 HB2 MET 1 -31.526 -34.381 -12.844 6 HB3 MET 1 HB3 MET 1 -32.527 -34.088 -11.433 7 HG2 MET 1 HG2 MET 1 -34.393 -35.207 -12.470 8 HG3 MET 1 HG3 MET 1 -33.489 -35.391 -13.970 9 HE1 MET 1 HE1 MET 1 -32.138 -35.880 -10.256 10 HE2 MET 1 HE2 MET 1 -32.434 -37.604 -10.042 11 HE3 MET 1 HE3 MET 1 -33.790 -36.490 -10.197 12 H VAL 2 H VAL 2 -32.881 -31.878 -10.730 13 HA VAL 2 HA VAL 2 -31.021 -29.752 -11.464 14 HB VAL 2 HB VAL 2 -32.652 -30.126 -8.911 15 HG11 VAL 2 HG11 VAL 2 -32.176 -27.759 -8.480 16 HG12 VAL 2 HG12 VAL 2 -31.183 -27.698 -9.935 17 HG13 VAL 2 HG13 VAL 2 -30.696 -28.716 -8.580 18 HG21 VAL 2 HG21 VAL 2 -33.277 -28.372 -11.286 19 HG22 VAL 2 HG22 VAL 2 -34.159 -28.376 -9.760 20 HG23 VAL 2 HG23 VAL 2 -34.167 -29.811 -10.788 21 H SER 3 H SER 3 -29.118 -29.521 -10.044 22 HA SER 3 HA SER 3 -28.534 -31.794 -8.372 23 HB2 SER 3 HB2 SER 3 -27.631 -32.294 -10.681 24 HB3 SER 3 HB3 SER 3 -26.663 -30.827 -10.569 25 HG SER 3 HG SER 3 -25.570 -32.824 -9.979 26 H VAL 4 H VAL 4 -26.120 -31.157 -7.536 27 HA VAL 4 HA VAL 4 -26.550 -28.502 -6.400 28 HB VAL 4 HB VAL 4 -26.518 -30.356 -4.772 29 HG11 VAL 4 HG11 VAL 4 -25.066 -31.926 -5.871 30 HG12 VAL 4 HG12 VAL 4 -24.457 -31.578 -4.252 31 HG13 VAL 4 HG13 VAL 4 -23.688 -30.845 -5.659 32 HG21 VAL 4 HG21 VAL 4 -25.796 -28.172 -3.994 33 HG22 VAL 4 HG22 VAL 4 -24.144 -28.509 -4.506 34 HG23 VAL 4 HG23 VAL 4 -24.863 -29.433 -3.187 35 H LYS 5 H LYS 5 -25.028 -26.970 -6.510 36 HA LYS 5 HA LYS 5 -22.724 -27.440 -8.294 37 HB2 LYS 5 HB2 LYS 5 -24.357 -25.609 -8.831 38 HB3 LYS 5 HB3 LYS 5 -24.021 -24.888 -7.270 39 HG2 LYS 5 HG2 LYS 5 -21.655 -24.565 -8.006 40 HG3 LYS 5 HG3 LYS 5 -22.126 -25.143 -9.605 41 HD2 LYS 5 HD2 LYS 5 -22.128 -22.746 -9.647 42 HD3 LYS 5 HD3 LYS 5 -23.805 -23.286 -9.684 43 HE2 LYS 5 HE2 LYS 5 -23.557 -21.402 -8.168 44 HE3 LYS 5 HE3 LYS 5 -23.985 -22.843 -7.255 45 HZ1 LYS 5 HZ1 LYS 5 -22.234 -21.550 -6.176 46 HZ2 LYS 5 HZ2 LYS 5 -21.226 -21.732 -7.512 47 HZ3 LYS 5 HZ3 LYS 5 -21.638 -23.065 -6.583 48 HA PRO 6 HA PRO 6 -19.888 -26.995 -4.729 49 HB2 PRO 6 HB2 PRO 6 -18.555 -24.964 -6.488 50 HB3 PRO 6 HB3 PRO 6 -17.820 -26.298 -5.570 51 HG2 PRO 6 HG2 PRO 6 -18.114 -26.527 -8.164 52 HG3 PRO 6 HG3 PRO 6 -18.446 -27.903 -7.092 53 HD2 PRO 6 HD2 PRO 6 -20.360 -26.169 -8.554 54 HD3 PRO 6 HD3 PRO 6 -20.480 -27.886 -8.125 55 H LEU 7 H LEU 7 -20.588 -25.904 -3.060 56 HA LEU 7 HA LEU 7 -21.191 -23.046 -3.250 57 HB2 LEU 7 HB2 LEU 7 -22.201 -25.145 -1.304 58 HB3 LEU 7 HB3 LEU 7 -22.602 -23.442 -1.237 59 HG LEU 7 HG LEU 7 -23.394 -25.355 -3.439 60 HD11 LEU 7 HD11 LEU 7 -25.658 -25.057 -2.578 61 HD12 LEU 7 HD12 LEU 7 -25.027 -24.072 -1.257 62 HD13 LEU 7 HD13 LEU 7 -24.590 -25.778 -1.374 63 HD21 LEU 7 HD21 LEU 7 -24.097 -22.444 -3.025 64 HD22 LEU 7 HD22 LEU 7 -24.794 -23.504 -4.249 65 HD23 LEU 7 HD23 LEU 7 -23.080 -23.098 -4.312 66 HA PRO 8 HA PRO 8 -17.807 -22.441 -0.416 67 HB2 PRO 8 HB2 PRO 8 -19.414 -20.684 1.320 68 HB3 PRO 8 HB3 PRO 8 -18.006 -20.268 0.323 69 HG2 PRO 8 HG2 PRO 8 -20.435 -19.411 -0.321 70 HG3 PRO 8 HG3 PRO 8 -19.248 -19.877 -1.556 71 HD2 PRO 8 HD2 PRO 8 -21.586 -21.431 -0.533 72 HD3 PRO 8 HD3 PRO 8 -21.000 -21.229 -2.199 73 H ASP 9 H ASP 9 -17.401 -24.256 0.723 74 HA ASP 9 HA ASP 9 -19.086 -25.149 2.892 75 HB2 ASP 9 HB2 ASP 9 -17.480 -27.014 2.961 76 HB3 ASP 9 HB3 ASP 9 -18.036 -26.748 1.311 77 H ILE 10 H ILE 10 -16.192 -23.449 2.264 78 HA ILE 10 HA ILE 10 -14.995 -23.611 4.809 79 HB ILE 10 HB ILE 10 -14.600 -21.447 2.715 80 HG12 ILE 10 HG12 ILE 10 -13.059 -24.022 3.170 81 HG13 ILE 10 HG13 ILE 10 -14.194 -23.746 1.857 82 HG21 ILE 10 HG21 ILE 10 -12.421 -21.091 3.820 83 HG22 ILE 10 HG22 ILE 10 -12.839 -22.323 5.017 84 HG23 ILE 10 HG23 ILE 10 -13.760 -20.829 4.947 85 HD11 ILE 10 HD11 ILE 10 -11.896 -23.531 1.106 86 HD12 ILE 10 HD12 ILE 10 -11.607 -22.269 2.303 87 HD13 ILE 10 HD13 ILE 10 -12.739 -21.987 0.980 88 H ASP 11 H ASP 11 -15.181 -22.441 6.540 89 HA ASP 11 HA ASP 11 -17.486 -20.948 7.123 90 HB2 ASP 11 HB2 ASP 11 -16.369 -22.257 8.818 91 HB3 ASP 11 HB3 ASP 11 -14.896 -21.331 8.625 92 H SER 12 H SER 12 -17.350 -18.769 8.208 93 HA SER 12 HA SER 12 -16.483 -16.883 6.244 94 HB2 SER 12 HB2 SER 12 -17.891 -16.450 8.873 95 HB3 SER 12 HB3 SER 12 -17.740 -15.280 7.558 96 HG SER 12 HG SER 12 -18.666 -17.687 6.738 97 H ASN 13 H ASN 13 -14.971 -18.146 9.048 98 HA ASN 13 HA ASN 13 -13.650 -15.915 10.077 99 HB2 ASN 13 HB2 ASN 13 -12.007 -17.394 11.066 100 HB3 ASN 13 HB3 ASN 13 -13.579 -18.166 11.161 101 HD21 ASN 13 HD21 ASN 13 -13.950 -19.986 9.965 102 HD22 ASN 13 HD22 ASN 13 -12.672 -20.893 9.201 103 H GLU 14 H GLU 14 -11.209 -15.561 9.961 104 HA GLU 14 HA GLU 14 -10.771 -14.931 7.190 105 HB2 GLU 14 HB2 GLU 14 -9.090 -13.323 8.114 106 HB3 GLU 14 HB3 GLU 14 -10.747 -13.039 8.618 107 HG2 GLU 14 HG2 GLU 14 -10.212 -14.216 10.763 108 HG3 GLU 14 HG3 GLU 14 -8.528 -14.261 10.245 109 H GLY 15 H GLY 15 -9.382 -15.838 6.005 110 HA2 GLY 15 HA2 GLY 15 -7.299 -17.553 7.168 111 HA3 GLY 15 HA3 GLY 15 -7.962 -17.724 5.541 112 H GLU 16 H GLU 16 -6.964 -16.695 3.876 113 HA GLU 16 HA GLU 16 -4.976 -14.752 4.679 114 HB2 GLU 16 HB2 GLU 16 -3.785 -15.279 2.526 115 HB3 GLU 16 HB3 GLU 16 -3.784 -16.575 3.699 116 HG2 GLU 16 HG2 GLU 16 -4.074 -17.446 1.453 117 HG3 GLU 16 HG3 GLU 16 -5.522 -17.738 2.406 118 H THR 17 H THR 17 -4.762 -12.883 3.463 119 HA THR 17 HA THR 17 -7.020 -12.363 1.667 120 HB THR 17 HB THR 17 -5.252 -10.239 2.914 121 HG1 THR 17 HG1 THR 17 -7.066 -11.920 4.092 122 HG21 THR 17 HG21 THR 17 -7.256 -8.849 2.618 123 HG22 THR 17 HG22 THR 17 -8.152 -10.243 2.019 124 HG23 THR 17 HG23 THR 17 -6.810 -9.592 1.081 125 H ASP 18 H ASP 18 -4.300 -13.711 1.333 126 HA ASP 18 HA ASP 18 -2.323 -12.001 0.256 127 HB2 ASP 18 HB2 ASP 18 -2.011 -14.289 1.292 128 HB3 ASP 18 HB3 ASP 18 -2.632 -14.975 -0.199 129 H ALA 19 H ALA 19 -4.892 -13.872 -1.160 130 HA ALA 19 HA ALA 19 -4.286 -13.732 -3.861 131 HB1 ALA 19 HB1 ALA 19 -6.664 -13.980 -4.299 132 HB2 ALA 19 HB2 ALA 19 -7.035 -13.482 -2.648 133 HB3 ALA 19 HB3 ALA 19 -6.178 -14.995 -2.940 134 H ASP 20 H ASP 20 -5.370 -11.153 -1.796 135 HA ASP 20 HA ASP 20 -5.394 -9.271 -4.062 136 HB2 ASP 20 HB2 ASP 20 -7.732 -9.793 -3.316 137 HB3 ASP 20 HB3 ASP 20 -7.314 -9.267 -1.696 138 H VAL 21 H VAL 21 -3.416 -10.142 -1.963 139 HA VAL 21 HA VAL 21 -2.589 -7.473 -1.138 140 HB VAL 21 HB VAL 21 -2.743 -9.874 0.758 141 HG11 VAL 21 HG11 VAL 21 -0.648 -8.685 1.061 142 HG12 VAL 21 HG12 VAL 21 -1.713 -8.458 2.450 143 HG13 VAL 21 HG13 VAL 21 -1.519 -7.169 1.259 144 HG21 VAL 21 HG21 VAL 21 -4.022 -7.149 0.966 145 HG22 VAL 21 HG22 VAL 21 -4.130 -8.444 2.163 146 HG23 VAL 21 HG23 VAL 21 -4.819 -8.664 0.547 147 H TYR 22 H TYR 22 -0.604 -7.250 -1.909 148 HA TYR 22 HA TYR 22 0.781 -9.720 -2.711 149 HB2 TYR 22 HB2 TYR 22 0.832 -7.026 -4.060 150 HB3 TYR 22 HB3 TYR 22 1.707 -8.458 -4.596 151 HD1 TYR 22 HD1 TYR 22 -1.579 -6.884 -4.295 152 HD2 TYR 22 HD2 TYR 22 0.545 -10.295 -5.656 153 HE1 TYR 22 HE1 TYR 22 -3.557 -7.593 -5.562 154 HE2 TYR 22 HE2 TYR 22 -1.424 -11.019 -6.930 155 HH TYR 22 HH TYR 22 -4.062 -10.544 -6.611 156 H GLU 23 H GLU 23 3.124 -9.547 -2.952 157 HA GLU 23 HA GLU 23 4.215 -8.658 -0.540 158 HB2 GLU 23 HB2 GLU 23 5.455 -9.695 -2.972 159 HB3 GLU 23 HB3 GLU 23 6.401 -9.269 -1.532 160 HG2 GLU 23 HG2 GLU 23 6.173 -11.387 -1.115 161 HG3 GLU 23 HG3 GLU 23 4.619 -10.886 -0.502 162 H VAL 24 H VAL 24 5.550 -7.345 -0.066 163 HA VAL 24 HA VAL 24 6.061 -5.063 -1.860 164 HB VAL 24 HB VAL 24 6.205 -5.206 1.166 165 HG11 VAL 24 HG11 VAL 24 6.715 -2.875 -0.677 166 HG12 VAL 24 HG12 VAL 24 7.934 -3.733 0.284 167 HG13 VAL 24 HG13 VAL 24 6.646 -2.823 1.090 168 HG21 VAL 24 HG21 VAL 24 4.391 -3.690 -0.674 169 HG22 VAL 24 HG22 VAL 24 4.409 -3.639 1.100 170 HG23 VAL 24 HG23 VAL 24 3.976 -5.127 0.267 171 H GLU 25 H GLU 25 7.912 -5.348 -2.884 172 HA GLU 25 HA GLU 25 10.065 -6.843 -1.764 173 HB2 GLU 25 HB2 GLU 25 9.508 -6.534 -4.247 174 HB3 GLU 25 HB3 GLU 25 10.151 -4.914 -4.087 175 HG2 GLU 25 HG2 GLU 25 12.332 -5.767 -3.562 176 HG3 GLU 25 HG3 GLU 25 11.717 -7.424 -3.546 177 H ASP 26 H ASP 26 9.577 -3.389 -2.628 178 HA ASP 26 HA ASP 26 10.246 -2.380 -0.140 179 HB2 ASP 26 HB2 ASP 26 12.623 -3.180 -1.192 180 HB3 ASP 26 HB3 ASP 26 12.500 -1.596 -1.955 181 H ILE 27 H ILE 27 10.992 0.093 -0.603 182 HA ILE 27 HA ILE 27 8.788 1.041 -2.307 183 HB ILE 27 HB ILE 27 10.491 2.751 -0.481 184 HG12 ILE 27 HG12 ILE 27 9.632 0.937 0.942 185 HG13 ILE 27 HG13 ILE 27 8.841 2.455 1.329 186 HG21 ILE 27 HG21 ILE 27 8.484 4.184 -0.398 187 HG22 ILE 27 HG22 ILE 27 7.658 3.072 -1.483 188 HG23 ILE 27 HG23 ILE 27 9.068 3.954 -2.043 189 HD11 ILE 27 HD11 ILE 27 7.281 0.600 1.369 190 HD12 ILE 27 HD12 ILE 27 7.677 0.209 -0.305 191 HD13 ILE 27 HD13 ILE 27 6.867 1.728 0.079 192 H LEU 28 H LEU 28 9.194 2.456 -3.998 193 HA LEU 28 HA LEU 28 12.002 2.628 -4.825 194 HB2 LEU 28 HB2 LEU 28 9.475 2.849 -6.416 195 HB3 LEU 28 HB3 LEU 28 11.081 3.044 -7.102 196 HG LEU 28 HG LEU 28 9.895 0.531 -5.915 197 HD11 LEU 28 HD11 LEU 28 8.999 1.072 -8.099 198 HD12 LEU 28 HD12 LEU 28 10.071 -0.326 -8.211 199 HD13 LEU 28 HD13 LEU 28 10.628 1.258 -8.743 200 HD21 LEU 28 HD21 LEU 28 12.628 0.993 -7.122 201 HD22 LEU 28 HD22 LEU 28 11.955 -0.579 -6.696 202 HD23 LEU 28 HD23 LEU 28 12.282 0.605 -5.434 203 H ALA 29 H ALA 29 9.219 4.579 -4.036 204 HA ALA 29 HA ALA 29 10.740 6.918 -3.689 205 HB1 ALA 29 HB1 ALA 29 8.900 6.907 -6.103 206 HB2 ALA 29 HB2 ALA 29 10.659 7.031 -6.156 207 HB3 ALA 29 HB3 ALA 29 9.705 8.328 -5.434 208 H ASP 30 H ASP 30 8.977 8.849 -3.484 209 HA ASP 30 HA ASP 30 6.541 7.777 -2.333 210 HB2 ASP 30 HB2 ASP 30 6.823 9.141 -0.281 211 HB3 ASP 30 HB3 ASP 30 8.052 7.894 -0.441 212 H ARG 31 H ARG 31 5.072 9.588 -1.655 213 HA ARG 31 HA ARG 31 5.488 12.195 -2.757 214 HB2 ARG 31 HB2 ARG 31 4.634 10.661 -4.682 215 HB3 ARG 31 HB3 ARG 31 3.138 10.572 -3.769 216 HG2 ARG 31 HG2 ARG 31 3.071 13.103 -3.871 217 HG3 ARG 31 HG3 ARG 31 4.388 12.998 -5.040 218 HD2 ARG 31 HD2 ARG 31 2.461 13.106 -6.363 219 HD3 ARG 31 HD3 ARG 31 2.847 11.387 -6.324 220 HE ARG 31 HE ARG 31 0.740 12.695 -4.740 221 HH11 ARG 31 HH11 ARG 31 1.980 9.698 -6.285 222 HH12 ARG 31 HH12 ARG 31 0.518 8.866 -5.948 223 HH21 ARG 31 HH21 ARG 31 -1.282 11.414 -4.422 224 HH22 ARG 31 HH22 ARG 31 -1.244 9.792 -4.903 225 H VAL 32 H VAL 32 3.669 13.543 -2.004 226 HA VAL 32 HA VAL 32 1.909 12.290 -0.050 227 HB VAL 32 HB VAL 32 3.289 14.987 0.317 228 HG11 VAL 32 HG11 VAL 32 2.385 14.916 2.596 229 HG12 VAL 32 HG12 VAL 32 1.572 13.396 2.218 230 HG13 VAL 32 HG13 VAL 32 1.110 14.875 1.376 231 HG21 VAL 32 HG21 VAL 32 4.950 13.216 0.594 232 HG22 VAL 32 HG22 VAL 32 3.898 12.393 1.746 233 HG23 VAL 32 HG23 VAL 32 4.583 13.968 2.147 234 H ASN 33 H ASN 33 -0.131 13.143 -0.181 235 HA ASN 33 HA ASN 33 -0.636 14.847 -2.511 236 HB2 ASN 33 HB2 ASN 33 -2.599 13.598 -0.561 237 HB3 ASN 33 HB3 ASN 33 -3.033 14.471 -2.016 238 HD21 ASN 33 HD21 ASN 33 -1.838 11.499 -0.697 239 HD22 ASN 33 HD22 ASN 33 -2.041 10.560 -2.107 240 H LYS 34 H LYS 34 -2.461 16.554 -2.044 241 HA LYS 34 HA LYS 34 -1.449 18.237 0.095 242 HB2 LYS 34 HB2 LYS 34 -1.916 19.194 -2.152 243 HB3 LYS 34 HB3 LYS 34 -3.612 18.778 -1.972 244 HG2 LYS 34 HG2 LYS 34 -3.791 20.333 -0.079 245 HG3 LYS 34 HG3 LYS 34 -2.089 20.745 -0.260 246 HD2 LYS 34 HD2 LYS 34 -4.214 21.185 -2.369 247 HD3 LYS 34 HD3 LYS 34 -3.613 22.424 -1.271 248 HE2 LYS 34 HE2 LYS 34 -1.347 22.117 -2.218 249 HE3 LYS 34 HE3 LYS 34 -1.998 20.926 -3.341 250 HZ1 LYS 34 HZ1 LYS 34 -3.420 22.643 -4.285 251 HZ2 LYS 34 HZ2 LYS 34 -1.793 23.096 -4.379 252 HZ3 LYS 34 HZ3 LYS 34 -2.794 23.781 -3.203 253 H ASN 35 H ASN 35 -4.036 16.109 -0.558 254 HA ASN 35 HA ASN 35 -5.922 17.071 1.287 255 HB2 ASN 35 HB2 ASN 35 -6.272 15.559 -0.760 256 HB3 ASN 35 HB3 ASN 35 -5.659 14.251 0.229 257 HD21 ASN 35 HD21 ASN 35 -7.033 15.297 2.623 258 HD22 ASN 35 HD22 ASN 35 -8.705 14.913 2.411 259 H GLY 36 H GLY 36 -2.958 15.283 1.637 260 HA2 GLY 36 HA2 GLY 36 -2.049 15.102 3.861 261 HA3 GLY 36 HA3 GLY 36 -3.679 14.829 4.452 262 H ILE 37 H ILE 37 -2.655 13.150 1.595 263 HA ILE 37 HA ILE 37 -2.476 10.688 3.198 264 HB ILE 37 HB ILE 37 -3.298 11.001 0.276 265 HG12 ILE 37 HG12 ILE 37 -5.448 9.821 1.207 266 HG13 ILE 37 HG13 ILE 37 -4.843 10.465 2.733 267 HG21 ILE 37 HG21 ILE 37 -3.796 8.636 0.279 268 HG22 ILE 37 HG22 ILE 37 -3.120 8.505 1.911 269 HG23 ILE 37 HG23 ILE 37 -2.082 8.977 0.555 270 HD11 ILE 37 HD11 ILE 37 -4.968 12.705 1.878 271 HD12 ILE 37 HD12 ILE 37 -6.536 11.899 1.707 272 HD13 ILE 37 HD13 ILE 37 -5.470 12.082 0.307 273 H ASN 38 H ASN 38 -0.596 9.574 3.033 274 HA ASN 38 HA ASN 38 1.467 10.583 1.214 275 HB2 ASN 38 HB2 ASN 38 1.645 8.387 3.312 276 HB3 ASN 38 HB3 ASN 38 2.994 9.047 2.408 277 HD21 ASN 38 HD21 ASN 38 1.030 9.323 5.193 278 HD22 ASN 38 HD22 ASN 38 1.694 10.793 5.786 279 H GLU 39 H GLU 39 2.352 9.232 -0.424 280 HA GLU 39 HA GLU 39 1.056 6.646 -0.877 281 HB2 GLU 39 HB2 GLU 39 -0.017 8.768 -2.124 282 HB3 GLU 39 HB3 GLU 39 1.435 8.553 -3.108 283 HG2 GLU 39 HG2 GLU 39 0.798 6.436 -3.788 284 HG3 GLU 39 HG3 GLU 39 -0.568 6.400 -2.670 285 H TYR 40 H TYR 40 2.469 5.279 -2.083 286 HA TYR 40 HA TYR 40 5.138 6.458 -2.552 287 HB2 TYR 40 HB2 TYR 40 4.793 3.787 -1.226 288 HB3 TYR 40 HB3 TYR 40 6.253 4.755 -1.374 289 HD1 TYR 40 HD2 TYR 40 6.516 6.779 0.009 290 HD2 TYR 40 HD1 TYR 40 3.250 4.125 0.490 291 HE1 TYR 40 HE2 TYR 40 6.022 7.789 2.194 292 HE2 TYR 40 HE1 TYR 40 2.754 5.105 2.651 293 HH TYR 40 HH TYR 40 3.877 6.317 4.381 294 H TYR 41 H TYR 41 6.381 5.374 -4.008 295 HA TYR 41 HA TYR 41 4.943 3.821 -5.969 296 HB2 TYR 41 HB2 TYR 41 6.775 5.666 -6.342 297 HB3 TYR 41 HB3 TYR 41 7.910 4.374 -5.991 298 HD1 TYR 41 HD1 TYR 41 4.752 4.420 -7.965 299 HD2 TYR 41 HD2 TYR 41 8.957 3.825 -8.017 300 HE1 TYR 41 HE1 TYR 41 4.626 3.770 -10.325 301 HE2 TYR 41 HE2 TYR 41 8.836 3.168 -10.372 302 HH TYR 41 HH TYR 41 6.987 2.166 -11.849 303 H ILE 42 H ILE 42 4.579 1.796 -5.298 304 HA ILE 42 HA ILE 42 6.496 0.456 -3.518 305 HB ILE 42 HB ILE 42 3.747 -0.498 -4.359 306 HG12 ILE 42 HG12 ILE 42 3.507 1.662 -3.208 307 HG13 ILE 42 HG13 ILE 42 2.890 0.347 -2.218 308 HG21 ILE 42 HG21 ILE 42 5.502 -1.298 -2.039 309 HG22 ILE 42 HG22 ILE 42 5.183 -2.251 -3.487 310 HG23 ILE 42 HG23 ILE 42 3.876 -1.908 -2.353 311 HD11 ILE 42 HD11 ILE 42 4.093 1.900 -0.849 312 HD12 ILE 42 HD12 ILE 42 5.504 1.783 -1.899 313 HD13 ILE 42 HD13 ILE 42 5.003 0.390 -0.943 314 H LYS 43 H LYS 43 7.750 -1.227 -4.237 315 HA LYS 43 HA LYS 43 7.097 -2.225 -6.867 316 HB2 LYS 43 HB2 LYS 43 9.467 -1.533 -6.525 317 HB3 LYS 43 HB3 LYS 43 9.619 -2.790 -5.299 318 HG2 LYS 43 HG2 LYS 43 9.232 -4.517 -6.911 319 HG3 LYS 43 HG3 LYS 43 8.842 -3.335 -8.155 320 HD2 LYS 43 HD2 LYS 43 11.139 -2.507 -8.089 321 HD3 LYS 43 HD3 LYS 43 11.525 -3.674 -6.820 322 HE2 LYS 43 HE2 LYS 43 10.600 -4.358 -9.618 323 HE3 LYS 43 HE3 LYS 43 12.261 -4.453 -9.038 324 HZ1 LYS 43 HZ1 LYS 43 11.212 -6.660 -8.946 325 HZ2 LYS 43 HZ2 LYS 43 9.991 -6.059 -7.939 326 HZ3 LYS 43 HZ3 LYS 43 11.555 -6.088 -7.409 327 H TRP 44 H TRP 44 5.624 -3.712 -6.830 328 HA TRP 44 HA TRP 44 5.300 -5.379 -4.565 329 HB2 TRP 44 HB2 TRP 44 3.866 -5.551 -7.236 330 HB3 TRP 44 HB3 TRP 44 3.395 -6.272 -5.713 331 HD1 TRP 44 HD1 TRP 44 3.200 -3.026 -7.634 332 HE1 TRP 44 HE1 TRP 44 1.737 -1.361 -6.319 333 HE3 TRP 44 HE3 TRP 44 2.754 -5.610 -3.265 334 HZ2 TRP 44 HZ2 TRP 44 0.571 -1.161 -3.778 335 HZ3 TRP 44 HZ3 TRP 44 1.454 -4.623 -1.450 336 HH2 TRP 44 HH2 TRP 44 0.383 -2.440 -1.694 337 H ALA 45 H ALA 45 6.145 -7.229 -4.260 338 HA ALA 45 HA ALA 45 7.551 -8.582 -6.421 339 HB1 ALA 45 HB1 ALA 45 7.408 -9.217 -3.456 340 HB2 ALA 45 HB2 ALA 45 8.757 -8.442 -4.287 341 HB3 ALA 45 HB3 ALA 45 8.351 -10.118 -4.639 342 H GLY 46 H GLY 46 7.031 -10.855 -6.806 343 HA2 GLY 46 HA2 GLY 46 5.552 -12.689 -6.728 344 HA3 GLY 46 HA3 GLY 46 4.386 -11.676 -5.883 345 H TYR 47 H TYR 47 4.846 -9.484 -7.874 346 HA TYR 47 HA TYR 47 3.193 -10.659 -9.980 347 HB2 TYR 47 HB2 TYR 47 2.546 -8.417 -8.542 348 HB3 TYR 47 HB3 TYR 47 3.398 -7.703 -9.925 349 HD1 TYR 47 HD1 TYR 47 1.303 -10.514 -9.789 350 HD2 TYR 47 HD2 TYR 47 1.822 -6.788 -11.243 351 HE1 TYR 47 HE1 TYR 47 -0.782 -10.850 -11.192 352 HE2 TYR 47 HE2 TYR 47 -0.158 -6.964 -12.687 353 HH TYR 47 HH TYR 47 -1.503 -8.788 -13.748 354 H ASP 48 H ASP 48 3.370 -9.226 -11.881 355 HA ASP 48 HA ASP 48 5.852 -9.693 -13.197 356 HB2 ASP 48 HB2 ASP 48 3.676 -9.303 -14.392 357 HB3 ASP 48 HB3 ASP 48 3.801 -7.599 -13.961 358 H TRP 49 H TRP 49 7.489 -8.293 -13.834 359 HA TRP 49 HA TRP 49 8.468 -6.695 -11.692 360 HB2 TRP 49 HB2 TRP 49 10.423 -6.310 -13.103 361 HB3 TRP 49 HB3 TRP 49 9.975 -8.009 -13.081 362 HD1 TRP 49 HD1 TRP 49 8.959 -9.027 -15.392 363 HE1 TRP 49 HE1 TRP 49 9.192 -8.244 -17.818 364 HE3 TRP 49 HE3 TRP 49 10.613 -4.315 -14.518 365 HZ2 TRP 49 HZ2 TRP 49 10.006 -5.902 -19.207 366 HZ3 TRP 49 HZ3 TRP 49 11.114 -2.834 -16.450 367 HH2 TRP 49 HH2 TRP 49 10.810 -3.624 -18.741 368 H TYR 50 H TYR 50 6.629 -5.848 -14.496 369 HA TYR 50 HA TYR 50 7.287 -3.049 -14.020 370 HB2 TYR 50 HB2 TYR 50 6.151 -2.507 -16.208 371 HB3 TYR 50 HB3 TYR 50 7.588 -3.494 -16.348 372 HD1 TYR 50 HD2 TYR 50 3.860 -3.873 -16.133 373 HD2 TYR 50 HD1 TYR 50 7.515 -5.296 -17.782 374 HE1 TYR 50 HE2 TYR 50 2.608 -5.491 -17.497 375 HE2 TYR 50 HE1 TYR 50 6.273 -6.912 -19.154 376 HH TYR 50 HH TYR 50 4.072 -8.062 -18.946 377 H ASP 51 H ASP 51 5.504 -4.623 -12.289 378 HA ASP 51 HA ASP 51 2.858 -3.567 -12.839 379 HB2 ASP 51 HB2 ASP 51 2.091 -4.989 -11.284 380 HB3 ASP 51 HB3 ASP 51 3.479 -5.948 -11.821 381 H ASN 52 H ASN 52 5.550 -2.756 -11.038 382 HA ASN 52 HA ASN 52 4.654 -1.729 -8.654 383 HB2 ASN 52 HB2 ASN 52 6.687 -0.243 -8.686 384 HB3 ASN 52 HB3 ASN 52 7.005 -1.940 -9.006 385 HD21 ASN 52 HD21 ASN 52 7.677 -2.567 -11.123 386 HD22 ASN 52 HD22 ASN 52 8.215 -1.382 -12.245 387 H THR 53 H THR 53 3.814 0.099 -7.889 388 HA THR 53 HA THR 53 3.122 2.281 -9.630 389 HB THR 53 HB THR 53 1.374 0.688 -10.259 390 HG1 THR 53 HG1 THR 53 -0.184 2.237 -8.581 391 HG21 THR 53 HG21 THR 53 0.682 0.519 -7.310 392 HG22 THR 53 HG22 THR 53 1.402 -0.767 -8.276 393 HG23 THR 53 HG23 THR 53 -0.236 -0.230 -8.617 394 H TRP 54 H TRP 54 1.550 3.756 -8.314 395 HA TRP 54 HA TRP 54 2.755 4.175 -5.697 396 HB2 TRP 54 HB2 TRP 54 0.718 5.840 -7.197 397 HB3 TRP 54 HB3 TRP 54 1.570 6.317 -5.740 398 HD1 TRP 54 HD1 TRP 54 2.027 5.938 -9.496 399 HE1 TRP 54 HE1 TRP 54 4.138 7.185 -10.215 400 HE3 TRP 54 HE3 TRP 54 3.911 7.105 -4.863 401 HZ2 TRP 54 HZ2 TRP 54 6.312 8.519 -8.998 402 HZ3 TRP 54 HZ3 TRP 54 5.992 8.374 -4.751 403 HH2 TRP 54 HH2 TRP 54 7.176 9.063 -6.765 404 H GLU 55 H GLU 55 1.680 3.872 -3.815 405 HA GLU 55 HA GLU 55 -1.199 3.257 -3.832 406 HB2 GLU 55 HB2 GLU 55 0.192 1.129 -3.970 407 HB3 GLU 55 HB3 GLU 55 0.945 1.591 -2.461 408 HG2 GLU 55 HG2 GLU 55 -0.685 -0.089 -2.021 409 HG3 GLU 55 HG3 GLU 55 -1.270 1.438 -1.370 410 HA PRO 56 HA PRO 56 -0.661 5.960 -0.230 411 HB2 PRO 56 HB2 PRO 56 -2.889 5.362 1.205 412 HB3 PRO 56 HB3 PRO 56 -2.933 6.363 -0.261 413 HG2 PRO 56 HG2 PRO 56 -3.569 3.479 0.044 414 HG3 PRO 56 HG3 PRO 56 -4.423 4.733 -0.882 415 HD2 PRO 56 HD2 PRO 56 -2.781 3.005 -2.088 416 HD3 PRO 56 HD3 PRO 56 -2.917 4.693 -2.615 417 H GLU 57 H GLU 57 -0.276 5.955 1.978 418 HA GLU 57 HA GLU 57 1.246 3.840 3.018 419 HB2 GLU 57 HB2 GLU 57 1.523 6.223 3.682 420 HB3 GLU 57 HB3 GLU 57 -0.032 6.169 4.468 421 HG2 GLU 57 HG2 GLU 57 0.753 4.917 6.256 422 HG3 GLU 57 HG3 GLU 57 2.156 4.333 5.363 423 H GLN 58 H GLN 58 -2.081 4.450 3.204 424 HA GLN 58 HA GLN 58 -2.882 3.018 5.468 425 HB2 GLN 58 HB2 GLN 58 -4.391 3.321 2.873 426 HB3 GLN 58 HB3 GLN 58 -5.079 2.968 4.453 427 HG2 GLN 58 HG2 GLN 58 -4.418 5.146 5.270 428 HG3 GLN 58 HG3 GLN 58 -3.608 5.500 3.749 429 HE21 GLN 58 HE21 GLN 58 -6.735 3.888 4.006 430 HE22 GLN 58 HE22 GLN 58 -7.621 5.201 3.311 431 H ASN 59 H ASN 59 -1.929 1.846 2.258 432 HA ASN 59 HA ASN 59 -3.021 -0.770 2.853 433 HB2 ASN 59 HB2 ASN 59 -1.702 0.296 0.369 434 HB3 ASN 59 HB3 ASN 59 -1.996 -1.418 0.587 435 HD21 ASN 59 HD21 ASN 59 -4.153 1.243 1.540 436 HD22 ASN 59 HD22 ASN 59 -5.399 0.802 0.415 437 H LEU 60 H LEU 60 -0.249 0.741 3.714 438 HA LEU 60 HA LEU 60 1.663 -1.474 3.262 439 HB2 LEU 60 HB2 LEU 60 1.906 1.377 4.180 440 HB3 LEU 60 HB3 LEU 60 3.186 0.230 4.480 441 HG LEU 60 HG LEU 60 3.678 1.630 2.537 442 HD11 LEU 60 HD11 LEU 60 4.589 -0.588 2.590 443 HD12 LEU 60 HD12 LEU 60 4.231 -0.083 0.942 444 HD13 LEU 60 HD13 LEU 60 3.162 -1.216 1.764 445 HD21 LEU 60 HD21 LEU 60 1.405 2.094 1.759 446 HD22 LEU 60 HD22 LEU 60 1.220 0.407 1.285 447 HD23 LEU 60 HD23 LEU 60 2.396 1.430 0.459 448 H PHE 61 H PHE 61 -0.624 -1.499 5.196 449 HA PHE 61 HA PHE 61 0.160 -1.372 7.841 450 HB2 PHE 61 HB2 PHE 61 -1.723 -2.787 8.367 451 HB3 PHE 61 HB3 PHE 61 -2.163 -1.804 6.978 452 HD1 PHE 61 HD2 PHE 61 -1.902 -2.917 4.638 453 HD2 PHE 61 HD1 PHE 61 -2.025 -5.089 8.298 454 HE1 PHE 61 HE2 PHE 61 -2.505 -4.955 3.410 455 HE2 PHE 61 HE1 PHE 61 -2.631 -7.128 7.070 456 HZ PHE 61 HZ PHE 61 -2.875 -7.063 4.620 457 H GLY 62 H GLY 62 0.914 -3.945 5.542 458 HA2 GLY 62 HA2 GLY 62 2.009 -5.588 7.695 459 HA3 GLY 62 HA3 GLY 62 1.868 -6.064 6.006 460 H ALA 63 H ALA 63 3.081 -3.784 4.868 461 HA ALA 63 HA ALA 63 5.847 -4.374 5.403 462 HB1 ALA 63 HB1 ALA 63 6.257 -3.195 3.330 463 HB2 ALA 63 HB2 ALA 63 4.560 -2.722 3.265 464 HB3 ALA 63 HB3 ALA 63 5.007 -4.425 3.132 465 H GLU 64 H GLU 64 4.274 -2.745 7.239 466 HA GLU 64 HA GLU 64 4.772 -0.038 7.141 467 HB2 GLU 64 HB2 GLU 64 3.255 -1.144 8.733 468 HB3 GLU 64 HB3 GLU 64 4.628 -1.857 9.558 469 HG2 GLU 64 HG2 GLU 64 3.801 0.008 10.819 470 HG3 GLU 64 HG3 GLU 64 5.392 0.399 10.174 471 H LYS 65 H LYS 65 6.751 -2.620 8.210 472 HA LYS 65 HA LYS 65 8.838 -1.151 9.471 473 HB2 LYS 65 HB2 LYS 65 9.235 -3.832 8.108 474 HB3 LYS 65 HB3 LYS 65 10.188 -3.151 9.402 475 HG2 LYS 65 HG2 LYS 65 8.965 -4.826 10.461 476 HG3 LYS 65 HG3 LYS 65 8.014 -3.383 10.814 477 HD2 LYS 65 HD2 LYS 65 6.420 -3.932 9.105 478 HD3 LYS 65 HD3 LYS 65 7.441 -5.230 8.487 479 HE2 LYS 65 HE2 LYS 65 7.102 -6.374 10.693 480 HE3 LYS 65 HE3 LYS 65 5.940 -5.106 11.096 481 HZ1 LYS 65 HZ1 LYS 65 5.784 -6.924 8.763 482 HZ2 LYS 65 HZ2 LYS 65 4.686 -5.733 9.066 483 HZ3 LYS 65 HZ3 LYS 65 4.803 -7.059 10.137 484 H VAL 66 H VAL 66 8.420 -2.506 6.276 485 HA VAL 66 HA VAL 66 10.890 -1.785 5.169 486 HB VAL 66 HB VAL 66 8.230 -2.395 3.846 487 HG11 VAL 66 HG11 VAL 66 9.669 -1.223 2.266 488 HG12 VAL 66 HG12 VAL 66 9.489 -2.938 1.859 489 HG13 VAL 66 HG13 VAL 66 10.977 -2.366 2.612 490 HG21 VAL 66 HG21 VAL 66 9.150 -4.621 3.518 491 HG22 VAL 66 HG22 VAL 66 9.089 -4.189 5.234 492 HG23 VAL 66 HG23 VAL 66 10.619 -4.141 4.365 493 H LEU 67 H LEU 67 7.694 -0.304 5.024 494 HA LEU 67 HA LEU 67 8.311 1.919 3.481 495 HB2 LEU 67 HB2 LEU 67 6.043 1.344 3.876 496 HB3 LEU 67 HB3 LEU 67 6.251 1.448 5.611 497 HG LEU 67 HG LEU 67 6.555 3.863 5.454 498 HD11 LEU 67 HD11 LEU 67 6.008 3.524 2.515 499 HD12 LEU 67 HD12 LEU 67 7.544 3.991 3.250 500 HD13 LEU 67 HD13 LEU 67 6.147 5.053 3.391 501 HD21 LEU 67 HD21 LEU 67 4.283 4.445 4.852 502 HD22 LEU 67 HD22 LEU 67 4.333 2.971 5.821 503 HD23 LEU 67 HD23 LEU 67 4.068 2.878 4.078 504 H LYS 68 H LYS 68 8.285 1.514 6.990 505 HA LYS 68 HA LYS 68 9.194 4.071 7.434 506 HB2 LYS 68 HB2 LYS 68 8.831 1.730 9.190 507 HB3 LYS 68 HB3 LYS 68 9.953 2.960 9.759 508 HG2 LYS 68 HG2 LYS 68 7.618 3.287 10.590 509 HG3 LYS 68 HG3 LYS 68 8.242 4.661 9.691 510 HD2 LYS 68 HD2 LYS 68 6.953 3.938 7.709 511 HD3 LYS 68 HD3 LYS 68 6.351 2.548 8.609 512 HE2 LYS 68 HE2 LYS 68 5.276 4.101 10.223 513 HE3 LYS 68 HE3 LYS 68 5.834 5.461 9.256 514 HZ1 LYS 68 HZ1 LYS 68 3.455 4.661 8.902 515 HZ2 LYS 68 HZ2 LYS 68 4.086 3.308 8.214 516 HZ3 LYS 68 HZ3 LYS 68 4.319 4.807 7.456 517 H LYS 69 H LYS 69 11.092 1.195 6.833 518 HA LYS 69 HA LYS 69 13.662 2.217 7.357 519 HB2 LYS 69 HB2 LYS 69 12.934 0.754 4.804 520 HB3 LYS 69 HB3 LYS 69 14.539 0.944 5.459 521 HG2 LYS 69 HG2 LYS 69 13.794 -0.482 7.380 522 HG3 LYS 69 HG3 LYS 69 12.309 -0.785 6.477 523 HD2 LYS 69 HD2 LYS 69 15.098 -1.351 5.417 524 HD3 LYS 69 HD3 LYS 69 14.090 -2.552 6.195 525 HE2 LYS 69 HE2 LYS 69 14.055 -2.816 3.769 526 HE3 LYS 69 HE3 LYS 69 12.459 -2.392 4.318 527 HZ1 LYS 69 HZ1 LYS 69 13.247 -1.336 2.234 528 HZ2 LYS 69 HZ2 LYS 69 14.372 -0.449 3.036 529 HZ3 LYS 69 HZ3 LYS 69 12.704 -0.203 3.320 530 H TRP 70 H TRP 70 11.632 2.520 4.461 531 HA TRP 70 HA TRP 70 13.360 4.189 3.001 532 HB2 TRP 70 HB2 TRP 70 11.585 3.025 1.834 533 HB3 TRP 70 HB3 TRP 70 10.357 3.821 2.814 534 HD1 TRP 70 HD1 TRP 70 9.643 6.282 2.136 535 HE1 TRP 70 HE1 TRP 70 10.141 7.780 0.116 536 HE3 TRP 70 HE3 TRP 70 13.399 3.530 0.017 537 HZ2 TRP 70 HZ2 TRP 70 11.873 7.774 -2.109 538 HZ3 TRP 70 HZ3 TRP 70 14.417 4.349 -2.067 539 HH2 TRP 70 HH2 TRP 70 13.667 6.426 -3.107 540 H LYS 71 H LYS 71 10.467 4.962 4.827 541 HA LYS 71 HA LYS 71 10.563 7.728 4.428 542 HB2 LYS 71 HB2 LYS 71 8.747 5.997 5.346 543 HB3 LYS 71 HB3 LYS 71 9.197 6.765 6.874 544 HG2 LYS 71 HG2 LYS 71 8.645 8.952 5.862 545 HG3 LYS 71 HG3 LYS 71 8.174 8.121 4.379 546 HD2 LYS 71 HD2 LYS 71 6.506 6.822 5.797 547 HD3 LYS 71 HD3 LYS 71 6.859 7.963 7.097 548 HE2 LYS 71 HE2 LYS 71 6.201 9.826 5.533 549 HE3 LYS 71 HE3 LYS 71 5.778 8.553 4.374 550 HZ1 LYS 71 HZ1 LYS 71 4.409 8.954 7.012 551 HZ2 LYS 71 HZ2 LYS 71 4.110 7.713 5.939 552 HZ3 LYS 71 HZ3 LYS 71 3.780 9.270 5.478 553 H LYS 72 H LYS 72 12.230 5.772 6.742 554 HA LYS 72 HA LYS 72 13.012 8.094 8.201 555 HB2 LYS 72 HB2 LYS 72 13.748 5.222 8.565 556 HB3 LYS 72 HB3 LYS 72 14.599 6.497 9.426 557 HG2 LYS 72 HG2 LYS 72 11.606 6.293 9.528 558 HG3 LYS 72 HG3 LYS 72 12.619 5.323 10.587 559 HD2 LYS 72 HD2 LYS 72 11.880 7.352 11.754 560 HD3 LYS 72 HD3 LYS 72 13.620 7.363 11.501 561 HE2 LYS 72 HE2 LYS 72 12.511 9.567 11.176 562 HE3 LYS 72 HE3 LYS 72 13.436 9.049 9.785 563 HZ1 LYS 72 HZ1 LYS 72 10.467 8.819 10.074 564 HZ2 LYS 72 HZ2 LYS 72 11.364 8.457 8.665 565 HZ3 LYS 72 HZ3 LYS 72 11.273 10.019 9.207 566 H ARG 73 H ARG 73 14.496 6.134 5.725 567 HA ARG 73 HA ARG 73 16.917 7.685 5.945 568 HB2 ARG 73 HB2 ARG 73 16.126 5.610 3.903 569 HB3 ARG 73 HB3 ARG 73 17.690 6.410 3.955 570 HG2 ARG 73 HG2 ARG 73 16.548 4.656 6.140 571 HG3 ARG 73 HG3 ARG 73 17.758 4.162 4.964 572 HD2 ARG 73 HD2 ARG 73 18.838 4.693 7.088 573 HD3 ARG 73 HD3 ARG 73 19.308 5.882 5.879 574 HE ARG 73 HE ARG 73 17.049 6.683 7.435 575 HH11 ARG 73 HH11 ARG 73 20.572 6.549 7.569 576 HH12 ARG 73 HH12 ARG 73 20.760 7.973 8.484 577 HH21 ARG 73 HH21 ARG 73 17.253 8.655 8.618 578 HH22 ARG 73 HH22 ARG 73 18.777 9.229 9.123 579 H LYS 74 H LYS 74 14.011 7.882 4.226 580 HA LYS 74 HA LYS 74 14.984 10.252 2.869 581 HB2 LYS 74 HB2 LYS 74 14.714 8.781 1.077 582 HB3 LYS 74 HB3 LYS 74 13.378 7.942 1.836 583 HG2 LYS 74 HG2 LYS 74 12.688 9.191 -0.156 584 HG3 LYS 74 HG3 LYS 74 11.878 9.749 1.297 585 HD2 LYS 74 HD2 LYS 74 13.463 11.658 1.389 586 HD3 LYS 74 HD3 LYS 74 14.171 11.105 -0.133 587 HE2 LYS 74 HE2 LYS 74 12.478 12.903 -0.455 588 HE3 LYS 74 HE3 LYS 74 12.061 11.404 -1.282 589 HZ1 LYS 74 HZ1 LYS 74 10.564 10.858 0.515 590 HZ2 LYS 74 HZ2 LYS 74 10.091 12.250 -0.163 591 HZ3 LYS 74 HZ3 LYS 74 10.916 12.292 1.344 592 H LYS 75 H LYS 75 14.206 11.801 4.001 593 HA LYS 75 HA LYS 75 11.418 11.726 4.840 594 HB2 LYS 75 HB2 LYS 75 12.108 13.784 6.209 595 HB3 LYS 75 HB3 LYS 75 12.705 12.224 6.748 596 HG2 LYS 75 HG2 LYS 75 14.892 12.707 6.154 597 HG3 LYS 75 HG3 LYS 75 14.409 13.898 4.948 598 HD2 LYS 75 HD2 LYS 75 13.808 14.418 7.830 599 HD3 LYS 75 HD3 LYS 75 15.455 14.647 7.248 600 HE2 LYS 75 HE2 LYS 75 14.109 16.742 7.200 601 HE3 LYS 75 HE3 LYS 75 14.717 16.279 5.620 602 HZ1 LYS 75 HZ1 LYS 75 11.911 15.818 6.561 603 HZ2 LYS 75 HZ2 LYS 75 12.546 15.441 5.043 604 HZ3 LYS 75 HZ3 LYS 75 12.415 17.034 5.490 605 H1 ALA 1 H1 ALA 1 9.207 -18.780 10.462 606 H2 ALA 1 H2 ALA 1 10.280 -19.843 9.761 607 H3 ALA 1 H3 ALA 1 9.191 -20.407 10.967 608 HA ALA 1 HA ALA 1 8.461 -21.009 8.717 609 HB1 ALA 1 HB1 ALA 1 6.227 -19.954 8.796 610 HB2 ALA 1 HB2 ALA 1 6.823 -18.801 9.991 611 HB3 ALA 1 HB3 ALA 1 6.730 -20.516 10.390 612 H ARG 2 H ARG 2 7.555 -20.035 6.640 613 HA ARG 2 HA ARG 2 9.317 -17.902 5.793 614 HB2 ARG 2 HB2 ARG 2 7.179 -19.452 4.291 615 HB3 ARG 2 HB3 ARG 2 8.222 -18.242 3.567 616 HG2 ARG 2 HG2 ARG 2 10.177 -19.638 4.050 617 HG3 ARG 2 HG3 ARG 2 9.122 -20.851 4.780 618 HD2 ARG 2 HD2 ARG 2 7.968 -21.145 2.643 619 HD3 ARG 2 HD3 ARG 2 8.992 -19.913 1.910 620 HE ARG 2 HE ARG 2 10.724 -21.751 2.924 621 HH11 ARG 2 HH11 ARG 2 8.057 -21.884 0.593 622 HH12 ARG 2 HH12 ARG 2 8.692 -23.160 -0.328 623 HH21 ARG 2 HH21 ARG 2 11.646 -23.542 1.647 624 HH22 ARG 2 HH22 ARG 2 10.811 -24.134 0.297 625 H THR 3 H THR 3 8.678 -15.789 5.564 626 HA THR 3 HA THR 3 5.852 -15.223 5.788 627 HB THR 3 HB THR 3 8.008 -13.918 7.491 628 HG1 THR 3 HG1 THR 3 6.244 -16.030 7.851 629 HG21 THR 3 HG21 THR 3 4.985 -13.628 7.535 630 HG22 THR 3 HG22 THR 3 6.112 -12.417 6.925 631 HG23 THR 3 HG23 THR 3 6.111 -12.837 8.639 632 H LYS 4 H LYS 4 5.272 -13.652 4.440 633 HA LYS 4 HA LYS 4 7.250 -12.411 2.674 634 HB2 LYS 4 HB2 LYS 4 4.244 -12.213 2.759 635 HB3 LYS 4 HB3 LYS 4 5.280 -11.581 1.514 636 HG2 LYS 4 HG2 LYS 4 5.764 -13.867 0.767 637 HG3 LYS 4 HG3 LYS 4 4.734 -14.505 2.070 638 HD2 LYS 4 HD2 LYS 4 2.808 -13.342 1.221 639 HD3 LYS 4 HD3 LYS 4 3.777 -12.476 0.053 640 HE2 LYS 4 HE2 LYS 4 4.215 -14.692 -1.062 641 HE3 LYS 4 HE3 LYS 4 3.007 -15.387 0.028 642 HZ1 LYS 4 HZ1 LYS 4 2.526 -13.140 -1.884 643 HZ2 LYS 4 HZ2 LYS 4 1.394 -13.753 -0.797 644 HZ3 LYS 4 HZ3 LYS 4 1.883 -14.699 -2.052 645 H GLN 5 H GLN 5 7.325 -9.990 2.539 646 HA GLN 5 HA GLN 5 5.746 -8.672 4.656 647 HB2 GLN 5 HB2 GLN 5 8.373 -8.115 3.833 648 HB3 GLN 5 HB3 GLN 5 7.360 -7.008 2.892 649 HG2 GLN 5 HG2 GLN 5 8.030 -5.888 4.835 650 HG3 GLN 5 HG3 GLN 5 6.303 -6.219 4.866 651 HE21 GLN 5 HE21 GLN 5 8.707 -8.671 5.524 652 HE22 GLN 5 HE22 GLN 5 8.336 -8.909 7.183 653 H THR 6 H THR 6 3.927 -7.491 3.864 654 HA THR 6 HA THR 6 3.851 -7.147 1.013 655 HB THR 6 HB THR 6 1.926 -8.300 0.591 656 HG1 THR 6 HG1 THR 6 0.601 -9.203 2.271 657 HG21 THR 6 HG21 THR 6 3.795 -9.871 0.871 658 HG22 THR 6 HG22 THR 6 2.248 -10.640 1.207 659 HG23 THR 6 HG23 THR 6 3.300 -10.152 2.536 660 H ALA 7 H ALA 7 1.855 -6.004 0.358 661 HA ALA 7 HA ALA 7 0.538 -4.538 2.479 662 HB1 ALA 7 HB1 ALA 7 0.694 -2.452 1.112 663 HB2 ALA 7 HB2 ALA 7 1.803 -3.281 0.014 664 HB3 ALA 7 HB3 ALA 7 2.264 -3.006 1.691 665 H ARG 8 H ARG 8 -1.432 -3.457 1.262 666 HA ARG 8 HA ARG 8 -2.783 -5.690 0.212 667 HB2 ARG 8 HB2 ARG 8 -3.724 -2.867 -0.072 668 HB3 ARG 8 HB3 ARG 8 -4.657 -4.321 -0.325 669 HG2 ARG 8 HG2 ARG 8 -4.066 -4.790 2.163 670 HG3 ARG 8 HG3 ARG 8 -3.788 -3.035 2.199 671 HD2 ARG 8 HD2 ARG 8 -6.049 -3.202 2.726 672 HD3 ARG 8 HD3 ARG 8 -6.073 -2.895 0.988 673 HE ARG 8 HE ARG 8 -6.806 -5.323 2.375 674 HH11 ARG 8 HH11 ARG 8 -6.190 -4.002 -0.989 675 HH12 ARG 8 HH12 ARG 8 -6.985 -5.358 -1.655 676 HH21 ARG 8 HH21 ARG 8 -7.950 -7.063 1.145 677 HH22 ARG 8 HH22 ARG 8 -7.908 -6.892 -0.571 678 H M3L 9 H M3L 9 -2.110 -2.678 -1.507 679 HA M3L 9 HA M3L 9 -2.103 -2.100 -3.650 680 HB2 M3L 9 1HB M3L 9 -0.897 -4.227 -4.265 681 HB3 M3L 9 2HB M3L 9 -2.475 -4.967 -4.505 682 HG2 M3L 9 1HG M3L 9 -1.724 -2.450 -5.937 683 HG3 M3L 9 2HG M3L 9 -2.966 -3.632 -6.347 684 HD2 M3L 9 1HD M3L 9 -0.591 -3.493 -7.553 685 HD3 M3L 9 2HD M3L 9 -0.169 -4.605 -6.262 686 HE2 M3L 9 1HE M3L 9 -2.444 -4.879 -8.215 687 HE3 M3L 9 2HE M3L 9 -2.158 -5.989 -6.898 688 HM11 M3L 9 1HM1 M3L 9 -0.644 -7.910 -9.832 689 HM12 M3L 9 2HM1 M3L 9 -1.697 -8.042 -8.427 690 HM13 M3L 9 3HM1 M3L 9 -2.183 -7.067 -9.761 691 HM21 M3L 9 1HM2 M3L 9 0.967 -7.502 -8.052 692 HM22 M3L 9 2HM2 M3L 9 0.297 -6.718 -6.622 693 HM23 M3L 9 3HM2 M3L 9 1.349 -5.878 -7.718 694 HM31 M3L 9 3HM3 M3L 9 0.963 -5.261 -9.635 695 HM32 M3L 9 1HM3 M3L 9 -0.501 -5.355 -10.583 696 HM33 M3L 9 2HM3 M3L 9 -0.293 -4.127 -9.360 697 H SER 10 H SER 10 -3.836 -1.015 -3.863 698 HA SER 10 HA SER 10 -6.270 -2.088 -2.935 699 HB2 SER 10 HB2 SER 10 -7.200 0.198 -3.552 700 HB3 SER 10 HB3 SER 10 -5.895 0.157 -2.369 701 HG SER 10 HG SER 10 -4.517 0.939 -3.772 702 H THR 11 H THR 11 -7.718 -3.200 -3.952 703 HA THR 11 HA THR 11 -7.707 -3.310 -6.796 704 HB THR 11 HB THR 11 -8.021 -5.397 -5.533 705 HG1 THR 11 HG1 THR 11 -9.577 -6.216 -6.646 706 HG21 THR 11 HG21 THR 11 -9.090 -4.559 -3.499 707 HG22 THR 11 HG22 THR 11 -10.059 -5.855 -4.197 708 HG23 THR 11 HG23 THR 11 -10.554 -4.175 -4.405 709 H GLY 12 H GLY 12 -8.295 -1.453 -7.512 710 HA2 GLY 12 HA2 GLY 12 -9.835 0.163 -8.216 711 HA3 GLY 12 HA3 GLY 12 -11.003 -0.489 -7.051 712 H GLY 13 H GLY 13 -11.441 1.089 -5.624 713 HA2 GLY 13 HA2 GLY 13 -10.918 2.158 -3.604 714 HA3 GLY 13 HA3 GLY 13 -9.212 1.857 -3.926 715 H LYS 14 H LYS 14 -11.093 3.214 -6.417 716 HA LYS 14 HA LYS 14 -10.004 5.874 -5.903 717 HB2 LYS 14 HB2 LYS 14 -10.052 4.497 -8.615 718 HB3 LYS 14 HB3 LYS 14 -9.299 6.033 -8.221 719 HG2 LYS 14 HG2 LYS 14 -8.358 3.329 -7.229 720 HG3 LYS 14 HG3 LYS 14 -7.661 4.210 -8.582 721 HD2 LYS 14 HD2 LYS 14 -6.907 5.973 -7.109 722 HD3 LYS 14 HD3 LYS 14 -7.780 5.263 -5.751 723 HE2 LYS 14 HE2 LYS 14 -5.504 3.904 -7.217 724 HE3 LYS 14 HE3 LYS 14 -5.317 4.804 -5.714 725 HZ1 LYS 14 HZ1 LYS 14 -7.006 2.340 -6.036 726 HZ2 LYS 14 HZ2 LYS 14 -6.800 3.221 -4.629 727 HZ3 LYS 14 HZ3 LYS 14 -5.517 2.401 -5.272 728 H ALA 15 H ALA 15 -11.599 7.404 -6.334 729 HA ALA 15 HA ALA 15 -13.980 6.525 -7.746 730 HB1 ALA 15 HB1 ALA 15 -14.418 6.087 -5.370 731 HB2 ALA 15 HB2 ALA 15 -15.405 7.432 -5.944 732 HB3 ALA 15 HB3 ALA 15 -13.967 7.745 -4.975 733 HA PRO 16 HA PRO 16 -13.729 10.615 -9.481 734 HB2 PRO 16 HB2 PRO 16 -16.434 11.226 -9.602 735 HB3 PRO 16 HB3 PRO 16 -15.587 10.242 -10.814 736 HG2 PRO 16 HG2 PRO 16 -17.276 9.358 -8.543 737 HG3 PRO 16 HG3 PRO 16 -17.152 8.699 -10.187 738 HD2 PRO 16 HD2 PRO 16 -15.971 7.489 -8.125 739 HD3 PRO 16 HD3 PRO 16 -15.218 7.536 -9.731 740 H ARG 17 H ARG 17 -13.149 12.357 -8.371 741 HA ARG 17 HA ARG 17 -14.818 13.365 -6.221 742 HB2 ARG 17 HB2 ARG 17 -12.819 13.677 -4.793 743 HB3 ARG 17 HB3 ARG 17 -13.192 11.980 -5.055 744 HG2 ARG 17 HG2 ARG 17 -11.334 11.643 -6.413 745 HG3 ARG 17 HG3 ARG 17 -11.193 13.356 -6.810 746 HD2 ARG 17 HD2 ARG 17 -10.693 12.208 -4.065 747 HD3 ARG 17 HD3 ARG 17 -9.424 12.513 -5.255 748 HE ARG 17 HE ARG 17 -10.542 14.904 -5.170 749 HH11 ARG 17 HH11 ARG 17 -9.531 12.844 -2.491 750 HH12 ARG 17 HH12 ARG 17 -9.357 14.142 -1.387 751 HH21 ARG 17 HH21 ARG 17 -10.439 16.602 -3.732 752 HH22 ARG 17 HH22 ARG 17 -9.913 16.398 -2.120 753 H TYR 18 H TYR 18 -13.575 15.456 -5.440 754 HA TYR 18 HA TYR 18 -12.411 16.809 -7.734 755 HB2 TYR 18 HB2 TYR 18 -14.656 17.729 -6.933 756 HB3 TYR 18 HB3 TYR 18 -13.903 18.033 -5.374 757 HD1 TYR 18 HD2 TYR 18 -13.803 18.951 -8.959 758 HD2 TYR 18 HD1 TYR 18 -12.642 20.019 -5.008 759 HE1 TYR 18 HE2 TYR 18 -13.094 21.160 -9.771 760 HE2 TYR 18 HE1 TYR 18 -11.926 22.232 -5.810 761 HH TYR 18 HH TYR 18 -12.745 23.417 -8.885 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -40.962 -16.076 -4.238 2 H2 MET 1 H2 MET 1 -42.409 -16.428 -3.388 3 H3 MET 1 H3 MET 1 -41.406 -17.667 -4.009 4 HA MET 1 HA MET 1 -40.467 -15.791 -1.979 5 HB2 MET 1 HB2 MET 1 -40.694 -17.634 -0.381 6 HB3 MET 1 HB3 MET 1 -42.265 -17.276 -1.076 7 HG2 MET 1 HG2 MET 1 -41.991 -19.209 -2.598 8 HG3 MET 1 HG3 MET 1 -40.461 -19.579 -1.802 9 HE1 MET 1 HE1 MET 1 -42.807 -21.708 -2.089 10 HE2 MET 1 HE2 MET 1 -42.815 -22.412 -0.472 11 HE3 MET 1 HE3 MET 1 -41.284 -22.051 -1.269 12 H VAL 2 H VAL 2 -38.452 -16.942 -0.969 13 HA VAL 2 HA VAL 2 -36.946 -18.049 -3.216 14 HB VAL 2 HB VAL 2 -34.908 -17.282 -2.030 15 HG11 VAL 2 HG11 VAL 2 -35.883 -15.817 -3.698 16 HG12 VAL 2 HG12 VAL 2 -35.185 -14.867 -2.385 17 HG13 VAL 2 HG13 VAL 2 -36.932 -15.095 -2.478 18 HG21 VAL 2 HG21 VAL 2 -35.083 -15.755 -0.103 19 HG22 VAL 2 HG22 VAL 2 -35.739 -17.348 0.273 20 HG23 VAL 2 HG23 VAL 2 -36.828 -16.006 -0.069 21 H SER 3 H SER 3 -35.137 -19.536 -2.422 22 HA SER 3 HA SER 3 -35.944 -21.033 -0.071 23 HB2 SER 3 HB2 SER 3 -36.931 -22.239 -1.975 24 HB3 SER 3 HB3 SER 3 -35.366 -22.263 -2.787 25 HG SER 3 HG SER 3 -36.363 -23.839 -0.801 26 H VAL 4 H VAL 4 -34.220 -20.490 1.125 27 HA VAL 4 HA VAL 4 -31.571 -20.656 -0.069 28 HB VAL 4 HB VAL 4 -32.212 -18.623 1.244 29 HG11 VAL 4 HG11 VAL 4 -32.304 -20.469 3.610 30 HG12 VAL 4 HG12 VAL 4 -33.652 -19.577 2.905 31 HG13 VAL 4 HG13 VAL 4 -32.332 -18.707 3.688 32 HG21 VAL 4 HG21 VAL 4 -29.854 -19.159 1.023 33 HG22 VAL 4 HG22 VAL 4 -29.937 -20.214 2.432 34 HG23 VAL 4 HG23 VAL 4 -30.164 -18.475 2.620 35 H LYS 5 H LYS 5 -29.965 -22.009 0.850 36 HA LYS 5 HA LYS 5 -30.973 -24.067 2.663 37 HB2 LYS 5 HB2 LYS 5 -28.989 -24.219 0.394 38 HB3 LYS 5 HB3 LYS 5 -28.829 -25.328 1.743 39 HG2 LYS 5 HG2 LYS 5 -30.308 -26.683 0.770 40 HG3 LYS 5 HG3 LYS 5 -31.534 -25.435 0.940 41 HD2 LYS 5 HD2 LYS 5 -29.627 -25.603 -1.400 42 HD3 LYS 5 HD3 LYS 5 -31.223 -26.346 -1.385 43 HE2 LYS 5 HE2 LYS 5 -30.652 -23.402 -1.048 44 HE3 LYS 5 HE3 LYS 5 -31.218 -24.174 -2.528 45 HZ1 LYS 5 HZ1 LYS 5 -33.016 -23.149 -1.321 46 HZ2 LYS 5 HZ2 LYS 5 -32.715 -24.061 0.053 47 HZ3 LYS 5 HZ3 LYS 5 -33.269 -24.809 -1.359 48 HA PRO 6 HA PRO 6 -28.092 -22.483 5.574 49 HB2 PRO 6 HB2 PRO 6 -27.099 -24.718 6.808 50 HB3 PRO 6 HB3 PRO 6 -28.731 -24.094 7.121 51 HG2 PRO 6 HG2 PRO 6 -27.899 -26.353 5.385 52 HG3 PRO 6 HG3 PRO 6 -29.312 -26.205 6.450 53 HD2 PRO 6 HD2 PRO 6 -29.481 -25.887 3.773 54 HD3 PRO 6 HD3 PRO 6 -30.528 -25.023 4.915 55 H LEU 7 H LEU 7 -26.306 -21.582 4.908 56 HA LEU 7 HA LEU 7 -24.180 -23.244 3.810 57 HB2 LEU 7 HB2 LEU 7 -23.364 -21.345 2.564 58 HB3 LEU 7 HB3 LEU 7 -25.059 -21.547 2.209 59 HG LEU 7 HG LEU 7 -23.960 -19.437 4.092 60 HD11 LEU 7 HD11 LEU 7 -23.138 -19.070 1.843 61 HD12 LEU 7 HD12 LEU 7 -24.347 -17.860 2.267 62 HD13 LEU 7 HD13 LEU 7 -24.776 -19.200 1.204 63 HD21 LEU 7 HD21 LEU 7 -26.161 -18.359 3.749 64 HD22 LEU 7 HD22 LEU 7 -26.306 -19.918 4.540 65 HD23 LEU 7 HD23 LEU 7 -26.694 -19.764 2.823 66 HA PRO 8 HA PRO 8 -21.766 -21.828 7.310 67 HB2 PRO 8 HB2 PRO 8 -19.305 -21.839 5.745 68 HB3 PRO 8 HB3 PRO 8 -19.809 -22.996 6.991 69 HG2 PRO 8 HG2 PRO 8 -19.611 -23.678 4.396 70 HG3 PRO 8 HG3 PRO 8 -20.776 -24.419 5.511 71 HD2 PRO 8 HD2 PRO 8 -21.235 -22.292 3.467 72 HD3 PRO 8 HD3 PRO 8 -22.234 -23.702 3.886 73 H ASP 9 H ASP 9 -21.704 -19.739 7.996 74 HA ASP 9 HA ASP 9 -21.279 -17.590 6.123 75 HB2 ASP 9 HB2 ASP 9 -21.850 -16.167 8.057 76 HB3 ASP 9 HB3 ASP 9 -23.044 -17.446 7.871 77 H ILE 10 H ILE 10 -19.756 -19.137 8.829 78 HA ILE 10 HA ILE 10 -17.292 -17.632 8.332 79 HB ILE 10 HB ILE 10 -17.934 -19.539 10.616 80 HG12 ILE 10 HG12 ILE 10 -19.331 -17.530 10.785 81 HG13 ILE 10 HG13 ILE 10 -18.115 -17.541 12.055 82 HG21 ILE 10 HG21 ILE 10 -15.611 -17.639 10.281 83 HG22 ILE 10 HG22 ILE 10 -15.541 -19.383 10.113 84 HG23 ILE 10 HG23 ILE 10 -15.909 -18.666 11.688 85 HD11 ILE 10 HD11 ILE 10 -18.400 -15.315 11.136 86 HD12 ILE 10 HD12 ILE 10 -18.035 -15.910 9.518 87 HD13 ILE 10 HD13 ILE 10 -16.785 -15.922 10.765 88 H ASP 11 H ASP 11 -15.531 -18.677 7.517 89 HA ASP 11 HA ASP 11 -15.947 -21.208 6.246 90 HB2 ASP 11 HB2 ASP 11 -14.448 -19.221 5.464 91 HB3 ASP 11 HB3 ASP 11 -13.271 -19.870 6.598 92 H SER 12 H SER 12 -14.347 -22.970 6.601 93 HA SER 12 HA SER 12 -14.100 -23.427 9.493 94 HB2 SER 12 HB2 SER 12 -14.223 -25.441 7.249 95 HB3 SER 12 HB3 SER 12 -14.280 -25.784 8.982 96 HG SER 12 HG SER 12 -16.089 -23.931 8.212 97 H ASN 13 H ASN 13 -12.340 -22.851 6.636 98 HA ASN 13 HA ASN 13 -9.883 -23.760 7.907 99 HB2 ASN 13 HB2 ASN 13 -10.555 -25.265 5.999 100 HB3 ASN 13 HB3 ASN 13 -10.508 -23.875 4.933 101 HD21 ASN 13 HD21 ASN 13 -8.022 -24.337 7.492 102 HD22 ASN 13 HD22 ASN 13 -6.785 -24.702 6.387 103 H GLU 14 H GLU 14 -7.997 -22.531 6.835 104 HA GLU 14 HA GLU 14 -8.713 -19.742 7.050 105 HB2 GLU 14 HB2 GLU 14 -5.939 -20.909 6.726 106 HB3 GLU 14 HB3 GLU 14 -6.370 -19.338 7.366 107 HG2 GLU 14 HG2 GLU 14 -5.711 -20.570 9.248 108 HG3 GLU 14 HG3 GLU 14 -7.470 -20.633 9.301 109 H GLY 15 H GLY 15 -8.895 -18.513 5.326 110 HA2 GLY 15 HA2 GLY 15 -8.272 -19.613 2.703 111 HA3 GLY 15 HA3 GLY 15 -9.241 -18.181 3.022 112 H GLU 16 H GLU 16 -7.905 -17.352 1.221 113 HA GLU 16 HA GLU 16 -5.148 -16.641 1.961 114 HB2 GLU 16 HB2 GLU 16 -6.564 -16.446 -0.696 115 HB3 GLU 16 HB3 GLU 16 -4.852 -16.232 -0.396 116 HG2 GLU 16 HG2 GLU 16 -4.577 -18.561 0.048 117 HG3 GLU 16 HG3 GLU 16 -6.324 -18.822 0.007 118 H THR 17 H THR 17 -4.714 -14.508 2.260 119 HA THR 17 HA THR 17 -6.813 -12.538 1.545 120 HB THR 17 HB THR 17 -4.459 -12.110 3.429 121 HG1 THR 17 HG1 THR 17 -6.665 -13.600 3.705 122 HG21 THR 17 HG21 THR 17 -7.143 -10.716 3.175 123 HG22 THR 17 HG22 THR 17 -5.608 -10.075 2.594 124 HG23 THR 17 HG23 THR 17 -5.872 -10.298 4.324 125 H ASP 18 H ASP 18 -3.897 -13.895 0.815 126 HA ASP 18 HA ASP 18 -2.176 -12.011 -0.159 127 HB2 ASP 18 HB2 ASP 18 -2.690 -14.782 -1.244 128 HB3 ASP 18 HB3 ASP 18 -1.167 -13.890 -1.258 129 H ALA 19 H ALA 19 -5.038 -13.377 -1.491 130 HA ALA 19 HA ALA 19 -4.775 -12.869 -4.204 131 HB1 ALA 19 HB1 ALA 19 -7.199 -12.946 -4.327 132 HB2 ALA 19 HB2 ALA 19 -7.309 -12.714 -2.583 133 HB3 ALA 19 HB3 ALA 19 -6.598 -14.191 -3.232 134 H ASP 20 H ASP 20 -5.548 -10.631 -1.603 135 HA ASP 20 HA ASP 20 -5.529 -8.479 -3.586 136 HB2 ASP 20 HB2 ASP 20 -7.202 -7.248 -2.359 137 HB3 ASP 20 HB3 ASP 20 -7.832 -8.858 -2.653 138 H VAL 21 H VAL 21 -3.530 -9.805 -1.688 139 HA VAL 21 HA VAL 21 -2.352 -7.318 -0.709 140 HB VAL 21 HB VAL 21 -2.658 -9.818 1.020 141 HG11 VAL 21 HG11 VAL 21 -0.500 -8.781 1.372 142 HG12 VAL 21 HG12 VAL 21 -1.533 -8.551 2.784 143 HG13 VAL 21 HG13 VAL 21 -1.275 -7.223 1.653 144 HG21 VAL 21 HG21 VAL 21 -3.942 -8.412 2.562 145 HG22 VAL 21 HG22 VAL 21 -4.703 -8.499 0.968 146 HG23 VAL 21 HG23 VAL 21 -3.806 -7.057 1.438 147 H TYR 22 H TYR 22 -0.400 -7.235 -1.539 148 HA TYR 22 HA TYR 22 0.866 -9.762 -2.389 149 HB2 TYR 22 HB2 TYR 22 1.145 -7.044 -3.680 150 HB3 TYR 22 HB3 TYR 22 1.834 -8.560 -4.264 151 HD1 TYR 22 HD1 TYR 22 0.365 -10.309 -5.141 152 HD2 TYR 22 HD2 TYR 22 -1.132 -6.511 -4.051 153 HE1 TYR 22 HE1 TYR 22 -1.737 -10.788 -6.373 154 HE2 TYR 22 HE2 TYR 22 -3.220 -6.950 -5.257 155 HH TYR 22 HH TYR 22 -4.258 -9.822 -6.133 156 H GLU 23 H GLU 23 3.264 -9.661 -2.561 157 HA GLU 23 HA GLU 23 4.253 -8.688 -0.092 158 HB2 GLU 23 HB2 GLU 23 5.496 -10.204 -2.285 159 HB3 GLU 23 HB3 GLU 23 6.516 -9.408 -1.070 160 HG2 GLU 23 HG2 GLU 23 5.414 -10.621 0.651 161 HG3 GLU 23 HG3 GLU 23 4.353 -11.371 -0.545 162 H VAL 24 H VAL 24 5.581 -7.357 0.366 163 HA VAL 24 HA VAL 24 6.110 -5.187 -1.568 164 HB VAL 24 HB VAL 24 5.909 -5.038 1.449 165 HG11 VAL 24 HG11 VAL 24 6.251 -2.728 1.253 166 HG12 VAL 24 HG12 VAL 24 6.393 -2.812 -0.514 167 HG13 VAL 24 HG13 VAL 24 7.649 -3.523 0.512 168 HG21 VAL 24 HG21 VAL 24 3.803 -5.201 0.263 169 HG22 VAL 24 HG22 VAL 24 4.293 -3.833 -0.750 170 HG23 VAL 24 HG23 VAL 24 4.039 -3.604 0.981 171 H GLU 25 H GLU 25 8.056 -5.330 -2.430 172 HA GLU 25 HA GLU 25 10.248 -6.443 -0.974 173 HB2 GLU 25 HB2 GLU 25 10.170 -6.822 -3.357 174 HB3 GLU 25 HB3 GLU 25 10.029 -5.112 -3.684 175 HG2 GLU 25 HG2 GLU 25 12.479 -5.772 -2.255 176 HG3 GLU 25 HG3 GLU 25 12.329 -6.608 -3.804 177 H ASP 26 H ASP 26 9.692 -3.128 -2.282 178 HA ASP 26 HA ASP 26 10.374 -1.775 0.089 179 HB2 ASP 26 HB2 ASP 26 12.690 -2.773 -0.738 180 HB3 ASP 26 HB3 ASP 26 12.590 -1.531 -1.974 181 H ILE 27 H ILE 27 10.992 0.629 -0.652 182 HA ILE 27 HA ILE 27 9.006 1.321 -2.656 183 HB ILE 27 HB ILE 27 10.188 2.986 -0.421 184 HG12 ILE 27 HG12 ILE 27 7.579 1.486 -0.630 185 HG13 ILE 27 HG13 ILE 27 8.936 1.067 0.404 186 HG21 ILE 27 HG21 ILE 27 8.330 4.475 -0.849 187 HG22 ILE 27 HG22 ILE 27 7.853 3.480 -2.237 188 HG23 ILE 27 HG23 ILE 27 9.391 4.337 -2.249 189 HD11 ILE 27 HD11 ILE 27 7.141 2.209 1.588 190 HD12 ILE 27 HD12 ILE 27 7.448 3.605 0.496 191 HD13 ILE 27 HD13 ILE 27 8.723 3.025 1.589 192 H LEU 28 H LEU 28 9.449 2.913 -4.067 193 HA LEU 28 HA LEU 28 12.305 3.294 -4.722 194 HB2 LEU 28 HB2 LEU 28 9.948 3.482 -6.599 195 HB3 LEU 28 HB3 LEU 28 11.611 3.793 -7.041 196 HG LEU 28 HG LEU 28 10.495 1.140 -6.137 197 HD11 LEU 28 HD11 LEU 28 11.434 2.096 -8.830 198 HD12 LEU 28 HD12 LEU 28 9.765 1.775 -8.360 199 HD13 LEU 28 HD13 LEU 28 10.931 0.454 -8.434 200 HD21 LEU 28 HD21 LEU 28 12.817 1.386 -5.430 201 HD22 LEU 28 HD22 LEU 28 13.272 1.899 -7.053 202 HD23 LEU 28 HD23 LEU 28 12.704 0.254 -6.778 203 H ALA 29 H ALA 29 9.368 5.050 -4.033 204 HA ALA 29 HA ALA 29 10.766 7.402 -3.387 205 HB1 ALA 29 HB1 ALA 29 9.131 7.562 -5.936 206 HB2 ALA 29 HB2 ALA 29 10.885 7.710 -5.837 207 HB3 ALA 29 HB3 ALA 29 9.854 8.931 -5.091 208 H ASP 30 H ASP 30 8.968 9.283 -3.125 209 HA ASP 30 HA ASP 30 6.453 8.093 -2.276 210 HB2 ASP 30 HB2 ASP 30 6.552 9.130 -0.071 211 HB3 ASP 30 HB3 ASP 30 7.909 8.039 -0.295 212 H ARG 31 H ARG 31 4.971 9.815 -1.459 213 HA ARG 31 HA ARG 31 5.439 12.533 -2.155 214 HB2 ARG 31 HB2 ARG 31 4.698 11.398 -4.349 215 HB3 ARG 31 HB3 ARG 31 3.165 11.083 -3.547 216 HG2 ARG 31 HG2 ARG 31 3.026 13.583 -3.137 217 HG3 ARG 31 HG3 ARG 31 4.368 13.742 -4.267 218 HD2 ARG 31 HD2 ARG 31 2.354 14.101 -5.482 219 HD3 ARG 31 HD3 ARG 31 2.967 12.512 -5.945 220 HE ARG 31 HE ARG 31 1.301 11.867 -3.967 221 HH11 ARG 31 HH11 ARG 31 0.770 14.018 -6.728 222 HH12 ARG 31 HH12 ARG 31 -0.916 13.720 -6.811 223 HH21 ARG 31 HH21 ARG 31 -0.935 11.437 -4.089 224 HH22 ARG 31 HH22 ARG 31 -1.943 12.205 -5.198 225 H VAL 32 H VAL 32 3.558 13.799 -1.347 226 HA VAL 32 HA VAL 32 1.733 12.336 0.388 227 HB VAL 32 HB VAL 32 3.187 14.899 1.168 228 HG11 VAL 32 HG11 VAL 32 2.198 14.566 3.385 229 HG12 VAL 32 HG12 VAL 32 1.332 13.157 2.777 230 HG13 VAL 32 HG13 VAL 32 0.968 14.757 2.134 231 HG21 VAL 32 HG21 VAL 32 4.760 13.038 1.253 232 HG22 VAL 32 HG22 VAL 32 3.631 12.107 2.233 233 HG23 VAL 32 HG23 VAL 32 4.362 13.575 2.886 234 H ASN 33 H ASN 33 -0.275 13.180 0.292 235 HA ASN 33 HA ASN 33 -0.869 15.251 -1.697 236 HB2 ASN 33 HB2 ASN 33 -2.679 13.664 0.151 237 HB3 ASN 33 HB3 ASN 33 -3.248 14.810 -1.041 238 HD21 ASN 33 HD21 ASN 33 -1.770 11.715 -0.513 239 HD22 ASN 33 HD22 ASN 33 -2.062 11.063 -2.052 240 H LYS 34 H LYS 34 -2.591 16.893 -0.959 241 HA LYS 34 HA LYS 34 -1.720 18.187 1.501 242 HB2 LYS 34 HB2 LYS 34 -3.267 19.983 0.915 243 HB3 LYS 34 HB3 LYS 34 -2.294 19.573 -0.488 244 HG2 LYS 34 HG2 LYS 34 -4.060 18.713 -1.656 245 HG3 LYS 34 HG3 LYS 34 -4.897 18.184 -0.202 246 HD2 LYS 34 HD2 LYS 34 -4.672 21.048 -1.144 247 HD3 LYS 34 HD3 LYS 34 -6.078 20.010 -1.370 248 HE2 LYS 34 HE2 LYS 34 -4.960 21.053 1.251 249 HE3 LYS 34 HE3 LYS 34 -6.510 21.426 0.519 250 HZ1 LYS 34 HZ1 LYS 34 -6.942 19.867 2.238 251 HZ2 LYS 34 HZ2 LYS 34 -5.660 18.906 1.818 252 HZ3 LYS 34 HZ3 LYS 34 -7.024 18.920 0.827 253 H ASN 35 H ASN 35 -4.073 16.056 0.412 254 HA ASN 35 HA ASN 35 -6.047 16.630 2.368 255 HB2 ASN 35 HB2 ASN 35 -5.832 14.254 0.525 256 HB3 ASN 35 HB3 ASN 35 -7.189 14.547 1.612 257 HD21 ASN 35 HD21 ASN 35 -7.232 14.384 -1.271 258 HD22 ASN 35 HD22 ASN 35 -7.834 15.893 -1.833 259 H GLY 36 H GLY 36 -3.164 14.853 2.496 260 HA2 GLY 36 HA2 GLY 36 -2.373 14.266 4.687 261 HA3 GLY 36 HA3 GLY 36 -4.026 13.863 5.126 262 H ILE 37 H ILE 37 -2.879 12.817 2.045 263 HA ILE 37 HA ILE 37 -2.643 10.086 3.123 264 HB ILE 37 HB ILE 37 -3.415 10.941 0.297 265 HG12 ILE 37 HG12 ILE 37 -5.560 9.566 0.920 266 HG13 ILE 37 HG13 ILE 37 -5.011 9.910 2.559 267 HG21 ILE 37 HG21 ILE 37 -2.154 8.916 0.234 268 HG22 ILE 37 HG22 ILE 37 -3.852 8.603 -0.155 269 HG23 ILE 37 HG23 ILE 37 -3.217 8.180 1.441 270 HD11 ILE 37 HD11 ILE 37 -5.172 12.273 2.155 271 HD12 ILE 37 HD12 ILE 37 -6.714 11.484 1.787 272 HD13 ILE 37 HD13 ILE 37 -5.624 11.962 0.478 273 H ASN 38 H ASN 38 -0.683 9.156 2.838 274 HA ASN 38 HA ASN 38 1.240 10.464 1.064 275 HB2 ASN 38 HB2 ASN 38 1.595 8.275 3.151 276 HB3 ASN 38 HB3 ASN 38 2.883 8.867 2.124 277 HD21 ASN 38 HD21 ASN 38 0.489 10.932 3.662 278 HD22 ASN 38 HD22 ASN 38 1.582 11.672 4.783 279 H GLU 39 H GLU 39 2.150 9.250 -0.689 280 HA GLU 39 HA GLU 39 1.336 6.495 -0.871 281 HB2 GLU 39 HB2 GLU 39 0.785 6.589 -3.282 282 HB3 GLU 39 HB3 GLU 39 -0.346 7.502 -2.312 283 HG2 GLU 39 HG2 GLU 39 1.927 8.817 -3.741 284 HG3 GLU 39 HG3 GLU 39 0.404 8.456 -4.546 285 H TYR 40 H TYR 40 2.627 5.196 -2.289 286 HA TYR 40 HA TYR 40 5.339 6.358 -2.565 287 HB2 TYR 40 HB2 TYR 40 4.765 3.691 -1.319 288 HB3 TYR 40 HB3 TYR 40 6.309 4.527 -1.421 289 HD1 TYR 40 HD2 TYR 40 6.715 6.479 -0.050 290 HD2 TYR 40 HD1 TYR 40 3.206 4.166 0.344 291 HE1 TYR 40 HE2 TYR 40 6.258 7.563 2.092 292 HE2 TYR 40 HE1 TYR 40 2.728 5.229 2.490 293 HH TYR 40 HH TYR 40 3.748 6.513 4.219 294 H TYR 41 H TYR 41 6.603 5.341 -4.013 295 HA TYR 41 HA TYR 41 5.330 3.691 -6.018 296 HB2 TYR 41 HB2 TYR 41 7.185 5.520 -6.324 297 HB3 TYR 41 HB3 TYR 41 8.288 4.250 -5.819 298 HD1 TYR 41 HD1 TYR 41 6.711 1.993 -7.282 299 HD2 TYR 41 HD2 TYR 41 8.098 5.814 -8.505 300 HE1 TYR 41 HE1 TYR 41 6.775 1.222 -9.595 301 HE2 TYR 41 HE2 TYR 41 8.174 5.043 -10.838 302 HH TYR 41 HH TYR 41 6.751 2.062 -11.799 303 H ILE 42 H ILE 42 4.909 1.670 -5.225 304 HA ILE 42 HA ILE 42 6.838 0.369 -3.432 305 HB ILE 42 HB ILE 42 4.041 -0.551 -4.151 306 HG12 ILE 42 HG12 ILE 42 3.923 1.623 -3.007 307 HG13 ILE 42 HG13 ILE 42 3.313 0.332 -1.979 308 HG21 ILE 42 HG21 ILE 42 4.244 -1.935 -2.126 309 HG22 ILE 42 HG22 ILE 42 5.901 -1.361 -1.922 310 HG23 ILE 42 HG23 ILE 42 5.474 -2.332 -3.331 311 HD11 ILE 42 HD11 ILE 42 5.528 0.308 -0.840 312 HD12 ILE 42 HD12 ILE 42 4.609 1.791 -0.648 313 HD13 ILE 42 HD13 ILE 42 5.957 1.737 -1.792 314 H LYS 43 H LYS 43 8.005 -1.406 -4.064 315 HA LYS 43 HA LYS 43 7.436 -2.427 -6.725 316 HB2 LYS 43 HB2 LYS 43 9.841 -1.791 -6.077 317 HB3 LYS 43 HB3 LYS 43 9.825 -3.220 -5.046 318 HG2 LYS 43 HG2 LYS 43 9.265 -4.597 -7.034 319 HG3 LYS 43 HG3 LYS 43 9.423 -3.164 -8.031 320 HD2 LYS 43 HD2 LYS 43 11.602 -4.569 -6.472 321 HD3 LYS 43 HD3 LYS 43 11.424 -4.497 -8.219 322 HE2 LYS 43 HE2 LYS 43 13.063 -2.913 -7.892 323 HE3 LYS 43 HE3 LYS 43 11.627 -1.897 -7.793 324 HZ1 LYS 43 HZ1 LYS 43 13.144 -3.044 -5.527 325 HZ2 LYS 43 HZ2 LYS 43 11.777 -2.294 -5.278 326 HZ3 LYS 43 HZ3 LYS 43 13.116 -1.397 -5.877 327 H TRP 44 H TRP 44 5.870 -3.891 -6.659 328 HA TRP 44 HA TRP 44 5.462 -5.471 -4.333 329 HB2 TRP 44 HB2 TRP 44 3.958 -5.593 -6.974 330 HB3 TRP 44 HB3 TRP 44 3.488 -6.264 -5.430 331 HD1 TRP 44 HD1 TRP 44 3.568 -2.961 -7.309 332 HE1 TRP 44 HE1 TRP 44 2.270 -1.206 -5.948 333 HE3 TRP 44 HE3 TRP 44 2.865 -5.649 -3.046 334 HZ2 TRP 44 HZ2 TRP 44 1.105 -1.006 -3.378 335 HZ3 TRP 44 HZ3 TRP 44 1.641 -4.621 -1.192 336 HH2 TRP 44 HH2 TRP 44 0.777 -2.340 -1.355 337 H ALA 45 H ALA 45 6.206 -7.350 -3.978 338 HA ALA 45 HA ALA 45 7.522 -8.831 -6.103 339 HB1 ALA 45 HB1 ALA 45 7.329 -9.378 -3.130 340 HB2 ALA 45 HB2 ALA 45 8.712 -8.682 -3.973 341 HB3 ALA 45 HB3 ALA 45 8.243 -10.354 -4.279 342 H GLY 46 H GLY 46 6.827 -11.087 -6.488 343 HA2 GLY 46 HA2 GLY 46 5.260 -12.852 -6.273 344 HA3 GLY 46 HA3 GLY 46 4.187 -11.754 -5.415 345 H TYR 47 H TYR 47 4.711 -9.674 -7.572 346 HA TYR 47 HA TYR 47 2.804 -10.806 -9.479 347 HB2 TYR 47 HB2 TYR 47 2.427 -8.454 -8.147 348 HB3 TYR 47 HB3 TYR 47 3.311 -7.877 -9.571 349 HD1 TYR 47 HD2 TYR 47 0.911 -10.404 -9.233 350 HD2 TYR 47 HD1 TYR 47 1.864 -6.896 -10.975 351 HE1 TYR 47 HE2 TYR 47 -1.221 -10.573 -10.592 352 HE2 TYR 47 HE1 TYR 47 -0.126 -6.950 -12.435 353 HH TYR 47 HH TYR 47 -1.623 -8.795 -13.313 354 H ASP 48 H ASP 48 2.987 -9.461 -11.482 355 HA ASP 48 HA ASP 48 5.237 -10.218 -12.980 356 HB2 ASP 48 HB2 ASP 48 3.465 -7.800 -13.404 357 HB3 ASP 48 HB3 ASP 48 4.558 -8.472 -14.599 358 H TRP 49 H TRP 49 7.174 -9.237 -13.380 359 HA TRP 49 HA TRP 49 8.317 -7.613 -11.380 360 HB2 TRP 49 HB2 TRP 49 9.394 -8.145 -14.153 361 HB3 TRP 49 HB3 TRP 49 10.325 -7.577 -12.772 362 HD1 TRP 49 HD1 TRP 49 9.040 -10.711 -14.398 363 HE1 TRP 49 HE1 TRP 49 9.780 -12.765 -13.036 364 HE3 TRP 49 HE3 TRP 49 10.782 -8.338 -10.214 365 HZ2 TRP 49 HZ2 TRP 49 10.940 -13.314 -10.529 366 HZ3 TRP 49 HZ3 TRP 49 11.690 -9.703 -8.379 367 HH2 TRP 49 HH2 TRP 49 11.765 -12.138 -8.535 368 H TYR 50 H TYR 50 6.573 -6.729 -14.100 369 HA TYR 50 HA TYR 50 7.653 -4.013 -14.181 370 HB2 TYR 50 HB2 TYR 50 6.323 -3.795 -16.302 371 HB3 TYR 50 HB3 TYR 50 7.574 -5.026 -16.361 372 HD1 TYR 50 HD1 TYR 50 6.969 -7.407 -16.457 373 HD2 TYR 50 HD2 TYR 50 3.959 -4.395 -16.416 374 HE1 TYR 50 HE1 TYR 50 5.310 -9.062 -17.194 375 HE2 TYR 50 HE2 TYR 50 2.290 -6.049 -17.145 376 HH TYR 50 HH TYR 50 2.776 -9.295 -16.943 377 H ASP 51 H ASP 51 5.740 -5.173 -12.055 378 HA ASP 51 HA ASP 51 3.225 -3.866 -12.718 379 HB2 ASP 51 HB2 ASP 51 2.265 -5.087 -11.085 380 HB3 ASP 51 HB3 ASP 51 3.553 -6.219 -11.534 381 H ASN 52 H ASN 52 6.007 -3.269 -10.825 382 HA ASN 52 HA ASN 52 5.038 -2.042 -8.592 383 HB2 ASN 52 HB2 ASN 52 7.171 -0.898 -8.318 384 HB3 ASN 52 HB3 ASN 52 7.413 -2.531 -8.901 385 HD21 ASN 52 HD21 ASN 52 6.690 -1.554 -11.712 386 HD22 ASN 52 HD22 ASN 52 8.136 -0.758 -12.234 387 H THR 53 H THR 53 4.329 -0.137 -7.922 388 HA THR 53 HA THR 53 3.932 2.030 -9.769 389 HB THR 53 HB THR 53 2.156 0.446 -10.448 390 HG1 THR 53 HG1 THR 53 0.386 2.106 -9.384 391 HG21 THR 53 HG21 THR 53 1.843 -0.756 -8.333 392 HG22 THR 53 HG22 THR 53 0.305 -0.116 -8.904 393 HG23 THR 53 HG23 THR 53 1.163 0.696 -7.596 394 H TRP 54 H TRP 54 2.370 3.608 -8.639 395 HA TRP 54 HA TRP 54 3.266 4.029 -5.894 396 HB2 TRP 54 HB2 TRP 54 1.477 5.714 -7.674 397 HB3 TRP 54 HB3 TRP 54 2.061 6.185 -6.085 398 HD1 TRP 54 HD1 TRP 54 3.418 5.447 -9.626 399 HE1 TRP 54 HE1 TRP 54 5.551 6.811 -9.966 400 HE3 TRP 54 HE3 TRP 54 3.853 7.458 -4.928 401 HZ2 TRP 54 HZ2 TRP 54 7.212 8.534 -8.453 402 HZ3 TRP 54 HZ3 TRP 54 5.735 8.951 -4.477 403 HH2 TRP 54 HH2 TRP 54 7.378 9.480 -6.195 404 H GLU 55 H GLU 55 2.013 3.627 -4.153 405 HA GLU 55 HA GLU 55 -0.857 3.119 -4.545 406 HB2 GLU 55 HB2 GLU 55 1.019 1.153 -4.401 407 HB3 GLU 55 HB3 GLU 55 0.731 1.410 -2.695 408 HG2 GLU 55 HG2 GLU 55 -1.609 1.013 -4.450 409 HG3 GLU 55 HG3 GLU 55 -0.589 -0.375 -4.140 410 HA PRO 56 HA PRO 56 -0.783 5.820 -0.945 411 HB2 PRO 56 HB2 PRO 56 -3.157 5.169 0.260 412 HB3 PRO 56 HB3 PRO 56 -3.055 6.183 -1.204 413 HG2 PRO 56 HG2 PRO 56 -3.752 3.319 -0.915 414 HG3 PRO 56 HG3 PRO 56 -4.414 4.541 -2.017 415 HD2 PRO 56 HD2 PRO 56 -2.616 2.670 -2.802 416 HD3 PRO 56 HD3 PRO 56 -2.745 4.275 -3.545 417 H GLU 57 H GLU 57 -0.558 5.908 1.261 418 HA GLU 57 HA GLU 57 0.894 3.864 2.492 419 HB2 GLU 57 HB2 GLU 57 1.129 6.289 2.918 420 HB3 GLU 57 HB3 GLU 57 -0.422 6.285 3.710 421 HG2 GLU 57 HG2 GLU 57 0.402 5.001 5.538 422 HG3 GLU 57 HG3 GLU 57 1.925 4.685 4.704 423 H GLN 58 H GLN 58 -2.446 4.515 2.522 424 HA GLN 58 HA GLN 58 -3.181 3.312 4.956 425 HB2 GLN 58 HB2 GLN 58 -4.819 3.674 2.445 426 HB3 GLN 58 HB3 GLN 58 -5.469 3.245 4.022 427 HG2 GLN 58 HG2 GLN 58 -4.021 5.805 3.350 428 HG3 GLN 58 HG3 GLN 58 -5.761 5.623 3.566 429 HE21 GLN 58 HE21 GLN 58 -3.805 7.297 5.052 430 HE22 GLN 58 HE22 GLN 58 -3.973 6.790 6.690 431 H ASN 59 H ASN 59 -2.544 1.880 1.775 432 HA ASN 59 HA ASN 59 -3.585 -0.645 2.714 433 HB2 ASN 59 HB2 ASN 59 -2.471 0.206 0.065 434 HB3 ASN 59 HB3 ASN 59 -2.736 -1.481 0.439 435 HD21 ASN 59 HD21 ASN 59 -4.805 1.160 1.435 436 HD22 ASN 59 HD22 ASN 59 -6.132 0.746 0.377 437 H LEU 60 H LEU 60 -0.815 0.982 3.168 438 HA LEU 60 HA LEU 60 1.091 -1.204 2.850 439 HB2 LEU 60 HB2 LEU 60 1.320 1.731 3.427 440 HB3 LEU 60 HB3 LEU 60 2.640 0.671 3.851 441 HG LEU 60 HG LEU 60 2.997 1.860 1.709 442 HD11 LEU 60 HD11 LEU 60 4.141 -0.200 2.048 443 HD12 LEU 60 HD12 LEU 60 3.642 -0.071 0.361 444 HD13 LEU 60 HD13 LEU 60 2.754 -1.118 1.463 445 HD21 LEU 60 HD21 LEU 60 0.708 1.964 0.895 446 HD22 LEU 60 HD22 LEU 60 0.692 0.212 0.700 447 HD23 LEU 60 HD23 LEU 60 1.768 1.199 -0.290 448 H PHE 61 H PHE 61 -1.072 -1.080 4.888 449 HA PHE 61 HA PHE 61 -0.267 -0.586 7.484 450 HB2 PHE 61 HB2 PHE 61 -2.129 -1.955 8.201 451 HB3 PHE 61 HB3 PHE 61 -2.576 -1.189 6.679 452 HD1 PHE 61 HD2 PHE 61 -2.489 -2.544 4.554 453 HD2 PHE 61 HD1 PHE 61 -2.188 -4.302 8.419 454 HE1 PHE 61 HE2 PHE 61 -3.068 -4.733 3.604 455 HE2 PHE 61 HE1 PHE 61 -2.770 -6.493 7.471 456 HZ PHE 61 HZ PHE 61 -3.212 -6.710 5.058 457 H GLY 62 H GLY 62 0.516 -3.435 5.550 458 HA2 GLY 62 HA2 GLY 62 1.692 -4.802 7.855 459 HA3 GLY 62 HA3 GLY 62 1.513 -5.467 6.234 460 H ALA 63 H ALA 63 2.558 -2.812 5.291 461 HA ALA 63 HA ALA 63 5.389 -3.603 5.152 462 HB1 ALA 63 HB1 ALA 63 3.942 -3.170 3.146 463 HB2 ALA 63 HB2 ALA 63 5.441 -2.266 3.248 464 HB3 ALA 63 HB3 ALA 63 3.918 -1.476 3.667 465 H GLU 64 H GLU 64 4.130 -2.355 7.494 466 HA GLU 64 HA GLU 64 4.861 0.304 7.853 467 HB2 GLU 64 HB2 GLU 64 3.410 -0.829 9.411 468 HB3 GLU 64 HB3 GLU 64 4.619 -2.039 9.755 469 HG2 GLU 64 HG2 GLU 64 5.189 0.793 10.488 470 HG3 GLU 64 HG3 GLU 64 4.034 -0.119 11.456 471 H LYS 65 H LYS 65 6.663 -2.584 8.001 472 HA LYS 65 HA LYS 65 9.073 -1.542 9.024 473 HB2 LYS 65 HB2 LYS 65 8.413 -4.075 7.559 474 HB3 LYS 65 HB3 LYS 65 10.089 -3.658 7.874 475 HG2 LYS 65 HG2 LYS 65 9.226 -5.205 9.564 476 HG3 LYS 65 HG3 LYS 65 9.647 -3.659 10.286 477 HD2 LYS 65 HD2 LYS 65 7.241 -3.035 10.236 478 HD3 LYS 65 HD3 LYS 65 6.869 -4.634 9.596 479 HE2 LYS 65 HE2 LYS 65 7.702 -5.682 11.612 480 HE3 LYS 65 HE3 LYS 65 8.252 -4.127 12.232 481 HZ1 LYS 65 HZ1 LYS 65 5.394 -4.855 11.746 482 HZ2 LYS 65 HZ2 LYS 65 5.984 -3.372 12.266 483 HZ3 LYS 65 HZ3 LYS 65 6.155 -4.704 13.262 484 H VAL 66 H VAL 66 8.015 -2.058 5.640 485 HA VAL 66 HA VAL 66 10.490 -1.066 4.606 486 HB VAL 66 HB VAL 66 9.616 -1.132 2.430 487 HG11 VAL 66 HG11 VAL 66 9.910 -3.305 3.317 488 HG12 VAL 66 HG12 VAL 66 8.594 -3.264 2.154 489 HG13 VAL 66 HG13 VAL 66 8.239 -3.312 3.879 490 HG21 VAL 66 HG21 VAL 66 7.228 -1.257 1.847 491 HG22 VAL 66 HG22 VAL 66 7.654 0.217 2.708 492 HG23 VAL 66 HG23 VAL 66 6.846 -1.084 3.571 493 H LEU 67 H LEU 67 7.481 0.308 5.526 494 HA LEU 67 HA LEU 67 7.675 2.846 4.465 495 HB2 LEU 67 HB2 LEU 67 5.694 1.873 5.542 496 HB3 LEU 67 HB3 LEU 67 6.509 1.896 7.083 497 HG LEU 67 HG LEU 67 6.555 4.369 7.015 498 HD11 LEU 67 HD11 LEU 67 6.535 4.682 4.616 499 HD12 LEU 67 HD12 LEU 67 5.184 5.529 5.364 500 HD13 LEU 67 HD13 LEU 67 4.911 4.004 4.524 501 HD21 LEU 67 HD21 LEU 67 4.751 3.205 8.174 502 HD22 LEU 67 HD22 LEU 67 3.824 3.132 6.675 503 HD23 LEU 67 HD23 LEU 67 4.162 4.690 7.426 504 H LYS 68 H LYS 68 8.852 1.493 7.501 505 HA LYS 68 HA LYS 68 10.180 3.777 8.465 506 HB2 LYS 68 HB2 LYS 68 10.855 0.865 8.932 507 HB3 LYS 68 HB3 LYS 68 11.466 2.213 9.877 508 HG2 LYS 68 HG2 LYS 68 8.566 1.440 9.650 509 HG3 LYS 68 HG3 LYS 68 9.631 0.992 10.980 510 HD2 LYS 68 HD2 LYS 68 9.919 3.321 11.579 511 HD3 LYS 68 HD3 LYS 68 8.978 3.830 10.177 512 HE2 LYS 68 HE2 LYS 68 7.683 3.874 12.291 513 HE3 LYS 68 HE3 LYS 68 6.991 2.812 11.069 514 HZ1 LYS 68 HZ1 LYS 68 8.714 1.829 13.298 515 HZ2 LYS 68 HZ2 LYS 68 7.808 0.927 12.168 516 HZ3 LYS 68 HZ3 LYS 68 7.016 1.827 13.308 517 H LYS 69 H LYS 69 11.338 1.060 6.484 518 HA LYS 69 HA LYS 69 14.037 1.785 6.254 519 HB2 LYS 69 HB2 LYS 69 12.292 0.450 4.164 520 HB3 LYS 69 HB3 LYS 69 14.023 0.628 4.007 521 HG2 LYS 69 HG2 LYS 69 14.248 -0.773 6.098 522 HG3 LYS 69 HG3 LYS 69 12.513 -1.075 5.986 523 HD2 LYS 69 HD2 LYS 69 14.477 -1.690 3.749 524 HD3 LYS 69 HD3 LYS 69 13.964 -2.872 4.945 525 HE2 LYS 69 HE2 LYS 69 11.716 -2.818 4.155 526 HE3 LYS 69 HE3 LYS 69 12.023 -1.397 3.157 527 HZ1 LYS 69 HZ1 LYS 69 13.289 -4.073 2.635 528 HZ2 LYS 69 HZ2 LYS 69 13.344 -2.646 1.701 529 HZ3 LYS 69 HZ3 LYS 69 11.929 -3.479 1.815 530 H TRP 70 H TRP 70 11.328 2.640 4.161 531 HA TRP 70 HA TRP 70 12.889 4.225 2.465 532 HB2 TRP 70 HB2 TRP 70 10.890 3.301 1.564 533 HB3 TRP 70 HB3 TRP 70 9.909 4.126 2.794 534 HD1 TRP 70 HD1 TRP 70 9.139 6.505 2.297 535 HE1 TRP 70 HE1 TRP 70 9.726 8.274 0.573 536 HE3 TRP 70 HE3 TRP 70 12.875 4.036 -0.142 537 HZ2 TRP 70 HZ2 TRP 70 11.497 8.585 -1.605 538 HZ3 TRP 70 HZ3 TRP 70 13.968 5.139 -2.047 539 HH2 TRP 70 HH2 TRP 70 13.291 7.370 -2.765 540 H LYS 71 H LYS 71 10.579 5.210 5.005 541 HA LYS 71 HA LYS 71 11.200 7.894 4.528 542 HB2 LYS 71 HB2 LYS 71 9.670 6.656 6.809 543 HB3 LYS 71 HB3 LYS 71 10.049 8.399 6.717 544 HG2 LYS 71 HG2 LYS 71 8.825 8.594 4.659 545 HG3 LYS 71 HG3 LYS 71 8.508 6.862 4.646 546 HD2 LYS 71 HD2 LYS 71 7.065 7.035 6.566 547 HD3 LYS 71 HD3 LYS 71 7.557 8.705 6.857 548 HE2 LYS 71 HE2 LYS 71 6.486 9.433 4.819 549 HE3 LYS 71 HE3 LYS 71 6.146 7.774 4.356 550 HZ1 LYS 71 HZ1 LYS 71 4.875 9.076 6.761 551 HZ2 LYS 71 HZ2 LYS 71 4.376 7.636 5.968 552 HZ3 LYS 71 HZ3 LYS 71 4.252 9.066 5.214 553 H LYS 72 H LYS 72 12.840 5.598 6.349 554 HA LYS 72 HA LYS 72 14.666 7.334 7.714 555 HB2 LYS 72 HB2 LYS 72 14.453 4.833 8.122 556 HB3 LYS 72 HB3 LYS 72 15.124 4.597 6.511 557 HG2 LYS 72 HG2 LYS 72 16.698 6.185 8.479 558 HG3 LYS 72 HG3 LYS 72 16.655 4.429 8.630 559 HD2 LYS 72 HD2 LYS 72 17.807 4.099 6.674 560 HD3 LYS 72 HD3 LYS 72 17.183 5.575 5.940 561 HE2 LYS 72 HE2 LYS 72 19.191 5.466 8.155 562 HE3 LYS 72 HE3 LYS 72 19.582 5.672 6.426 563 HZ1 LYS 72 HZ1 LYS 72 19.542 7.843 7.443 564 HZ2 LYS 72 HZ2 LYS 72 18.070 7.513 8.197 565 HZ3 LYS 72 HZ3 LYS 72 18.107 7.702 6.537 566 H ARG 73 H ARG 73 14.480 6.010 4.471 567 HA ARG 73 HA ARG 73 17.137 6.810 3.645 568 HB2 ARG 73 HB2 ARG 73 15.722 4.833 3.024 569 HB3 ARG 73 HB3 ARG 73 14.817 5.943 2.020 570 HG2 ARG 73 HG2 ARG 73 16.831 6.441 0.766 571 HG3 ARG 73 HG3 ARG 73 17.730 5.300 1.784 572 HD2 ARG 73 HD2 ARG 73 15.424 4.733 -0.025 573 HD3 ARG 73 HD3 ARG 73 17.097 4.143 -0.138 574 HE ARG 73 HE ARG 73 16.358 3.199 2.248 575 HH11 ARG 73 HH11 ARG 73 14.497 3.086 -0.829 576 HH12 ARG 73 HH12 ARG 73 13.787 1.588 -0.441 577 HH21 ARG 73 HH21 ARG 73 15.366 1.014 2.606 578 HH22 ARG 73 HH22 ARG 73 14.317 0.410 1.390 579 H LYS 74 H LYS 74 13.836 8.060 3.289 580 HA LYS 74 HA LYS 74 14.937 10.556 2.211 581 HB2 LYS 74 HB2 LYS 74 13.537 8.927 0.560 582 HB3 LYS 74 HB3 LYS 74 12.186 9.667 1.396 583 HG2 LYS 74 HG2 LYS 74 14.324 11.172 -0.131 584 HG3 LYS 74 HG3 LYS 74 12.744 10.758 -0.760 585 HD2 LYS 74 HD2 LYS 74 12.996 12.437 1.730 586 HD3 LYS 74 HD3 LYS 74 13.229 13.171 0.151 587 HE2 LYS 74 HE2 LYS 74 10.963 13.571 0.721 588 HE3 LYS 74 HE3 LYS 74 10.925 12.270 -0.454 589 HZ1 LYS 74 HZ1 LYS 74 9.415 11.828 1.248 590 HZ2 LYS 74 HZ2 LYS 74 10.557 12.060 2.482 591 HZ3 LYS 74 HZ3 LYS 74 10.651 10.715 1.393 592 H LYS 75 H LYS 75 14.274 12.173 3.543 593 HA LYS 75 HA LYS 75 12.775 11.326 5.720 594 HB2 LYS 75 HB2 LYS 75 13.815 14.052 5.131 595 HB3 LYS 75 HB3 LYS 75 12.772 13.727 6.507 596 HG2 LYS 75 HG2 LYS 75 15.514 12.642 5.962 597 HG3 LYS 75 HG3 LYS 75 14.991 13.655 7.298 598 HD2 LYS 75 HD2 LYS 75 14.383 10.708 6.850 599 HD3 LYS 75 HD3 LYS 75 15.324 11.426 8.137 600 HE2 LYS 75 HE2 LYS 75 13.358 10.955 9.262 601 HE3 LYS 75 HE3 LYS 75 13.032 12.603 8.746 602 HZ1 LYS 75 HZ1 LYS 75 11.587 11.750 6.952 603 HZ2 LYS 75 HZ2 LYS 75 11.147 10.964 8.354 604 HZ3 LYS 75 HZ3 LYS 75 12.144 10.201 7.232 605 H1 ALA 1 H1 ALA 1 9.035 -20.776 2.730 606 H2 ALA 1 H2 ALA 1 10.523 -21.161 3.370 607 H3 ALA 1 H3 ALA 1 10.071 -21.790 1.837 608 HA ALA 1 HA ALA 1 11.617 -19.914 1.643 609 HB1 ALA 1 HB1 ALA 1 8.771 -19.225 0.857 610 HB2 ALA 1 HB2 ALA 1 9.903 -20.177 -0.103 611 HB3 ALA 1 HB3 ALA 1 10.225 -18.470 0.202 612 H ARG 2 H ARG 2 11.755 -17.456 1.948 613 HA ARG 2 HA ARG 2 10.687 -16.869 4.593 614 HB2 ARG 2 HB2 ARG 2 12.907 -15.507 3.045 615 HB3 ARG 2 HB3 ARG 2 12.322 -14.972 4.610 616 HG2 ARG 2 HG2 ARG 2 12.989 -17.189 5.540 617 HG3 ARG 2 HG3 ARG 2 13.713 -17.566 3.977 618 HD2 ARG 2 HD2 ARG 2 14.477 -15.254 5.770 619 HD3 ARG 2 HD3 ARG 2 15.383 -16.750 5.579 620 HE ARG 2 HE ARG 2 14.997 -15.507 3.081 621 HH11 ARG 2 HH11 ARG 2 16.905 -15.166 6.040 622 HH12 ARG 2 HH12 ARG 2 18.214 -14.364 5.319 623 HH21 ARG 2 HH21 ARG 2 16.819 -14.382 2.027 624 HH22 ARG 2 HH22 ARG 2 18.154 -13.902 2.952 625 H THR 3 H THR 3 8.830 -15.900 4.581 626 HA THR 3 HA THR 3 7.857 -14.351 2.435 627 HB THR 3 HB THR 3 6.801 -14.637 5.263 628 HG1 THR 3 HG1 THR 3 5.686 -16.224 3.365 629 HG21 THR 3 HG21 THR 3 5.677 -12.926 3.862 630 HG22 THR 3 HG22 THR 3 4.609 -14.293 4.181 631 HG23 THR 3 HG23 THR 3 5.403 -14.141 2.615 632 H LYS 4 H LYS 4 7.488 -12.129 2.477 633 HA LYS 4 HA LYS 4 9.073 -10.589 4.418 634 HB2 LYS 4 HB2 LYS 4 9.545 -9.009 2.614 635 HB3 LYS 4 HB3 LYS 4 10.064 -10.625 2.148 636 HG2 LYS 4 HG2 LYS 4 7.731 -10.784 1.050 637 HG3 LYS 4 HG3 LYS 4 7.736 -9.033 1.178 638 HD2 LYS 4 HD2 LYS 4 8.422 -9.842 -0.976 639 HD3 LYS 4 HD3 LYS 4 9.746 -8.923 -0.218 640 HE2 LYS 4 HE2 LYS 4 10.570 -10.958 -1.337 641 HE3 LYS 4 HE3 LYS 4 10.807 -11.104 0.396 642 HZ1 LYS 4 HZ1 LYS 4 9.872 -13.199 -0.496 643 HZ2 LYS 4 HZ2 LYS 4 8.567 -12.332 -1.163 644 HZ3 LYS 4 HZ3 LYS 4 8.677 -12.446 0.420 645 H GLN 5 H GLN 5 8.226 -8.325 4.554 646 HA GLN 5 HA GLN 5 5.530 -8.312 5.316 647 HB2 GLN 5 HB2 GLN 5 5.755 -5.755 5.232 648 HB3 GLN 5 HB3 GLN 5 6.774 -6.594 6.395 649 HG2 GLN 5 HG2 GLN 5 7.615 -5.539 3.696 650 HG3 GLN 5 HG3 GLN 5 7.795 -4.694 5.228 651 HE21 GLN 5 HE21 GLN 5 9.363 -5.443 6.722 652 HE22 GLN 5 HE22 GLN 5 10.630 -6.509 6.213 653 H THR 6 H THR 6 3.658 -7.314 4.395 654 HA THR 6 HA THR 6 3.851 -7.025 1.508 655 HB THR 6 HB THR 6 2.051 -8.473 1.123 656 HG1 THR 6 HG1 THR 6 0.992 -9.540 2.977 657 HG21 THR 6 HG21 THR 6 2.788 -10.649 1.896 658 HG22 THR 6 HG22 THR 6 3.624 -9.896 3.248 659 HG23 THR 6 HG23 THR 6 4.201 -9.615 1.615 660 H ALA 7 H ALA 7 1.763 -6.043 0.656 661 HA ALA 7 HA ALA 7 0.183 -4.640 2.641 662 HB1 ALA 7 HB1 ALA 7 0.410 -2.519 1.377 663 HB2 ALA 7 HB2 ALA 7 1.669 -3.270 0.391 664 HB3 ALA 7 HB3 ALA 7 1.921 -3.039 2.120 665 H ARG 8 H ARG 8 -1.653 -3.502 1.330 666 HA ARG 8 HA ARG 8 -2.929 -5.630 0.007 667 HB2 ARG 8 HB2 ARG 8 -3.909 -2.799 -0.133 668 HB3 ARG 8 HB3 ARG 8 -4.768 -4.251 -0.499 669 HG2 ARG 8 HG2 ARG 8 -4.333 -4.876 1.998 670 HG3 ARG 8 HG3 ARG 8 -4.060 -3.113 2.117 671 HD2 ARG 8 HD2 ARG 8 -6.412 -3.749 2.528 672 HD3 ARG 8 HD3 ARG 8 -6.180 -2.619 1.191 673 HE ARG 8 HE ARG 8 -6.798 -5.507 0.909 674 HH11 ARG 8 HH11 ARG 8 -6.498 -2.328 -0.672 675 HH12 ARG 8 HH12 ARG 8 -7.487 -2.770 -1.985 676 HH21 ARG 8 HH21 ARG 8 -7.988 -6.077 -0.783 677 HH22 ARG 8 HH22 ARG 8 -8.406 -5.058 -2.099 678 H M3L 9 H M3L 9 -2.114 -2.455 -1.366 679 HA M3L 9 HA M3L 9 -1.805 -1.713 -3.385 680 HB2 M3L 9 1HB M3L 9 -0.476 -3.693 -4.018 681 HB3 M3L 9 2HB M3L 9 -1.960 -4.520 -4.473 682 HG2 M3L 9 1HG M3L 9 -0.911 -1.999 -5.737 683 HG3 M3L 9 2HG M3L 9 -2.373 -2.867 -6.206 684 HD2 M3L 9 1HD M3L 9 -0.139 -3.234 -7.490 685 HD3 M3L 9 2HD M3L 9 0.246 -4.289 -6.137 686 HE2 M3L 9 1HE M3L 9 -2.214 -4.508 -7.875 687 HE3 M3L 9 2HE M3L 9 -1.867 -5.518 -6.513 688 HM11 M3L 9 1HM1 M3L 9 -0.751 -7.769 -9.400 689 HM12 M3L 9 2HM1 M3L 9 -1.777 -7.676 -7.972 690 HM13 M3L 9 3HM1 M3L 9 -2.173 -6.744 -9.367 691 HM21 M3L 9 1HM2 M3L 9 0.932 -7.428 -7.654 692 HM22 M3L 9 2HM2 M3L 9 0.467 -6.390 -6.319 693 HM23 M3L 9 3HM2 M3L 9 1.545 -5.831 -7.556 694 HM31 M3L 9 3HM3 M3L 9 1.122 -5.189 -9.399 695 HM32 M3L 9 1HM3 M3L 9 -0.329 -5.367 -10.342 696 HM33 M3L 9 2HM3 M3L 9 -0.126 -4.007 -9.265 697 H SER 10 H SER 10 -3.609 -0.543 -3.330 698 HA SER 10 HA SER 10 -6.157 -1.564 -3.590 699 HB2 SER 10 HB2 SER 10 -6.732 0.907 -4.140 700 HB3 SER 10 HB3 SER 10 -6.032 0.527 -2.569 701 HG SER 10 HG SER 10 -4.042 1.243 -3.310 702 H THR 11 H THR 11 -6.343 -2.913 -5.372 703 HA THR 11 HA THR 11 -6.035 -1.713 -8.035 704 HB THR 11 HB THR 11 -6.005 -4.658 -7.332 705 HG1 THR 11 HG1 THR 11 -4.307 -3.354 -6.353 706 HG21 THR 11 HG21 THR 11 -4.998 -3.128 -9.748 707 HG22 THR 11 HG22 THR 11 -6.471 -4.093 -9.693 708 HG23 THR 11 HG23 THR 11 -4.900 -4.874 -9.521 709 H GLY 12 H GLY 12 -7.909 -1.554 -9.221 710 HA2 GLY 12 HA2 GLY 12 -9.834 -3.351 -9.606 711 HA3 GLY 12 HA3 GLY 12 -10.341 -2.563 -8.114 712 H GLY 13 H GLY 13 -12.153 -1.954 -9.499 713 HA2 GLY 13 HA2 GLY 13 -11.586 0.677 -10.677 714 HA3 GLY 13 HA3 GLY 13 -12.515 -0.491 -11.618 715 H LYS 14 H LYS 14 -12.778 -0.544 -8.231 716 HA LYS 14 HA LYS 14 -15.016 1.165 -7.882 717 HB2 LYS 14 HB2 LYS 14 -15.355 -1.867 -7.708 718 HB3 LYS 14 HB3 LYS 14 -16.457 -0.726 -6.963 719 HG2 LYS 14 HG2 LYS 14 -15.933 -0.945 -9.926 720 HG3 LYS 14 HG3 LYS 14 -17.307 -1.663 -9.084 721 HD2 LYS 14 HD2 LYS 14 -18.155 0.501 -8.483 722 HD3 LYS 14 HD3 LYS 14 -16.691 1.296 -9.058 723 HE2 LYS 14 HE2 LYS 14 -18.674 -0.202 -10.770 724 HE3 LYS 14 HE3 LYS 14 -18.535 1.552 -10.648 725 HZ1 LYS 14 HZ1 LYS 14 -17.352 0.873 -12.600 726 HZ2 LYS 14 HZ2 LYS 14 -16.546 -0.342 -11.750 727 HZ3 LYS 14 HZ3 LYS 14 -16.170 1.253 -11.432 728 H ALA 15 H ALA 15 -15.505 1.185 -5.516 729 HA ALA 15 HA ALA 15 -13.481 -0.109 -3.916 730 HB1 ALA 15 HB1 ALA 15 -12.598 2.126 -4.382 731 HB2 ALA 15 HB2 ALA 15 -13.087 2.007 -2.692 732 HB3 ALA 15 HB3 ALA 15 -14.116 2.850 -3.849 733 HA PRO 16 HA PRO 16 -17.289 -0.686 -1.630 734 HB2 PRO 16 HB2 PRO 16 -15.698 -1.521 0.675 735 HB3 PRO 16 HB3 PRO 16 -16.753 -2.514 -0.350 736 HG2 PRO 16 HG2 PRO 16 -14.079 -2.792 -0.346 737 HG3 PRO 16 HG3 PRO 16 -15.087 -3.102 -1.773 738 HD2 PRO 16 HD2 PRO 16 -13.400 -0.721 -1.153 739 HD3 PRO 16 HD3 PRO 16 -13.663 -1.578 -2.690 740 H ARG 17 H ARG 17 -17.911 1.426 -1.327 741 HA ARG 17 HA ARG 17 -17.298 2.568 1.279 742 HB2 ARG 17 HB2 ARG 17 -15.903 3.625 -0.655 743 HB3 ARG 17 HB3 ARG 17 -17.437 4.259 -1.222 744 HG2 ARG 17 HG2 ARG 17 -17.529 5.104 1.333 745 HG3 ARG 17 HG3 ARG 17 -15.783 5.079 1.088 746 HD2 ARG 17 HD2 ARG 17 -16.526 7.257 0.489 747 HD3 ARG 17 HD3 ARG 17 -16.187 6.411 -1.025 748 HE ARG 17 HE ARG 17 -18.907 6.506 0.084 749 HH11 ARG 17 HH11 ARG 17 -16.738 7.401 -2.562 750 HH12 ARG 17 HH12 ARG 17 -18.003 7.749 -3.662 751 HH21 ARG 17 HH21 ARG 17 -20.577 6.889 -1.352 752 HH22 ARG 17 HH22 ARG 17 -20.332 7.449 -2.937 753 H TYR 18 H TYR 18 -19.054 4.208 1.742 754 HA TYR 18 HA TYR 18 -21.487 3.668 0.253 755 HB2 TYR 18 HB2 TYR 18 -21.105 4.547 3.145 756 HB3 TYR 18 HB3 TYR 18 -22.659 4.328 2.347 757 HD1 TYR 18 HD1 TYR 18 -23.340 2.015 1.627 758 HD2 TYR 18 HD2 TYR 18 -19.961 2.711 4.115 759 HE1 TYR 18 HE1 TYR 18 -23.360 -0.348 2.307 760 HE2 TYR 18 HE2 TYR 18 -19.971 0.351 4.800 761 HH TYR 18 HH TYR 18 -21.550 -1.521 4.923 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -34.322 1.268 13.919 2 H2 MET 1 H2 MET 1 -32.995 2.070 14.536 3 H3 MET 1 H3 MET 1 -34.555 2.484 15.107 4 HA MET 1 HA MET 1 -33.330 1.135 16.682 5 HB2 MET 1 HB2 MET 1 -35.445 -0.537 15.275 6 HB3 MET 1 HB3 MET 1 -34.907 -0.734 16.935 7 HG2 MET 1 HG2 MET 1 -36.524 1.511 15.767 8 HG3 MET 1 HG3 MET 1 -36.999 0.360 17.018 9 HE1 MET 1 HE1 MET 1 -37.845 2.274 18.630 10 HE2 MET 1 HE2 MET 1 -37.462 3.465 17.386 11 HE3 MET 1 HE3 MET 1 -36.889 3.699 19.037 12 H VAL 2 H VAL 2 -32.579 -1.258 17.022 13 HA VAL 2 HA VAL 2 -31.406 -2.253 14.571 14 HB VAL 2 HB VAL 2 -29.690 -0.856 15.703 15 HG11 VAL 2 HG11 VAL 2 -30.429 -0.983 17.988 16 HG12 VAL 2 HG12 VAL 2 -28.747 -1.502 17.874 17 HG13 VAL 2 HG13 VAL 2 -30.029 -2.699 18.056 18 HG21 VAL 2 HG21 VAL 2 -29.097 -3.815 15.853 19 HG22 VAL 2 HG22 VAL 2 -27.885 -2.536 15.852 20 HG23 VAL 2 HG23 VAL 2 -28.909 -2.779 14.437 21 H SER 3 H SER 3 -31.209 -4.487 14.561 22 HA SER 3 HA SER 3 -32.415 -5.848 16.840 23 HB2 SER 3 HB2 SER 3 -32.922 -7.639 15.067 24 HB3 SER 3 HB3 SER 3 -33.849 -6.145 14.957 25 HG SER 3 HG SER 3 -33.057 -5.819 13.096 26 H VAL 4 H VAL 4 -30.999 -7.067 17.994 27 HA VAL 4 HA VAL 4 -28.409 -7.489 16.766 28 HB VAL 4 HB VAL 4 -28.393 -6.375 18.951 29 HG11 VAL 4 HG11 VAL 4 -29.043 -7.522 21.017 30 HG12 VAL 4 HG12 VAL 4 -29.687 -8.856 20.059 31 HG13 VAL 4 HG13 VAL 4 -30.411 -7.255 19.937 32 HG21 VAL 4 HG21 VAL 4 -26.462 -7.751 18.412 33 HG22 VAL 4 HG22 VAL 4 -27.253 -9.167 19.096 34 HG23 VAL 4 HG23 VAL 4 -26.789 -7.827 20.144 35 H LYS 5 H LYS 5 -27.734 -9.304 16.159 36 HA LYS 5 HA LYS 5 -29.324 -11.723 16.599 37 HB2 LYS 5 HB2 LYS 5 -27.524 -10.982 14.273 38 HB3 LYS 5 HB3 LYS 5 -28.603 -12.372 14.369 39 HG2 LYS 5 HG2 LYS 5 -30.536 -10.970 14.331 40 HG3 LYS 5 HG3 LYS 5 -29.546 -9.523 14.482 41 HD2 LYS 5 HD2 LYS 5 -28.543 -10.071 12.265 42 HD3 LYS 5 HD3 LYS 5 -29.707 -11.396 12.125 43 HE2 LYS 5 HE2 LYS 5 -30.538 -9.421 10.964 44 HE3 LYS 5 HE3 LYS 5 -31.553 -9.792 12.358 45 HZ1 LYS 5 HZ1 LYS 5 -29.508 -7.626 12.165 46 HZ2 LYS 5 HZ2 LYS 5 -30.228 -8.067 13.605 47 HZ3 LYS 5 HZ3 LYS 5 -31.175 -7.436 12.399 48 HA PRO 6 HA PRO 6 -25.434 -13.340 18.238 49 HB2 PRO 6 HB2 PRO 6 -25.848 -15.864 16.752 50 HB3 PRO 6 HB3 PRO 6 -25.799 -15.620 18.511 51 HG2 PRO 6 HG2 PRO 6 -28.073 -16.237 17.276 52 HG3 PRO 6 HG3 PRO 6 -28.026 -15.140 18.672 53 HD2 PRO 6 HD2 PRO 6 -28.289 -14.468 15.776 54 HD3 PRO 6 HD3 PRO 6 -29.111 -13.762 17.184 55 H LEU 7 H LEU 7 -23.605 -12.602 17.315 56 HA LEU 7 HA LEU 7 -23.251 -13.033 14.446 57 HB2 LEU 7 HB2 LEU 7 -22.220 -10.809 16.204 58 HB3 LEU 7 HB3 LEU 7 -21.848 -10.991 14.504 59 HG LEU 7 HG LEU 7 -24.593 -10.463 15.654 60 HD11 LEU 7 HD11 LEU 7 -23.127 -8.543 15.869 61 HD12 LEU 7 HD12 LEU 7 -24.351 -8.256 14.632 62 HD13 LEU 7 HD13 LEU 7 -22.700 -8.655 14.162 63 HD21 LEU 7 HD21 LEU 7 -25.255 -10.095 13.311 64 HD22 LEU 7 HD22 LEU 7 -24.737 -11.752 13.592 65 HD23 LEU 7 HD23 LEU 7 -23.654 -10.614 12.785 66 HA PRO 8 HA PRO 8 -19.337 -14.878 15.594 67 HB2 PRO 8 HB2 PRO 8 -18.206 -15.013 13.129 68 HB3 PRO 8 HB3 PRO 8 -19.549 -16.067 13.606 69 HG2 PRO 8 HG2 PRO 8 -19.552 -13.846 11.722 70 HG3 PRO 8 HG3 PRO 8 -20.713 -15.168 11.914 71 HD2 PRO 8 HD2 PRO 8 -20.943 -12.465 12.864 72 HD3 PRO 8 HD3 PRO 8 -22.112 -13.793 12.989 73 H ASP 9 H ASP 9 -17.633 -13.862 16.568 74 HA ASP 9 HA ASP 9 -16.845 -11.221 15.713 75 HB2 ASP 9 HB2 ASP 9 -15.407 -11.298 17.720 76 HB3 ASP 9 HB3 ASP 9 -17.042 -11.801 18.132 77 H ILE 10 H ILE 10 -15.655 -14.479 15.802 78 HA ILE 10 HA ILE 10 -13.442 -13.728 14.037 79 HB ILE 10 HB ILE 10 -13.972 -16.405 15.396 80 HG12 ILE 10 HG12 ILE 10 -11.950 -14.263 16.125 81 HG13 ILE 10 HG13 ILE 10 -13.434 -14.587 17.009 82 HG21 ILE 10 HG21 ILE 10 -12.678 -16.578 13.312 83 HG22 ILE 10 HG22 ILE 10 -11.668 -16.960 14.709 84 HG23 ILE 10 HG23 ILE 10 -11.532 -15.388 13.917 85 HD11 ILE 10 HD11 ILE 10 -12.612 -16.818 17.569 86 HD12 ILE 10 HD12 ILE 10 -11.500 -15.563 18.117 87 HD13 ILE 10 HD13 ILE 10 -11.132 -16.497 16.667 88 H ASP 11 H ASP 11 -13.423 -14.483 11.943 89 HA ASP 11 HA ASP 11 -15.928 -15.327 10.840 90 HB2 ASP 11 HB2 ASP 11 -14.238 -13.809 9.687 91 HB3 ASP 11 HB3 ASP 11 -13.251 -15.239 9.434 92 H SER 12 H SER 12 -15.883 -17.233 9.272 93 HA SER 12 HA SER 12 -15.081 -19.522 10.853 94 HB2 SER 12 HB2 SER 12 -17.409 -19.389 10.050 95 HB3 SER 12 HB3 SER 12 -16.831 -19.352 8.386 96 HG SER 12 HG SER 12 -15.696 -21.420 9.340 97 H ASN 13 H ASN 13 -14.109 -17.814 7.972 98 HA ASN 13 HA ASN 13 -12.266 -20.017 7.485 99 HB2 ASN 13 HB2 ASN 13 -12.421 -19.943 5.124 100 HB3 ASN 13 HB3 ASN 13 -14.065 -19.995 5.714 101 HD21 ASN 13 HD21 ASN 13 -14.202 -16.983 6.257 102 HD22 ASN 13 HD22 ASN 13 -14.208 -16.320 4.694 103 H GLU 14 H GLU 14 -10.210 -19.567 6.880 104 HA GLU 14 HA GLU 14 -9.430 -16.856 6.347 105 HB2 GLU 14 HB2 GLU 14 -9.219 -17.722 8.947 106 HB3 GLU 14 HB3 GLU 14 -7.724 -18.365 8.291 107 HG2 GLU 14 HG2 GLU 14 -8.554 -15.458 8.264 108 HG3 GLU 14 HG3 GLU 14 -7.394 -16.189 9.362 109 H GLY 15 H GLY 15 -7.124 -17.050 5.450 110 HA2 GLY 15 HA2 GLY 15 -6.118 -19.567 4.719 111 HA3 GLY 15 HA3 GLY 15 -7.168 -18.989 3.434 112 H GLU 16 H GLU 16 -6.441 -17.562 2.058 113 HA GLU 16 HA GLU 16 -3.679 -16.641 2.382 114 HB2 GLU 16 HB2 GLU 16 -5.374 -16.904 -0.111 115 HB3 GLU 16 HB3 GLU 16 -3.662 -16.520 -0.047 116 HG2 GLU 16 HG2 GLU 16 -3.123 -18.723 0.706 117 HG3 GLU 16 HG3 GLU 16 -4.827 -19.116 0.927 118 H THR 17 H THR 17 -3.742 -14.570 3.145 119 HA THR 17 HA THR 17 -5.981 -12.830 2.611 120 HB THR 17 HB THR 17 -3.292 -12.033 3.768 121 HG1 THR 17 HG1 THR 17 -5.283 -13.697 4.928 122 HG21 THR 17 HG21 THR 17 -4.885 -10.211 3.299 123 HG22 THR 17 HG22 THR 17 -4.633 -10.408 5.034 124 HG23 THR 17 HG23 THR 17 -6.102 -11.027 4.282 125 H ASP 18 H ASP 18 -3.196 -13.782 1.070 126 HA ASP 18 HA ASP 18 -2.110 -11.654 -0.271 127 HB2 ASP 18 HB2 ASP 18 -2.391 -14.508 -1.214 128 HB3 ASP 18 HB3 ASP 18 -1.193 -13.338 -1.768 129 H ALA 19 H ALA 19 -5.072 -13.254 -0.834 130 HA ALA 19 HA ALA 19 -5.603 -12.702 -3.509 131 HB1 ALA 19 HB1 ALA 19 -7.066 -14.070 -2.089 132 HB2 ALA 19 HB2 ALA 19 -7.972 -12.812 -2.932 133 HB3 ALA 19 HB3 ALA 19 -7.576 -12.619 -1.226 134 H ASP 20 H ASP 20 -5.515 -10.500 -0.799 135 HA ASP 20 HA ASP 20 -6.219 -8.245 -2.580 136 HB2 ASP 20 HB2 ASP 20 -8.076 -8.723 -0.996 137 HB3 ASP 20 HB3 ASP 20 -6.961 -8.641 0.353 138 H VAL 21 H VAL 21 -3.695 -9.675 -1.498 139 HA VAL 21 HA VAL 21 -2.261 -7.309 -0.582 140 HB VAL 21 HB VAL 21 -2.298 -9.923 0.977 141 HG11 VAL 21 HG11 VAL 21 -0.056 -9.022 0.911 142 HG12 VAL 21 HG12 VAL 21 -0.746 -8.850 2.527 143 HG13 VAL 21 HG13 VAL 21 -0.651 -7.454 1.453 144 HG21 VAL 21 HG21 VAL 21 -3.124 -8.594 2.852 145 HG22 VAL 21 HG22 VAL 21 -4.208 -8.508 1.453 146 HG23 VAL 21 HG23 VAL 21 -3.138 -7.156 1.822 147 H TYR 22 H TYR 22 -0.487 -7.164 -1.756 148 HA TYR 22 HA TYR 22 0.600 -9.629 -2.919 149 HB2 TYR 22 HB2 TYR 22 0.720 -6.806 -3.982 150 HB3 TYR 22 HB3 TYR 22 1.603 -8.162 -4.674 151 HD1 TYR 22 HD2 TYR 22 -1.701 -6.658 -4.202 152 HD2 TYR 22 HD1 TYR 22 0.461 -9.882 -5.927 153 HE1 TYR 22 HE2 TYR 22 -3.655 -7.219 -5.580 154 HE2 TYR 22 HE1 TYR 22 -1.484 -10.456 -7.308 155 HH TYR 22 HH TYR 22 -4.025 -10.083 -7.163 156 H GLU 23 H GLU 23 2.962 -9.544 -3.356 157 HA GLU 23 HA GLU 23 4.240 -9.220 -0.863 158 HB2 GLU 23 HB2 GLU 23 4.570 -11.041 -2.627 159 HB3 GLU 23 HB3 GLU 23 5.410 -9.744 -3.487 160 HG2 GLU 23 HG2 GLU 23 7.160 -9.666 -1.920 161 HG3 GLU 23 HG3 GLU 23 6.280 -10.685 -0.780 162 H VAL 24 H VAL 24 5.736 -7.710 -0.237 163 HA VAL 24 HA VAL 24 6.108 -5.453 -2.030 164 HB VAL 24 HB VAL 24 6.405 -5.706 0.989 165 HG11 VAL 24 HG11 VAL 24 8.153 -4.196 0.137 166 HG12 VAL 24 HG12 VAL 24 6.900 -3.342 1.044 167 HG13 VAL 24 HG13 VAL 24 6.911 -3.264 -0.721 168 HG21 VAL 24 HG21 VAL 24 4.567 -4.078 -0.727 169 HG22 VAL 24 HG22 VAL 24 4.624 -4.053 1.035 170 HG23 VAL 24 HG23 VAL 24 4.129 -5.518 0.186 171 H GLU 25 H GLU 25 7.793 -5.743 -3.225 172 HA GLU 25 HA GLU 25 10.154 -7.148 -2.479 173 HB2 GLU 25 HB2 GLU 25 9.267 -6.627 -4.850 174 HB3 GLU 25 HB3 GLU 25 9.920 -5.018 -4.616 175 HG2 GLU 25 HG2 GLU 25 11.459 -6.347 -5.899 176 HG3 GLU 25 HG3 GLU 25 12.158 -5.998 -4.314 177 H ASP 26 H ASP 26 9.412 -3.681 -2.949 178 HA ASP 26 HA ASP 26 10.700 -2.723 -0.662 179 HB2 ASP 26 HB2 ASP 26 12.672 -1.588 -1.652 180 HB3 ASP 26 HB3 ASP 26 12.825 -3.333 -1.757 181 H ILE 27 H ILE 27 11.200 -0.276 -1.012 182 HA ILE 27 HA ILE 27 8.925 0.894 -2.470 183 HB ILE 27 HB ILE 27 10.681 2.388 -0.484 184 HG12 ILE 27 HG12 ILE 27 9.939 0.385 0.758 185 HG13 ILE 27 HG13 ILE 27 9.162 1.832 1.371 186 HG21 ILE 27 HG21 ILE 27 9.144 3.712 -1.826 187 HG22 ILE 27 HG22 ILE 27 8.663 3.745 -0.133 188 HG23 ILE 27 HG23 ILE 27 7.784 2.741 -1.274 189 HD11 ILE 27 HD11 ILE 27 7.637 -0.049 1.292 190 HD12 ILE 27 HD12 ILE 27 7.917 -0.219 -0.441 191 HD13 ILE 27 HD13 ILE 27 7.118 1.223 0.187 192 H LEU 28 H LEU 28 9.449 2.441 -4.067 193 HA LEU 28 HA LEU 28 12.331 2.763 -4.581 194 HB2 LEU 28 HB2 LEU 28 10.010 3.006 -6.457 195 HB3 LEU 28 HB3 LEU 28 11.627 3.533 -6.881 196 HG LEU 28 HG LEU 28 10.754 0.716 -6.256 197 HD11 LEU 28 HD11 LEU 28 10.018 1.519 -8.427 198 HD12 LEU 28 HD12 LEU 28 11.309 0.331 -8.615 199 HD13 LEU 28 HD13 LEU 28 11.658 2.048 -8.804 200 HD21 LEU 28 HD21 LEU 28 13.042 0.089 -6.933 201 HD22 LEU 28 HD22 LEU 28 13.028 1.054 -5.465 202 HD23 LEU 28 HD23 LEU 28 13.478 1.796 -7.003 203 H ALA 29 H ALA 29 9.476 4.558 -3.878 204 HA ALA 29 HA ALA 29 10.912 6.894 -3.272 205 HB1 ALA 29 HB1 ALA 29 9.973 8.390 -4.996 206 HB2 ALA 29 HB2 ALA 29 9.264 6.998 -5.814 207 HB3 ALA 29 HB3 ALA 29 11.016 7.162 -5.715 208 H ASP 30 H ASP 30 9.120 8.760 -3.109 209 HA ASP 30 HA ASP 30 6.608 7.618 -2.316 210 HB2 ASP 30 HB2 ASP 30 6.616 8.718 -0.120 211 HB3 ASP 30 HB3 ASP 30 7.928 7.556 -0.271 212 H ARG 31 H ARG 31 5.147 9.511 -1.510 213 HA ARG 31 HA ARG 31 5.518 12.016 -2.858 214 HB2 ARG 31 HB2 ARG 31 4.863 10.529 -4.735 215 HB3 ARG 31 HB3 ARG 31 3.484 9.964 -3.812 216 HG2 ARG 31 HG2 ARG 31 2.647 12.352 -3.846 217 HG3 ARG 31 HG3 ARG 31 3.923 12.686 -5.014 218 HD2 ARG 31 HD2 ARG 31 2.989 11.026 -6.537 219 HD3 ARG 31 HD3 ARG 31 1.749 10.615 -5.351 220 HE ARG 31 HE ARG 31 1.993 13.294 -6.520 221 HH11 ARG 31 HH11 ARG 31 -0.049 10.447 -5.753 222 HH12 ARG 31 HH12 ARG 31 -1.492 11.193 -6.051 223 HH21 ARG 31 HH21 ARG 31 -0.110 14.340 -7.049 224 HH22 ARG 31 HH22 ARG 31 -1.542 13.421 -6.848 225 H VAL 32 H VAL 32 3.641 13.374 -2.339 226 HA VAL 32 HA VAL 32 1.876 12.401 -0.231 227 HB VAL 32 HB VAL 32 3.225 15.125 -0.218 228 HG11 VAL 32 HG11 VAL 32 2.390 15.297 2.080 229 HG12 VAL 32 HG12 VAL 32 1.601 13.732 1.899 230 HG13 VAL 32 HG13 VAL 32 1.090 15.095 0.905 231 HG21 VAL 32 HG21 VAL 32 4.955 13.460 0.202 232 HG22 VAL 32 HG22 VAL 32 3.968 12.732 1.471 233 HG23 VAL 32 HG23 VAL 32 4.607 14.364 1.678 234 H ASN 33 H ASN 33 -0.157 13.212 -0.520 235 HA ASN 33 HA ASN 33 -0.699 14.728 -2.972 236 HB2 ASN 33 HB2 ASN 33 -2.538 13.552 -0.874 237 HB3 ASN 33 HB3 ASN 33 -3.100 14.466 -2.260 238 HD21 ASN 33 HD21 ASN 33 -1.717 11.470 -1.138 239 HD22 ASN 33 HD22 ASN 33 -2.002 10.590 -2.574 240 H LYS 34 H LYS 34 -2.471 16.479 -2.670 241 HA LYS 34 HA LYS 34 -1.600 18.323 -0.594 242 HB2 LYS 34 HB2 LYS 34 -3.054 19.964 -1.653 243 HB3 LYS 34 HB3 LYS 34 -2.158 19.139 -2.918 244 HG2 LYS 34 HG2 LYS 34 -4.075 17.841 -3.532 245 HG3 LYS 34 HG3 LYS 34 -4.972 18.401 -2.124 246 HD2 LYS 34 HD2 LYS 34 -4.846 20.714 -3.051 247 HD3 LYS 34 HD3 LYS 34 -4.098 20.042 -4.501 248 HE2 LYS 34 HE2 LYS 34 -6.503 20.390 -4.826 249 HE3 LYS 34 HE3 LYS 34 -6.088 18.680 -4.909 250 HZ1 LYS 34 HZ1 LYS 34 -6.933 18.364 -2.675 251 HZ2 LYS 34 HZ2 LYS 34 -8.118 19.121 -3.592 252 HZ3 LYS 34 HZ3 LYS 34 -7.204 20.019 -2.493 253 H ASN 35 H ASN 35 -3.975 16.030 -1.222 254 HA ASN 35 HA ASN 35 -6.051 17.004 0.459 255 HB2 ASN 35 HB2 ASN 35 -5.666 14.196 -0.589 256 HB3 ASN 35 HB3 ASN 35 -7.132 14.823 0.147 257 HD21 ASN 35 HD21 ASN 35 -6.809 13.653 -2.440 258 HD22 ASN 35 HD22 ASN 35 -7.295 14.818 -3.603 259 H GLY 36 H GLY 36 -3.128 15.320 1.086 260 HA2 GLY 36 HA2 GLY 36 -2.389 15.255 3.367 261 HA3 GLY 36 HA3 GLY 36 -4.053 14.962 3.846 262 H ILE 37 H ILE 37 -2.787 13.189 1.114 263 HA ILE 37 HA ILE 37 -2.651 10.795 2.820 264 HB ILE 37 HB ILE 37 -3.290 11.010 -0.154 265 HG12 ILE 37 HG12 ILE 37 -5.461 9.788 0.659 266 HG13 ILE 37 HG13 ILE 37 -4.957 10.467 2.206 267 HG21 ILE 37 HG21 ILE 37 -2.035 9.026 0.263 268 HG22 ILE 37 HG22 ILE 37 -3.720 8.635 -0.120 269 HG23 ILE 37 HG23 ILE 37 -3.153 8.559 1.555 270 HD11 ILE 37 HD11 ILE 37 -5.115 12.694 1.332 271 HD12 ILE 37 HD12 ILE 37 -6.642 11.836 1.072 272 HD13 ILE 37 HD13 ILE 37 -5.501 12.049 -0.263 273 H ASN 38 H ASN 38 -0.709 9.765 2.826 274 HA ASN 38 HA ASN 38 1.291 10.688 0.904 275 HB2 ASN 38 HB2 ASN 38 1.666 8.901 3.342 276 HB3 ASN 38 HB3 ASN 38 2.948 9.483 2.294 277 HD21 ASN 38 HD21 ASN 38 0.895 10.170 4.966 278 HD22 ASN 38 HD22 ASN 38 1.531 11.725 5.329 279 H GLU 39 H GLU 39 2.286 9.198 -0.446 280 HA GLU 39 HA GLU 39 1.252 6.503 -0.452 281 HB2 GLU 39 HB2 GLU 39 0.824 6.729 -2.949 282 HB3 GLU 39 HB3 GLU 39 -0.345 7.493 -1.881 283 HG2 GLU 39 HG2 GLU 39 0.781 9.624 -2.208 284 HG3 GLU 39 HG3 GLU 39 1.884 8.840 -3.347 285 H TYR 40 H TYR 40 2.572 5.061 -1.681 286 HA TYR 40 HA TYR 40 5.234 6.238 -2.159 287 HB2 TYR 40 HB2 TYR 40 4.828 3.606 -0.756 288 HB3 TYR 40 HB3 TYR 40 6.282 4.599 -0.819 289 HD1 TYR 40 HD1 TYR 40 6.349 6.722 0.505 290 HD2 TYR 40 HD2 TYR 40 3.168 3.958 0.889 291 HE1 TYR 40 HE1 TYR 40 5.678 7.796 2.621 292 HE2 TYR 40 HE2 TYR 40 2.487 5.021 3.002 293 HH TYR 40 HH TYR 40 3.439 7.981 4.009 294 H TYR 41 H TYR 41 6.522 5.104 -3.604 295 HA TYR 41 HA TYR 41 5.102 3.639 -5.645 296 HB2 TYR 41 HB2 TYR 41 6.914 5.481 -5.950 297 HB3 TYR 41 HB3 TYR 41 8.066 4.221 -5.562 298 HD1 TYR 41 HD2 TYR 41 5.064 3.496 -7.607 299 HD2 TYR 41 HD1 TYR 41 9.209 4.476 -7.681 300 HE1 TYR 41 HE2 TYR 41 5.153 2.938 -9.985 301 HE2 TYR 41 HE1 TYR 41 9.294 3.919 -10.072 302 HH TYR 41 HH TYR 41 6.438 3.353 -11.918 303 H ILE 42 H ILE 42 4.671 1.591 -5.011 304 HA ILE 42 HA ILE 42 6.676 0.082 -3.484 305 HB ILE 42 HB ILE 42 3.870 -0.821 -4.123 306 HG12 ILE 42 HG12 ILE 42 3.680 1.354 -2.964 307 HG13 ILE 42 HG13 ILE 42 3.131 0.035 -1.944 308 HG21 ILE 42 HG21 ILE 42 5.400 -2.535 -3.336 309 HG22 ILE 42 HG22 ILE 42 4.166 -2.212 -2.119 310 HG23 ILE 42 HG23 ILE 42 5.794 -1.562 -1.917 311 HD11 ILE 42 HD11 ILE 42 5.770 1.448 -1.771 312 HD12 ILE 42 HD12 ILE 42 5.266 0.093 -0.764 313 HD13 ILE 42 HD13 ILE 42 4.397 1.628 -0.673 314 H LYS 43 H LYS 43 7.769 -1.592 -4.409 315 HA LYS 43 HA LYS 43 6.918 -2.470 -7.056 316 HB2 LYS 43 HB2 LYS 43 9.426 -3.147 -5.517 317 HB3 LYS 43 HB3 LYS 43 8.982 -3.948 -7.012 318 HG2 LYS 43 HG2 LYS 43 8.897 -1.397 -7.833 319 HG3 LYS 43 HG3 LYS 43 10.089 -1.260 -6.536 320 HD2 LYS 43 HD2 LYS 43 10.222 -3.212 -8.847 321 HD3 LYS 43 HD3 LYS 43 11.163 -1.736 -8.708 322 HE2 LYS 43 HE2 LYS 43 11.292 -4.025 -6.742 323 HE3 LYS 43 HE3 LYS 43 12.390 -3.829 -8.103 324 HZ1 LYS 43 HZ1 LYS 43 12.041 -1.836 -5.924 325 HZ2 LYS 43 HZ2 LYS 43 13.274 -1.806 -7.067 326 HZ3 LYS 43 HZ3 LYS 43 13.153 -3.004 -5.887 327 H TRP 44 H TRP 44 5.286 -3.821 -6.984 328 HA TRP 44 HA TRP 44 4.993 -5.639 -4.818 329 HB2 TRP 44 HB2 TRP 44 3.387 -5.438 -7.376 330 HB3 TRP 44 HB3 TRP 44 2.940 -6.282 -5.900 331 HD1 TRP 44 HD1 TRP 44 2.755 -2.915 -7.514 332 HE1 TRP 44 HE1 TRP 44 1.689 -1.241 -5.888 333 HE3 TRP 44 HE3 TRP 44 2.844 -5.750 -3.290 334 HZ2 TRP 44 HZ2 TRP 44 1.008 -1.134 -3.139 335 HZ3 TRP 44 HZ3 TRP 44 1.971 -4.804 -1.223 336 HH2 TRP 44 HH2 TRP 44 1.064 -2.534 -1.147 337 H ALA 45 H ALA 45 5.881 -7.493 -4.739 338 HA ALA 45 HA ALA 45 6.967 -8.681 -7.150 339 HB1 ALA 45 HB1 ALA 45 8.010 -10.317 -5.628 340 HB2 ALA 45 HB2 ALA 45 7.212 -9.540 -4.262 341 HB3 ALA 45 HB3 ALA 45 8.423 -8.661 -5.193 342 H GLY 46 H GLY 46 6.468 -10.948 -7.592 343 HA2 GLY 46 HA2 GLY 46 4.959 -12.775 -7.521 344 HA3 GLY 46 HA3 GLY 46 3.857 -11.786 -6.564 345 H TYR 47 H TYR 47 4.318 -9.489 -8.460 346 HA TYR 47 HA TYR 47 2.555 -10.477 -10.580 347 HB2 TYR 47 HB2 TYR 47 2.085 -8.270 -9.032 348 HB3 TYR 47 HB3 TYR 47 2.997 -7.547 -10.368 349 HD1 TYR 47 HD2 TYR 47 0.668 -10.197 -10.476 350 HD2 TYR 47 HD1 TYR 47 1.495 -6.384 -11.586 351 HE1 TYR 47 HE2 TYR 47 -1.414 -10.224 -11.897 352 HE2 TYR 47 HE1 TYR 47 -0.484 -6.280 -13.030 353 HH TYR 47 HH TYR 47 -1.956 -7.885 -14.252 354 H ASP 48 H ASP 48 2.875 -8.947 -12.442 355 HA ASP 48 HA ASP 48 5.444 -9.486 -13.565 356 HB2 ASP 48 HB2 ASP 48 3.639 -9.084 -15.106 357 HB3 ASP 48 HB3 ASP 48 3.411 -7.436 -14.489 358 H TRP 49 H TRP 49 7.191 -8.229 -13.909 359 HA TRP 49 HA TRP 49 7.932 -6.716 -11.647 360 HB2 TRP 49 HB2 TRP 49 9.410 -7.127 -14.239 361 HB3 TRP 49 HB3 TRP 49 10.107 -6.470 -12.757 362 HD1 TRP 49 HD1 TRP 49 8.825 -9.744 -14.267 363 HE1 TRP 49 HE1 TRP 49 9.637 -11.703 -12.811 364 HE3 TRP 49 HE3 TRP 49 10.815 -7.088 -10.375 365 HZ2 TRP 49 HZ2 TRP 49 10.945 -12.075 -10.326 366 HZ3 TRP 49 HZ3 TRP 49 11.820 -8.320 -8.494 367 HH2 TRP 49 HH2 TRP 49 11.882 -10.758 -8.472 368 H TYR 50 H TYR 50 6.433 -5.688 -14.544 369 HA TYR 50 HA TYR 50 7.387 -2.961 -14.188 370 HB2 TYR 50 HB2 TYR 50 5.767 -4.211 -16.420 371 HB3 TYR 50 HB3 TYR 50 6.317 -2.539 -16.375 372 HD1 TYR 50 HD1 TYR 50 8.802 -2.082 -16.416 373 HD2 TYR 50 HD2 TYR 50 7.189 -5.941 -17.198 374 HE1 TYR 50 HE1 TYR 50 10.919 -2.749 -17.473 375 HE2 TYR 50 HE2 TYR 50 9.305 -6.618 -18.255 376 HH TYR 50 HH TYR 50 12.154 -4.827 -17.948 377 H ASP 51 H ASP 51 5.396 -4.449 -12.408 378 HA ASP 51 HA ASP 51 2.853 -3.188 -13.029 379 HB2 ASP 51 HB2 ASP 51 1.910 -4.581 -11.513 380 HB3 ASP 51 HB3 ASP 51 3.220 -5.628 -12.075 381 H ASN 52 H ASN 52 5.536 -2.625 -11.052 382 HA ASN 52 HA ASN 52 4.515 -1.741 -8.688 383 HB2 ASN 52 HB2 ASN 52 6.565 -0.588 -8.219 384 HB3 ASN 52 HB3 ASN 52 6.929 -2.044 -9.122 385 HD21 ASN 52 HD21 ASN 52 6.158 -0.629 -11.696 386 HD22 ASN 52 HD22 ASN 52 7.504 0.420 -11.994 387 H THR 53 H THR 53 3.781 0.060 -7.754 388 HA THR 53 HA THR 53 3.160 2.365 -9.362 389 HB THR 53 HB THR 53 1.404 0.807 -10.078 390 HG1 THR 53 HG1 THR 53 -0.259 2.218 -8.496 391 HG21 THR 53 HG21 THR 53 -0.248 -0.101 -8.486 392 HG22 THR 53 HG22 THR 53 0.673 0.583 -7.148 393 HG23 THR 53 HG23 THR 53 1.377 -0.694 -8.139 394 H TRP 54 H TRP 54 1.564 3.749 -7.966 395 HA TRP 54 HA TRP 54 2.828 4.017 -5.345 396 HB2 TRP 54 HB2 TRP 54 0.931 5.907 -6.764 397 HB3 TRP 54 HB3 TRP 54 1.900 6.257 -5.343 398 HD1 TRP 54 HD1 TRP 54 2.218 5.767 -9.140 399 HE1 TRP 54 HE1 TRP 54 4.395 6.866 -9.936 400 HE3 TRP 54 HE3 TRP 54 4.230 7.003 -4.589 401 HZ2 TRP 54 HZ2 TRP 54 6.653 8.110 -8.806 402 HZ3 TRP 54 HZ3 TRP 54 6.391 8.153 -4.555 403 HH2 TRP 54 HH2 TRP 54 7.579 8.692 -6.610 404 H GLU 55 H GLU 55 1.710 3.551 -3.538 405 HA GLU 55 HA GLU 55 -1.209 3.400 -3.687 406 HB2 GLU 55 HB2 GLU 55 0.641 1.346 -2.439 407 HB3 GLU 55 HB3 GLU 55 -1.077 1.416 -2.104 408 HG2 GLU 55 HG2 GLU 55 0.195 0.871 -4.789 409 HG3 GLU 55 HG3 GLU 55 -0.572 -0.307 -3.729 410 HA PRO 56 HA PRO 56 -0.936 5.925 -0.082 411 HB2 PRO 56 HB2 PRO 56 -3.263 5.368 1.168 412 HB3 PRO 56 HB3 PRO 56 -3.215 6.254 -0.373 413 HG2 PRO 56 HG2 PRO 56 -3.819 3.383 0.109 414 HG3 PRO 56 HG3 PRO 56 -4.617 4.538 -0.980 415 HD2 PRO 56 HD2 PRO 56 -2.807 2.736 -1.863 416 HD3 PRO 56 HD3 PRO 56 -3.024 4.332 -2.606 417 H GLU 57 H GLU 57 -1.021 5.940 2.266 418 HA GLU 57 HA GLU 57 0.720 4.164 3.470 419 HB2 GLU 57 HB2 GLU 57 -1.386 5.884 4.761 420 HB3 GLU 57 HB3 GLU 57 0.080 5.289 5.530 421 HG2 GLU 57 HG2 GLU 57 1.413 6.753 4.444 422 HG3 GLU 57 HG3 GLU 57 0.357 6.848 3.041 423 H GLN 58 H GLN 58 -2.721 4.191 3.313 424 HA GLN 58 HA GLN 58 -3.452 2.431 5.355 425 HB2 GLN 58 HB2 GLN 58 -4.805 2.908 2.707 426 HB3 GLN 58 HB3 GLN 58 -5.537 2.078 4.071 427 HG2 GLN 58 HG2 GLN 58 -4.596 4.933 4.048 428 HG3 GLN 58 HG3 GLN 58 -6.269 4.411 3.883 429 HE21 GLN 58 HE21 GLN 58 -5.945 2.250 5.913 430 HE22 GLN 58 HE22 GLN 58 -5.884 3.096 7.416 431 H ASN 59 H ASN 59 -2.029 1.760 2.259 432 HA ASN 59 HA ASN 59 -2.895 -1.017 2.322 433 HB2 ASN 59 HB2 ASN 59 -1.261 0.560 0.358 434 HB3 ASN 59 HB3 ASN 59 -1.455 -1.179 0.236 435 HD21 ASN 59 HD21 ASN 59 -4.032 0.915 1.344 436 HD22 ASN 59 HD22 ASN 59 -5.002 0.713 -0.091 437 H LEU 60 H LEU 60 -0.369 0.813 3.575 438 HA LEU 60 HA LEU 60 1.564 -1.326 3.348 439 HB2 LEU 60 HB2 LEU 60 1.855 1.571 4.029 440 HB3 LEU 60 HB3 LEU 60 3.107 0.431 4.472 441 HG LEU 60 HG LEU 60 3.228 -0.223 2.053 442 HD11 LEU 60 HD11 LEU 60 1.111 0.618 1.259 443 HD12 LEU 60 HD12 LEU 60 2.437 1.370 0.374 444 HD13 LEU 60 HD13 LEU 60 1.596 2.269 1.638 445 HD21 LEU 60 HD21 LEU 60 4.891 1.169 3.092 446 HD22 LEU 60 HD22 LEU 60 3.925 2.608 2.739 447 HD23 LEU 60 HD23 LEU 60 4.614 1.662 1.424 448 H PHE 61 H PHE 61 -0.745 -1.356 5.148 449 HA PHE 61 HA PHE 61 -0.158 -0.992 7.821 450 HB2 PHE 61 HB2 PHE 61 -1.956 -2.555 8.324 451 HB3 PHE 61 HB3 PHE 61 -2.397 -1.589 6.923 452 HD1 PHE 61 HD1 PHE 61 -2.168 -2.653 4.610 453 HD2 PHE 61 HD2 PHE 61 -1.959 -4.898 8.223 454 HE1 PHE 61 HE1 PHE 61 -2.632 -4.721 3.358 455 HE2 PHE 61 HE2 PHE 61 -2.424 -6.962 6.970 456 HZ PHE 61 HZ PHE 61 -2.763 -6.870 4.534 457 H GLY 62 H GLY 62 0.879 -3.681 5.784 458 HA2 GLY 62 HA2 GLY 62 2.006 -5.072 8.094 459 HA3 GLY 62 HA3 GLY 62 1.989 -5.663 6.433 460 H ALA 63 H ALA 63 2.972 -3.154 5.377 461 HA ALA 63 HA ALA 63 5.795 -3.712 5.745 462 HB1 ALA 63 HB1 ALA 63 6.082 -2.395 3.724 463 HB2 ALA 63 HB2 ALA 63 4.373 -1.954 3.743 464 HB3 ALA 63 HB3 ALA 63 4.851 -3.634 3.481 465 H GLU 64 H GLU 64 4.224 -2.306 7.729 466 HA GLU 64 HA GLU 64 4.738 0.424 7.917 467 HB2 GLU 64 HB2 GLU 64 3.133 -0.695 9.336 468 HB3 GLU 64 HB3 GLU 64 4.354 -1.767 9.969 469 HG2 GLU 64 HG2 GLU 64 4.734 1.116 10.514 470 HG3 GLU 64 HG3 GLU 64 3.360 0.349 11.296 471 H LYS 65 H LYS 65 6.617 -2.353 8.695 472 HA LYS 65 HA LYS 65 8.694 -1.068 10.155 473 HB2 LYS 65 HB2 LYS 65 9.363 -3.557 8.661 474 HB3 LYS 65 HB3 LYS 65 9.723 -3.127 10.317 475 HG2 LYS 65 HG2 LYS 65 7.155 -4.272 9.207 476 HG3 LYS 65 HG3 LYS 65 8.272 -5.027 10.330 477 HD2 LYS 65 HD2 LYS 65 6.481 -2.654 10.891 478 HD3 LYS 65 HD3 LYS 65 6.220 -4.300 11.445 479 HE2 LYS 65 HE2 LYS 65 8.271 -4.146 12.792 480 HE3 LYS 65 HE3 LYS 65 8.504 -2.488 12.228 481 HZ1 LYS 65 HZ1 LYS 65 7.391 -2.410 14.366 482 HZ2 LYS 65 HZ2 LYS 65 6.198 -3.487 13.804 483 HZ3 LYS 65 HZ3 LYS 65 6.282 -1.976 13.156 484 H VAL 66 H VAL 66 8.541 -2.294 6.823 485 HA VAL 66 HA VAL 66 11.079 -1.257 6.139 486 HB VAL 66 HB VAL 66 10.511 -1.827 3.756 487 HG11 VAL 66 HG11 VAL 66 10.472 -4.253 4.101 488 HG12 VAL 66 HG12 VAL 66 10.011 -4.003 5.783 489 HG13 VAL 66 HG13 VAL 66 11.590 -3.460 5.211 490 HG21 VAL 66 HG21 VAL 66 7.942 -2.849 4.950 491 HG22 VAL 66 HG22 VAL 66 8.488 -3.094 3.291 492 HG23 VAL 66 HG23 VAL 66 8.101 -1.469 3.864 493 H LEU 67 H LEU 67 7.858 0.030 5.913 494 HA LEU 67 HA LEU 67 8.406 2.187 4.223 495 HB2 LEU 67 HB2 LEU 67 6.143 1.528 4.789 496 HB3 LEU 67 HB3 LEU 67 6.422 1.914 6.473 497 HG LEU 67 HG LEU 67 6.601 4.281 5.938 498 HD11 LEU 67 HD11 LEU 67 7.566 4.093 3.703 499 HD12 LEU 67 HD12 LEU 67 6.133 5.107 3.688 500 HD13 LEU 67 HD13 LEU 67 6.042 3.445 3.094 501 HD21 LEU 67 HD21 LEU 67 4.155 2.951 4.778 502 HD22 LEU 67 HD22 LEU 67 4.264 4.648 5.248 503 HD23 LEU 67 HD23 LEU 67 4.408 3.382 6.470 504 H LYS 68 H LYS 68 8.545 1.859 7.737 505 HA LYS 68 HA LYS 68 9.434 4.479 8.184 506 HB2 LYS 68 HB2 LYS 68 9.643 2.009 9.875 507 HB3 LYS 68 HB3 LYS 68 10.222 3.583 10.413 508 HG2 LYS 68 HG2 LYS 68 8.022 4.518 10.219 509 HG3 LYS 68 HG3 LYS 68 7.413 3.015 9.525 510 HD2 LYS 68 HD2 LYS 68 7.944 1.852 11.596 511 HD3 LYS 68 HD3 LYS 68 8.534 3.365 12.291 512 HE2 LYS 68 HE2 LYS 68 6.370 4.339 12.208 513 HE3 LYS 68 HE3 LYS 68 5.745 3.013 11.224 514 HZ1 LYS 68 HZ1 LYS 68 5.072 2.739 13.518 515 HZ2 LYS 68 HZ2 LYS 68 6.710 2.745 14.018 516 HZ3 LYS 68 HZ3 LYS 68 6.133 1.532 12.984 517 H LYS 69 H LYS 69 11.176 1.515 7.583 518 HA LYS 69 HA LYS 69 13.777 2.492 7.958 519 HB2 LYS 69 HB2 LYS 69 13.217 0.100 7.557 520 HB3 LYS 69 HB3 LYS 69 12.828 0.486 5.890 521 HG2 LYS 69 HG2 LYS 69 15.011 -0.543 6.027 522 HG3 LYS 69 HG3 LYS 69 15.171 1.135 5.509 523 HD2 LYS 69 HD2 LYS 69 15.803 1.792 7.777 524 HD3 LYS 69 HD3 LYS 69 15.578 0.132 8.332 525 HE2 LYS 69 HE2 LYS 69 17.589 1.047 6.272 526 HE3 LYS 69 HE3 LYS 69 17.948 0.667 7.955 527 HZ1 LYS 69 HZ1 LYS 69 17.219 -1.606 7.554 528 HZ2 LYS 69 HZ2 LYS 69 18.483 -1.190 6.510 529 HZ3 LYS 69 HZ3 LYS 69 16.895 -1.241 5.933 530 H TRP 70 H TRP 70 11.765 2.437 4.968 531 HA TRP 70 HA TRP 70 13.482 3.849 3.329 532 HB2 TRP 70 HB2 TRP 70 11.612 2.783 2.279 533 HB3 TRP 70 HB3 TRP 70 10.459 3.613 3.325 534 HD1 TRP 70 HD1 TRP 70 9.559 5.888 2.541 535 HE1 TRP 70 HE1 TRP 70 10.022 7.486 0.571 536 HE3 TRP 70 HE3 TRP 70 13.551 3.459 0.498 537 HZ2 TRP 70 HZ2 TRP 70 11.807 7.627 -1.608 538 HZ3 TRP 70 HZ3 TRP 70 14.571 4.379 -1.543 539 HH2 TRP 70 HH2 TRP 70 13.715 6.417 -2.574 540 H LYS 71 H LYS 71 10.793 5.098 5.303 541 HA LYS 71 HA LYS 71 11.320 7.780 4.634 542 HB2 LYS 71 HB2 LYS 71 9.365 6.445 6.189 543 HB3 LYS 71 HB3 LYS 71 10.001 7.787 7.143 544 HG2 LYS 71 HG2 LYS 71 8.110 8.607 5.875 545 HG3 LYS 71 HG3 LYS 71 9.591 9.251 5.148 546 HD2 LYS 71 HD2 LYS 71 9.558 7.520 3.509 547 HD3 LYS 71 HD3 LYS 71 8.018 6.916 4.151 548 HE2 LYS 71 HE2 LYS 71 7.627 8.305 2.243 549 HE3 LYS 71 HE3 LYS 71 7.039 9.131 3.688 550 HZ1 LYS 71 HZ1 LYS 71 8.895 10.649 3.608 551 HZ2 LYS 71 HZ2 LYS 71 8.420 10.481 1.989 552 HZ3 LYS 71 HZ3 LYS 71 9.730 9.638 2.577 553 H LYS 72 H LYS 72 12.756 5.778 6.973 554 HA LYS 72 HA LYS 72 13.843 7.821 8.571 555 HB2 LYS 72 HB2 LYS 72 13.781 5.290 9.047 556 HB3 LYS 72 HB3 LYS 72 15.179 5.174 7.998 557 HG2 LYS 72 HG2 LYS 72 15.922 5.222 10.277 558 HG3 LYS 72 HG3 LYS 72 16.377 6.746 9.507 559 HD2 LYS 72 HD2 LYS 72 14.461 7.863 10.525 560 HD3 LYS 72 HD3 LYS 72 13.927 6.340 11.233 561 HE2 LYS 72 HE2 LYS 72 16.002 6.259 12.550 562 HE3 LYS 72 HE3 LYS 72 16.491 7.804 11.851 563 HZ1 LYS 72 HZ1 LYS 72 14.070 7.341 13.503 564 HZ2 LYS 72 HZ2 LYS 72 14.529 8.824 12.840 565 HZ3 LYS 72 HZ3 LYS 72 15.487 8.097 14.033 566 H ARG 73 H ARG 73 14.998 6.100 5.656 567 HA ARG 73 HA ARG 73 17.202 7.975 5.513 568 HB2 ARG 73 HB2 ARG 73 16.502 5.701 3.676 569 HB3 ARG 73 HB3 ARG 73 17.836 6.805 3.379 570 HG2 ARG 73 HG2 ARG 73 17.542 5.043 5.822 571 HG3 ARG 73 HG3 ARG 73 18.572 4.697 4.435 572 HD2 ARG 73 HD2 ARG 73 19.912 5.621 6.266 573 HD3 ARG 73 HD3 ARG 73 19.878 6.755 4.919 574 HE ARG 73 HE ARG 73 17.851 7.222 6.886 575 HH11 ARG 73 HH11 ARG 73 21.254 7.888 6.227 576 HH12 ARG 73 HH12 ARG 73 21.255 9.436 6.936 577 HH21 ARG 73 HH21 ARG 73 17.780 9.319 7.782 578 HH22 ARG 73 HH22 ARG 73 19.177 10.300 7.879 579 H LYS 74 H LYS 74 14.101 7.769 4.092 580 HA LYS 74 HA LYS 74 14.638 10.332 2.874 581 HB2 LYS 74 HB2 LYS 74 14.772 8.986 0.952 582 HB3 LYS 74 HB3 LYS 74 13.459 7.948 1.472 583 HG2 LYS 74 HG2 LYS 74 12.862 9.379 -0.454 584 HG3 LYS 74 HG3 LYS 74 11.830 9.645 0.942 585 HD2 LYS 74 HD2 LYS 74 13.194 11.662 1.480 586 HD3 LYS 74 HD3 LYS 74 14.087 11.408 -0.025 587 HE2 LYS 74 HE2 LYS 74 12.274 13.070 -0.284 588 HE3 LYS 74 HE3 LYS 74 12.039 11.663 -1.319 589 HZ1 LYS 74 HZ1 LYS 74 9.958 12.367 -0.179 590 HZ2 LYS 74 HZ2 LYS 74 10.644 12.046 1.317 591 HZ3 LYS 74 HZ3 LYS 74 10.401 10.811 0.199 592 H LYS 75 H LYS 75 13.659 11.361 4.450 593 HA LYS 75 HA LYS 75 10.857 10.866 4.906 594 HB2 LYS 75 HB2 LYS 75 11.520 13.314 6.168 595 HB3 LYS 75 HB3 LYS 75 11.259 11.763 6.929 596 HG2 LYS 75 HG2 LYS 75 13.315 12.547 7.757 597 HG3 LYS 75 HG3 LYS 75 13.714 11.303 6.590 598 HD2 LYS 75 HD2 LYS 75 15.276 13.128 6.334 599 HD3 LYS 75 HD3 LYS 75 14.219 13.116 4.927 600 HE2 LYS 75 HE2 LYS 75 13.502 14.853 7.256 601 HE3 LYS 75 HE3 LYS 75 14.813 15.360 6.201 602 HZ1 LYS 75 HZ1 LYS 75 12.122 14.664 5.112 603 HZ2 LYS 75 HZ2 LYS 75 13.337 15.474 4.365 604 HZ3 LYS 75 HZ3 LYS 75 12.502 16.218 5.635 605 H1 ALA 1 H1 ALA 1 13.785 -19.892 5.283 606 H2 ALA 1 H2 ALA 1 12.781 -20.672 6.430 607 H3 ALA 1 H3 ALA 1 12.731 -18.980 6.206 608 HA ALA 1 HA ALA 1 11.995 -20.857 4.093 609 HB1 ALA 1 HB1 ALA 1 9.687 -20.108 4.546 610 HB2 ALA 1 HB2 ALA 1 10.265 -19.197 5.941 611 HB3 ALA 1 HB3 ALA 1 10.370 -20.957 5.934 612 H ARG 2 H ARG 2 10.836 -19.550 2.376 613 HA ARG 2 HA ARG 2 12.327 -17.092 1.904 614 HB2 ARG 2 HB2 ARG 2 11.865 -19.053 0.219 615 HB3 ARG 2 HB3 ARG 2 10.253 -18.388 0.117 616 HG2 ARG 2 HG2 ARG 2 12.826 -17.024 -0.705 617 HG3 ARG 2 HG3 ARG 2 11.604 -17.690 -1.774 618 HD2 ARG 2 HD2 ARG 2 11.357 -15.282 0.030 619 HD3 ARG 2 HD3 ARG 2 11.412 -15.293 -1.728 620 HE ARG 2 HE ARG 2 9.212 -16.683 -0.409 621 HH11 ARG 2 HH11 ARG 2 10.253 -13.963 -2.447 622 HH12 ARG 2 HH12 ARG 2 8.670 -13.317 -2.574 623 HH21 ARG 2 HH21 ARG 2 7.008 -15.732 -0.679 624 HH22 ARG 2 HH22 ARG 2 6.923 -14.294 -1.608 625 H THR 3 H THR 3 11.340 -15.336 2.954 626 HA THR 3 HA THR 3 8.537 -14.957 2.472 627 HB THR 3 HB THR 3 8.607 -16.179 4.624 628 HG1 THR 3 HG1 THR 3 7.968 -13.593 5.464 629 HG21 THR 3 HG21 THR 3 10.278 -13.856 5.615 630 HG22 THR 3 HG22 THR 3 10.832 -15.518 5.413 631 HG23 THR 3 HG23 THR 3 9.610 -15.137 6.628 632 H LYS 4 H LYS 4 7.907 -12.805 2.593 633 HA LYS 4 HA LYS 4 9.889 -10.748 3.137 634 HB2 LYS 4 HB2 LYS 4 8.210 -10.885 0.626 635 HB3 LYS 4 HB3 LYS 4 9.147 -9.500 1.134 636 HG2 LYS 4 HG2 LYS 4 11.202 -10.797 0.800 637 HG3 LYS 4 HG3 LYS 4 10.221 -12.172 0.256 638 HD2 LYS 4 HD2 LYS 4 9.185 -10.657 -1.427 639 HD3 LYS 4 HD3 LYS 4 10.365 -9.433 -0.977 640 HE2 LYS 4 HE2 LYS 4 12.150 -10.752 -1.800 641 HE3 LYS 4 HE3 LYS 4 11.106 -12.171 -1.972 642 HZ1 LYS 4 HZ1 LYS 4 11.341 -11.088 -4.168 643 HZ2 LYS 4 HZ2 LYS 4 11.032 -9.652 -3.481 644 HZ3 LYS 4 HZ3 LYS 4 9.769 -10.787 -3.563 645 H GLN 5 H GLN 5 8.698 -8.630 3.233 646 HA GLN 5 HA GLN 5 6.195 -9.011 4.605 647 HB2 GLN 5 HB2 GLN 5 7.921 -7.303 5.352 648 HB3 GLN 5 HB3 GLN 5 7.577 -6.411 3.873 649 HG2 GLN 5 HG2 GLN 5 6.482 -5.556 5.866 650 HG3 GLN 5 HG3 GLN 5 5.390 -5.955 4.536 651 HE21 GLN 5 HE21 GLN 5 6.446 -6.851 7.734 652 HE22 GLN 5 HE22 GLN 5 5.137 -7.947 8.041 653 H THR 6 H THR 6 4.147 -8.045 3.849 654 HA THR 6 HA THR 6 4.184 -7.464 1.003 655 HB THR 6 HB THR 6 2.347 -8.995 0.569 656 HG1 THR 6 HG1 THR 6 1.645 -10.371 2.401 657 HG21 THR 6 HG21 THR 6 4.234 -10.560 2.333 658 HG22 THR 6 HG22 THR 6 4.692 -10.013 0.752 659 HG23 THR 6 HG23 THR 6 3.352 -11.161 0.929 660 H ALA 7 H ALA 7 1.960 -6.457 0.350 661 HA ALA 7 HA ALA 7 0.560 -5.120 2.509 662 HB1 ALA 7 HB1 ALA 7 0.962 -2.864 1.536 663 HB2 ALA 7 HB2 ALA 7 2.110 -3.578 0.397 664 HB3 ALA 7 HB3 ALA 7 2.448 -3.611 2.115 665 H ARG 8 H ARG 8 -1.225 -3.617 1.322 666 HA ARG 8 HA ARG 8 -2.847 -5.537 0.043 667 HB2 ARG 8 HB2 ARG 8 -3.296 -2.572 0.089 668 HB3 ARG 8 HB3 ARG 8 -4.438 -3.728 -0.544 669 HG2 ARG 8 HG2 ARG 8 -4.373 -4.751 1.836 670 HG3 ARG 8 HG3 ARG 8 -3.607 -3.198 2.247 671 HD2 ARG 8 HD2 ARG 8 -6.044 -3.111 2.570 672 HD3 ARG 8 HD3 ARG 8 -5.465 -1.960 1.365 673 HE ARG 8 HE ARG 8 -6.654 -4.575 0.624 674 HH11 ARG 8 HH11 ARG 8 -6.623 -1.060 0.231 675 HH12 ARG 8 HH12 ARG 8 -7.626 -1.062 -1.160 676 HH21 ARG 8 HH21 ARG 8 -8.010 -4.600 -1.183 677 HH22 ARG 8 HH22 ARG 8 -8.495 -3.182 -1.972 678 H M3L 9 H M3L 9 -1.795 -2.504 -1.504 679 HA M3L 9 HA M3L 9 -1.812 -1.766 -3.619 680 HB2 M3L 9 1HB M3L 9 -0.401 -3.573 -4.401 681 HB3 M3L 9 2HB M3L 9 -1.784 -4.661 -4.462 682 HG2 M3L 9 1HG M3L 9 -1.517 -2.165 -6.127 683 HG3 M3L 9 2HG M3L 9 -2.788 -3.383 -6.237 684 HD2 M3L 9 1HD M3L 9 -0.463 -3.293 -7.682 685 HD3 M3L 9 2HD M3L 9 -0.122 -4.496 -6.458 686 HE2 M3L 9 1HE M3L 9 -2.574 -4.493 -8.252 687 HE3 M3L 9 2HE M3L 9 -2.219 -5.683 -7.047 688 HM11 M3L 9 1HM1 M3L 9 -1.057 -7.434 -10.262 689 HM12 M3L 9 2HM1 M3L 9 -2.066 -7.625 -8.823 690 HM13 M3L 9 3HM1 M3L 9 -2.523 -6.489 -10.039 691 HM21 M3L 9 1HM2 M3L 9 0.588 -7.353 -8.500 692 HM22 M3L 9 2HM2 M3L 9 0.108 -6.573 -6.996 693 HM23 M3L 9 3HM2 M3L 9 1.179 -5.789 -8.115 694 HM31 M3L 9 3HM3 M3L 9 0.762 -4.917 -9.873 695 HM32 M3L 9 1HM3 M3L 9 -0.715 -4.906 -10.806 696 HM33 M3L 9 2HM3 M3L 9 -0.462 -3.758 -9.524 697 H SER 10 H SER 10 -3.678 -0.730 -3.531 698 HA SER 10 HA SER 10 -6.109 -2.180 -3.362 699 HB2 SER 10 HB2 SER 10 -5.549 0.097 -2.270 700 HB3 SER 10 HB3 SER 10 -5.887 0.786 -3.855 701 HG SER 10 HG SER 10 -8.010 -0.129 -3.717 702 H THR 11 H THR 11 -6.234 -3.335 -5.181 703 HA THR 11 HA THR 11 -6.138 -2.065 -7.758 704 HB THR 11 HB THR 11 -6.934 -4.918 -7.063 705 HG1 THR 11 HG1 THR 11 -4.822 -4.345 -6.272 706 HG21 THR 11 HG21 THR 11 -5.805 -3.695 -9.603 707 HG22 THR 11 HG22 THR 11 -7.483 -4.182 -9.366 708 HG23 THR 11 HG23 THR 11 -6.205 -5.397 -9.369 709 H GLY 12 H GLY 12 -7.745 -0.604 -7.354 710 HA2 GLY 12 HA2 GLY 12 -9.974 -0.053 -8.033 711 HA3 GLY 12 HA3 GLY 12 -10.483 -1.657 -7.486 712 H GLY 13 H GLY 13 -11.835 0.526 -6.552 713 HA2 GLY 13 HA2 GLY 13 -12.722 0.957 -4.428 714 HA3 GLY 13 HA3 GLY 13 -11.276 0.259 -3.711 715 H LYS 14 H LYS 14 -10.746 2.537 -6.189 716 HA LYS 14 HA LYS 14 -10.725 4.821 -4.488 717 HB2 LYS 14 HB2 LYS 14 -8.309 5.334 -4.888 718 HB3 LYS 14 HB3 LYS 14 -8.543 3.924 -3.876 719 HG2 LYS 14 HG2 LYS 14 -8.042 2.471 -5.802 720 HG3 LYS 14 HG3 LYS 14 -7.802 3.903 -6.807 721 HD2 LYS 14 HD2 LYS 14 -5.963 4.617 -5.336 722 HD3 LYS 14 HD3 LYS 14 -6.208 3.185 -4.338 723 HE2 LYS 14 HE2 LYS 14 -5.657 1.759 -6.263 724 HE3 LYS 14 HE3 LYS 14 -5.405 3.194 -7.254 725 HZ1 LYS 14 HZ1 LYS 14 -3.282 2.300 -6.392 726 HZ2 LYS 14 HZ2 LYS 14 -3.800 2.335 -4.897 727 HZ3 LYS 14 HZ3 LYS 14 -3.537 3.809 -5.707 728 H ALA 15 H ALA 15 -11.192 6.579 -5.669 729 HA ALA 15 HA ALA 15 -10.581 6.711 -8.468 730 HB1 ALA 15 HB1 ALA 15 -12.942 7.017 -9.128 731 HB2 ALA 15 HB2 ALA 15 -13.450 6.630 -7.486 732 HB3 ALA 15 HB3 ALA 15 -12.667 5.401 -8.479 733 HA PRO 16 HA PRO 16 -10.527 10.969 -7.179 734 HB2 PRO 16 HB2 PRO 16 -10.779 12.209 -9.595 735 HB3 PRO 16 HB3 PRO 16 -9.268 11.432 -9.082 736 HG2 PRO 16 HG2 PRO 16 -11.357 10.415 -10.927 737 HG3 PRO 16 HG3 PRO 16 -9.590 10.270 -11.027 738 HD2 PRO 16 HD2 PRO 16 -11.183 8.249 -10.167 739 HD3 PRO 16 HD3 PRO 16 -9.513 8.479 -9.613 740 H ARG 17 H ARG 17 -12.068 12.320 -6.440 741 HA ARG 17 HA ARG 17 -14.739 11.966 -7.533 742 HB2 ARG 17 HB2 ARG 17 -14.591 11.439 -5.170 743 HB3 ARG 17 HB3 ARG 17 -13.870 13.000 -4.837 744 HG2 ARG 17 HG2 ARG 17 -16.195 12.982 -4.126 745 HG3 ARG 17 HG3 ARG 17 -15.982 14.110 -5.458 746 HD2 ARG 17 HD2 ARG 17 -16.953 11.291 -5.906 747 HD3 ARG 17 HD3 ARG 17 -18.062 12.577 -5.457 748 HE ARG 17 HE ARG 17 -17.142 13.727 -7.560 749 HH11 ARG 17 HH11 ARG 17 -17.484 10.208 -7.300 750 HH12 ARG 17 HH12 ARG 17 -17.795 9.974 -8.964 751 HH21 ARG 17 HH21 ARG 17 -17.551 13.427 -9.805 752 HH22 ARG 17 HH22 ARG 17 -17.842 11.899 -10.461 753 H TYR 18 H TYR 18 -14.840 13.310 -9.135 754 HA TYR 18 HA TYR 18 -14.752 16.136 -8.447 755 HB2 TYR 18 HB2 TYR 18 -13.217 15.476 -10.355 756 HB3 TYR 18 HB3 TYR 18 -14.610 14.811 -11.197 757 HD1 TYR 18 HD2 TYR 18 -13.213 17.978 -9.837 758 HD2 TYR 18 HD1 TYR 18 -15.924 16.196 -12.591 759 HE1 TYR 18 HE2 TYR 18 -13.615 20.179 -10.864 760 HE2 TYR 18 HE1 TYR 18 -16.332 18.388 -13.620 761 HH TYR 18 HH TYR 18 -16.176 20.746 -13.000 Start of MODEL 13 1 H1 MET 1 H1 MET 1 9.007 -32.622 -12.795 2 H2 MET 1 H2 MET 1 8.670 -34.249 -12.333 3 H3 MET 1 H3 MET 1 10.080 -33.899 -13.140 4 HA MET 1 HA MET 1 10.962 -32.747 -11.313 5 HB2 MET 1 HB2 MET 1 9.714 -32.671 -9.159 6 HB3 MET 1 HB3 MET 1 8.880 -31.770 -10.412 7 HG2 MET 1 HG2 MET 1 7.323 -33.647 -10.720 8 HG3 MET 1 HG3 MET 1 8.166 -34.548 -9.466 9 HE1 MET 1 HE1 MET 1 5.801 -30.643 -8.628 10 HE2 MET 1 HE2 MET 1 6.014 -31.317 -10.244 11 HE3 MET 1 HE3 MET 1 7.395 -30.646 -9.377 12 H VAL 2 H VAL 2 12.241 -34.020 -9.901 13 HA VAL 2 HA VAL 2 11.463 -36.818 -9.687 14 HB VAL 2 HB VAL 2 14.310 -35.806 -10.124 15 HG11 VAL 2 HG11 VAL 2 14.902 -38.179 -10.371 16 HG12 VAL 2 HG12 VAL 2 13.235 -38.623 -10.010 17 HG13 VAL 2 HG13 VAL 2 14.219 -37.825 -8.783 18 HG21 VAL 2 HG21 VAL 2 12.533 -37.262 -12.088 19 HG22 VAL 2 HG22 VAL 2 14.237 -36.872 -12.341 20 HG23 VAL 2 HG23 VAL 2 13.047 -35.579 -12.202 21 H SER 3 H SER 3 10.654 -36.274 -7.658 22 HA SER 3 HA SER 3 12.606 -35.974 -5.606 23 HB2 SER 3 HB2 SER 3 11.328 -33.987 -4.674 24 HB3 SER 3 HB3 SER 3 12.284 -33.652 -6.119 25 HG SER 3 HG SER 3 9.657 -33.386 -5.716 26 H VAL 4 H VAL 4 11.197 -35.797 -3.469 27 HA VAL 4 HA VAL 4 9.149 -37.864 -3.640 28 HB VAL 4 HB VAL 4 10.421 -36.558 -1.196 29 HG11 VAL 4 HG11 VAL 4 9.496 -38.442 0.076 30 HG12 VAL 4 HG12 VAL 4 8.747 -39.061 -1.398 31 HG13 VAL 4 HG13 VAL 4 8.230 -37.511 -0.735 32 HG21 VAL 4 HG21 VAL 4 12.109 -37.783 -2.452 33 HG22 VAL 4 HG22 VAL 4 11.081 -39.215 -2.472 34 HG23 VAL 4 HG23 VAL 4 11.736 -38.621 -0.946 35 H LYS 5 H LYS 5 7.040 -37.365 -2.737 36 HA LYS 5 HA LYS 5 6.506 -34.518 -3.001 37 HB2 LYS 5 HB2 LYS 5 4.554 -36.837 -3.043 38 HB3 LYS 5 HB3 LYS 5 4.168 -35.160 -3.397 39 HG2 LYS 5 HG2 LYS 5 5.954 -36.979 -5.022 40 HG3 LYS 5 HG3 LYS 5 4.333 -36.440 -5.454 41 HD2 LYS 5 HD2 LYS 5 6.733 -34.621 -5.098 42 HD3 LYS 5 HD3 LYS 5 6.143 -35.215 -6.644 43 HE2 LYS 5 HE2 LYS 5 4.544 -33.517 -4.720 44 HE3 LYS 5 HE3 LYS 5 5.394 -32.916 -6.143 45 HZ1 LYS 5 HZ1 LYS 5 3.182 -34.894 -6.164 46 HZ2 LYS 5 HZ2 LYS 5 4.021 -34.320 -7.517 47 HZ3 LYS 5 HZ3 LYS 5 3.063 -33.261 -6.613 48 HA PRO 6 HA PRO 6 5.537 -34.372 1.320 49 HB2 PRO 6 HB2 PRO 6 3.663 -32.212 1.045 50 HB3 PRO 6 HB3 PRO 6 5.370 -32.105 1.513 51 HG2 PRO 6 HG2 PRO 6 4.358 -31.093 -0.815 52 HG3 PRO 6 HG3 PRO 6 6.054 -31.547 -0.561 53 HD2 PRO 6 HD2 PRO 6 3.902 -33.060 -1.961 54 HD3 PRO 6 HD3 PRO 6 5.626 -32.897 -2.350 55 H LEU 7 H LEU 7 4.201 -35.443 2.574 56 HA LEU 7 HA LEU 7 1.597 -36.155 1.586 57 HB2 LEU 7 HB2 LEU 7 1.525 -37.647 3.632 58 HB3 LEU 7 HB3 LEU 7 2.785 -38.015 2.483 59 HG LEU 7 HG LEU 7 4.368 -36.750 4.056 60 HD11 LEU 7 HD11 LEU 7 2.732 -35.584 5.406 61 HD12 LEU 7 HD12 LEU 7 3.737 -36.633 6.406 62 HD13 LEU 7 HD13 LEU 7 2.093 -37.118 5.993 63 HD21 LEU 7 HD21 LEU 7 4.654 -38.709 5.500 64 HD22 LEU 7 HD22 LEU 7 4.395 -39.158 3.816 65 HD23 LEU 7 HD23 LEU 7 3.079 -39.310 4.981 66 HA PRO 8 HA PRO 8 -0.461 -33.120 3.969 67 HB2 PRO 8 HB2 PRO 8 -2.760 -34.762 4.601 68 HB3 PRO 8 HB3 PRO 8 -2.625 -33.491 3.370 69 HG2 PRO 8 HG2 PRO 8 -2.911 -36.118 2.759 70 HG3 PRO 8 HG3 PRO 8 -2.106 -34.938 1.706 71 HD2 PRO 8 HD2 PRO 8 -0.886 -36.960 3.532 72 HD3 PRO 8 HD3 PRO 8 -0.385 -36.447 1.907 73 H ASP 9 H ASP 9 1.106 -33.322 5.671 74 HA ASP 9 HA ASP 9 0.154 -34.471 8.197 75 HB2 ASP 9 HB2 ASP 9 2.555 -34.570 7.761 76 HB3 ASP 9 HB3 ASP 9 2.621 -32.845 7.452 77 H ILE 10 H ILE 10 0.621 -31.497 6.539 78 HA ILE 10 HA ILE 10 -0.930 -30.004 8.525 79 HB ILE 10 HB ILE 10 0.609 -28.904 6.105 80 HG12 ILE 10 HG12 ILE 10 2.130 -27.844 7.928 81 HG13 ILE 10 HG13 ILE 10 1.483 -29.080 8.991 82 HG21 ILE 10 HG21 ILE 10 0.328 -26.693 7.131 83 HG22 ILE 10 HG22 ILE 10 -0.632 -27.424 8.415 84 HG23 ILE 10 HG23 ILE 10 -1.217 -27.458 6.752 85 HD11 ILE 10 HD11 ILE 10 3.035 -29.547 6.452 86 HD12 ILE 10 HD12 ILE 10 2.370 -30.803 7.494 87 HD13 ILE 10 HD13 ILE 10 3.639 -29.738 8.100 88 H ASP 11 H ASP 11 -2.813 -28.819 7.631 89 HA ASP 11 HA ASP 11 -4.277 -30.363 5.777 90 HB2 ASP 11 HB2 ASP 11 -5.328 -28.902 7.549 91 HB3 ASP 11 HB3 ASP 11 -4.876 -27.498 6.587 92 H SER 12 H SER 12 -5.101 -29.658 3.745 93 HA SER 12 HA SER 12 -2.974 -28.817 2.048 94 HB2 SER 12 HB2 SER 12 -4.754 -29.287 0.288 95 HB3 SER 12 HB3 SER 12 -4.224 -30.636 1.294 96 HG SER 12 HG SER 12 -6.362 -29.233 2.354 97 H ASN 13 H ASN 13 -5.687 -27.172 3.511 98 HA ASN 13 HA ASN 13 -5.635 -25.194 1.382 99 HB2 ASN 13 HB2 ASN 13 -7.850 -26.002 2.046 100 HB3 ASN 13 HB3 ASN 13 -7.563 -25.464 3.692 101 HD21 ASN 13 HD21 ASN 13 -6.677 -23.555 0.759 102 HD22 ASN 13 HD22 ASN 13 -7.795 -22.317 1.035 103 H GLU 14 H GLU 14 -3.924 -23.971 1.657 104 HA GLU 14 HA GLU 14 -3.675 -22.446 4.127 105 HB2 GLU 14 HB2 GLU 14 -1.581 -23.167 2.873 106 HB3 GLU 14 HB3 GLU 14 -2.141 -22.247 1.485 107 HG2 GLU 14 HG2 GLU 14 -1.912 -20.178 2.699 108 HG3 GLU 14 HG3 GLU 14 -1.524 -21.047 4.180 109 H GLY 15 H GLY 15 -4.409 -20.218 4.080 110 HA2 GLY 15 HA2 GLY 15 -6.589 -20.102 2.155 111 HA3 GLY 15 HA3 GLY 15 -6.407 -19.080 3.570 112 H GLU 16 H GLU 16 -7.207 -18.104 1.170 113 HA GLU 16 HA GLU 16 -4.851 -16.925 -0.049 114 HB2 GLU 16 HB2 GLU 16 -7.703 -16.873 -1.046 115 HB3 GLU 16 HB3 GLU 16 -6.240 -16.583 -1.960 116 HG2 GLU 16 HG2 GLU 16 -7.088 -18.700 -2.658 117 HG3 GLU 16 HG3 GLU 16 -5.682 -19.036 -1.657 118 H THR 17 H THR 17 -4.472 -15.186 1.234 119 HA THR 17 HA THR 17 -6.645 -13.199 1.471 120 HB THR 17 HB THR 17 -3.960 -13.179 2.887 121 HG1 THR 17 HG1 THR 17 -6.077 -14.801 3.183 122 HG21 THR 17 HG21 THR 17 -6.622 -11.879 3.548 123 HG22 THR 17 HG22 THR 17 -5.221 -11.043 2.877 124 HG23 THR 17 HG23 THR 17 -5.141 -11.737 4.496 125 H ASP 18 H ASP 18 -4.007 -14.127 -0.295 126 HA ASP 18 HA ASP 18 -2.548 -11.799 -0.750 127 HB2 ASP 18 HB2 ASP 18 -1.506 -12.995 -2.566 128 HB3 ASP 18 HB3 ASP 18 -1.652 -14.026 -1.151 129 H ALA 19 H ALA 19 -5.425 -12.971 -2.117 130 HA ALA 19 HA ALA 19 -5.617 -11.615 -4.511 131 HB1 ALA 19 HB1 ALA 19 -7.851 -12.047 -2.533 132 HB2 ALA 19 HB2 ALA 19 -7.290 -13.225 -3.721 133 HB3 ALA 19 HB3 ALA 19 -8.036 -11.719 -4.255 134 H ASP 20 H ASP 20 -5.884 -10.313 -1.274 135 HA ASP 20 HA ASP 20 -6.250 -7.626 -2.458 136 HB2 ASP 20 HB2 ASP 20 -7.949 -8.993 -0.616 137 HB3 ASP 20 HB3 ASP 20 -7.159 -7.691 0.257 138 H VAL 21 H VAL 21 -3.959 -9.479 -1.330 139 HA VAL 21 HA VAL 21 -2.485 -7.338 -0.006 140 HB VAL 21 HB VAL 21 -2.682 -10.099 1.247 141 HG11 VAL 21 HG11 VAL 21 -0.482 -9.158 1.512 142 HG12 VAL 21 HG12 VAL 21 -1.312 -9.179 3.068 143 HG13 VAL 21 HG13 VAL 21 -1.161 -7.668 2.167 144 HG21 VAL 21 HG21 VAL 21 -3.731 -9.035 3.198 145 HG22 VAL 21 HG22 VAL 21 -4.693 -8.839 1.724 146 HG23 VAL 21 HG23 VAL 21 -3.735 -7.491 2.336 147 H TYR 22 H TYR 22 -0.684 -7.233 -1.179 148 HA TYR 22 HA TYR 22 0.406 -9.756 -2.230 149 HB2 TYR 22 HB2 TYR 22 0.532 -6.981 -3.391 150 HB3 TYR 22 HB3 TYR 22 1.560 -8.295 -3.945 151 HD1 TYR 22 HD1 TYR 22 -1.913 -7.080 -3.746 152 HD2 TYR 22 HD2 TYR 22 0.710 -10.020 -5.338 153 HE1 TYR 22 HE1 TYR 22 -3.678 -7.810 -5.296 154 HE2 TYR 22 HE2 TYR 22 -1.040 -10.759 -6.882 155 HH TYR 22 HH TYR 22 -3.618 -10.649 -6.910 156 H GLU 23 H GLU 23 2.738 -9.882 -2.401 157 HA GLU 23 HA GLU 23 3.985 -8.952 -0.096 158 HB2 GLU 23 HB2 GLU 23 4.936 -10.352 -2.484 159 HB3 GLU 23 HB3 GLU 23 6.092 -9.816 -1.243 160 HG2 GLU 23 HG2 GLU 23 5.754 -11.860 -0.549 161 HG3 GLU 23 HG3 GLU 23 4.359 -11.197 0.233 162 H VAL 24 H VAL 24 5.531 -7.666 0.228 163 HA VAL 24 HA VAL 24 5.957 -5.550 -1.750 164 HB VAL 24 HB VAL 24 6.173 -5.418 1.281 165 HG11 VAL 24 HG11 VAL 24 6.747 -3.277 -0.770 166 HG12 VAL 24 HG12 VAL 24 7.946 -4.038 0.291 167 HG13 VAL 24 HG13 VAL 24 6.650 -3.038 0.972 168 HG21 VAL 24 HG21 VAL 24 4.402 -3.789 1.073 169 HG22 VAL 24 HG22 VAL 24 3.918 -5.336 0.367 170 HG23 VAL 24 HG23 VAL 24 4.411 -3.995 -0.676 171 H GLU 25 H GLU 25 7.760 -5.808 -2.847 172 HA GLU 25 HA GLU 25 10.043 -7.234 -1.876 173 HB2 GLU 25 HB2 GLU 25 9.487 -5.402 -4.157 174 HB3 GLU 25 HB3 GLU 25 11.175 -5.896 -3.883 175 HG2 GLU 25 HG2 GLU 25 8.741 -7.461 -4.726 176 HG3 GLU 25 HG3 GLU 25 10.164 -7.092 -5.666 177 H ASP 26 H ASP 26 9.473 -3.733 -2.579 178 HA ASP 26 HA ASP 26 10.376 -2.733 -0.159 179 HB2 ASP 26 HB2 ASP 26 12.614 -3.663 -1.263 180 HB3 ASP 26 HB3 ASP 26 12.510 -2.195 -2.227 181 H ILE 27 H ILE 27 11.197 -0.246 -0.712 182 HA ILE 27 HA ILE 27 8.952 0.802 -2.327 183 HB ILE 27 HB ILE 27 10.607 2.472 -0.418 184 HG12 ILE 27 HG12 ILE 27 9.837 0.561 0.946 185 HG13 ILE 27 HG13 ILE 27 9.013 2.038 1.412 186 HG21 ILE 27 HG21 ILE 27 9.133 3.659 -1.922 187 HG22 ILE 27 HG22 ILE 27 8.574 3.823 -0.262 188 HG23 ILE 27 HG23 ILE 27 7.758 2.716 -1.359 189 HD11 ILE 27 HD11 ILE 27 7.878 -0.175 -0.289 190 HD12 ILE 27 HD12 ILE 27 7.034 1.304 0.176 191 HD13 ILE 27 HD13 ILE 27 7.510 0.136 1.409 192 H LEU 28 H LEU 28 9.434 2.320 -3.937 193 HA LEU 28 HA LEU 28 12.293 2.605 -4.510 194 HB2 LEU 28 HB2 LEU 28 9.975 2.576 -6.401 195 HB3 LEU 28 HB3 LEU 28 11.610 2.988 -6.893 196 HG LEU 28 HG LEU 28 10.630 0.325 -5.854 197 HD11 LEU 28 HD11 LEU 28 9.983 0.796 -8.137 198 HD12 LEU 28 HD12 LEU 28 11.216 -0.464 -8.084 199 HD13 LEU 28 HD13 LEU 28 11.653 1.181 -8.547 200 HD21 LEU 28 HD21 LEU 28 13.414 1.167 -6.672 201 HD22 LEU 28 HD22 LEU 28 12.903 -0.488 -6.351 202 HD23 LEU 28 HD23 LEU 28 12.901 0.695 -5.048 203 H ALA 29 H ALA 29 9.426 4.472 -3.934 204 HA ALA 29 HA ALA 29 10.840 6.905 -3.698 205 HB1 ALA 29 HB1 ALA 29 10.844 6.837 -6.169 206 HB2 ALA 29 HB2 ALA 29 9.831 8.153 -5.573 207 HB3 ALA 29 HB3 ALA 29 9.088 6.667 -6.164 208 H ASP 30 H ASP 30 8.966 8.805 -3.711 209 HA ASP 30 HA ASP 30 6.597 7.654 -2.516 210 HB2 ASP 30 HB2 ASP 30 6.679 9.058 -0.568 211 HB3 ASP 30 HB3 ASP 30 8.190 8.167 -0.684 212 H ARG 31 H ARG 31 5.069 9.535 -1.878 213 HA ARG 31 HA ARG 31 5.015 11.845 -3.601 214 HB2 ARG 31 HB2 ARG 31 4.250 9.981 -5.124 215 HB3 ARG 31 HB3 ARG 31 2.996 9.596 -3.959 216 HG2 ARG 31 HG2 ARG 31 2.123 11.957 -4.330 217 HG3 ARG 31 HG3 ARG 31 3.229 12.040 -5.701 218 HD2 ARG 31 HD2 ARG 31 2.151 10.040 -6.663 219 HD3 ARG 31 HD3 ARG 31 1.020 10.013 -5.313 220 HE ARG 31 HE ARG 31 1.182 12.088 -7.383 221 HH11 ARG 31 HH11 ARG 31 -0.698 10.563 -4.761 222 HH12 ARG 31 HH12 ARG 31 -2.184 11.120 -5.212 223 HH21 ARG 31 HH21 ARG 31 -0.976 12.955 -8.075 224 HH22 ARG 31 HH22 ARG 31 -2.351 12.527 -7.150 225 H VAL 32 H VAL 32 3.110 13.131 -2.956 226 HA VAL 32 HA VAL 32 1.602 12.089 -0.745 227 HB VAL 32 HB VAL 32 3.519 13.373 0.190 228 HG11 VAL 32 HG11 VAL 32 3.827 15.067 -1.470 229 HG12 VAL 32 HG12 VAL 32 3.529 15.824 0.096 230 HG13 VAL 32 HG13 VAL 32 2.244 15.758 -1.111 231 HG21 VAL 32 HG21 VAL 32 0.798 14.542 0.755 232 HG22 VAL 32 HG22 VAL 32 2.206 14.648 1.824 233 HG23 VAL 32 HG23 VAL 32 1.486 13.076 1.448 234 H ASN 33 H ASN 33 -0.476 12.791 -0.674 235 HA ASN 33 HA ASN 33 -1.495 14.165 -3.033 236 HB2 ASN 33 HB2 ASN 33 -2.919 13.228 -0.529 237 HB3 ASN 33 HB3 ASN 33 -3.716 13.953 -1.907 238 HD21 ASN 33 HD21 ASN 33 -2.264 11.148 -0.566 239 HD22 ASN 33 HD22 ASN 33 -2.743 10.075 -1.820 240 H LYS 34 H LYS 34 -3.256 15.869 -2.500 241 HA LYS 34 HA LYS 34 -2.098 17.829 -0.686 242 HB2 LYS 34 HB2 LYS 34 -4.417 18.099 -2.619 243 HB3 LYS 34 HB3 LYS 34 -3.688 19.413 -1.701 244 HG2 LYS 34 HG2 LYS 34 -2.361 17.780 -3.859 245 HG3 LYS 34 HG3 LYS 34 -2.885 19.461 -3.987 246 HD2 LYS 34 HD2 LYS 34 -1.261 20.100 -2.263 247 HD3 LYS 34 HD3 LYS 34 -0.775 18.414 -2.091 248 HE2 LYS 34 HE2 LYS 34 -0.054 18.413 -4.446 249 HE3 LYS 34 HE3 LYS 34 -0.458 20.128 -4.547 250 HZ1 LYS 34 HZ1 LYS 34 1.899 19.787 -4.129 251 HZ2 LYS 34 HZ2 LYS 34 1.543 18.934 -2.713 252 HZ3 LYS 34 HZ3 LYS 34 1.169 20.578 -2.820 253 H ASN 35 H ASN 35 -4.514 15.532 -0.886 254 HA ASN 35 HA ASN 35 -6.399 16.523 0.961 255 HB2 ASN 35 HB2 ASN 35 -5.806 13.628 0.287 256 HB3 ASN 35 HB3 ASN 35 -7.260 14.221 1.068 257 HD21 ASN 35 HD21 ASN 35 -8.663 13.459 -0.479 258 HD22 ASN 35 HD22 ASN 35 -8.711 14.087 -2.088 259 H GLY 36 H GLY 36 -3.284 15.131 1.359 260 HA2 GLY 36 HA2 GLY 36 -2.198 15.436 3.484 261 HA3 GLY 36 HA3 GLY 36 -3.737 15.115 4.264 262 H ILE 37 H ILE 37 -2.872 13.047 1.633 263 HA ILE 37 HA ILE 37 -2.148 10.939 3.562 264 HB ILE 37 HB ILE 37 -3.411 10.666 0.797 265 HG12 ILE 37 HG12 ILE 37 -5.245 9.451 2.221 266 HG13 ILE 37 HG13 ILE 37 -4.488 10.372 3.519 267 HG21 ILE 37 HG21 ILE 37 -1.920 8.854 1.185 268 HG22 ILE 37 HG22 ILE 37 -3.603 8.304 1.256 269 HG23 ILE 37 HG23 ILE 37 -2.681 8.523 2.749 270 HD11 ILE 37 HD11 ILE 37 -5.707 11.549 1.060 271 HD12 ILE 37 HD12 ILE 37 -5.020 12.438 2.423 272 HD13 ILE 37 HD13 ILE 37 -6.487 11.473 2.643 273 H ASN 38 H ASN 38 -0.150 10.019 3.240 274 HA ASN 38 HA ASN 38 1.094 10.804 0.764 275 HB2 ASN 38 HB2 ASN 38 3.367 10.294 1.638 276 HB3 ASN 38 HB3 ASN 38 2.589 11.579 2.535 277 HD21 ASN 38 HD21 ASN 38 1.113 9.431 4.255 278 HD22 ASN 38 HD22 ASN 38 2.354 8.852 5.225 279 H GLU 39 H GLU 39 2.486 9.362 -0.381 280 HA GLU 39 HA GLU 39 1.365 6.618 -0.387 281 HB2 GLU 39 HB2 GLU 39 1.564 8.469 -2.753 282 HB3 GLU 39 HB3 GLU 39 0.931 6.830 -2.747 283 HG2 GLU 39 HG2 GLU 39 -1.032 7.450 -1.763 284 HG3 GLU 39 HG3 GLU 39 -0.324 8.885 -1.009 285 H TYR 40 H TYR 40 2.689 5.232 -1.846 286 HA TYR 40 HA TYR 40 5.325 6.370 -2.364 287 HB2 TYR 40 HB2 TYR 40 5.075 3.765 -0.881 288 HB3 TYR 40 HB3 TYR 40 6.517 4.731 -1.138 289 HD1 TYR 40 HD2 TYR 40 3.471 4.341 0.771 290 HD2 TYR 40 HD1 TYR 40 6.962 6.690 0.310 291 HE1 TYR 40 HE2 TYR 40 3.077 5.331 2.994 292 HE2 TYR 40 HE1 TYR 40 6.574 7.696 2.544 293 HH TYR 40 HH TYR 40 4.556 8.038 4.059 294 H TYR 41 H TYR 41 6.569 5.203 -3.823 295 HA TYR 41 HA TYR 41 5.098 3.663 -5.781 296 HB2 TYR 41 HB2 TYR 41 6.857 5.457 -6.279 297 HB3 TYR 41 HB3 TYR 41 8.060 4.306 -5.729 298 HD1 TYR 41 HD2 TYR 41 5.059 3.669 -7.856 299 HD2 TYR 41 HD1 TYR 41 9.301 3.918 -7.678 300 HE1 TYR 41 HE2 TYR 41 5.202 2.845 -10.159 301 HE2 TYR 41 HE1 TYR 41 9.453 3.075 -9.974 302 HH TYR 41 HH TYR 41 6.682 2.781 -12.013 303 H ILE 42 H ILE 42 4.718 1.606 -5.158 304 HA ILE 42 HA ILE 42 6.667 0.206 -3.474 305 HB ILE 42 HB ILE 42 3.882 -0.727 -4.178 306 HG12 ILE 42 HG12 ILE 42 3.666 1.467 -3.111 307 HG13 ILE 42 HG13 ILE 42 3.130 0.197 -2.020 308 HG21 ILE 42 HG21 ILE 42 5.726 -1.428 -1.892 309 HG22 ILE 42 HG22 ILE 42 5.368 -2.439 -3.290 310 HG23 ILE 42 HG23 ILE 42 4.096 -2.061 -2.129 311 HD11 ILE 42 HD11 ILE 42 4.389 1.873 -0.844 312 HD12 ILE 42 HD12 ILE 42 5.762 1.643 -1.926 313 HD13 ILE 42 HD13 ILE 42 5.266 0.344 -0.837 314 H LYS 43 H LYS 43 7.842 -1.492 -4.214 315 HA LYS 43 HA LYS 43 7.080 -2.585 -6.773 316 HB2 LYS 43 HB2 LYS 43 9.461 -2.143 -6.778 317 HB3 LYS 43 HB3 LYS 43 9.678 -2.948 -5.232 318 HG2 LYS 43 HG2 LYS 43 10.452 -4.208 -7.367 319 HG3 LYS 43 HG3 LYS 43 9.506 -5.109 -6.188 320 HD2 LYS 43 HD2 LYS 43 7.473 -4.663 -7.542 321 HD3 LYS 43 HD3 LYS 43 8.480 -3.842 -8.722 322 HE2 LYS 43 HE2 LYS 43 9.459 -5.853 -9.435 323 HE3 LYS 43 HE3 LYS 43 8.986 -6.706 -7.963 324 HZ1 LYS 43 HZ1 LYS 43 6.767 -6.744 -8.611 325 HZ2 LYS 43 HZ2 LYS 43 7.515 -7.233 -10.031 326 HZ3 LYS 43 HZ3 LYS 43 6.893 -5.677 -9.847 327 H TRP 44 H TRP 44 5.570 -3.912 -6.666 328 HA TRP 44 HA TRP 44 5.118 -5.536 -4.380 329 HB2 TRP 44 HB2 TRP 44 3.777 -5.517 -7.059 330 HB3 TRP 44 HB3 TRP 44 3.208 -6.376 -5.626 331 HD1 TRP 44 HD1 TRP 44 3.089 -3.041 -7.310 332 HE1 TRP 44 HE1 TRP 44 1.793 -1.395 -5.822 333 HE3 TRP 44 HE3 TRP 44 2.833 -5.840 -3.072 334 HZ2 TRP 44 HZ2 TRP 44 0.815 -1.302 -3.187 335 HZ3 TRP 44 HZ3 TRP 44 1.711 -4.915 -1.114 336 HH2 TRP 44 HH2 TRP 44 0.720 -2.688 -1.169 337 H ALA 45 H ALA 45 5.775 -7.451 -4.037 338 HA ALA 45 HA ALA 45 7.440 -8.809 -5.948 339 HB1 ALA 45 HB1 ALA 45 6.493 -9.471 -3.174 340 HB2 ALA 45 HB2 ALA 45 8.099 -8.917 -3.628 341 HB3 ALA 45 HB3 ALA 45 7.546 -10.521 -4.105 342 H GLY 46 H GLY 46 6.878 -11.004 -6.629 343 HA2 GLY 46 HA2 GLY 46 5.421 -12.812 -6.933 344 HA3 GLY 46 HA3 GLY 46 4.140 -11.878 -6.167 345 H TYR 47 H TYR 47 4.860 -9.532 -7.919 346 HA TYR 47 HA TYR 47 3.340 -10.521 -10.232 347 HB2 TYR 47 HB2 TYR 47 2.771 -8.349 -8.647 348 HB3 TYR 47 HB3 TYR 47 3.614 -7.615 -10.015 349 HD1 TYR 47 HD1 TYR 47 1.478 -10.372 -9.950 350 HD2 TYR 47 HD2 TYR 47 2.007 -6.609 -11.257 351 HE1 TYR 47 HE1 TYR 47 -0.666 -10.601 -11.280 352 HE2 TYR 47 HE2 TYR 47 -0.006 -6.692 -12.687 353 HH TYR 47 HH TYR 47 -2.290 -9.229 -12.417 354 H ASP 48 H ASP 48 3.599 -9.103 -12.001 355 HA ASP 48 HA ASP 48 6.125 -9.432 -13.246 356 HB2 ASP 48 HB2 ASP 48 4.195 -9.221 -14.659 357 HB3 ASP 48 HB3 ASP 48 3.874 -7.584 -14.059 358 H TRP 49 H TRP 49 7.671 -7.967 -13.937 359 HA TRP 49 HA TRP 49 8.605 -6.354 -11.810 360 HB2 TRP 49 HB2 TRP 49 9.617 -6.593 -14.636 361 HB3 TRP 49 HB3 TRP 49 10.469 -5.782 -13.323 362 HD1 TRP 49 HD1 TRP 49 9.480 -9.261 -14.554 363 HE1 TRP 49 HE1 TRP 49 10.874 -11.013 -13.292 364 HE3 TRP 49 HE3 TRP 49 11.718 -6.196 -11.124 365 HZ2 TRP 49 HZ2 TRP 49 12.687 -11.090 -11.118 366 HZ3 TRP 49 HZ3 TRP 49 13.266 -7.189 -9.485 367 HH2 TRP 49 HH2 TRP 49 13.737 -9.583 -9.485 368 H TYR 50 H TYR 50 6.610 -5.556 -14.552 369 HA TYR 50 HA TYR 50 7.197 -2.711 -14.295 370 HB2 TYR 50 HB2 TYR 50 5.590 -4.240 -16.353 371 HB3 TYR 50 HB3 TYR 50 5.870 -2.503 -16.380 372 HD1 TYR 50 HD2 TYR 50 8.251 -1.673 -16.626 373 HD2 TYR 50 HD1 TYR 50 7.168 -5.736 -17.270 374 HE1 TYR 50 HE2 TYR 50 10.333 -2.022 -17.883 375 HE2 TYR 50 HE1 TYR 50 9.251 -6.098 -18.529 376 HH TYR 50 HH TYR 50 11.817 -3.902 -18.488 377 H ASP 51 H ASP 51 5.597 -4.371 -12.343 378 HA ASP 51 HA ASP 51 2.850 -3.520 -12.691 379 HB2 ASP 51 HB2 ASP 51 2.355 -4.871 -10.943 380 HB3 ASP 51 HB3 ASP 51 3.613 -5.791 -11.805 381 H ASN 52 H ASN 52 5.561 -2.353 -11.196 382 HA ASN 52 HA ASN 52 4.971 -1.548 -8.604 383 HB2 ASN 52 HB2 ASN 52 6.556 0.084 -10.597 384 HB3 ASN 52 HB3 ASN 52 6.659 0.184 -8.858 385 HD21 ASN 52 HD21 ASN 52 6.548 -3.014 -10.345 386 HD22 ASN 52 HD22 ASN 52 8.247 -3.258 -10.252 387 H THR 53 H THR 53 3.833 0.111 -7.730 388 HA THR 53 HA THR 53 2.973 2.290 -9.382 389 HB THR 53 HB THR 53 1.245 0.598 -9.887 390 HG1 THR 53 HG1 THR 53 -0.430 2.075 -8.403 391 HG21 THR 53 HG21 THR 53 0.694 0.587 -6.903 392 HG22 THR 53 HG22 THR 53 1.368 -0.754 -7.828 393 HG23 THR 53 HG23 THR 53 -0.285 -0.229 -8.121 394 H TRP 54 H TRP 54 1.481 3.670 -7.970 395 HA TRP 54 HA TRP 54 2.835 4.067 -5.404 396 HB2 TRP 54 HB2 TRP 54 0.879 5.889 -6.821 397 HB3 TRP 54 HB3 TRP 54 1.956 6.305 -5.496 398 HD1 TRP 54 HD1 TRP 54 1.950 5.657 -9.272 399 HE1 TRP 54 HE1 TRP 54 4.091 6.637 -10.288 400 HE3 TRP 54 HE3 TRP 54 4.386 6.970 -4.961 401 HZ2 TRP 54 HZ2 TRP 54 6.474 7.829 -9.406 402 HZ3 TRP 54 HZ3 TRP 54 6.580 8.034 -5.155 403 HH2 TRP 54 HH2 TRP 54 7.608 8.451 -7.322 404 H GLU 55 H GLU 55 1.676 3.589 -3.511 405 HA GLU 55 HA GLU 55 -1.184 3.866 -3.782 406 HB2 GLU 55 HB2 GLU 55 -1.756 1.864 -2.612 407 HB3 GLU 55 HB3 GLU 55 -0.667 1.405 -3.899 408 HG2 GLU 55 HG2 GLU 55 1.040 0.890 -2.424 409 HG3 GLU 55 HG3 GLU 55 0.333 1.858 -1.124 410 HA PRO 56 HA PRO 56 -0.837 6.204 -0.109 411 HB2 PRO 56 HB2 PRO 56 -3.117 5.487 1.241 412 HB3 PRO 56 HB3 PRO 56 -3.100 6.635 -0.114 413 HG2 PRO 56 HG2 PRO 56 -3.814 3.754 -0.120 414 HG3 PRO 56 HG3 PRO 56 -4.582 5.111 -0.972 415 HD2 PRO 56 HD2 PRO 56 -2.956 3.446 -2.253 416 HD3 PRO 56 HD3 PRO 56 -2.977 5.184 -2.611 417 H GLU 57 H GLU 57 -0.500 6.107 2.077 418 HA GLU 57 HA GLU 57 1.136 4.111 3.046 419 HB2 GLU 57 HB2 GLU 57 0.927 5.373 5.159 420 HB3 GLU 57 HB3 GLU 57 1.220 6.393 3.751 421 HG2 GLU 57 HG2 GLU 57 -1.270 6.759 3.638 422 HG3 GLU 57 HG3 GLU 57 -1.371 5.982 5.214 423 H GLN 58 H GLN 58 -2.293 4.397 3.318 424 HA GLN 58 HA GLN 58 -2.784 2.997 5.692 425 HB2 GLN 58 HB2 GLN 58 -4.538 3.357 3.284 426 HB3 GLN 58 HB3 GLN 58 -5.087 2.678 4.808 427 HG2 GLN 58 HG2 GLN 58 -3.972 5.454 4.428 428 HG3 GLN 58 HG3 GLN 58 -5.679 5.046 4.571 429 HE21 GLN 58 HE21 GLN 58 -2.660 5.441 6.302 430 HE22 GLN 58 HE22 GLN 58 -3.362 5.311 7.861 431 H ASN 59 H ASN 59 -2.049 1.788 2.570 432 HA ASN 59 HA ASN 59 -3.145 -0.807 3.216 433 HB2 ASN 59 HB2 ASN 59 -1.855 0.274 0.738 434 HB3 ASN 59 HB3 ASN 59 -2.322 -1.408 0.901 435 HD21 ASN 59 HD21 ASN 59 -3.510 1.782 1.076 436 HD22 ASN 59 HD22 ASN 59 -5.111 1.408 0.436 437 H LEU 60 H LEU 60 -0.296 0.797 3.667 438 HA LEU 60 HA LEU 60 1.520 -1.460 3.311 439 HB2 LEU 60 HB2 LEU 60 1.960 1.425 4.009 440 HB3 LEU 60 HB3 LEU 60 3.239 0.231 3.871 441 HG LEU 60 HG LEU 60 1.386 0.960 1.615 442 HD11 LEU 60 HD11 LEU 60 3.192 2.239 0.726 443 HD12 LEU 60 HD12 LEU 60 4.194 1.854 2.125 444 HD13 LEU 60 HD13 LEU 60 2.752 2.858 2.316 445 HD21 LEU 60 HD21 LEU 60 3.092 -0.120 0.238 446 HD22 LEU 60 HD22 LEU 60 2.371 -1.236 1.390 447 HD23 LEU 60 HD23 LEU 60 3.977 -0.568 1.694 448 H PHE 61 H PHE 61 -0.537 -1.179 5.454 449 HA PHE 61 HA PHE 61 0.510 -0.721 7.973 450 HB2 PHE 61 HB2 PHE 61 -1.323 -2.010 8.863 451 HB3 PHE 61 HB3 PHE 61 -1.893 -1.237 7.389 452 HD1 PHE 61 HD1 PHE 61 -1.962 -2.661 5.248 453 HD2 PHE 61 HD2 PHE 61 -1.531 -4.315 9.146 454 HE1 PHE 61 HE1 PHE 61 -2.704 -4.854 4.406 455 HE2 PHE 61 HE2 PHE 61 -2.275 -6.505 8.301 456 HZ PHE 61 HZ PHE 61 -2.861 -6.771 5.931 457 H GLY 62 H GLY 62 1.024 -3.515 5.920 458 HA2 GLY 62 HA2 GLY 62 2.328 -5.002 8.068 459 HA3 GLY 62 HA3 GLY 62 2.008 -5.596 6.443 460 H ALA 63 H ALA 63 3.129 -3.091 5.265 461 HA ALA 63 HA ALA 63 5.926 -3.858 5.459 462 HB1 ALA 63 HB1 ALA 63 6.145 -2.690 3.331 463 HB2 ALA 63 HB2 ALA 63 4.452 -2.201 3.424 464 HB3 ALA 63 HB3 ALA 63 4.868 -3.907 3.262 465 H GLU 64 H GLU 64 4.463 -2.119 7.410 466 HA GLU 64 HA GLU 64 5.433 0.500 7.053 467 HB2 GLU 64 HB2 GLU 64 3.519 0.135 8.491 468 HB3 GLU 64 HB3 GLU 64 4.453 -0.901 9.550 469 HG2 GLU 64 HG2 GLU 64 3.992 1.347 10.496 470 HG3 GLU 64 HG3 GLU 64 5.700 0.964 10.393 471 H LYS 65 H LYS 65 6.784 -2.317 8.408 472 HA LYS 65 HA LYS 65 9.030 -1.216 9.715 473 HB2 LYS 65 HB2 LYS 65 8.470 -3.503 10.094 474 HB3 LYS 65 HB3 LYS 65 8.521 -3.872 8.383 475 HG2 LYS 65 HG2 LYS 65 10.932 -3.660 8.381 476 HG3 LYS 65 HG3 LYS 65 10.910 -3.182 10.082 477 HD2 LYS 65 HD2 LYS 65 10.185 -5.310 10.784 478 HD3 LYS 65 HD3 LYS 65 9.717 -5.779 9.150 479 HE2 LYS 65 HE2 LYS 65 12.544 -5.274 10.062 480 HE3 LYS 65 HE3 LYS 65 11.802 -6.868 9.907 481 HZ1 LYS 65 HZ1 LYS 65 13.073 -6.379 7.935 482 HZ2 LYS 65 HZ2 LYS 65 12.250 -4.917 7.712 483 HZ3 LYS 65 HZ3 LYS 65 11.420 -6.374 7.541 484 H VAL 66 H VAL 66 8.676 -2.400 6.378 485 HA VAL 66 HA VAL 66 11.271 -1.592 5.529 486 HB VAL 66 HB VAL 66 8.767 -2.343 3.965 487 HG11 VAL 66 HG11 VAL 66 11.569 -1.923 2.907 488 HG12 VAL 66 HG12 VAL 66 10.168 -0.896 2.570 489 HG13 VAL 66 HG13 VAL 66 10.194 -2.571 2.009 490 HG21 VAL 66 HG21 VAL 66 11.326 -3.833 4.494 491 HG22 VAL 66 HG22 VAL 66 9.951 -4.432 3.564 492 HG23 VAL 66 HG23 VAL 66 9.787 -4.121 5.294 493 H LEU 67 H LEU 67 8.116 -0.165 5.572 494 HA LEU 67 HA LEU 67 8.684 2.106 4.079 495 HB2 LEU 67 HB2 LEU 67 6.424 1.103 4.858 496 HB3 LEU 67 HB3 LEU 67 6.698 2.030 6.318 497 HG LEU 67 HG LEU 67 6.661 4.111 5.037 498 HD11 LEU 67 HD11 LEU 67 6.245 2.299 2.669 499 HD12 LEU 67 HD12 LEU 67 7.628 3.366 2.953 500 HD13 LEU 67 HD13 LEU 67 6.032 4.043 2.663 501 HD21 LEU 67 HD21 LEU 67 4.553 3.167 5.895 502 HD22 LEU 67 HD22 LEU 67 4.329 2.313 4.362 503 HD23 LEU 67 HD23 LEU 67 4.326 4.073 4.401 504 H LYS 68 H LYS 68 8.870 1.467 7.581 505 HA LYS 68 HA LYS 68 9.753 3.942 8.515 506 HB2 LYS 68 HB2 LYS 68 10.485 1.151 9.394 507 HB3 LYS 68 HB3 LYS 68 11.177 2.559 10.165 508 HG2 LYS 68 HG2 LYS 68 8.243 1.876 10.065 509 HG3 LYS 68 HG3 LYS 68 9.321 1.587 11.432 510 HD2 LYS 68 HD2 LYS 68 9.783 4.088 11.401 511 HD3 LYS 68 HD3 LYS 68 8.421 4.225 10.289 512 HE2 LYS 68 HE2 LYS 68 8.369 3.181 13.121 513 HE3 LYS 68 HE3 LYS 68 7.641 4.665 12.518 514 HZ1 LYS 68 HZ1 LYS 68 6.234 3.262 11.082 515 HZ2 LYS 68 HZ2 LYS 68 5.921 3.030 12.722 516 HZ3 LYS 68 HZ3 LYS 68 6.830 1.895 11.845 517 H LYS 69 H LYS 69 11.609 1.267 7.138 518 HA LYS 69 HA LYS 69 14.185 2.370 7.334 519 HB2 LYS 69 HB2 LYS 69 13.738 0.045 6.612 520 HB3 LYS 69 HB3 LYS 69 13.081 0.657 5.099 521 HG2 LYS 69 HG2 LYS 69 15.445 1.821 4.933 522 HG3 LYS 69 HG3 LYS 69 15.911 0.524 6.028 523 HD2 LYS 69 HD2 LYS 69 16.348 -0.177 3.761 524 HD3 LYS 69 HD3 LYS 69 14.985 -1.113 4.380 525 HE2 LYS 69 HE2 LYS 69 13.412 0.257 3.166 526 HE3 LYS 69 HE3 LYS 69 14.683 1.385 2.704 527 HZ1 LYS 69 HZ1 LYS 69 14.070 -0.113 0.901 528 HZ2 LYS 69 HZ2 LYS 69 14.321 -1.418 1.749 529 HZ3 LYS 69 HZ3 LYS 69 15.654 -0.450 1.324 530 H TRP 70 H TRP 70 11.826 2.504 4.692 531 HA TRP 70 HA TRP 70 13.274 4.110 2.933 532 HB2 TRP 70 HB2 TRP 70 11.404 2.976 2.005 533 HB3 TRP 70 HB3 TRP 70 10.307 3.630 3.222 534 HD1 TRP 70 HD1 TRP 70 9.050 5.791 2.622 535 HE1 TRP 70 HE1 TRP 70 9.194 7.537 0.763 536 HE3 TRP 70 HE3 TRP 70 13.233 4.072 0.235 537 HZ2 TRP 70 HZ2 TRP 70 10.847 8.109 -1.459 538 HZ3 TRP 70 HZ3 TRP 70 14.028 5.279 -1.753 539 HH2 TRP 70 HH2 TRP 70 12.859 7.254 -2.582 540 H LYS 71 H LYS 71 10.744 5.029 5.191 541 HA LYS 71 HA LYS 71 10.892 7.756 4.630 542 HB2 LYS 71 HB2 LYS 71 9.727 6.370 7.066 543 HB3 LYS 71 HB3 LYS 71 9.521 8.087 6.667 544 HG2 LYS 71 HG2 LYS 71 8.386 7.524 4.616 545 HG3 LYS 71 HG3 LYS 71 8.665 5.815 4.895 546 HD2 LYS 71 HD2 LYS 71 6.960 7.602 6.652 547 HD3 LYS 71 HD3 LYS 71 6.335 6.557 5.386 548 HE2 LYS 71 HE2 LYS 71 7.511 4.641 6.703 549 HE3 LYS 71 HE3 LYS 71 7.603 5.811 8.004 550 HZ1 LYS 71 HZ1 LYS 71 5.603 4.423 8.212 551 HZ2 LYS 71 HZ2 LYS 71 5.087 4.863 6.718 552 HZ3 LYS 71 HZ3 LYS 71 5.134 6.022 7.935 553 H LYS 72 H LYS 72 12.868 5.826 6.612 554 HA LYS 72 HA LYS 72 14.026 8.041 8.035 555 HB2 LYS 72 HB2 LYS 72 14.029 5.783 9.027 556 HB3 LYS 72 HB3 LYS 72 14.996 5.201 7.691 557 HG2 LYS 72 HG2 LYS 72 16.298 5.547 9.748 558 HG3 LYS 72 HG3 LYS 72 16.880 6.493 8.387 559 HD2 LYS 72 HD2 LYS 72 16.934 7.809 10.452 560 HD3 LYS 72 HD3 LYS 72 15.797 8.501 9.308 561 HE2 LYS 72 HE2 LYS 72 14.930 6.630 11.481 562 HE3 LYS 72 HE3 LYS 72 15.126 8.356 11.795 563 HZ1 LYS 72 HZ1 LYS 72 13.444 8.766 10.037 564 HZ2 LYS 72 HZ2 LYS 72 12.824 7.853 11.304 565 HZ3 LYS 72 HZ3 LYS 72 13.224 7.100 9.850 566 H ARG 73 H ARG 73 14.691 6.263 5.101 567 HA ARG 73 HA ARG 73 17.189 7.631 4.632 568 HB2 ARG 73 HB2 ARG 73 15.584 5.867 2.774 569 HB3 ARG 73 HB3 ARG 73 17.214 6.445 2.476 570 HG2 ARG 73 HG2 ARG 73 16.380 4.571 4.699 571 HG3 ARG 73 HG3 ARG 73 17.199 4.108 3.214 572 HD2 ARG 73 HD2 ARG 73 18.825 4.190 4.997 573 HD3 ARG 73 HD3 ARG 73 19.133 5.534 3.907 574 HE ARG 73 HE ARG 73 17.454 6.364 6.013 575 HH11 ARG 73 HH11 ARG 73 20.813 5.409 5.521 576 HH12 ARG 73 HH12 ARG 73 21.468 6.451 6.690 577 HH21 ARG 73 HH21 ARG 73 18.304 7.867 7.586 578 HH22 ARG 73 HH22 ARG 73 19.975 7.907 7.925 579 H LYS 74 H LYS 74 13.935 8.141 4.030 580 HA LYS 74 HA LYS 74 13.952 9.751 1.712 581 HB2 LYS 74 HB2 LYS 74 11.974 8.597 2.385 582 HB3 LYS 74 HB3 LYS 74 11.932 9.513 3.894 583 HG2 LYS 74 HG2 LYS 74 11.734 11.581 2.653 584 HG3 LYS 74 HG3 LYS 74 11.787 10.687 1.147 585 HD2 LYS 74 HD2 LYS 74 9.780 9.710 1.543 586 HD3 LYS 74 HD3 LYS 74 9.813 10.226 3.253 587 HE2 LYS 74 HE2 LYS 74 8.304 11.673 1.754 588 HE3 LYS 74 HE3 LYS 74 9.545 12.546 2.647 589 HZ1 LYS 74 HZ1 LYS 74 9.319 13.186 0.268 590 HZ2 LYS 74 HZ2 LYS 74 9.830 11.656 -0.180 591 HZ3 LYS 74 HZ3 LYS 74 10.888 12.713 0.661 592 H LYS 75 H LYS 75 14.167 11.720 1.264 593 HA LYS 75 HA LYS 75 14.119 13.685 3.376 594 HB2 LYS 75 HB2 LYS 75 15.098 13.848 0.493 595 HB3 LYS 75 HB3 LYS 75 14.964 15.242 1.559 596 HG2 LYS 75 HG2 LYS 75 17.209 14.686 1.773 597 HG3 LYS 75 HG3 LYS 75 16.410 13.866 3.127 598 HD2 LYS 75 HD2 LYS 75 16.273 11.864 1.495 599 HD3 LYS 75 HD3 LYS 75 17.611 12.686 0.679 600 HE2 LYS 75 HE2 LYS 75 18.526 11.155 2.282 601 HE3 LYS 75 HE3 LYS 75 18.783 12.800 2.875 602 HZ1 LYS 75 HZ1 LYS 75 16.687 10.895 3.715 603 HZ2 LYS 75 HZ2 LYS 75 16.664 12.479 4.201 604 HZ3 LYS 75 HZ3 LYS 75 17.936 11.462 4.702 605 H1 ALA 1 H1 ALA 1 2.927 -19.667 3.328 606 H2 ALA 1 H2 ALA 1 2.453 -21.236 3.021 607 H3 ALA 1 H3 ALA 1 2.246 -20.136 1.882 608 HA ALA 1 HA ALA 1 4.915 -21.007 2.905 609 HB1 ALA 1 HB1 ALA 1 3.536 -21.614 0.288 610 HB2 ALA 1 HB2 ALA 1 3.766 -22.746 1.619 611 HB3 ALA 1 HB3 ALA 1 5.161 -22.126 0.738 612 H ARG 2 H ARG 2 3.762 -18.207 2.507 613 HA ARG 2 HA ARG 2 5.794 -17.254 0.657 614 HB2 ARG 2 HB2 ARG 2 2.931 -16.288 1.019 615 HB3 ARG 2 HB3 ARG 2 4.155 -15.395 0.124 616 HG2 ARG 2 HG2 ARG 2 4.270 -17.017 -1.570 617 HG3 ARG 2 HG3 ARG 2 3.443 -18.221 -0.589 618 HD2 ARG 2 HD2 ARG 2 1.976 -17.401 -2.322 619 HD3 ARG 2 HD3 ARG 2 1.381 -16.906 -0.746 620 HE ARG 2 HE ARG 2 2.890 -14.783 -1.709 621 HH11 ARG 2 HH11 ARG 2 0.026 -16.612 -2.778 622 HH12 ARG 2 HH12 ARG 2 -0.754 -15.291 -3.483 623 HH21 ARG 2 HH21 ARG 2 1.878 -12.969 -2.701 624 HH22 ARG 2 HH22 ARG 2 0.359 -13.145 -3.471 625 H THR 3 H THR 3 7.111 -15.747 1.680 626 HA THR 3 HA THR 3 6.103 -14.476 4.067 627 HB THR 3 HB THR 3 8.601 -16.202 4.170 628 HG1 THR 3 HG1 THR 3 5.936 -16.618 4.709 629 HG21 THR 3 HG21 THR 3 8.551 -15.694 6.586 630 HG22 THR 3 HG22 THR 3 7.150 -14.653 6.342 631 HG23 THR 3 HG23 THR 3 8.707 -14.212 5.645 632 H LYS 4 H LYS 4 6.294 -12.540 3.140 633 HA LYS 4 HA LYS 4 8.885 -11.334 3.212 634 HB2 LYS 4 HB2 LYS 4 7.060 -11.106 0.794 635 HB3 LYS 4 HB3 LYS 4 8.280 -9.910 1.175 636 HG2 LYS 4 HG2 LYS 4 9.979 -11.763 1.036 637 HG3 LYS 4 HG3 LYS 4 8.691 -12.774 0.379 638 HD2 LYS 4 HD2 LYS 4 8.374 -11.264 -1.462 639 HD3 LYS 4 HD3 LYS 4 9.545 -10.125 -0.793 640 HE2 LYS 4 HE2 LYS 4 11.282 -11.932 -0.954 641 HE3 LYS 4 HE3 LYS 4 10.102 -12.915 -1.813 642 HZ1 LYS 4 HZ1 LYS 4 11.595 -11.732 -3.379 643 HZ2 LYS 4 HZ2 LYS 4 11.139 -10.264 -2.733 644 HZ3 LYS 4 HZ3 LYS 4 10.058 -11.101 -3.567 645 H GLN 5 H GLN 5 8.542 -8.903 3.272 646 HA GLN 5 HA GLN 5 6.461 -8.162 5.069 647 HB2 GLN 5 HB2 GLN 5 8.746 -6.933 4.097 648 HB3 GLN 5 HB3 GLN 5 7.460 -6.170 3.159 649 HG2 GLN 5 HG2 GLN 5 7.838 -4.787 4.941 650 HG3 GLN 5 HG3 GLN 5 6.323 -5.681 5.181 651 HE21 GLN 5 HE21 GLN 5 6.084 -6.972 6.929 652 HE22 GLN 5 HE22 GLN 5 7.259 -7.241 8.151 653 H THR 6 H THR 6 4.255 -7.415 4.401 654 HA THR 6 HA THR 6 3.958 -7.256 1.513 655 HB THR 6 HB THR 6 2.061 -8.621 1.435 656 HG1 THR 6 HG1 THR 6 1.037 -9.399 3.293 657 HG21 THR 6 HG21 THR 6 2.861 -10.828 2.030 658 HG22 THR 6 HG22 THR 6 3.884 -10.140 3.277 659 HG23 THR 6 HG23 THR 6 4.274 -9.840 1.598 660 H ALA 7 H ALA 7 1.782 -6.321 0.904 661 HA ALA 7 HA ALA 7 0.522 -4.707 2.935 662 HB1 ALA 7 HB1 ALA 7 2.299 -3.255 2.142 663 HB2 ALA 7 HB2 ALA 7 0.739 -2.664 1.551 664 HB3 ALA 7 HB3 ALA 7 1.831 -3.537 0.474 665 H ARG 8 H ARG 8 -1.350 -3.493 1.685 666 HA ARG 8 HA ARG 8 -2.919 -5.613 0.687 667 HB2 ARG 8 HB2 ARG 8 -3.747 -2.745 0.264 668 HB3 ARG 8 HB3 ARG 8 -4.747 -4.165 0.419 669 HG2 ARG 8 HG2 ARG 8 -3.697 -4.217 2.876 670 HG3 ARG 8 HG3 ARG 8 -3.425 -2.509 2.429 671 HD2 ARG 8 HD2 ARG 8 -5.499 -2.592 3.582 672 HD3 ARG 8 HD3 ARG 8 -5.805 -2.278 1.877 673 HE ARG 8 HE ARG 8 -6.473 -4.654 3.396 674 HH11 ARG 8 HH11 ARG 8 -6.412 -3.167 0.116 675 HH12 ARG 8 HH12 ARG 8 -7.512 -4.367 -0.468 676 HH21 ARG 8 HH21 ARG 8 -8.122 -6.130 2.391 677 HH22 ARG 8 HH22 ARG 8 -8.400 -5.853 0.713 678 H M3L 9 H M3L 9 -1.851 -2.709 -1.073 679 HA M3L 9 HA M3L 9 -1.512 -2.239 -3.181 680 HB2 M3L 9 1HB M3L 9 -0.609 -4.408 -3.825 681 HB3 M3L 9 2HB M3L 9 -2.242 -5.035 -4.031 682 HG2 M3L 9 1HG M3L 9 -1.392 -2.609 -5.560 683 HG3 M3L 9 2HG M3L 9 -2.635 -3.789 -5.954 684 HD2 M3L 9 1HD M3L 9 -0.218 -3.651 -7.109 685 HD3 M3L 9 2HD M3L 9 0.145 -4.808 -5.850 686 HE2 M3L 9 1HE M3L 9 -2.171 -4.996 -7.808 687 HE3 M3L 9 2HE M3L 9 -1.793 -6.174 -6.592 688 HM11 M3L 9 1HM1 M3L 9 -0.439 -7.892 -9.743 689 HM12 M3L 9 2HM1 M3L 9 -1.562 -7.995 -8.392 690 HM13 M3L 9 3HM1 M3L 9 -1.874 -6.884 -9.670 691 HM21 M3L 9 1HM2 M3L 9 1.176 -7.655 -8.012 692 HM22 M3L 9 2HM2 M3L 9 0.533 -7.054 -6.490 693 HM23 M3L 9 3HM2 M3L 9 1.632 -6.094 -7.423 694 HM31 M3L 9 3HM3 M3L 9 1.308 -5.173 -9.260 695 HM32 M3L 9 1HM3 M3L 9 -0.100 -5.252 -10.272 696 HM33 M3L 9 2HM3 M3L 9 -0.017 -4.111 -8.969 697 H SER 10 H SER 10 -3.068 -0.904 -2.619 698 HA SER 10 HA SER 10 -5.800 -1.414 -3.041 699 HB2 SER 10 HB2 SER 10 -5.947 1.172 -2.894 700 HB3 SER 10 HB3 SER 10 -5.415 0.264 -1.482 701 HG SER 10 HG SER 10 -3.187 0.740 -2.282 702 H THR 11 H THR 11 -6.141 -2.205 -5.008 703 HA THR 11 HA THR 11 -5.339 -0.633 -7.314 704 HB THR 11 HB THR 11 -6.653 -3.368 -7.270 705 HG1 THR 11 HG1 THR 11 -4.605 -3.250 -6.103 706 HG21 THR 11 HG21 THR 11 -5.624 -3.575 -9.504 707 HG22 THR 11 HG22 THR 11 -4.949 -1.954 -9.346 708 HG23 THR 11 HG23 THR 11 -6.696 -2.176 -9.439 709 H GLY 12 H GLY 12 -6.802 1.068 -7.279 710 HA2 GLY 12 HA2 GLY 12 -9.365 0.508 -8.359 711 HA3 GLY 12 HA3 GLY 12 -9.454 1.044 -6.682 712 H GLY 13 H GLY 13 -10.524 2.478 -8.858 713 HA2 GLY 13 HA2 GLY 13 -9.166 4.982 -8.430 714 HA3 GLY 13 HA3 GLY 13 -9.132 4.395 -10.090 715 H LYS 14 H LYS 14 -10.299 6.588 -10.172 716 HA LYS 14 HA LYS 14 -13.113 6.034 -10.498 717 HB2 LYS 14 HB2 LYS 14 -12.022 8.441 -8.982 718 HB3 LYS 14 HB3 LYS 14 -13.660 8.342 -9.606 719 HG2 LYS 14 HG2 LYS 14 -12.486 6.473 -7.551 720 HG3 LYS 14 HG3 LYS 14 -13.506 7.867 -7.187 721 HD2 LYS 14 HD2 LYS 14 -15.373 6.891 -8.326 722 HD3 LYS 14 HD3 LYS 14 -14.371 5.606 -8.994 723 HE2 LYS 14 HE2 LYS 14 -14.985 6.017 -6.073 724 HE3 LYS 14 HE3 LYS 14 -15.727 4.809 -7.123 725 HZ1 LYS 14 HZ1 LYS 14 -13.972 3.745 -5.920 726 HZ2 LYS 14 HZ2 LYS 14 -12.887 4.981 -6.307 727 HZ3 LYS 14 HZ3 LYS 14 -13.417 3.951 -7.520 728 H ALA 15 H ALA 15 -13.957 7.256 -12.250 729 HA ALA 15 HA ALA 15 -12.084 8.971 -13.635 730 HB1 ALA 15 HB1 ALA 15 -12.499 7.782 -15.751 731 HB2 ALA 15 HB2 ALA 15 -13.448 6.575 -14.884 732 HB3 ALA 15 HB3 ALA 15 -11.721 6.727 -14.569 733 HA PRO 16 HA PRO 16 -15.926 11.162 -14.120 734 HB2 PRO 16 HB2 PRO 16 -15.155 12.891 -16.099 735 HB3 PRO 16 HB3 PRO 16 -14.678 13.106 -14.403 736 HG2 PRO 16 HG2 PRO 16 -13.104 12.015 -16.659 737 HG3 PRO 16 HG3 PRO 16 -12.586 13.037 -15.303 738 HD2 PRO 16 HD2 PRO 16 -12.123 10.363 -15.399 739 HD3 PRO 16 HD3 PRO 16 -12.315 11.272 -13.888 740 H ARG 17 H ARG 17 -17.598 10.234 -15.101 741 HA ARG 17 HA ARG 17 -17.535 9.825 -17.969 742 HB2 ARG 17 HB2 ARG 17 -18.563 7.582 -17.741 743 HB3 ARG 17 HB3 ARG 17 -16.919 7.624 -17.125 744 HG2 ARG 17 HG2 ARG 17 -17.604 7.396 -14.920 745 HG3 ARG 17 HG3 ARG 17 -19.222 8.009 -15.258 746 HD2 ARG 17 HD2 ARG 17 -18.171 5.375 -16.292 747 HD3 ARG 17 HD3 ARG 17 -19.105 5.542 -14.805 748 HE ARG 17 HE ARG 17 -20.377 6.678 -17.162 749 HH11 ARG 17 HH11 ARG 17 -20.049 3.678 -15.328 750 HH12 ARG 17 HH12 ARG 17 -21.612 3.118 -15.746 751 HH21 ARG 17 HH21 ARG 17 -22.401 6.021 -17.649 752 HH22 ARG 17 HH22 ARG 17 -23.052 4.530 -17.161 753 H TYR 18 H TYR 18 -19.897 8.735 -18.383 754 HA TYR 18 HA TYR 18 -21.927 9.963 -16.823 755 HB2 TYR 18 HB2 TYR 18 -23.071 10.598 -18.988 756 HB3 TYR 18 HB3 TYR 18 -21.619 11.541 -18.706 757 HD1 TYR 18 HD2 TYR 18 -19.601 11.148 -20.085 758 HD2 TYR 18 HD1 TYR 18 -23.241 9.082 -20.871 759 HE1 TYR 18 HE2 TYR 18 -18.760 10.523 -22.302 760 HE2 TYR 18 HE1 TYR 18 -22.402 8.451 -23.093 761 HH TYR 18 HH TYR 18 -20.749 9.225 -24.725 Start of MODEL 14 1 H1 MET 1 H1 MET 1 19.949 -8.762 18.561 2 H2 MET 1 H2 MET 1 21.262 -9.498 19.249 3 H3 MET 1 H3 MET 1 21.374 -8.928 17.629 4 HA MET 1 HA MET 1 22.470 -7.418 19.211 5 HB2 MET 1 HB2 MET 1 19.754 -6.378 18.314 6 HB3 MET 1 HB3 MET 1 21.088 -5.370 18.848 7 HG2 MET 1 HG2 MET 1 22.406 -6.049 16.926 8 HG3 MET 1 HG3 MET 1 21.123 -7.146 16.414 9 HE1 MET 1 HE1 MET 1 22.435 -4.919 14.506 10 HE2 MET 1 HE2 MET 1 20.988 -4.289 13.719 11 HE3 MET 1 HE3 MET 1 21.161 -6.022 13.987 12 H VAL 2 H VAL 2 21.885 -5.809 21.093 13 HA VAL 2 HA VAL 2 20.403 -7.363 23.021 14 HB VAL 2 HB VAL 2 21.790 -4.673 23.394 15 HG11 VAL 2 HG11 VAL 2 21.723 -5.199 25.793 16 HG12 VAL 2 HG12 VAL 2 20.839 -6.682 25.437 17 HG13 VAL 2 HG13 VAL 2 20.105 -5.117 25.096 18 HG21 VAL 2 HG21 VAL 2 23.636 -5.924 24.426 19 HG22 VAL 2 HG22 VAL 2 23.418 -6.366 22.733 20 HG23 VAL 2 HG23 VAL 2 22.840 -7.440 24.008 21 H SER 3 H SER 3 18.403 -7.220 22.077 22 HA SER 3 HA SER 3 16.928 -4.836 22.625 23 HB2 SER 3 HB2 SER 3 16.039 -4.825 20.258 24 HB3 SER 3 HB3 SER 3 17.726 -4.330 20.392 25 HG SER 3 HG SER 3 16.618 -6.425 19.090 26 H VAL 4 H VAL 4 14.557 -5.488 21.669 27 HA VAL 4 HA VAL 4 14.029 -8.142 22.737 28 HB VAL 4 HB VAL 4 12.095 -5.934 21.925 29 HG11 VAL 4 HG11 VAL 4 11.130 -8.164 21.772 30 HG12 VAL 4 HG12 VAL 4 10.387 -7.240 23.082 31 HG13 VAL 4 HG13 VAL 4 11.583 -8.491 23.444 32 HG21 VAL 4 HG21 VAL 4 13.423 -5.265 23.860 33 HG22 VAL 4 HG22 VAL 4 13.006 -6.769 24.682 34 HG23 VAL 4 HG23 VAL 4 11.752 -5.579 24.333 35 H LYS 5 H LYS 5 13.393 -9.746 21.400 36 HA LYS 5 HA LYS 5 13.549 -9.189 18.565 37 HB2 LYS 5 HB2 LYS 5 13.687 -11.552 18.212 38 HB3 LYS 5 HB3 LYS 5 14.651 -11.238 19.648 39 HG2 LYS 5 HG2 LYS 5 12.912 -12.052 21.076 40 HG3 LYS 5 HG3 LYS 5 11.791 -12.158 19.724 41 HD2 LYS 5 HD2 LYS 5 13.422 -13.820 18.703 42 HD3 LYS 5 HD3 LYS 5 14.206 -13.858 20.286 43 HE2 LYS 5 HE2 LYS 5 12.602 -15.668 20.131 44 HE3 LYS 5 HE3 LYS 5 12.051 -14.476 21.309 45 HZ1 LYS 5 HZ1 LYS 5 10.571 -13.539 19.556 46 HZ2 LYS 5 HZ2 LYS 5 10.212 -15.144 19.902 47 HZ3 LYS 5 HZ3 LYS 5 11.075 -14.753 18.510 48 HA PRO 6 HA PRO 6 9.162 -9.134 17.856 49 HB2 PRO 6 HB2 PRO 6 9.507 -11.131 15.689 50 HB3 PRO 6 HB3 PRO 6 8.830 -9.491 15.605 51 HG2 PRO 6 HG2 PRO 6 11.205 -9.995 14.587 52 HG3 PRO 6 HG3 PRO 6 10.880 -8.478 15.453 53 HD2 PRO 6 HD2 PRO 6 12.347 -10.895 16.398 54 HD3 PRO 6 HD3 PRO 6 12.702 -9.174 16.661 55 H LEU 7 H LEU 7 7.385 -10.183 18.405 56 HA LEU 7 HA LEU 7 7.505 -13.011 19.077 57 HB2 LEU 7 HB2 LEU 7 5.631 -12.455 20.709 58 HB3 LEU 7 HB3 LEU 7 7.182 -11.774 21.119 59 HG LEU 7 HG LEU 7 6.310 -9.582 20.131 60 HD11 LEU 7 HD11 LEU 7 3.891 -9.265 20.090 61 HD12 LEU 7 HD12 LEU 7 3.660 -10.990 20.370 62 HD13 LEU 7 HD13 LEU 7 4.414 -10.435 18.876 63 HD21 LEU 7 HD21 LEU 7 4.991 -10.728 22.584 64 HD22 LEU 7 HD22 LEU 7 5.103 -9.015 22.185 65 HD23 LEU 7 HD23 LEU 7 6.567 -9.939 22.511 66 HA PRO 8 HA PRO 8 4.466 -13.661 15.940 67 HB2 PRO 8 HB2 PRO 8 2.461 -15.111 17.168 68 HB3 PRO 8 HB3 PRO 8 3.986 -15.821 16.600 69 HG2 PRO 8 HG2 PRO 8 3.216 -15.002 19.347 70 HG3 PRO 8 HG3 PRO 8 4.152 -16.411 18.808 71 HD2 PRO 8 HD2 PRO 8 5.357 -14.280 19.878 72 HD3 PRO 8 HD3 PRO 8 6.099 -15.212 18.567 73 H ASP 9 H ASP 9 3.748 -11.574 15.547 74 HA ASP 9 HA ASP 9 1.458 -10.528 16.981 75 HB2 ASP 9 HB2 ASP 9 1.846 -8.532 15.596 76 HB3 ASP 9 HB3 ASP 9 3.356 -9.041 16.344 77 H ILE 10 H ILE 10 2.430 -11.845 13.934 78 HA ILE 10 HA ILE 10 -0.172 -11.632 12.724 79 HB ILE 10 HB ILE 10 2.260 -13.222 11.804 80 HG12 ILE 10 HG12 ILE 10 1.335 -10.462 10.956 81 HG13 ILE 10 HG13 ILE 10 2.708 -10.788 12.002 82 HG21 ILE 10 HG21 ILE 10 -0.195 -12.342 10.268 83 HG22 ILE 10 HG22 ILE 10 0.154 -13.987 10.786 84 HG23 ILE 10 HG23 ILE 10 1.190 -13.202 9.590 85 HD11 ILE 10 HD11 ILE 10 3.424 -10.290 9.735 86 HD12 ILE 10 HD12 ILE 10 2.441 -11.617 9.117 87 HD13 ILE 10 HD13 ILE 10 3.824 -11.955 10.158 88 H ASP 11 H ASP 11 -1.641 -13.275 12.508 89 HA ASP 11 HA ASP 11 -1.638 -15.320 14.484 90 HB2 ASP 11 HB2 ASP 11 -3.712 -14.172 13.651 91 HB3 ASP 11 HB3 ASP 11 -3.507 -14.996 12.113 92 H SER 12 H SER 12 -2.175 -17.635 13.782 93 HA SER 12 HA SER 12 0.082 -18.477 12.187 94 HB2 SER 12 HB2 SER 12 -0.304 -19.503 14.401 95 HB3 SER 12 HB3 SER 12 -1.857 -20.112 13.838 96 HG SER 12 HG SER 12 -0.216 -20.927 12.059 97 H ASN 13 H ASN 13 -3.362 -18.113 11.812 98 HA ASN 13 HA ASN 13 -3.339 -20.035 9.647 99 HB2 ASN 13 HB2 ASN 13 -5.281 -20.114 11.149 100 HB3 ASN 13 HB3 ASN 13 -5.670 -18.448 10.746 101 HD21 ASN 13 HD21 ASN 13 -4.555 -20.807 8.335 102 HD22 ASN 13 HD22 ASN 13 -6.068 -20.879 7.504 103 H GLU 14 H GLU 14 -2.019 -19.048 8.268 104 HA GLU 14 HA GLU 14 -3.181 -16.791 6.811 105 HB2 GLU 14 HB2 GLU 14 -0.927 -16.310 7.729 106 HB3 GLU 14 HB3 GLU 14 -0.295 -17.762 6.976 107 HG2 GLU 14 HG2 GLU 14 0.334 -15.695 5.790 108 HG3 GLU 14 HG3 GLU 14 -0.588 -16.804 4.781 109 H GLY 15 H GLY 15 -3.007 -17.028 4.466 110 HA2 GLY 15 HA2 GLY 15 -2.457 -19.586 3.325 111 HA3 GLY 15 HA3 GLY 15 -4.190 -19.303 3.496 112 H GLU 16 H GLU 16 -5.177 -18.229 1.910 113 HA GLU 16 HA GLU 16 -3.420 -16.776 0.091 114 HB2 GLU 16 HB2 GLU 16 -6.266 -17.693 -0.410 115 HB3 GLU 16 HB3 GLU 16 -5.193 -16.954 -1.576 116 HG2 GLU 16 HG2 GLU 16 -5.303 -19.264 -2.093 117 HG3 GLU 16 HG3 GLU 16 -3.723 -18.992 -1.367 118 H THR 17 H THR 17 -3.299 -14.827 1.080 119 HA THR 17 HA THR 17 -5.770 -13.329 1.436 120 HB THR 17 HB THR 17 -3.880 -11.723 2.418 121 HG1 THR 17 HG1 THR 17 -2.630 -13.934 3.400 122 HG21 THR 17 HG21 THR 17 -4.278 -12.737 4.637 123 HG22 THR 17 HG22 THR 17 -4.913 -14.186 3.857 124 HG23 THR 17 HG23 THR 17 -5.772 -12.653 3.704 125 H ASP 18 H ASP 18 -3.759 -14.088 -0.857 126 HA ASP 18 HA ASP 18 -2.432 -11.939 -1.983 127 HB2 ASP 18 HB2 ASP 18 -2.190 -14.225 -2.771 128 HB3 ASP 18 HB3 ASP 18 -3.838 -14.221 -3.375 129 H ALA 19 H ALA 19 -5.797 -12.737 -2.162 130 HA ALA 19 HA ALA 19 -6.576 -11.307 -4.417 131 HB1 ALA 19 HB1 ALA 19 -7.995 -12.967 -3.306 132 HB2 ALA 19 HB2 ALA 19 -8.845 -11.449 -3.594 133 HB3 ALA 19 HB3 ALA 19 -8.256 -11.838 -1.978 134 H ASP 20 H ASP 20 -6.071 -10.134 -1.142 135 HA ASP 20 HA ASP 20 -6.357 -7.479 -2.301 136 HB2 ASP 20 HB2 ASP 20 -7.526 -6.589 -0.417 137 HB3 ASP 20 HB3 ASP 20 -8.396 -8.026 -0.920 138 H VAL 21 H VAL 21 -4.125 -9.447 -1.425 139 HA VAL 21 HA VAL 21 -2.469 -7.395 -0.150 140 HB VAL 21 HB VAL 21 -2.676 -10.171 1.029 141 HG11 VAL 21 HG11 VAL 21 -1.031 -7.820 1.931 142 HG12 VAL 21 HG12 VAL 21 -0.438 -9.312 1.195 143 HG13 VAL 21 HG13 VAL 21 -1.180 -9.353 2.795 144 HG21 VAL 21 HG21 VAL 21 -4.615 -8.886 1.667 145 HG22 VAL 21 HG22 VAL 21 -3.593 -7.571 2.257 146 HG23 VAL 21 HG23 VAL 21 -3.574 -9.142 3.070 147 H TYR 22 H TYR 22 -0.777 -7.270 -1.420 148 HA TYR 22 HA TYR 22 0.414 -9.749 -2.452 149 HB2 TYR 22 HB2 TYR 22 0.328 -7.017 -3.701 150 HB3 TYR 22 HB3 TYR 22 1.487 -8.240 -4.214 151 HD1 TYR 22 HD2 TYR 22 -2.065 -7.305 -4.142 152 HD2 TYR 22 HD1 TYR 22 0.793 -10.184 -5.403 153 HE1 TYR 22 HE2 TYR 22 -3.750 -8.334 -5.614 154 HE2 TYR 22 HE1 TYR 22 -0.870 -11.211 -6.870 155 HH TYR 22 HH TYR 22 -3.369 -11.335 -6.815 156 H GLU 23 H GLU 23 2.810 -9.684 -2.772 157 HA GLU 23 HA GLU 23 3.998 -8.815 -0.368 158 HB2 GLU 23 HB2 GLU 23 4.954 -10.275 -2.719 159 HB3 GLU 23 HB3 GLU 23 6.136 -9.566 -1.595 160 HG2 GLU 23 HG2 GLU 23 5.279 -10.769 0.159 161 HG3 GLU 23 HG3 GLU 23 3.973 -11.436 -0.831 162 H VAL 24 H VAL 24 5.455 -7.514 -0.000 163 HA VAL 24 HA VAL 24 5.893 -5.318 -1.911 164 HB VAL 24 HB VAL 24 6.139 -5.282 1.119 165 HG11 VAL 24 HG11 VAL 24 6.694 -3.082 -0.874 166 HG12 VAL 24 HG12 VAL 24 7.902 -3.899 0.131 167 HG13 VAL 24 HG13 VAL 24 6.643 -2.905 0.881 168 HG21 VAL 24 HG21 VAL 24 4.341 -3.836 -0.791 169 HG22 VAL 24 HG22 VAL 24 4.393 -3.618 0.958 170 HG23 VAL 24 HG23 VAL 24 3.886 -5.164 0.277 171 H GLU 25 H GLU 25 7.647 -5.523 -2.996 172 HA GLU 25 HA GLU 25 9.871 -7.088 -2.156 173 HB2 GLU 25 HB2 GLU 25 8.886 -6.466 -4.547 174 HB3 GLU 25 HB3 GLU 25 9.907 -5.058 -4.375 175 HG2 GLU 25 HG2 GLU 25 11.879 -6.400 -4.339 176 HG3 GLU 25 HG3 GLU 25 10.927 -7.884 -4.231 177 H ASP 26 H ASP 26 9.369 -3.588 -2.850 178 HA ASP 26 HA ASP 26 10.134 -2.630 -0.409 179 HB2 ASP 26 HB2 ASP 26 12.508 -3.410 -1.300 180 HB3 ASP 26 HB3 ASP 26 12.401 -1.969 -2.312 181 H ILE 27 H ILE 27 10.978 -0.108 -0.895 182 HA ILE 27 HA ILE 27 8.635 0.944 -2.337 183 HB ILE 27 HB ILE 27 10.516 2.498 -0.512 184 HG12 ILE 27 HG12 ILE 27 9.658 0.607 0.818 185 HG13 ILE 27 HG13 ILE 27 8.990 2.133 1.371 186 HG21 ILE 27 HG21 ILE 27 8.581 3.985 -0.216 187 HG22 ILE 27 HG22 ILE 27 7.649 2.982 -1.326 188 HG23 ILE 27 HG23 ILE 27 9.062 3.851 -1.906 189 HD11 ILE 27 HD11 ILE 27 7.334 0.371 1.392 190 HD12 ILE 27 HD12 ILE 27 7.579 0.087 -0.333 191 HD13 ILE 27 HD13 ILE 27 6.896 1.618 0.224 192 H LEU 28 H LEU 28 9.001 2.414 -4.010 193 HA LEU 28 HA LEU 28 11.794 2.608 -4.916 194 HB2 LEU 28 HB2 LEU 28 9.281 3.059 -6.527 195 HB3 LEU 28 HB3 LEU 28 10.916 3.121 -7.136 196 HG LEU 28 HG LEU 28 9.530 0.674 -6.059 197 HD11 LEU 28 HD11 LEU 28 8.659 1.385 -8.208 198 HD12 LEU 28 HD12 LEU 28 9.605 -0.093 -8.376 199 HD13 LEU 28 HD13 LEU 28 10.296 1.457 -8.862 200 HD21 LEU 28 HD21 LEU 28 11.928 0.587 -5.610 201 HD22 LEU 28 HD22 LEU 28 12.271 0.993 -7.290 202 HD23 LEU 28 HD23 LEU 28 11.503 -0.544 -6.894 203 H ALA 29 H ALA 29 9.110 4.557 -3.899 204 HA ALA 29 HA ALA 29 10.650 6.878 -3.569 205 HB1 ALA 29 HB1 ALA 29 9.560 8.341 -5.231 206 HB2 ALA 29 HB2 ALA 29 8.717 6.948 -5.908 207 HB3 ALA 29 HB3 ALA 29 10.474 7.057 -6.026 208 H ASP 30 H ASP 30 8.916 8.811 -3.259 209 HA ASP 30 HA ASP 30 6.466 7.768 -2.128 210 HB2 ASP 30 HB2 ASP 30 6.751 9.138 -0.067 211 HB3 ASP 30 HB3 ASP 30 7.950 7.861 -0.202 212 H ARG 31 H ARG 31 4.969 9.586 -1.544 213 HA ARG 31 HA ARG 31 5.452 12.155 -2.766 214 HB2 ARG 31 HB2 ARG 31 4.713 10.430 -4.607 215 HB3 ARG 31 HB3 ARG 31 3.143 10.535 -3.833 216 HG2 ARG 31 HG2 ARG 31 3.257 13.030 -4.213 217 HG3 ARG 31 HG3 ARG 31 4.670 12.722 -5.224 218 HD2 ARG 31 HD2 ARG 31 2.951 12.723 -6.786 219 HD3 ARG 31 HD3 ARG 31 3.115 11.008 -6.417 220 HE ARG 31 HE ARG 31 1.001 12.795 -5.443 221 HH11 ARG 31 HH11 ARG 31 2.099 9.395 -5.923 222 HH12 ARG 31 HH12 ARG 31 0.533 8.811 -5.514 223 HH21 ARG 31 HH21 ARG 31 -1.146 11.773 -5.006 224 HH22 ARG 31 HH22 ARG 31 -1.192 10.100 -5.003 225 H VAL 32 H VAL 32 3.580 13.559 -2.253 226 HA VAL 32 HA VAL 32 1.685 12.460 -0.327 227 HB VAL 32 HB VAL 32 3.127 15.135 -0.041 228 HG11 VAL 32 HG11 VAL 32 2.044 15.274 2.158 229 HG12 VAL 32 HG12 VAL 32 1.190 13.766 1.823 230 HG13 VAL 32 HG13 VAL 32 0.865 15.198 0.847 231 HG21 VAL 32 HG21 VAL 32 4.666 13.318 0.491 232 HG22 VAL 32 HG22 VAL 32 3.491 12.626 1.606 233 HG23 VAL 32 HG23 VAL 32 4.221 14.191 1.957 234 H ASN 33 H ASN 33 -0.336 13.308 -0.621 235 HA ASN 33 HA ASN 33 -0.750 14.903 -3.045 236 HB2 ASN 33 HB2 ASN 33 -2.753 13.689 -1.125 237 HB3 ASN 33 HB3 ASN 33 -3.174 14.570 -2.581 238 HD21 ASN 33 HD21 ASN 33 -2.016 11.596 -1.246 239 HD22 ASN 33 HD22 ASN 33 -2.173 10.667 -2.677 240 H LYS 34 H LYS 34 -2.605 16.581 -2.778 241 HA LYS 34 HA LYS 34 -1.832 18.396 -0.642 242 HB2 LYS 34 HB2 LYS 34 -2.135 19.297 -2.921 243 HB3 LYS 34 HB3 LYS 34 -3.797 18.730 -2.939 244 HG2 LYS 34 HG2 LYS 34 -4.350 20.279 -1.133 245 HG3 LYS 34 HG3 LYS 34 -2.679 20.833 -1.091 246 HD2 LYS 34 HD2 LYS 34 -2.877 21.681 -3.361 247 HD3 LYS 34 HD3 LYS 34 -4.527 21.059 -3.468 248 HE2 LYS 34 HE2 LYS 34 -4.487 23.473 -2.987 249 HE3 LYS 34 HE3 LYS 34 -5.235 22.551 -1.686 250 HZ1 LYS 34 HZ1 LYS 34 -3.738 24.239 -0.834 251 HZ2 LYS 34 HZ2 LYS 34 -2.437 23.566 -1.685 252 HZ3 LYS 34 HZ3 LYS 34 -3.181 22.694 -0.439 253 H ASN 35 H ASN 35 -4.228 16.164 -1.469 254 HA ASN 35 HA ASN 35 -6.370 17.027 0.159 255 HB2 ASN 35 HB2 ASN 35 -5.744 14.279 -0.920 256 HB3 ASN 35 HB3 ASN 35 -7.279 14.773 -0.217 257 HD21 ASN 35 HD21 ASN 35 -8.667 16.046 -1.420 258 HD22 ASN 35 HD22 ASN 35 -8.399 16.343 -3.102 259 H GLY 36 H GLY 36 -3.414 15.415 0.898 260 HA2 GLY 36 HA2 GLY 36 -2.764 15.324 3.217 261 HA3 GLY 36 HA3 GLY 36 -4.442 15.000 3.622 262 H ILE 37 H ILE 37 -3.063 13.306 0.933 263 HA ILE 37 HA ILE 37 -2.942 10.901 2.619 264 HB ILE 37 HB ILE 37 -3.544 11.116 -0.361 265 HG12 ILE 37 HG12 ILE 37 -5.695 9.834 0.461 266 HG13 ILE 37 HG13 ILE 37 -5.219 10.554 1.999 267 HG21 ILE 37 HG21 ILE 37 -2.245 9.156 0.044 268 HG22 ILE 37 HG22 ILE 37 -3.914 8.731 -0.362 269 HG23 ILE 37 HG23 ILE 37 -3.360 8.646 1.318 270 HD11 ILE 37 HD11 ILE 37 -5.407 12.762 1.068 271 HD12 ILE 37 HD12 ILE 37 -6.916 11.868 0.844 272 HD13 ILE 37 HD13 ILE 37 -5.794 12.070 -0.507 273 H ASN 38 H ASN 38 -1.028 9.876 2.708 274 HA ASN 38 HA ASN 38 1.179 10.818 1.033 275 HB2 ASN 38 HB2 ASN 38 1.192 8.815 3.325 276 HB3 ASN 38 HB3 ASN 38 2.605 9.480 2.527 277 HD21 ASN 38 HD21 ASN 38 1.873 9.512 5.351 278 HD22 ASN 38 HD22 ASN 38 1.788 11.189 5.769 279 H GLU 39 H GLU 39 2.248 9.385 -0.359 280 HA GLU 39 HA GLU 39 1.126 6.716 -0.693 281 HB2 GLU 39 HB2 GLU 39 1.302 8.832 -2.813 282 HB3 GLU 39 HB3 GLU 39 1.209 7.116 -3.181 283 HG2 GLU 39 HG2 GLU 39 -0.916 6.959 -2.091 284 HG3 GLU 39 HG3 GLU 39 -0.773 8.654 -1.590 285 H TYR 40 H TYR 40 2.499 5.298 -1.682 286 HA TYR 40 HA TYR 40 5.240 6.287 -2.087 287 HB2 TYR 40 HB2 TYR 40 4.545 3.731 -0.631 288 HB3 TYR 40 HB3 TYR 40 6.139 4.463 -0.813 289 HD1 TYR 40 HD1 TYR 40 6.722 6.473 0.429 290 HD2 TYR 40 HD2 TYR 40 2.990 4.553 0.975 291 HE1 TYR 40 HE1 TYR 40 6.350 7.793 2.463 292 HE2 TYR 40 HE2 TYR 40 2.597 5.871 3.004 293 HH TYR 40 HH TYR 40 3.611 7.080 4.510 294 H TYR 41 H TYR 41 6.398 5.106 -3.526 295 HA TYR 41 HA TYR 41 4.843 3.706 -5.513 296 HB2 TYR 41 HB2 TYR 41 6.845 5.374 -5.830 297 HB3 TYR 41 HB3 TYR 41 7.839 3.965 -5.513 298 HD1 TYR 41 HD1 TYR 41 5.804 2.054 -7.041 299 HD2 TYR 41 HD2 TYR 41 7.727 5.715 -8.026 300 HE1 TYR 41 HE1 TYR 41 5.637 1.505 -9.424 301 HE2 TYR 41 HE2 TYR 41 7.553 5.172 -10.412 302 HH TYR 41 HH TYR 41 5.631 2.582 -11.557 303 H ILE 42 H ILE 42 4.311 1.664 -4.922 304 HA ILE 42 HA ILE 42 6.163 0.140 -3.268 305 HB ILE 42 HB ILE 42 3.358 -0.591 -4.139 306 HG12 ILE 42 HG12 ILE 42 3.258 1.480 -2.827 307 HG13 ILE 42 HG13 ILE 42 2.588 0.129 -1.924 308 HG21 ILE 42 HG21 ILE 42 4.703 -2.485 -3.430 309 HG22 ILE 42 HG22 ILE 42 3.432 -2.156 -2.254 310 HG23 ILE 42 HG23 ILE 42 5.092 -1.666 -1.916 311 HD11 ILE 42 HD11 ILE 42 4.664 -0.016 -0.642 312 HD12 ILE 42 HD12 ILE 42 3.896 1.565 -0.499 313 HD13 ILE 42 HD13 ILE 42 5.306 1.360 -1.540 314 H LYS 43 H LYS 43 7.418 -1.343 -4.180 315 HA LYS 43 HA LYS 43 6.741 -2.260 -6.830 316 HB2 LYS 43 HB2 LYS 43 9.139 -1.426 -6.210 317 HB3 LYS 43 HB3 LYS 43 9.303 -2.946 -5.348 318 HG2 LYS 43 HG2 LYS 43 8.788 -2.650 -8.327 319 HG3 LYS 43 HG3 LYS 43 10.325 -3.068 -7.578 320 HD2 LYS 43 HD2 LYS 43 9.420 -5.128 -6.745 321 HD3 LYS 43 HD3 LYS 43 7.807 -4.681 -7.276 322 HE2 LYS 43 HE2 LYS 43 8.547 -4.817 -9.598 323 HE3 LYS 43 HE3 LYS 43 10.172 -5.254 -9.051 324 HZ1 LYS 43 HZ1 LYS 43 8.835 -7.242 -9.603 325 HZ2 LYS 43 HZ2 LYS 43 7.721 -6.782 -8.395 326 HZ3 LYS 43 HZ3 LYS 43 9.303 -7.165 -7.971 327 H TRP 44 H TRP 44 5.352 -3.863 -6.781 328 HA TRP 44 HA TRP 44 5.090 -5.544 -4.519 329 HB2 TRP 44 HB2 TRP 44 3.757 -5.761 -7.211 330 HB3 TRP 44 HB3 TRP 44 3.297 -6.577 -5.728 331 HD1 TRP 44 HD1 TRP 44 2.850 -3.341 -7.579 332 HE1 TRP 44 HE1 TRP 44 1.288 -1.818 -6.203 333 HE3 TRP 44 HE3 TRP 44 2.740 -5.986 -3.238 334 HZ2 TRP 44 HZ2 TRP 44 0.189 -1.762 -3.689 335 HZ3 TRP 44 HZ3 TRP 44 1.408 -5.127 -1.377 336 HH2 TRP 44 HH2 TRP 44 0.153 -3.047 -1.589 337 H ALA 45 H ALA 45 5.984 -7.369 -4.168 338 HA ALA 45 HA ALA 45 7.552 -8.705 -6.229 339 HB1 ALA 45 HB1 ALA 45 8.230 -10.201 -4.383 340 HB2 ALA 45 HB2 ALA 45 7.111 -9.358 -3.317 341 HB3 ALA 45 HB3 ALA 45 8.520 -8.507 -3.957 342 H GLY 46 H GLY 46 7.073 -10.960 -6.674 343 HA2 GLY 46 HA2 GLY 46 5.659 -12.848 -6.676 344 HA3 GLY 46 HA3 GLY 46 4.444 -11.906 -5.821 345 H TYR 47 H TYR 47 4.802 -9.658 -7.796 346 HA TYR 47 HA TYR 47 3.180 -10.892 -9.903 347 HB2 TYR 47 HB2 TYR 47 2.469 -8.657 -8.470 348 HB3 TYR 47 HB3 TYR 47 3.323 -7.926 -9.845 349 HD1 TYR 47 HD1 TYR 47 1.262 -10.749 -9.722 350 HD2 TYR 47 HD2 TYR 47 1.748 -7.026 -11.199 351 HE1 TYR 47 HE1 TYR 47 -0.822 -11.110 -11.133 352 HE2 TYR 47 HE2 TYR 47 -0.224 -7.224 -12.644 353 HH TYR 47 HH TYR 47 -1.558 -9.056 -13.696 354 H ASP 48 H ASP 48 3.328 -9.451 -11.812 355 HA ASP 48 HA ASP 48 5.847 -9.858 -13.048 356 HB2 ASP 48 HB2 ASP 48 3.924 -9.625 -14.477 357 HB3 ASP 48 HB3 ASP 48 3.638 -7.972 -13.909 358 H TRP 49 H TRP 49 7.423 -8.436 -13.724 359 HA TRP 49 HA TRP 49 8.391 -6.850 -11.593 360 HB2 TRP 49 HB2 TRP 49 9.418 -7.114 -14.412 361 HB3 TRP 49 HB3 TRP 49 10.301 -6.387 -13.073 362 HD1 TRP 49 HD1 TRP 49 9.193 -9.767 -14.451 363 HE1 TRP 49 HE1 TRP 49 10.439 -11.627 -13.195 364 HE3 TRP 49 HE3 TRP 49 11.401 -6.941 -10.804 365 HZ2 TRP 49 HZ2 TRP 49 12.139 -11.872 -10.947 366 HZ3 TRP 49 HZ3 TRP 49 12.817 -8.067 -9.135 367 HH2 TRP 49 HH2 TRP 49 13.177 -10.483 -9.208 368 H TYR 50 H TYR 50 6.470 -6.010 -14.359 369 HA TYR 50 HA TYR 50 7.183 -3.192 -14.128 370 HB2 TYR 50 HB2 TYR 50 5.496 -4.639 -16.182 371 HB3 TYR 50 HB3 TYR 50 5.948 -2.941 -16.237 372 HD1 TYR 50 HD1 TYR 50 8.286 -2.301 -16.740 373 HD2 TYR 50 HD2 TYR 50 7.041 -6.368 -16.807 374 HE1 TYR 50 HE1 TYR 50 10.319 -2.902 -17.992 375 HE2 TYR 50 HE2 TYR 50 9.067 -6.977 -18.052 376 HH TYR 50 HH TYR 50 10.698 -5.943 -19.483 377 H ASP 51 H ASP 51 5.438 -4.799 -12.169 378 HA ASP 51 HA ASP 51 2.770 -3.797 -12.721 379 HB2 ASP 51 HB2 ASP 51 2.006 -5.231 -11.187 380 HB3 ASP 51 HB3 ASP 51 3.397 -6.179 -11.745 381 H ASN 52 H ASN 52 5.436 -2.929 -10.895 382 HA ASN 52 HA ASN 52 4.470 -2.016 -8.506 383 HB2 ASN 52 HB2 ASN 52 6.435 -0.426 -8.459 384 HB3 ASN 52 HB3 ASN 52 6.791 -2.112 -8.778 385 HD21 ASN 52 HD21 ASN 52 5.556 -0.067 -11.359 386 HD22 ASN 52 HD22 ASN 52 7.061 0.023 -12.210 387 H THR 53 H THR 53 3.580 -0.232 -7.644 388 HA THR 53 HA THR 53 2.876 1.995 -9.311 389 HB THR 53 HB THR 53 1.129 0.384 -9.944 390 HG1 THR 53 HG1 THR 53 -0.513 1.871 -8.386 391 HG21 THR 53 HG21 THR 53 0.439 0.243 -6.989 392 HG22 THR 53 HG22 THR 53 1.109 -1.071 -7.957 393 HG23 THR 53 HG23 THR 53 -0.508 -0.484 -8.284 394 H TRP 54 H TRP 54 1.308 3.412 -7.908 395 HA TRP 54 HA TRP 54 2.655 3.804 -5.355 396 HB2 TRP 54 HB2 TRP 54 0.604 5.537 -6.753 397 HB3 TRP 54 HB3 TRP 54 1.496 5.967 -5.304 398 HD1 TRP 54 HD1 TRP 54 1.990 5.445 -9.072 399 HE1 TRP 54 HE1 TRP 54 4.090 6.704 -9.807 400 HE3 TRP 54 HE3 TRP 54 3.722 6.915 -4.472 401 HZ2 TRP 54 HZ2 TRP 54 6.201 8.157 -8.615 402 HZ3 TRP 54 HZ3 TRP 54 5.772 8.238 -4.376 403 HH2 TRP 54 HH2 TRP 54 6.993 8.845 -6.397 404 H GLU 55 H GLU 55 1.696 3.620 -3.415 405 HA GLU 55 HA GLU 55 -1.193 3.055 -3.270 406 HB2 GLU 55 HB2 GLU 55 1.074 1.669 -1.844 407 HB3 GLU 55 HB3 GLU 55 -0.593 1.574 -1.320 408 HG2 GLU 55 HG2 GLU 55 0.446 0.620 -3.972 409 HG3 GLU 55 HG3 GLU 55 0.161 -0.344 -2.514 410 HA PRO 56 HA PRO 56 -0.872 6.139 -0.072 411 HB2 PRO 56 HB2 PRO 56 -3.110 5.605 1.342 412 HB3 PRO 56 HB3 PRO 56 -3.170 6.332 -0.281 413 HG2 PRO 56 HG2 PRO 56 -3.635 3.506 0.517 414 HG3 PRO 56 HG3 PRO 56 -4.506 4.505 -0.664 415 HD2 PRO 56 HD2 PRO 56 -2.625 2.680 -1.380 416 HD3 PRO 56 HD3 PRO 56 -2.976 4.148 -2.314 417 H GLU 57 H GLU 57 -0.863 6.357 2.290 418 HA GLU 57 HA GLU 57 1.030 4.785 3.615 419 HB2 GLU 57 HB2 GLU 57 0.209 7.136 4.153 420 HB3 GLU 57 HB3 GLU 57 -1.184 6.402 4.911 421 HG2 GLU 57 HG2 GLU 57 0.104 6.796 6.747 422 HG3 GLU 57 HG3 GLU 57 0.664 5.176 6.344 423 H GLN 58 H GLN 58 -2.411 4.489 3.395 424 HA GLN 58 HA GLN 58 -3.168 2.847 5.523 425 HB2 GLN 58 HB2 GLN 58 -4.282 2.971 2.736 426 HB3 GLN 58 HB3 GLN 58 -5.108 2.352 4.161 427 HG2 GLN 58 HG2 GLN 58 -5.173 4.519 5.151 428 HG3 GLN 58 HG3 GLN 58 -4.137 5.183 3.889 429 HE21 GLN 58 HE21 GLN 58 -7.302 4.073 4.684 430 HE22 GLN 58 HE22 GLN 58 -8.073 4.725 3.273 431 H ASN 59 H ASN 59 -1.475 2.080 2.645 432 HA ASN 59 HA ASN 59 -2.175 -0.723 2.725 433 HB2 ASN 59 HB2 ASN 59 -0.818 1.087 0.870 434 HB3 ASN 59 HB3 ASN 59 -0.349 -0.610 0.817 435 HD21 ASN 59 HD21 ASN 59 -3.229 1.480 0.853 436 HD22 ASN 59 HD22 ASN 59 -4.071 0.487 -0.275 437 H LEU 60 H LEU 60 0.158 1.173 4.227 438 HA LEU 60 HA LEU 60 2.229 -0.819 3.874 439 HB2 LEU 60 HB2 LEU 60 2.242 1.932 5.067 440 HB3 LEU 60 HB3 LEU 60 3.587 0.831 5.259 441 HG LEU 60 HG LEU 60 4.046 2.432 3.504 442 HD11 LEU 60 HD11 LEU 60 4.998 0.233 3.269 443 HD12 LEU 60 HD12 LEU 60 4.658 0.961 1.705 444 HD13 LEU 60 HD13 LEU 60 3.595 -0.294 2.334 445 HD21 LEU 60 HD21 LEU 60 1.608 1.351 2.100 446 HD22 LEU 60 HD22 LEU 60 2.788 2.445 1.388 447 HD23 LEU 60 HD23 LEU 60 1.802 2.978 2.753 448 H PHE 61 H PHE 61 -0.222 -1.093 5.611 449 HA PHE 61 HA PHE 61 0.409 -1.219 8.321 450 HB2 PHE 61 HB2 PHE 61 -1.506 -2.648 8.599 451 HB3 PHE 61 HB3 PHE 61 -1.883 -1.551 7.278 452 HD1 PHE 61 HD1 PHE 61 -1.391 -2.494 4.862 453 HD2 PHE 61 HD2 PHE 61 -1.883 -4.910 8.335 454 HE1 PHE 61 HE1 PHE 61 -1.898 -4.431 3.444 455 HE2 PHE 61 HE2 PHE 61 -2.390 -6.849 6.916 456 HZ PHE 61 HZ PHE 61 -2.400 -6.613 4.466 457 H GLY 62 H GLY 62 1.190 -3.519 5.770 458 HA2 GLY 62 HA2 GLY 62 2.369 -5.360 7.741 459 HA3 GLY 62 HA3 GLY 62 1.992 -5.762 6.072 460 H ALA 63 H ALA 63 3.168 -3.127 5.310 461 HA ALA 63 HA ALA 63 5.979 -3.964 5.180 462 HB1 ALA 63 HB1 ALA 63 4.421 -1.976 3.541 463 HB2 ALA 63 HB2 ALA 63 4.781 -3.639 3.068 464 HB3 ALA 63 HB3 ALA 63 6.093 -2.477 3.278 465 H GLU 64 H GLU 64 4.798 -2.751 7.532 466 HA GLU 64 HA GLU 64 5.419 -0.057 7.576 467 HB2 GLU 64 HB2 GLU 64 5.230 -0.190 10.010 468 HB3 GLU 64 HB3 GLU 64 3.901 -0.969 9.172 469 HG2 GLU 64 HG2 GLU 64 4.206 -2.596 10.522 470 HG3 GLU 64 HG3 GLU 64 5.639 -3.036 9.593 471 H LYS 65 H LYS 65 7.321 -2.856 8.318 472 HA LYS 65 HA LYS 65 9.575 -1.626 9.430 473 HB2 LYS 65 HB2 LYS 65 9.179 -4.028 9.557 474 HB3 LYS 65 HB3 LYS 65 9.358 -4.172 7.819 475 HG2 LYS 65 HG2 LYS 65 11.713 -3.506 8.018 476 HG3 LYS 65 HG3 LYS 65 11.522 -3.395 9.770 477 HD2 LYS 65 HD2 LYS 65 10.947 -5.768 9.867 478 HD3 LYS 65 HD3 LYS 65 11.091 -5.884 8.114 479 HE2 LYS 65 HE2 LYS 65 13.095 -6.737 9.208 480 HE3 LYS 65 HE3 LYS 65 13.461 -5.289 8.273 481 HZ1 LYS 65 HZ1 LYS 65 13.410 -4.000 10.308 482 HZ2 LYS 65 HZ2 LYS 65 14.533 -5.259 10.442 483 HZ3 LYS 65 HZ3 LYS 65 13.025 -5.382 11.205 484 H VAL 66 H VAL 66 8.947 -2.567 6.062 485 HA VAL 66 HA VAL 66 11.374 -1.459 5.131 486 HB VAL 66 HB VAL 66 10.480 -1.751 2.815 487 HG11 VAL 66 HG11 VAL 66 10.357 -4.196 2.868 488 HG12 VAL 66 HG12 VAL 66 10.156 -4.136 4.620 489 HG13 VAL 66 HG13 VAL 66 11.657 -3.573 3.884 490 HG21 VAL 66 HG21 VAL 66 8.030 -2.746 4.225 491 HG22 VAL 66 HG22 VAL 66 8.357 -2.926 2.501 492 HG23 VAL 66 HG23 VAL 66 8.149 -1.317 3.200 493 H LEU 67 H LEU 67 8.186 -0.172 5.546 494 HA LEU 67 HA LEU 67 8.537 2.224 4.102 495 HB2 LEU 67 HB2 LEU 67 6.349 1.397 4.786 496 HB3 LEU 67 HB3 LEU 67 6.785 1.601 6.471 497 HG LEU 67 HG LEU 67 7.035 4.033 6.032 498 HD11 LEU 67 HD11 LEU 67 5.883 4.940 4.027 499 HD12 LEU 67 HD12 LEU 67 5.840 3.298 3.371 500 HD13 LEU 67 HD13 LEU 67 7.379 4.080 3.697 501 HD21 LEU 67 HD21 LEU 67 4.623 4.485 6.049 502 HD22 LEU 67 HD22 LEU 67 5.059 3.155 7.120 503 HD23 LEU 67 HD23 LEU 67 4.315 2.821 5.558 504 H LYS 68 H LYS 68 8.952 1.377 7.528 505 HA LYS 68 HA LYS 68 9.728 3.866 8.500 506 HB2 LYS 68 HB2 LYS 68 10.474 1.095 9.404 507 HB3 LYS 68 HB3 LYS 68 10.967 2.543 10.266 508 HG2 LYS 68 HG2 LYS 68 8.716 3.091 10.791 509 HG3 LYS 68 HG3 LYS 68 8.101 1.848 9.696 510 HD2 LYS 68 HD2 LYS 68 9.141 0.120 11.088 511 HD3 LYS 68 HD3 LYS 68 9.721 1.364 12.194 512 HE2 LYS 68 HE2 LYS 68 7.504 1.942 12.823 513 HE3 LYS 68 HE3 LYS 68 6.816 0.966 11.524 514 HZ1 LYS 68 HZ1 LYS 68 8.224 -0.143 13.942 515 HZ2 LYS 68 HZ2 LYS 68 7.704 -0.969 12.535 516 HZ3 LYS 68 HZ3 LYS 68 6.585 -0.324 13.459 517 H LYS 69 H LYS 69 11.720 1.226 7.230 518 HA LYS 69 HA LYS 69 14.118 2.661 7.593 519 HB2 LYS 69 HB2 LYS 69 15.261 0.940 6.472 520 HB3 LYS 69 HB3 LYS 69 13.911 0.157 7.269 521 HG2 LYS 69 HG2 LYS 69 13.996 -0.907 5.234 522 HG3 LYS 69 HG3 LYS 69 12.780 0.340 4.944 523 HD2 LYS 69 HD2 LYS 69 14.430 1.757 3.877 524 HD3 LYS 69 HD3 LYS 69 15.708 0.601 4.252 525 HE2 LYS 69 HE2 LYS 69 15.082 0.347 1.985 526 HE3 LYS 69 HE3 LYS 69 14.531 -1.058 2.914 527 HZ1 LYS 69 HZ1 LYS 69 12.857 -0.487 1.464 528 HZ2 LYS 69 HZ2 LYS 69 12.903 1.123 1.748 529 HZ3 LYS 69 HZ3 LYS 69 12.255 0.070 2.940 530 H TRP 70 H TRP 70 11.904 2.515 4.866 531 HA TRP 70 HA TRP 70 13.436 4.057 3.115 532 HB2 TRP 70 HB2 TRP 70 11.462 2.937 2.245 533 HB3 TRP 70 HB3 TRP 70 10.414 3.857 3.327 534 HD1 TRP 70 HD1 TRP 70 9.738 6.310 2.596 535 HE1 TRP 70 HE1 TRP 70 10.135 7.729 0.500 536 HE3 TRP 70 HE3 TRP 70 13.143 3.303 0.251 537 HZ2 TRP 70 HZ2 TRP 70 11.658 7.564 -1.868 538 HZ3 TRP 70 HZ3 TRP 70 14.015 4.008 -1.940 539 HH2 TRP 70 HH2 TRP 70 13.288 6.090 -2.976 540 H LYS 71 H LYS 71 10.762 5.183 5.208 541 HA LYS 71 HA LYS 71 11.347 7.856 4.585 542 HB2 LYS 71 HB2 LYS 71 9.497 6.749 6.693 543 HB3 LYS 71 HB3 LYS 71 9.754 8.484 6.454 544 HG2 LYS 71 HG2 LYS 71 9.060 8.174 4.076 545 HG3 LYS 71 HG3 LYS 71 8.626 6.518 4.483 546 HD2 LYS 71 HD2 LYS 71 7.455 8.930 5.879 547 HD3 LYS 71 HD3 LYS 71 6.723 8.205 4.458 548 HE2 LYS 71 HE2 LYS 71 6.600 6.049 5.752 549 HE3 LYS 71 HE3 LYS 71 7.119 6.952 7.175 550 HZ1 LYS 71 HZ1 LYS 71 5.071 8.239 7.132 551 HZ2 LYS 71 HZ2 LYS 71 4.531 6.662 6.721 552 HZ3 LYS 71 HZ3 LYS 71 4.787 7.763 5.569 553 H LYS 72 H LYS 72 12.706 5.860 6.959 554 HA LYS 72 HA LYS 72 13.746 7.979 8.547 555 HB2 LYS 72 HB2 LYS 72 13.576 5.535 9.234 556 HB3 LYS 72 HB3 LYS 72 14.945 5.227 8.186 557 HG2 LYS 72 HG2 LYS 72 15.674 5.388 10.484 558 HG3 LYS 72 HG3 LYS 72 16.316 6.745 9.554 559 HD2 LYS 72 HD2 LYS 72 14.636 8.227 10.456 560 HD3 LYS 72 HD3 LYS 72 13.824 6.881 11.259 561 HE2 LYS 72 HE2 LYS 72 16.621 7.855 11.865 562 HE3 LYS 72 HE3 LYS 72 15.183 8.247 12.804 563 HZ1 LYS 72 HZ1 LYS 72 16.424 6.434 13.808 564 HZ2 LYS 72 HZ2 LYS 72 16.284 5.509 12.399 565 HZ3 LYS 72 HZ3 LYS 72 14.905 5.895 13.294 566 H ARG 73 H ARG 73 14.926 6.143 5.731 567 HA ARG 73 HA ARG 73 17.302 7.788 5.612 568 HB2 ARG 73 HB2 ARG 73 16.397 5.584 3.766 569 HB3 ARG 73 HB3 ARG 73 17.884 6.499 3.558 570 HG2 ARG 73 HG2 ARG 73 17.212 4.784 5.959 571 HG3 ARG 73 HG3 ARG 73 18.273 4.313 4.636 572 HD2 ARG 73 HD2 ARG 73 19.594 5.047 6.570 573 HD3 ARG 73 HD3 ARG 73 19.811 6.168 5.229 574 HE ARG 73 HE ARG 73 17.729 6.922 7.030 575 HH11 ARG 73 HH11 ARG 73 21.234 7.088 6.678 576 HH12 ARG 73 HH12 ARG 73 21.402 8.623 7.392 577 HH21 ARG 73 HH21 ARG 73 17.885 9.021 7.941 578 HH22 ARG 73 HH22 ARG 73 19.396 9.785 8.162 579 H LYS 74 H LYS 74 14.216 7.873 4.225 580 HA LYS 74 HA LYS 74 14.984 10.260 2.800 581 HB2 LYS 74 HB2 LYS 74 14.849 8.808 0.969 582 HB3 LYS 74 HB3 LYS 74 13.552 7.869 1.679 583 HG2 LYS 74 HG2 LYS 74 12.836 9.158 -0.291 584 HG3 LYS 74 HG3 LYS 74 11.950 9.585 1.161 585 HD2 LYS 74 HD2 LYS 74 13.502 11.567 1.386 586 HD3 LYS 74 HD3 LYS 74 14.120 11.168 -0.221 587 HE2 LYS 74 HE2 LYS 74 12.354 12.878 -0.345 588 HE3 LYS 74 HE3 LYS 74 11.870 11.389 -1.156 589 HZ1 LYS 74 HZ1 LYS 74 10.056 12.241 0.204 590 HZ2 LYS 74 HZ2 LYS 74 11.013 12.199 1.598 591 HZ3 LYS 74 HZ3 LYS 74 10.588 10.773 0.755 592 H LYS 75 H LYS 75 14.228 11.514 4.265 593 HA LYS 75 HA LYS 75 11.369 11.453 4.807 594 HB2 LYS 75 HB2 LYS 75 12.081 13.301 6.498 595 HB3 LYS 75 HB3 LYS 75 12.410 11.619 6.885 596 HG2 LYS 75 HG2 LYS 75 14.694 11.856 6.573 597 HG3 LYS 75 HG3 LYS 75 14.508 13.245 5.507 598 HD2 LYS 75 HD2 LYS 75 13.650 13.479 8.356 599 HD3 LYS 75 HD3 LYS 75 15.372 13.534 7.979 600 HE2 LYS 75 HE2 LYS 75 14.367 15.798 8.074 601 HE3 LYS 75 HE3 LYS 75 15.035 15.420 6.494 602 HZ1 LYS 75 HZ1 LYS 75 12.831 15.007 5.660 603 HZ2 LYS 75 HZ2 LYS 75 12.870 16.535 6.307 604 HZ3 LYS 75 HZ3 LYS 75 12.129 15.263 7.162 605 H1 ALA 1 H1 ALA 1 15.403 -16.609 1.205 606 H2 ALA 1 H2 ALA 1 16.525 -15.333 1.433 607 H3 ALA 1 H3 ALA 1 14.888 -15.027 1.061 608 HA ALA 1 HA ALA 1 15.692 -16.342 3.540 609 HB1 ALA 1 HB1 ALA 1 15.042 -14.208 4.596 610 HB2 ALA 1 HB2 ALA 1 14.821 -13.491 3.000 611 HB3 ALA 1 HB3 ALA 1 16.428 -13.996 3.525 612 H ARG 2 H ARG 2 13.702 -16.336 5.010 613 HA ARG 2 HA ARG 2 11.364 -16.935 3.357 614 HB2 ARG 2 HB2 ARG 2 11.937 -17.469 6.283 615 HB3 ARG 2 HB3 ARG 2 10.434 -17.889 5.479 616 HG2 ARG 2 HG2 ARG 2 11.655 -19.411 3.999 617 HG3 ARG 2 HG3 ARG 2 13.162 -18.980 4.811 618 HD2 ARG 2 HD2 ARG 2 12.280 -21.099 5.666 619 HD3 ARG 2 HD3 ARG 2 12.285 -19.863 6.920 620 HE ARG 2 HE ARG 2 9.802 -19.799 5.702 621 HH11 ARG 2 HH11 ARG 2 11.670 -22.091 7.654 622 HH12 ARG 2 HH12 ARG 2 10.332 -22.837 8.382 623 HH21 ARG 2 HH21 ARG 2 7.899 -20.816 6.716 624 HH22 ARG 2 HH22 ARG 2 8.107 -22.080 7.826 625 H THR 3 H THR 3 12.639 -14.341 4.797 626 HA THR 3 HA THR 3 10.357 -13.202 6.061 627 HB THR 3 HB THR 3 12.905 -11.864 5.166 628 HG1 THR 3 HG1 THR 3 12.763 -12.977 7.714 629 HG21 THR 3 HG21 THR 3 12.541 -10.527 7.203 630 HG22 THR 3 HG22 THR 3 11.111 -11.482 7.585 631 HG23 THR 3 HG23 THR 3 11.125 -10.449 6.155 632 H LYS 4 H LYS 4 8.838 -12.026 4.950 633 HA LYS 4 HA LYS 4 9.559 -10.626 2.540 634 HB2 LYS 4 HB2 LYS 4 7.530 -11.478 1.363 635 HB3 LYS 4 HB3 LYS 4 8.717 -12.738 1.655 636 HG2 LYS 4 HG2 LYS 4 7.420 -13.581 3.518 637 HG3 LYS 4 HG3 LYS 4 6.267 -12.268 3.342 638 HD2 LYS 4 HD2 LYS 4 5.308 -14.271 2.371 639 HD3 LYS 4 HD3 LYS 4 5.704 -13.117 1.095 640 HE2 LYS 4 HE2 LYS 4 7.684 -15.259 1.791 641 HE3 LYS 4 HE3 LYS 4 6.281 -15.674 0.816 642 HZ1 LYS 4 HZ1 LYS 4 8.249 -15.033 -0.585 643 HZ2 LYS 4 HZ2 LYS 4 8.110 -13.438 0.054 644 HZ3 LYS 4 HZ3 LYS 4 6.896 -14.066 -0.782 645 H GLN 5 H GLN 5 8.395 -8.739 2.370 646 HA GLN 5 HA GLN 5 6.596 -8.164 4.610 647 HB2 GLN 5 HB2 GLN 5 8.774 -6.749 3.637 648 HB3 GLN 5 HB3 GLN 5 7.392 -5.989 2.839 649 HG2 GLN 5 HG2 GLN 5 7.809 -4.788 4.803 650 HG3 GLN 5 HG3 GLN 5 6.328 -5.766 4.952 651 HE21 GLN 5 HE21 GLN 5 6.179 -7.278 6.539 652 HE22 GLN 5 HE22 GLN 5 7.403 -7.591 7.704 653 H THR 6 H THR 6 4.443 -7.159 3.990 654 HA THR 6 HA THR 6 3.952 -7.258 1.130 655 HB THR 6 HB THR 6 2.055 -8.602 1.239 656 HG1 THR 6 HG1 THR 6 1.212 -9.368 3.324 657 HG21 THR 6 HG21 THR 6 2.778 -10.780 2.193 658 HG22 THR 6 HG22 THR 6 4.067 -9.936 3.057 659 HG23 THR 6 HG23 THR 6 4.055 -9.956 1.298 660 H ALA 7 H ALA 7 1.751 -6.288 0.584 661 HA ALA 7 HA ALA 7 0.582 -4.559 2.594 662 HB1 ALA 7 HB1 ALA 7 0.695 -2.584 1.097 663 HB2 ALA 7 HB2 ALA 7 1.724 -3.496 -0.010 664 HB3 ALA 7 HB3 ALA 7 2.297 -3.109 1.607 665 H ARG 8 H ARG 8 -1.407 -3.442 1.385 666 HA ARG 8 HA ARG 8 -2.947 -5.648 0.549 667 HB2 ARG 8 HB2 ARG 8 -3.820 -2.802 0.128 668 HB3 ARG 8 HB3 ARG 8 -4.829 -4.227 0.260 669 HG2 ARG 8 HG2 ARG 8 -3.811 -4.387 2.659 670 HG3 ARG 8 HG3 ARG 8 -3.418 -2.679 2.342 671 HD2 ARG 8 HD2 ARG 8 -5.539 -2.800 3.463 672 HD3 ARG 8 HD3 ARG 8 -5.766 -2.255 1.802 673 HE ARG 8 HE ARG 8 -6.068 -5.090 2.036 674 HH11 ARG 8 HH11 ARG 8 -7.807 -2.048 2.428 675 HH12 ARG 8 HH12 ARG 8 -9.361 -2.762 2.386 676 HH21 ARG 8 HH21 ARG 8 -8.070 -6.067 2.018 677 HH22 ARG 8 HH22 ARG 8 -9.536 -5.214 2.123 678 H M3L 9 H M3L 9 -2.266 -2.730 -1.343 679 HA M3L 9 HA M3L 9 -2.091 -2.318 -3.569 680 HB2 M3L 9 1HB M3L 9 -1.345 -4.676 -4.094 681 HB3 M3L 9 2HB M3L 9 -3.037 -5.113 -4.252 682 HG2 M3L 9 1HG M3L 9 -2.105 -2.813 -5.868 683 HG3 M3L 9 2HG M3L 9 -3.279 -4.069 -6.257 684 HD2 M3L 9 1HD M3L 9 -0.722 -3.888 -7.246 685 HD3 M3L 9 2HD M3L 9 -0.533 -5.077 -5.964 686 HE2 M3L 9 1HE M3L 9 -2.612 -5.198 -8.135 687 HE3 M3L 9 2HE M3L 9 -2.390 -6.392 -6.878 688 HM11 M3L 9 1HM1 M3L 9 -0.713 -8.160 -9.796 689 HM12 M3L 9 2HM1 M3L 9 -1.739 -8.390 -8.399 690 HM13 M3L 9 3HM1 M3L 9 -2.295 -7.396 -9.691 691 HM21 M3L 9 1HM2 M3L 9 0.879 -7.715 -8.024 692 HM22 M3L 9 2HM2 M3L 9 0.097 -7.148 -6.553 693 HM23 M3L 9 3HM2 M3L 9 1.137 -6.111 -7.493 694 HM31 M3L 9 3HM3 M3L 9 0.825 -5.547 -9.526 695 HM32 M3L 9 1HM3 M3L 9 -0.663 -5.531 -10.442 696 HM33 M3L 9 2HM3 M3L 9 -0.381 -4.391 -9.149 697 H SER 10 H SER 10 -3.601 -0.845 -3.611 698 HA SER 10 HA SER 10 -6.203 -1.473 -2.654 699 HB2 SER 10 HB2 SER 10 -5.119 1.168 -3.693 700 HB3 SER 10 HB3 SER 10 -6.629 0.946 -2.784 701 HG SER 10 HG SER 10 -3.988 0.667 -2.101 702 H THR 11 H THR 11 -7.057 -2.863 -4.046 703 HA THR 11 HA THR 11 -7.644 -1.942 -6.701 704 HB THR 11 HB THR 11 -6.917 -4.214 -6.660 705 HG1 THR 11 HG1 THR 11 -9.709 -4.406 -6.911 706 HG21 THR 11 HG21 THR 11 -9.098 -4.816 -4.642 707 HG22 THR 11 HG22 THR 11 -7.363 -4.793 -4.321 708 HG23 THR 11 HG23 THR 11 -8.044 -6.016 -5.391 709 H GLY 12 H GLY 12 -8.900 -0.187 -5.946 710 HA2 GLY 12 HA2 GLY 12 -11.601 -0.474 -6.313 711 HA3 GLY 12 HA3 GLY 12 -11.343 -0.548 -4.568 712 H GLY 13 H GLY 13 -12.798 1.530 -5.561 713 HA2 GLY 13 HA2 GLY 13 -11.076 3.746 -4.853 714 HA3 GLY 13 HA3 GLY 13 -11.743 3.791 -6.480 715 H LYS 14 H LYS 14 -13.058 2.875 -3.295 716 HA LYS 14 HA LYS 14 -14.836 5.114 -3.331 717 HB2 LYS 14 HB2 LYS 14 -16.057 3.450 -4.746 718 HB3 LYS 14 HB3 LYS 14 -15.975 2.298 -3.422 719 HG2 LYS 14 HG2 LYS 14 -17.302 3.841 -2.024 720 HG3 LYS 14 HG3 LYS 14 -17.421 4.944 -3.390 721 HD2 LYS 14 HD2 LYS 14 -18.599 3.210 -4.674 722 HD3 LYS 14 HD3 LYS 14 -18.484 2.117 -3.295 723 HE2 LYS 14 HE2 LYS 14 -19.788 3.688 -1.939 724 HE3 LYS 14 HE3 LYS 14 -19.892 4.786 -3.312 725 HZ1 LYS 14 HZ1 LYS 14 -21.085 2.066 -3.111 726 HZ2 LYS 14 HZ2 LYS 14 -21.073 2.988 -4.521 727 HZ3 LYS 14 HZ3 LYS 14 -21.898 3.541 -3.153 728 H ALA 15 H ALA 15 -15.530 5.560 -1.273 729 HA ALA 15 HA ALA 15 -14.269 4.100 0.854 730 HB1 ALA 15 HB1 ALA 15 -15.231 5.879 2.291 731 HB2 ALA 15 HB2 ALA 15 -16.088 6.522 0.891 732 HB3 ALA 15 HB3 ALA 15 -14.326 6.550 0.933 733 HA PRO 16 HA PRO 16 -17.959 1.689 1.509 734 HB2 PRO 16 HB2 PRO 16 -17.224 1.091 4.244 735 HB3 PRO 16 HB3 PRO 16 -17.107 0.032 2.828 736 HG2 PRO 16 HG2 PRO 16 -14.942 1.012 4.150 737 HG3 PRO 16 HG3 PRO 16 -14.939 0.521 2.447 738 HD2 PRO 16 HD2 PRO 16 -15.062 3.261 3.609 739 HD3 PRO 16 HD3 PRO 16 -14.233 2.668 2.153 740 H ARG 17 H ARG 17 -19.164 3.717 1.474 741 HA ARG 17 HA ARG 17 -20.578 3.989 3.980 742 HB2 ARG 17 HB2 ARG 17 -19.275 6.243 2.549 743 HB3 ARG 17 HB3 ARG 17 -20.841 6.518 3.283 744 HG2 ARG 17 HG2 ARG 17 -18.305 5.668 4.661 745 HG3 ARG 17 HG3 ARG 17 -19.138 7.218 4.805 746 HD2 ARG 17 HD2 ARG 17 -20.006 4.522 5.856 747 HD3 ARG 17 HD3 ARG 17 -19.706 5.999 6.751 748 HE ARG 17 HE ARG 17 -21.864 6.336 4.895 749 HH11 ARG 17 HH11 ARG 17 -21.116 5.129 8.131 750 HH12 ARG 17 HH12 ARG 17 -22.750 5.064 8.631 751 HH21 ARG 17 HH21 ARG 17 -24.071 6.186 5.526 752 HH22 ARG 17 HH22 ARG 17 -24.518 5.686 7.064 753 H TYR 18 H TYR 18 -22.623 4.172 3.884 754 HA TYR 18 HA TYR 18 -23.992 5.165 1.600 755 HB2 TYR 18 HB2 TYR 18 -24.579 2.466 2.929 756 HB3 TYR 18 HB3 TYR 18 -25.673 3.279 1.818 757 HD1 TYR 18 HD1 TYR 18 -24.937 3.641 -0.550 758 HD2 TYR 18 HD2 TYR 18 -22.811 1.096 2.114 759 HE1 TYR 18 HE1 TYR 18 -23.799 2.608 -2.457 760 HE2 TYR 18 HE2 TYR 18 -21.654 0.059 0.208 761 HH TYR 18 HH TYR 18 -22.047 -0.242 -2.222 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -19.370 -46.210 8.312 2 H2 MET 1 H2 MET 1 -18.474 -44.948 9.053 3 H3 MET 1 H3 MET 1 -20.010 -45.271 9.594 4 HA MET 1 HA MET 1 -19.281 -47.370 10.487 5 HB2 MET 1 HB2 MET 1 -17.475 -47.720 8.766 6 HB3 MET 1 HB3 MET 1 -16.569 -46.399 9.480 7 HG2 MET 1 HG2 MET 1 -16.397 -47.702 11.578 8 HG3 MET 1 HG3 MET 1 -17.223 -49.038 10.784 9 HE1 MET 1 HE1 MET 1 -16.173 -50.424 8.740 10 HE2 MET 1 HE2 MET 1 -14.597 -50.067 8.037 11 HE3 MET 1 HE3 MET 1 -15.932 -48.938 7.818 12 H VAL 2 H VAL 2 -18.180 -47.257 12.718 13 HA VAL 2 HA VAL 2 -18.308 -44.584 13.668 14 HB VAL 2 HB VAL 2 -17.636 -45.623 15.907 15 HG11 VAL 2 HG11 VAL 2 -19.973 -45.241 15.332 16 HG12 VAL 2 HG12 VAL 2 -19.803 -46.736 16.251 17 HG13 VAL 2 HG13 VAL 2 -20.036 -46.795 14.505 18 HG21 VAL 2 HG21 VAL 2 -17.758 -48.073 16.120 19 HG22 VAL 2 HG22 VAL 2 -16.442 -47.601 15.044 20 HG23 VAL 2 HG23 VAL 2 -17.952 -48.218 14.373 21 H SER 3 H SER 3 -16.781 -43.343 12.897 22 HA SER 3 HA SER 3 -14.016 -44.049 13.452 23 HB2 SER 3 HB2 SER 3 -15.030 -42.900 10.835 24 HB3 SER 3 HB3 SER 3 -13.379 -43.399 11.211 25 HG SER 3 HG SER 3 -14.345 -45.539 11.588 26 H VAL 4 H VAL 4 -12.946 -42.299 14.263 27 HA VAL 4 HA VAL 4 -14.477 -39.837 14.523 28 HB VAL 4 HB VAL 4 -11.909 -40.673 15.918 29 HG11 VAL 4 HG11 VAL 4 -12.382 -38.826 17.466 30 HG12 VAL 4 HG12 VAL 4 -13.780 -38.375 16.492 31 HG13 VAL 4 HG13 VAL 4 -12.160 -38.251 15.813 32 HG21 VAL 4 HG21 VAL 4 -14.749 -40.718 16.942 33 HG22 VAL 4 HG22 VAL 4 -13.310 -41.063 17.901 34 HG23 VAL 4 HG23 VAL 4 -13.756 -42.126 16.566 35 H LYS 5 H LYS 5 -13.950 -38.126 13.382 36 HA LYS 5 HA LYS 5 -11.463 -38.183 11.833 37 HB2 LYS 5 HB2 LYS 5 -14.067 -36.726 11.328 38 HB3 LYS 5 HB3 LYS 5 -12.612 -36.552 10.362 39 HG2 LYS 5 HG2 LYS 5 -12.756 -38.868 9.666 40 HG3 LYS 5 HG3 LYS 5 -14.151 -39.123 10.716 41 HD2 LYS 5 HD2 LYS 5 -14.853 -38.803 8.392 42 HD3 LYS 5 HD3 LYS 5 -15.434 -37.488 9.410 43 HE2 LYS 5 HE2 LYS 5 -13.568 -36.076 8.621 44 HE3 LYS 5 HE3 LYS 5 -13.015 -37.401 7.595 45 HZ1 LYS 5 HZ1 LYS 5 -15.630 -36.017 7.391 46 HZ2 LYS 5 HZ2 LYS 5 -15.105 -37.275 6.388 47 HZ3 LYS 5 HZ3 LYS 5 -14.307 -35.781 6.362 48 HA PRO 6 HA PRO 6 -10.295 -34.435 14.028 49 HB2 PRO 6 HB2 PRO 6 -9.197 -33.365 11.504 50 HB3 PRO 6 HB3 PRO 6 -8.327 -33.792 12.991 51 HG2 PRO 6 HG2 PRO 6 -8.054 -35.241 10.783 52 HG3 PRO 6 HG3 PRO 6 -8.058 -35.980 12.397 53 HD2 PRO 6 HD2 PRO 6 -10.258 -35.882 10.382 54 HD3 PRO 6 HD3 PRO 6 -9.730 -37.219 11.428 55 H LEU 7 H LEU 7 -11.441 -32.631 14.415 56 HA LEU 7 HA LEU 7 -13.347 -31.754 12.389 57 HB2 LEU 7 HB2 LEU 7 -13.181 -31.153 15.352 58 HB3 LEU 7 HB3 LEU 7 -14.455 -30.607 14.284 59 HG LEU 7 HG LEU 7 -13.883 -33.478 15.034 60 HD11 LEU 7 HD11 LEU 7 -16.135 -31.640 15.814 61 HD12 LEU 7 HD12 LEU 7 -14.837 -32.210 16.864 62 HD13 LEU 7 HD13 LEU 7 -16.014 -33.352 16.217 63 HD21 LEU 7 HD21 LEU 7 -15.983 -33.986 13.857 64 HD22 LEU 7 HD22 LEU 7 -14.763 -33.339 12.765 65 HD23 LEU 7 HD23 LEU 7 -16.084 -32.309 13.321 66 HA PRO 8 HA PRO 8 -10.966 -28.078 11.892 67 HB2 PRO 8 HB2 PRO 8 -12.773 -26.363 10.875 68 HB3 PRO 8 HB3 PRO 8 -12.226 -27.788 9.968 69 HG2 PRO 8 HG2 PRO 8 -14.780 -27.348 11.381 70 HG3 PRO 8 HG3 PRO 8 -14.438 -28.291 9.919 71 HD2 PRO 8 HD2 PRO 8 -14.768 -29.339 12.485 72 HD3 PRO 8 HD3 PRO 8 -14.060 -30.177 11.094 73 H ASP 9 H ASP 9 -10.167 -26.830 13.442 74 HA ASP 9 HA ASP 9 -11.827 -25.535 15.411 75 HB2 ASP 9 HB2 ASP 9 -9.637 -24.788 16.319 76 HB3 ASP 9 HB3 ASP 9 -9.641 -26.527 16.053 77 H ILE 10 H ILE 10 -9.924 -24.899 12.625 78 HA ILE 10 HA ILE 10 -10.269 -22.076 12.423 79 HB ILE 10 HB ILE 10 -9.620 -24.214 10.365 80 HG12 ILE 10 HG12 ILE 10 -7.935 -24.087 12.103 81 HG13 ILE 10 HG13 ILE 10 -7.281 -23.461 10.595 82 HG21 ILE 10 HG21 ILE 10 -9.339 -21.241 10.037 83 HG22 ILE 10 HG22 ILE 10 -10.489 -22.279 9.209 84 HG23 ILE 10 HG23 ILE 10 -8.757 -22.460 8.899 85 HD11 ILE 10 HD11 ILE 10 -7.626 -21.169 11.428 86 HD12 ILE 10 HD12 ILE 10 -6.558 -22.113 12.465 87 HD13 ILE 10 HD13 ILE 10 -8.226 -21.828 12.952 88 H ASP 11 H ASP 11 -11.751 -20.952 10.957 89 HA ASP 11 HA ASP 11 -14.366 -22.044 11.062 90 HB2 ASP 11 HB2 ASP 11 -14.075 -19.643 11.238 91 HB3 ASP 11 HB3 ASP 11 -13.364 -19.565 9.636 92 H SER 12 H SER 12 -15.833 -22.283 9.279 93 HA SER 12 HA SER 12 -14.809 -24.196 7.443 94 HB2 SER 12 HB2 SER 12 -17.083 -24.360 8.426 95 HB3 SER 12 HB3 SER 12 -17.561 -22.931 7.515 96 HG SER 12 HG SER 12 -16.611 -24.389 5.701 97 H ASN 13 H ASN 13 -15.631 -20.758 7.214 98 HA ASN 13 HA ASN 13 -14.470 -20.887 4.597 99 HB2 ASN 13 HB2 ASN 13 -15.985 -18.963 3.830 100 HB3 ASN 13 HB3 ASN 13 -16.676 -20.567 3.875 101 HD21 ASN 13 HD21 ASN 13 -16.345 -18.708 6.899 102 HD22 ASN 13 HD22 ASN 13 -18.014 -18.384 7.032 103 H GLU 14 H GLU 14 -12.652 -20.499 5.762 104 HA GLU 14 HA GLU 14 -12.289 -17.683 6.498 105 HB2 GLU 14 HB2 GLU 14 -11.937 -19.637 8.199 106 HB3 GLU 14 HB3 GLU 14 -10.498 -19.989 7.267 107 HG2 GLU 14 HG2 GLU 14 -9.605 -17.784 7.769 108 HG3 GLU 14 HG3 GLU 14 -11.068 -17.388 8.673 109 H GLY 15 H GLY 15 -9.767 -17.132 6.020 110 HA2 GLY 15 HA2 GLY 15 -8.664 -18.474 3.775 111 HA3 GLY 15 HA3 GLY 15 -9.463 -16.971 3.318 112 H GLU 16 H GLU 16 -7.116 -16.628 2.672 113 HA GLU 16 HA GLU 16 -5.547 -15.689 4.940 114 HB2 GLU 16 HB2 GLU 16 -3.590 -15.901 3.481 115 HB3 GLU 16 HB3 GLU 16 -4.439 -17.429 3.591 116 HG2 GLU 16 HG2 GLU 16 -4.661 -15.512 1.263 117 HG3 GLU 16 HG3 GLU 16 -3.567 -16.888 1.318 118 H THR 17 H THR 17 -4.454 -13.623 4.694 119 HA THR 17 HA THR 17 -6.143 -11.729 3.383 120 HB THR 17 HB THR 17 -4.199 -10.208 4.261 121 HG1 THR 17 HG1 THR 17 -2.741 -11.908 4.737 122 HG21 THR 17 HG21 THR 17 -6.461 -10.277 5.195 123 HG22 THR 17 HG22 THR 17 -5.254 -10.191 6.479 124 HG23 THR 17 HG23 THR 17 -6.050 -11.727 6.114 125 H ASP 18 H ASP 18 -3.463 -13.540 2.523 126 HA ASP 18 HA ASP 18 -1.993 -11.893 0.837 127 HB2 ASP 18 HB2 ASP 18 -2.525 -14.872 0.626 128 HB3 ASP 18 HB3 ASP 18 -1.241 -14.013 -0.219 129 H ALA 19 H ALA 19 -4.995 -13.558 0.365 130 HA ALA 19 HA ALA 19 -5.312 -13.471 -2.383 131 HB1 ALA 19 HB1 ALA 19 -7.699 -13.638 -1.969 132 HB2 ALA 19 HB2 ALA 19 -7.461 -13.126 -0.299 133 HB3 ALA 19 HB3 ALA 19 -6.804 -14.667 -0.850 134 H ASP 20 H ASP 20 -5.471 -10.827 -0.124 135 HA ASP 20 HA ASP 20 -6.413 -8.998 -2.262 136 HB2 ASP 20 HB2 ASP 20 -8.149 -9.387 -0.520 137 HB3 ASP 20 HB3 ASP 20 -7.008 -8.930 0.726 138 H VAL 21 H VAL 21 -3.715 -9.942 -1.048 139 HA VAL 21 HA VAL 21 -2.532 -7.323 -0.668 140 HB VAL 21 HB VAL 21 -2.321 -9.547 1.394 141 HG11 VAL 21 HG11 VAL 21 -0.123 -8.570 1.037 142 HG12 VAL 21 HG12 VAL 21 -0.768 -8.097 2.611 143 HG13 VAL 21 HG13 VAL 21 -0.794 -6.956 1.263 144 HG21 VAL 21 HG21 VAL 21 -4.271 -8.145 1.603 145 HG22 VAL 21 HG22 VAL 21 -3.257 -6.698 1.681 146 HG23 VAL 21 HG23 VAL 21 -3.174 -7.915 2.964 147 H TYR 22 H TYR 22 -0.742 -7.172 -1.811 148 HA TYR 22 HA TYR 22 0.472 -9.655 -2.819 149 HB2 TYR 22 HB2 TYR 22 0.394 -6.863 -3.964 150 HB3 TYR 22 HB3 TYR 22 1.428 -8.132 -4.599 151 HD1 TYR 22 HD2 TYR 22 -2.133 -7.277 -3.951 152 HD2 TYR 22 HD1 TYR 22 0.617 -9.630 -6.171 153 HE1 TYR 22 HE2 TYR 22 -3.961 -8.036 -5.391 154 HE2 TYR 22 HE1 TYR 22 -1.191 -10.405 -7.613 155 HH TYR 22 HH TYR 22 -4.393 -9.015 -7.458 156 H GLU 23 H GLU 23 2.897 -9.448 -3.207 157 HA GLU 23 HA GLU 23 4.078 -8.837 -0.739 158 HB2 GLU 23 HB2 GLU 23 4.498 -10.621 -2.680 159 HB3 GLU 23 HB3 GLU 23 5.577 -9.296 -3.120 160 HG2 GLU 23 HG2 GLU 23 6.903 -10.787 -1.889 161 HG3 GLU 23 HG3 GLU 23 6.531 -9.433 -0.827 162 H VAL 24 H VAL 24 5.523 -7.225 -0.294 163 HA VAL 24 HA VAL 24 5.921 -5.183 -2.328 164 HB VAL 24 HB VAL 24 5.977 -4.882 0.707 165 HG11 VAL 24 HG11 VAL 24 6.699 -2.861 -1.429 166 HG12 VAL 24 HG12 VAL 24 7.814 -3.530 -0.226 167 HG13 VAL 24 HG13 VAL 24 6.462 -2.500 0.275 168 HG21 VAL 24 HG21 VAL 24 4.231 -3.252 0.286 169 HG22 VAL 24 HG22 VAL 24 3.786 -4.838 -0.344 170 HG23 VAL 24 HG23 VAL 24 4.339 -3.575 -1.442 171 H GLU 25 H GLU 25 7.744 -5.277 -3.298 172 HA GLU 25 HA GLU 25 9.872 -6.911 -2.350 173 HB2 GLU 25 HB2 GLU 25 9.061 -6.319 -4.762 174 HB3 GLU 25 HB3 GLU 25 9.982 -4.854 -4.540 175 HG2 GLU 25 HG2 GLU 25 12.021 -6.031 -4.485 176 HG3 GLU 25 HG3 GLU 25 11.194 -7.590 -4.321 177 H ASP 26 H ASP 26 9.548 -3.387 -3.054 178 HA ASP 26 HA ASP 26 10.183 -2.472 -0.563 179 HB2 ASP 26 HB2 ASP 26 12.581 -3.339 -1.372 180 HB3 ASP 26 HB3 ASP 26 12.579 -1.847 -2.311 181 H ILE 27 H ILE 27 11.099 0.064 -1.010 182 HA ILE 27 HA ILE 27 8.883 1.062 -2.678 183 HB ILE 27 HB ILE 27 10.556 2.764 -0.763 184 HG12 ILE 27 HG12 ILE 27 9.592 0.899 0.529 185 HG13 ILE 27 HG13 ILE 27 8.867 2.439 0.971 186 HG21 ILE 27 HG21 ILE 27 8.573 4.208 -0.756 187 HG22 ILE 27 HG22 ILE 27 7.785 3.124 -1.897 188 HG23 ILE 27 HG23 ILE 27 9.226 3.996 -2.376 189 HD11 ILE 27 HD11 ILE 27 7.212 0.672 0.888 190 HD12 ILE 27 HD12 ILE 27 7.651 0.313 -0.783 191 HD13 ILE 27 HD13 ILE 27 6.903 1.859 -0.380 192 H LEU 28 H LEU 28 9.297 2.506 -4.332 193 HA LEU 28 HA LEU 28 12.113 2.691 -5.131 194 HB2 LEU 28 HB2 LEU 28 9.606 2.898 -6.751 195 HB3 LEU 28 HB3 LEU 28 11.216 3.127 -7.417 196 HG LEU 28 HG LEU 28 10.082 0.577 -6.250 197 HD11 LEU 28 HD11 LEU 28 9.174 1.105 -8.426 198 HD12 LEU 28 HD12 LEU 28 10.286 -0.259 -8.544 199 HD13 LEU 28 HD13 LEU 28 10.797 1.343 -9.068 200 HD21 LEU 28 HD21 LEU 28 12.799 1.113 -7.458 201 HD22 LEU 28 HD22 LEU 28 12.164 -0.475 -7.035 202 HD23 LEU 28 HD23 LEU 28 12.468 0.714 -5.770 203 H ALA 29 H ALA 29 9.337 4.620 -4.322 204 HA ALA 29 HA ALA 29 10.842 6.980 -4.009 205 HB1 ALA 29 HB1 ALA 29 9.744 8.361 -5.746 206 HB2 ALA 29 HB2 ALA 29 8.960 6.920 -6.392 207 HB3 ALA 29 HB3 ALA 29 10.713 7.078 -6.473 208 H ASP 30 H ASP 30 9.034 8.876 -3.805 209 HA ASP 30 HA ASP 30 6.678 7.749 -2.507 210 HB2 ASP 30 HB2 ASP 30 6.977 9.209 -0.555 211 HB3 ASP 30 HB3 ASP 30 8.285 8.047 -0.692 212 H ARG 31 H ARG 31 5.146 9.467 -1.919 213 HA ARG 31 HA ARG 31 5.541 12.081 -2.765 214 HB2 ARG 31 HB2 ARG 31 4.790 10.624 -4.910 215 HB3 ARG 31 HB3 ARG 31 3.198 10.894 -4.211 216 HG2 ARG 31 HG2 ARG 31 3.527 12.629 -5.780 217 HG3 ARG 31 HG3 ARG 31 3.739 13.364 -4.195 218 HD2 ARG 31 HD2 ARG 31 5.878 12.634 -6.216 219 HD3 ARG 31 HD3 ARG 31 5.490 14.230 -5.588 220 HE ARG 31 HE ARG 31 6.791 12.055 -4.088 221 HH11 ARG 31 HH11 ARG 31 6.500 15.528 -4.680 222 HH12 ARG 31 HH12 ARG 31 7.576 15.987 -3.438 223 HH21 ARG 31 HH21 ARG 31 8.221 12.641 -2.315 224 HH22 ARG 31 HH22 ARG 31 8.597 14.254 -2.039 225 H VAL 32 H VAL 32 3.199 13.214 -2.470 226 HA VAL 32 HA VAL 32 1.894 11.897 -0.287 227 HB VAL 32 HB VAL 32 3.700 13.317 0.669 228 HG11 VAL 32 HG11 VAL 32 3.507 15.760 0.663 229 HG12 VAL 32 HG12 VAL 32 2.210 15.631 -0.528 230 HG13 VAL 32 HG13 VAL 32 3.837 15.084 -0.934 231 HG21 VAL 32 HG21 VAL 32 0.899 14.219 1.314 232 HG22 VAL 32 HG22 VAL 32 2.311 14.448 2.357 233 HG23 VAL 32 HG23 VAL 32 1.740 12.818 1.972 234 H ASN 33 H ASN 33 -0.302 12.409 -0.155 235 HA ASN 33 HA ASN 33 -1.472 13.539 -2.496 236 HB2 ASN 33 HB2 ASN 33 -2.718 12.862 0.179 237 HB3 ASN 33 HB3 ASN 33 -3.531 12.991 -1.363 238 HD21 ASN 33 HD21 ASN 33 -4.347 10.967 -0.642 239 HD22 ASN 33 HD22 ASN 33 -3.457 9.519 -1.041 240 H LYS 34 H LYS 34 -3.297 15.158 -1.984 241 HA LYS 34 HA LYS 34 -2.224 17.372 -0.421 242 HB2 LYS 34 HB2 LYS 34 -4.077 18.699 -1.388 243 HB3 LYS 34 HB3 LYS 34 -3.142 17.886 -2.634 244 HG2 LYS 34 HG2 LYS 34 -4.888 16.176 -2.831 245 HG3 LYS 34 HG3 LYS 34 -5.816 16.981 -1.568 246 HD2 LYS 34 HD2 LYS 34 -5.975 18.990 -2.979 247 HD3 LYS 34 HD3 LYS 34 -5.063 18.165 -4.244 248 HE2 LYS 34 HE2 LYS 34 -6.832 16.471 -4.405 249 HE3 LYS 34 HE3 LYS 34 -7.738 17.301 -3.142 250 HZ1 LYS 34 HZ1 LYS 34 -8.559 17.864 -5.336 251 HZ2 LYS 34 HZ2 LYS 34 -7.036 18.435 -5.795 252 HZ3 LYS 34 HZ3 LYS 34 -7.906 19.233 -4.584 253 H ASN 35 H ASN 35 -4.493 14.918 -0.219 254 HA ASN 35 HA ASN 35 -6.255 15.988 1.722 255 HB2 ASN 35 HB2 ASN 35 -5.745 13.155 0.845 256 HB3 ASN 35 HB3 ASN 35 -7.008 13.614 1.983 257 HD21 ASN 35 HD21 ASN 35 -8.824 14.633 1.226 258 HD22 ASN 35 HD22 ASN 35 -9.191 14.768 -0.452 259 H GLY 36 H GLY 36 -3.105 14.667 1.986 260 HA2 GLY 36 HA2 GLY 36 -1.946 14.976 4.076 261 HA3 GLY 36 HA3 GLY 36 -3.455 14.639 4.909 262 H ILE 37 H ILE 37 -2.674 12.609 2.246 263 HA ILE 37 HA ILE 37 -1.864 10.493 4.098 264 HB ILE 37 HB ILE 37 -3.292 10.219 1.402 265 HG12 ILE 37 HG12 ILE 37 -5.073 9.038 2.939 266 HG13 ILE 37 HG13 ILE 37 -4.292 9.997 4.191 267 HG21 ILE 37 HG21 ILE 37 -1.799 8.380 1.759 268 HG22 ILE 37 HG22 ILE 37 -3.485 7.853 1.892 269 HG23 ILE 37 HG23 ILE 37 -2.511 8.081 3.350 270 HD11 ILE 37 HD11 ILE 37 -4.836 12.021 3.023 271 HD12 ILE 37 HD12 ILE 37 -6.286 11.061 3.349 272 HD13 ILE 37 HD13 ILE 37 -5.576 11.077 1.729 273 H ASN 38 H ASN 38 -0.015 9.328 3.456 274 HA ASN 38 HA ASN 38 1.574 10.619 1.381 275 HB2 ASN 38 HB2 ASN 38 2.230 8.453 3.406 276 HB3 ASN 38 HB3 ASN 38 3.357 8.986 2.174 277 HD21 ASN 38 HD21 ASN 38 1.259 11.237 3.854 278 HD22 ASN 38 HD22 ASN 38 2.500 11.986 4.791 279 H GLU 39 H GLU 39 2.520 9.332 -0.358 280 HA GLU 39 HA GLU 39 1.329 6.713 -0.810 281 HB2 GLU 39 HB2 GLU 39 0.961 7.318 -3.238 282 HB3 GLU 39 HB3 GLU 39 -0.132 8.116 -2.120 283 HG2 GLU 39 HG2 GLU 39 1.052 10.143 -2.284 284 HG3 GLU 39 HG3 GLU 39 2.360 9.368 -3.179 285 H TYR 40 H TYR 40 2.583 5.404 -2.329 286 HA TYR 40 HA TYR 40 5.333 6.419 -2.707 287 HB2 TYR 40 HB2 TYR 40 4.800 3.738 -1.420 288 HB3 TYR 40 HB3 TYR 40 6.349 4.543 -1.641 289 HD1 TYR 40 HD1 TYR 40 3.290 4.390 0.322 290 HD2 TYR 40 HD2 TYR 40 7.021 6.353 -0.176 291 HE1 TYR 40 HE1 TYR 40 3.009 5.444 2.501 292 HE2 TYR 40 HE2 TYR 40 6.751 7.419 2.021 293 HH TYR 40 HH TYR 40 4.232 6.513 4.220 294 H TYR 41 H TYR 41 6.492 5.373 -4.285 295 HA TYR 41 HA TYR 41 4.956 3.846 -6.199 296 HB2 TYR 41 HB2 TYR 41 6.758 5.662 -6.745 297 HB3 TYR 41 HB3 TYR 41 7.926 4.395 -6.396 298 HD1 TYR 41 HD1 TYR 41 4.699 4.489 -8.277 299 HD2 TYR 41 HD2 TYR 41 8.851 3.589 -8.411 300 HE1 TYR 41 HE1 TYR 41 4.455 3.756 -10.600 301 HE2 TYR 41 HE2 TYR 41 8.610 2.842 -10.738 302 HH TYR 41 HH TYR 41 6.779 1.961 -12.182 303 H ILE 42 H ILE 42 4.612 1.827 -5.653 304 HA ILE 42 HA ILE 42 6.482 0.425 -3.910 305 HB ILE 42 HB ILE 42 3.749 -0.435 -4.868 306 HG12 ILE 42 HG12 ILE 42 3.514 1.644 -3.621 307 HG13 ILE 42 HG13 ILE 42 2.897 0.293 -2.679 308 HG21 ILE 42 HG21 ILE 42 5.122 -2.275 -4.067 309 HG22 ILE 42 HG22 ILE 42 3.796 -1.955 -2.949 310 HG23 ILE 42 HG23 ILE 42 5.428 -1.410 -2.559 311 HD11 ILE 42 HD11 ILE 42 4.103 1.787 -1.259 312 HD12 ILE 42 HD12 ILE 42 5.509 1.718 -2.317 313 HD13 ILE 42 HD13 ILE 42 5.020 0.284 -1.415 314 H LYS 43 H LYS 43 7.773 -1.145 -4.655 315 HA LYS 43 HA LYS 43 7.228 -2.202 -7.280 316 HB2 LYS 43 HB2 LYS 43 9.558 -1.581 -6.973 317 HB3 LYS 43 HB3 LYS 43 9.655 -2.524 -5.493 318 HG2 LYS 43 HG2 LYS 43 10.758 -3.642 -7.390 319 HG3 LYS 43 HG3 LYS 43 9.426 -4.587 -6.735 320 HD2 LYS 43 HD2 LYS 43 7.983 -3.756 -8.574 321 HD3 LYS 43 HD3 LYS 43 9.376 -2.907 -9.247 322 HE2 LYS 43 HE2 LYS 43 9.026 -5.020 -10.406 323 HE3 LYS 43 HE3 LYS 43 10.542 -5.053 -9.514 324 HZ1 LYS 43 HZ1 LYS 43 8.014 -6.273 -8.475 325 HZ2 LYS 43 HZ2 LYS 43 9.593 -6.500 -7.877 326 HZ3 LYS 43 HZ3 LYS 43 9.170 -7.109 -9.346 327 H TRP 44 H TRP 44 5.734 -3.681 -7.240 328 HA TRP 44 HA TRP 44 5.295 -5.309 -4.969 329 HB2 TRP 44 HB2 TRP 44 4.110 -5.438 -7.726 330 HB3 TRP 44 HB3 TRP 44 3.537 -6.292 -6.300 331 HD1 TRP 44 HD1 TRP 44 3.399 -2.934 -8.016 332 HE1 TRP 44 HE1 TRP 44 1.785 -1.422 -6.700 333 HE3 TRP 44 HE3 TRP 44 2.754 -5.843 -3.899 334 HZ2 TRP 44 HZ2 TRP 44 0.432 -1.485 -4.285 335 HZ3 TRP 44 HZ3 TRP 44 1.285 -5.041 -2.117 336 HH2 TRP 44 HH2 TRP 44 0.148 -2.899 -2.303 337 H ALA 45 H ALA 45 6.142 -7.144 -4.576 338 HA ALA 45 HA ALA 45 7.654 -8.547 -6.639 339 HB1 ALA 45 HB1 ALA 45 7.292 -9.069 -3.680 340 HB2 ALA 45 HB2 ALA 45 8.739 -8.426 -4.455 341 HB3 ALA 45 HB3 ALA 45 8.235 -10.093 -4.752 342 H GLY 46 H GLY 46 7.060 -10.793 -7.068 343 HA2 GLY 46 HA2 GLY 46 5.530 -12.591 -7.016 344 HA3 GLY 46 HA3 GLY 46 4.384 -11.554 -6.175 345 H TYR 47 H TYR 47 4.903 -9.359 -8.171 346 HA TYR 47 HA TYR 47 3.245 -10.509 -10.291 347 HB2 TYR 47 HB2 TYR 47 2.628 -8.202 -8.919 348 HB3 TYR 47 HB3 TYR 47 3.603 -7.557 -10.262 349 HD1 TYR 47 HD2 TYR 47 1.337 -10.207 -10.179 350 HD2 TYR 47 HD1 TYR 47 2.189 -6.593 -11.720 351 HE1 TYR 47 HE2 TYR 47 -0.688 -10.466 -11.705 352 HE2 TYR 47 HE1 TYR 47 0.291 -6.685 -13.284 353 HH TYR 47 HH TYR 47 -1.109 -8.448 -14.366 354 H ASP 48 H ASP 48 3.566 -9.103 -12.217 355 HA ASP 48 HA ASP 48 6.103 -9.699 -13.327 356 HB2 ASP 48 HB2 ASP 48 4.320 -9.369 -14.874 357 HB3 ASP 48 HB3 ASP 48 4.026 -7.722 -14.292 358 H TRP 49 H TRP 49 7.820 -8.400 -13.899 359 HA TRP 49 HA TRP 49 8.714 -6.804 -11.748 360 HB2 TRP 49 HB2 TRP 49 9.981 -7.280 -14.438 361 HB3 TRP 49 HB3 TRP 49 10.787 -6.553 -13.045 362 HD1 TRP 49 HD1 TRP 49 9.527 -9.904 -14.362 363 HE1 TRP 49 HE1 TRP 49 10.465 -11.789 -12.885 364 HE3 TRP 49 HE3 TRP 49 11.606 -7.066 -10.649 365 HZ2 TRP 49 HZ2 TRP 49 11.895 -12.042 -10.460 366 HZ3 TRP 49 HZ3 TRP 49 12.733 -8.209 -8.784 367 HH2 TRP 49 HH2 TRP 49 12.872 -10.644 -8.692 368 H TYR 50 H TYR 50 7.080 -5.950 -14.662 369 HA TYR 50 HA TYR 50 7.963 -3.184 -14.492 370 HB2 TYR 50 HB2 TYR 50 6.285 -4.594 -16.582 371 HB3 TYR 50 HB3 TYR 50 6.882 -2.944 -16.678 372 HD1 TYR 50 HD2 TYR 50 9.271 -2.515 -17.104 373 HD2 TYR 50 HD1 TYR 50 7.722 -6.477 -17.023 374 HE1 TYR 50 HE2 TYR 50 11.307 -3.334 -18.216 375 HE2 TYR 50 HE1 TYR 50 9.751 -7.304 -18.129 376 HH TYR 50 HH TYR 50 11.523 -6.472 -19.527 377 H ASP 51 H ASP 51 6.020 -4.612 -12.570 378 HA ASP 51 HA ASP 51 3.447 -3.555 -13.332 379 HB2 ASP 51 HB2 ASP 51 2.544 -4.837 -11.758 380 HB3 ASP 51 HB3 ASP 51 3.914 -5.884 -12.195 381 H ASN 52 H ASN 52 6.028 -2.574 -11.432 382 HA ASN 52 HA ASN 52 5.043 -1.650 -9.064 383 HB2 ASN 52 HB2 ASN 52 6.872 0.131 -9.149 384 HB3 ASN 52 HB3 ASN 52 7.378 -1.535 -9.370 385 HD21 ASN 52 HD21 ASN 52 9.268 -0.939 -10.414 386 HD22 ASN 52 HD22 ASN 52 9.292 -0.298 -12.015 387 H THR 53 H THR 53 3.982 0.106 -8.212 388 HA THR 53 HA THR 53 2.791 2.032 -10.006 389 HB THR 53 HB THR 53 1.781 -0.419 -8.813 390 HG1 THR 53 HG1 THR 53 1.866 -0.706 -10.839 391 HG21 THR 53 HG21 THR 53 -0.170 1.856 -9.165 392 HG22 THR 53 HG22 THR 53 0.429 1.090 -7.682 393 HG23 THR 53 HG23 THR 53 -0.562 0.137 -8.795 394 H TRP 54 H TRP 54 1.294 3.380 -8.491 395 HA TRP 54 HA TRP 54 2.691 3.955 -5.987 396 HB2 TRP 54 HB2 TRP 54 0.511 5.539 -7.360 397 HB3 TRP 54 HB3 TRP 54 1.410 6.041 -5.939 398 HD1 TRP 54 HD1 TRP 54 1.711 5.646 -9.696 399 HE1 TRP 54 HE1 TRP 54 3.719 6.946 -10.525 400 HE3 TRP 54 HE3 TRP 54 3.777 6.943 -5.152 401 HZ2 TRP 54 HZ2 TRP 54 5.918 8.394 -9.419 402 HZ3 TRP 54 HZ3 TRP 54 5.807 8.291 -5.157 403 HH2 TRP 54 HH2 TRP 54 6.866 8.998 -7.236 404 H GLU 55 H GLU 55 1.777 3.816 -4.041 405 HA GLU 55 HA GLU 55 -1.047 2.960 -3.807 406 HB2 GLU 55 HB2 GLU 55 1.433 1.920 -2.500 407 HB3 GLU 55 HB3 GLU 55 -0.124 1.787 -1.710 408 HG2 GLU 55 HG2 GLU 55 0.465 0.715 -4.430 409 HG3 GLU 55 HG3 GLU 55 0.642 -0.185 -2.911 410 HA PRO 56 HA PRO 56 -0.691 6.136 -0.655 411 HB2 PRO 56 HB2 PRO 56 -3.118 5.391 0.644 412 HB3 PRO 56 HB3 PRO 56 -2.926 6.670 -0.566 413 HG2 PRO 56 HG2 PRO 56 -4.369 4.318 -0.916 414 HG3 PRO 56 HG3 PRO 56 -3.855 5.441 -2.187 415 HD2 PRO 56 HD2 PRO 56 -2.693 2.831 -1.419 416 HD3 PRO 56 HD3 PRO 56 -2.699 3.673 -2.984 417 H GLU 57 H GLU 57 -0.383 6.214 1.629 418 HA GLU 57 HA GLU 57 1.044 4.084 2.689 419 HB2 GLU 57 HB2 GLU 57 1.378 6.448 3.245 420 HB3 GLU 57 HB3 GLU 57 -0.153 6.468 4.083 421 HG2 GLU 57 HG2 GLU 57 0.657 5.184 5.849 422 HG3 GLU 57 HG3 GLU 57 2.060 4.640 4.926 423 H GLN 58 H GLN 58 -2.266 4.797 2.935 424 HA GLN 58 HA GLN 58 -3.055 3.339 5.197 425 HB2 GLN 58 HB2 GLN 58 -4.604 3.728 2.640 426 HB3 GLN 58 HB3 GLN 58 -5.282 3.320 4.210 427 HG2 GLN 58 HG2 GLN 58 -4.538 5.473 5.095 428 HG3 GLN 58 HG3 GLN 58 -3.844 5.877 3.529 429 HE21 GLN 58 HE21 GLN 58 -6.143 4.657 2.070 430 HE22 GLN 58 HE22 GLN 58 -7.423 5.801 2.302 431 H ASN 59 H ASN 59 -2.284 2.238 1.902 432 HA ASN 59 HA ASN 59 -3.321 -0.391 2.511 433 HB2 ASN 59 HB2 ASN 59 -2.298 0.801 -0.063 434 HB3 ASN 59 HB3 ASN 59 -2.517 -0.933 0.109 435 HD21 ASN 59 HD21 ASN 59 -4.624 1.446 1.581 436 HD22 ASN 59 HD22 ASN 59 -6.006 1.060 0.593 437 H LEU 60 H LEU 60 -0.544 1.165 3.147 438 HA LEU 60 HA LEU 60 1.304 -1.038 2.656 439 HB2 LEU 60 HB2 LEU 60 1.612 1.803 3.587 440 HB3 LEU 60 HB3 LEU 60 2.881 0.651 3.906 441 HG LEU 60 HG LEU 60 3.389 2.036 1.968 442 HD11 LEU 60 HD11 LEU 60 3.915 0.290 0.363 443 HD12 LEU 60 HD12 LEU 60 2.866 -0.824 1.235 444 HD13 LEU 60 HD13 LEU 60 4.308 -0.169 2.016 445 HD21 LEU 60 HD21 LEU 60 2.135 1.823 -0.122 446 HD22 LEU 60 HD22 LEU 60 1.141 2.505 1.163 447 HD23 LEU 60 HD23 LEU 60 0.946 0.815 0.700 448 H PHE 61 H PHE 61 -0.944 -1.005 4.641 449 HA PHE 61 HA PHE 61 -0.193 -0.734 7.283 450 HB2 PHE 61 HB2 PHE 61 -2.172 -1.976 7.855 451 HB3 PHE 61 HB3 PHE 61 -2.507 -1.139 6.341 452 HD1 PHE 61 HD1 PHE 61 -2.312 -2.456 4.165 453 HD2 PHE 61 HD2 PHE 61 -2.490 -4.279 8.009 454 HE1 PHE 61 HE1 PHE 61 -2.993 -4.575 3.132 455 HE2 PHE 61 HE2 PHE 61 -3.173 -6.399 6.976 456 HZ PHE 61 HZ PHE 61 -3.428 -6.550 4.539 457 H GLY 62 H GLY 62 0.470 -3.479 5.176 458 HA2 GLY 62 HA2 GLY 62 1.495 -5.074 7.404 459 HA3 GLY 62 HA3 GLY 62 1.312 -5.615 5.739 460 H ALA 63 H ALA 63 2.537 -2.971 5.010 461 HA ALA 63 HA ALA 63 5.256 -3.984 4.901 462 HB1 ALA 63 HB1 ALA 63 3.873 -1.784 3.382 463 HB2 ALA 63 HB2 ALA 63 4.114 -3.435 2.819 464 HB3 ALA 63 HB3 ALA 63 5.502 -2.377 3.057 465 H GLU 64 H GLU 64 4.138 -2.781 7.250 466 HA GLU 64 HA GLU 64 4.868 -0.158 7.755 467 HB2 GLU 64 HB2 GLU 64 3.416 -1.172 9.278 468 HB3 GLU 64 HB3 GLU 64 4.403 -2.601 9.426 469 HG2 GLU 64 HG2 GLU 64 5.442 -0.035 10.530 470 HG3 GLU 64 HG3 GLU 64 4.149 -0.867 11.390 471 H LYS 65 H LYS 65 6.776 -3.011 7.739 472 HA LYS 65 HA LYS 65 9.075 -2.007 9.057 473 HB2 LYS 65 HB2 LYS 65 8.707 -4.341 7.167 474 HB3 LYS 65 HB3 LYS 65 10.271 -3.938 7.843 475 HG2 LYS 65 HG2 LYS 65 9.234 -5.765 9.083 476 HG3 LYS 65 HG3 LYS 65 9.399 -4.346 10.107 477 HD2 LYS 65 HD2 LYS 65 7.020 -3.824 9.727 478 HD3 LYS 65 HD3 LYS 65 6.874 -5.265 8.726 479 HE2 LYS 65 HE2 LYS 65 7.316 -6.690 10.597 480 HE3 LYS 65 HE3 LYS 65 7.742 -5.312 11.613 481 HZ1 LYS 65 HZ1 LYS 65 5.539 -4.517 11.487 482 HZ2 LYS 65 HZ2 LYS 65 5.472 -6.094 12.071 483 HZ3 LYS 65 HZ3 LYS 65 5.029 -5.749 10.460 484 H VAL 66 H VAL 66 8.347 -2.389 5.601 485 HA VAL 66 HA VAL 66 10.789 -1.161 4.800 486 HB VAL 66 HB VAL 66 9.656 -2.770 3.333 487 HG11 VAL 66 HG11 VAL 66 7.614 -0.614 2.880 488 HG12 VAL 66 HG12 VAL 66 7.364 -2.145 3.714 489 HG13 VAL 66 HG13 VAL 66 7.730 -2.135 1.985 490 HG21 VAL 66 HG21 VAL 66 10.065 -0.046 2.198 491 HG22 VAL 66 HG22 VAL 66 9.861 -1.498 1.218 492 HG23 VAL 66 HG23 VAL 66 11.243 -1.355 2.312 493 H LEU 67 H LEU 67 7.557 -0.023 5.357 494 HA LEU 67 HA LEU 67 7.588 2.515 4.233 495 HB2 LEU 67 HB2 LEU 67 5.658 1.297 5.219 496 HB3 LEU 67 HB3 LEU 67 6.341 1.546 6.806 497 HG LEU 67 HG LEU 67 6.057 3.998 6.479 498 HD11 LEU 67 HD11 LEU 67 4.580 4.735 4.687 499 HD12 LEU 67 HD12 LEU 67 4.582 3.103 4.017 500 HD13 LEU 67 HD13 LEU 67 6.074 4.043 4.064 501 HD21 LEU 67 HD21 LEU 67 4.425 2.679 7.725 502 HD22 LEU 67 HD22 LEU 67 3.570 2.307 6.228 503 HD23 LEU 67 HD23 LEU 67 3.634 3.968 6.817 504 H LYS 68 H LYS 68 8.424 1.391 7.502 505 HA LYS 68 HA LYS 68 9.280 3.754 8.611 506 HB2 LYS 68 HB2 LYS 68 8.499 1.842 9.748 507 HB3 LYS 68 HB3 LYS 68 9.748 0.850 9.045 508 HG2 LYS 68 HG2 LYS 68 11.418 2.034 10.377 509 HG3 LYS 68 HG3 LYS 68 10.121 3.005 11.104 510 HD2 LYS 68 HD2 LYS 68 9.950 0.087 10.967 511 HD3 LYS 68 HD3 LYS 68 10.852 0.810 12.336 512 HE2 LYS 68 HE2 LYS 68 8.781 1.985 12.981 513 HE3 LYS 68 HE3 LYS 68 7.948 1.354 11.567 514 HZ1 LYS 68 HZ1 LYS 68 8.055 -0.793 12.386 515 HZ2 LYS 68 HZ2 LYS 68 7.441 0.126 13.635 516 HZ3 LYS 68 HZ3 LYS 68 9.066 -0.413 13.679 517 H LYS 69 H LYS 69 10.973 1.129 6.894 518 HA LYS 69 HA LYS 69 13.611 1.957 7.333 519 HB2 LYS 69 HB2 LYS 69 12.953 -0.216 6.208 520 HB3 LYS 69 HB3 LYS 69 12.624 0.709 4.747 521 HG2 LYS 69 HG2 LYS 69 14.997 1.524 4.832 522 HG3 LYS 69 HG3 LYS 69 15.276 0.395 6.145 523 HD2 LYS 69 HD2 LYS 69 16.062 -0.811 4.329 524 HD3 LYS 69 HD3 LYS 69 14.402 -1.381 4.418 525 HE2 LYS 69 HE2 LYS 69 15.228 0.905 2.619 526 HE3 LYS 69 HE3 LYS 69 15.334 -0.769 2.105 527 HZ1 LYS 69 HZ1 LYS 69 12.747 0.543 2.912 528 HZ2 LYS 69 HZ2 LYS 69 13.044 -1.002 2.169 529 HZ3 LYS 69 HZ3 LYS 69 13.320 0.302 1.339 530 H TRP 70 H TRP 70 11.375 2.771 4.709 531 HA TRP 70 HA TRP 70 13.185 4.296 3.215 532 HB2 TRP 70 HB2 TRP 70 11.223 3.281 2.230 533 HB3 TRP 70 HB3 TRP 70 10.169 4.222 3.272 534 HD1 TRP 70 HD1 TRP 70 9.615 6.685 2.541 535 HE1 TRP 70 HE1 TRP 70 10.017 8.017 0.407 536 HE3 TRP 70 HE3 TRP 70 12.956 3.548 0.281 537 HZ2 TRP 70 HZ2 TRP 70 11.547 7.770 -1.965 538 HZ3 TRP 70 HZ3 TRP 70 13.839 4.170 -1.931 539 HH2 TRP 70 HH2 TRP 70 13.146 6.236 -3.029 540 H LYS 71 H LYS 71 10.379 5.463 5.148 541 HA LYS 71 HA LYS 71 11.305 8.103 4.830 542 HB2 LYS 71 HB2 LYS 71 9.045 7.114 6.543 543 HB3 LYS 71 HB3 LYS 71 9.513 8.819 6.417 544 HG2 LYS 71 HG2 LYS 71 9.180 8.595 3.942 545 HG3 LYS 71 HG3 LYS 71 8.458 7.022 4.273 546 HD2 LYS 71 HD2 LYS 71 7.484 9.651 5.407 547 HD3 LYS 71 HD3 LYS 71 6.777 8.824 4.026 548 HE2 LYS 71 HE2 LYS 71 6.339 6.868 5.538 549 HE3 LYS 71 HE3 LYS 71 6.865 7.874 6.889 550 HZ1 LYS 71 HZ1 LYS 71 4.743 8.729 5.038 551 HZ2 LYS 71 HZ2 LYS 71 4.931 9.284 6.623 552 HZ3 LYS 71 HZ3 LYS 71 4.370 7.716 6.270 553 H LYS 72 H LYS 72 12.068 5.853 7.295 554 HA LYS 72 HA LYS 72 12.924 7.984 9.028 555 HB2 LYS 72 HB2 LYS 72 12.069 5.811 9.944 556 HB3 LYS 72 HB3 LYS 72 13.519 5.035 9.337 557 HG2 LYS 72 HG2 LYS 72 13.714 5.461 11.716 558 HG3 LYS 72 HG3 LYS 72 14.884 6.440 10.827 559 HD2 LYS 72 HD2 LYS 72 13.428 8.391 11.020 560 HD3 LYS 72 HD3 LYS 72 12.204 7.419 11.835 561 HE2 LYS 72 HE2 LYS 72 14.992 7.957 12.867 562 HE3 LYS 72 HE3 LYS 72 13.533 8.791 13.397 563 HZ1 LYS 72 HZ1 LYS 72 14.158 7.024 14.922 564 HZ2 LYS 72 HZ2 LYS 72 14.048 5.876 13.687 565 HZ3 LYS 72 HZ3 LYS 72 12.663 6.699 14.205 566 H ARG 73 H ARG 73 14.423 5.858 6.648 567 HA ARG 73 HA ARG 73 16.992 6.857 7.451 568 HB2 ARG 73 HB2 ARG 73 16.282 4.882 5.326 569 HB3 ARG 73 HB3 ARG 73 17.917 5.501 5.529 570 HG2 ARG 73 HG2 ARG 73 16.339 4.040 7.662 571 HG3 ARG 73 HG3 ARG 73 17.583 3.311 6.650 572 HD2 ARG 73 HD2 ARG 73 18.491 3.883 8.868 573 HD3 ARG 73 HD3 ARG 73 19.262 4.853 7.617 574 HE ARG 73 HE ARG 73 16.984 6.041 8.925 575 HH11 ARG 73 HH11 ARG 73 20.492 5.743 9.109 576 HH12 ARG 73 HH12 ARG 73 20.768 7.322 9.677 577 HH21 ARG 73 HH21 ARG 73 17.306 8.224 9.609 578 HH22 ARG 73 HH22 ARG 73 18.863 8.813 9.986 579 H LYS 74 H LYS 74 14.727 7.780 5.060 580 HA LYS 74 HA LYS 74 16.578 9.929 4.537 581 HB2 LYS 74 HB2 LYS 74 16.416 9.854 2.197 582 HB3 LYS 74 HB3 LYS 74 16.608 8.176 2.645 583 HG2 LYS 74 HG2 LYS 74 15.042 8.119 1.019 584 HG3 LYS 74 HG3 LYS 74 14.024 8.091 2.468 585 HD2 LYS 74 HD2 LYS 74 13.927 10.625 2.260 586 HD3 LYS 74 HD3 LYS 74 14.625 10.429 0.657 587 HE2 LYS 74 HE2 LYS 74 12.729 9.143 -0.045 588 HE3 LYS 74 HE3 LYS 74 12.079 9.143 1.595 589 HZ1 LYS 74 HZ1 LYS 74 10.976 10.756 0.258 590 HZ2 LYS 74 HZ2 LYS 74 12.436 11.518 -0.137 591 HZ3 LYS 74 HZ3 LYS 74 11.894 11.565 1.459 592 H LYS 75 H LYS 75 15.630 11.904 4.523 593 HA LYS 75 HA LYS 75 12.753 11.868 4.997 594 HB2 LYS 75 HB2 LYS 75 13.074 14.217 5.839 595 HB3 LYS 75 HB3 LYS 75 13.869 12.981 6.792 596 HG2 LYS 75 HG2 LYS 75 15.989 13.656 6.174 597 HG3 LYS 75 HG3 LYS 75 15.433 14.370 4.662 598 HD2 LYS 75 HD2 LYS 75 14.938 15.492 7.426 599 HD3 LYS 75 HD3 LYS 75 16.142 16.082 6.278 600 HE2 LYS 75 HE2 LYS 75 13.121 16.175 5.978 601 HE3 LYS 75 HE3 LYS 75 14.232 17.520 6.136 602 HZ1 LYS 75 HZ1 LYS 75 13.548 17.223 3.817 603 HZ2 LYS 75 HZ2 LYS 75 14.082 15.644 3.835 604 HZ3 LYS 75 HZ3 LYS 75 15.207 16.886 3.949 605 H1 ALA 1 H1 ALA 1 0.830 -18.247 10.546 606 H2 ALA 1 H2 ALA 1 2.423 -17.715 10.896 607 H3 ALA 1 H3 ALA 1 2.188 -18.837 9.691 608 HA ALA 1 HA ALA 1 1.089 -17.221 8.342 609 HB1 ALA 1 HB1 ALA 1 1.075 -14.868 9.087 610 HB2 ALA 1 HB2 ALA 1 1.700 -15.365 10.659 611 HB3 ALA 1 HB3 ALA 1 0.092 -15.879 10.144 612 H ARG 2 H ARG 2 2.464 -15.576 7.150 613 HA ARG 2 HA ARG 2 5.289 -16.216 7.605 614 HB2 ARG 2 HB2 ARG 2 5.590 -15.741 5.207 615 HB3 ARG 2 HB3 ARG 2 4.408 -17.016 5.449 616 HG2 ARG 2 HG2 ARG 2 2.599 -15.402 5.089 617 HG3 ARG 2 HG3 ARG 2 3.796 -14.130 4.829 618 HD2 ARG 2 HD2 ARG 2 4.725 -15.537 2.969 619 HD3 ARG 2 HD3 ARG 2 3.330 -16.593 3.167 620 HE ARG 2 HE ARG 2 1.914 -14.793 2.418 621 HH11 ARG 2 HH11 ARG 2 5.399 -14.038 2.171 622 HH12 ARG 2 HH12 ARG 2 5.106 -12.819 1.023 623 HH21 ARG 2 HH21 ARG 2 1.633 -13.242 0.898 624 HH22 ARG 2 HH22 ARG 2 3.021 -12.390 0.233 625 H THR 3 H THR 3 6.780 -14.279 6.902 626 HA THR 3 HA THR 3 5.418 -11.782 7.262 627 HB THR 3 HB THR 3 5.854 -12.253 9.547 628 HG1 THR 3 HG1 THR 3 8.056 -10.650 8.877 629 HG21 THR 3 HG21 THR 3 8.090 -12.817 10.445 630 HG22 THR 3 HG22 THR 3 8.725 -12.870 8.801 631 HG23 THR 3 HG23 THR 3 7.514 -14.044 9.314 632 H LYS 4 H LYS 4 5.942 -10.750 5.521 633 HA LYS 4 HA LYS 4 8.652 -9.872 5.185 634 HB2 LYS 4 HB2 LYS 4 8.229 -11.779 3.457 635 HB3 LYS 4 HB3 LYS 4 6.966 -10.751 2.788 636 HG2 LYS 4 HG2 LYS 4 8.714 -8.976 2.449 637 HG3 LYS 4 HG3 LYS 4 9.921 -10.169 2.901 638 HD2 LYS 4 HD2 LYS 4 9.186 -11.569 0.983 639 HD3 LYS 4 HD3 LYS 4 8.041 -10.309 0.527 640 HE2 LYS 4 HE2 LYS 4 11.043 -10.042 0.645 641 HE3 LYS 4 HE3 LYS 4 10.051 -10.119 -0.807 642 HZ1 LYS 4 HZ1 LYS 4 9.015 -7.986 -0.134 643 HZ2 LYS 4 HZ2 LYS 4 10.672 -7.805 -0.273 644 HZ3 LYS 4 HZ3 LYS 4 9.968 -7.957 1.238 645 H GLN 5 H GLN 5 8.390 -7.726 3.820 646 HA GLN 5 HA GLN 5 5.942 -6.532 4.741 647 HB2 GLN 5 HB2 GLN 5 6.720 -4.462 3.572 648 HB3 GLN 5 HB3 GLN 5 7.915 -5.085 4.694 649 HG2 GLN 5 HG2 GLN 5 8.034 -5.689 1.758 650 HG3 GLN 5 HG3 GLN 5 8.685 -4.191 2.394 651 HE21 GLN 5 HE21 GLN 5 10.567 -4.295 3.655 652 HE22 GLN 5 HE22 GLN 5 11.562 -5.699 3.691 653 H THR 6 H THR 6 4.067 -6.272 3.609 654 HA THR 6 HA THR 6 4.052 -6.634 0.747 655 HB THR 6 HB THR 6 2.300 -8.274 0.788 656 HG1 THR 6 HG1 THR 6 1.804 -9.143 3.066 657 HG21 THR 6 HG21 THR 6 4.314 -9.195 2.846 658 HG22 THR 6 HG22 THR 6 4.559 -9.247 1.113 659 HG23 THR 6 HG23 THR 6 3.300 -10.241 1.853 660 H ALA 7 H ALA 7 1.755 -5.890 -0.046 661 HA ALA 7 HA ALA 7 0.343 -4.243 1.876 662 HB1 ALA 7 HB1 ALA 7 0.488 -2.213 0.476 663 HB2 ALA 7 HB2 ALA 7 1.580 -3.063 -0.625 664 HB3 ALA 7 HB3 ALA 7 2.085 -2.731 1.021 665 H ARG 8 H ARG 8 -1.590 -3.224 0.625 666 HA ARG 8 HA ARG 8 -3.030 -5.418 -0.379 667 HB2 ARG 8 HB2 ARG 8 -3.778 -2.529 -0.640 668 HB3 ARG 8 HB3 ARG 8 -4.814 -3.882 -0.990 669 HG2 ARG 8 HG2 ARG 8 -4.220 -4.436 1.558 670 HG3 ARG 8 HG3 ARG 8 -4.068 -2.669 1.588 671 HD2 ARG 8 HD2 ARG 8 -6.463 -4.361 1.028 672 HD3 ARG 8 HD3 ARG 8 -6.332 -2.839 1.915 673 HE ARG 8 HE ARG 8 -6.074 -1.720 -0.265 674 HH11 ARG 8 HH11 ARG 8 -7.582 -4.979 -0.230 675 HH12 ARG 8 HH12 ARG 8 -8.271 -4.882 -1.691 676 HH21 ARG 8 HH21 ARG 8 -7.056 -1.562 -2.416 677 HH22 ARG 8 HH22 ARG 8 -7.973 -2.869 -3.023 678 H M3L 9 H M3L 9 -2.261 -2.411 -2.166 679 HA M3L 9 HA M3L 9 -1.998 -1.912 -4.279 680 HB2 M3L 9 1HB M3L 9 -1.249 -4.192 -4.968 681 HB3 M3L 9 2HB M3L 9 -2.936 -4.591 -5.269 682 HG2 M3L 9 1HG M3L 9 -1.905 -2.111 -6.524 683 HG3 M3L 9 2HG M3L 9 -3.066 -3.283 -7.135 684 HD2 M3L 9 1HD M3L 9 -0.633 -3.006 -8.117 685 HD3 M3L 9 2HD M3L 9 -0.240 -4.182 -6.856 686 HE2 M3L 9 1HE M3L 9 -2.277 -4.437 -9.041 687 HE3 M3L 9 2HE M3L 9 -2.206 -5.544 -7.687 688 HM11 M3L 9 1HM1 M3L 9 -0.421 -7.494 -10.449 689 HM12 M3L 9 2HM1 M3L 9 -1.581 -7.632 -9.146 690 HM13 M3L 9 3HM1 M3L 9 -1.930 -6.612 -10.505 691 HM21 M3L 9 1HM2 M3L 9 1.075 -7.093 -8.572 692 HM22 M3L 9 2HM2 M3L 9 0.170 -6.528 -7.158 693 HM23 M3L 9 3HM2 M3L 9 1.324 -5.514 -7.973 694 HM31 M3L 9 3HM3 M3L 9 1.262 -5.014 -10.084 695 HM32 M3L 9 1HM3 M3L 9 -0.145 -4.909 -11.119 696 HM33 M3L 9 2HM3 M3L 9 0.113 -3.766 -9.823 697 H SER 10 H SER 10 -3.363 -0.422 -4.207 698 HA SER 10 HA SER 10 -6.040 -0.732 -3.552 699 HB2 SER 10 HB2 SER 10 -6.207 1.735 -3.970 700 HB3 SER 10 HB3 SER 10 -4.941 1.252 -2.844 701 HG SER 10 HG SER 10 -3.430 1.457 -4.595 702 H THR 11 H THR 11 -5.493 1.306 -6.345 703 HA THR 11 HA THR 11 -6.801 -0.527 -8.093 704 HB THR 11 HB THR 11 -8.733 0.390 -6.802 705 HG1 THR 11 HG1 THR 11 -9.729 0.085 -8.600 706 HG21 THR 11 HG21 THR 11 -7.869 2.632 -6.303 707 HG22 THR 11 HG22 THR 11 -9.420 2.740 -7.138 708 HG23 THR 11 HG23 THR 11 -7.922 3.044 -8.018 709 H GLY 12 H GLY 12 -7.093 0.480 -10.264 710 HA2 GLY 12 HA2 GLY 12 -6.508 1.956 -11.945 711 HA3 GLY 12 HA3 GLY 12 -5.648 2.923 -10.757 712 H GLY 13 H GLY 13 -3.547 2.590 -10.407 713 HA2 GLY 13 HA2 GLY 13 -1.439 1.612 -10.712 714 HA3 GLY 13 HA3 GLY 13 -2.171 0.445 -11.815 715 H LYS 14 H LYS 14 -0.059 1.241 -12.935 716 HA LYS 14 HA LYS 14 -0.704 3.639 -14.439 717 HB2 LYS 14 HB2 LYS 14 1.584 3.603 -15.331 718 HB3 LYS 14 HB3 LYS 14 1.606 3.552 -13.582 719 HG2 LYS 14 HG2 LYS 14 2.104 1.167 -13.648 720 HG3 LYS 14 HG3 LYS 14 2.028 1.194 -15.410 721 HD2 LYS 14 HD2 LYS 14 3.874 2.896 -15.377 722 HD3 LYS 14 HD3 LYS 14 4.011 2.622 -13.639 723 HE2 LYS 14 HE2 LYS 14 4.384 0.559 -15.809 724 HE3 LYS 14 HE3 LYS 14 5.661 1.311 -14.857 725 HZ1 LYS 14 HZ1 LYS 14 5.035 -0.911 -14.073 726 HZ2 LYS 14 HZ2 LYS 14 3.486 -0.356 -13.720 727 HZ3 LYS 14 HZ3 LYS 14 4.803 0.268 -12.888 728 H ALA 15 H ALA 15 -1.833 3.442 -16.157 729 HA ALA 15 HA ALA 15 -2.328 0.922 -17.378 730 HB1 ALA 15 HB1 ALA 15 -4.083 2.610 -17.159 731 HB2 ALA 15 HB2 ALA 15 -3.831 2.171 -18.850 732 HB3 ALA 15 HB3 ALA 15 -3.182 3.688 -18.226 733 HA PRO 16 HA PRO 16 1.083 1.355 -20.312 734 HB2 PRO 16 HB2 PRO 16 0.032 -1.148 -21.435 735 HB3 PRO 16 HB3 PRO 16 1.610 -0.856 -20.678 736 HG2 PRO 16 HG2 PRO 16 -0.248 -2.365 -19.498 737 HG3 PRO 16 HG3 PRO 16 0.874 -1.342 -18.578 738 HD2 PRO 16 HD2 PRO 16 -1.992 -0.844 -19.247 739 HD3 PRO 16 HD3 PRO 16 -1.088 -0.539 -17.743 740 H ARG 17 H ARG 17 0.979 2.436 -22.196 741 HA ARG 17 HA ARG 17 -1.245 1.978 -24.003 742 HB2 ARG 17 HB2 ARG 17 -1.595 4.392 -24.299 743 HB3 ARG 17 HB3 ARG 17 -1.980 3.884 -22.661 744 HG2 ARG 17 HG2 ARG 17 -0.161 4.990 -21.746 745 HG3 ARG 17 HG3 ARG 17 0.742 4.966 -23.261 746 HD2 ARG 17 HD2 ARG 17 -1.758 6.593 -22.797 747 HD3 ARG 17 HD3 ARG 17 -0.116 7.225 -22.633 748 HE ARG 17 HE ARG 17 0.053 6.305 -25.084 749 HH11 ARG 17 HH11 ARG 17 -2.564 8.223 -23.701 750 HH12 ARG 17 HH12 ARG 17 -3.117 8.801 -25.216 751 HH21 ARG 17 HH21 ARG 17 -0.686 6.962 -27.074 752 HH22 ARG 17 HH22 ARG 17 -1.971 8.052 -27.268 753 H TYR 18 H TYR 18 -0.806 3.408 -25.998 754 HA TYR 18 HA TYR 18 2.049 3.578 -26.531 755 HB2 TYR 18 HB2 TYR 18 -0.262 3.110 -28.465 756 HB3 TYR 18 HB3 TYR 18 1.433 3.243 -28.915 757 HD1 TYR 18 HD1 TYR 18 3.014 1.425 -28.308 758 HD2 TYR 18 HD2 TYR 18 -1.168 1.067 -27.609 759 HE1 TYR 18 HE1 TYR 18 3.273 -1.004 -28.024 760 HE2 TYR 18 HE2 TYR 18 -0.918 -1.360 -27.322 761 HH TYR 18 HH TYR 18 0.628 -3.136 -27.962 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -39.767 0.887 -13.504 2 H2 MET 1 H2 MET 1 -38.234 0.308 -13.005 3 H3 MET 1 H3 MET 1 -39.075 -0.521 -14.184 4 HA MET 1 HA MET 1 -38.782 1.300 -15.706 5 HB2 MET 1 HB2 MET 1 -38.746 3.082 -13.941 6 HB3 MET 1 HB3 MET 1 -37.195 2.471 -13.391 7 HG2 MET 1 HG2 MET 1 -36.167 3.113 -15.496 8 HG3 MET 1 HG3 MET 1 -37.726 3.645 -16.117 9 HE1 MET 1 HE1 MET 1 -36.201 4.167 -12.470 10 HE2 MET 1 HE2 MET 1 -35.441 5.743 -12.680 11 HE3 MET 1 HE3 MET 1 -34.824 4.344 -13.557 12 H VAL 2 H VAL 2 -36.806 1.196 -17.026 13 HA VAL 2 HA VAL 2 -35.197 -1.034 -16.296 14 HB VAL 2 HB VAL 2 -35.835 -0.763 -18.650 15 HG11 VAL 2 HG11 VAL 2 -34.277 1.812 -18.635 16 HG12 VAL 2 HG12 VAL 2 -36.024 1.640 -18.806 17 HG13 VAL 2 HG13 VAL 2 -34.951 1.030 -20.065 18 HG21 VAL 2 HG21 VAL 2 -32.868 -0.373 -18.261 19 HG22 VAL 2 HG22 VAL 2 -33.629 -0.985 -19.728 20 HG23 VAL 2 HG23 VAL 2 -33.736 -1.907 -18.228 21 H SER 3 H SER 3 -33.445 -0.954 -15.135 22 HA SER 3 HA SER 3 -31.665 1.317 -15.196 23 HB2 SER 3 HB2 SER 3 -32.932 0.386 -12.593 24 HB3 SER 3 HB3 SER 3 -31.773 1.701 -12.789 25 HG SER 3 HG SER 3 -33.622 2.357 -14.391 26 H VAL 4 H VAL 4 -29.574 0.593 -14.771 27 HA VAL 4 HA VAL 4 -29.372 -2.279 -14.470 28 HB VAL 4 HB VAL 4 -28.218 -1.309 -16.416 29 HG11 VAL 4 HG11 VAL 4 -26.256 0.144 -16.182 30 HG12 VAL 4 HG12 VAL 4 -26.573 0.271 -14.451 31 HG13 VAL 4 HG13 VAL 4 -27.736 0.915 -15.610 32 HG21 VAL 4 HG21 VAL 4 -27.254 -3.315 -15.448 33 HG22 VAL 4 HG22 VAL 4 -26.283 -2.345 -14.343 34 HG23 VAL 4 HG23 VAL 4 -25.973 -2.276 -16.079 35 H LYS 5 H LYS 5 -28.584 -3.194 -12.775 36 HA LYS 5 HA LYS 5 -27.711 -1.490 -10.573 37 HB2 LYS 5 HB2 LYS 5 -28.726 -3.171 -9.091 38 HB3 LYS 5 HB3 LYS 5 -29.909 -2.474 -10.186 39 HG2 LYS 5 HG2 LYS 5 -29.470 -4.546 -11.654 40 HG3 LYS 5 HG3 LYS 5 -28.708 -5.226 -10.217 41 HD2 LYS 5 HD2 LYS 5 -30.886 -6.001 -10.021 42 HD3 LYS 5 HD3 LYS 5 -30.932 -4.539 -9.042 43 HE2 LYS 5 HE2 LYS 5 -31.895 -4.807 -11.907 44 HE3 LYS 5 HE3 LYS 5 -32.915 -4.707 -10.482 45 HZ1 LYS 5 HZ1 LYS 5 -32.830 -2.602 -11.618 46 HZ2 LYS 5 HZ2 LYS 5 -31.163 -2.563 -11.574 47 HZ3 LYS 5 HZ3 LYS 5 -32.045 -2.426 -10.128 48 HA PRO 6 HA PRO 6 -24.004 -4.012 -10.566 49 HB2 PRO 6 HB2 PRO 6 -24.029 -4.053 -7.618 50 HB3 PRO 6 HB3 PRO 6 -22.847 -3.291 -8.701 51 HG2 PRO 6 HG2 PRO 6 -24.496 -1.821 -7.224 52 HG3 PRO 6 HG3 PRO 6 -24.013 -1.333 -8.862 53 HD2 PRO 6 HD2 PRO 6 -26.569 -2.588 -7.964 54 HD3 PRO 6 HD3 PRO 6 -26.297 -1.261 -9.116 55 H LEU 7 H LEU 7 -23.724 -6.174 -10.676 56 HA LEU 7 HA LEU 7 -25.541 -7.813 -9.134 57 HB2 LEU 7 HB2 LEU 7 -25.427 -9.480 -10.981 58 HB3 LEU 7 HB3 LEU 7 -26.108 -7.960 -11.489 59 HG LEU 7 HG LEU 7 -23.718 -7.484 -12.413 60 HD11 LEU 7 HD11 LEU 7 -22.518 -9.474 -13.144 61 HD12 LEU 7 HD12 LEU 7 -23.646 -10.488 -12.243 62 HD13 LEU 7 HD13 LEU 7 -22.590 -9.364 -11.385 63 HD21 LEU 7 HD21 LEU 7 -24.318 -8.572 -14.528 64 HD22 LEU 7 HD22 LEU 7 -25.691 -7.745 -13.795 65 HD23 LEU 7 HD23 LEU 7 -25.560 -9.501 -13.689 66 HA PRO 8 HA PRO 8 -21.996 -9.597 -7.313 67 HB2 PRO 8 HB2 PRO 8 -22.914 -12.352 -7.431 68 HB3 PRO 8 HB3 PRO 8 -22.863 -11.267 -6.027 69 HG2 PRO 8 HG2 PRO 8 -25.180 -12.092 -7.144 70 HG3 PRO 8 HG3 PRO 8 -24.992 -10.537 -6.311 71 HD2 PRO 8 HD2 PRO 8 -25.017 -11.098 -9.244 72 HD3 PRO 8 HD3 PRO 8 -25.755 -9.757 -8.341 73 H ASP 9 H ASP 9 -20.687 -9.140 -9.219 74 HA ASP 9 HA ASP 9 -19.892 -11.331 -10.943 75 HB2 ASP 9 HB2 ASP 9 -18.404 -8.747 -10.317 76 HB3 ASP 9 HB3 ASP 9 -18.060 -9.838 -11.645 77 H ILE 10 H ILE 10 -18.994 -9.852 -8.011 78 HA ILE 10 HA ILE 10 -16.718 -11.659 -7.614 79 HB ILE 10 HB ILE 10 -17.473 -9.141 -6.079 80 HG12 ILE 10 HG12 ILE 10 -16.743 -8.579 -8.347 81 HG13 ILE 10 HG13 ILE 10 -15.540 -8.070 -7.172 82 HG21 ILE 10 HG21 ILE 10 -16.248 -10.712 -4.679 83 HG22 ILE 10 HG22 ILE 10 -15.253 -9.300 -5.041 84 HG23 ILE 10 HG23 ILE 10 -14.972 -10.820 -5.891 85 HD11 ILE 10 HD11 ILE 10 -14.183 -10.039 -7.736 86 HD12 ILE 10 HD12 ILE 10 -14.487 -9.016 -9.140 87 HD13 ILE 10 HD13 ILE 10 -15.390 -10.516 -8.932 88 H ASP 11 H ASP 11 -16.719 -13.000 -5.816 89 HA ASP 11 HA ASP 11 -19.209 -13.891 -4.859 90 HB2 ASP 11 HB2 ASP 11 -17.277 -15.397 -5.079 91 HB3 ASP 11 HB3 ASP 11 -16.409 -14.485 -3.854 92 H SER 12 H SER 12 -20.027 -13.841 -2.802 93 HA SER 12 HA SER 12 -19.451 -11.354 -1.338 94 HB2 SER 12 HB2 SER 12 -21.941 -13.068 -1.282 95 HB3 SER 12 HB3 SER 12 -21.752 -11.450 -0.595 96 HG SER 12 HG SER 12 -21.012 -11.547 -3.179 97 H ASN 13 H ASN 13 -19.138 -14.685 -1.247 98 HA ASN 13 HA ASN 13 -19.276 -15.063 1.589 99 HB2 ASN 13 HB2 ASN 13 -19.956 -16.999 0.538 100 HB3 ASN 13 HB3 ASN 13 -18.957 -16.707 -0.870 101 HD21 ASN 13 HD21 ASN 13 -16.973 -17.516 -0.946 102 HD22 ASN 13 HD22 ASN 13 -16.331 -18.674 0.191 103 H GLU 14 H GLU 14 -17.260 -16.153 2.659 104 HA GLU 14 HA GLU 14 -15.049 -14.331 2.196 105 HB2 GLU 14 HB2 GLU 14 -15.577 -16.276 4.453 106 HB3 GLU 14 HB3 GLU 14 -14.243 -15.135 4.385 107 HG2 GLU 14 HG2 GLU 14 -15.840 -13.276 4.406 108 HG3 GLU 14 HG3 GLU 14 -17.169 -14.429 4.492 109 H GLY 15 H GLY 15 -13.211 -14.952 1.364 110 HA2 GLY 15 HA2 GLY 15 -12.715 -17.822 0.975 111 HA3 GLY 15 HA3 GLY 15 -12.670 -16.728 -0.397 112 H GLU 16 H GLU 16 -10.891 -15.607 -0.802 113 HA GLU 16 HA GLU 16 -8.479 -16.336 0.715 114 HB2 GLU 16 HB2 GLU 16 -8.718 -17.090 -1.617 115 HB3 GLU 16 HB3 GLU 16 -8.964 -15.431 -2.120 116 HG2 GLU 16 HG2 GLU 16 -6.660 -14.986 -1.158 117 HG3 GLU 16 HG3 GLU 16 -6.468 -16.742 -1.141 118 H THR 17 H THR 17 -7.084 -14.603 1.343 119 HA THR 17 HA THR 17 -8.210 -11.904 0.910 120 HB THR 17 HB THR 17 -6.213 -12.671 3.040 121 HG1 THR 17 HG1 THR 17 -8.637 -13.596 2.808 122 HG21 THR 17 HG21 THR 17 -7.142 -10.695 4.193 123 HG22 THR 17 HG22 THR 17 -8.265 -10.441 2.857 124 HG23 THR 17 HG23 THR 17 -6.530 -10.257 2.597 125 H ASP 18 H ASP 18 -5.715 -14.016 0.158 126 HA ASP 18 HA ASP 18 -3.464 -12.458 -0.130 127 HB2 ASP 18 HB2 ASP 18 -4.351 -14.825 -1.795 128 HB3 ASP 18 HB3 ASP 18 -2.692 -14.271 -1.564 129 H ALA 19 H ALA 19 -6.186 -12.931 -2.240 130 HA ALA 19 HA ALA 19 -5.487 -11.589 -4.513 131 HB1 ALA 19 HB1 ALA 19 -7.853 -11.125 -4.830 132 HB2 ALA 19 HB2 ALA 19 -8.162 -11.461 -3.126 133 HB3 ALA 19 HB3 ALA 19 -7.617 -12.753 -4.195 134 H ASP 20 H ASP 20 -5.974 -10.204 -1.356 135 HA ASP 20 HA ASP 20 -5.973 -7.471 -2.488 136 HB2 ASP 20 HB2 ASP 20 -8.102 -8.153 -1.324 137 HB3 ASP 20 HB3 ASP 20 -7.177 -8.464 0.129 138 H VAL 21 H VAL 21 -3.854 -9.594 -1.403 139 HA VAL 21 HA VAL 21 -2.269 -7.545 -0.058 140 HB VAL 21 HB VAL 21 -2.588 -10.346 1.075 141 HG11 VAL 21 HG11 VAL 21 -1.081 -9.610 2.880 142 HG12 VAL 21 HG12 VAL 21 -0.862 -8.070 2.048 143 HG13 VAL 21 HG13 VAL 21 -0.297 -9.563 1.300 144 HG21 VAL 21 HG21 VAL 21 -3.380 -7.708 2.311 145 HG22 VAL 21 HG22 VAL 21 -3.498 -9.291 3.093 146 HG23 VAL 21 HG23 VAL 21 -4.468 -8.931 1.658 147 H TYR 22 H TYR 22 -0.559 -7.376 -1.242 148 HA TYR 22 HA TYR 22 0.603 -9.773 -2.469 149 HB2 TYR 22 HB2 TYR 22 0.617 -6.934 -3.470 150 HB3 TYR 22 HB3 TYR 22 1.616 -8.210 -4.152 151 HD1 TYR 22 HD1 TYR 22 -1.780 -6.905 -3.823 152 HD2 TYR 22 HD2 TYR 22 0.628 -9.990 -5.469 153 HE1 TYR 22 HE1 TYR 22 -3.630 -7.541 -5.315 154 HE2 TYR 22 HE2 TYR 22 -1.208 -10.638 -6.962 155 HH TYR 22 HH TYR 22 -3.796 -10.376 -6.918 156 H GLU 23 H GLU 23 2.953 -9.661 -2.820 157 HA GLU 23 HA GLU 23 4.250 -8.984 -0.414 158 HB2 GLU 23 HB2 GLU 23 5.087 -10.145 -2.953 159 HB3 GLU 23 HB3 GLU 23 6.300 -9.430 -1.877 160 HG2 GLU 23 HG2 GLU 23 5.700 -10.884 -0.155 161 HG3 GLU 23 HG3 GLU 23 4.368 -11.549 -1.109 162 H VAL 24 H VAL 24 5.667 -7.654 -0.007 163 HA VAL 24 HA VAL 24 6.005 -5.355 -1.796 164 HB VAL 24 HB VAL 24 6.278 -5.454 1.228 165 HG11 VAL 24 HG11 VAL 24 6.786 -3.053 1.088 166 HG12 VAL 24 HG12 VAL 24 6.815 -3.160 -0.674 167 HG13 VAL 24 HG13 VAL 24 8.033 -4.009 0.283 168 HG21 VAL 24 HG21 VAL 24 4.458 -3.972 -0.635 169 HG22 VAL 24 HG22 VAL 24 4.500 -3.775 1.111 170 HG23 VAL 24 HG23 VAL 24 4.018 -5.321 0.408 171 H GLU 25 H GLU 25 7.804 -5.456 -2.941 172 HA GLU 25 HA GLU 25 10.046 -6.977 -2.034 173 HB2 GLU 25 HB2 GLU 25 9.281 -6.168 -4.481 174 HB3 GLU 25 HB3 GLU 25 10.339 -4.822 -4.083 175 HG2 GLU 25 HG2 GLU 25 11.627 -6.403 -5.285 176 HG3 GLU 25 HG3 GLU 25 12.134 -6.497 -3.594 177 H ASP 26 H ASP 26 9.473 -3.460 -2.632 178 HA ASP 26 HA ASP 26 10.233 -2.566 -0.130 179 HB2 ASP 26 HB2 ASP 26 12.564 -3.375 -1.075 180 HB3 ASP 26 HB3 ASP 26 12.476 -1.924 -2.070 181 H ILE 27 H ILE 27 11.064 -0.043 -0.553 182 HA ILE 27 HA ILE 27 8.783 1.075 -2.050 183 HB ILE 27 HB ILE 27 10.612 2.652 -0.231 184 HG12 ILE 27 HG12 ILE 27 9.918 0.728 1.163 185 HG13 ILE 27 HG13 ILE 27 9.183 2.220 1.723 186 HG21 ILE 27 HG21 ILE 27 7.689 2.960 -0.912 187 HG22 ILE 27 HG22 ILE 27 9.021 3.895 -1.575 188 HG23 ILE 27 HG23 ILE 27 8.613 4.034 0.133 189 HD11 ILE 27 HD11 ILE 27 7.085 1.567 0.648 190 HD12 ILE 27 HD12 ILE 27 7.624 0.380 1.833 191 HD13 ILE 27 HD13 ILE 27 7.839 0.067 0.109 192 H LEU 28 H LEU 28 9.243 2.563 -3.669 193 HA LEU 28 HA LEU 28 12.075 2.847 -4.357 194 HB2 LEU 28 HB2 LEU 28 9.672 2.977 -6.163 195 HB3 LEU 28 HB3 LEU 28 11.320 3.269 -6.685 196 HG LEU 28 HG LEU 28 10.225 0.661 -5.622 197 HD11 LEU 28 HD11 LEU 28 10.626 -0.152 -7.884 198 HD12 LEU 28 HD12 LEU 28 11.111 1.471 -8.376 199 HD13 LEU 28 HD13 LEU 28 9.454 1.165 -7.857 200 HD21 LEU 28 HD21 LEU 28 12.990 1.351 -6.620 201 HD22 LEU 28 HD22 LEU 28 12.411 -0.274 -6.267 202 HD23 LEU 28 HD23 LEU 28 12.556 0.905 -4.968 203 H ALA 29 H ALA 29 9.218 4.672 -3.629 204 HA ALA 29 HA ALA 29 10.694 7.021 -3.145 205 HB1 ALA 29 HB1 ALA 29 10.675 7.226 -5.602 206 HB2 ALA 29 HB2 ALA 29 9.699 8.492 -4.852 207 HB3 ALA 29 HB3 ALA 29 8.915 7.098 -5.595 208 H ASP 30 H ASP 30 8.957 8.929 -2.907 209 HA ASP 30 HA ASP 30 6.455 7.872 -1.868 210 HB2 ASP 30 HB2 ASP 30 6.698 9.117 0.241 211 HB3 ASP 30 HB3 ASP 30 7.961 7.913 0.044 212 H ARG 31 H ARG 31 4.877 9.551 -1.378 213 HA ARG 31 HA ARG 31 5.157 12.223 -2.406 214 HB2 ARG 31 HB2 ARG 31 3.442 10.213 -3.909 215 HB3 ARG 31 HB3 ARG 31 3.189 11.939 -4.008 216 HG2 ARG 31 HG2 ARG 31 5.620 10.422 -4.939 217 HG3 ARG 31 HG3 ARG 31 4.358 11.114 -5.955 218 HD2 ARG 31 HD2 ARG 31 4.963 13.356 -5.111 219 HD3 ARG 31 HD3 ARG 31 6.269 12.629 -4.179 220 HE ARG 31 HE ARG 31 6.087 12.860 -7.078 221 HH11 ARG 31 HH11 ARG 31 7.978 11.780 -4.290 222 HH12 ARG 31 HH12 ARG 31 9.498 11.929 -5.029 223 HH21 ARG 31 HH21 ARG 31 8.207 13.042 -8.172 224 HH22 ARG 31 HH22 ARG 31 9.627 12.659 -7.325 225 H VAL 32 H VAL 32 2.886 13.266 -2.391 226 HA VAL 32 HA VAL 32 1.105 12.122 -0.412 227 HB VAL 32 HB VAL 32 2.101 15.010 -0.358 228 HG11 VAL 32 HG11 VAL 32 -0.207 14.810 0.374 229 HG12 VAL 32 HG12 VAL 32 0.838 15.219 1.736 230 HG13 VAL 32 HG13 VAL 32 0.253 13.568 1.539 231 HG21 VAL 32 HG21 VAL 32 3.849 13.526 0.486 232 HG22 VAL 32 HG22 VAL 32 2.701 12.790 1.603 233 HG23 VAL 32 HG23 VAL 32 3.161 14.482 1.801 234 H ASN 33 H ASN 33 -1.017 12.653 -0.876 235 HA ASN 33 HA ASN 33 -1.595 13.639 -3.561 236 HB2 ASN 33 HB2 ASN 33 -3.445 12.879 -1.281 237 HB3 ASN 33 HB3 ASN 33 -3.983 13.359 -2.870 238 HD21 ASN 33 HD21 ASN 33 -2.612 10.875 -0.920 239 HD22 ASN 33 HD22 ASN 33 -2.812 9.594 -1.991 240 H LYS 34 H LYS 34 -3.507 15.173 -3.673 241 HA LYS 34 HA LYS 34 -3.028 17.561 -2.095 242 HB2 LYS 34 HB2 LYS 34 -3.412 17.768 -4.513 243 HB3 LYS 34 HB3 LYS 34 -4.917 16.898 -4.395 244 HG2 LYS 34 HG2 LYS 34 -4.515 19.603 -3.095 245 HG3 LYS 34 HG3 LYS 34 -5.001 19.441 -4.778 246 HD2 LYS 34 HD2 LYS 34 -6.532 18.300 -2.419 247 HD3 LYS 34 HD3 LYS 34 -6.910 19.830 -3.206 248 HE2 LYS 34 HE2 LYS 34 -7.461 18.702 -5.261 249 HE3 LYS 34 HE3 LYS 34 -6.885 17.161 -4.635 250 HZ1 LYS 34 HZ1 LYS 34 -9.173 18.652 -3.457 251 HZ2 LYS 34 HZ2 LYS 34 -8.673 17.051 -3.123 252 HZ3 LYS 34 HZ3 LYS 34 -9.322 17.429 -4.614 253 H ASN 35 H ASN 35 -5.080 14.860 -2.212 254 HA ASN 35 HA ASN 35 -7.248 15.948 -0.728 255 HB2 ASN 35 HB2 ASN 35 -6.585 13.062 -1.315 256 HB3 ASN 35 HB3 ASN 35 -8.042 13.587 -0.481 257 HD21 ASN 35 HD21 ASN 35 -7.799 12.160 -2.985 258 HD22 ASN 35 HD22 ASN 35 -8.581 13.122 -4.176 259 H GLY 36 H GLY 36 -4.181 14.750 0.232 260 HA2 GLY 36 HA2 GLY 36 -3.466 15.356 2.445 261 HA3 GLY 36 HA3 GLY 36 -5.090 15.011 3.017 262 H ILE 37 H ILE 37 -3.754 12.776 0.797 263 HA ILE 37 HA ILE 37 -3.188 10.940 3.014 264 HB ILE 37 HB ILE 37 -4.115 10.146 0.205 265 HG12 ILE 37 HG12 ILE 37 -6.138 9.206 1.558 266 HG13 ILE 37 HG13 ILE 37 -5.601 10.363 2.772 267 HG21 ILE 37 HG21 ILE 37 -3.732 8.498 2.677 268 HG22 ILE 37 HG22 ILE 37 -2.703 8.499 1.233 269 HG23 ILE 37 HG23 ILE 37 -4.381 7.926 1.133 270 HD11 ILE 37 HD11 ILE 37 -7.427 11.236 1.416 271 HD12 ILE 37 HD12 ILE 37 -6.432 11.020 -0.028 272 HD13 ILE 37 HD13 ILE 37 -5.946 12.180 1.213 273 H ASN 38 H ASN 38 -1.235 9.752 2.896 274 HA ASN 38 HA ASN 38 0.671 10.718 0.974 275 HB2 ASN 38 HB2 ASN 38 2.259 9.527 2.565 276 HB3 ASN 38 HB3 ASN 38 1.418 10.927 3.212 277 HD21 ASN 38 HD21 ASN 38 2.624 8.721 4.637 278 HD22 ASN 38 HD22 ASN 38 1.376 8.029 5.580 279 H GLU 39 H GLU 39 1.975 9.280 -0.246 280 HA GLU 39 HA GLU 39 0.852 6.579 -0.733 281 HB2 GLU 39 HB2 GLU 39 1.609 8.562 -2.888 282 HB3 GLU 39 HB3 GLU 39 0.900 6.979 -3.104 283 HG2 GLU 39 HG2 GLU 39 -0.461 9.381 -1.920 284 HG3 GLU 39 HG3 GLU 39 -0.658 8.787 -3.565 285 H TYR 40 H TYR 40 2.460 5.175 -1.588 286 HA TYR 40 HA TYR 40 5.144 6.342 -1.927 287 HB2 TYR 40 HB2 TYR 40 4.543 3.765 -0.469 288 HB3 TYR 40 HB3 TYR 40 6.127 4.502 -0.694 289 HD1 TYR 40 HD1 TYR 40 6.731 6.492 0.554 290 HD2 TYR 40 HD2 TYR 40 3.023 4.575 1.152 291 HE1 TYR 40 HE1 TYR 40 6.435 7.764 2.630 292 HE2 TYR 40 HE2 TYR 40 2.706 5.834 3.266 293 HH TYR 40 HH TYR 40 4.051 7.053 4.955 294 H TYR 41 H TYR 41 6.449 5.226 -3.351 295 HA TYR 41 HA TYR 41 5.051 3.770 -5.418 296 HB2 TYR 41 HB2 TYR 41 6.915 5.600 -5.648 297 HB3 TYR 41 HB3 TYR 41 8.023 4.284 -5.323 298 HD1 TYR 41 HD1 TYR 41 4.983 3.717 -7.363 299 HD2 TYR 41 HD2 TYR 41 9.146 4.628 -7.451 300 HE1 TYR 41 HE1 TYR 41 5.020 3.310 -9.771 301 HE2 TYR 41 HE2 TYR 41 9.182 4.202 -9.868 302 HH TYR 41 HH TYR 41 6.283 3.827 -11.697 303 H ILE 42 H ILE 42 4.607 1.722 -4.753 304 HA ILE 42 HA ILE 42 6.625 0.232 -3.215 305 HB ILE 42 HB ILE 42 3.797 -0.639 -3.834 306 HG12 ILE 42 HG12 ILE 42 3.687 1.508 -2.620 307 HG13 ILE 42 HG13 ILE 42 3.122 0.180 -1.618 308 HG21 ILE 42 HG21 ILE 42 5.745 -1.484 -1.692 309 HG22 ILE 42 HG22 ILE 42 5.295 -2.413 -3.121 310 HG23 ILE 42 HG23 ILE 42 4.095 -2.084 -1.871 311 HD11 ILE 42 HD11 ILE 42 4.465 1.716 -0.336 312 HD12 ILE 42 HD12 ILE 42 5.804 1.526 -1.467 313 HD13 ILE 42 HD13 ILE 42 5.288 0.164 -0.472 314 H LYS 43 H LYS 43 7.774 -1.412 -4.179 315 HA LYS 43 HA LYS 43 6.749 -2.318 -6.730 316 HB2 LYS 43 HB2 LYS 43 9.231 -1.730 -6.623 317 HB3 LYS 43 HB3 LYS 43 9.446 -3.137 -5.591 318 HG2 LYS 43 HG2 LYS 43 8.229 -3.396 -8.353 319 HG3 LYS 43 HG3 LYS 43 9.970 -3.394 -8.117 320 HD2 LYS 43 HD2 LYS 43 9.867 -5.424 -6.841 321 HD3 LYS 43 HD3 LYS 43 8.115 -5.321 -6.710 322 HE2 LYS 43 HE2 LYS 43 9.503 -5.619 -9.373 323 HE3 LYS 43 HE3 LYS 43 9.088 -7.012 -8.383 324 HZ1 LYS 43 HZ1 LYS 43 7.030 -5.041 -9.428 325 HZ2 LYS 43 HZ2 LYS 43 6.743 -6.326 -8.490 326 HZ3 LYS 43 HZ3 LYS 43 7.301 -6.578 -10.025 327 H TRP 44 H TRP 44 5.257 -3.713 -6.563 328 HA TRP 44 HA TRP 44 5.087 -5.459 -4.336 329 HB2 TRP 44 HB2 TRP 44 3.481 -5.364 -6.876 330 HB3 TRP 44 HB3 TRP 44 3.043 -6.227 -5.402 331 HD1 TRP 44 HD1 TRP 44 2.946 -2.793 -6.989 332 HE1 TRP 44 HE1 TRP 44 1.751 -1.168 -5.406 333 HE3 TRP 44 HE3 TRP 44 2.662 -5.794 -2.904 334 HZ2 TRP 44 HZ2 TRP 44 0.834 -1.182 -2.670 335 HZ3 TRP 44 HZ3 TRP 44 1.620 -4.939 -0.883 336 HH2 TRP 44 HH2 TRP 44 0.719 -2.672 -0.778 337 H ALA 45 H ALA 45 5.873 -7.377 -4.183 338 HA ALA 45 HA ALA 45 7.186 -8.600 -6.469 339 HB1 ALA 45 HB1 ALA 45 8.121 -10.177 -4.853 340 HB2 ALA 45 HB2 ALA 45 7.133 -9.472 -3.581 341 HB3 ALA 45 HB3 ALA 45 8.409 -8.516 -4.335 342 H GLY 46 H GLY 46 6.787 -10.899 -6.868 343 HA2 GLY 46 HA2 GLY 46 5.323 -12.733 -6.961 344 HA3 GLY 46 HA3 GLY 46 4.110 -11.776 -6.108 345 H TYR 47 H TYR 47 4.688 -9.484 -7.922 346 HA TYR 47 HA TYR 47 3.049 -10.433 -10.164 347 HB2 TYR 47 HB2 TYR 47 2.528 -8.270 -8.569 348 HB3 TYR 47 HB3 TYR 47 3.434 -7.511 -9.885 349 HD1 TYR 47 HD1 TYR 47 1.161 -10.175 -9.955 350 HD2 TYR 47 HD2 TYR 47 1.948 -6.419 -11.181 351 HE1 TYR 47 HE1 TYR 47 -0.948 -10.252 -11.356 352 HE2 TYR 47 HE2 TYR 47 -0.018 -6.363 -12.661 353 HH TYR 47 HH TYR 47 -1.503 -8.010 -13.797 354 H ASP 48 H ASP 48 3.354 -8.924 -11.930 355 HA ASP 48 HA ASP 48 5.864 -9.348 -13.160 356 HB2 ASP 48 HB2 ASP 48 3.988 -8.942 -14.595 357 HB3 ASP 48 HB3 ASP 48 3.735 -7.331 -13.905 358 H TRP 49 H TRP 49 7.509 -7.955 -13.756 359 HA TRP 49 HA TRP 49 8.546 -6.525 -11.543 360 HB2 TRP 49 HB2 TRP 49 9.559 -6.627 -14.381 361 HB3 TRP 49 HB3 TRP 49 10.469 -6.071 -12.978 362 HD1 TRP 49 HD1 TRP 49 9.242 -9.232 -14.696 363 HE1 TRP 49 HE1 TRP 49 10.366 -11.269 -13.616 364 HE3 TRP 49 HE3 TRP 49 11.472 -6.907 -10.724 365 HZ2 TRP 49 HZ2 TRP 49 11.992 -11.827 -11.363 366 HZ3 TRP 49 HZ3 TRP 49 12.789 -8.266 -9.150 367 HH2 TRP 49 HH2 TRP 49 13.042 -10.672 -9.464 368 H TYR 50 H TYR 50 6.652 -5.477 -14.283 369 HA TYR 50 HA TYR 50 7.442 -2.700 -13.916 370 HB2 TYR 50 HB2 TYR 50 5.754 -4.019 -16.055 371 HB3 TYR 50 HB3 TYR 50 6.213 -2.322 -16.020 372 HD1 TYR 50 HD2 TYR 50 8.639 -1.716 -16.272 373 HD2 TYR 50 HD1 TYR 50 7.217 -5.671 -16.928 374 HE1 TYR 50 HE2 TYR 50 10.692 -2.242 -17.514 375 HE2 TYR 50 HE1 TYR 50 9.268 -6.210 -18.172 376 HH TYR 50 HH TYR 50 12.014 -4.245 -18.110 377 H ASP 51 H ASP 51 5.656 -4.307 -12.044 378 HA ASP 51 HA ASP 51 2.997 -3.279 -12.545 379 HB2 ASP 51 HB2 ASP 51 2.284 -4.666 -10.925 380 HB3 ASP 51 HB3 ASP 51 3.600 -5.633 -11.629 381 H ASN 52 H ASN 52 5.694 -2.406 -10.743 382 HA ASN 52 HA ASN 52 4.747 -1.509 -8.333 383 HB2 ASN 52 HB2 ASN 52 6.707 -0.104 -8.129 384 HB3 ASN 52 HB3 ASN 52 7.135 -1.618 -8.892 385 HD21 ASN 52 HD21 ASN 52 5.993 -0.498 -11.547 386 HD22 ASN 52 HD22 ASN 52 7.257 0.565 -12.058 387 H THR 53 H THR 53 3.829 0.256 -7.484 388 HA THR 53 HA THR 53 3.094 2.461 -9.168 389 HB THR 53 HB THR 53 1.362 0.802 -9.741 390 HG1 THR 53 HG1 THR 53 -0.263 2.320 -8.167 391 HG21 THR 53 HG21 THR 53 -0.220 -0.033 -8.031 392 HG22 THR 53 HG22 THR 53 0.753 0.740 -6.777 393 HG23 THR 53 HG23 THR 53 1.429 -0.582 -7.724 394 H TRP 54 H TRP 54 1.516 3.826 -7.753 395 HA TRP 54 HA TRP 54 2.843 4.169 -5.172 396 HB2 TRP 54 HB2 TRP 54 0.858 5.974 -6.594 397 HB3 TRP 54 HB3 TRP 54 1.806 6.380 -5.169 398 HD1 TRP 54 HD1 TRP 54 2.121 5.946 -8.954 399 HE1 TRP 54 HE1 TRP 54 4.294 7.044 -9.738 400 HE3 TRP 54 HE3 TRP 54 4.151 7.074 -4.398 401 HZ2 TRP 54 HZ2 TRP 54 6.571 8.254 -8.594 402 HZ3 TRP 54 HZ3 TRP 54 6.329 8.204 -4.339 403 HH2 TRP 54 HH2 TRP 54 7.514 8.780 -6.390 404 H GLU 55 H GLU 55 1.747 3.698 -3.336 405 HA GLU 55 HA GLU 55 -1.116 3.294 -3.516 406 HB2 GLU 55 HB2 GLU 55 0.964 1.348 -2.527 407 HB3 GLU 55 HB3 GLU 55 -0.695 1.279 -1.946 408 HG2 GLU 55 HG2 GLU 55 0.051 1.154 -4.851 409 HG3 GLU 55 HG3 GLU 55 -0.185 -0.289 -3.881 410 HA PRO 56 HA PRO 56 -0.934 5.725 0.126 411 HB2 PRO 56 HB2 PRO 56 -3.183 4.319 1.340 412 HB3 PRO 56 HB3 PRO 56 -3.135 5.958 0.666 413 HG2 PRO 56 HG2 PRO 56 -4.512 3.957 -0.492 414 HG3 PRO 56 HG3 PRO 56 -3.792 5.302 -1.398 415 HD2 PRO 56 HD2 PRO 56 -2.826 2.506 -1.110 416 HD3 PRO 56 HD3 PRO 56 -2.767 3.600 -2.509 417 H GLU 57 H GLU 57 -0.517 5.723 2.337 418 HA GLU 57 HA GLU 57 1.133 3.683 3.314 419 HB2 GLU 57 HB2 GLU 57 1.050 6.142 4.046 420 HB3 GLU 57 HB3 GLU 57 -0.311 5.672 5.015 421 HG2 GLU 57 HG2 GLU 57 0.926 4.334 6.443 422 HG3 GLU 57 HG3 GLU 57 2.290 4.240 5.326 423 H GLN 58 H GLN 58 -2.201 4.107 3.489 424 HA GLN 58 HA GLN 58 -3.023 2.572 5.682 425 HB2 GLN 58 HB2 GLN 58 -4.364 2.833 2.992 426 HB3 GLN 58 HB3 GLN 58 -5.140 2.339 4.486 427 HG2 GLN 58 HG2 GLN 58 -4.805 4.525 5.441 428 HG3 GLN 58 HG3 GLN 58 -3.870 5.031 4.034 429 HE21 GLN 58 HE21 GLN 58 -5.258 6.717 3.551 430 HE22 GLN 58 HE22 GLN 58 -6.840 6.434 2.916 431 H ASN 59 H ASN 59 -1.768 1.600 2.556 432 HA ASN 59 HA ASN 59 -2.656 -1.137 2.855 433 HB2 ASN 59 HB2 ASN 59 -1.085 0.303 0.751 434 HB3 ASN 59 HB3 ASN 59 -1.176 -1.446 0.789 435 HD21 ASN 59 HD21 ASN 59 -3.897 0.774 1.537 436 HD22 ASN 59 HD22 ASN 59 -4.762 0.253 0.114 437 H LEU 60 H LEU 60 -0.077 0.671 4.046 438 HA LEU 60 HA LEU 60 1.978 -1.308 3.511 439 HB2 LEU 60 HB2 LEU 60 2.027 1.523 4.415 440 HB3 LEU 60 HB3 LEU 60 3.387 0.500 4.814 441 HG LEU 60 HG LEU 60 3.765 0.072 2.432 442 HD11 LEU 60 HD11 LEU 60 1.572 2.086 1.946 443 HD12 LEU 60 HD12 LEU 60 1.502 0.367 1.573 444 HD13 LEU 60 HD13 LEU 60 2.639 1.406 0.718 445 HD21 LEU 60 HD21 LEU 60 4.978 1.821 3.500 446 HD22 LEU 60 HD22 LEU 60 3.668 2.966 3.208 447 HD23 LEU 60 HD23 LEU 60 4.585 2.306 1.853 448 H PHE 61 H PHE 61 -0.159 -1.703 5.548 449 HA PHE 61 HA PHE 61 0.694 -1.498 8.173 450 HB2 PHE 61 HB2 PHE 61 -0.932 -3.230 8.728 451 HB3 PHE 61 HB3 PHE 61 -1.586 -2.194 7.469 452 HD1 PHE 61 HD2 PHE 61 -1.683 -3.050 5.105 453 HD2 PHE 61 HD1 PHE 61 -0.660 -5.557 8.389 454 HE1 PHE 61 HE2 PHE 61 -2.165 -5.040 3.739 455 HE2 PHE 61 HE1 PHE 61 -1.136 -7.546 7.025 456 HZ PHE 61 HZ PHE 61 -1.889 -7.287 4.696 457 H GLY 62 H GLY 62 1.684 -3.931 5.818 458 HA2 GLY 62 HA2 GLY 62 3.179 -5.390 7.879 459 HA3 GLY 62 HA3 GLY 62 2.857 -5.958 6.246 460 H ALA 63 H ALA 63 3.645 -3.123 5.394 461 HA ALA 63 HA ALA 63 6.488 -3.808 5.014 462 HB1 ALA 63 HB1 ALA 63 5.125 -3.494 3.012 463 HB2 ALA 63 HB2 ALA 63 6.410 -2.288 3.145 464 HB3 ALA 63 HB3 ALA 63 4.743 -1.845 3.530 465 H GLU 64 H GLU 64 5.409 -2.595 7.465 466 HA GLU 64 HA GLU 64 6.021 0.112 7.462 467 HB2 GLU 64 HB2 GLU 64 6.071 0.011 9.896 468 HB3 GLU 64 HB3 GLU 64 4.655 -0.733 9.196 469 HG2 GLU 64 HG2 GLU 64 5.233 -1.953 10.957 470 HG3 GLU 64 HG3 GLU 64 5.764 -2.958 9.609 471 H LYS 65 H LYS 65 7.946 -2.654 7.920 472 HA LYS 65 HA LYS 65 10.211 -1.407 9.019 473 HB2 LYS 65 HB2 LYS 65 9.605 -3.849 9.122 474 HB3 LYS 65 HB3 LYS 65 10.172 -3.980 7.473 475 HG2 LYS 65 HG2 LYS 65 12.388 -3.584 8.058 476 HG3 LYS 65 HG3 LYS 65 11.948 -2.910 9.625 477 HD2 LYS 65 HD2 LYS 65 11.423 -5.791 8.896 478 HD3 LYS 65 HD3 LYS 65 12.938 -5.263 9.616 479 HE2 LYS 65 HE2 LYS 65 11.525 -6.117 11.382 480 HE3 LYS 65 HE3 LYS 65 11.645 -4.379 11.570 481 HZ1 LYS 65 HZ1 LYS 65 9.283 -5.769 10.353 482 HZ2 LYS 65 HZ2 LYS 65 9.344 -4.136 10.762 483 HZ3 LYS 65 HZ3 LYS 65 9.384 -5.276 11.943 484 H VAL 66 H VAL 66 9.501 -2.386 5.693 485 HA VAL 66 HA VAL 66 11.919 -1.337 4.686 486 HB VAL 66 HB VAL 66 10.751 -1.420 2.400 487 HG11 VAL 66 HG11 VAL 66 12.131 -3.247 3.237 488 HG12 VAL 66 HG12 VAL 66 10.748 -3.865 2.336 489 HG13 VAL 66 HG13 VAL 66 10.743 -3.904 4.100 490 HG21 VAL 66 HG21 VAL 66 8.668 -2.641 2.270 491 HG22 VAL 66 HG22 VAL 66 8.473 -1.145 3.191 492 HG23 VAL 66 HG23 VAL 66 8.574 -2.692 4.029 493 H LEU 67 H LEU 67 8.795 0.052 5.300 494 HA LEU 67 HA LEU 67 9.244 2.521 4.033 495 HB2 LEU 67 HB2 LEU 67 7.017 1.706 4.690 496 HB3 LEU 67 HB3 LEU 67 7.467 1.827 6.374 497 HG LEU 67 HG LEU 67 7.616 4.273 6.164 498 HD11 LEU 67 HD11 LEU 67 6.649 3.816 3.343 499 HD12 LEU 67 HD12 LEU 67 8.246 4.412 3.804 500 HD13 LEU 67 HD13 LEU 67 6.821 5.385 4.130 501 HD21 LEU 67 HD21 LEU 67 5.210 4.686 5.884 502 HD22 LEU 67 HD22 LEU 67 5.522 3.250 6.861 503 HD23 LEU 67 HD23 LEU 67 5.028 3.079 5.177 504 H LYS 68 H LYS 68 9.734 1.406 7.378 505 HA LYS 68 HA LYS 68 10.763 3.754 8.524 506 HB2 LYS 68 HB2 LYS 68 11.704 0.929 9.133 507 HB3 LYS 68 HB3 LYS 68 11.929 2.328 10.161 508 HG2 LYS 68 HG2 LYS 68 9.277 1.076 9.462 509 HG3 LYS 68 HG3 LYS 68 10.169 0.817 10.955 510 HD2 LYS 68 HD2 LYS 68 9.881 3.119 11.582 511 HD3 LYS 68 HD3 LYS 68 9.174 3.502 10.012 512 HE2 LYS 68 HE2 LYS 68 7.467 3.257 11.790 513 HE3 LYS 68 HE3 LYS 68 7.258 2.107 10.475 514 HZ1 LYS 68 HZ1 LYS 68 8.596 1.413 13.057 515 HZ2 LYS 68 HZ2 LYS 68 8.104 0.348 11.822 516 HZ3 LYS 68 HZ3 LYS 68 6.972 1.130 12.713 517 H LYS 69 H LYS 69 12.367 1.226 6.681 518 HA LYS 69 HA LYS 69 15.007 2.169 6.889 519 HB2 LYS 69 HB2 LYS 69 14.397 -0.028 5.895 520 HB3 LYS 69 HB3 LYS 69 13.741 0.815 4.499 521 HG2 LYS 69 HG2 LYS 69 16.040 1.816 4.175 522 HG3 LYS 69 HG3 LYS 69 16.609 0.690 5.397 523 HD2 LYS 69 HD2 LYS 69 17.104 -0.371 3.363 524 HD3 LYS 69 HD3 LYS 69 15.618 -1.148 3.895 525 HE2 LYS 69 HE2 LYS 69 15.670 1.157 1.936 526 HE3 LYS 69 HE3 LYS 69 15.755 -0.522 1.434 527 HZ1 LYS 69 HZ1 LYS 69 13.374 0.668 2.884 528 HZ2 LYS 69 HZ2 LYS 69 13.590 -0.912 2.215 529 HZ3 LYS 69 HZ3 LYS 69 13.543 0.312 1.248 530 H TRP 70 H TRP 70 12.493 2.793 4.499 531 HA TRP 70 HA TRP 70 14.011 4.485 2.868 532 HB2 TRP 70 HB2 TRP 70 12.095 3.332 1.963 533 HB3 TRP 70 HB3 TRP 70 11.023 4.094 3.131 534 HD1 TRP 70 HD1 TRP 70 9.992 6.334 2.489 535 HE1 TRP 70 HE1 TRP 70 10.198 7.960 0.533 536 HE3 TRP 70 HE3 TRP 70 13.903 4.114 0.105 537 HZ2 TRP 70 HZ2 TRP 70 11.820 8.220 -1.799 538 HZ3 TRP 70 HZ3 TRP 70 14.721 5.100 -1.995 539 HH2 TRP 70 HH2 TRP 70 13.698 7.109 -2.925 540 H LYS 71 H LYS 71 11.352 5.333 5.104 541 HA LYS 71 HA LYS 71 11.817 8.080 4.765 542 HB2 LYS 71 HB2 LYS 71 9.817 6.555 6.070 543 HB3 LYS 71 HB3 LYS 71 10.367 7.819 7.171 544 HG2 LYS 71 HG2 LYS 71 8.494 8.677 5.843 545 HG3 LYS 71 HG3 LYS 71 9.990 9.472 5.326 546 HD2 LYS 71 HD2 LYS 71 10.168 8.055 3.462 547 HD3 LYS 71 HD3 LYS 71 8.735 7.145 3.967 548 HE2 LYS 71 HE2 LYS 71 8.195 8.718 2.220 549 HE3 LYS 71 HE3 LYS 71 7.396 9.155 3.729 550 HZ1 LYS 71 HZ1 LYS 71 8.528 10.935 2.277 551 HZ2 LYS 71 HZ2 LYS 71 9.974 10.504 3.028 552 HZ3 LYS 71 HZ3 LYS 71 8.675 11.048 3.937 553 H LYS 72 H LYS 72 13.337 5.925 6.941 554 HA LYS 72 HA LYS 72 14.252 8.229 8.404 555 HB2 LYS 72 HB2 LYS 72 15.224 5.386 8.697 556 HB3 LYS 72 HB3 LYS 72 15.788 6.736 9.667 557 HG2 LYS 72 HG2 LYS 72 13.089 5.421 9.664 558 HG3 LYS 72 HG3 LYS 72 14.194 5.681 11.015 559 HD2 LYS 72 HD2 LYS 72 12.731 7.793 9.488 560 HD3 LYS 72 HD3 LYS 72 12.246 7.199 11.079 561 HE2 LYS 72 HE2 LYS 72 14.245 8.126 12.082 562 HE3 LYS 72 HE3 LYS 72 14.913 8.527 10.502 563 HZ1 LYS 72 HZ1 LYS 72 12.482 9.741 11.706 564 HZ2 LYS 72 HZ2 LYS 72 13.129 10.097 10.182 565 HZ3 LYS 72 HZ3 LYS 72 14.009 10.473 11.574 566 H ARG 73 H ARG 73 15.409 6.365 5.752 567 HA ARG 73 HA ARG 73 17.973 7.687 5.935 568 HB2 ARG 73 HB2 ARG 73 16.806 5.522 4.308 569 HB3 ARG 73 HB3 ARG 73 18.032 6.495 3.514 570 HG2 ARG 73 HG2 ARG 73 18.774 4.352 4.723 571 HG3 ARG 73 HG3 ARG 73 19.710 5.814 4.970 572 HD2 ARG 73 HD2 ARG 73 19.411 4.561 7.057 573 HD3 ARG 73 HD3 ARG 73 18.665 6.140 7.161 574 HE ARG 73 HE ARG 73 16.510 4.868 6.686 575 HH11 ARG 73 HH11 ARG 73 19.235 3.368 8.379 576 HH12 ARG 73 HH12 ARG 73 18.292 2.404 9.411 577 HH21 ARG 73 HH21 ARG 73 15.152 3.559 8.151 578 HH22 ARG 73 HH22 ARG 73 15.888 2.520 9.268 579 H LYS 74 H LYS 74 14.964 8.100 4.230 580 HA LYS 74 HA LYS 74 15.892 10.775 3.459 581 HB2 LYS 74 HB2 LYS 74 15.781 9.304 1.451 582 HB3 LYS 74 HB3 LYS 74 14.044 9.157 1.773 583 HG2 LYS 74 HG2 LYS 74 13.891 11.624 1.844 584 HG3 LYS 74 HG3 LYS 74 15.575 11.706 1.349 585 HD2 LYS 74 HD2 LYS 74 14.286 12.063 -0.471 586 HD3 LYS 74 HD3 LYS 74 14.972 10.430 -0.620 587 HE2 LYS 74 HE2 LYS 74 12.597 10.422 -1.320 588 HE3 LYS 74 HE3 LYS 74 12.837 9.447 0.120 589 HZ1 LYS 74 HZ1 LYS 74 11.866 11.302 1.467 590 HZ2 LYS 74 HZ2 LYS 74 10.860 10.764 0.238 591 HZ3 LYS 74 HZ3 LYS 74 11.678 12.206 0.045 592 H LYS 75 H LYS 75 14.693 12.162 4.494 593 HA LYS 75 HA LYS 75 12.097 11.389 5.442 594 HB2 LYS 75 HB2 LYS 75 11.935 13.795 6.180 595 HB3 LYS 75 HB3 LYS 75 13.286 12.908 6.864 596 HG2 LYS 75 HG2 LYS 75 14.867 14.075 5.617 597 HG3 LYS 75 HG3 LYS 75 13.694 14.550 4.393 598 HD2 LYS 75 HD2 LYS 75 13.806 15.599 7.225 599 HD3 LYS 75 HD3 LYS 75 14.384 16.452 5.792 600 HE2 LYS 75 HE2 LYS 75 11.520 15.707 6.463 601 HE3 LYS 75 HE3 LYS 75 12.214 17.311 6.317 602 HZ1 LYS 75 HZ1 LYS 75 12.558 16.899 3.922 603 HZ2 LYS 75 HZ2 LYS 75 10.924 16.715 4.342 604 HZ3 LYS 75 HZ3 LYS 75 11.869 15.364 4.090 605 H1 ALA 1 H1 ALA 1 13.898 -14.509 11.365 606 H2 ALA 1 H2 ALA 1 15.138 -15.438 10.756 607 H3 ALA 1 H3 ALA 1 14.397 -15.877 12.242 608 HA ALA 1 HA ALA 1 13.603 -17.251 10.379 609 HB1 ALA 1 HB1 ALA 1 11.573 -15.234 11.372 610 HB2 ALA 1 HB2 ALA 1 12.019 -16.733 12.188 611 HB3 ALA 1 HB3 ALA 1 11.189 -16.788 10.632 612 H ARG 2 H ARG 2 12.196 -17.140 8.319 613 HA ARG 2 HA ARG 2 13.197 -14.936 6.731 614 HB2 ARG 2 HB2 ARG 2 11.434 -17.273 5.896 615 HB3 ARG 2 HB3 ARG 2 11.974 -16.015 4.810 616 HG2 ARG 2 HG2 ARG 2 13.391 -17.801 4.350 617 HG3 ARG 2 HG3 ARG 2 14.355 -16.786 5.417 618 HD2 ARG 2 HD2 ARG 2 14.586 -19.121 6.035 619 HD3 ARG 2 HD3 ARG 2 13.742 -18.244 7.311 620 HE ARG 2 HE ARG 2 11.699 -19.165 5.902 621 HH11 ARG 2 HH11 ARG 2 14.618 -20.917 6.938 622 HH12 ARG 2 HH12 ARG 2 13.852 -22.417 7.110 623 HH21 ARG 2 HH21 ARG 2 10.615 -21.274 6.134 624 HH22 ARG 2 HH22 ARG 2 11.502 -22.626 6.634 625 H THR 3 H THR 3 12.178 -13.154 7.445 626 HA THR 3 HA THR 3 9.279 -13.177 7.496 627 HB THR 3 HB THR 3 11.236 -11.105 8.536 628 HG1 THR 3 HG1 THR 3 9.714 -12.891 10.103 629 HG21 THR 3 HG21 THR 3 8.278 -11.523 9.070 630 HG22 THR 3 HG22 THR 3 8.961 -10.240 8.075 631 HG23 THR 3 HG23 THR 3 9.290 -10.281 9.807 632 H LYS 4 H LYS 4 8.483 -12.686 5.558 633 HA LYS 4 HA LYS 4 9.872 -10.724 3.902 634 HB2 LYS 4 HB2 LYS 4 8.872 -13.257 3.320 635 HB3 LYS 4 HB3 LYS 4 7.632 -12.182 2.699 636 HG2 LYS 4 HG2 LYS 4 10.535 -11.850 1.980 637 HG3 LYS 4 HG3 LYS 4 9.468 -12.932 1.095 638 HD2 LYS 4 HD2 LYS 4 8.038 -11.069 0.492 639 HD3 LYS 4 HD3 LYS 4 9.012 -9.971 1.475 640 HE2 LYS 4 HE2 LYS 4 10.868 -10.150 0.020 641 HE3 LYS 4 HE3 LYS 4 10.204 -11.571 -0.781 642 HZ1 LYS 4 HZ1 LYS 4 8.544 -10.297 -1.748 643 HZ2 LYS 4 HZ2 LYS 4 10.021 -9.515 -2.113 644 HZ3 LYS 4 HZ3 LYS 4 8.988 -8.866 -0.939 645 H GLN 5 H GLN 5 8.801 -8.922 3.272 646 HA GLN 5 HA GLN 5 6.550 -8.189 4.950 647 HB2 GLN 5 HB2 GLN 5 7.097 -5.855 4.280 648 HB3 GLN 5 HB3 GLN 5 8.435 -6.674 5.058 649 HG2 GLN 5 HG2 GLN 5 8.182 -6.342 2.062 650 HG3 GLN 5 HG3 GLN 5 9.047 -5.218 3.102 651 HE21 GLN 5 HE21 GLN 5 11.045 -5.862 3.953 652 HE22 GLN 5 HE22 GLN 5 11.890 -7.239 3.338 653 H THR 6 H THR 6 4.531 -7.648 4.177 654 HA THR 6 HA THR 6 4.228 -7.440 1.302 655 HB THR 6 HB THR 6 2.358 -8.914 1.229 656 HG1 THR 6 HG1 THR 6 1.328 -9.639 3.045 657 HG21 THR 6 HG21 THR 6 4.511 -10.103 1.185 658 HG22 THR 6 HG22 THR 6 3.244 -11.101 1.891 659 HG23 THR 6 HG23 THR 6 4.429 -10.312 2.932 660 H ALA 7 H ALA 7 1.995 -6.500 0.793 661 HA ALA 7 HA ALA 7 0.730 -5.055 2.933 662 HB1 ALA 7 HB1 ALA 7 2.494 -3.499 2.293 663 HB2 ALA 7 HB2 ALA 7 0.936 -2.875 1.751 664 HB3 ALA 7 HB3 ALA 7 2.041 -3.626 0.599 665 H ARG 8 H ARG 8 -1.200 -3.758 1.774 666 HA ARG 8 HA ARG 8 -2.787 -5.808 0.650 667 HB2 ARG 8 HB2 ARG 8 -3.336 -2.850 0.560 668 HB3 ARG 8 HB3 ARG 8 -4.490 -4.101 0.159 669 HG2 ARG 8 HG2 ARG 8 -4.226 -4.913 2.566 670 HG3 ARG 8 HG3 ARG 8 -3.307 -3.404 2.799 671 HD2 ARG 8 HD2 ARG 8 -5.712 -3.216 3.412 672 HD3 ARG 8 HD3 ARG 8 -5.138 -2.051 2.221 673 HE ARG 8 HE ARG 8 -6.451 -4.499 1.248 674 HH11 ARG 8 HH11 ARG 8 -6.790 -1.054 1.917 675 HH12 ARG 8 HH12 ARG 8 -8.000 -0.809 0.729 676 HH21 ARG 8 HH21 ARG 8 -8.036 -4.207 -0.314 677 HH22 ARG 8 HH22 ARG 8 -8.765 -2.710 -0.603 678 H M3L 9 H M3L 9 -2.023 -2.763 -1.031 679 HA M3L 9 HA M3L 9 -1.775 -2.133 -3.127 680 HB2 M3L 9 1HB M3L 9 -0.512 -4.104 -3.822 681 HB3 M3L 9 2HB M3L 9 -2.030 -4.961 -4.098 682 HG2 M3L 9 1HG M3L 9 -1.369 -2.380 -5.484 683 HG3 M3L 9 2HG M3L 9 -2.644 -3.528 -5.876 684 HD2 M3L 9 1HD M3L 9 -0.304 -3.375 -7.142 685 HD3 M3L 9 2HD M3L 9 0.125 -4.554 -5.926 686 HE2 M3L 9 1HE M3L 9 -2.270 -4.694 -7.791 687 HE3 M3L 9 2HE M3L 9 -1.893 -5.878 -6.577 688 HM11 M3L 9 1HM1 M3L 9 -0.628 -7.608 -9.766 689 HM12 M3L 9 2HM1 M3L 9 -1.733 -7.723 -8.401 690 HM13 M3L 9 3HM1 M3L 9 -2.061 -6.604 -9.665 691 HM21 M3L 9 1HM2 M3L 9 0.959 -7.462 -8.007 692 HM22 M3L 9 2HM2 M3L 9 0.414 -6.737 -6.498 693 HM23 M3L 9 3HM2 M3L 9 1.525 -5.901 -7.537 694 HM31 M3L 9 3HM3 M3L 9 1.167 -4.960 -9.294 695 HM32 M3L 9 1HM3 M3L 9 -0.265 -4.984 -10.286 696 HM33 M3L 9 2HM3 M3L 9 -0.117 -3.857 -8.974 697 H SER 10 H SER 10 -3.466 -0.901 -3.222 698 HA SER 10 HA SER 10 -6.091 -2.048 -3.548 699 HB2 SER 10 HB2 SER 10 -5.101 0.752 -2.883 700 HB3 SER 10 HB3 SER 10 -6.811 0.283 -2.971 701 HG SER 10 HG SER 10 -4.918 -1.033 -1.453 702 H THR 11 H THR 11 -7.270 0.079 -4.998 703 HA THR 11 HA THR 11 -5.648 0.759 -7.208 704 HB THR 11 HB THR 11 -6.429 -1.534 -7.857 705 HG1 THR 11 HG1 THR 11 -6.092 -0.217 -9.544 706 HG21 THR 11 HG21 THR 11 -9.200 -0.317 -7.732 707 HG22 THR 11 HG22 THR 11 -8.578 -1.576 -6.664 708 HG23 THR 11 HG23 THR 11 -8.812 -1.912 -8.380 709 H GLY 12 H GLY 12 -6.766 2.398 -8.517 710 HA2 GLY 12 HA2 GLY 12 -9.319 3.289 -7.548 711 HA3 GLY 12 HA3 GLY 12 -7.972 4.366 -7.198 712 H GLY 13 H GLY 13 -10.354 4.507 -8.984 713 HA2 GLY 13 HA2 GLY 13 -9.015 5.916 -11.103 714 HA3 GLY 13 HA3 GLY 13 -9.885 4.480 -11.645 715 H LYS 14 H LYS 14 -10.772 6.479 -8.958 716 HA LYS 14 HA LYS 14 -13.079 7.550 -10.410 717 HB2 LYS 14 HB2 LYS 14 -13.213 6.101 -7.743 718 HB3 LYS 14 HB3 LYS 14 -14.534 7.003 -8.467 719 HG2 LYS 14 HG2 LYS 14 -14.567 5.416 -10.349 720 HG3 LYS 14 HG3 LYS 14 -13.257 4.512 -9.596 721 HD2 LYS 14 HD2 LYS 14 -15.384 3.429 -9.133 722 HD3 LYS 14 HD3 LYS 14 -14.712 4.084 -7.642 723 HE2 LYS 14 HE2 LYS 14 -16.207 6.018 -7.808 724 HE3 LYS 14 HE3 LYS 14 -16.852 5.396 -9.329 725 HZ1 LYS 14 HZ1 LYS 14 -17.056 4.069 -6.680 726 HZ2 LYS 14 HZ2 LYS 14 -17.688 3.471 -8.132 727 HZ3 LYS 14 HZ3 LYS 14 -18.302 4.901 -7.469 728 H ALA 15 H ALA 15 -10.698 8.778 -9.737 729 HA ALA 15 HA ALA 15 -10.936 10.170 -7.236 730 HB1 ALA 15 HB1 ALA 15 -8.924 11.369 -7.960 731 HB2 ALA 15 HB2 ALA 15 -9.062 10.641 -9.560 732 HB3 ALA 15 HB3 ALA 15 -8.730 9.625 -8.156 733 HA PRO 16 HA PRO 16 -13.780 13.219 -8.914 734 HB2 PRO 16 HB2 PRO 16 -12.939 14.741 -6.508 735 HB3 PRO 16 HB3 PRO 16 -14.573 14.266 -7.017 736 HG2 PRO 16 HG2 PRO 16 -13.414 13.061 -4.979 737 HG3 PRO 16 HG3 PRO 16 -14.409 12.158 -6.139 738 HD2 PRO 16 HD2 PRO 16 -11.439 12.258 -5.905 739 HD3 PRO 16 HD3 PRO 16 -12.518 10.897 -6.284 740 H ARG 17 H ARG 17 -13.005 14.281 -10.597 741 HA ARG 17 HA ARG 17 -11.192 16.506 -10.181 742 HB2 ARG 17 HB2 ARG 17 -9.947 15.934 -12.233 743 HB3 ARG 17 HB3 ARG 17 -9.724 14.715 -10.989 744 HG2 ARG 17 HG2 ARG 17 -10.947 13.120 -12.146 745 HG3 ARG 17 HG3 ARG 17 -11.842 14.330 -13.065 746 HD2 ARG 17 HD2 ARG 17 -8.892 13.791 -13.406 747 HD3 ARG 17 HD3 ARG 17 -10.151 13.068 -14.412 748 HE ARG 17 HE ARG 17 -10.776 15.599 -14.739 749 HH11 ARG 17 HH11 ARG 17 -7.563 14.153 -14.928 750 HH12 ARG 17 HH12 ARG 17 -6.910 15.414 -15.887 751 HH21 ARG 17 HH21 ARG 17 -9.949 17.288 -15.910 752 HH22 ARG 17 HH22 ARG 17 -8.362 17.317 -16.500 753 H TYR 18 H TYR 18 -11.110 17.657 -12.442 754 HA TYR 18 HA TYR 18 -13.702 17.490 -13.736 755 HB2 TYR 18 HB2 TYR 18 -11.932 19.935 -13.307 756 HB3 TYR 18 HB3 TYR 18 -13.413 19.916 -14.258 757 HD1 TYR 18 HD1 TYR 18 -15.602 19.570 -13.117 758 HD2 TYR 18 HD2 TYR 18 -11.998 20.129 -10.928 759 HE1 TYR 18 HE1 TYR 18 -16.912 20.084 -11.102 760 HE2 TYR 18 HE2 TYR 18 -13.297 20.640 -8.907 761 HH TYR 18 HH TYR 18 -15.539 21.445 -8.316 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -21.795 -53.654 5.469 2 H2 MET 1 H2 MET 1 -21.340 -52.029 5.166 3 H3 MET 1 H3 MET 1 -22.838 -52.551 4.674 4 HA MET 1 HA MET 1 -23.545 -52.751 6.948 5 HB2 MET 1 HB2 MET 1 -20.755 -51.668 7.488 6 HB3 MET 1 HB3 MET 1 -22.041 -51.736 8.680 7 HG2 MET 1 HG2 MET 1 -22.040 -54.144 8.610 8 HG3 MET 1 HG3 MET 1 -20.868 -54.136 7.296 9 HE1 MET 1 HE1 MET 1 -19.881 -52.779 11.611 10 HE2 MET 1 HE2 MET 1 -21.475 -53.356 11.122 11 HE3 MET 1 HE3 MET 1 -20.874 -51.810 10.525 12 H VAL 2 H VAL 2 -24.113 -50.622 8.177 13 HA VAL 2 HA VAL 2 -24.347 -48.553 6.195 14 HB VAL 2 HB VAL 2 -25.210 -48.540 9.118 15 HG11 VAL 2 HG11 VAL 2 -26.709 -46.709 8.456 16 HG12 VAL 2 HG12 VAL 2 -26.050 -46.767 6.821 17 HG13 VAL 2 HG13 VAL 2 -25.017 -46.301 8.171 18 HG21 VAL 2 HG21 VAL 2 -26.336 -50.342 7.911 19 HG22 VAL 2 HG22 VAL 2 -26.846 -49.204 6.665 20 HG23 VAL 2 HG23 VAL 2 -27.473 -49.052 8.305 21 H SER 3 H SER 3 -22.388 -47.702 5.845 22 HA SER 3 HA SER 3 -21.092 -46.314 8.015 23 HB2 SER 3 HB2 SER 3 -18.897 -47.380 7.251 24 HB3 SER 3 HB3 SER 3 -19.990 -48.424 8.166 25 HG SER 3 HG SER 3 -19.858 -48.286 5.349 26 H VAL 4 H VAL 4 -20.483 -44.359 7.259 27 HA VAL 4 HA VAL 4 -19.642 -44.037 4.532 28 HB VAL 4 HB VAL 4 -22.128 -43.663 4.516 29 HG11 VAL 4 HG11 VAL 4 -21.565 -41.420 6.432 30 HG12 VAL 4 HG12 VAL 4 -22.479 -42.890 6.761 31 HG13 VAL 4 HG13 VAL 4 -23.102 -41.702 5.614 32 HG21 VAL 4 HG21 VAL 4 -20.779 -42.481 2.877 33 HG22 VAL 4 HG22 VAL 4 -20.497 -41.170 4.020 34 HG23 VAL 4 HG23 VAL 4 -22.121 -41.460 3.396 35 H LYS 5 H LYS 5 -18.457 -41.993 4.346 36 HA LYS 5 HA LYS 5 -17.466 -41.182 6.970 37 HB2 LYS 5 HB2 LYS 5 -15.494 -40.249 5.642 38 HB3 LYS 5 HB3 LYS 5 -15.645 -41.991 5.671 39 HG2 LYS 5 HG2 LYS 5 -15.034 -41.462 3.456 40 HG3 LYS 5 HG3 LYS 5 -16.751 -41.805 3.383 41 HD2 LYS 5 HD2 LYS 5 -16.545 -39.917 2.032 42 HD3 LYS 5 HD3 LYS 5 -17.025 -39.223 3.574 43 HE2 LYS 5 HE2 LYS 5 -14.177 -39.391 2.554 44 HE3 LYS 5 HE3 LYS 5 -15.201 -37.969 2.438 45 HZ1 LYS 5 HZ1 LYS 5 -13.671 -37.816 4.277 46 HZ2 LYS 5 HZ2 LYS 5 -14.277 -39.225 4.979 47 HZ3 LYS 5 HZ3 LYS 5 -15.255 -37.841 4.833 48 HA PRO 6 HA PRO 6 -19.251 -37.207 6.351 49 HB2 PRO 6 HB2 PRO 6 -17.832 -35.672 8.039 50 HB3 PRO 6 HB3 PRO 6 -18.887 -36.965 8.645 51 HG2 PRO 6 HG2 PRO 6 -15.938 -36.948 8.358 52 HG3 PRO 6 HG3 PRO 6 -16.946 -37.659 9.633 53 HD2 PRO 6 HD2 PRO 6 -15.837 -39.089 7.555 54 HD3 PRO 6 HD3 PRO 6 -17.252 -39.595 8.496 55 H LEU 7 H LEU 7 -19.035 -35.328 5.221 56 HA LEU 7 HA LEU 7 -16.427 -34.761 4.078 57 HB2 LEU 7 HB2 LEU 7 -17.701 -33.705 2.168 58 HB3 LEU 7 HB3 LEU 7 -17.877 -35.434 2.288 59 HG LEU 7 HG LEU 7 -20.139 -34.979 3.402 60 HD11 LEU 7 HD11 LEU 7 -19.712 -32.230 2.249 61 HD12 LEU 7 HD12 LEU 7 -19.838 -32.635 3.959 62 HD13 LEU 7 HD13 LEU 7 -21.227 -32.861 2.895 63 HD21 LEU 7 HD21 LEU 7 -19.716 -34.179 0.530 64 HD22 LEU 7 HD22 LEU 7 -21.256 -34.657 1.246 65 HD23 LEU 7 HD23 LEU 7 -19.934 -35.819 1.142 66 HA PRO 8 HA PRO 8 -16.867 -30.843 6.121 67 HB2 PRO 8 HB2 PRO 8 -15.389 -29.344 4.164 68 HB3 PRO 8 HB3 PRO 8 -14.771 -30.033 5.676 69 HG2 PRO 8 HG2 PRO 8 -13.995 -30.873 3.195 70 HG3 PRO 8 HG3 PRO 8 -13.906 -31.855 4.669 71 HD2 PRO 8 HD2 PRO 8 -15.949 -31.916 2.499 72 HD3 PRO 8 HD3 PRO 8 -15.218 -33.256 3.406 73 H ASP 9 H ASP 9 -18.712 -29.590 6.147 74 HA ASP 9 HA ASP 9 -19.927 -28.836 3.640 75 HB2 ASP 9 HB2 ASP 9 -21.731 -27.920 5.094 76 HB3 ASP 9 HB3 ASP 9 -21.375 -29.589 5.509 77 H ILE 10 H ILE 10 -18.380 -27.399 6.417 78 HA ILE 10 HA ILE 10 -17.637 -25.194 4.641 79 HB ILE 10 HB ILE 10 -17.163 -25.322 7.662 80 HG12 ILE 10 HG12 ILE 10 -18.559 -23.168 7.648 81 HG13 ILE 10 HG13 ILE 10 -19.010 -23.573 6.003 82 HG21 ILE 10 HG21 ILE 10 -16.509 -23.087 5.748 83 HG22 ILE 10 HG22 ILE 10 -15.378 -24.289 6.253 84 HG23 ILE 10 HG23 ILE 10 -16.057 -23.167 7.469 85 HD11 ILE 10 HD11 ILE 10 -19.615 -25.184 8.466 86 HD12 ILE 10 HD12 ILE 10 -20.066 -25.620 6.819 87 HD13 ILE 10 HD13 ILE 10 -20.747 -24.174 7.566 88 H ASP 11 H ASP 11 -15.617 -25.069 3.927 89 HA ASP 11 HA ASP 11 -13.894 -27.303 4.665 90 HB2 ASP 11 HB2 ASP 11 -14.697 -26.908 2.328 91 HB3 ASP 11 HB3 ASP 11 -13.675 -25.474 2.340 92 H SER 12 H SER 12 -11.511 -26.693 4.447 93 HA SER 12 HA SER 12 -11.111 -24.422 6.211 94 HB2 SER 12 HB2 SER 12 -10.225 -26.611 6.907 95 HB3 SER 12 HB3 SER 12 -9.231 -26.670 5.455 96 HG SER 12 HG SER 12 -8.577 -24.445 6.424 97 H ASN 13 H ASN 13 -10.815 -25.161 2.895 98 HA ASN 13 HA ASN 13 -8.484 -23.580 2.397 99 HB2 ASN 13 HB2 ASN 13 -8.806 -23.940 0.077 100 HB3 ASN 13 HB3 ASN 13 -9.371 -25.415 0.836 101 HD21 ASN 13 HD21 ASN 13 -11.600 -25.844 0.816 102 HD22 ASN 13 HD22 ASN 13 -12.672 -25.045 -0.288 103 H GLU 14 H GLU 14 -8.534 -21.693 0.907 104 HA GLU 14 HA GLU 14 -10.774 -19.900 1.309 105 HB2 GLU 14 HB2 GLU 14 -8.708 -19.664 3.004 106 HB3 GLU 14 HB3 GLU 14 -7.881 -19.014 1.608 107 HG2 GLU 14 HG2 GLU 14 -10.403 -17.840 2.805 108 HG3 GLU 14 HG3 GLU 14 -8.779 -17.304 3.195 109 H GLY 15 H GLY 15 -10.276 -18.074 -0.380 110 HA2 GLY 15 HA2 GLY 15 -9.503 -19.464 -2.810 111 HA3 GLY 15 HA3 GLY 15 -10.335 -17.914 -2.701 112 H GLU 16 H GLU 16 -9.179 -16.093 -2.792 113 HA GLU 16 HA GLU 16 -6.268 -16.423 -2.837 114 HB2 GLU 16 HB2 GLU 16 -7.906 -14.565 -4.567 115 HB3 GLU 16 HB3 GLU 16 -6.167 -14.797 -4.629 116 HG2 GLU 16 HG2 GLU 16 -6.438 -17.040 -5.446 117 HG3 GLU 16 HG3 GLU 16 -8.183 -16.949 -5.224 118 H THR 17 H THR 17 -5.868 -15.573 -0.756 119 HA THR 17 HA THR 17 -7.061 -13.102 0.085 120 HB THR 17 HB THR 17 -4.468 -14.085 1.190 121 HG1 THR 17 HG1 THR 17 -6.936 -15.581 1.283 122 HG21 THR 17 HG21 THR 17 -7.115 -13.329 2.451 123 HG22 THR 17 HG22 THR 17 -5.724 -12.262 2.271 124 HG23 THR 17 HG23 THR 17 -5.622 -13.673 3.324 125 H ASP 18 H ASP 18 -4.633 -14.132 -1.917 126 HA ASP 18 HA ASP 18 -2.570 -12.255 -1.969 127 HB2 ASP 18 HB2 ASP 18 -2.457 -14.349 -3.173 128 HB3 ASP 18 HB3 ASP 18 -3.853 -13.915 -4.144 129 H ALA 19 H ALA 19 -5.755 -12.294 -3.294 130 HA ALA 19 HA ALA 19 -5.692 -10.266 -5.152 131 HB1 ALA 19 HB1 ALA 19 -8.096 -10.155 -4.925 132 HB2 ALA 19 HB2 ALA 19 -8.007 -11.008 -3.384 133 HB3 ALA 19 HB3 ALA 19 -7.554 -11.833 -4.875 134 H ASP 20 H ASP 20 -5.671 -9.974 -1.664 135 HA ASP 20 HA ASP 20 -5.918 -7.049 -2.057 136 HB2 ASP 20 HB2 ASP 20 -7.943 -8.261 -0.999 137 HB3 ASP 20 HB3 ASP 20 -6.908 -8.520 0.393 138 H VAL 21 H VAL 21 -3.696 -9.339 -1.501 139 HA VAL 21 HA VAL 21 -2.103 -7.569 0.170 140 HB VAL 21 HB VAL 21 -2.085 -10.428 0.856 141 HG11 VAL 21 HG11 VAL 21 -1.151 -8.050 2.403 142 HG12 VAL 21 HG12 VAL 21 -0.181 -9.277 1.588 143 HG13 VAL 21 HG13 VAL 21 -1.120 -9.704 3.017 144 HG21 VAL 21 HG21 VAL 21 -3.899 -8.477 2.280 145 HG22 VAL 21 HG22 VAL 21 -3.464 -10.069 2.917 146 HG23 VAL 21 HG23 VAL 21 -4.350 -9.943 1.399 147 H TYR 22 H TYR 22 -0.342 -7.355 -1.081 148 HA TYR 22 HA TYR 22 0.792 -9.808 -2.219 149 HB2 TYR 22 HB2 TYR 22 0.860 -7.025 -3.321 150 HB3 TYR 22 HB3 TYR 22 2.034 -8.241 -3.814 151 HD1 TYR 22 HD2 TYR 22 -1.480 -7.240 -3.926 152 HD2 TYR 22 HD1 TYR 22 1.400 -10.115 -5.126 153 HE1 TYR 22 HE2 TYR 22 -3.072 -8.142 -5.567 154 HE2 TYR 22 HE1 TYR 22 -0.170 -11.018 -6.766 155 HH TYR 22 HH TYR 22 -2.659 -11.068 -6.897 156 H GLU 23 H GLU 23 3.161 -9.853 -2.454 157 HA GLU 23 HA GLU 23 4.377 -9.249 0.040 158 HB2 GLU 23 HB2 GLU 23 4.789 -11.221 -1.695 159 HB3 GLU 23 HB3 GLU 23 5.786 -9.931 -2.389 160 HG2 GLU 23 HG2 GLU 23 7.254 -9.875 -0.600 161 HG3 GLU 23 HG3 GLU 23 6.199 -10.863 0.409 162 H VAL 24 H VAL 24 5.909 -7.664 0.470 163 HA VAL 24 HA VAL 24 6.233 -5.623 -1.586 164 HB VAL 24 HB VAL 24 6.372 -5.349 1.435 165 HG11 VAL 24 HG11 VAL 24 6.846 -2.959 1.053 166 HG12 VAL 24 HG12 VAL 24 6.940 -3.252 -0.684 167 HG13 VAL 24 HG13 VAL 24 8.138 -3.964 0.396 168 HG21 VAL 24 HG21 VAL 24 4.561 -3.765 1.076 169 HG22 VAL 24 HG22 VAL 24 4.152 -5.380 0.495 170 HG23 VAL 24 HG23 VAL 24 4.605 -4.118 -0.650 171 H GLU 25 H GLU 25 8.014 -5.830 -2.621 172 HA GLU 25 HA GLU 25 10.338 -7.070 -1.538 173 HB2 GLU 25 HB2 GLU 25 9.654 -6.720 -4.033 174 HB3 GLU 25 HB3 GLU 25 10.350 -5.119 -3.841 175 HG2 GLU 25 HG2 GLU 25 11.949 -6.641 -4.842 176 HG3 GLU 25 HG3 GLU 25 12.499 -6.136 -3.238 177 H ASP 26 H ASP 26 9.612 -3.624 -2.423 178 HA ASP 26 HA ASP 26 10.454 -2.491 -0.032 179 HB2 ASP 26 HB2 ASP 26 12.741 -3.343 -1.100 180 HB3 ASP 26 HB3 ASP 26 12.552 -1.940 -2.144 181 H ILE 27 H ILE 27 11.135 0.017 -0.708 182 HA ILE 27 HA ILE 27 8.806 0.865 -2.303 183 HB ILE 27 HB ILE 27 10.568 2.681 -0.585 184 HG12 ILE 27 HG12 ILE 27 9.667 0.912 0.860 185 HG13 ILE 27 HG13 ILE 27 8.966 2.479 1.242 186 HG21 ILE 27 HG21 ILE 27 8.611 4.137 -0.558 187 HG22 ILE 27 HG22 ILE 27 7.753 2.996 -1.594 188 HG23 ILE 27 HG23 ILE 27 9.182 3.825 -2.196 189 HD11 ILE 27 HD11 ILE 27 6.936 1.818 0.032 190 HD12 ILE 27 HD12 ILE 27 7.317 0.721 1.362 191 HD13 ILE 27 HD13 ILE 27 7.664 0.245 -0.301 192 H LEU 28 H LEU 28 9.120 2.195 -4.078 193 HA LEU 28 HA LEU 28 11.894 2.414 -4.986 194 HB2 LEU 28 HB2 LEU 28 9.333 2.429 -6.541 195 HB3 LEU 28 HB3 LEU 28 10.922 2.641 -7.261 196 HG LEU 28 HG LEU 28 9.860 0.169 -5.887 197 HD11 LEU 28 HD11 LEU 28 8.910 0.535 -8.083 198 HD12 LEU 28 HD12 LEU 28 10.023 -0.832 -8.110 199 HD13 LEU 28 HD13 LEU 28 10.524 0.725 -8.767 200 HD21 LEU 28 HD21 LEU 28 11.952 -0.906 -6.622 201 HD22 LEU 28 HD22 LEU 28 12.244 0.378 -5.455 202 HD23 LEU 28 HD23 LEU 28 12.553 0.659 -7.171 203 H ALA 29 H ALA 29 9.091 4.310 -4.186 204 HA ALA 29 HA ALA 29 10.513 6.741 -4.127 205 HB1 ALA 29 HB1 ALA 29 10.313 6.630 -6.585 206 HB2 ALA 29 HB2 ALA 29 9.346 7.956 -5.933 207 HB3 ALA 29 HB3 ALA 29 8.564 6.456 -6.434 208 H ASP 30 H ASP 30 8.705 8.625 -3.999 209 HA ASP 30 HA ASP 30 6.391 7.588 -2.525 210 HB2 ASP 30 HB2 ASP 30 6.763 9.103 -0.712 211 HB3 ASP 30 HB3 ASP 30 8.260 8.212 -0.976 212 H ARG 31 H ARG 31 4.905 9.505 -1.961 213 HA ARG 31 HA ARG 31 5.068 11.835 -3.556 214 HB2 ARG 31 HB2 ARG 31 4.197 9.957 -5.095 215 HB3 ARG 31 HB3 ARG 31 2.777 9.940 -4.072 216 HG2 ARG 31 HG2 ARG 31 2.546 11.237 -6.198 217 HG3 ARG 31 HG3 ARG 31 2.163 12.140 -4.729 218 HD2 ARG 31 HD2 ARG 31 3.648 13.258 -6.552 219 HD3 ARG 31 HD3 ARG 31 4.098 13.428 -4.859 220 HE ARG 31 HE ARG 31 5.419 11.200 -5.689 221 HH11 ARG 31 HH11 ARG 31 5.361 14.498 -6.934 222 HH12 ARG 31 HH12 ARG 31 7.027 14.561 -7.292 223 HH21 ARG 31 HH21 ARG 31 7.654 11.254 -6.089 224 HH22 ARG 31 HH22 ARG 31 8.418 12.607 -6.791 225 H VAL 32 H VAL 32 3.230 13.261 -2.980 226 HA VAL 32 HA VAL 32 1.806 12.521 -0.567 227 HB VAL 32 HB VAL 32 3.316 15.135 -0.915 228 HG11 VAL 32 HG11 VAL 32 1.335 15.369 0.442 229 HG12 VAL 32 HG12 VAL 32 2.778 15.527 1.446 230 HG13 VAL 32 HG13 VAL 32 1.847 14.027 1.463 231 HG21 VAL 32 HG21 VAL 32 4.955 13.385 -0.563 232 HG22 VAL 32 HG22 VAL 32 4.047 12.771 0.811 233 HG23 VAL 32 HG23 VAL 32 4.824 14.360 0.907 234 H ASN 33 H ASN 33 -0.203 13.314 -0.658 235 HA ASN 33 HA ASN 33 -1.150 14.833 -2.965 236 HB2 ASN 33 HB2 ASN 33 -2.545 13.893 -0.443 237 HB3 ASN 33 HB3 ASN 33 -3.340 14.776 -1.729 238 HD21 ASN 33 HD21 ASN 33 -1.780 11.808 -0.840 239 HD22 ASN 33 HD22 ASN 33 -2.387 10.853 -2.080 240 H LYS 34 H LYS 34 -2.664 16.707 -2.411 241 HA LYS 34 HA LYS 34 -1.420 18.447 -0.435 242 HB2 LYS 34 HB2 LYS 34 -3.663 18.988 -2.406 243 HB3 LYS 34 HB3 LYS 34 -2.970 20.190 -1.326 244 HG2 LYS 34 HG2 LYS 34 -0.788 19.896 -2.421 245 HG3 LYS 34 HG3 LYS 34 -1.520 18.738 -3.532 246 HD2 LYS 34 HD2 LYS 34 -3.025 20.487 -4.358 247 HD3 LYS 34 HD3 LYS 34 -2.302 21.639 -3.233 248 HE2 LYS 34 HE2 LYS 34 -0.861 20.212 -5.474 249 HE3 LYS 34 HE3 LYS 34 -1.379 21.895 -5.489 250 HZ1 LYS 34 HZ1 LYS 34 0.965 21.699 -4.942 251 HZ2 LYS 34 HZ2 LYS 34 0.611 20.711 -3.620 252 HZ3 LYS 34 HZ3 LYS 34 0.112 22.324 -3.620 253 H ASN 35 H ASN 35 -3.922 16.326 -0.864 254 HA ASN 35 HA ASN 35 -5.875 17.222 0.979 255 HB2 ASN 35 HB2 ASN 35 -5.317 14.400 0.040 256 HB3 ASN 35 HB3 ASN 35 -6.802 14.964 0.788 257 HD21 ASN 35 HD21 ASN 35 -6.323 13.683 -1.827 258 HD22 ASN 35 HD22 ASN 35 -6.976 14.790 -2.975 259 H GLY 36 H GLY 36 -2.832 15.606 1.355 260 HA2 GLY 36 HA2 GLY 36 -1.810 15.586 3.539 261 HA3 GLY 36 HA3 GLY 36 -3.403 15.331 4.230 262 H ILE 37 H ILE 37 -2.562 13.477 1.444 263 HA ILE 37 HA ILE 37 -2.198 11.127 3.168 264 HB ILE 37 HB ILE 37 -3.395 11.288 0.372 265 HG12 ILE 37 HG12 ILE 37 -5.346 10.074 1.687 266 HG13 ILE 37 HG13 ILE 37 -4.523 10.836 3.052 267 HG21 ILE 37 HG21 ILE 37 -3.817 8.904 0.514 268 HG22 ILE 37 HG22 ILE 37 -2.904 8.841 2.031 269 HG23 ILE 37 HG23 ILE 37 -2.092 9.291 0.522 270 HD11 ILE 37 HD11 ILE 37 -4.869 13.008 2.110 271 HD12 ILE 37 HD12 ILE 37 -6.411 12.151 2.246 272 HD13 ILE 37 HD13 ILE 37 -5.602 12.283 0.679 273 H ASN 38 H ASN 38 -0.358 9.984 2.916 274 HA ASN 38 HA ASN 38 1.463 10.691 0.732 275 HB2 ASN 38 HB2 ASN 38 1.899 8.958 3.185 276 HB3 ASN 38 HB3 ASN 38 3.101 9.249 1.946 277 HD21 ASN 38 HD21 ASN 38 2.327 12.083 1.741 278 HD22 ASN 38 HD22 ASN 38 2.988 12.838 3.149 279 H GLU 39 H GLU 39 2.050 9.206 -0.799 280 HA GLU 39 HA GLU 39 1.291 6.444 -0.424 281 HB2 GLU 39 HB2 GLU 39 0.593 6.217 -2.837 282 HB3 GLU 39 HB3 GLU 39 -0.539 7.075 -1.823 283 HG2 GLU 39 HG2 GLU 39 1.431 8.474 -3.582 284 HG3 GLU 39 HG3 GLU 39 -0.159 7.948 -4.149 285 H TYR 40 H TYR 40 2.457 4.951 -1.812 286 HA TYR 40 HA TYR 40 5.043 6.149 -2.575 287 HB2 TYR 40 HB2 TYR 40 4.861 3.585 -0.992 288 HB3 TYR 40 HB3 TYR 40 6.286 4.572 -1.316 289 HD1 TYR 40 HD2 TYR 40 6.523 6.784 -0.180 290 HD2 TYR 40 HD1 TYR 40 3.447 4.036 0.811 291 HE1 TYR 40 HE2 TYR 40 6.073 8.038 1.888 292 HE2 TYR 40 HE1 TYR 40 2.987 5.275 2.870 293 HH TYR 40 HH TYR 40 4.078 6.830 4.379 294 H TYR 41 H TYR 41 6.226 5.001 -4.025 295 HA TYR 41 HA TYR 41 4.737 3.346 -5.864 296 HB2 TYR 41 HB2 TYR 41 6.429 5.220 -6.427 297 HB3 TYR 41 HB3 TYR 41 7.673 4.073 -5.972 298 HD1 TYR 41 HD1 TYR 41 4.554 3.495 -7.950 299 HD2 TYR 41 HD2 TYR 41 8.804 3.676 -7.977 300 HE1 TYR 41 HE1 TYR 41 4.572 2.723 -10.279 301 HE2 TYR 41 HE2 TYR 41 8.833 2.888 -10.291 302 HH TYR 41 HH TYR 41 6.029 2.760 -12.225 303 H ILE 42 H ILE 42 4.479 1.300 -5.181 304 HA ILE 42 HA ILE 42 6.505 0.069 -3.456 305 HB ILE 42 HB ILE 42 3.786 -1.056 -4.126 306 HG12 ILE 42 HG12 ILE 42 3.416 1.154 -3.132 307 HG13 ILE 42 HG13 ILE 42 2.970 -0.115 -2.000 308 HG21 ILE 42 HG21 ILE 42 5.364 -2.638 -3.175 309 HG22 ILE 42 HG22 ILE 42 4.076 -2.289 -2.022 310 HG23 ILE 42 HG23 ILE 42 5.666 -1.552 -1.817 311 HD11 ILE 42 HD11 ILE 42 5.114 0.213 -0.854 312 HD12 ILE 42 HD12 ILE 42 4.086 1.643 -0.846 313 HD13 ILE 42 HD13 ILE 42 5.465 1.552 -1.948 314 H LYS 43 H LYS 43 7.752 -1.583 -4.115 315 HA LYS 43 HA LYS 43 7.235 -2.740 -6.708 316 HB2 LYS 43 HB2 LYS 43 9.578 -2.130 -6.272 317 HB3 LYS 43 HB3 LYS 43 9.595 -3.134 -4.828 318 HG2 LYS 43 HG2 LYS 43 10.711 -4.390 -6.496 319 HG3 LYS 43 HG3 LYS 43 9.108 -5.108 -6.339 320 HD2 LYS 43 HD2 LYS 43 8.454 -3.540 -8.283 321 HD3 LYS 43 HD3 LYS 43 10.189 -3.370 -8.531 322 HE2 LYS 43 HE2 LYS 43 9.506 -5.094 -9.981 323 HE3 LYS 43 HE3 LYS 43 10.274 -5.905 -8.620 324 HZ1 LYS 43 HZ1 LYS 43 7.369 -5.576 -9.098 325 HZ2 LYS 43 HZ2 LYS 43 7.920 -6.278 -7.716 326 HZ3 LYS 43 HZ3 LYS 43 8.180 -7.007 -9.216 327 H TRP 44 H TRP 44 5.719 -4.307 -6.598 328 HA TRP 44 HA TRP 44 5.357 -5.899 -4.247 329 HB2 TRP 44 HB2 TRP 44 3.989 -6.059 -6.938 330 HB3 TRP 44 HB3 TRP 44 3.469 -6.847 -5.449 331 HD1 TRP 44 HD1 TRP 44 3.165 -3.646 -7.335 332 HE1 TRP 44 HE1 TRP 44 1.834 -1.954 -5.944 333 HE3 TRP 44 HE3 TRP 44 3.115 -6.128 -2.901 334 HZ2 TRP 44 HZ2 TRP 44 0.889 -1.707 -3.313 335 HZ3 TRP 44 HZ3 TRP 44 1.986 -5.107 -0.995 336 HH2 TRP 44 HH2 TRP 44 0.894 -2.937 -1.196 337 H ALA 45 H ALA 45 6.225 -7.781 -3.911 338 HA ALA 45 HA ALA 45 7.738 -9.028 -6.064 339 HB1 ALA 45 HB1 ALA 45 7.465 -9.754 -3.145 340 HB2 ALA 45 HB2 ALA 45 8.821 -8.910 -3.887 341 HB3 ALA 45 HB3 ALA 45 8.489 -10.591 -4.303 342 H GLY 46 H GLY 46 7.337 -11.273 -6.590 343 HA2 GLY 46 HA2 GLY 46 6.013 -13.212 -6.610 344 HA3 GLY 46 HA3 GLY 46 4.766 -12.338 -5.737 345 H TYR 47 H TYR 47 5.037 -10.057 -7.726 346 HA TYR 47 HA TYR 47 3.292 -11.319 -9.750 347 HB2 TYR 47 HB2 TYR 47 2.570 -9.155 -8.260 348 HB3 TYR 47 HB3 TYR 47 3.509 -8.405 -9.573 349 HD1 TYR 47 HD1 TYR 47 1.137 -11.007 -9.586 350 HD2 TYR 47 HD2 TYR 47 2.177 -7.324 -11.073 351 HE1 TYR 47 HE1 TYR 47 -0.873 -11.107 -11.120 352 HE2 TYR 47 HE2 TYR 47 0.278 -7.319 -12.599 353 HH TYR 47 HH TYR 47 -1.099 -9.185 -13.725 354 H ASP 48 H ASP 48 3.237 -9.910 -11.634 355 HA ASP 48 HA ASP 48 5.551 -10.161 -13.244 356 HB2 ASP 48 HB2 ASP 48 3.206 -8.311 -13.687 357 HB3 ASP 48 HB3 ASP 48 4.384 -8.797 -14.896 358 H TRP 49 H TRP 49 6.972 -8.696 -13.994 359 HA TRP 49 HA TRP 49 7.952 -6.722 -12.268 360 HB2 TRP 49 HB2 TRP 49 8.407 -6.886 -15.257 361 HB3 TRP 49 HB3 TRP 49 9.439 -6.061 -14.091 362 HD1 TRP 49 HD1 TRP 49 9.017 -9.322 -15.788 363 HE1 TRP 49 HE1 TRP 49 10.570 -11.094 -14.758 364 HE3 TRP 49 HE3 TRP 49 10.438 -6.814 -11.558 365 HZ2 TRP 49 HZ2 TRP 49 12.178 -11.400 -12.467 366 HZ3 TRP 49 HZ3 TRP 49 11.984 -7.924 -9.998 367 HH2 TRP 49 HH2 TRP 49 12.835 -10.169 -10.445 368 H TYR 50 H TYR 50 5.339 -6.560 -14.283 369 HA TYR 50 HA TYR 50 5.253 -3.677 -14.713 370 HB2 TYR 50 HB2 TYR 50 4.634 -5.365 -16.509 371 HB3 TYR 50 HB3 TYR 50 3.268 -5.840 -15.518 372 HD1 TYR 50 HD2 TYR 50 4.751 -2.817 -17.142 373 HD2 TYR 50 HD1 TYR 50 1.199 -4.821 -15.926 374 HE1 TYR 50 HE2 TYR 50 3.400 -1.082 -18.241 375 HE2 TYR 50 HE1 TYR 50 -0.161 -3.090 -17.025 376 HH TYR 50 HH TYR 50 1.144 -0.833 -19.193 377 H ASP 51 H ASP 51 5.053 -5.074 -12.022 378 HA ASP 51 HA ASP 51 2.303 -4.918 -11.143 379 HB2 ASP 51 HB2 ASP 51 3.206 -5.746 -9.074 380 HB3 ASP 51 HB3 ASP 51 3.903 -6.629 -10.437 381 H ASN 52 H ASN 52 5.087 -2.845 -11.034 382 HA ASN 52 HA ASN 52 4.897 -1.605 -8.562 383 HB2 ASN 52 HB2 ASN 52 5.719 -0.416 -11.197 384 HB3 ASN 52 HB3 ASN 52 5.905 0.404 -9.660 385 HD21 ASN 52 HD21 ASN 52 7.847 -0.406 -11.620 386 HD22 ASN 52 HD22 ASN 52 8.965 -1.443 -10.794 387 H THR 53 H THR 53 3.597 -0.200 -7.661 388 HA THR 53 HA THR 53 2.217 1.752 -9.253 389 HB THR 53 HB THR 53 0.568 -0.073 -9.391 390 HG1 THR 53 HG1 THR 53 -0.766 1.524 -7.554 391 HG21 THR 53 HG21 THR 53 1.122 -1.320 -7.388 392 HG22 THR 53 HG22 THR 53 -0.591 -0.894 -7.357 393 HG23 THR 53 HG23 THR 53 0.563 0.005 -6.367 394 H TRP 54 H TRP 54 0.870 3.170 -7.771 395 HA TRP 54 HA TRP 54 2.392 3.746 -5.335 396 HB2 TRP 54 HB2 TRP 54 0.261 5.416 -6.695 397 HB3 TRP 54 HB3 TRP 54 1.331 5.926 -5.399 398 HD1 TRP 54 HD1 TRP 54 1.276 5.253 -9.154 399 HE1 TRP 54 HE1 TRP 54 3.323 6.337 -10.227 400 HE3 TRP 54 HE3 TRP 54 3.762 6.690 -4.909 401 HZ2 TRP 54 HZ2 TRP 54 5.685 7.651 -9.407 402 HZ3 TRP 54 HZ3 TRP 54 5.896 7.858 -5.158 403 HH2 TRP 54 HH2 TRP 54 6.843 8.325 -7.352 404 H GLU 55 H GLU 55 1.443 3.273 -3.344 405 HA GLU 55 HA GLU 55 -1.449 3.467 -3.301 406 HB2 GLU 55 HB2 GLU 55 -1.710 1.537 -1.817 407 HB3 GLU 55 HB3 GLU 55 -1.043 1.065 -3.362 408 HG2 GLU 55 HG2 GLU 55 1.087 0.718 -2.427 409 HG3 GLU 55 HG3 GLU 55 0.621 1.494 -0.906 410 HA PRO 56 HA PRO 56 -0.792 6.048 0.133 411 HB2 PRO 56 HB2 PRO 56 -2.960 5.498 1.717 412 HB3 PRO 56 HB3 PRO 56 -3.051 6.490 0.245 413 HG2 PRO 56 HG2 PRO 56 -3.756 3.629 0.619 414 HG3 PRO 56 HG3 PRO 56 -4.590 4.888 -0.321 415 HD2 PRO 56 HD2 PRO 56 -3.043 3.063 -1.511 416 HD3 PRO 56 HD3 PRO 56 -3.141 4.736 -2.092 417 H GLU 57 H GLU 57 -0.329 6.119 2.378 418 HA GLU 57 HA GLU 57 1.357 4.104 3.265 419 HB2 GLU 57 HB2 GLU 57 1.639 6.428 3.872 420 HB3 GLU 57 HB3 GLU 57 0.136 6.404 4.762 421 HG2 GLU 57 HG2 GLU 57 1.034 5.194 6.515 422 HG3 GLU 57 HG3 GLU 57 2.371 4.589 5.536 423 H GLN 58 H GLN 58 -1.985 4.485 3.943 424 HA GLN 58 HA GLN 58 -2.242 2.972 6.290 425 HB2 GLN 58 HB2 GLN 58 -4.611 2.524 5.469 426 HB3 GLN 58 HB3 GLN 58 -4.138 4.207 5.650 427 HG2 GLN 58 HG2 GLN 58 -3.960 4.527 3.343 428 HG3 GLN 58 HG3 GLN 58 -3.949 2.801 3.007 429 HE21 GLN 58 HE21 GLN 58 -5.931 5.562 3.823 430 HE22 GLN 58 HE22 GLN 58 -7.426 4.786 3.442 431 H ASN 59 H ASN 59 -1.678 1.838 3.007 432 HA ASN 59 HA ASN 59 -2.575 -0.819 3.633 433 HB2 ASN 59 HB2 ASN 59 -1.569 0.471 1.120 434 HB3 ASN 59 HB3 ASN 59 -1.830 -1.261 1.240 435 HD21 ASN 59 HD21 ASN 59 -3.858 1.000 2.885 436 HD22 ASN 59 HD22 ASN 59 -5.268 0.779 1.914 437 H LEU 60 H LEU 60 0.171 0.835 4.229 438 HA LEU 60 HA LEU 60 2.098 -1.251 3.549 439 HB2 LEU 60 HB2 LEU 60 2.322 1.564 4.584 440 HB3 LEU 60 HB3 LEU 60 3.679 0.470 4.685 441 HG LEU 60 HG LEU 60 3.900 1.964 2.782 442 HD11 LEU 60 HD11 LEU 60 4.879 -0.214 2.587 443 HD12 LEU 60 HD12 LEU 60 4.279 0.338 1.026 444 HD13 LEU 60 HD13 LEU 60 3.373 -0.868 1.934 445 HD21 LEU 60 HD21 LEU 60 2.405 1.852 0.852 446 HD22 LEU 60 HD22 LEU 60 1.520 2.372 2.288 447 HD23 LEU 60 HD23 LEU 60 1.370 0.717 1.711 448 H PHE 61 H PHE 61 0.007 -1.483 5.606 449 HA PHE 61 HA PHE 61 0.840 -1.344 8.238 450 HB2 PHE 61 HB2 PHE 61 -0.969 -2.878 8.764 451 HB3 PHE 61 HB3 PHE 61 -1.466 -1.881 7.400 452 HD1 PHE 61 HD2 PHE 61 -1.534 -2.835 5.113 453 HD2 PHE 61 HD1 PHE 61 -0.847 -5.251 8.549 454 HE1 PHE 61 HE2 PHE 61 -2.121 -4.842 3.818 455 HE2 PHE 61 HE1 PHE 61 -1.430 -7.260 7.256 456 HZ PHE 61 HZ PHE 61 -2.066 -7.056 4.886 457 H GLY 62 H GLY 62 1.653 -3.860 5.894 458 HA2 GLY 62 HA2 GLY 62 2.960 -5.478 7.955 459 HA3 GLY 62 HA3 GLY 62 2.700 -5.945 6.278 460 H ALA 63 H ALA 63 3.665 -3.139 5.620 461 HA ALA 63 HA ALA 63 6.477 -3.920 5.412 462 HB1 ALA 63 HB1 ALA 63 6.554 -2.362 3.530 463 HB2 ALA 63 HB2 ALA 63 4.866 -1.933 3.826 464 HB3 ALA 63 HB3 ALA 63 5.283 -3.566 3.310 465 H GLU 64 H GLU 64 5.270 -2.787 7.753 466 HA GLU 64 HA GLU 64 5.761 -0.086 8.138 467 HB2 GLU 64 HB2 GLU 64 4.896 -2.219 9.678 468 HB3 GLU 64 HB3 GLU 64 6.394 -1.746 10.463 469 HG2 GLU 64 HG2 GLU 64 3.962 -0.046 9.974 470 HG3 GLU 64 HG3 GLU 64 4.602 -0.586 11.525 471 H LYS 65 H LYS 65 7.893 -2.846 8.345 472 HA LYS 65 HA LYS 65 10.180 -1.663 9.508 473 HB2 LYS 65 HB2 LYS 65 10.300 -3.791 7.352 474 HB3 LYS 65 HB3 LYS 65 11.515 -3.464 8.569 475 HG2 LYS 65 HG2 LYS 65 9.715 -4.181 10.269 476 HG3 LYS 65 HG3 LYS 65 8.859 -4.841 8.876 477 HD2 LYS 65 HD2 LYS 65 11.656 -5.591 9.791 478 HD3 LYS 65 HD3 LYS 65 10.214 -6.579 9.952 479 HE2 LYS 65 HE2 LYS 65 11.334 -5.704 7.278 480 HE3 LYS 65 HE3 LYS 65 11.810 -7.193 8.076 481 HZ1 LYS 65 HZ1 LYS 65 8.960 -6.617 7.411 482 HZ2 LYS 65 HZ2 LYS 65 9.705 -8.133 7.722 483 HZ3 LYS 65 HZ3 LYS 65 10.055 -7.279 6.327 484 H VAL 66 H VAL 66 9.362 -2.124 6.104 485 HA VAL 66 HA VAL 66 11.617 -0.731 5.121 486 HB VAL 66 HB VAL 66 9.069 -1.608 3.724 487 HG11 VAL 66 HG11 VAL 66 11.664 -0.674 2.508 488 HG12 VAL 66 HG12 VAL 66 10.201 0.294 2.628 489 HG13 VAL 66 HG13 VAL 66 10.201 -1.181 1.647 490 HG21 VAL 66 HG21 VAL 66 11.849 -2.753 3.776 491 HG22 VAL 66 HG22 VAL 66 10.499 -3.365 2.821 492 HG23 VAL 66 HG23 VAL 66 10.432 -3.420 4.583 493 H LEU 67 H LEU 67 8.255 0.138 5.720 494 HA LEU 67 HA LEU 67 8.270 2.691 4.616 495 HB2 LEU 67 HB2 LEU 67 6.221 1.605 5.363 496 HB3 LEU 67 HB3 LEU 67 6.781 1.633 7.022 497 HG LEU 67 HG LEU 67 6.673 4.099 7.000 498 HD11 LEU 67 HD11 LEU 67 5.440 3.770 4.267 499 HD12 LEU 67 HD12 LEU 67 7.013 4.494 4.642 500 HD13 LEU 67 HD13 LEU 67 5.547 5.264 5.210 501 HD21 LEU 67 HD21 LEU 67 4.108 2.728 6.209 502 HD22 LEU 67 HD22 LEU 67 4.253 4.286 7.029 503 HD23 LEU 67 HD23 LEU 67 4.788 2.814 7.838 504 H LYS 68 H LYS 68 9.129 1.578 7.905 505 HA LYS 68 HA LYS 68 9.785 3.972 9.076 506 HB2 LYS 68 HB2 LYS 68 9.751 1.441 9.863 507 HB3 LYS 68 HB3 LYS 68 11.466 1.566 9.523 508 HG2 LYS 68 HG2 LYS 68 11.487 2.137 11.710 509 HG3 LYS 68 HG3 LYS 68 11.243 3.734 11.005 510 HD2 LYS 68 HD2 LYS 68 9.031 1.938 11.873 511 HD3 LYS 68 HD3 LYS 68 9.713 3.148 12.988 512 HE2 LYS 68 HE2 LYS 68 7.791 4.197 12.176 513 HE3 LYS 68 HE3 LYS 68 8.961 4.745 10.982 514 HZ1 LYS 68 HZ1 LYS 68 8.158 2.948 9.478 515 HZ2 LYS 68 HZ2 LYS 68 6.791 3.797 10.028 516 HZ3 LYS 68 HZ3 LYS 68 7.197 2.392 10.702 517 H LYS 69 H LYS 69 11.822 1.712 7.235 518 HA LYS 69 HA LYS 69 14.276 3.076 7.374 519 HB2 LYS 69 HB2 LYS 69 14.031 0.769 6.567 520 HB3 LYS 69 HB3 LYS 69 13.179 1.356 5.148 521 HG2 LYS 69 HG2 LYS 69 15.353 2.739 4.744 522 HG3 LYS 69 HG3 LYS 69 16.086 1.566 5.832 523 HD2 LYS 69 HD2 LYS 69 16.420 0.809 3.567 524 HD3 LYS 69 HD3 LYS 69 15.233 -0.251 4.330 525 HE2 LYS 69 HE2 LYS 69 13.412 0.898 3.207 526 HE3 LYS 69 HE3 LYS 69 14.522 2.107 2.572 527 HZ1 LYS 69 HZ1 LYS 69 14.487 -0.790 1.831 528 HZ2 LYS 69 HZ2 LYS 69 15.520 0.347 1.163 529 HZ3 LYS 69 HZ3 LYS 69 13.874 0.422 0.941 530 H TRP 70 H TRP 70 11.768 3.099 4.820 531 HA TRP 70 HA TRP 70 13.063 4.808 3.088 532 HB2 TRP 70 HB2 TRP 70 11.288 3.414 2.283 533 HB3 TRP 70 HB3 TRP 70 10.132 4.143 3.394 534 HD1 TRP 70 HD1 TRP 70 8.865 6.231 2.579 535 HE1 TRP 70 HE1 TRP 70 8.926 7.693 0.525 536 HE3 TRP 70 HE3 TRP 70 13.028 4.268 0.365 537 HZ2 TRP 70 HZ2 TRP 70 10.525 7.987 -1.819 538 HZ3 TRP 70 HZ3 TRP 70 13.754 5.198 -1.796 539 HH2 TRP 70 HH2 TRP 70 12.526 7.017 -2.862 540 H LYS 71 H LYS 71 10.341 5.602 5.243 541 HA LYS 71 HA LYS 71 10.594 8.321 4.614 542 HB2 LYS 71 HB2 LYS 71 8.931 6.964 6.712 543 HB3 LYS 71 HB3 LYS 71 8.948 8.725 6.485 544 HG2 LYS 71 HG2 LYS 71 8.237 8.470 4.202 545 HG3 LYS 71 HG3 LYS 71 8.338 6.721 4.367 546 HD2 LYS 71 HD2 LYS 71 6.031 7.465 4.457 547 HD3 LYS 71 HD3 LYS 71 6.552 6.746 5.974 548 HE2 LYS 71 HE2 LYS 71 6.511 8.655 7.076 549 HE3 LYS 71 HE3 LYS 71 6.639 9.710 5.635 550 HZ1 LYS 71 HZ1 LYS 71 4.327 9.117 5.120 551 HZ2 LYS 71 HZ2 LYS 71 4.295 9.645 6.714 552 HZ3 LYS 71 HZ3 LYS 71 4.274 8.010 6.341 553 H LYS 72 H LYS 72 12.249 6.485 6.918 554 HA LYS 72 HA LYS 72 13.066 8.691 8.564 555 HB2 LYS 72 HB2 LYS 72 13.258 6.187 9.054 556 HB3 LYS 72 HB3 LYS 72 14.715 6.263 8.064 557 HG2 LYS 72 HG2 LYS 72 15.652 7.947 9.479 558 HG3 LYS 72 HG3 LYS 72 14.174 8.008 10.436 559 HD2 LYS 72 HD2 LYS 72 14.494 5.658 10.982 560 HD3 LYS 72 HD3 LYS 72 16.066 5.706 10.158 561 HE2 LYS 72 HE2 LYS 72 16.541 6.109 12.477 562 HE3 LYS 72 HE3 LYS 72 16.603 7.647 11.584 563 HZ1 LYS 72 HZ1 LYS 72 15.418 7.855 13.708 564 HZ2 LYS 72 HZ2 LYS 72 14.262 6.754 13.158 565 HZ3 LYS 72 HZ3 LYS 72 14.449 8.239 12.373 566 H ARG 73 H ARG 73 14.417 7.094 5.668 567 HA ARG 73 HA ARG 73 16.452 9.153 5.565 568 HB2 ARG 73 HB2 ARG 73 15.946 6.857 3.684 569 HB3 ARG 73 HB3 ARG 73 17.238 8.030 3.482 570 HG2 ARG 73 HG2 ARG 73 16.917 6.185 5.863 571 HG3 ARG 73 HG3 ARG 73 18.025 5.928 4.520 572 HD2 ARG 73 HD2 ARG 73 19.217 6.863 6.452 573 HD3 ARG 73 HD3 ARG 73 19.220 8.014 5.121 574 HE ARG 73 HE ARG 73 17.060 8.379 6.953 575 HH11 ARG 73 HH11 ARG 73 20.480 9.162 6.558 576 HH12 ARG 73 HH12 ARG 73 20.382 10.694 7.291 577 HH21 ARG 73 HH21 ARG 73 16.857 10.465 7.882 578 HH22 ARG 73 HH22 ARG 73 18.212 11.481 8.093 579 H LYS 74 H LYS 74 13.388 8.666 4.131 580 HA LYS 74 HA LYS 74 13.707 11.220 2.826 581 HB2 LYS 74 HB2 LYS 74 13.972 9.825 0.958 582 HB3 LYS 74 HB3 LYS 74 12.766 8.682 1.518 583 HG2 LYS 74 HG2 LYS 74 12.019 9.976 -0.444 584 HG3 LYS 74 HG3 LYS 74 10.988 10.206 0.961 585 HD2 LYS 74 HD2 LYS 74 12.217 12.352 1.409 586 HD3 LYS 74 HD3 LYS 74 13.055 12.127 -0.131 587 HE2 LYS 74 HE2 LYS 74 11.121 13.617 -0.383 588 HE3 LYS 74 HE3 LYS 74 10.910 12.131 -1.307 589 HZ1 LYS 74 HZ1 LYS 74 9.536 12.841 1.277 590 HZ2 LYS 74 HZ2 LYS 74 9.640 11.292 0.645 591 HZ3 LYS 74 HZ3 LYS 74 8.854 12.411 -0.236 592 H LYS 75 H LYS 75 12.573 12.266 4.319 593 HA LYS 75 HA LYS 75 9.763 11.591 4.348 594 HB2 LYS 75 HB2 LYS 75 9.500 12.924 6.411 595 HB3 LYS 75 HB3 LYS 75 10.800 11.779 6.640 596 HG2 LYS 75 HG2 LYS 75 11.780 13.603 7.569 597 HG3 LYS 75 HG3 LYS 75 12.237 13.914 5.892 598 HD2 LYS 75 HD2 LYS 75 9.914 15.137 5.808 599 HD3 LYS 75 HD3 LYS 75 10.126 15.224 7.557 600 HE2 LYS 75 HE2 LYS 75 10.969 17.231 6.453 601 HE3 LYS 75 HE3 LYS 75 12.280 16.335 7.230 602 HZ1 LYS 75 HZ1 LYS 75 11.590 15.856 4.424 603 HZ2 LYS 75 HZ2 LYS 75 13.043 15.545 5.173 604 HZ3 LYS 75 HZ3 LYS 75 12.604 17.155 4.794 605 H1 ALA 1 H1 ALA 1 12.761 -19.505 6.883 606 H2 ALA 1 H2 ALA 1 11.766 -20.285 8.041 607 H3 ALA 1 H3 ALA 1 12.416 -18.731 8.322 608 HA ALA 1 HA ALA 1 10.534 -19.251 6.152 609 HB1 ALA 1 HB1 ALA 1 9.424 -19.513 8.332 610 HB2 ALA 1 HB2 ALA 1 8.927 -18.009 7.558 611 HB3 ALA 1 HB3 ALA 1 10.106 -17.978 8.869 612 H ARG 2 H ARG 2 9.756 -17.027 5.379 613 HA ARG 2 HA ARG 2 12.056 -15.207 5.427 614 HB2 ARG 2 HB2 ARG 2 9.690 -15.293 3.528 615 HB3 ARG 2 HB3 ARG 2 11.036 -14.180 3.425 616 HG2 ARG 2 HG2 ARG 2 12.540 -16.076 2.954 617 HG3 ARG 2 HG3 ARG 2 11.150 -17.165 3.015 618 HD2 ARG 2 HD2 ARG 2 11.532 -14.864 1.085 619 HD3 ARG 2 HD3 ARG 2 11.673 -16.578 0.697 620 HE ARG 2 HE ARG 2 9.241 -16.664 1.444 621 HH11 ARG 2 HH11 ARG 2 10.637 -13.891 -0.334 622 HH12 ARG 2 HH12 ARG 2 9.105 -13.343 -0.873 623 HH21 ARG 2 HH21 ARG 2 7.140 -15.827 0.599 624 HH22 ARG 2 HH22 ARG 2 7.204 -14.404 -0.335 625 H THR 3 H THR 3 11.740 -13.781 7.100 626 HA THR 3 HA THR 3 9.106 -12.915 7.829 627 HB THR 3 HB THR 3 11.761 -11.789 8.769 628 HG1 THR 3 HG1 THR 3 11.115 -13.616 10.455 629 HG21 THR 3 HG21 THR 3 10.524 -11.483 10.881 630 HG22 THR 3 HG22 THR 3 9.093 -12.216 10.154 631 HG23 THR 3 HG23 THR 3 9.693 -10.670 9.553 632 H LYS 4 H LYS 4 8.993 -12.235 5.452 633 HA LYS 4 HA LYS 4 10.276 -9.701 4.867 634 HB2 LYS 4 HB2 LYS 4 10.321 -11.626 3.212 635 HB3 LYS 4 HB3 LYS 4 8.591 -11.408 3.015 636 HG2 LYS 4 HG2 LYS 4 8.943 -9.177 2.114 637 HG3 LYS 4 HG3 LYS 4 10.678 -9.311 2.399 638 HD2 LYS 4 HD2 LYS 4 10.736 -11.243 0.834 639 HD3 LYS 4 HD3 LYS 4 9.015 -10.994 0.535 640 HE2 LYS 4 HE2 LYS 4 9.444 -8.798 -0.371 641 HE3 LYS 4 HE3 LYS 4 11.168 -8.966 -0.030 642 HZ1 LYS 4 HZ1 LYS 4 9.645 -10.784 -1.830 643 HZ2 LYS 4 HZ2 LYS 4 11.354 -10.687 -1.631 644 HZ3 LYS 4 HZ3 LYS 4 10.575 -9.482 -2.382 645 H GLN 5 H GLN 5 8.873 -8.130 3.744 646 HA GLN 5 HA GLN 5 6.510 -7.701 5.368 647 HB2 GLN 5 HB2 GLN 5 6.647 -5.425 4.387 648 HB3 GLN 5 HB3 GLN 5 7.956 -5.808 5.506 649 HG2 GLN 5 HG2 GLN 5 8.132 -5.859 2.483 650 HG3 GLN 5 HG3 GLN 5 8.618 -4.492 3.483 651 HE21 GLN 5 HE21 GLN 5 10.176 -6.126 1.622 652 HE22 GLN 5 HE22 GLN 5 11.502 -6.724 2.516 653 H THR 6 H THR 6 4.496 -7.326 4.441 654 HA THR 6 HA THR 6 4.375 -7.338 1.558 655 HB THR 6 HB THR 6 2.569 -8.908 1.500 656 HG1 THR 6 HG1 THR 6 1.308 -9.107 3.244 657 HG21 THR 6 HG21 THR 6 4.789 -10.012 1.755 658 HG22 THR 6 HG22 THR 6 3.476 -10.987 2.401 659 HG23 THR 6 HG23 THR 6 4.519 -10.085 3.495 660 H ALA 7 H ALA 7 2.117 -6.453 0.917 661 HA ALA 7 HA ALA 7 0.833 -4.857 2.940 662 HB1 ALA 7 HB1 ALA 7 2.577 -3.323 2.162 663 HB2 ALA 7 HB2 ALA 7 1.000 -2.781 1.591 664 HB3 ALA 7 HB3 ALA 7 2.106 -3.601 0.488 665 H ARG 8 H ARG 8 -1.003 -3.637 1.629 666 HA ARG 8 HA ARG 8 -2.615 -5.776 0.728 667 HB2 ARG 8 HB2 ARG 8 -3.125 -2.806 0.447 668 HB3 ARG 8 HB3 ARG 8 -4.277 -4.052 0.049 669 HG2 ARG 8 HG2 ARG 8 -4.103 -4.757 2.515 670 HG3 ARG 8 HG3 ARG 8 -3.238 -3.217 2.717 671 HD2 ARG 8 HD2 ARG 8 -5.675 -3.036 3.147 672 HD3 ARG 8 HD3 ARG 8 -5.051 -1.948 1.911 673 HE ARG 8 HE ARG 8 -6.462 -4.477 1.251 674 HH11 ARG 8 HH11 ARG 8 -5.807 -1.100 0.482 675 HH12 ARG 8 HH12 ARG 8 -7.109 -0.905 -0.599 676 HH21 ARG 8 HH21 ARG 8 -8.141 -4.303 -0.289 677 HH22 ARG 8 HH22 ARG 8 -8.518 -2.850 -1.077 678 H M3L 9 H M3L 9 -1.457 -2.985 -1.207 679 HA M3L 9 HA M3L 9 -1.343 -2.597 -3.374 680 HB2 M3L 9 1HB M3L 9 -0.720 -4.896 -4.023 681 HB3 M3L 9 2HB M3L 9 -2.424 -5.338 -4.023 682 HG2 M3L 9 1HG M3L 9 -1.726 -3.001 -5.684 683 HG3 M3L 9 2HG M3L 9 -2.845 -4.323 -5.999 684 HD2 M3L 9 1HD M3L 9 -0.376 -3.955 -7.172 685 HD3 M3L 9 2HD M3L 9 -0.056 -5.198 -5.969 686 HE2 M3L 9 1HE M3L 9 -2.236 -5.240 -8.061 687 HE3 M3L 9 2HE M3L 9 -2.021 -6.451 -6.841 688 HM11 M3L 9 1HM1 M3L 9 -0.453 -8.210 -9.794 689 HM12 M3L 9 2HM1 M3L 9 -1.509 -8.407 -8.414 690 HM13 M3L 9 3HM1 M3L 9 -1.974 -7.351 -9.690 691 HM21 M3L 9 1HM2 M3L 9 1.132 -7.913 -7.966 692 HM22 M3L 9 2HM2 M3L 9 0.361 -7.301 -6.535 693 HM23 M3L 9 3HM2 M3L 9 1.493 -6.301 -7.385 694 HM31 M3L 9 3HM3 M3L 9 1.036 -5.942 -9.848 695 HM32 M3L 9 1HM3 M3L 9 -0.536 -5.261 -10.200 696 HM33 M3L 9 2HM3 M3L 9 0.467 -4.580 -8.955 697 H SER 10 H SER 10 -2.641 -1.109 -2.884 698 HA SER 10 HA SER 10 -5.248 -1.365 -2.036 699 HB2 SER 10 HB2 SER 10 -3.896 0.560 -1.483 700 HB3 SER 10 HB3 SER 10 -3.925 1.099 -3.164 701 HG SER 10 HG SER 10 -5.584 2.154 -2.509 702 H THR 11 H THR 11 -6.346 -2.640 -3.424 703 HA THR 11 HA THR 11 -7.236 -1.507 -5.895 704 HB THR 11 HB THR 11 -8.321 -3.905 -4.351 705 HG1 THR 11 HG1 THR 11 -6.333 -4.568 -4.923 706 HG21 THR 11 HG21 THR 11 -9.882 -3.016 -6.063 707 HG22 THR 11 HG22 THR 11 -9.250 -4.595 -6.526 708 HG23 THR 11 HG23 THR 11 -8.606 -3.135 -7.277 709 H GLY 12 H GLY 12 -7.687 0.455 -4.743 710 HA2 GLY 12 HA2 GLY 12 -10.459 0.520 -3.803 711 HA3 GLY 12 HA3 GLY 12 -9.198 1.336 -2.874 712 H GLY 13 H GLY 13 -11.376 2.668 -4.011 713 HA2 GLY 13 HA2 GLY 13 -11.500 4.768 -5.039 714 HA3 GLY 13 HA3 GLY 13 -9.910 4.480 -5.752 715 H LYS 14 H LYS 14 -12.526 2.186 -5.827 716 HA LYS 14 HA LYS 14 -13.409 2.856 -8.462 717 HB2 LYS 14 HB2 LYS 14 -12.401 0.034 -7.841 718 HB3 LYS 14 HB3 LYS 14 -13.114 0.572 -9.346 719 HG2 LYS 14 HG2 LYS 14 -10.946 0.576 -10.004 720 HG3 LYS 14 HG3 LYS 14 -10.965 2.182 -9.276 721 HD2 LYS 14 HD2 LYS 14 -10.213 1.088 -7.123 722 HD3 LYS 14 HD3 LYS 14 -9.961 -0.389 -8.054 723 HE2 LYS 14 HE2 LYS 14 -7.855 0.694 -7.935 724 HE3 LYS 14 HE3 LYS 14 -8.464 0.979 -9.567 725 HZ1 LYS 14 HZ1 LYS 14 -9.258 3.189 -8.780 726 HZ2 LYS 14 HZ2 LYS 14 -7.571 3.017 -8.652 727 HZ3 LYS 14 HZ3 LYS 14 -8.543 2.854 -7.284 728 H ALA 15 H ALA 15 -15.541 1.913 -8.692 729 HA ALA 15 HA ALA 15 -16.488 0.568 -6.288 730 HB1 ALA 15 HB1 ALA 15 -18.469 1.991 -6.207 731 HB2 ALA 15 HB2 ALA 15 -17.859 2.933 -7.568 732 HB3 ALA 15 HB3 ALA 15 -17.000 2.952 -6.028 733 HA PRO 16 HA PRO 16 -18.203 -1.732 -9.793 734 HB2 PRO 16 HB2 PRO 16 -18.431 -3.956 -7.927 735 HB3 PRO 16 HB3 PRO 16 -17.375 -3.832 -9.348 736 HG2 PRO 16 HG2 PRO 16 -16.419 -3.875 -6.821 737 HG3 PRO 16 HG3 PRO 16 -15.605 -3.050 -8.166 738 HD2 PRO 16 HD2 PRO 16 -17.292 -1.878 -5.996 739 HD3 PRO 16 HD3 PRO 16 -15.788 -1.271 -6.731 740 H ARG 17 H ARG 17 -20.150 -0.692 -9.855 741 HA ARG 17 HA ARG 17 -22.261 -1.843 -8.281 742 HB2 ARG 17 HB2 ARG 17 -23.221 0.581 -7.999 743 HB3 ARG 17 HB3 ARG 17 -22.081 -0.059 -6.839 744 HG2 ARG 17 HG2 ARG 17 -21.663 2.304 -7.406 745 HG3 ARG 17 HG3 ARG 17 -20.298 1.267 -7.779 746 HD2 ARG 17 HD2 ARG 17 -20.617 2.937 -9.513 747 HD3 ARG 17 HD3 ARG 17 -20.912 1.329 -10.153 748 HE ARG 17 HE ARG 17 -23.399 1.985 -9.766 749 HH11 ARG 17 HH11 ARG 17 -20.918 4.328 -10.669 750 HH12 ARG 17 HH12 ARG 17 -21.955 5.212 -11.705 751 HH21 ARG 17 HH21 ARG 17 -24.724 3.059 -11.160 752 HH22 ARG 17 HH22 ARG 17 -24.272 4.459 -12.005 753 H TYR 18 H TYR 18 -24.399 -0.771 -8.994 754 HA TYR 18 HA TYR 18 -24.506 -0.885 -11.892 755 HB2 TYR 18 HB2 TYR 18 -26.686 -0.950 -9.773 756 HB3 TYR 18 HB3 TYR 18 -26.954 -1.092 -11.503 757 HD1 TYR 18 HD2 TYR 18 -26.248 -3.137 -12.696 758 HD2 TYR 18 HD1 TYR 18 -25.954 -2.819 -8.465 759 HE1 TYR 18 HE2 TYR 18 -26.023 -5.580 -12.533 760 HE2 TYR 18 HE1 TYR 18 -25.725 -5.259 -8.290 761 HH TYR 18 HH TYR 18 -25.113 -7.241 -10.971 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -11.004 -16.781 -31.787 2 H2 MET 1 H2 MET 1 -12.632 -16.569 -32.289 3 H3 MET 1 H3 MET 1 -12.243 -17.319 -30.800 4 HA MET 1 HA MET 1 -11.557 -14.544 -31.347 5 HB2 MET 1 HB2 MET 1 -14.016 -14.820 -31.230 6 HB3 MET 1 HB3 MET 1 -13.849 -15.771 -29.764 7 HG2 MET 1 HG2 MET 1 -14.594 -13.443 -29.362 8 HG3 MET 1 HG3 MET 1 -13.090 -13.852 -28.536 9 HE1 MET 1 HE1 MET 1 -12.621 -10.061 -29.431 10 HE2 MET 1 HE2 MET 1 -12.625 -11.259 -28.135 11 HE3 MET 1 HE3 MET 1 -14.125 -10.860 -28.973 12 H VAL 2 H VAL 2 -10.614 -13.584 -29.443 13 HA VAL 2 HA VAL 2 -9.298 -15.544 -27.813 14 HB VAL 2 HB VAL 2 -8.140 -13.540 -26.764 15 HG11 VAL 2 HG11 VAL 2 -6.746 -13.044 -28.728 16 HG12 VAL 2 HG12 VAL 2 -7.968 -13.776 -29.767 17 HG13 VAL 2 HG13 VAL 2 -7.104 -14.765 -28.590 18 HG21 VAL 2 HG21 VAL 2 -9.864 -11.837 -27.204 19 HG22 VAL 2 HG22 VAL 2 -9.586 -11.997 -28.937 20 HG23 VAL 2 HG23 VAL 2 -8.313 -11.358 -27.897 21 H SER 3 H SER 3 -10.337 -16.396 -26.190 22 HA SER 3 HA SER 3 -11.751 -14.708 -24.334 23 HB2 SER 3 HB2 SER 3 -13.053 -17.092 -25.698 24 HB3 SER 3 HB3 SER 3 -13.779 -16.079 -24.446 25 HG SER 3 HG SER 3 -13.033 -14.402 -26.206 26 H VAL 4 H VAL 4 -11.431 -15.490 -22.285 27 HA VAL 4 HA VAL 4 -10.865 -18.229 -21.799 28 HB VAL 4 HB VAL 4 -8.633 -17.286 -22.512 29 HG11 VAL 4 HG11 VAL 4 -7.422 -15.743 -21.048 30 HG12 VAL 4 HG12 VAL 4 -8.893 -15.517 -20.102 31 HG13 VAL 4 HG13 VAL 4 -8.846 -15.011 -21.791 32 HG21 VAL 4 HG21 VAL 4 -8.781 -18.122 -19.614 33 HG22 VAL 4 HG22 VAL 4 -7.319 -18.133 -20.601 34 HG23 VAL 4 HG23 VAL 4 -8.666 -19.197 -21.007 35 H LYS 5 H LYS 5 -10.830 -18.543 -19.421 36 HA LYS 5 HA LYS 5 -12.306 -16.386 -18.083 37 HB2 LYS 5 HB2 LYS 5 -12.282 -19.371 -17.542 38 HB3 LYS 5 HB3 LYS 5 -13.170 -18.191 -16.594 39 HG2 LYS 5 HG2 LYS 5 -14.524 -17.642 -18.566 40 HG3 LYS 5 HG3 LYS 5 -13.635 -18.846 -19.498 41 HD2 LYS 5 HD2 LYS 5 -14.419 -20.603 -17.982 42 HD3 LYS 5 HD3 LYS 5 -15.296 -19.401 -17.036 43 HE2 LYS 5 HE2 LYS 5 -16.665 -18.863 -19.000 44 HE3 LYS 5 HE3 LYS 5 -15.789 -20.072 -19.938 45 HZ1 LYS 5 HZ1 LYS 5 -17.444 -20.622 -17.530 46 HZ2 LYS 5 HZ2 LYS 5 -16.619 -21.784 -18.441 47 HZ3 LYS 5 HZ3 LYS 5 -17.901 -20.924 -19.130 48 HA PRO 6 HA PRO 6 -8.876 -16.166 -15.258 49 HB2 PRO 6 HB2 PRO 6 -10.152 -15.651 -12.880 50 HB3 PRO 6 HB3 PRO 6 -9.900 -14.409 -14.124 51 HG2 PRO 6 HG2 PRO 6 -12.345 -15.961 -13.502 52 HG3 PRO 6 HG3 PRO 6 -12.172 -14.268 -14.007 53 HD2 PRO 6 HD2 PRO 6 -12.942 -16.222 -15.711 54 HD3 PRO 6 HD3 PRO 6 -12.034 -14.789 -16.225 55 H LEU 7 H LEU 7 -7.830 -17.947 -14.712 56 HA LEU 7 HA LEU 7 -9.284 -20.113 -13.439 57 HB2 LEU 7 HB2 LEU 7 -6.509 -20.046 -14.646 58 HB3 LEU 7 HB3 LEU 7 -7.286 -21.468 -13.985 59 HG LEU 7 HG LEU 7 -8.195 -19.936 -16.425 60 HD11 LEU 7 HD11 LEU 7 -6.155 -21.180 -16.819 61 HD12 LEU 7 HD12 LEU 7 -7.515 -21.934 -17.652 62 HD13 LEU 7 HD13 LEU 7 -6.895 -22.638 -16.159 63 HD21 LEU 7 HD21 LEU 7 -10.100 -20.910 -15.253 64 HD22 LEU 7 HD22 LEU 7 -9.282 -22.469 -15.183 65 HD23 LEU 7 HD23 LEU 7 -9.775 -21.803 -16.739 66 HA PRO 8 HA PRO 8 -7.129 -19.176 -9.690 67 HB2 PRO 8 HB2 PRO 8 -7.532 -21.624 -8.421 68 HB3 PRO 8 HB3 PRO 8 -8.713 -20.306 -8.496 69 HG2 PRO 8 HG2 PRO 8 -8.945 -22.846 -9.702 70 HG3 PRO 8 HG3 PRO 8 -10.028 -21.457 -9.888 71 HD2 PRO 8 HD2 PRO 8 -7.895 -22.418 -11.691 72 HD3 PRO 8 HD3 PRO 8 -9.373 -21.501 -12.056 73 H ASP 9 H ASP 9 -4.989 -18.978 -9.657 74 HA ASP 9 HA ASP 9 -3.165 -21.196 -10.117 75 HB2 ASP 9 HB2 ASP 9 -2.553 -18.895 -10.807 76 HB3 ASP 9 HB3 ASP 9 -2.721 -18.347 -9.146 77 H ILE 10 H ILE 10 -4.470 -19.275 -7.571 78 HA ILE 10 HA ILE 10 -3.215 -20.788 -5.448 79 HB ILE 10 HB ILE 10 -5.396 -18.655 -5.326 80 HG12 ILE 10 HG12 ILE 10 -3.377 -17.700 -6.323 81 HG13 ILE 10 HG13 ILE 10 -3.625 -17.049 -4.710 82 HG21 ILE 10 HG21 ILE 10 -3.607 -19.701 -3.131 83 HG22 ILE 10 HG22 ILE 10 -5.335 -20.006 -3.301 84 HG23 ILE 10 HG23 ILE 10 -4.756 -18.374 -2.967 85 HD11 ILE 10 HD11 ILE 10 -1.280 -17.505 -5.113 86 HD12 ILE 10 HD12 ILE 10 -1.644 -19.186 -5.490 87 HD13 ILE 10 HD13 ILE 10 -1.894 -18.577 -3.853 88 H ASP 11 H ASP 11 -4.544 -22.087 -4.008 89 HA ASP 11 HA ASP 11 -6.309 -23.800 -5.353 90 HB2 ASP 11 HB2 ASP 11 -4.994 -24.594 -3.463 91 HB3 ASP 11 HB3 ASP 11 -5.830 -23.489 -2.376 92 H SER 12 H SER 12 -8.533 -24.346 -4.672 93 HA SER 12 HA SER 12 -10.139 -21.983 -4.993 94 HB2 SER 12 HB2 SER 12 -10.557 -23.994 -6.350 95 HB3 SER 12 HB3 SER 12 -10.966 -24.892 -4.891 96 HG SER 12 HG SER 12 -12.492 -22.936 -4.678 97 H ASN 13 H ASN 13 -9.130 -23.795 -2.293 98 HA ASN 13 HA ASN 13 -11.463 -23.235 -0.695 99 HB2 ASN 13 HB2 ASN 13 -8.751 -24.367 0.056 100 HB3 ASN 13 HB3 ASN 13 -10.048 -24.100 1.212 101 HD21 ASN 13 HD21 ASN 13 -8.920 -26.004 -1.422 102 HD22 ASN 13 HD22 ASN 13 -10.065 -27.300 -1.276 103 H GLU 14 H GLU 14 -11.001 -22.090 1.517 104 HA GLU 14 HA GLU 14 -10.002 -19.503 0.694 105 HB2 GLU 14 HB2 GLU 14 -11.425 -20.370 3.220 106 HB3 GLU 14 HB3 GLU 14 -11.029 -18.712 2.794 107 HG2 GLU 14 HG2 GLU 14 -12.495 -18.854 0.852 108 HG3 GLU 14 HG3 GLU 14 -12.886 -20.522 1.266 109 H GLY 15 H GLY 15 -8.186 -18.734 1.299 110 HA2 GLY 15 HA2 GLY 15 -6.621 -20.053 3.395 111 HA3 GLY 15 HA3 GLY 15 -5.943 -19.804 1.791 112 H GLU 16 H GLU 16 -5.118 -17.881 1.256 113 HA GLU 16 HA GLU 16 -4.868 -16.006 3.464 114 HB2 GLU 16 HB2 GLU 16 -3.029 -16.582 1.144 115 HB3 GLU 16 HB3 GLU 16 -2.756 -15.342 2.362 116 HG2 GLU 16 HG2 GLU 16 -2.650 -17.052 4.094 117 HG3 GLU 16 HG3 GLU 16 -2.951 -18.299 2.888 118 H THR 17 H THR 17 -4.729 -13.820 2.969 119 HA THR 17 HA THR 17 -6.804 -12.933 1.232 120 HB THR 17 HB THR 17 -4.966 -11.169 2.829 121 HG1 THR 17 HG1 THR 17 -7.099 -12.780 3.855 122 HG21 THR 17 HG21 THR 17 -6.835 -10.156 1.539 123 HG22 THR 17 HG22 THR 17 -7.075 -9.972 3.277 124 HG23 THR 17 HG23 THR 17 -7.973 -11.203 2.389 125 H ASP 18 H ASP 18 -4.199 -13.918 -0.115 126 HA ASP 18 HA ASP 18 -2.442 -11.871 -0.866 127 HB2 ASP 18 HB2 ASP 18 -1.684 -13.341 -2.625 128 HB3 ASP 18 HB3 ASP 18 -2.077 -14.335 -1.226 129 H ALA 19 H ALA 19 -5.479 -12.815 -2.233 130 HA ALA 19 HA ALA 19 -5.566 -11.423 -4.613 131 HB1 ALA 19 HB1 ALA 19 -7.308 -12.979 -3.865 132 HB2 ALA 19 HB2 ALA 19 -7.984 -11.450 -4.427 133 HB3 ALA 19 HB3 ALA 19 -7.864 -11.780 -2.698 134 H ASP 20 H ASP 20 -5.706 -10.094 -1.397 135 HA ASP 20 HA ASP 20 -6.113 -7.402 -2.560 136 HB2 ASP 20 HB2 ASP 20 -8.156 -8.275 -1.363 137 HB3 ASP 20 HB3 ASP 20 -7.197 -8.424 0.092 138 H VAL 21 H VAL 21 -3.834 -9.321 -1.446 139 HA VAL 21 HA VAL 21 -2.304 -7.207 -0.159 140 HB VAL 21 HB VAL 21 -2.545 -9.947 1.139 141 HG11 VAL 21 HG11 VAL 21 -0.995 -7.520 2.014 142 HG12 VAL 21 HG12 VAL 21 -0.330 -9.020 1.368 143 HG13 VAL 21 HG13 VAL 21 -1.150 -9.021 2.930 144 HG21 VAL 21 HG21 VAL 21 -3.579 -8.835 3.070 145 HG22 VAL 21 HG22 VAL 21 -4.538 -8.632 1.596 146 HG23 VAL 21 HG23 VAL 21 -3.549 -7.301 2.190 147 H TYR 22 H TYR 22 -0.550 -7.135 -1.336 148 HA TYR 22 HA TYR 22 0.566 -9.643 -2.351 149 HB2 TYR 22 HB2 TYR 22 0.598 -6.911 -3.614 150 HB3 TYR 22 HB3 TYR 22 1.639 -8.226 -4.152 151 HD1 TYR 22 HD1 TYR 22 -1.828 -7.022 -3.962 152 HD2 TYR 22 HD2 TYR 22 0.740 -10.112 -5.342 153 HE1 TYR 22 HE1 TYR 22 -3.636 -7.875 -5.395 154 HE2 TYR 22 HE2 TYR 22 -1.056 -10.974 -6.773 155 HH TYR 22 HH TYR 22 -3.614 -10.856 -6.734 156 H GLU 23 H GLU 23 2.949 -9.581 -2.737 157 HA GLU 23 HA GLU 23 4.177 -8.880 -0.298 158 HB2 GLU 23 HB2 GLU 23 5.163 -10.012 -2.809 159 HB3 GLU 23 HB3 GLU 23 6.272 -9.616 -1.485 160 HG2 GLU 23 HG2 GLU 23 5.176 -11.120 -0.087 161 HG3 GLU 23 HG3 GLU 23 3.904 -11.379 -1.275 162 H VAL 24 H VAL 24 5.610 -7.631 0.096 163 HA VAL 24 HA VAL 24 6.020 -5.340 -1.725 164 HB VAL 24 HB VAL 24 6.288 -5.389 1.301 165 HG11 VAL 24 HG11 VAL 24 8.102 -4.011 0.347 166 HG12 VAL 24 HG12 VAL 24 6.878 -3.020 1.154 167 HG13 VAL 24 HG13 VAL 24 6.908 -3.124 -0.609 168 HG21 VAL 24 HG21 VAL 24 4.571 -3.672 1.154 169 HG22 VAL 24 HG22 VAL 24 4.050 -5.190 0.418 170 HG23 VAL 24 HG23 VAL 24 4.570 -3.845 -0.598 171 H GLU 25 H GLU 25 7.750 -5.524 -2.909 172 HA GLU 25 HA GLU 25 10.024 -6.962 -1.993 173 HB2 GLU 25 HB2 GLU 25 9.100 -6.599 -4.428 174 HB3 GLU 25 HB3 GLU 25 9.986 -5.095 -4.341 175 HG2 GLU 25 HG2 GLU 25 12.054 -6.167 -4.207 176 HG3 GLU 25 HG3 GLU 25 11.316 -7.724 -3.811 177 H ASP 26 H ASP 26 9.402 -3.496 -2.839 178 HA ASP 26 HA ASP 26 10.482 -2.473 -0.445 179 HB2 ASP 26 HB2 ASP 26 12.593 -3.341 -1.847 180 HB3 ASP 26 HB3 ASP 26 12.351 -1.829 -2.713 181 H ILE 27 H ILE 27 11.039 -0.003 -0.882 182 HA ILE 27 HA ILE 27 8.799 1.048 -2.501 183 HB ILE 27 HB ILE 27 10.570 2.769 -0.710 184 HG12 ILE 27 HG12 ILE 27 9.717 0.943 0.699 185 HG13 ILE 27 HG13 ILE 27 9.016 2.492 1.144 186 HG21 ILE 27 HG21 ILE 27 7.716 3.090 -1.622 187 HG22 ILE 27 HG22 ILE 27 9.116 3.948 -2.246 188 HG23 ILE 27 HG23 ILE 27 8.597 4.206 -0.584 189 HD11 ILE 27 HD11 ILE 27 6.964 1.875 -0.049 190 HD12 ILE 27 HD12 ILE 27 7.363 0.725 1.228 191 HD13 ILE 27 HD13 ILE 27 7.682 0.316 -0.457 192 H LEU 28 H LEU 28 9.192 2.466 -4.168 193 HA LEU 28 HA LEU 28 12.001 2.683 -4.958 194 HB2 LEU 28 HB2 LEU 28 9.501 2.899 -6.599 195 HB3 LEU 28 HB3 LEU 28 11.122 3.117 -7.251 196 HG LEU 28 HG LEU 28 9.956 0.579 -6.092 197 HD11 LEU 28 HD11 LEU 28 9.071 1.121 -8.274 198 HD12 LEU 28 HD12 LEU 28 10.152 -0.269 -8.370 199 HD13 LEU 28 HD13 LEU 28 10.703 1.318 -8.908 200 HD21 LEU 28 HD21 LEU 28 12.342 0.698 -5.595 201 HD22 LEU 28 HD22 LEU 28 12.690 1.083 -7.279 202 HD23 LEU 28 HD23 LEU 28 12.035 -0.498 -6.854 203 H ALA 29 H ALA 29 9.175 4.592 -4.183 204 HA ALA 29 HA ALA 29 10.710 6.873 -3.576 205 HB1 ALA 29 HB1 ALA 29 8.964 7.088 -6.050 206 HB2 ALA 29 HB2 ALA 29 10.723 7.193 -6.027 207 HB3 ALA 29 HB3 ALA 29 9.757 8.438 -5.237 208 H ASP 30 H ASP 30 8.983 8.797 -3.196 209 HA ASP 30 HA ASP 30 6.409 7.698 -2.442 210 HB2 ASP 30 HB2 ASP 30 6.469 8.576 -0.189 211 HB3 ASP 30 HB3 ASP 30 7.892 7.568 -0.430 212 H ARG 31 H ARG 31 4.884 9.469 -1.780 213 HA ARG 31 HA ARG 31 5.518 12.145 -2.520 214 HB2 ARG 31 HB2 ARG 31 5.320 11.150 -4.769 215 HB3 ARG 31 HB3 ARG 31 3.776 10.451 -4.343 216 HG2 ARG 31 HG2 ARG 31 3.958 13.409 -4.243 217 HG3 ARG 31 HG3 ARG 31 4.054 12.661 -5.837 218 HD2 ARG 31 HD2 ARG 31 1.845 12.307 -3.807 219 HD3 ARG 31 HD3 ARG 31 1.743 13.198 -5.327 220 HE ARG 31 HE ARG 31 2.492 10.764 -6.143 221 HH11 ARG 31 HH11 ARG 31 -0.314 11.917 -4.266 222 HH12 ARG 31 HH12 ARG 31 -1.146 10.452 -4.413 223 HH21 ARG 31 HH21 ARG 31 1.183 8.736 -6.396 224 HH22 ARG 31 HH22 ARG 31 -0.304 8.678 -5.570 225 H VAL 32 H VAL 32 3.552 13.525 -2.204 226 HA VAL 32 HA VAL 32 1.598 12.282 -0.404 227 HB VAL 32 HB VAL 32 2.967 14.943 0.134 228 HG11 VAL 32 HG11 VAL 32 1.948 14.790 2.360 229 HG12 VAL 32 HG12 VAL 32 1.142 13.299 1.874 230 HG13 VAL 32 HG13 VAL 32 0.745 14.816 1.070 231 HG21 VAL 32 HG21 VAL 32 4.627 13.189 0.438 232 HG22 VAL 32 HG22 VAL 32 3.524 12.295 1.482 233 HG23 VAL 32 HG23 VAL 32 4.160 13.856 2.004 234 H ASN 33 H ASN 33 -0.435 13.171 -0.629 235 HA ASN 33 HA ASN 33 -0.843 14.963 -2.911 236 HB2 ASN 33 HB2 ASN 33 -2.857 13.800 -0.962 237 HB3 ASN 33 HB3 ASN 33 -3.248 14.697 -2.417 238 HD21 ASN 33 HD21 ASN 33 -2.250 11.652 -1.079 239 HD22 ASN 33 HD22 ASN 33 -2.451 10.744 -2.513 240 H LYS 34 H LYS 34 -2.543 16.759 -2.462 241 HA LYS 34 HA LYS 34 -1.624 18.268 -0.143 242 HB2 LYS 34 HB2 LYS 34 -2.046 19.284 -2.507 243 HB3 LYS 34 HB3 LYS 34 -3.746 19.250 -2.046 244 HG2 LYS 34 HG2 LYS 34 -2.762 20.437 0.136 245 HG3 LYS 34 HG3 LYS 34 -1.532 20.939 -1.015 246 HD2 LYS 34 HD2 LYS 34 -3.177 22.659 -0.946 247 HD3 LYS 34 HD3 LYS 34 -3.408 21.797 -2.470 248 HE2 LYS 34 HE2 LYS 34 -5.541 22.288 -1.302 249 HE3 LYS 34 HE3 LYS 34 -5.283 20.564 -1.538 250 HZ1 LYS 34 HZ1 LYS 34 -6.102 21.102 0.710 251 HZ2 LYS 34 HZ2 LYS 34 -4.713 22.017 1.010 252 HZ3 LYS 34 HZ3 LYS 34 -4.594 20.354 0.760 253 H ASN 35 H ASN 35 -4.146 16.247 -1.099 254 HA ASN 35 HA ASN 35 -6.224 17.175 0.561 255 HB2 ASN 35 HB2 ASN 35 -6.548 15.752 -1.459 256 HB3 ASN 35 HB3 ASN 35 -5.777 14.420 -0.617 257 HD21 ASN 35 HD21 ASN 35 -7.983 16.619 0.992 258 HD22 ASN 35 HD22 ASN 35 -9.250 15.453 1.170 259 H GLY 36 H GLY 36 -3.352 15.315 1.147 260 HA2 GLY 36 HA2 GLY 36 -2.597 15.222 3.431 261 HA3 GLY 36 HA3 GLY 36 -4.262 14.971 3.920 262 H ILE 37 H ILE 37 -3.173 13.196 1.169 263 HA ILE 37 HA ILE 37 -2.897 10.783 2.846 264 HB ILE 37 HB ILE 37 -3.691 11.024 -0.090 265 HG12 ILE 37 HG12 ILE 37 -5.790 9.750 0.817 266 HG13 ILE 37 HG13 ILE 37 -5.204 10.394 2.352 267 HG21 ILE 37 HG21 ILE 37 -2.368 9.059 0.211 268 HG22 ILE 37 HG22 ILE 37 -4.063 8.637 -0.087 269 HG23 ILE 37 HG23 ILE 37 -3.401 8.537 1.550 270 HD11 ILE 37 HD11 ILE 37 -5.434 12.634 1.562 271 HD12 ILE 37 HD12 ILE 37 -6.966 11.769 1.361 272 HD13 ILE 37 HD13 ILE 37 -5.907 12.042 -0.031 273 H ASN 38 H ASN 38 -0.987 9.767 2.727 274 HA ASN 38 HA ASN 38 0.756 10.682 0.632 275 HB2 ASN 38 HB2 ASN 38 2.787 9.954 1.917 276 HB3 ASN 38 HB3 ASN 38 1.933 11.312 2.615 277 HD21 ASN 38 HD21 ASN 38 -0.008 9.079 3.874 278 HD22 ASN 38 HD22 ASN 38 0.959 8.569 5.163 279 H GLU 39 H GLU 39 2.118 9.305 -0.547 280 HA GLU 39 HA GLU 39 1.064 6.576 -0.675 281 HB2 GLU 39 HB2 GLU 39 1.134 8.584 -2.929 282 HB3 GLU 39 HB3 GLU 39 0.872 6.862 -3.147 283 HG2 GLU 39 HG2 GLU 39 -1.182 6.968 -1.924 284 HG3 GLU 39 HG3 GLU 39 -0.839 8.656 -1.499 285 H TYR 40 H TYR 40 2.431 5.187 -1.860 286 HA TYR 40 HA TYR 40 5.142 6.274 -2.233 287 HB2 TYR 40 HB2 TYR 40 4.503 3.627 -0.962 288 HB3 TYR 40 HB3 TYR 40 6.073 4.414 -1.073 289 HD1 TYR 40 HD2 TYR 40 6.529 6.387 0.319 290 HD2 TYR 40 HD1 TYR 40 2.961 4.154 0.768 291 HE1 TYR 40 HE2 TYR 40 6.178 7.410 2.519 292 HE2 TYR 40 HE1 TYR 40 2.595 5.193 3.005 293 HH TYR 40 HH TYR 40 3.789 6.237 4.679 294 H TYR 41 H TYR 41 6.316 5.214 -3.774 295 HA TYR 41 HA TYR 41 4.845 3.734 -5.764 296 HB2 TYR 41 HB2 TYR 41 6.594 5.610 -6.151 297 HB3 TYR 41 HB3 TYR 41 7.797 4.398 -5.764 298 HD1 TYR 41 HD1 TYR 41 4.707 3.862 -7.779 299 HD2 TYR 41 HD2 TYR 41 8.936 4.319 -7.824 300 HE1 TYR 41 HE1 TYR 41 4.746 3.262 -10.153 301 HE2 TYR 41 HE2 TYR 41 8.977 3.703 -10.190 302 HH TYR 41 HH TYR 41 7.489 2.335 -11.682 303 H ILE 42 H ILE 42 4.464 1.680 -5.110 304 HA ILE 42 HA ILE 42 6.500 0.265 -3.530 305 HB ILE 42 HB ILE 42 3.736 -0.750 -4.179 306 HG12 ILE 42 HG12 ILE 42 3.490 1.460 -3.059 307 HG13 ILE 42 HG13 ILE 42 2.913 0.134 -2.058 308 HG21 ILE 42 HG21 ILE 42 5.661 -1.369 -1.935 309 HG22 ILE 42 HG22 ILE 42 5.324 -2.385 -3.334 310 HG23 ILE 42 HG23 ILE 42 4.060 -2.085 -2.139 311 HD11 ILE 42 HD11 ILE 42 5.507 1.612 -1.787 312 HD12 ILE 42 HD12 ILE 42 5.045 0.202 -0.845 313 HD13 ILE 42 HD13 ILE 42 4.108 1.692 -0.704 314 H LYS 43 H LYS 43 7.655 -1.383 -4.411 315 HA LYS 43 HA LYS 43 6.669 -2.419 -6.927 316 HB2 LYS 43 HB2 LYS 43 9.118 -1.694 -6.875 317 HB3 LYS 43 HB3 LYS 43 9.415 -3.050 -5.795 318 HG2 LYS 43 HG2 LYS 43 8.178 -3.461 -8.526 319 HG3 LYS 43 HG3 LYS 43 9.922 -3.389 -8.305 320 HD2 LYS 43 HD2 LYS 43 9.880 -5.332 -6.892 321 HD3 LYS 43 HD3 LYS 43 8.123 -5.305 -6.823 322 HE2 LYS 43 HE2 LYS 43 9.561 -5.651 -9.440 323 HE3 LYS 43 HE3 LYS 43 9.299 -7.024 -8.369 324 HZ1 LYS 43 HZ1 LYS 43 7.478 -6.817 -10.046 325 HZ2 LYS 43 HZ2 LYS 43 7.016 -5.328 -9.416 326 HZ3 LYS 43 HZ3 LYS 43 6.940 -6.660 -8.488 327 H TRP 44 H TRP 44 5.271 -3.883 -6.708 328 HA TRP 44 HA TRP 44 5.148 -5.508 -4.385 329 HB2 TRP 44 HB2 TRP 44 3.551 -5.636 -6.933 330 HB3 TRP 44 HB3 TRP 44 3.136 -6.403 -5.399 331 HD1 TRP 44 HD1 TRP 44 2.856 -3.134 -7.249 332 HE1 TRP 44 HE1 TRP 44 1.667 -1.416 -5.757 333 HE3 TRP 44 HE3 TRP 44 2.871 -5.766 -2.912 334 HZ2 TRP 44 HZ2 TRP 44 0.885 -1.224 -3.007 335 HZ3 TRP 44 HZ3 TRP 44 1.891 -4.772 -0.924 336 HH2 TRP 44 HH2 TRP 44 0.908 -2.538 -0.977 337 H ALA 45 H ALA 45 5.962 -7.398 -4.117 338 HA ALA 45 HA ALA 45 7.448 -8.650 -6.282 339 HB1 ALA 45 HB1 ALA 45 7.216 -9.372 -3.352 340 HB2 ALA 45 HB2 ALA 45 8.559 -8.501 -4.095 341 HB3 ALA 45 HB3 ALA 45 8.259 -10.186 -4.515 342 H GLY 46 H GLY 46 7.095 -10.924 -6.712 343 HA2 GLY 46 HA2 GLY 46 5.722 -12.839 -6.772 344 HA3 GLY 46 HA3 GLY 46 4.458 -11.924 -5.955 345 H TYR 47 H TYR 47 4.957 -9.645 -7.847 346 HA TYR 47 HA TYR 47 3.359 -10.767 -10.035 347 HB2 TYR 47 HB2 TYR 47 2.710 -8.583 -8.535 348 HB3 TYR 47 HB3 TYR 47 3.584 -7.824 -9.875 349 HD1 TYR 47 HD1 TYR 47 1.452 -10.591 -9.812 350 HD2 TYR 47 HD2 TYR 47 2.057 -6.887 -11.276 351 HE1 TYR 47 HE1 TYR 47 -0.641 -10.868 -11.216 352 HE2 TYR 47 HE2 TYR 47 0.103 -7.028 -12.768 353 HH TYR 47 HH TYR 47 -2.218 -9.519 -12.463 354 H ASP 48 H ASP 48 3.556 -9.312 -11.871 355 HA ASP 48 HA ASP 48 6.065 -9.670 -13.127 356 HB2 ASP 48 HB2 ASP 48 4.109 -9.402 -14.519 357 HB3 ASP 48 HB3 ASP 48 3.858 -7.755 -13.924 358 H TRP 49 H TRP 49 7.640 -8.222 -13.800 359 HA TRP 49 HA TRP 49 8.647 -6.663 -11.665 360 HB2 TRP 49 HB2 TRP 49 9.602 -6.795 -14.525 361 HB3 TRP 49 HB3 TRP 49 10.519 -6.186 -13.149 362 HD1 TRP 49 HD1 TRP 49 9.379 -9.420 -14.792 363 HE1 TRP 49 HE1 TRP 49 10.590 -11.397 -13.691 364 HE3 TRP 49 HE3 TRP 49 11.586 -6.943 -10.900 365 HZ2 TRP 49 HZ2 TRP 49 12.269 -11.854 -11.457 366 HZ3 TRP 49 HZ3 TRP 49 12.975 -8.224 -9.323 367 HH2 TRP 49 HH2 TRP 49 13.308 -10.627 -9.598 368 H TYR 50 H TYR 50 6.659 -5.806 -14.397 369 HA TYR 50 HA TYR 50 7.302 -2.978 -14.134 370 HB2 TYR 50 HB2 TYR 50 5.682 -4.478 -16.203 371 HB3 TYR 50 HB3 TYR 50 5.991 -2.746 -16.225 372 HD1 TYR 50 HD1 TYR 50 8.325 -1.927 -16.571 373 HD2 TYR 50 HD2 TYR 50 7.301 -6.032 -17.004 374 HE1 TYR 50 HE1 TYR 50 10.404 -2.308 -17.822 375 HE2 TYR 50 HE2 TYR 50 9.380 -6.426 -18.258 376 HH TYR 50 HH TYR 50 11.911 -4.186 -18.348 377 H ASP 51 H ASP 51 5.645 -4.613 -12.178 378 HA ASP 51 HA ASP 51 2.928 -3.737 -12.641 379 HB2 ASP 51 HB2 ASP 51 2.328 -5.122 -10.987 380 HB3 ASP 51 HB3 ASP 51 3.697 -6.017 -11.678 381 H ASN 52 H ASN 52 5.616 -2.696 -10.957 382 HA ASN 52 HA ASN 52 4.792 -1.677 -8.553 383 HB2 ASN 52 HB2 ASN 52 6.664 -0.097 -8.672 384 HB3 ASN 52 HB3 ASN 52 7.125 -1.682 -9.255 385 HD21 ASN 52 HD21 ASN 52 5.696 -0.979 -11.921 386 HD22 ASN 52 HD22 ASN 52 6.841 0.019 -12.725 387 H THR 53 H THR 53 3.760 0.069 -7.772 388 HA THR 53 HA THR 53 2.899 2.190 -9.506 389 HB THR 53 HB THR 53 1.216 0.456 -10.009 390 HG1 THR 53 HG1 THR 53 -0.478 1.938 -8.513 391 HG21 THR 53 HG21 THR 53 -0.316 -0.392 -8.262 392 HG22 THR 53 HG22 THR 53 0.609 0.476 -7.038 393 HG23 THR 53 HG23 THR 53 1.353 -0.850 -7.927 394 H TRP 54 H TRP 54 1.312 3.574 -8.126 395 HA TRP 54 HA TRP 54 2.621 4.038 -5.549 396 HB2 TRP 54 HB2 TRP 54 0.597 5.744 -7.018 397 HB3 TRP 54 HB3 TRP 54 1.480 6.201 -5.569 398 HD1 TRP 54 HD1 TRP 54 1.932 5.703 -9.326 399 HE1 TRP 54 HE1 TRP 54 4.038 6.906 -10.079 400 HE3 TRP 54 HE3 TRP 54 3.763 7.063 -4.730 401 HZ2 TRP 54 HZ2 TRP 54 6.218 8.296 -8.894 402 HZ3 TRP 54 HZ3 TRP 54 5.856 8.335 -4.646 403 HH2 TRP 54 HH2 TRP 54 7.062 8.935 -6.677 404 H GLU 55 H GLU 55 1.590 3.644 -3.686 405 HA GLU 55 HA GLU 55 -1.314 3.329 -3.711 406 HB2 GLU 55 HB2 GLU 55 0.748 1.431 -2.604 407 HB3 GLU 55 HB3 GLU 55 -0.890 1.475 -1.970 408 HG2 GLU 55 HG2 GLU 55 -0.257 1.006 -4.872 409 HG3 GLU 55 HG3 GLU 55 -0.452 -0.294 -3.710 410 HA PRO 56 HA PRO 56 -0.932 5.993 -0.186 411 HB2 PRO 56 HB2 PRO 56 -3.201 5.346 1.152 412 HB3 PRO 56 HB3 PRO 56 -3.233 6.274 -0.369 413 HG2 PRO 56 HG2 PRO 56 -3.737 3.380 0.077 414 HG3 PRO 56 HG3 PRO 56 -4.617 4.537 -0.947 415 HD2 PRO 56 HD2 PRO 56 -2.827 2.822 -1.971 416 HD3 PRO 56 HD3 PRO 56 -3.068 4.452 -2.631 417 H GLU 57 H GLU 57 -0.862 6.008 2.103 418 HA GLU 57 HA GLU 57 0.807 4.039 3.211 419 HB2 GLU 57 HB2 GLU 57 0.664 5.275 5.293 420 HB3 GLU 57 HB3 GLU 57 0.810 6.399 3.959 421 HG2 GLU 57 HG2 GLU 57 -1.740 5.742 5.433 422 HG3 GLU 57 HG3 GLU 57 -0.735 7.170 5.681 423 H GLN 58 H GLN 58 -2.587 4.441 3.169 424 HA GLN 58 HA GLN 58 -3.469 2.735 5.187 425 HB2 GLN 58 HB2 GLN 58 -4.699 3.067 2.451 426 HB3 GLN 58 HB3 GLN 58 -5.493 2.382 3.858 427 HG2 GLN 58 HG2 GLN 58 -5.272 4.563 5.000 428 HG3 GLN 58 HG3 GLN 58 -4.561 5.229 3.532 429 HE21 GLN 58 HE21 GLN 58 -7.205 2.907 3.563 430 HE22 GLN 58 HE22 GLN 58 -8.385 4.028 2.960 431 H ASN 59 H ASN 59 -1.913 1.906 2.209 432 HA ASN 59 HA ASN 59 -2.786 -0.864 2.340 433 HB2 ASN 59 HB2 ASN 59 -0.985 0.648 0.519 434 HB3 ASN 59 HB3 ASN 59 -0.961 -1.098 0.539 435 HD21 ASN 59 HD21 ASN 59 -3.975 1.019 0.730 436 HD22 ASN 59 HD22 ASN 59 -4.428 0.407 -0.808 437 H LEU 60 H LEU 60 -0.306 0.935 3.865 438 HA LEU 60 HA LEU 60 1.720 -1.132 3.497 439 HB2 LEU 60 HB2 LEU 60 1.857 1.676 4.537 440 HB3 LEU 60 HB3 LEU 60 3.158 0.548 4.831 441 HG LEU 60 HG LEU 60 3.665 2.035 2.959 442 HD11 LEU 60 HD11 LEU 60 4.650 -0.145 2.931 443 HD12 LEU 60 HD12 LEU 60 4.288 0.391 1.292 444 HD13 LEU 60 HD13 LEU 60 3.253 -0.802 2.076 445 HD21 LEU 60 HD21 LEU 60 2.465 1.875 0.830 446 HD22 LEU 60 HD22 LEU 60 1.416 2.471 2.114 447 HD23 LEU 60 HD23 LEU 60 1.288 0.798 1.578 448 H PHE 61 H PHE 61 -0.613 -1.356 5.389 449 HA PHE 61 HA PHE 61 0.099 -1.208 8.071 450 HB2 PHE 61 HB2 PHE 61 -1.753 -2.677 8.556 451 HB3 PHE 61 HB3 PHE 61 -2.203 -1.657 7.197 452 HD1 PHE 61 HD2 PHE 61 -1.938 -2.706 4.825 453 HD2 PHE 61 HD1 PHE 61 -1.999 -4.977 8.425 454 HE1 PHE 61 HE2 PHE 61 -2.508 -4.725 3.544 455 HE2 PHE 61 HE1 PHE 61 -2.568 -6.996 7.146 456 HZ PHE 61 HZ PHE 61 -2.825 -6.871 4.702 457 H GLY 62 H GLY 62 0.999 -3.707 5.802 458 HA2 GLY 62 HA2 GLY 62 2.089 -5.383 7.957 459 HA3 GLY 62 HA3 GLY 62 1.828 -5.896 6.296 460 H ALA 63 H ALA 63 3.034 -3.166 5.620 461 HA ALA 63 HA ALA 63 5.701 -4.295 5.284 462 HB1 ALA 63 HB1 ALA 63 4.338 -2.022 3.865 463 HB2 ALA 63 HB2 ALA 63 4.497 -3.677 3.275 464 HB3 ALA 63 HB3 ALA 63 5.933 -2.669 3.475 465 H GLU 64 H GLU 64 4.856 -3.118 7.741 466 HA GLU 64 HA GLU 64 5.667 -0.525 8.243 467 HB2 GLU 64 HB2 GLU 64 5.432 -2.990 9.878 468 HB3 GLU 64 HB3 GLU 64 6.196 -1.574 10.594 469 HG2 GLU 64 HG2 GLU 64 3.478 -1.536 9.318 470 HG3 GLU 64 HG3 GLU 64 3.753 -1.800 11.045 471 H LYS 65 H LYS 65 7.607 -3.420 8.097 472 HA LYS 65 HA LYS 65 10.037 -2.403 9.127 473 HB2 LYS 65 HB2 LYS 65 9.728 -4.382 6.868 474 HB3 LYS 65 HB3 LYS 65 11.183 -4.144 7.813 475 HG2 LYS 65 HG2 LYS 65 9.945 -4.978 9.815 476 HG3 LYS 65 HG3 LYS 65 8.568 -5.322 8.765 477 HD2 LYS 65 HD2 LYS 65 11.342 -6.525 8.501 478 HD3 LYS 65 HD3 LYS 65 9.920 -7.349 9.135 479 HE2 LYS 65 HE2 LYS 65 8.827 -7.202 6.979 480 HE3 LYS 65 HE3 LYS 65 10.151 -6.238 6.331 481 HZ1 LYS 65 HZ1 LYS 65 10.395 -8.424 5.568 482 HZ2 LYS 65 HZ2 LYS 65 10.214 -9.121 7.076 483 HZ3 LYS 65 HZ3 LYS 65 11.605 -8.225 6.724 484 H VAL 66 H VAL 66 8.799 -2.572 5.842 485 HA VAL 66 HA VAL 66 11.019 -1.264 4.680 486 HB VAL 66 HB VAL 66 8.337 -2.017 3.497 487 HG11 VAL 66 HG11 VAL 66 9.327 -0.134 2.305 488 HG12 VAL 66 HG12 VAL 66 9.345 -1.603 1.327 489 HG13 VAL 66 HG13 VAL 66 10.829 -1.037 2.106 490 HG21 VAL 66 HG21 VAL 66 11.077 -3.227 3.313 491 HG22 VAL 66 HG22 VAL 66 9.689 -3.720 2.361 492 HG23 VAL 66 HG23 VAL 66 9.664 -3.914 4.121 493 H LEU 67 H LEU 67 7.764 -0.241 5.514 494 HA LEU 67 HA LEU 67 7.829 2.321 4.451 495 HB2 LEU 67 HB2 LEU 67 5.812 1.295 5.388 496 HB3 LEU 67 HB3 LEU 67 6.515 1.339 6.991 497 HG LEU 67 HG LEU 67 6.449 3.789 6.966 498 HD11 LEU 67 HD11 LEU 67 5.135 3.451 4.282 499 HD12 LEU 67 HD12 LEU 67 6.719 4.168 4.595 500 HD13 LEU 67 HD13 LEU 67 5.261 4.958 5.183 501 HD21 LEU 67 HD21 LEU 67 4.540 2.558 7.860 502 HD22 LEU 67 HD22 LEU 67 3.810 2.515 6.255 503 HD23 LEU 67 HD23 LEU 67 4.025 4.055 7.084 504 H LYS 68 H LYS 68 8.850 1.146 7.601 505 HA LYS 68 HA LYS 68 9.861 3.622 8.403 506 HB2 LYS 68 HB2 LYS 68 10.025 0.891 9.560 507 HB3 LYS 68 HB3 LYS 68 11.211 2.072 10.095 508 HG2 LYS 68 HG2 LYS 68 9.333 2.047 11.625 509 HG3 LYS 68 HG3 LYS 68 9.389 3.585 10.779 510 HD2 LYS 68 HD2 LYS 68 7.616 2.688 9.229 511 HD3 LYS 68 HD3 LYS 68 7.499 1.276 10.281 512 HE2 LYS 68 HE2 LYS 68 6.962 2.778 12.179 513 HE3 LYS 68 HE3 LYS 68 7.002 4.150 11.078 514 HZ1 LYS 68 HZ1 LYS 68 5.072 1.910 11.161 515 HZ2 LYS 68 HZ2 LYS 68 5.175 2.740 9.816 516 HZ3 LYS 68 HZ3 LYS 68 4.693 3.527 11.257 517 H LYS 69 H LYS 69 11.445 0.944 6.714 518 HA LYS 69 HA LYS 69 14.139 1.782 6.847 519 HB2 LYS 69 HB2 LYS 69 12.592 0.654 4.512 520 HB3 LYS 69 HB3 LYS 69 14.297 1.026 4.458 521 HG2 LYS 69 HG2 LYS 69 14.788 -0.743 5.990 522 HG3 LYS 69 HG3 LYS 69 13.066 -1.002 6.314 523 HD2 LYS 69 HD2 LYS 69 14.035 -2.655 4.685 524 HD3 LYS 69 HD3 LYS 69 12.682 -1.759 4.024 525 HE2 LYS 69 HE2 LYS 69 14.429 -0.194 2.978 526 HE3 LYS 69 HE3 LYS 69 15.617 -1.423 3.419 527 HZ1 LYS 69 HZ1 LYS 69 14.310 -3.015 1.991 528 HZ2 LYS 69 HZ2 LYS 69 14.780 -1.659 1.103 529 HZ3 LYS 69 HZ3 LYS 69 13.282 -1.749 1.599 530 H TRP 70 H TRP 70 11.595 2.588 4.541 531 HA TRP 70 HA TRP 70 13.170 4.242 2.946 532 HB2 TRP 70 HB2 TRP 70 11.209 3.162 2.023 533 HB3 TRP 70 HB3 TRP 70 10.161 4.031 3.145 534 HD1 TRP 70 HD1 TRP 70 9.467 6.477 2.517 535 HE1 TRP 70 HE1 TRP 70 9.917 8.001 0.492 536 HE3 TRP 70 HE3 TRP 70 12.995 3.649 0.134 537 HZ2 TRP 70 HZ2 TRP 70 11.513 7.992 -1.808 538 HZ3 TRP 70 HZ3 TRP 70 13.930 4.481 -1.985 539 HH2 TRP 70 HH2 TRP 70 13.203 6.606 -2.935 540 H LYS 71 H LYS 71 10.520 5.106 5.135 541 HA LYS 71 HA LYS 71 11.151 7.766 4.680 542 HB2 LYS 71 HB2 LYS 71 8.831 6.886 5.243 543 HB3 LYS 71 HB3 LYS 71 9.320 6.993 6.930 544 HG2 LYS 71 HG2 LYS 71 9.547 9.350 6.843 545 HG3 LYS 71 HG3 LYS 71 9.629 9.285 5.072 546 HD2 LYS 71 HD2 LYS 71 7.122 8.504 6.521 547 HD3 LYS 71 HD3 LYS 71 7.464 10.187 6.099 548 HE2 LYS 71 HE2 LYS 71 7.780 9.478 3.734 549 HE3 LYS 71 HE3 LYS 71 7.312 7.848 4.199 550 HZ1 LYS 71 HZ1 LYS 71 5.546 9.250 3.189 551 HZ2 LYS 71 HZ2 LYS 71 5.493 10.179 4.590 552 HZ3 LYS 71 HZ3 LYS 71 5.108 8.543 4.620 553 H LYS 72 H LYS 72 12.510 5.667 6.978 554 HA LYS 72 HA LYS 72 13.603 7.832 8.491 555 HB2 LYS 72 HB2 LYS 72 14.580 5.016 8.196 556 HB3 LYS 72 HB3 LYS 72 15.433 6.223 9.148 557 HG2 LYS 72 HG2 LYS 72 13.233 6.524 10.412 558 HG3 LYS 72 HG3 LYS 72 12.728 5.023 9.633 559 HD2 LYS 72 HD2 LYS 72 15.172 5.416 11.314 560 HD3 LYS 72 HD3 LYS 72 13.690 4.618 11.859 561 HE2 LYS 72 HE2 LYS 72 15.495 3.721 9.617 562 HE3 LYS 72 HE3 LYS 72 15.466 2.998 11.229 563 HZ1 LYS 72 HZ1 LYS 72 13.249 3.036 9.256 564 HZ2 LYS 72 HZ2 LYS 72 13.147 2.365 10.808 565 HZ3 LYS 72 HZ3 LYS 72 14.185 1.685 9.660 566 H ARG 73 H ARG 73 14.677 6.079 5.587 567 HA ARG 73 HA ARG 73 17.149 7.575 5.496 568 HB2 ARG 73 HB2 ARG 73 15.914 5.648 3.541 569 HB3 ARG 73 HB3 ARG 73 17.467 6.427 3.292 570 HG2 ARG 73 HG2 ARG 73 16.817 4.628 5.627 571 HG3 ARG 73 HG3 ARG 73 17.613 4.095 4.152 572 HD2 ARG 73 HD2 ARG 73 19.291 4.477 5.847 573 HD3 ARG 73 HD3 ARG 73 19.446 5.718 4.610 574 HE ARG 73 HE ARG 73 17.817 6.521 6.815 575 HH11 ARG 73 HH11 ARG 73 21.167 6.239 5.741 576 HH12 ARG 73 HH12 ARG 73 21.784 7.475 6.731 577 HH21 ARG 73 HH21 ARG 73 18.629 8.262 8.212 578 HH22 ARG 73 HH22 ARG 73 20.279 8.663 8.196 579 H LYS 74 H LYS 74 13.993 7.932 4.106 580 HA LYS 74 HA LYS 74 14.930 10.106 2.392 581 HB2 LYS 74 HB2 LYS 74 13.319 8.464 1.421 582 HB3 LYS 74 HB3 LYS 74 12.172 8.846 2.686 583 HG2 LYS 74 HG2 LYS 74 13.126 10.905 0.677 584 HG3 LYS 74 HG3 LYS 74 11.731 9.869 0.392 585 HD2 LYS 74 HD2 LYS 74 10.598 10.803 2.320 586 HD3 LYS 74 HD3 LYS 74 12.024 11.723 2.761 587 HE2 LYS 74 HE2 LYS 74 10.459 13.219 1.719 588 HE3 LYS 74 HE3 LYS 74 11.822 12.984 0.630 589 HZ1 LYS 74 HZ1 LYS 74 10.448 11.311 -0.537 590 HZ2 LYS 74 HZ2 LYS 74 9.753 12.853 -0.607 591 HZ3 LYS 74 HZ3 LYS 74 9.159 11.675 0.428 592 H LYS 75 H LYS 75 14.904 12.103 3.130 593 HA LYS 75 HA LYS 75 13.212 12.663 5.421 594 HB2 LYS 75 HB2 LYS 75 15.676 14.096 4.387 595 HB3 LYS 75 HB3 LYS 75 14.698 14.656 5.731 596 HG2 LYS 75 HG2 LYS 75 15.967 11.937 5.798 597 HG3 LYS 75 HG3 LYS 75 16.904 13.366 6.197 598 HD2 LYS 75 HD2 LYS 75 16.062 12.309 8.231 599 HD3 LYS 75 HD3 LYS 75 15.320 13.884 8.023 600 HE2 LYS 75 HE2 LYS 75 13.771 12.144 8.845 601 HE3 LYS 75 HE3 LYS 75 13.226 12.844 7.333 602 HZ1 LYS 75 HZ1 LYS 75 13.032 10.371 7.439 603 HZ2 LYS 75 HZ2 LYS 75 14.722 10.236 7.458 604 HZ3 LYS 75 HZ3 LYS 75 13.909 10.943 6.174 605 H1 ALA 1 H1 ALA 1 11.640 -20.719 10.160 606 H2 ALA 1 H2 ALA 1 12.132 -19.200 10.769 607 H3 ALA 1 H3 ALA 1 12.882 -19.822 9.411 608 HA ALA 1 HA ALA 1 10.876 -19.576 8.147 609 HB1 ALA 1 HB1 ALA 1 9.283 -19.932 9.987 610 HB2 ALA 1 HB2 ALA 1 8.962 -18.406 9.162 611 HB3 ALA 1 HB3 ALA 1 9.789 -18.410 10.720 612 H ARG 2 H ARG 2 10.277 -17.358 7.264 613 HA ARG 2 HA ARG 2 12.075 -15.264 8.227 614 HB2 ARG 2 HB2 ARG 2 11.465 -16.007 5.345 615 HB3 ARG 2 HB3 ARG 2 12.297 -14.544 5.832 616 HG2 ARG 2 HG2 ARG 2 13.306 -17.351 6.289 617 HG3 ARG 2 HG3 ARG 2 13.817 -16.289 4.980 618 HD2 ARG 2 HD2 ARG 2 14.639 -14.668 6.661 619 HD3 ARG 2 HD3 ARG 2 14.182 -15.792 7.940 620 HE ARG 2 HE ARG 2 15.879 -17.003 6.020 621 HH11 ARG 2 HH11 ARG 2 15.960 -14.849 8.837 622 HH12 ARG 2 HH12 ARG 2 17.558 -15.200 9.277 623 HH21 ARG 2 HH21 ARG 2 18.131 -17.511 6.616 624 HH22 ARG 2 HH22 ARG 2 18.829 -16.768 7.969 625 H THR 3 H THR 3 10.917 -13.416 8.679 626 HA THR 3 HA THR 3 8.152 -13.401 7.962 627 HB THR 3 HB THR 3 8.327 -11.229 9.391 628 HG1 THR 3 HG1 THR 3 10.204 -11.570 10.893 629 HG21 THR 3 HG21 THR 3 7.288 -13.318 10.183 630 HG22 THR 3 HG22 THR 3 8.221 -12.556 11.471 631 HG23 THR 3 HG23 THR 3 8.879 -13.948 10.609 632 H LYS 4 H LYS 4 7.889 -12.836 5.882 633 HA LYS 4 HA LYS 4 9.494 -10.719 4.734 634 HB2 LYS 4 HB2 LYS 4 8.931 -12.876 3.509 635 HB3 LYS 4 HB3 LYS 4 7.277 -12.302 3.413 636 HG2 LYS 4 HG2 LYS 4 7.988 -10.400 2.066 637 HG3 LYS 4 HG3 LYS 4 9.673 -10.906 2.214 638 HD2 LYS 4 HD2 LYS 4 9.072 -13.046 1.084 639 HD3 LYS 4 HD3 LYS 4 7.437 -12.418 0.869 640 HE2 LYS 4 HE2 LYS 4 8.302 -10.581 -0.483 641 HE3 LYS 4 HE3 LYS 4 9.946 -11.185 -0.264 642 HZ1 LYS 4 HZ1 LYS 4 8.883 -11.885 -2.421 643 HZ2 LYS 4 HZ2 LYS 4 7.733 -12.697 -1.525 644 HZ3 LYS 4 HZ3 LYS 4 9.315 -13.221 -1.458 645 H GLN 5 H GLN 5 8.468 -8.931 3.636 646 HA GLN 5 HA GLN 5 6.266 -7.850 5.204 647 HB2 GLN 5 HB2 GLN 5 6.954 -5.684 4.227 648 HB3 GLN 5 HB3 GLN 5 8.281 -6.463 5.073 649 HG2 GLN 5 HG2 GLN 5 7.990 -6.871 2.134 650 HG3 GLN 5 HG3 GLN 5 8.615 -5.343 2.726 651 HE21 GLN 5 HE21 GLN 5 10.530 -5.884 1.559 652 HE22 GLN 5 HE22 GLN 5 11.700 -6.963 2.198 653 H THR 6 H THR 6 4.280 -7.393 4.258 654 HA THR 6 HA THR 6 4.147 -7.316 1.379 655 HB THR 6 HB THR 6 2.227 -8.750 1.263 656 HG1 THR 6 HG1 THR 6 1.654 -9.893 3.385 657 HG21 THR 6 HG21 THR 6 4.369 -9.982 1.305 658 HG22 THR 6 HG22 THR 6 3.050 -10.949 1.960 659 HG23 THR 6 HG23 THR 6 4.206 -10.183 3.047 660 H ALA 7 H ALA 7 1.981 -6.303 0.750 661 HA ALA 7 HA ALA 7 0.670 -4.806 2.821 662 HB1 ALA 7 HB1 ALA 7 2.501 -3.287 2.258 663 HB2 ALA 7 HB2 ALA 7 0.986 -2.633 1.638 664 HB3 ALA 7 HB3 ALA 7 2.128 -3.415 0.546 665 H ARG 8 H ARG 8 -1.116 -3.443 1.531 666 HA ARG 8 HA ARG 8 -2.713 -5.485 0.479 667 HB2 ARG 8 HB2 ARG 8 -3.135 -2.545 0.313 668 HB3 ARG 8 HB3 ARG 8 -4.282 -3.721 -0.281 669 HG2 ARG 8 HG2 ARG 8 -4.161 -4.654 2.170 670 HG3 ARG 8 HG3 ARG 8 -3.485 -3.017 2.437 671 HD2 ARG 8 HD2 ARG 8 -5.992 -3.242 2.725 672 HD3 ARG 8 HD3 ARG 8 -5.390 -1.933 1.710 673 HE ARG 8 HE ARG 8 -6.612 -4.457 0.750 674 HH11 ARG 8 HH11 ARG 8 -5.608 -1.138 0.189 675 HH12 ARG 8 HH12 ARG 8 -6.199 -0.988 -1.379 676 HH21 ARG 8 HH21 ARG 8 -7.582 -4.312 -1.399 677 HH22 ARG 8 HH22 ARG 8 -7.452 -2.886 -2.312 678 H M3L 9 H M3L 9 -1.719 -2.616 -1.401 679 HA M3L 9 HA M3L 9 -1.669 -2.122 -3.558 680 HB2 M3L 9 1HB M3L 9 -0.384 -4.091 -4.174 681 HB3 M3L 9 2HB M3L 9 -1.847 -5.070 -4.154 682 HG2 M3L 9 1HG M3L 9 -1.600 -2.685 -5.950 683 HG3 M3L 9 2HG M3L 9 -2.708 -4.052 -6.074 684 HD2 M3L 9 1HD M3L 9 -0.352 -3.718 -7.433 685 HD3 M3L 9 2HD M3L 9 0.098 -4.829 -6.157 686 HE2 M3L 9 1HE M3L 9 -2.249 -5.135 -8.047 687 HE3 M3L 9 2HE M3L 9 -1.872 -6.241 -6.767 688 HM11 M3L 9 1HM1 M3L 9 -0.460 -8.110 -9.801 689 HM12 M3L 9 2HM1 M3L 9 -1.559 -8.198 -8.427 690 HM13 M3L 9 3HM1 M3L 9 -1.943 -7.169 -9.757 691 HM21 M3L 9 1HM2 M3L 9 1.114 -7.770 -8.039 692 HM22 M3L 9 2HM2 M3L 9 0.493 -7.005 -6.579 693 HM23 M3L 9 3HM2 M3L 9 1.578 -6.161 -7.633 694 HM31 M3L 9 3HM3 M3L 9 1.210 -5.346 -9.441 695 HM32 M3L 9 1HM3 M3L 9 -0.168 -5.548 -10.488 696 HM33 M3L 9 2HM3 M3L 9 -0.156 -4.311 -9.266 697 H SER 10 H SER 10 -3.446 -1.017 -4.071 698 HA SER 10 HA SER 10 -5.927 -2.245 -3.369 699 HB2 SER 10 HB2 SER 10 -5.321 0.640 -4.254 700 HB3 SER 10 HB3 SER 10 -6.825 0.052 -3.490 701 HG SER 10 HG SER 10 -4.326 0.529 -2.650 702 H THR 11 H THR 11 -6.042 -3.787 -4.903 703 HA THR 11 HA THR 11 -6.094 -3.136 -7.695 704 HB THR 11 HB THR 11 -6.837 -5.740 -6.302 705 HG1 THR 11 HG1 THR 11 -4.760 -5.535 -5.757 706 HG21 THR 11 HG21 THR 11 -5.899 -5.166 -9.129 707 HG22 THR 11 HG22 THR 11 -7.549 -5.577 -8.665 708 HG23 THR 11 HG23 THR 11 -6.257 -6.761 -8.470 709 H GLY 12 H GLY 12 -7.770 -1.797 -8.031 710 HA2 GLY 12 HA2 GLY 12 -10.020 -1.482 -8.650 711 HA3 GLY 12 HA3 GLY 12 -10.464 -2.868 -7.647 712 H GLY 13 H GLY 13 -9.548 -2.471 -5.318 713 HA2 GLY 13 HA2 GLY 13 -9.120 -0.787 -3.610 714 HA3 GLY 13 HA3 GLY 13 -10.203 0.281 -4.496 715 H LYS 14 H LYS 14 -10.965 0.329 -2.154 716 HA LYS 14 HA LYS 14 -13.179 -1.566 -1.962 717 HB2 LYS 14 HB2 LYS 14 -11.713 -0.323 0.394 718 HB3 LYS 14 HB3 LYS 14 -13.041 -1.463 0.477 719 HG2 LYS 14 HG2 LYS 14 -11.571 -3.196 -0.512 720 HG3 LYS 14 HG3 LYS 14 -10.241 -2.034 -0.491 721 HD2 LYS 14 HD2 LYS 14 -10.593 -1.800 1.981 722 HD3 LYS 14 HD3 LYS 14 -11.753 -3.121 1.882 723 HE2 LYS 14 HE2 LYS 14 -8.826 -3.261 1.151 724 HE3 LYS 14 HE3 LYS 14 -9.554 -3.898 2.618 725 HZ1 LYS 14 HZ1 LYS 14 -10.151 -4.848 -0.145 726 HZ2 LYS 14 HZ2 LYS 14 -10.720 -5.565 1.295 727 HZ3 LYS 14 HZ3 LYS 14 -9.079 -5.520 0.918 728 H ALA 15 H ALA 15 -14.683 -0.228 -2.790 729 HA ALA 15 HA ALA 15 -14.655 2.579 -2.061 730 HB1 ALA 15 HB1 ALA 15 -14.936 1.988 -4.418 731 HB2 ALA 15 HB2 ALA 15 -16.356 2.835 -3.799 732 HB3 ALA 15 HB3 ALA 15 -16.399 1.086 -4.021 733 HA PRO 16 HA PRO 16 -17.869 1.392 0.845 734 HB2 PRO 16 HB2 PRO 16 -17.438 3.696 2.422 735 HB3 PRO 16 HB3 PRO 16 -16.757 2.087 2.726 736 HG2 PRO 16 HG2 PRO 16 -15.319 4.383 2.010 737 HG3 PRO 16 HG3 PRO 16 -14.714 2.720 2.077 738 HD2 PRO 16 HD2 PRO 16 -15.522 4.319 -0.275 739 HD3 PRO 16 HD3 PRO 16 -14.378 2.966 -0.138 740 H ARG 17 H ARG 17 -19.409 1.827 -0.789 741 HA ARG 17 HA ARG 17 -20.489 4.474 -0.506 742 HB2 ARG 17 HB2 ARG 17 -20.216 2.928 -3.011 743 HB3 ARG 17 HB3 ARG 17 -21.622 3.965 -2.834 744 HG2 ARG 17 HG2 ARG 17 -18.764 4.903 -2.517 745 HG3 ARG 17 HG3 ARG 17 -19.701 5.052 -4.001 746 HD2 ARG 17 HD2 ARG 17 -19.795 7.177 -2.848 747 HD3 ARG 17 HD3 ARG 17 -21.381 6.428 -2.727 748 HE ARG 17 HE ARG 17 -19.388 6.468 -0.551 749 HH11 ARG 17 HH11 ARG 17 -22.836 6.699 -1.566 750 HH12 ARG 17 HH12 ARG 17 -23.416 6.662 0.029 751 HH21 ARG 17 HH21 ARG 17 -20.293 6.543 1.660 752 HH22 ARG 17 HH22 ARG 17 -21.989 6.566 1.843 753 H TYR 18 H TYR 18 -21.780 4.347 0.979 754 HA TYR 18 HA TYR 18 -24.336 3.361 0.372 755 HB2 TYR 18 HB2 TYR 18 -24.583 2.537 2.789 756 HB3 TYR 18 HB3 TYR 18 -23.582 1.512 1.781 757 HD1 TYR 18 HD2 TYR 18 -21.053 1.645 2.069 758 HD2 TYR 18 HD1 TYR 18 -23.757 3.466 4.806 759 HE1 TYR 18 HE2 TYR 18 -19.273 1.736 3.758 760 HE2 TYR 18 HE1 TYR 18 -21.977 3.568 6.499 761 HH TYR 18 HH TYR 18 -18.715 3.052 5.780 Start of MODEL 19 1 H1 MET 1 H1 MET 1 5.016 -43.686 23.998 2 H2 MET 1 H2 MET 1 4.303 -42.201 23.524 3 H3 MET 1 H3 MET 1 3.359 -43.349 24.268 4 HA MET 1 HA MET 1 4.517 -43.035 26.315 5 HB2 MET 1 HB2 MET 1 6.007 -40.918 24.716 6 HB3 MET 1 HB3 MET 1 6.068 -41.068 26.463 7 HG2 MET 1 HG2 MET 1 7.129 -43.253 26.249 8 HG3 MET 1 HG3 MET 1 7.032 -43.134 24.494 9 HE1 MET 1 HE1 MET 1 9.663 -43.629 24.332 10 HE2 MET 1 HE2 MET 1 9.753 -43.739 26.092 11 HE3 MET 1 HE3 MET 1 10.876 -42.701 25.215 12 H VAL 2 H VAL 2 4.014 -40.945 27.649 13 HA VAL 2 HA VAL 2 1.497 -39.998 26.719 14 HB VAL 2 HB VAL 2 1.879 -40.416 29.130 15 HG11 VAL 2 HG11 VAL 2 4.212 -39.846 29.336 16 HG12 VAL 2 HG12 VAL 2 3.265 -38.921 30.501 17 HG13 VAL 2 HG13 VAL 2 3.855 -38.147 29.031 18 HG21 VAL 2 HG21 VAL 2 1.339 -37.508 28.527 19 HG22 VAL 2 HG22 VAL 2 0.952 -38.318 30.044 20 HG23 VAL 2 HG23 VAL 2 0.155 -38.815 28.551 21 H SER 3 H SER 3 1.048 -38.074 25.748 22 HA SER 3 HA SER 3 3.043 -36.005 25.590 23 HB2 SER 3 HB2 SER 3 2.011 -37.372 23.079 24 HB3 SER 3 HB3 SER 3 3.148 -36.029 23.156 25 HG SER 3 HG SER 3 4.250 -37.783 24.623 26 H VAL 4 H VAL 4 2.057 -34.037 25.014 27 HA VAL 4 HA VAL 4 -0.856 -34.060 25.149 28 HB VAL 4 HB VAL 4 1.084 -31.712 25.310 29 HG11 VAL 4 HG11 VAL 4 -1.141 -31.034 24.599 30 HG12 VAL 4 HG12 VAL 4 -0.813 -30.453 26.233 31 HG13 VAL 4 HG13 VAL 4 -1.854 -31.855 25.987 32 HG21 VAL 4 HG21 VAL 4 1.429 -33.212 27.195 33 HG22 VAL 4 HG22 VAL 4 -0.296 -33.195 27.551 34 HG23 VAL 4 HG23 VAL 4 0.656 -31.722 27.736 35 H LYS 5 H LYS 5 -2.073 -33.129 23.478 36 HA LYS 5 HA LYS 5 -0.581 -32.841 20.971 37 HB2 LYS 5 HB2 LYS 5 -3.473 -33.674 21.360 38 HB3 LYS 5 HB3 LYS 5 -2.583 -33.672 19.845 39 HG2 LYS 5 HG2 LYS 5 -2.018 -35.444 22.226 40 HG3 LYS 5 HG3 LYS 5 -2.819 -35.937 20.736 41 HD2 LYS 5 HD2 LYS 5 -0.795 -35.556 19.467 42 HD3 LYS 5 HD3 LYS 5 0.002 -34.862 20.878 43 HE2 LYS 5 HE2 LYS 5 0.737 -37.162 20.494 44 HE3 LYS 5 HE3 LYS 5 -0.123 -37.013 22.024 45 HZ1 LYS 5 HZ1 LYS 5 -1.256 -38.066 19.490 46 HZ2 LYS 5 HZ2 LYS 5 -2.094 -37.911 20.954 47 HZ3 LYS 5 HZ3 LYS 5 -0.795 -38.987 20.834 48 HA PRO 6 HA PRO 6 -2.286 -28.739 20.824 49 HB2 PRO 6 HB2 PRO 6 -2.304 -28.212 18.187 50 HB3 PRO 6 HB3 PRO 6 -0.774 -28.403 19.072 51 HG2 PRO 6 HG2 PRO 6 -2.164 -30.346 17.312 52 HG3 PRO 6 HG3 PRO 6 -0.430 -29.992 17.459 53 HD2 PRO 6 HD2 PRO 6 -1.642 -32.137 18.648 54 HD3 PRO 6 HD3 PRO 6 -0.156 -31.374 19.241 55 H LEU 7 H LEU 7 -4.094 -27.451 19.943 56 HA LEU 7 HA LEU 7 -6.419 -29.122 19.449 57 HB2 LEU 7 HB2 LEU 7 -6.154 -26.383 20.737 58 HB3 LEU 7 HB3 LEU 7 -7.686 -27.090 20.293 59 HG LEU 7 HG LEU 7 -7.173 -28.960 21.932 60 HD11 LEU 7 HD11 LEU 7 -5.009 -27.082 22.859 61 HD12 LEU 7 HD12 LEU 7 -4.774 -28.676 22.147 62 HD13 LEU 7 HD13 LEU 7 -5.569 -28.521 23.712 63 HD21 LEU 7 HD21 LEU 7 -7.831 -27.634 23.882 64 HD22 LEU 7 HD22 LEU 7 -8.748 -27.198 22.441 65 HD23 LEU 7 HD23 LEU 7 -7.437 -26.158 23.000 66 HA PRO 8 HA PRO 8 -6.690 -26.724 15.689 67 HB2 PRO 8 HB2 PRO 8 -9.588 -26.595 15.680 68 HB3 PRO 8 HB3 PRO 8 -8.551 -27.631 14.681 69 HG2 PRO 8 HG2 PRO 8 -10.202 -28.595 16.619 70 HG3 PRO 8 HG3 PRO 8 -8.727 -29.410 16.064 71 HD2 PRO 8 HD2 PRO 8 -9.153 -27.785 18.530 72 HD3 PRO 8 HD3 PRO 8 -8.180 -29.251 18.288 73 H ASP 9 H ASP 9 -5.855 -24.967 16.983 74 HA ASP 9 HA ASP 9 -7.652 -22.954 18.006 75 HB2 ASP 9 HB2 ASP 9 -4.653 -22.829 17.525 76 HB3 ASP 9 HB3 ASP 9 -5.591 -21.680 18.468 77 H ILE 10 H ILE 10 -6.251 -23.790 15.106 78 HA ILE 10 HA ILE 10 -6.708 -21.156 13.891 79 HB ILE 10 HB ILE 10 -5.201 -23.549 12.747 80 HG12 ILE 10 HG12 ILE 10 -4.106 -20.980 13.935 81 HG13 ILE 10 HG13 ILE 10 -4.049 -22.562 14.699 82 HG21 ILE 10 HG21 ILE 10 -6.149 -22.112 11.008 83 HG22 ILE 10 HG22 ILE 10 -4.392 -21.960 11.046 84 HG23 ILE 10 HG23 ILE 10 -5.401 -20.698 11.751 85 HD11 ILE 10 HD11 ILE 10 -2.669 -21.776 12.139 86 HD12 ILE 10 HD12 ILE 10 -2.609 -23.370 12.891 87 HD13 ILE 10 HD13 ILE 10 -1.906 -21.978 13.718 88 H ASP 11 H ASP 11 -8.176 -21.008 12.177 89 HA ASP 11 HA ASP 11 -10.325 -22.850 12.191 90 HB2 ASP 11 HB2 ASP 11 -10.568 -20.396 11.737 91 HB3 ASP 11 HB3 ASP 11 -9.770 -20.638 10.188 92 H SER 12 H SER 12 -11.164 -23.925 10.260 93 HA SER 12 HA SER 12 -9.039 -25.499 9.088 94 HB2 SER 12 HB2 SER 12 -11.000 -26.938 8.370 95 HB3 SER 12 HB3 SER 12 -10.722 -26.776 10.105 96 HG SER 12 HG SER 12 -12.413 -24.875 8.995 97 H ASN 13 H ASN 13 -10.974 -22.857 8.050 98 HA ASN 13 HA ASN 13 -11.062 -23.722 5.296 99 HB2 ASN 13 HB2 ASN 13 -12.933 -22.402 6.162 100 HB3 ASN 13 HB3 ASN 13 -11.836 -21.090 6.576 101 HD21 ASN 13 HD21 ASN 13 -11.026 -19.802 4.944 102 HD22 ASN 13 HD22 ASN 13 -11.695 -19.785 3.338 103 H GLU 14 H GLU 14 -9.170 -23.783 4.295 104 HA GLU 14 HA GLU 14 -7.266 -21.652 4.734 105 HB2 GLU 14 HB2 GLU 14 -5.734 -23.017 3.369 106 HB3 GLU 14 HB3 GLU 14 -6.371 -23.912 4.737 107 HG2 GLU 14 HG2 GLU 14 -7.920 -25.085 3.282 108 HG3 GLU 14 HG3 GLU 14 -7.370 -24.131 1.904 109 H GLY 15 H GLY 15 -6.461 -20.363 3.053 110 HA2 GLY 15 HA2 GLY 15 -7.306 -20.498 0.402 111 HA3 GLY 15 HA3 GLY 15 -8.301 -19.334 1.286 112 H GLU 16 H GLU 16 -6.643 -18.423 -0.722 113 HA GLU 16 HA GLU 16 -4.460 -17.246 0.801 114 HB2 GLU 16 HB2 GLU 16 -3.762 -18.569 -1.196 115 HB3 GLU 16 HB3 GLU 16 -4.739 -17.521 -2.211 116 HG2 GLU 16 HG2 GLU 16 -2.299 -17.020 -2.232 117 HG3 GLU 16 HG3 GLU 16 -3.324 -15.658 -1.787 118 H THR 17 H THR 17 -4.165 -15.033 0.662 119 HA THR 17 HA THR 17 -6.697 -13.610 0.113 120 HB THR 17 HB THR 17 -4.589 -12.753 2.115 121 HG1 THR 17 HG1 THR 17 -5.580 -14.954 2.341 122 HG21 THR 17 HG21 THR 17 -6.336 -11.095 1.474 123 HG22 THR 17 HG22 THR 17 -6.489 -11.590 3.160 124 HG23 THR 17 HG23 THR 17 -7.581 -12.253 1.945 125 H ASP 18 H ASP 18 -3.935 -14.111 -1.346 126 HA ASP 18 HA ASP 18 -2.452 -11.800 -1.669 127 HB2 ASP 18 HB2 ASP 18 -1.462 -12.751 -3.574 128 HB3 ASP 18 HB3 ASP 18 -1.991 -14.154 -2.656 129 H ALA 19 H ALA 19 -5.425 -12.677 -3.195 130 HA ALA 19 HA ALA 19 -5.563 -10.949 -5.331 131 HB1 ALA 19 HB1 ALA 19 -7.193 -12.722 -4.883 132 HB2 ALA 19 HB2 ALA 19 -7.969 -11.183 -5.254 133 HB3 ALA 19 HB3 ALA 19 -7.882 -11.747 -3.585 134 H ASP 20 H ASP 20 -5.936 -10.128 -1.964 135 HA ASP 20 HA ASP 20 -6.342 -7.334 -2.781 136 HB2 ASP 20 HB2 ASP 20 -8.508 -8.274 -2.070 137 HB3 ASP 20 HB3 ASP 20 -7.801 -8.825 -0.570 138 H VAL 21 H VAL 21 -4.136 -9.311 -1.678 139 HA VAL 21 HA VAL 21 -2.768 -7.258 -0.125 140 HB VAL 21 HB VAL 21 -2.787 -10.102 0.888 141 HG11 VAL 21 HG11 VAL 21 -1.703 -9.181 2.899 142 HG12 VAL 21 HG12 VAL 21 -1.628 -7.606 2.098 143 HG13 VAL 21 HG13 VAL 21 -0.772 -8.988 1.418 144 HG21 VAL 21 HG21 VAL 21 -4.317 -7.793 2.096 145 HG22 VAL 21 HG22 VAL 21 -4.086 -9.377 2.853 146 HG23 VAL 21 HG23 VAL 21 -4.985 -9.247 1.343 147 H TYR 22 H TYR 22 -0.932 -7.051 -1.330 148 HA TYR 22 HA TYR 22 0.340 -9.542 -2.215 149 HB2 TYR 22 HB2 TYR 22 0.233 -6.922 -3.662 150 HB3 TYR 22 HB3 TYR 22 1.541 -8.060 -3.977 151 HD1 TYR 22 HD2 TYR 22 1.027 -10.304 -4.837 152 HD2 TYR 22 HD1 TYR 22 -1.963 -7.309 -4.541 153 HE1 TYR 22 HE2 TYR 22 -0.398 -11.603 -6.353 154 HE2 TYR 22 HE1 TYR 22 -3.406 -8.596 -6.069 155 HH TYR 22 HH TYR 22 -2.861 -11.795 -6.741 156 H GLU 23 H GLU 23 2.731 -9.514 -2.491 157 HA GLU 23 HA GLU 23 3.810 -8.597 -0.067 158 HB2 GLU 23 HB2 GLU 23 4.864 -10.220 -2.271 159 HB3 GLU 23 HB3 GLU 23 5.997 -9.509 -1.105 160 HG2 GLU 23 HG2 GLU 23 4.853 -10.523 0.659 161 HG3 GLU 23 HG3 GLU 23 3.619 -11.207 -0.402 162 H VAL 24 H VAL 24 5.299 -7.363 0.346 163 HA VAL 24 HA VAL 24 5.874 -5.234 -1.610 164 HB VAL 24 HB VAL 24 6.151 -5.033 1.392 165 HG11 VAL 24 HG11 VAL 24 6.417 -3.011 -0.796 166 HG12 VAL 24 HG12 VAL 24 7.714 -3.616 0.259 167 HG13 VAL 24 HG13 VAL 24 6.371 -2.654 0.932 168 HG21 VAL 24 HG21 VAL 24 4.333 -3.522 1.277 169 HG22 VAL 24 HG22 VAL 24 3.861 -5.135 0.742 170 HG23 VAL 24 HG23 VAL 24 4.120 -3.837 -0.449 171 H GLU 25 H GLU 25 7.671 -5.471 -2.577 172 HA GLU 25 HA GLU 25 9.892 -6.961 -1.612 173 HB2 GLU 25 HB2 GLU 25 8.994 -6.440 -4.010 174 HB3 GLU 25 HB3 GLU 25 9.857 -4.936 -3.838 175 HG2 GLU 25 HG2 GLU 25 11.948 -6.056 -3.797 176 HG3 GLU 25 HG3 GLU 25 11.161 -7.635 -3.658 177 H ASP 26 H ASP 26 9.425 -3.443 -2.385 178 HA ASP 26 HA ASP 26 10.155 -2.398 0.060 179 HB2 ASP 26 HB2 ASP 26 12.529 -3.262 -0.814 180 HB3 ASP 26 HB3 ASP 26 12.453 -1.842 -1.851 181 H ILE 27 H ILE 27 10.985 0.105 -0.505 182 HA ILE 27 HA ILE 27 8.745 1.013 -2.190 183 HB ILE 27 HB ILE 27 10.323 2.775 -0.263 184 HG12 ILE 27 HG12 ILE 27 9.423 0.884 1.071 185 HG13 ILE 27 HG13 ILE 27 8.610 2.394 1.448 186 HG21 ILE 27 HG21 ILE 27 8.324 4.132 -0.281 187 HG22 ILE 27 HG22 ILE 27 7.578 3.005 -1.418 188 HG23 ILE 27 HG23 ILE 27 9.001 3.920 -1.898 189 HD11 ILE 27 HD11 ILE 27 7.053 0.535 1.362 190 HD12 ILE 27 HD12 ILE 27 7.534 0.190 -0.300 191 HD13 ILE 27 HD13 ILE 27 6.707 1.700 0.086 192 H LEU 28 H LEU 28 9.169 2.465 -3.840 193 HA LEU 28 HA LEU 28 11.999 2.689 -4.564 194 HB2 LEU 28 HB2 LEU 28 9.541 2.815 -6.269 195 HB3 LEU 28 HB3 LEU 28 11.177 3.016 -6.882 196 HG LEU 28 HG LEU 28 10.002 0.516 -5.650 197 HD11 LEU 28 HD11 LEU 28 9.147 0.966 -7.870 198 HD12 LEU 28 HD12 LEU 28 10.239 -0.419 -7.895 199 HD13 LEU 28 HD13 LEU 28 10.788 1.150 -8.484 200 HD21 LEU 28 HD21 LEU 28 12.102 -0.570 -6.327 201 HD22 LEU 28 HD22 LEU 28 12.377 0.682 -5.122 202 HD23 LEU 28 HD23 LEU 28 12.749 0.996 -6.818 203 H ALA 29 H ALA 29 9.168 4.611 -3.875 204 HA ALA 29 HA ALA 29 10.624 7.013 -3.616 205 HB1 ALA 29 HB1 ALA 29 9.601 8.313 -5.451 206 HB2 ALA 29 HB2 ALA 29 8.830 6.849 -6.061 207 HB3 ALA 29 HB3 ALA 29 10.586 6.995 -6.089 208 H ASP 30 H ASP 30 8.829 8.926 -3.510 209 HA ASP 30 HA ASP 30 6.355 7.870 -2.394 210 HB2 ASP 30 HB2 ASP 30 6.525 9.227 -0.430 211 HB3 ASP 30 HB3 ASP 30 8.036 8.336 -0.562 212 H ARG 31 H ARG 31 4.868 9.833 -1.903 213 HA ARG 31 HA ARG 31 5.238 12.185 -3.528 214 HB2 ARG 31 HB2 ARG 31 4.408 10.183 -5.013 215 HB3 ARG 31 HB3 ARG 31 2.895 10.395 -4.155 216 HG2 ARG 31 HG2 ARG 31 2.914 12.788 -4.947 217 HG3 ARG 31 HG3 ARG 31 4.268 12.340 -5.989 218 HD2 ARG 31 HD2 ARG 31 2.386 12.094 -7.369 219 HD3 ARG 31 HD3 ARG 31 2.739 10.451 -6.831 220 HE ARG 31 HE ARG 31 0.599 12.171 -5.782 221 HH11 ARG 31 HH11 ARG 31 1.830 8.813 -6.219 222 HH12 ARG 31 HH12 ARG 31 0.348 8.201 -5.577 223 HH21 ARG 31 HH21 ARG 31 -1.343 11.096 -5.012 224 HH22 ARG 31 HH22 ARG 31 -1.325 9.407 -4.949 225 H VAL 32 H VAL 32 3.371 13.657 -3.037 226 HA VAL 32 HA VAL 32 1.683 12.740 -0.828 227 HB VAL 32 HB VAL 32 3.035 15.472 -0.918 228 HG11 VAL 32 HG11 VAL 32 2.163 15.767 1.356 229 HG12 VAL 32 HG12 VAL 32 1.343 14.211 1.235 230 HG13 VAL 32 HG13 VAL 32 0.870 15.538 0.176 231 HG21 VAL 32 HG21 VAL 32 3.661 13.135 0.896 232 HG22 VAL 32 HG22 VAL 32 4.353 14.751 1.031 233 HG23 VAL 32 HG23 VAL 32 4.697 13.761 -0.388 234 H ASN 33 H ASN 33 -0.364 13.427 -0.965 235 HA ASN 33 HA ASN 33 -1.216 14.726 -3.434 236 HB2 ASN 33 HB2 ASN 33 -2.790 13.554 -1.126 237 HB3 ASN 33 HB3 ASN 33 -3.499 14.206 -2.599 238 HD21 ASN 33 HD21 ASN 33 -3.472 11.520 -1.379 239 HD22 ASN 33 HD22 ASN 33 -2.857 10.429 -2.539 240 H LYS 34 H LYS 34 -3.146 16.277 -3.080 241 HA LYS 34 HA LYS 34 -2.345 18.241 -1.097 242 HB2 LYS 34 HB2 LYS 34 -4.341 18.435 -3.371 243 HB3 LYS 34 HB3 LYS 34 -3.904 19.763 -2.298 244 HG2 LYS 34 HG2 LYS 34 -1.976 18.307 -4.112 245 HG3 LYS 34 HG3 LYS 34 -2.715 19.870 -4.464 246 HD2 LYS 34 HD2 LYS 34 -1.575 20.910 -2.633 247 HD3 LYS 34 HD3 LYS 34 -1.035 19.361 -1.995 248 HE2 LYS 34 HE2 LYS 34 -0.192 20.508 -4.653 249 HE3 LYS 34 HE3 LYS 34 0.744 20.630 -3.165 250 HZ1 LYS 34 HZ1 LYS 34 1.526 18.799 -4.520 251 HZ2 LYS 34 HZ2 LYS 34 -0.008 18.097 -4.543 252 HZ3 LYS 34 HZ3 LYS 34 0.849 18.196 -3.093 253 H ASN 35 H ASN 35 -4.556 15.803 -1.632 254 HA ASN 35 HA ASN 35 -6.700 16.625 0.028 255 HB2 ASN 35 HB2 ASN 35 -5.849 13.792 -0.634 256 HB3 ASN 35 HB3 ASN 35 -7.413 14.280 -0.009 257 HD21 ASN 35 HD21 ASN 35 -6.845 12.791 -2.417 258 HD22 ASN 35 HD22 ASN 35 -7.468 13.752 -3.711 259 H GLY 36 H GLY 36 -3.553 15.434 0.697 260 HA2 GLY 36 HA2 GLY 36 -2.687 15.742 2.918 261 HA3 GLY 36 HA3 GLY 36 -4.266 15.296 3.544 262 H ILE 37 H ILE 37 -3.083 13.365 0.951 263 HA ILE 37 HA ILE 37 -2.401 11.286 2.907 264 HB ILE 37 HB ILE 37 -3.493 10.938 0.089 265 HG12 ILE 37 HG12 ILE 37 -5.349 9.659 1.428 266 HG13 ILE 37 HG13 ILE 37 -4.725 10.646 2.747 267 HG21 ILE 37 HG21 ILE 37 -3.611 8.582 0.532 268 HG22 ILE 37 HG22 ILE 37 -2.799 8.838 2.087 269 HG23 ILE 37 HG23 ILE 37 -1.953 9.199 0.572 270 HD11 ILE 37 HD11 ILE 37 -5.282 12.658 1.556 271 HD12 ILE 37 HD12 ILE 37 -6.708 11.623 1.715 272 HD13 ILE 37 HD13 ILE 37 -5.833 11.702 0.180 273 H ASN 38 H ASN 38 -0.402 10.452 2.774 274 HA ASN 38 HA ASN 38 1.216 11.180 0.472 275 HB2 ASN 38 HB2 ASN 38 3.200 10.511 1.803 276 HB3 ASN 38 HB3 ASN 38 2.269 11.740 2.655 277 HD21 ASN 38 HD21 ASN 38 1.146 11.112 4.574 278 HD22 ASN 38 HD22 ASN 38 1.545 9.608 5.344 279 H GLU 39 H GLU 39 2.416 9.555 -0.610 280 HA GLU 39 HA GLU 39 1.343 6.852 -0.374 281 HB2 GLU 39 HB2 GLU 39 1.206 8.609 -2.820 282 HB3 GLU 39 HB3 GLU 39 1.036 6.862 -2.874 283 HG2 GLU 39 HG2 GLU 39 -0.953 6.958 -1.546 284 HG3 GLU 39 HG3 GLU 39 -0.718 8.691 -1.280 285 H TYR 40 H TYR 40 2.600 5.355 -1.680 286 HA TYR 40 HA TYR 40 5.305 6.386 -2.251 287 HB2 TYR 40 HB2 TYR 40 4.884 3.686 -1.060 288 HB3 TYR 40 HB3 TYR 40 6.353 4.640 -1.173 289 HD1 TYR 40 HD1 TYR 40 6.324 6.875 0.208 290 HD2 TYR 40 HD2 TYR 40 3.784 3.552 0.864 291 HE1 TYR 40 HE1 TYR 40 5.920 7.645 2.500 292 HE2 TYR 40 HE2 TYR 40 3.392 4.283 3.153 293 HH TYR 40 HH TYR 40 4.198 5.628 4.799 294 H TYR 41 H TYR 41 6.393 5.293 -3.768 295 HA TYR 41 HA TYR 41 4.851 3.798 -5.688 296 HB2 TYR 41 HB2 TYR 41 6.678 5.586 -6.142 297 HB3 TYR 41 HB3 TYR 41 7.830 4.331 -5.726 298 HD1 TYR 41 HD1 TYR 41 4.692 4.042 -7.733 299 HD2 TYR 41 HD2 TYR 41 8.945 3.958 -7.738 300 HE1 TYR 41 HE1 TYR 41 4.672 3.313 -10.073 301 HE2 TYR 41 HE2 TYR 41 8.930 3.231 -10.070 302 HH TYR 41 HH TYR 41 7.350 2.028 -11.533 303 H ILE 42 H ILE 42 4.419 1.778 -5.016 304 HA ILE 42 HA ILE 42 6.248 0.362 -3.235 305 HB ILE 42 HB ILE 42 3.525 -0.522 -4.209 306 HG12 ILE 42 HG12 ILE 42 3.269 1.643 -3.068 307 HG13 ILE 42 HG13 ILE 42 2.588 0.331 -2.114 308 HG21 ILE 42 HG21 ILE 42 3.533 -1.932 -2.199 309 HG22 ILE 42 HG22 ILE 42 5.148 -1.349 -1.804 310 HG23 ILE 42 HG23 ILE 42 4.890 -2.300 -3.265 311 HD11 ILE 42 HD11 ILE 42 5.235 1.668 -1.663 312 HD12 ILE 42 HD12 ILE 42 4.577 0.336 -0.718 313 HD13 ILE 42 HD13 ILE 42 3.762 1.905 -0.716 314 H LYS 43 H LYS 43 7.525 -1.246 -3.950 315 HA LYS 43 HA LYS 43 6.977 -2.338 -6.565 316 HB2 LYS 43 HB2 LYS 43 9.297 -1.675 -6.262 317 HB3 LYS 43 HB3 LYS 43 9.415 -2.626 -4.790 318 HG2 LYS 43 HG2 LYS 43 10.519 -3.721 -6.699 319 HG3 LYS 43 HG3 LYS 43 9.201 -4.684 -6.041 320 HD2 LYS 43 HD2 LYS 43 7.738 -3.863 -7.863 321 HD3 LYS 43 HD3 LYS 43 9.110 -2.981 -8.538 322 HE2 LYS 43 HE2 LYS 43 8.778 -5.093 -9.711 323 HE3 LYS 43 HE3 LYS 43 10.309 -5.096 -8.844 324 HZ1 LYS 43 HZ1 LYS 43 9.405 -6.537 -7.177 325 HZ2 LYS 43 HZ2 LYS 43 8.993 -7.201 -8.640 326 HZ3 LYS 43 HZ3 LYS 43 7.832 -6.365 -7.755 327 H TRP 44 H TRP 44 5.477 -3.838 -6.488 328 HA TRP 44 HA TRP 44 5.132 -5.473 -4.203 329 HB2 TRP 44 HB2 TRP 44 3.789 -5.740 -6.897 330 HB3 TRP 44 HB3 TRP 44 3.309 -6.461 -5.377 331 HD1 TRP 44 HD1 TRP 44 3.057 -3.265 -7.339 332 HE1 TRP 44 HE1 TRP 44 1.520 -1.649 -6.071 333 HE3 TRP 44 HE3 TRP 44 2.646 -5.812 -2.953 334 HZ2 TRP 44 HZ2 TRP 44 0.323 -1.475 -3.600 335 HZ3 TRP 44 HZ3 TRP 44 1.282 -4.854 -1.169 336 HH2 TRP 44 HH2 TRP 44 0.136 -2.715 -1.471 337 H ALA 45 H ALA 45 5.949 -7.305 -3.827 338 HA ALA 45 HA ALA 45 7.528 -8.685 -5.851 339 HB1 ALA 45 HB1 ALA 45 7.044 -9.261 -2.926 340 HB2 ALA 45 HB2 ALA 45 8.487 -8.493 -3.592 341 HB3 ALA 45 HB3 ALA 45 8.131 -10.183 -3.961 342 H GLY 46 H GLY 46 6.982 -10.921 -6.321 343 HA2 GLY 46 HA2 GLY 46 5.538 -12.783 -6.300 344 HA3 GLY 46 HA3 GLY 46 4.338 -11.810 -5.457 345 H TYR 47 H TYR 47 4.755 -9.577 -7.443 346 HA TYR 47 HA TYR 47 3.138 -10.799 -9.556 347 HB2 TYR 47 HB2 TYR 47 2.439 -8.549 -8.141 348 HB3 TYR 47 HB3 TYR 47 3.324 -7.839 -9.506 349 HD1 TYR 47 HD1 TYR 47 1.224 -10.641 -9.429 350 HD2 TYR 47 HD2 TYR 47 1.806 -6.920 -10.838 351 HE1 TYR 47 HE1 TYR 47 -0.830 -10.956 -10.893 352 HE2 TYR 47 HE2 TYR 47 -0.137 -7.063 -12.347 353 HH TYR 47 HH TYR 47 -1.466 -8.865 -13.457 354 H ASP 48 H ASP 48 3.343 -9.368 -11.477 355 HA ASP 48 HA ASP 48 5.892 -9.810 -12.648 356 HB2 ASP 48 HB2 ASP 48 3.981 -9.587 -14.109 357 HB3 ASP 48 HB3 ASP 48 3.721 -7.916 -13.589 358 H TRP 49 H TRP 49 7.505 -8.396 -13.268 359 HA TRP 49 HA TRP 49 8.353 -6.759 -11.130 360 HB2 TRP 49 HB2 TRP 49 9.547 -7.112 -13.872 361 HB3 TRP 49 HB3 TRP 49 10.345 -6.322 -12.514 362 HD1 TRP 49 HD1 TRP 49 9.259 -9.774 -13.748 363 HE1 TRP 49 HE1 TRP 49 10.453 -11.568 -12.349 364 HE3 TRP 49 HE3 TRP 49 11.408 -6.753 -10.227 365 HZ2 TRP 49 HZ2 TRP 49 12.091 -11.690 -10.043 366 HZ3 TRP 49 HZ3 TRP 49 12.768 -7.786 -8.456 367 HH2 TRP 49 HH2 TRP 49 13.100 -10.205 -8.368 368 H TYR 50 H TYR 50 6.562 -5.982 -13.982 369 HA TYR 50 HA TYR 50 7.238 -3.158 -13.762 370 HB2 TYR 50 HB2 TYR 50 5.692 -4.669 -15.877 371 HB3 TYR 50 HB3 TYR 50 6.056 -2.948 -15.922 372 HD1 TYR 50 HD2 TYR 50 8.497 -2.246 -16.011 373 HD2 TYR 50 HD1 TYR 50 7.236 -6.250 -16.702 374 HE1 TYR 50 HE2 TYR 50 10.631 -2.719 -17.134 375 HE2 TYR 50 HE1 TYR 50 9.368 -6.735 -17.827 376 HH TYR 50 HH TYR 50 12.042 -4.674 -17.641 377 H ASP 51 H ASP 51 5.458 -4.737 -11.853 378 HA ASP 51 HA ASP 51 2.796 -3.773 -12.461 379 HB2 ASP 51 HB2 ASP 51 2.045 -5.140 -10.867 380 HB3 ASP 51 HB3 ASP 51 3.429 -6.106 -11.416 381 H ASN 52 H ASN 52 5.432 -2.850 -10.660 382 HA ASN 52 HA ASN 52 4.569 -1.794 -8.299 383 HB2 ASN 52 HB2 ASN 52 6.501 -0.275 -8.362 384 HB3 ASN 52 HB3 ASN 52 6.918 -1.885 -8.909 385 HD21 ASN 52 HD21 ASN 52 5.616 -1.155 -11.625 386 HD22 ASN 52 HD22 ASN 52 6.828 -0.223 -12.411 387 H THR 53 H THR 53 3.610 -0.017 -7.535 388 HA THR 53 HA THR 53 2.779 2.134 -9.241 389 HB THR 53 HB THR 53 1.083 0.424 -9.806 390 HG1 THR 53 HG1 THR 53 -0.645 1.857 -8.346 391 HG21 THR 53 HG21 THR 53 1.159 -0.933 -7.770 392 HG22 THR 53 HG22 THR 53 -0.496 -0.423 -8.094 393 HG23 THR 53 HG23 THR 53 0.449 0.388 -6.843 394 H TRP 54 H TRP 54 1.051 3.432 -7.774 395 HA TRP 54 HA TRP 54 2.526 3.969 -5.302 396 HB2 TRP 54 HB2 TRP 54 0.346 5.599 -6.621 397 HB3 TRP 54 HB3 TRP 54 1.367 6.104 -5.283 398 HD1 TRP 54 HD1 TRP 54 1.416 5.576 -9.064 399 HE1 TRP 54 HE1 TRP 54 3.447 6.772 -10.049 400 HE3 TRP 54 HE3 TRP 54 3.755 6.924 -4.713 401 HZ2 TRP 54 HZ2 TRP 54 5.750 8.131 -9.119 402 HZ3 TRP 54 HZ3 TRP 54 5.856 8.172 -4.862 403 HH2 TRP 54 HH2 TRP 54 6.836 8.761 -7.012 404 H GLU 55 H GLU 55 1.651 3.710 -3.316 405 HA GLU 55 HA GLU 55 -1.256 3.288 -3.012 406 HB2 GLU 55 HB2 GLU 55 0.995 1.695 -1.798 407 HB3 GLU 55 HB3 GLU 55 -0.595 1.762 -1.072 408 HG2 GLU 55 HG2 GLU 55 0.015 0.717 -3.823 409 HG3 GLU 55 HG3 GLU 55 -0.200 -0.221 -2.334 410 HA PRO 56 HA PRO 56 -0.572 6.244 0.331 411 HB2 PRO 56 HB2 PRO 56 -2.715 5.592 1.901 412 HB3 PRO 56 HB3 PRO 56 -2.895 6.521 0.394 413 HG2 PRO 56 HG2 PRO 56 -3.368 3.630 0.883 414 HG3 PRO 56 HG3 PRO 56 -4.325 4.787 -0.068 415 HD2 PRO 56 HD2 PRO 56 -2.641 3.046 -1.226 416 HD3 PRO 56 HD3 PRO 56 -2.930 4.670 -1.883 417 H GLU 57 H GLU 57 0.055 6.150 2.669 418 HA GLU 57 HA GLU 57 1.343 3.780 3.296 419 HB2 GLU 57 HB2 GLU 57 2.023 4.663 5.458 420 HB3 GLU 57 HB3 GLU 57 2.275 5.808 4.170 421 HG2 GLU 57 HG2 GLU 57 0.283 7.039 4.944 422 HG3 GLU 57 HG3 GLU 57 0.160 5.904 6.298 423 H GLN 58 H GLN 58 -1.776 4.551 3.846 424 HA GLN 58 HA GLN 58 -2.579 2.937 5.988 425 HB2 GLN 58 HB2 GLN 58 -4.075 3.467 3.427 426 HB3 GLN 58 HB3 GLN 58 -4.781 2.904 4.935 427 HG2 GLN 58 HG2 GLN 58 -4.123 5.003 6.020 428 HG3 GLN 58 HG3 GLN 58 -3.438 5.565 4.500 429 HE21 GLN 58 HE21 GLN 58 -5.664 4.381 2.917 430 HE22 GLN 58 HE22 GLN 58 -6.997 5.439 3.224 431 H ASN 59 H ASN 59 -1.499 1.972 2.830 432 HA ASN 59 HA ASN 59 -2.633 -0.682 3.126 433 HB2 ASN 59 HB2 ASN 59 -1.024 0.631 0.994 434 HB3 ASN 59 HB3 ASN 59 -1.101 -1.117 1.074 435 HD21 ASN 59 HD21 ASN 59 -3.632 1.504 1.458 436 HD22 ASN 59 HD22 ASN 59 -4.560 0.766 0.205 437 H LEU 60 H LEU 60 0.099 0.806 4.338 438 HA LEU 60 HA LEU 60 1.973 -1.304 3.650 439 HB2 LEU 60 HB2 LEU 60 2.266 1.447 4.798 440 HB3 LEU 60 HB3 LEU 60 3.583 0.306 4.910 441 HG LEU 60 HG LEU 60 3.822 1.931 3.032 442 HD11 LEU 60 HD11 LEU 60 4.952 -0.197 2.931 443 HD12 LEU 60 HD12 LEU 60 4.455 0.345 1.332 444 HD13 LEU 60 HD13 LEU 60 3.546 -0.924 2.152 445 HD21 LEU 60 HD21 LEU 60 1.505 0.460 1.791 446 HD22 LEU 60 HD22 LEU 60 2.469 1.718 1.021 447 HD23 LEU 60 HD23 LEU 60 1.432 2.107 2.392 448 H PHE 61 H PHE 61 -0.155 -1.627 5.734 449 HA PHE 61 HA PHE 61 0.731 -1.593 8.363 450 HB2 PHE 61 HB2 PHE 61 -1.058 -3.150 8.881 451 HB3 PHE 61 HB3 PHE 61 -1.604 -2.036 7.634 452 HD1 PHE 61 HD1 PHE 61 -1.696 -2.851 5.235 453 HD2 PHE 61 HD2 PHE 61 -1.093 -5.481 8.526 454 HE1 PHE 61 HE1 PHE 61 -2.345 -4.759 3.828 455 HE2 PHE 61 HE2 PHE 61 -1.743 -7.391 7.123 456 HZ PHE 61 HZ PHE 61 -2.370 -7.031 4.769 457 H GLY 62 H GLY 62 1.464 -4.081 5.950 458 HA2 GLY 62 HA2 GLY 62 2.768 -5.765 7.976 459 HA3 GLY 62 HA3 GLY 62 2.430 -6.226 6.312 460 H ALA 63 H ALA 63 3.414 -3.471 5.682 461 HA ALA 63 HA ALA 63 6.190 -4.227 5.032 462 HB1 ALA 63 HB1 ALA 63 4.595 -3.609 3.300 463 HB2 ALA 63 HB2 ALA 63 5.955 -2.488 3.415 464 HB3 ALA 63 HB3 ALA 63 4.380 -2.044 4.077 465 H GLU 64 H GLU 64 5.355 -3.310 7.747 466 HA GLU 64 HA GLU 64 6.227 -0.708 8.194 467 HB2 GLU 64 HB2 GLU 64 5.120 -1.898 9.967 468 HB3 GLU 64 HB3 GLU 64 6.346 -3.152 9.973 469 HG2 GLU 64 HG2 GLU 64 6.559 -1.700 11.915 470 HG3 GLU 64 HG3 GLU 64 7.974 -1.584 10.881 471 H LYS 65 H LYS 65 8.077 -3.647 7.819 472 HA LYS 65 HA LYS 65 10.593 -2.695 8.664 473 HB2 LYS 65 HB2 LYS 65 10.294 -4.587 6.319 474 HB3 LYS 65 HB3 LYS 65 11.638 -4.470 7.433 475 HG2 LYS 65 HG2 LYS 65 10.001 -5.304 9.226 476 HG3 LYS 65 HG3 LYS 65 8.938 -5.719 7.877 477 HD2 LYS 65 HD2 LYS 65 10.955 -6.943 6.883 478 HD3 LYS 65 HD3 LYS 65 11.697 -6.779 8.468 479 HE2 LYS 65 HE2 LYS 65 10.733 -8.942 8.415 480 HE3 LYS 65 HE3 LYS 65 9.645 -7.963 9.393 481 HZ1 LYS 65 HZ1 LYS 65 8.556 -9.457 7.698 482 HZ2 LYS 65 HZ2 LYS 65 9.200 -8.447 6.495 483 HZ3 LYS 65 HZ3 LYS 65 8.092 -7.834 7.600 484 H VAL 66 H VAL 66 9.221 -2.768 5.389 485 HA VAL 66 HA VAL 66 11.342 -1.231 4.307 486 HB VAL 66 HB VAL 66 9.966 -1.097 2.233 487 HG11 VAL 66 HG11 VAL 66 10.460 -3.775 3.481 488 HG12 VAL 66 HG12 VAL 66 11.527 -2.862 2.413 489 HG13 VAL 66 HG13 VAL 66 10.030 -3.555 1.790 490 HG21 VAL 66 HG21 VAL 66 7.996 -2.532 2.087 491 HG22 VAL 66 HG22 VAL 66 7.778 -1.128 3.131 492 HG23 VAL 66 HG23 VAL 66 8.037 -2.718 3.843 493 H LEU 67 H LEU 67 8.158 -0.423 5.509 494 HA LEU 67 HA LEU 67 7.924 2.187 4.568 495 HB2 LEU 67 HB2 LEU 67 6.082 0.963 5.567 496 HB3 LEU 67 HB3 LEU 67 6.933 0.886 7.094 497 HG LEU 67 HG LEU 67 6.704 3.325 7.337 498 HD11 LEU 67 HD11 LEU 67 6.614 3.935 4.993 499 HD12 LEU 67 HD12 LEU 67 5.217 4.552 5.870 500 HD13 LEU 67 HD13 LEU 67 5.048 3.136 4.833 501 HD21 LEU 67 HD21 LEU 67 4.300 3.338 7.789 502 HD22 LEU 67 HD22 LEU 67 5.057 1.844 8.340 503 HD23 LEU 67 HD23 LEU 67 4.116 1.857 6.848 504 H LYS 68 H LYS 68 9.052 1.061 7.799 505 HA LYS 68 HA LYS 68 9.893 3.468 8.659 506 HB2 LYS 68 HB2 LYS 68 9.526 1.322 9.965 507 HB3 LYS 68 HB3 LYS 68 11.096 0.800 9.381 508 HG2 LYS 68 HG2 LYS 68 11.308 1.673 11.603 509 HG3 LYS 68 HG3 LYS 68 12.133 2.732 10.462 510 HD2 LYS 68 HD2 LYS 68 10.956 4.268 11.842 511 HD3 LYS 68 HD3 LYS 68 9.969 4.015 10.394 512 HE2 LYS 68 HE2 LYS 68 9.370 2.308 12.753 513 HE3 LYS 68 HE3 LYS 68 8.872 3.992 12.805 514 HZ1 LYS 68 HZ1 LYS 68 8.087 2.088 10.622 515 HZ2 LYS 68 HZ2 LYS 68 7.439 3.603 10.862 516 HZ3 LYS 68 HZ3 LYS 68 7.195 2.358 11.941 517 H LYS 69 H LYS 69 11.710 0.950 6.854 518 HA LYS 69 HA LYS 69 14.169 2.339 6.906 519 HB2 LYS 69 HB2 LYS 69 13.232 0.564 4.639 520 HB3 LYS 69 HB3 LYS 69 14.860 1.166 4.848 521 HG2 LYS 69 HG2 LYS 69 14.735 -0.127 7.114 522 HG3 LYS 69 HG3 LYS 69 13.423 -0.994 6.312 523 HD2 LYS 69 HD2 LYS 69 16.311 -0.782 5.433 524 HD3 LYS 69 HD3 LYS 69 15.440 -2.232 5.912 525 HE2 LYS 69 HE2 LYS 69 14.856 -0.589 3.431 526 HE3 LYS 69 HE3 LYS 69 15.822 -2.054 3.460 527 HZ1 LYS 69 HZ1 LYS 69 13.901 -3.322 4.045 528 HZ2 LYS 69 HZ2 LYS 69 13.522 -2.323 2.721 529 HZ3 LYS 69 HZ3 LYS 69 12.971 -1.911 4.254 530 H TRP 70 H TRP 70 11.418 2.622 4.753 531 HA TRP 70 HA TRP 70 12.699 4.225 2.849 532 HB2 TRP 70 HB2 TRP 70 10.702 3.154 2.143 533 HB3 TRP 70 HB3 TRP 70 9.762 3.887 3.446 534 HD1 TRP 70 HD1 TRP 70 8.496 6.004 2.826 535 HE1 TRP 70 HE1 TRP 70 8.677 7.782 1.023 536 HE3 TRP 70 HE3 TRP 70 12.657 4.276 0.414 537 HZ2 TRP 70 HZ2 TRP 70 10.356 8.396 -1.180 538 HZ3 TRP 70 HZ3 TRP 70 13.488 5.522 -1.537 539 HH2 TRP 70 HH2 TRP 70 12.360 7.538 -2.315 540 H LYS 71 H LYS 71 10.403 5.261 5.370 541 HA LYS 71 HA LYS 71 10.940 7.956 4.775 542 HB2 LYS 71 HB2 LYS 71 9.470 6.677 7.060 543 HB3 LYS 71 HB3 LYS 71 9.818 8.418 7.076 544 HG2 LYS 71 HG2 LYS 71 8.576 8.681 4.999 545 HG3 LYS 71 HG3 LYS 71 8.276 6.946 4.945 546 HD2 LYS 71 HD2 LYS 71 6.874 7.059 6.907 547 HD3 LYS 71 HD3 LYS 71 7.332 8.740 7.201 548 HE2 LYS 71 HE2 LYS 71 6.185 9.466 5.208 549 HE3 LYS 71 HE3 LYS 71 5.909 7.804 4.709 550 HZ1 LYS 71 HZ1 LYS 71 3.909 8.824 5.597 551 HZ2 LYS 71 HZ2 LYS 71 4.570 9.054 7.116 552 HZ3 LYS 71 HZ3 LYS 71 4.296 7.529 6.504 553 H LYS 72 H LYS 72 12.608 5.738 6.754 554 HA LYS 72 HA LYS 72 14.282 7.558 8.214 555 HB2 LYS 72 HB2 LYS 72 14.001 5.061 8.513 556 HB3 LYS 72 HB3 LYS 72 15.084 4.908 7.136 557 HG2 LYS 72 HG2 LYS 72 16.350 6.726 8.786 558 HG3 LYS 72 HG3 LYS 72 15.686 5.523 9.891 559 HD2 LYS 72 HD2 LYS 72 17.732 4.616 9.349 560 HD3 LYS 72 HD3 LYS 72 16.540 3.884 8.228 561 HE2 LYS 72 HE2 LYS 72 18.703 4.553 7.110 562 HE3 LYS 72 HE3 LYS 72 17.233 5.223 6.412 563 HZ1 LYS 72 HZ1 LYS 72 18.982 6.713 8.322 564 HZ2 LYS 72 HZ2 LYS 72 17.658 7.313 7.424 565 HZ3 LYS 72 HZ3 LYS 72 19.053 6.857 6.636 566 H ARG 73 H ARG 73 14.302 6.300 4.954 567 HA ARG 73 HA ARG 73 17.008 7.082 4.385 568 HB2 ARG 73 HB2 ARG 73 14.837 5.795 2.798 569 HB3 ARG 73 HB3 ARG 73 16.241 6.469 1.983 570 HG2 ARG 73 HG2 ARG 73 17.711 5.008 3.171 571 HG3 ARG 73 HG3 ARG 73 16.394 4.446 4.199 572 HD2 ARG 73 HD2 ARG 73 16.426 4.100 1.208 573 HD3 ARG 73 HD3 ARG 73 17.069 2.910 2.349 574 HE ARG 73 HE ARG 73 14.569 3.475 3.236 575 HH11 ARG 73 HH11 ARG 73 15.796 2.187 0.102 576 HH12 ARG 73 HH12 ARG 73 14.407 1.215 -0.150 577 HH21 ARG 73 HH21 ARG 73 12.628 2.015 2.707 578 HH22 ARG 73 HH22 ARG 73 12.739 1.099 1.260 579 H LYS 74 H LYS 74 13.910 8.586 4.146 580 HA LYS 74 HA LYS 74 14.984 10.487 2.216 581 HB2 LYS 74 HB2 LYS 74 12.877 9.467 1.621 582 HB3 LYS 74 HB3 LYS 74 12.156 10.131 3.089 583 HG2 LYS 74 HG2 LYS 74 12.627 12.372 2.372 584 HG3 LYS 74 HG3 LYS 74 13.462 11.770 0.941 585 HD2 LYS 74 HD2 LYS 74 11.473 10.782 0.158 586 HD3 LYS 74 HD3 LYS 74 10.643 11.284 1.648 587 HE2 LYS 74 HE2 LYS 74 10.985 13.632 1.074 588 HE3 LYS 74 HE3 LYS 74 11.906 13.170 -0.357 589 HZ1 LYS 74 HZ1 LYS 74 9.904 12.094 -1.198 590 HZ2 LYS 74 HZ2 LYS 74 9.603 13.742 -0.992 591 HZ3 LYS 74 HZ3 LYS 74 9.019 12.582 0.081 592 H LYS 75 H LYS 75 15.998 12.034 3.111 593 HA LYS 75 HA LYS 75 14.736 13.411 5.349 594 HB2 LYS 75 HB2 LYS 75 16.940 14.626 5.529 595 HB3 LYS 75 HB3 LYS 75 17.022 12.911 5.885 596 HG2 LYS 75 HG2 LYS 75 18.202 12.419 3.946 597 HG3 LYS 75 HG3 LYS 75 17.641 13.869 3.118 598 HD2 LYS 75 HD2 LYS 75 19.608 13.792 5.412 599 HD3 LYS 75 HD3 LYS 75 20.020 14.019 3.710 600 HE2 LYS 75 HE2 LYS 75 18.451 15.904 5.496 601 HE3 LYS 75 HE3 LYS 75 20.005 16.178 4.733 602 HZ1 LYS 75 HZ1 LYS 75 18.875 16.128 2.537 603 HZ2 LYS 75 HZ2 LYS 75 18.182 17.313 3.545 604 HZ3 LYS 75 HZ3 LYS 75 17.409 15.869 3.320 605 H1 ALA 1 H1 ALA 1 10.773 -19.326 11.674 606 H2 ALA 1 H2 ALA 1 10.911 -17.637 11.434 607 H3 ALA 1 H3 ALA 1 12.070 -18.645 10.793 608 HA ALA 1 HA ALA 1 10.477 -19.544 9.254 609 HB1 ALA 1 HB1 ALA 1 8.474 -19.302 10.662 610 HB2 ALA 1 HB2 ALA 1 8.250 -18.486 9.114 611 HB3 ALA 1 HB3 ALA 1 8.612 -17.547 10.562 612 H ARG 2 H ARG 2 9.909 -18.207 7.244 613 HA ARG 2 HA ARG 2 11.745 -15.949 7.139 614 HB2 ARG 2 HB2 ARG 2 10.198 -17.350 4.923 615 HB3 ARG 2 HB3 ARG 2 11.177 -15.924 4.666 616 HG2 ARG 2 HG2 ARG 2 12.490 -17.722 3.929 617 HG3 ARG 2 HG3 ARG 2 13.146 -17.305 5.507 618 HD2 ARG 2 HD2 ARG 2 13.010 -19.714 5.278 619 HD3 ARG 2 HD3 ARG 2 11.859 -19.169 6.496 620 HE ARG 2 HE ARG 2 10.303 -19.230 4.362 621 HH11 ARG 2 HH11 ARG 2 12.691 -21.669 5.373 622 HH12 ARG 2 HH12 ARG 2 11.828 -22.995 4.771 623 HH21 ARG 2 HH21 ARG 2 9.083 -21.096 3.513 624 HH22 ARG 2 HH22 ARG 2 9.712 -22.656 3.681 625 H THR 3 H THR 3 10.992 -13.873 6.263 626 HA THR 3 HA THR 3 8.144 -13.500 6.308 627 HB THR 3 HB THR 3 8.645 -13.051 8.621 628 HG1 THR 3 HG1 THR 3 7.248 -11.564 7.836 629 HG21 THR 3 HG21 THR 3 10.844 -11.198 7.669 630 HG22 THR 3 HG22 THR 3 11.075 -12.747 8.479 631 HG23 THR 3 HG23 THR 3 10.338 -11.400 9.346 632 H LYS 4 H LYS 4 7.509 -11.980 4.889 633 HA LYS 4 HA LYS 4 9.517 -10.178 3.850 634 HB2 LYS 4 HB2 LYS 4 8.866 -12.119 2.203 635 HB3 LYS 4 HB3 LYS 4 7.306 -11.312 2.098 636 HG2 LYS 4 HG2 LYS 4 8.442 -9.254 1.331 637 HG3 LYS 4 HG3 LYS 4 9.977 -10.099 1.387 638 HD2 LYS 4 HD2 LYS 4 7.634 -10.696 -0.434 639 HD3 LYS 4 HD3 LYS 4 9.144 -9.928 -0.901 640 HE2 LYS 4 HE2 LYS 4 9.518 -12.076 -1.631 641 HE3 LYS 4 HE3 LYS 4 10.169 -12.197 0.004 642 HZ1 LYS 4 HZ1 LYS 4 7.505 -13.059 -0.950 643 HZ2 LYS 4 HZ2 LYS 4 7.786 -13.000 0.593 644 HZ3 LYS 4 HZ3 LYS 4 8.681 -14.115 -0.375 645 H GLN 5 H GLN 5 8.299 -8.296 2.835 646 HA GLN 5 HA GLN 5 6.387 -7.320 4.784 647 HB2 GLN 5 HB2 GLN 5 7.605 -6.148 2.311 648 HB3 GLN 5 HB3 GLN 5 6.489 -5.301 3.359 649 HG2 GLN 5 HG2 GLN 5 8.692 -4.636 3.560 650 HG3 GLN 5 HG3 GLN 5 8.102 -5.281 5.097 651 HE21 GLN 5 HE21 GLN 5 10.293 -5.815 2.390 652 HE22 GLN 5 HE22 GLN 5 11.242 -7.038 3.132 653 H THR 6 H THR 6 4.190 -6.793 4.168 654 HA THR 6 HA THR 6 3.657 -7.111 1.377 655 HB THR 6 HB THR 6 1.864 -8.537 1.541 656 HG1 THR 6 HG1 THR 6 0.603 -8.715 3.361 657 HG21 THR 6 HG21 THR 6 3.899 -9.822 2.028 658 HG22 THR 6 HG22 THR 6 2.477 -10.582 2.739 659 HG23 THR 6 HG23 THR 6 3.594 -9.666 3.755 660 H ALA 7 H ALA 7 1.554 -6.138 0.829 661 HA ALA 7 HA ALA 7 0.410 -4.413 2.833 662 HB1 ALA 7 HB1 ALA 7 1.513 -3.379 0.194 663 HB2 ALA 7 HB2 ALA 7 2.123 -2.981 1.795 664 HB3 ALA 7 HB3 ALA 7 0.511 -2.456 1.315 665 H ARG 8 H ARG 8 -1.554 -3.379 1.696 666 HA ARG 8 HA ARG 8 -3.125 -5.562 0.859 667 HB2 ARG 8 HB2 ARG 8 -3.882 -2.707 0.354 668 HB3 ARG 8 HB3 ARG 8 -4.931 -4.096 0.558 669 HG2 ARG 8 HG2 ARG 8 -4.163 -4.214 2.933 670 HG3 ARG 8 HG3 ARG 8 -3.334 -2.675 2.677 671 HD2 ARG 8 HD2 ARG 8 -5.360 -1.934 3.483 672 HD3 ARG 8 HD3 ARG 8 -5.692 -1.940 1.751 673 HE ARG 8 HE ARG 8 -6.823 -3.624 3.771 674 HH11 ARG 8 HH11 ARG 8 -6.465 -3.305 0.182 675 HH12 ARG 8 HH12 ARG 8 -7.535 -4.582 -0.116 676 HH21 ARG 8 HH21 ARG 8 -8.413 -5.311 3.197 677 HH22 ARG 8 HH22 ARG 8 -8.579 -5.679 1.539 678 H M3L 9 H M3L 9 -2.400 -2.639 -1.032 679 HA M3L 9 HA M3L 9 -2.170 -2.210 -3.208 680 HB2 M3L 9 1HB M3L 9 -1.203 -4.432 -3.785 681 HB3 M3L 9 2HB M3L 9 -2.830 -5.082 -3.918 682 HG2 M3L 9 1HG M3L 9 -2.133 -2.690 -5.554 683 HG3 M3L 9 2HG M3L 9 -3.257 -4.000 -5.904 684 HD2 M3L 9 1HD M3L 9 -0.768 -3.690 -7.000 685 HD3 M3L 9 2HD M3L 9 -0.440 -4.851 -5.728 686 HE2 M3L 9 1HE M3L 9 -2.594 -5.074 -7.841 687 HE3 M3L 9 2HE M3L 9 -2.327 -6.239 -6.575 688 HM11 M3L 9 1HM1 M3L 9 -0.688 -8.016 -9.518 689 HM12 M3L 9 2HM1 M3L 9 -1.739 -8.208 -8.137 690 HM13 M3L 9 3HM1 M3L 9 -2.241 -7.206 -9.445 691 HM21 M3L 9 1HM2 M3L 9 0.842 -7.644 -7.664 692 HM22 M3L 9 2HM2 M3L 9 0.185 -6.827 -6.250 693 HM23 M3L 9 3HM2 M3L 9 1.251 -6.013 -7.354 694 HM31 M3L 9 3HM3 M3L 9 0.850 -5.411 -9.293 695 HM32 M3L 9 1HM3 M3L 9 -0.672 -5.332 -10.152 696 HM33 M3L 9 2HM3 M3L 9 -0.309 -4.227 -8.848 697 H SER 10 H SER 10 -3.735 -0.846 -3.164 698 HA SER 10 HA SER 10 -6.375 -1.599 -2.480 699 HB2 SER 10 HB2 SER 10 -5.165 1.100 -3.306 700 HB3 SER 10 HB3 SER 10 -6.805 0.886 -2.635 701 HG SER 10 HG SER 10 -4.293 0.661 -1.647 702 H THR 11 H THR 11 -8.268 -1.225 -3.878 703 HA THR 11 HA THR 11 -7.547 -2.339 -6.413 704 HB THR 11 HB THR 11 -10.022 -2.709 -6.741 705 HG1 THR 11 HG1 THR 11 -10.524 -2.397 -4.074 706 HG21 THR 11 HG21 THR 11 -8.788 -3.825 -4.215 707 HG22 THR 11 HG22 THR 11 -8.579 -4.471 -5.842 708 HG23 THR 11 HG23 THR 11 -10.164 -4.521 -5.070 709 H GLY 12 H GLY 12 -6.830 -0.967 -7.751 710 HA2 GLY 12 HA2 GLY 12 -8.473 1.367 -8.419 711 HA3 GLY 12 HA3 GLY 12 -6.715 1.290 -8.603 712 H GLY 13 H GLY 13 -8.178 1.963 -10.765 713 HA2 GLY 13 HA2 GLY 13 -8.258 1.291 -13.006 714 HA3 GLY 13 HA3 GLY 13 -7.910 -0.366 -12.495 715 H LYS 14 H LYS 14 -10.205 1.283 -10.712 716 HA LYS 14 HA LYS 14 -12.351 -0.405 -11.728 717 HB2 LYS 14 HB2 LYS 14 -11.845 -0.282 -9.254 718 HB3 LYS 14 HB3 LYS 14 -12.286 1.416 -9.288 719 HG2 LYS 14 HG2 LYS 14 -14.567 0.741 -10.019 720 HG3 LYS 14 HG3 LYS 14 -14.086 -0.938 -9.824 721 HD2 LYS 14 HD2 LYS 14 -14.158 1.141 -7.614 722 HD3 LYS 14 HD3 LYS 14 -15.386 -0.081 -7.891 723 HE2 LYS 14 HE2 LYS 14 -14.124 -0.978 -6.135 724 HE3 LYS 14 HE3 LYS 14 -13.453 -1.781 -7.546 725 HZ1 LYS 14 HZ1 LYS 14 -11.558 -0.217 -7.472 726 HZ2 LYS 14 HZ2 LYS 14 -11.705 -0.993 -6.000 727 HZ3 LYS 14 HZ3 LYS 14 -12.258 0.576 -6.173 728 H ALA 15 H ALA 15 -12.835 0.667 -13.618 729 HA ALA 15 HA ALA 15 -13.317 3.533 -13.511 730 HB1 ALA 15 HB1 ALA 15 -13.100 1.696 -15.886 731 HB2 ALA 15 HB2 ALA 15 -11.801 2.692 -15.231 732 HB3 ALA 15 HB3 ALA 15 -13.226 3.456 -15.939 733 HA PRO 16 HA PRO 16 -17.721 2.536 -13.600 734 HB2 PRO 16 HB2 PRO 16 -18.094 5.442 -13.528 735 HB3 PRO 16 HB3 PRO 16 -18.554 4.248 -12.298 736 HG2 PRO 16 HG2 PRO 16 -16.594 6.036 -11.893 737 HG3 PRO 16 HG3 PRO 16 -16.590 4.415 -11.170 738 HD2 PRO 16 HD2 PRO 16 -15.057 5.419 -13.525 739 HD3 PRO 16 HD3 PRO 16 -14.567 4.318 -12.215 740 H ARG 17 H ARG 17 -18.169 1.948 -15.664 741 HA ARG 17 HA ARG 17 -17.958 4.011 -17.713 742 HB2 ARG 17 HB2 ARG 17 -16.536 2.107 -18.164 743 HB3 ARG 17 HB3 ARG 17 -17.892 1.014 -17.996 744 HG2 ARG 17 HG2 ARG 17 -17.341 1.279 -20.341 745 HG3 ARG 17 HG3 ARG 17 -18.918 1.988 -20.022 746 HD2 ARG 17 HD2 ARG 17 -16.416 3.667 -20.066 747 HD3 ARG 17 HD3 ARG 17 -17.266 3.264 -21.550 748 HE ARG 17 HE ARG 17 -19.265 4.355 -20.380 749 HH11 ARG 17 HH11 ARG 17 -15.930 5.430 -19.840 750 HH12 ARG 17 HH12 ARG 17 -16.349 7.065 -19.572 751 HH21 ARG 17 HH21 ARG 17 -19.847 6.553 -20.013 752 HH22 ARG 17 HH22 ARG 17 -18.690 7.739 -19.685 753 H TYR 18 H TYR 18 -19.814 4.974 -17.734 754 HA TYR 18 HA TYR 18 -22.080 3.368 -18.584 755 HB2 TYR 18 HB2 TYR 18 -22.501 4.663 -16.440 756 HB3 TYR 18 HB3 TYR 18 -22.082 6.140 -17.300 757 HD1 TYR 18 HD2 TYR 18 -24.526 3.340 -17.238 758 HD2 TYR 18 HD1 TYR 18 -23.732 7.321 -18.520 759 HE1 TYR 18 HE2 TYR 18 -26.874 3.584 -17.925 760 HE2 TYR 18 HE1 TYR 18 -26.075 7.572 -19.209 761 HH TYR 18 HH TYR 18 -27.943 6.140 -19.868 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -28.340 -3.226 29.513 2 H2 MET 1 H2 MET 1 -29.997 -3.714 29.466 3 H3 MET 1 H3 MET 1 -28.805 -4.538 28.583 4 HA MET 1 HA MET 1 -28.736 -4.426 31.488 5 HB2 MET 1 HB2 MET 1 -29.829 -6.548 29.606 6 HB3 MET 1 HB3 MET 1 -29.417 -6.868 31.279 7 HG2 MET 1 HG2 MET 1 -31.823 -6.555 30.977 8 HG3 MET 1 HG3 MET 1 -31.137 -5.322 32.027 9 HE1 MET 1 HE1 MET 1 -34.048 -5.157 30.644 10 HE2 MET 1 HE2 MET 1 -34.076 -3.464 30.155 11 HE3 MET 1 HE3 MET 1 -33.416 -3.917 31.727 12 H VAL 2 H VAL 2 -27.289 -6.365 32.162 13 HA VAL 2 HA VAL 2 -24.861 -6.148 30.659 14 HB VAL 2 HB VAL 2 -25.537 -7.930 33.034 15 HG11 VAL 2 HG11 VAL 2 -22.854 -7.105 31.921 16 HG12 VAL 2 HG12 VAL 2 -23.572 -8.712 31.825 17 HG13 VAL 2 HG13 VAL 2 -23.109 -8.045 33.391 18 HG21 VAL 2 HG21 VAL 2 -25.838 -5.584 33.612 19 HG22 VAL 2 HG22 VAL 2 -24.230 -5.209 32.991 20 HG23 VAL 2 HG23 VAL 2 -24.408 -6.234 34.416 21 H SER 3 H SER 3 -24.132 -7.614 29.189 22 HA SER 3 HA SER 3 -25.286 -10.234 29.003 23 HB2 SER 3 HB2 SER 3 -25.526 -8.236 26.723 24 HB3 SER 3 HB3 SER 3 -26.016 -9.930 26.676 25 HG SER 3 HG SER 3 -27.200 -8.950 28.744 26 H VAL 4 H VAL 4 -24.150 -11.269 26.949 27 HA VAL 4 HA VAL 4 -21.328 -10.603 27.223 28 HB VAL 4 HB VAL 4 -22.629 -12.999 25.868 29 HG11 VAL 4 HG11 VAL 4 -20.413 -14.041 26.005 30 HG12 VAL 4 HG12 VAL 4 -19.760 -12.554 26.690 31 HG13 VAL 4 HG13 VAL 4 -20.380 -12.566 25.039 32 HG21 VAL 4 HG21 VAL 4 -21.996 -14.282 27.868 33 HG22 VAL 4 HG22 VAL 4 -23.141 -12.995 28.250 34 HG23 VAL 4 HG23 VAL 4 -21.432 -12.795 28.631 35 H LYS 5 H LYS 5 -20.117 -9.907 25.490 36 HA LYS 5 HA LYS 5 -21.667 -9.393 23.071 37 HB2 LYS 5 HB2 LYS 5 -19.127 -7.912 23.750 38 HB3 LYS 5 HB3 LYS 5 -20.405 -7.433 22.658 39 HG2 LYS 5 HG2 LYS 5 -20.357 -7.273 25.668 40 HG3 LYS 5 HG3 LYS 5 -20.488 -5.964 24.515 41 HD2 LYS 5 HD2 LYS 5 -22.632 -8.007 25.196 42 HD3 LYS 5 HD3 LYS 5 -22.598 -6.336 25.722 43 HE2 LYS 5 HE2 LYS 5 -24.168 -6.346 23.999 44 HE3 LYS 5 HE3 LYS 5 -22.707 -5.787 23.192 45 HZ1 LYS 5 HZ1 LYS 5 -23.627 -8.603 23.199 46 HZ2 LYS 5 HZ2 LYS 5 -22.382 -7.940 22.252 47 HZ3 LYS 5 HZ3 LYS 5 -23.995 -7.500 21.973 48 HA PRO 6 HA PRO 6 -18.825 -12.083 20.981 49 HB2 PRO 6 HB2 PRO 6 -18.656 -10.298 18.654 50 HB3 PRO 6 HB3 PRO 6 -19.407 -11.902 18.766 51 HG2 PRO 6 HG2 PRO 6 -20.879 -9.702 18.471 52 HG3 PRO 6 HG3 PRO 6 -21.429 -11.089 19.434 53 HD2 PRO 6 HD2 PRO 6 -20.266 -8.502 20.382 54 HD3 PRO 6 HD3 PRO 6 -21.641 -9.432 21.014 55 H LEU 7 H LEU 7 -16.786 -12.239 21.509 56 HA LEU 7 HA LEU 7 -14.984 -9.969 21.126 57 HB2 LEU 7 HB2 LEU 7 -14.770 -12.350 22.995 58 HB3 LEU 7 HB3 LEU 7 -13.560 -11.097 22.833 59 HG LEU 7 HG LEU 7 -16.356 -10.728 23.924 60 HD11 LEU 7 HD11 LEU 7 -15.227 -10.340 26.054 61 HD12 LEU 7 HD12 LEU 7 -13.678 -10.713 25.300 62 HD13 LEU 7 HD13 LEU 7 -14.916 -11.962 25.438 63 HD21 LEU 7 HD21 LEU 7 -15.596 -8.465 24.524 64 HD22 LEU 7 HD22 LEU 7 -15.595 -8.711 22.781 65 HD23 LEU 7 HD23 LEU 7 -14.076 -8.756 23.676 66 HA PRO 8 HA PRO 8 -13.023 -12.462 18.049 67 HB2 PRO 8 HB2 PRO 8 -10.326 -11.770 18.984 68 HB3 PRO 8 HB3 PRO 8 -11.132 -11.307 17.472 69 HG2 PRO 8 HG2 PRO 8 -10.653 -9.518 19.390 70 HG3 PRO 8 HG3 PRO 8 -12.100 -9.445 18.365 71 HD2 PRO 8 HD2 PRO 8 -11.844 -10.431 21.173 72 HD3 PRO 8 HD3 PRO 8 -13.118 -9.439 20.431 73 H ASP 9 H ASP 9 -13.515 -14.549 18.700 74 HA ASP 9 HA ASP 9 -11.650 -16.015 20.373 75 HB2 ASP 9 HB2 ASP 9 -13.241 -17.870 20.061 76 HB3 ASP 9 HB3 ASP 9 -14.120 -16.422 20.536 77 H ILE 10 H ILE 10 -12.714 -15.602 17.133 78 HA ILE 10 HA ILE 10 -11.147 -17.540 15.820 79 HB ILE 10 HB ILE 10 -12.171 -14.874 14.765 80 HG12 ILE 10 HG12 ILE 10 -14.008 -16.239 15.630 81 HG13 ILE 10 HG13 ILE 10 -14.092 -16.137 13.877 82 HG21 ILE 10 HG21 ILE 10 -10.465 -15.772 13.289 83 HG22 ILE 10 HG22 ILE 10 -12.051 -15.878 12.524 84 HG23 ILE 10 HG23 ILE 10 -11.309 -17.319 13.219 85 HD11 ILE 10 HD11 ILE 10 -13.126 -18.394 13.723 86 HD12 ILE 10 HD12 ILE 10 -14.629 -18.371 14.644 87 HD13 ILE 10 HD13 ILE 10 -13.085 -18.485 15.486 88 H ASP 11 H ASP 11 -9.156 -17.337 14.788 89 HA ASP 11 HA ASP 11 -7.096 -16.063 16.097 90 HB2 ASP 11 HB2 ASP 11 -6.709 -17.986 14.650 91 HB3 ASP 11 HB3 ASP 11 -7.176 -17.054 13.235 92 H SER 12 H SER 12 -5.929 -14.313 15.807 93 HA SER 12 HA SER 12 -7.248 -12.089 14.443 94 HB2 SER 12 HB2 SER 12 -6.840 -11.837 16.870 95 HB3 SER 12 HB3 SER 12 -5.114 -12.060 16.597 96 HG SER 12 HG SER 12 -5.675 -10.203 14.987 97 H ASN 13 H ASN 13 -4.670 -14.223 14.142 98 HA ASN 13 HA ASN 13 -2.864 -12.514 12.772 99 HB2 ASN 13 HB2 ASN 13 -1.747 -14.313 13.720 100 HB3 ASN 13 HB3 ASN 13 -3.074 -15.421 13.426 101 HD21 ASN 13 HD21 ASN 13 -3.160 -16.504 11.605 102 HD22 ASN 13 HD22 ASN 13 -1.896 -16.566 10.403 103 H GLU 14 H GLU 14 -2.369 -12.706 10.476 104 HA GLU 14 HA GLU 14 -4.865 -12.869 9.008 105 HB2 GLU 14 HB2 GLU 14 -3.413 -10.798 8.994 106 HB3 GLU 14 HB3 GLU 14 -2.214 -11.729 8.112 107 HG2 GLU 14 HG2 GLU 14 -3.725 -12.022 6.271 108 HG3 GLU 14 HG3 GLU 14 -5.021 -11.235 7.170 109 H GLY 15 H GLY 15 -5.224 -14.380 7.504 110 HA2 GLY 15 HA2 GLY 15 -3.215 -16.471 7.170 111 HA3 GLY 15 HA3 GLY 15 -4.926 -16.611 6.795 112 H GLU 16 H GLU 16 -5.560 -16.376 4.724 113 HA GLU 16 HA GLU 16 -3.506 -15.469 2.879 114 HB2 GLU 16 HB2 GLU 16 -4.789 -16.778 1.155 115 HB3 GLU 16 HB3 GLU 16 -4.072 -17.747 2.424 116 HG2 GLU 16 HG2 GLU 16 -6.988 -16.950 2.325 117 HG3 GLU 16 HG3 GLU 16 -6.361 -18.476 1.712 118 H THR 17 H THR 17 -3.778 -13.373 2.688 119 HA THR 17 HA THR 17 -6.366 -12.305 1.893 120 HB THR 17 HB THR 17 -5.004 -10.152 2.397 121 HG1 THR 17 HG1 THR 17 -3.371 -10.705 4.095 122 HG21 THR 17 HG21 THR 17 -6.933 -10.943 3.720 123 HG22 THR 17 HG22 THR 17 -5.660 -10.332 4.778 124 HG23 THR 17 HG23 THR 17 -5.880 -12.069 4.577 125 H ASP 18 H ASP 18 -4.075 -13.709 0.278 126 HA ASP 18 HA ASP 18 -2.502 -11.864 -1.092 127 HB2 ASP 18 HB2 ASP 18 -2.106 -13.660 -2.731 128 HB3 ASP 18 HB3 ASP 18 -1.980 -14.235 -1.071 129 H ALA 19 H ALA 19 -5.713 -12.924 -1.751 130 HA ALA 19 HA ALA 19 -6.049 -12.188 -4.397 131 HB1 ALA 19 HB1 ALA 19 -7.703 -13.456 -3.105 132 HB2 ALA 19 HB2 ALA 19 -8.428 -12.095 -3.962 133 HB3 ALA 19 HB3 ALA 19 -8.126 -11.985 -2.228 134 H ASP 20 H ASP 20 -6.044 -10.099 -1.567 135 HA ASP 20 HA ASP 20 -6.069 -7.862 -3.434 136 HB2 ASP 20 HB2 ASP 20 -7.521 -6.511 -2.094 137 HB3 ASP 20 HB3 ASP 20 -8.321 -8.056 -2.295 138 H VAL 21 H VAL 21 -4.049 -9.457 -1.817 139 HA VAL 21 HA VAL 21 -2.558 -7.140 -0.830 140 HB VAL 21 HB VAL 21 -2.949 -9.678 0.818 141 HG11 VAL 21 HG11 VAL 21 -0.658 -8.898 1.003 142 HG12 VAL 21 HG12 VAL 21 -1.527 -8.623 2.515 143 HG13 VAL 21 HG13 VAL 21 -1.223 -7.278 1.413 144 HG21 VAL 21 HG21 VAL 21 -4.826 -8.154 1.003 145 HG22 VAL 21 HG22 VAL 21 -3.740 -6.831 1.438 146 HG23 VAL 21 HG23 VAL 21 -3.929 -8.212 2.524 147 H TYR 22 H TYR 22 -0.721 -7.145 -1.825 148 HA TYR 22 HA TYR 22 0.462 -9.691 -2.701 149 HB2 TYR 22 HB2 TYR 22 0.649 -6.973 -4.006 150 HB3 TYR 22 HB3 TYR 22 1.533 -8.402 -4.538 151 HD1 TYR 22 HD2 TYR 22 -1.775 -6.831 -4.292 152 HD2 TYR 22 HD1 TYR 22 0.420 -10.176 -5.719 153 HE1 TYR 22 HE2 TYR 22 -3.703 -7.502 -5.655 154 HE2 TYR 22 HE1 TYR 22 -1.501 -10.861 -7.085 155 HH TYR 22 HH TYR 22 -4.076 -10.455 -6.961 156 H GLU 23 H GLU 23 2.911 -9.559 -2.974 157 HA GLU 23 HA GLU 23 3.971 -8.817 -0.459 158 HB2 GLU 23 HB2 GLU 23 4.964 -10.192 -2.826 159 HB3 GLU 23 HB3 GLU 23 6.117 -9.317 -1.805 160 HG2 GLU 23 HG2 GLU 23 5.613 -10.593 0.039 161 HG3 GLU 23 HG3 GLU 23 4.228 -11.358 -0.724 162 H VAL 24 H VAL 24 5.337 -7.383 0.117 163 HA VAL 24 HA VAL 24 5.942 -5.215 -1.752 164 HB VAL 24 HB VAL 24 6.000 -5.292 1.275 165 HG11 VAL 24 HG11 VAL 24 6.741 -3.040 -0.591 166 HG12 VAL 24 HG12 VAL 24 7.859 -3.935 0.455 167 HG13 VAL 24 HG13 VAL 24 6.588 -2.923 1.166 168 HG21 VAL 24 HG21 VAL 24 4.339 -3.579 1.094 169 HG22 VAL 24 HG22 VAL 24 3.822 -5.073 0.314 170 HG23 VAL 24 HG23 VAL 24 4.368 -3.701 -0.666 171 H GLU 25 H GLU 25 7.803 -5.501 -2.734 172 HA GLU 25 HA GLU 25 9.899 -6.978 -1.485 173 HB2 GLU 25 HB2 GLU 25 9.382 -6.742 -3.999 174 HB3 GLU 25 HB3 GLU 25 10.160 -5.175 -3.877 175 HG2 GLU 25 HG2 GLU 25 12.236 -6.163 -3.292 176 HG3 GLU 25 HG3 GLU 25 11.488 -7.756 -3.114 177 H ASP 26 H ASP 26 9.501 -3.525 -2.503 178 HA ASP 26 HA ASP 26 10.051 -2.413 -0.039 179 HB2 ASP 26 HB2 ASP 26 12.475 -3.295 -0.809 180 HB3 ASP 26 HB3 ASP 26 12.439 -1.842 -1.805 181 H ILE 27 H ILE 27 10.868 0.071 -0.608 182 HA ILE 27 HA ILE 27 8.812 0.915 -2.530 183 HB ILE 27 HB ILE 27 10.191 2.666 -0.383 184 HG12 ILE 27 HG12 ILE 27 7.946 2.835 0.659 185 HG13 ILE 27 HG13 ILE 27 7.339 1.662 -0.494 186 HG21 ILE 27 HG21 ILE 27 9.637 3.984 -2.282 187 HG22 ILE 27 HG22 ILE 27 8.589 4.373 -0.915 188 HG23 ILE 27 HG23 ILE 27 7.978 3.392 -2.238 189 HD11 ILE 27 HD11 ILE 27 8.831 0.045 0.377 190 HD12 ILE 27 HD12 ILE 27 7.724 0.654 1.635 191 HD13 ILE 27 HD13 ILE 27 9.426 1.187 1.583 192 H LEU 28 H LEU 28 9.295 2.246 -4.089 193 HA LEU 28 HA LEU 28 12.136 2.344 -4.871 194 HB2 LEU 28 HB2 LEU 28 9.678 2.587 -6.580 195 HB3 LEU 28 HB3 LEU 28 11.321 2.684 -7.193 196 HG LEU 28 HG LEU 28 10.009 0.274 -5.925 197 HD11 LEU 28 HD11 LEU 28 10.822 0.825 -8.771 198 HD12 LEU 28 HD12 LEU 28 9.174 0.731 -8.153 199 HD13 LEU 28 HD13 LEU 28 10.197 -0.705 -8.163 200 HD21 LEU 28 HD21 LEU 28 12.049 -0.936 -6.594 201 HD22 LEU 28 HD22 LEU 28 12.383 0.311 -5.397 202 HD23 LEU 28 HD23 LEU 28 12.778 0.590 -7.095 203 H ALA 29 H ALA 29 9.423 4.409 -4.203 204 HA ALA 29 HA ALA 29 11.006 6.706 -3.852 205 HB1 ALA 29 HB1 ALA 29 11.026 6.803 -6.322 206 HB2 ALA 29 HB2 ALA 29 10.087 8.137 -5.651 207 HB3 ALA 29 HB3 ALA 29 9.263 6.739 -6.339 208 H ASP 30 H ASP 30 9.300 8.715 -3.662 209 HA ASP 30 HA ASP 30 6.799 7.631 -2.729 210 HB2 ASP 30 HB2 ASP 30 6.876 8.503 -0.524 211 HB3 ASP 30 HB3 ASP 30 8.366 7.614 -0.768 212 H ARG 31 H ARG 31 5.481 9.386 -1.762 213 HA ARG 31 HA ARG 31 5.653 12.033 -2.792 214 HB2 ARG 31 HB2 ARG 31 3.584 10.126 -3.919 215 HB3 ARG 31 HB3 ARG 31 3.350 11.856 -3.893 216 HG2 ARG 31 HG2 ARG 31 5.393 12.052 -5.342 217 HG3 ARG 31 HG3 ARG 31 5.381 10.291 -5.473 218 HD2 ARG 31 HD2 ARG 31 3.132 12.149 -6.291 219 HD3 ARG 31 HD3 ARG 31 4.240 11.330 -7.383 220 HE ARG 31 HE ARG 31 3.181 9.306 -6.948 221 HH11 ARG 31 HH11 ARG 31 1.575 11.966 -5.182 222 HH12 ARG 31 HH12 ARG 31 0.197 11.044 -4.798 223 HH21 ARG 31 HH21 ARG 31 1.143 8.091 -6.471 224 HH22 ARG 31 HH22 ARG 31 -0.047 8.883 -5.538 225 H VAL 32 H VAL 32 3.380 13.054 -2.290 226 HA VAL 32 HA VAL 32 2.380 11.994 0.221 227 HB VAL 32 HB VAL 32 3.044 14.924 -0.316 228 HG11 VAL 32 HG11 VAL 32 2.547 15.279 2.059 229 HG12 VAL 32 HG12 VAL 32 2.101 13.580 2.215 230 HG13 VAL 32 HG13 VAL 32 1.151 14.648 1.184 231 HG21 VAL 32 HG21 VAL 32 5.115 13.663 -0.015 232 HG22 VAL 32 HG22 VAL 32 4.499 12.979 1.488 233 HG23 VAL 32 HG23 VAL 32 4.824 14.710 1.372 234 H ASN 33 H ASN 33 0.178 12.410 0.485 235 HA ASN 33 HA ASN 33 -1.314 12.808 -1.954 236 HB2 ASN 33 HB2 ASN 33 -2.061 12.248 0.894 237 HB3 ASN 33 HB3 ASN 33 -3.258 12.920 -0.172 238 HD21 ASN 33 HD21 ASN 33 -1.535 10.188 0.801 239 HD22 ASN 33 HD22 ASN 33 -2.401 9.035 -0.143 240 H LYS 34 H LYS 34 -3.247 14.092 -1.664 241 HA LYS 34 HA LYS 34 -2.630 16.818 -0.982 242 HB2 LYS 34 HB2 LYS 34 -4.907 17.076 -2.165 243 HB3 LYS 34 HB3 LYS 34 -3.542 16.548 -3.135 244 HG2 LYS 34 HG2 LYS 34 -4.966 14.238 -2.073 245 HG3 LYS 34 HG3 LYS 34 -6.077 15.306 -2.911 246 HD2 LYS 34 HD2 LYS 34 -5.300 13.753 -4.562 247 HD3 LYS 34 HD3 LYS 34 -4.480 15.265 -4.893 248 HE2 LYS 34 HE2 LYS 34 -2.757 13.711 -5.161 249 HE3 LYS 34 HE3 LYS 34 -2.526 14.194 -3.490 250 HZ1 LYS 34 HZ1 LYS 34 -3.741 12.027 -2.833 251 HZ2 LYS 34 HZ2 LYS 34 -2.336 11.791 -3.657 252 HZ3 LYS 34 HZ3 LYS 34 -3.768 11.643 -4.467 253 H ASN 35 H ASN 35 -4.464 14.075 -0.023 254 HA ASN 35 HA ASN 35 -6.244 15.239 1.833 255 HB2 ASN 35 HB2 ASN 35 -5.237 12.410 1.625 256 HB3 ASN 35 HB3 ASN 35 -6.668 12.938 2.507 257 HD21 ASN 35 HD21 ASN 35 -8.523 13.440 1.352 258 HD22 ASN 35 HD22 ASN 35 -8.695 13.066 -0.322 259 H GLY 36 H GLY 36 -2.877 14.398 2.047 260 HA2 GLY 36 HA2 GLY 36 -1.564 15.168 3.923 261 HA3 GLY 36 HA3 GLY 36 -2.956 14.893 4.960 262 H ILE 37 H ILE 37 -2.324 12.472 2.703 263 HA ILE 37 HA ILE 37 -1.089 10.687 4.701 264 HB ILE 37 HB ILE 37 -2.913 9.949 2.350 265 HG12 ILE 37 HG12 ILE 37 -4.280 8.891 4.334 266 HG13 ILE 37 HG13 ILE 37 -3.339 10.061 5.262 267 HG21 ILE 37 HG21 ILE 37 -1.239 8.251 2.649 268 HG22 ILE 37 HG22 ILE 37 -2.839 7.663 3.121 269 HG23 ILE 37 HG23 ILE 37 -1.661 8.113 4.363 270 HD11 ILE 37 HD11 ILE 37 -4.264 11.872 3.990 271 HD12 ILE 37 HD12 ILE 37 -5.561 10.890 4.690 272 HD13 ILE 37 HD13 ILE 37 -5.138 10.721 2.980 273 H ASN 38 H ASN 38 0.716 9.409 3.890 274 HA ASN 38 HA ASN 38 1.931 10.621 1.573 275 HB2 ASN 38 HB2 ASN 38 2.934 8.378 3.340 276 HB3 ASN 38 HB3 ASN 38 3.842 9.075 2.014 277 HD21 ASN 38 HD21 ASN 38 2.879 9.356 5.274 278 HD22 ASN 38 HD22 ASN 38 3.750 10.801 5.652 279 H GLU 39 H GLU 39 2.860 9.269 -0.205 280 HA GLU 39 HA GLU 39 1.292 6.865 -0.877 281 HB2 GLU 39 HB2 GLU 39 1.806 9.265 -2.707 282 HB3 GLU 39 HB3 GLU 39 1.134 7.737 -3.237 283 HG2 GLU 39 HG2 GLU 39 -0.866 8.145 -1.886 284 HG3 GLU 39 HG3 GLU 39 -0.173 9.657 -1.310 285 H TYR 40 H TYR 40 2.600 5.406 -2.176 286 HA TYR 40 HA TYR 40 5.417 6.261 -2.503 287 HB2 TYR 40 HB2 TYR 40 4.519 3.711 -1.177 288 HB3 TYR 40 HB3 TYR 40 6.181 4.217 -1.447 289 HD1 TYR 40 HD1 TYR 40 3.182 4.677 0.569 290 HD2 TYR 40 HD2 TYR 40 7.144 5.969 -0.131 291 HE1 TYR 40 HE1 TYR 40 3.164 5.870 2.722 292 HE2 TYR 40 HE2 TYR 40 7.156 7.134 2.001 293 HH TYR 40 HH TYR 40 4.674 6.829 4.394 294 H TYR 41 H TYR 41 6.532 5.180 -4.056 295 HA TYR 41 HA TYR 41 5.042 3.638 -5.985 296 HB2 TYR 41 HB2 TYR 41 6.810 5.425 -6.534 297 HB3 TYR 41 HB3 TYR 41 8.009 4.269 -5.984 298 HD1 TYR 41 HD2 TYR 41 4.976 3.507 -8.010 299 HD2 TYR 41 HD1 TYR 41 9.209 3.938 -7.988 300 HE1 TYR 41 HE2 TYR 41 5.079 2.587 -10.272 301 HE2 TYR 41 HE1 TYR 41 9.317 3.011 -10.255 302 HH TYR 41 HH TYR 41 6.491 2.496 -12.164 303 H ILE 42 H ILE 42 4.655 1.582 -5.371 304 HA ILE 42 HA ILE 42 6.578 0.249 -3.608 305 HB ILE 42 HB ILE 42 3.746 -0.563 -4.313 306 HG12 ILE 42 HG12 ILE 42 3.766 1.543 -3.082 307 HG13 ILE 42 HG13 ILE 42 3.146 0.252 -2.063 308 HG21 ILE 42 HG21 ILE 42 3.913 -2.080 -2.391 309 HG22 ILE 42 HG22 ILE 42 5.593 -1.599 -2.154 310 HG23 ILE 42 HG23 ILE 42 5.123 -2.462 -3.618 311 HD11 ILE 42 HD11 ILE 42 4.591 1.652 -0.775 312 HD12 ILE 42 HD12 ILE 42 5.867 1.508 -1.981 313 HD13 ILE 42 HD13 ILE 42 5.400 0.098 -1.023 314 H LYS 43 H LYS 43 7.775 -1.445 -4.238 315 HA LYS 43 HA LYS 43 7.271 -2.526 -6.866 316 HB2 LYS 43 HB2 LYS 43 9.619 -1.896 -6.363 317 HB3 LYS 43 HB3 LYS 43 9.632 -3.067 -5.046 318 HG2 LYS 43 HG2 LYS 43 9.346 -4.890 -6.551 319 HG3 LYS 43 HG3 LYS 43 9.062 -3.802 -7.903 320 HD2 LYS 43 HD2 LYS 43 11.393 -2.987 -7.651 321 HD3 LYS 43 HD3 LYS 43 11.638 -4.210 -6.398 322 HE2 LYS 43 HE2 LYS 43 10.863 -4.742 -9.271 323 HE3 LYS 43 HE3 LYS 43 12.449 -5.018 -8.553 324 HZ1 LYS 43 HZ1 LYS 43 9.939 -6.413 -7.741 325 HZ2 LYS 43 HZ2 LYS 43 11.452 -6.606 -7.050 326 HZ3 LYS 43 HZ3 LYS 43 11.211 -7.102 -8.628 327 H TRP 44 H TRP 44 5.756 -3.993 -6.872 328 HA TRP 44 HA TRP 44 5.290 -5.647 -4.612 329 HB2 TRP 44 HB2 TRP 44 3.975 -5.787 -7.343 330 HB3 TRP 44 HB3 TRP 44 3.458 -6.549 -5.856 331 HD1 TRP 44 HD1 TRP 44 3.306 -3.273 -7.689 332 HE1 TRP 44 HE1 TRP 44 1.844 -1.651 -6.343 333 HE3 TRP 44 HE3 TRP 44 2.850 -5.970 -3.399 334 HZ2 TRP 44 HZ2 TRP 44 0.666 -1.543 -3.835 335 HZ3 TRP 44 HZ3 TRP 44 1.538 -5.029 -1.559 336 HH2 TRP 44 HH2 TRP 44 0.466 -2.853 -1.769 337 H ALA 45 H ALA 45 6.095 -7.482 -4.254 338 HA ALA 45 HA ALA 45 7.560 -8.869 -6.363 339 HB1 ALA 45 HB1 ALA 45 7.223 -9.560 -3.442 340 HB2 ALA 45 HB2 ALA 45 8.630 -8.759 -4.144 341 HB3 ALA 45 HB3 ALA 45 8.251 -10.428 -4.579 342 H GLY 46 H GLY 46 6.978 -11.085 -6.850 343 HA2 GLY 46 HA2 GLY 46 5.466 -12.894 -6.838 344 HA3 GLY 46 HA3 GLY 46 4.305 -11.879 -5.991 345 H TYR 47 H TYR 47 4.840 -9.635 -7.961 346 HA TYR 47 HA TYR 47 3.199 -10.791 -10.085 347 HB2 TYR 47 HB2 TYR 47 2.539 -8.545 -8.664 348 HB3 TYR 47 HB3 TYR 47 3.426 -7.831 -10.025 349 HD1 TYR 47 HD2 TYR 47 1.297 -10.622 -9.923 350 HD2 TYR 47 HD1 TYR 47 1.897 -6.920 -11.411 351 HE1 TYR 47 HE2 TYR 47 -0.758 -10.949 -11.375 352 HE2 TYR 47 HE1 TYR 47 -0.049 -7.089 -12.901 353 HH TYR 47 HH TYR 47 -1.388 -8.908 -13.971 354 H ASP 48 H ASP 48 3.416 -9.360 -11.979 355 HA ASP 48 HA ASP 48 5.931 -9.855 -13.222 356 HB2 ASP 48 HB2 ASP 48 3.805 -9.509 -14.484 357 HB3 ASP 48 HB3 ASP 48 3.895 -7.790 -14.087 358 H TRP 49 H TRP 49 7.569 -8.491 -13.828 359 HA TRP 49 HA TRP 49 8.489 -6.849 -11.725 360 HB2 TRP 49 HB2 TRP 49 9.646 -7.346 -14.461 361 HB3 TRP 49 HB3 TRP 49 10.474 -6.471 -13.175 362 HD1 TRP 49 HD1 TRP 49 9.133 -10.002 -13.970 363 HE1 TRP 49 HE1 TRP 49 10.449 -11.705 -12.567 364 HE3 TRP 49 HE3 TRP 49 11.919 -6.759 -11.161 365 HZ2 TRP 49 HZ2 TRP 49 12.419 -11.682 -10.533 366 HZ3 TRP 49 HZ3 TRP 49 13.494 -7.681 -9.511 367 HH2 TRP 49 HH2 TRP 49 13.737 -10.089 -9.205 368 H TYR 50 H TYR 50 6.714 -6.049 -14.578 369 HA TYR 50 HA TYR 50 7.387 -3.240 -14.164 370 HB2 TYR 50 HB2 TYR 50 6.226 -2.738 -16.351 371 HB3 TYR 50 HB3 TYR 50 7.657 -3.733 -16.490 372 HD1 TYR 50 HD2 TYR 50 3.931 -4.129 -16.182 373 HD2 TYR 50 HD1 TYR 50 7.552 -5.526 -17.936 374 HE1 TYR 50 HE2 TYR 50 2.655 -5.757 -17.510 375 HE2 TYR 50 HE1 TYR 50 6.282 -7.152 -19.270 376 HH TYR 50 HH TYR 50 4.110 -8.317 -19.018 377 H ASP 51 H ASP 51 5.598 -4.758 -12.367 378 HA ASP 51 HA ASP 51 2.959 -3.725 -12.950 379 HB2 ASP 51 HB2 ASP 51 2.169 -5.128 -11.412 380 HB3 ASP 51 HB3 ASP 51 3.573 -6.086 -11.912 381 H ASN 52 H ASN 52 5.617 -2.765 -11.201 382 HA ASN 52 HA ASN 52 4.933 -1.805 -8.728 383 HB2 ASN 52 HB2 ASN 52 6.566 -0.095 -10.591 384 HB3 ASN 52 HB3 ASN 52 6.757 -0.315 -8.861 385 HD21 ASN 52 HD21 ASN 52 7.354 -1.588 -11.986 386 HD22 ASN 52 HD22 ASN 52 8.443 -2.847 -11.534 387 H THR 53 H THR 53 3.818 -0.098 -7.932 388 HA THR 53 HA THR 53 2.918 2.030 -9.642 389 HB THR 53 HB THR 53 1.221 0.298 -10.106 390 HG1 THR 53 HG1 THR 53 -0.474 1.739 -8.626 391 HG21 THR 53 HG21 THR 53 -0.287 -0.512 -8.323 392 HG22 THR 53 HG22 THR 53 0.698 0.327 -7.123 393 HG23 THR 53 HG23 THR 53 1.382 -1.010 -8.047 394 H TRP 54 H TRP 54 1.320 3.391 -8.241 395 HA TRP 54 HA TRP 54 2.743 3.929 -5.758 396 HB2 TRP 54 HB2 TRP 54 0.701 5.622 -7.224 397 HB3 TRP 54 HB3 TRP 54 1.627 6.115 -5.811 398 HD1 TRP 54 HD1 TRP 54 2.038 5.398 -9.551 399 HE1 TRP 54 HE1 TRP 54 4.196 6.463 -10.377 400 HE3 TRP 54 HE3 TRP 54 3.930 6.995 -5.049 401 HZ2 TRP 54 HZ2 TRP 54 6.431 7.831 -9.284 402 HZ3 TRP 54 HZ3 TRP 54 6.076 8.168 -5.047 403 HH2 TRP 54 HH2 TRP 54 7.304 8.579 -7.113 404 H GLU 55 H GLU 55 1.801 3.865 -3.827 405 HA GLU 55 HA GLU 55 -1.016 2.973 -3.559 406 HB2 GLU 55 HB2 GLU 55 1.524 2.040 -2.275 407 HB3 GLU 55 HB3 GLU 55 -0.027 1.829 -1.494 408 HG2 GLU 55 HG2 GLU 55 0.609 0.782 -4.218 409 HG3 GLU 55 HG3 GLU 55 0.882 -0.085 -2.692 410 HA PRO 56 HA PRO 56 -0.737 6.156 -0.389 411 HB2 PRO 56 HB2 PRO 56 -2.991 5.609 1.006 412 HB3 PRO 56 HB3 PRO 56 -3.076 6.353 -0.605 413 HG2 PRO 56 HG2 PRO 56 -3.587 3.543 0.184 414 HG3 PRO 56 HG3 PRO 56 -4.385 4.537 -1.051 415 HD2 PRO 56 HD2 PRO 56 -2.444 2.645 -1.581 416 HD3 PRO 56 HD3 PRO 56 -2.865 3.999 -2.647 417 H GLU 57 H GLU 57 -0.312 6.225 1.888 418 HA GLU 57 HA GLU 57 1.225 4.136 2.865 419 HB2 GLU 57 HB2 GLU 57 1.433 6.555 3.433 420 HB3 GLU 57 HB3 GLU 57 -0.030 6.430 4.367 421 HG2 GLU 57 HG2 GLU 57 0.981 5.345 6.098 422 HG3 GLU 57 HG3 GLU 57 2.254 4.664 5.086 423 H GLN 58 H GLN 58 -2.122 4.731 3.214 424 HA GLN 58 HA GLN 58 -2.755 3.222 5.492 425 HB2 GLN 58 HB2 GLN 58 -4.516 3.614 3.070 426 HB3 GLN 58 HB3 GLN 58 -5.042 3.188 4.689 427 HG2 GLN 58 HG2 GLN 58 -3.845 5.804 3.798 428 HG3 GLN 58 HG3 GLN 58 -5.512 5.505 4.273 429 HE21 GLN 58 HE21 GLN 58 -5.986 5.229 6.486 430 HE22 GLN 58 HE22 GLN 58 -4.847 5.721 7.692 431 H ASN 59 H ASN 59 -2.087 2.136 2.176 432 HA ASN 59 HA ASN 59 -3.202 -0.473 2.763 433 HB2 ASN 59 HB2 ASN 59 -2.071 0.707 0.241 434 HB3 ASN 59 HB3 ASN 59 -2.291 -1.023 0.388 435 HD21 ASN 59 HD21 ASN 59 -4.491 1.420 1.711 436 HD22 ASN 59 HD22 ASN 59 -5.776 1.033 0.587 437 H LEU 60 H LEU 60 -0.352 1.039 3.342 438 HA LEU 60 HA LEU 60 1.414 -1.276 2.977 439 HB2 LEU 60 HB2 LEU 60 1.847 1.608 3.683 440 HB3 LEU 60 HB3 LEU 60 3.076 0.406 3.998 441 HG LEU 60 HG LEU 60 3.562 1.645 1.962 442 HD11 LEU 60 HD11 LEU 60 4.349 -0.596 2.075 443 HD12 LEU 60 HD12 LEU 60 3.873 -0.206 0.423 444 HD13 LEU 60 HD13 LEU 60 2.827 -1.206 1.424 445 HD21 LEU 60 HD21 LEU 60 2.178 1.421 -0.043 446 HD22 LEU 60 HD22 LEU 60 1.309 2.232 1.259 447 HD23 LEU 60 HD23 LEU 60 0.969 0.541 0.891 448 H PHE 61 H PHE 61 -0.794 -1.010 4.970 449 HA PHE 61 HA PHE 61 0.032 -0.664 7.576 450 HB2 PHE 61 HB2 PHE 61 -1.930 -1.911 8.244 451 HB3 PHE 61 HB3 PHE 61 -2.312 -1.082 6.739 452 HD1 PHE 61 HD1 PHE 61 -2.245 -2.409 4.570 453 HD2 PHE 61 HD2 PHE 61 -2.205 -4.234 8.417 454 HE1 PHE 61 HE1 PHE 61 -2.963 -4.534 3.570 455 HE2 PHE 61 HE2 PHE 61 -2.923 -6.363 7.416 456 HZ PHE 61 HZ PHE 61 -3.305 -6.514 4.990 457 H GLY 62 H GLY 62 0.610 -3.467 5.535 458 HA2 GLY 62 HA2 GLY 62 1.693 -4.977 7.778 459 HA3 GLY 62 HA3 GLY 62 1.496 -5.565 6.130 460 H ALA 63 H ALA 63 2.761 -2.998 5.178 461 HA ALA 63 HA ALA 63 5.497 -3.981 5.429 462 HB1 ALA 63 HB1 ALA 63 5.908 -2.847 3.322 463 HB2 ALA 63 HB2 ALA 63 4.236 -2.267 3.319 464 HB3 ALA 63 HB3 ALA 63 4.574 -3.994 3.200 465 H GLU 64 H GLU 64 4.153 -2.218 7.342 466 HA GLU 64 HA GLU 64 4.984 0.414 7.055 467 HB2 GLU 64 HB2 GLU 64 3.275 -0.240 8.658 468 HB3 GLU 64 HB3 GLU 64 4.450 -1.161 9.580 469 HG2 GLU 64 HG2 GLU 64 3.952 0.939 10.681 470 HG3 GLU 64 HG3 GLU 64 5.628 0.899 10.151 471 H LYS 65 H LYS 65 6.667 -2.321 8.336 472 HA LYS 65 HA LYS 65 8.830 -1.044 9.628 473 HB2 LYS 65 HB2 LYS 65 9.238 -3.599 8.065 474 HB3 LYS 65 HB3 LYS 65 10.072 -3.079 9.506 475 HG2 LYS 65 HG2 LYS 65 8.753 -4.720 10.397 476 HG3 LYS 65 HG3 LYS 65 7.639 -3.361 10.564 477 HD2 LYS 65 HD2 LYS 65 6.467 -4.002 8.544 478 HD3 LYS 65 HD3 LYS 65 7.679 -5.224 8.185 479 HE2 LYS 65 HE2 LYS 65 7.006 -6.393 10.296 480 HE3 LYS 65 HE3 LYS 65 5.688 -5.230 10.451 481 HZ1 LYS 65 HZ1 LYS 65 4.926 -7.279 9.359 482 HZ2 LYS 65 HZ2 LYS 65 6.106 -7.081 8.160 483 HZ3 LYS 65 HZ3 LYS 65 4.855 -5.980 8.270 484 H VAL 66 H VAL 66 8.477 -2.182 6.349 485 HA VAL 66 HA VAL 66 11.004 -1.349 5.388 486 HB VAL 66 HB VAL 66 8.473 -2.281 4.006 487 HG11 VAL 66 HG11 VAL 66 11.180 -1.783 2.779 488 HG12 VAL 66 HG12 VAL 66 9.721 -0.839 2.474 489 HG13 VAL 66 HG13 VAL 66 9.796 -2.534 1.988 490 HG21 VAL 66 HG21 VAL 66 9.648 -3.924 5.358 491 HG22 VAL 66 HG22 VAL 66 11.135 -3.601 4.468 492 HG23 VAL 66 HG23 VAL 66 9.749 -4.311 3.642 493 H LEU 67 H LEU 67 7.767 0.037 5.340 494 HA LEU 67 HA LEU 67 8.276 2.178 3.596 495 HB2 LEU 67 HB2 LEU 67 6.042 1.230 4.362 496 HB3 LEU 67 HB3 LEU 67 6.283 2.089 5.862 497 HG LEU 67 HG LEU 67 5.996 3.390 3.144 498 HD11 LEU 67 HD11 LEU 67 3.826 4.065 3.930 499 HD12 LEU 67 HD12 LEU 67 4.075 3.186 5.442 500 HD13 LEU 67 HD13 LEU 67 3.963 2.308 3.913 501 HD21 LEU 67 HD21 LEU 67 5.912 4.654 5.872 502 HD22 LEU 67 HD22 LEU 67 5.872 5.485 4.304 503 HD23 LEU 67 HD23 LEU 67 7.329 4.667 4.833 504 H LYS 68 H LYS 68 8.022 2.135 7.189 505 HA LYS 68 HA LYS 68 8.995 4.625 7.596 506 HB2 LYS 68 HB2 LYS 68 9.139 2.180 9.332 507 HB3 LYS 68 HB3 LYS 68 9.576 3.789 9.883 508 HG2 LYS 68 HG2 LYS 68 6.839 2.994 8.860 509 HG3 LYS 68 HG3 LYS 68 7.284 3.121 10.558 510 HD2 LYS 68 HD2 LYS 68 6.464 5.236 10.367 511 HD3 LYS 68 HD3 LYS 68 8.061 5.504 9.650 512 HE2 LYS 68 HE2 LYS 68 6.404 6.597 8.266 513 HE3 LYS 68 HE3 LYS 68 7.072 5.231 7.394 514 HZ1 LYS 68 HZ1 LYS 68 4.560 5.479 7.197 515 HZ2 LYS 68 HZ2 LYS 68 4.450 5.019 8.840 516 HZ3 LYS 68 HZ3 LYS 68 5.060 3.985 7.773 517 H LYS 69 H LYS 69 10.840 1.666 7.048 518 HA LYS 69 HA LYS 69 13.445 2.568 7.604 519 HB2 LYS 69 HB2 LYS 69 12.930 0.268 6.769 520 HB3 LYS 69 HB3 LYS 69 12.570 0.942 5.187 521 HG2 LYS 69 HG2 LYS 69 14.970 1.873 5.276 522 HG3 LYS 69 HG3 LYS 69 15.214 0.718 6.576 523 HD2 LYS 69 HD2 LYS 69 15.982 -0.398 4.650 524 HD3 LYS 69 HD3 LYS 69 14.372 -1.058 4.917 525 HE2 LYS 69 HE2 LYS 69 14.792 1.269 3.040 526 HE3 LYS 69 HE3 LYS 69 15.103 -0.370 2.502 527 HZ1 LYS 69 HZ1 LYS 69 12.846 -0.934 2.874 528 HZ2 LYS 69 HZ2 LYS 69 12.924 0.284 1.856 529 HZ3 LYS 69 HZ3 LYS 69 12.392 0.601 3.448 530 H TRP 70 H TRP 70 11.511 2.863 4.644 531 HA TRP 70 HA TRP 70 13.318 4.340 3.117 532 HB2 TRP 70 HB2 TRP 70 11.488 3.255 1.993 533 HB3 TRP 70 HB3 TRP 70 10.301 4.093 2.988 534 HD1 TRP 70 HD1 TRP 70 9.687 6.573 2.348 535 HE1 TRP 70 HE1 TRP 70 10.131 8.023 0.321 536 HE3 TRP 70 HE3 TRP 70 13.185 3.638 0.057 537 HZ2 TRP 70 HZ2 TRP 70 11.731 7.931 -2.021 538 HZ3 TRP 70 HZ3 TRP 70 14.117 4.394 -2.094 539 HH2 TRP 70 HH2 TRP 70 13.403 6.494 -3.108 540 H LYS 71 H LYS 71 10.474 5.453 4.926 541 HA LYS 71 HA LYS 71 11.004 8.164 4.484 542 HB2 LYS 71 HB2 LYS 71 9.176 6.761 6.371 543 HB3 LYS 71 HB3 LYS 71 9.402 8.524 6.471 544 HG2 LYS 71 HG2 LYS 71 8.613 7.130 3.943 545 HG3 LYS 71 HG3 LYS 71 7.433 7.650 5.140 546 HD2 LYS 71 HD2 LYS 71 8.081 9.951 4.903 547 HD3 LYS 71 HD3 LYS 71 9.464 9.517 3.899 548 HE2 LYS 71 HE2 LYS 71 8.074 8.812 2.138 549 HE3 LYS 71 HE3 LYS 71 6.619 8.915 3.135 550 HZ1 LYS 71 HZ1 LYS 71 6.627 11.245 2.931 551 HZ2 LYS 71 HZ2 LYS 71 7.288 10.785 1.401 552 HZ3 LYS 71 HZ3 LYS 71 8.282 11.301 2.608 553 H LYS 72 H LYS 72 12.312 6.101 6.881 554 HA LYS 72 HA LYS 72 13.332 8.189 8.477 555 HB2 LYS 72 HB2 LYS 72 14.178 5.340 8.163 556 HB3 LYS 72 HB3 LYS 72 15.079 6.469 9.172 557 HG2 LYS 72 HG2 LYS 72 13.024 6.938 10.448 558 HG3 LYS 72 HG3 LYS 72 12.176 5.737 9.476 559 HD2 LYS 72 HD2 LYS 72 14.608 5.212 11.096 560 HD3 LYS 72 HD3 LYS 72 12.964 4.948 11.708 561 HE2 LYS 72 HE2 LYS 72 12.611 3.353 9.792 562 HE3 LYS 72 HE3 LYS 72 14.309 3.563 9.367 563 HZ1 LYS 72 HZ1 LYS 72 14.923 2.647 11.522 564 HZ2 LYS 72 HZ2 LYS 72 13.951 1.558 10.663 565 HZ3 LYS 72 HZ3 LYS 72 13.290 2.459 11.925 566 H ARG 73 H ARG 73 14.633 6.472 5.647 567 HA ARG 73 HA ARG 73 16.998 8.158 5.690 568 HB2 ARG 73 HB2 ARG 73 16.043 6.173 3.635 569 HB3 ARG 73 HB3 ARG 73 17.563 7.042 3.544 570 HG2 ARG 73 HG2 ARG 73 16.803 5.142 5.763 571 HG3 ARG 73 HG3 ARG 73 17.784 4.712 4.367 572 HD2 ARG 73 HD2 ARG 73 19.250 5.140 6.228 573 HD3 ARG 73 HD3 ARG 73 19.438 6.446 5.067 574 HE ARG 73 HE ARG 73 17.524 7.072 7.061 575 HH11 ARG 73 HH11 ARG 73 21.009 6.929 6.504 576 HH12 ARG 73 HH12 ARG 73 21.431 8.083 7.678 577 HH21 ARG 73 HH21 ARG 73 18.062 8.691 8.700 578 HH22 ARG 73 HH22 ARG 73 19.683 9.121 8.980 579 H LYS 74 H LYS 74 13.888 8.253 4.129 580 HA LYS 74 HA LYS 74 14.622 10.752 2.789 581 HB2 LYS 74 HB2 LYS 74 14.662 9.245 0.987 582 HB3 LYS 74 HB3 LYS 74 13.340 8.295 1.629 583 HG2 LYS 74 HG2 LYS 74 12.679 9.481 -0.395 584 HG3 LYS 74 HG3 LYS 74 11.755 10.035 0.990 585 HD2 LYS 74 HD2 LYS 74 13.189 12.031 1.123 586 HD3 LYS 74 HD3 LYS 74 14.096 11.463 -0.282 587 HE2 LYS 74 HE2 LYS 74 12.396 13.147 -0.904 588 HE3 LYS 74 HE3 LYS 74 12.095 11.591 -1.666 589 HZ1 LYS 74 HZ1 LYS 74 10.361 11.142 -0.039 590 HZ2 LYS 74 HZ2 LYS 74 10.034 12.605 -0.761 591 HZ3 LYS 74 HZ3 LYS 74 10.696 12.581 0.783 592 H LYS 75 H LYS 75 13.343 12.350 3.258 593 HA LYS 75 HA LYS 75 10.890 11.793 4.672 594 HB2 LYS 75 HB2 LYS 75 12.446 14.369 4.260 595 HB3 LYS 75 HB3 LYS 75 10.914 14.275 5.115 596 HG2 LYS 75 HG2 LYS 75 12.581 14.293 6.798 597 HG3 LYS 75 HG3 LYS 75 12.018 12.622 6.645 598 HD2 LYS 75 HD2 LYS 75 13.991 12.223 5.129 599 HD3 LYS 75 HD3 LYS 75 14.601 13.794 5.657 600 HE2 LYS 75 HE2 LYS 75 15.553 11.955 6.963 601 HE3 LYS 75 HE3 LYS 75 14.582 13.037 7.965 602 HZ1 LYS 75 HZ1 LYS 75 13.568 10.485 6.818 603 HZ2 LYS 75 HZ2 LYS 75 12.771 11.450 7.915 604 HZ3 LYS 75 HZ3 LYS 75 14.184 10.627 8.368 605 H1 ALA 1 H1 ALA 1 9.661 -19.937 8.130 606 H2 ALA 1 H2 ALA 1 9.269 -20.785 6.750 607 H3 ALA 1 H3 ALA 1 8.680 -21.325 8.272 608 HA ALA 1 HA ALA 1 6.971 -20.157 6.989 609 HB1 ALA 1 HB1 ALA 1 8.051 -18.552 9.322 610 HB2 ALA 1 HB2 ALA 1 6.935 -19.912 9.437 611 HB3 ALA 1 HB3 ALA 1 6.423 -18.417 8.655 612 H ARG 2 H ARG 2 6.339 -17.919 6.175 613 HA ARG 2 HA ARG 2 8.701 -16.752 4.947 614 HB2 ARG 2 HB2 ARG 2 7.015 -15.599 3.416 615 HB3 ARG 2 HB3 ARG 2 7.232 -17.325 3.206 616 HG2 ARG 2 HG2 ARG 2 5.125 -17.821 4.014 617 HG3 ARG 2 HG3 ARG 2 5.018 -16.325 4.946 618 HD2 ARG 2 HD2 ARG 2 3.561 -16.437 2.886 619 HD3 ARG 2 HD3 ARG 2 4.617 -15.034 3.006 620 HE ARG 2 HE ARG 2 5.488 -17.339 1.427 621 HH11 ARG 2 HH11 ARG 2 4.257 -13.981 1.481 622 HH12 ARG 2 HH12 ARG 2 4.898 -13.671 -0.093 623 HH21 ARG 2 HH21 ARG 2 6.310 -16.697 -0.816 624 HH22 ARG 2 HH22 ARG 2 5.971 -15.078 -1.277 625 H THR 3 H THR 3 9.469 -15.328 6.359 626 HA THR 3 HA THR 3 7.654 -13.396 7.502 627 HB THR 3 HB THR 3 10.651 -13.679 7.888 628 HG1 THR 3 HG1 THR 3 9.299 -14.587 9.977 629 HG21 THR 3 HG21 THR 3 9.658 -11.535 8.624 630 HG22 THR 3 HG22 THR 3 10.209 -12.491 10.000 631 HG23 THR 3 HG23 THR 3 8.491 -12.419 9.608 632 H LYS 4 H LYS 4 7.122 -12.213 5.622 633 HA LYS 4 HA LYS 4 9.215 -10.452 4.703 634 HB2 LYS 4 HB2 LYS 4 9.203 -12.429 3.144 635 HB3 LYS 4 HB3 LYS 4 7.535 -12.052 2.750 636 HG2 LYS 4 HG2 LYS 4 8.188 -9.969 1.733 637 HG3 LYS 4 HG3 LYS 4 9.852 -10.178 2.277 638 HD2 LYS 4 HD2 LYS 4 9.988 -12.242 0.877 639 HD3 LYS 4 HD3 LYS 4 8.347 -11.879 0.315 640 HE2 LYS 4 HE2 LYS 4 10.619 -9.931 -0.001 641 HE3 LYS 4 HE3 LYS 4 10.235 -11.149 -1.215 642 HZ1 LYS 4 HZ1 LYS 4 8.053 -10.302 -1.350 643 HZ2 LYS 4 HZ2 LYS 4 9.163 -9.097 -1.768 644 HZ3 LYS 4 HZ3 LYS 4 8.357 -9.023 -0.267 645 H GLN 5 H GLN 5 8.277 -8.691 3.428 646 HA GLN 5 HA GLN 5 5.896 -7.737 4.726 647 HB2 GLN 5 HB2 GLN 5 8.162 -6.603 3.302 648 HB3 GLN 5 HB3 GLN 5 6.626 -5.792 3.042 649 HG2 GLN 5 HG2 GLN 5 7.791 -4.787 4.832 650 HG3 GLN 5 HG3 GLN 5 6.286 -5.607 5.272 651 HE21 GLN 5 HE21 GLN 5 9.787 -5.994 5.431 652 HE22 GLN 5 HE22 GLN 5 9.788 -7.073 6.772 653 H THR 6 H THR 6 3.995 -7.189 3.777 654 HA THR 6 HA THR 6 3.786 -7.283 0.922 655 HB THR 6 HB THR 6 1.858 -8.620 0.936 656 HG1 THR 6 HG1 THR 6 0.690 -8.952 2.857 657 HG21 THR 6 HG21 THR 6 3.845 -10.049 1.002 658 HG22 THR 6 HG22 THR 6 2.537 -10.835 1.877 659 HG23 THR 6 HG23 THR 6 3.823 -10.024 2.761 660 H ALA 7 H ALA 7 1.664 -6.191 0.301 661 HA ALA 7 HA ALA 7 0.366 -4.618 2.334 662 HB1 ALA 7 HB1 ALA 7 0.648 -2.505 1.081 663 HB2 ALA 7 HB2 ALA 7 1.751 -3.327 -0.031 664 HB3 ALA 7 HB3 ALA 7 2.188 -3.138 1.664 665 H ARG 8 H ARG 8 -1.414 -3.314 1.049 666 HA ARG 8 HA ARG 8 -2.971 -5.381 -0.014 667 HB2 ARG 8 HB2 ARG 8 -3.544 -2.462 -0.154 668 HB3 ARG 8 HB3 ARG 8 -4.658 -3.742 -0.551 669 HG2 ARG 8 HG2 ARG 8 -4.200 -4.547 1.891 670 HG3 ARG 8 HG3 ARG 8 -3.660 -2.862 2.096 671 HD2 ARG 8 HD2 ARG 8 -6.041 -3.123 2.613 672 HD3 ARG 8 HD3 ARG 8 -5.750 -2.035 1.251 673 HE ARG 8 HE ARG 8 -6.777 -4.804 1.053 674 HH11 ARG 8 HH11 ARG 8 -6.109 -1.710 -0.623 675 HH12 ARG 8 HH12 ARG 8 -7.192 -2.046 -1.883 676 HH21 ARG 8 HH21 ARG 8 -8.100 -5.232 -0.578 677 HH22 ARG 8 HH22 ARG 8 -8.418 -4.185 -1.905 678 H M3L 9 H M3L 9 -2.031 -2.404 -1.833 679 HA M3L 9 HA M3L 9 -1.768 -2.001 -3.974 680 HB2 M3L 9 1HB M3L 9 -0.933 -4.235 -4.539 681 HB3 M3L 9 2HB M3L 9 -2.588 -4.808 -4.687 682 HG2 M3L 9 1HG M3L 9 -1.716 -2.475 -6.317 683 HG3 M3L 9 2HG M3L 9 -2.963 -3.677 -6.649 684 HD2 M3L 9 1HD M3L 9 -0.501 -3.638 -7.771 685 HD3 M3L 9 2HD M3L 9 -0.235 -4.741 -6.430 686 HE2 M3L 9 1HE M3L 9 -2.472 -5.011 -8.434 687 HE3 M3L 9 2HE M3L 9 -2.150 -6.085 -7.112 688 HM11 M3L 9 1HM1 M3L 9 -0.619 -7.993 -10.053 689 HM12 M3L 9 2HM1 M3L 9 -1.690 -8.142 -8.660 690 HM13 M3L 9 3HM1 M3L 9 -2.159 -7.152 -9.990 691 HM21 M3L 9 1HM2 M3L 9 0.984 -7.591 -8.231 692 HM22 M3L 9 2HM2 M3L 9 0.256 -6.839 -6.810 693 HM23 M3L 9 3HM2 M3L 9 1.327 -5.969 -7.864 694 HM31 M3L 9 3HM3 M3L 9 1.002 -5.357 -9.789 695 HM32 M3L 9 1HM3 M3L 9 -0.423 -5.485 -10.791 696 HM33 M3L 9 2HM3 M3L 9 -0.282 -4.232 -9.585 697 H SER 10 H SER 10 -3.247 -0.530 -3.818 698 HA SER 10 HA SER 10 -5.998 -1.073 -3.488 699 HB2 SER 10 HB2 SER 10 -4.865 0.932 -2.574 700 HB3 SER 10 HB3 SER 10 -4.608 1.520 -4.214 701 HG SER 10 HG SER 10 -6.647 1.950 -4.424 702 H THR 11 H THR 11 -6.608 -2.311 -5.331 703 HA THR 11 HA THR 11 -6.826 -0.813 -7.805 704 HB THR 11 HB THR 11 -6.364 -3.136 -8.946 705 HG1 THR 11 HG1 THR 11 -5.236 -3.448 -6.372 706 HG21 THR 11 HG21 THR 11 -3.973 -2.578 -9.179 707 HG22 THR 11 HG22 THR 11 -4.111 -1.455 -7.827 708 HG23 THR 11 HG23 THR 11 -4.987 -1.141 -9.324 709 H GLY 12 H GLY 12 -8.534 -1.588 -9.223 710 HA2 GLY 12 HA2 GLY 12 -10.323 -3.199 -9.572 711 HA3 GLY 12 HA3 GLY 12 -10.523 -3.234 -7.821 712 H GLY 13 H GLY 13 -12.576 -2.474 -7.676 713 HA2 GLY 13 HA2 GLY 13 -13.937 -0.635 -7.175 714 HA3 GLY 13 HA3 GLY 13 -12.844 0.389 -8.089 715 H LYS 14 H LYS 14 -13.871 -2.469 -9.648 716 HA LYS 14 HA LYS 14 -15.479 -0.825 -11.431 717 HB2 LYS 14 HB2 LYS 14 -14.493 -3.663 -11.791 718 HB3 LYS 14 HB3 LYS 14 -15.462 -2.777 -12.956 719 HG2 LYS 14 HG2 LYS 14 -13.656 -1.150 -13.228 720 HG3 LYS 14 HG3 LYS 14 -12.685 -2.030 -12.046 721 HD2 LYS 14 HD2 LYS 14 -11.990 -2.619 -14.311 722 HD3 LYS 14 HD3 LYS 14 -12.724 -4.012 -13.519 723 HE2 LYS 14 HE2 LYS 14 -14.826 -3.586 -14.717 724 HE3 LYS 14 HE3 LYS 14 -14.101 -2.176 -15.491 725 HZ1 LYS 14 HZ1 LYS 14 -14.088 -4.098 -16.941 726 HZ2 LYS 14 HZ2 LYS 14 -13.212 -4.993 -15.809 727 HZ3 LYS 14 HZ3 LYS 14 -12.502 -3.651 -16.557 728 H ALA 15 H ALA 15 -17.194 -0.596 -9.958 729 HA ALA 15 HA ALA 15 -19.181 -2.634 -10.283 730 HB1 ALA 15 HB1 ALA 15 -19.672 -2.823 -7.871 731 HB2 ALA 15 HB2 ALA 15 -18.255 -1.836 -7.511 732 HB3 ALA 15 HB3 ALA 15 -18.057 -3.425 -8.251 733 HA PRO 16 HA PRO 16 -21.382 1.295 -10.367 734 HB2 PRO 16 HB2 PRO 16 -23.846 -0.310 -10.233 735 HB3 PRO 16 HB3 PRO 16 -23.279 0.732 -11.553 736 HG2 PRO 16 HG2 PRO 16 -23.341 -1.923 -11.805 737 HG3 PRO 16 HG3 PRO 16 -22.091 -0.921 -12.567 738 HD2 PRO 16 HD2 PRO 16 -21.902 -2.592 -10.102 739 HD3 PRO 16 HD3 PRO 16 -20.733 -2.353 -11.422 740 H ARG 17 H ARG 17 -21.394 2.375 -8.480 741 HA ARG 17 HA ARG 17 -23.085 1.422 -6.316 742 HB2 ARG 17 HB2 ARG 17 -21.329 1.948 -4.662 743 HB3 ARG 17 HB3 ARG 17 -20.878 0.605 -5.702 744 HG2 ARG 17 HG2 ARG 17 -19.239 1.835 -6.801 745 HG3 ARG 17 HG3 ARG 17 -19.978 3.380 -6.375 746 HD2 ARG 17 HD2 ARG 17 -18.698 1.508 -4.385 747 HD3 ARG 17 HD3 ARG 17 -17.871 2.880 -5.127 748 HE ARG 17 HE ARG 17 -19.982 4.122 -4.154 749 HH11 ARG 17 HH11 ARG 17 -17.859 1.830 -2.518 750 HH12 ARG 17 HH12 ARG 17 -18.262 2.373 -0.945 751 HH21 ARG 17 HH21 ARG 17 -20.596 4.800 -2.132 752 HH22 ARG 17 HH22 ARG 17 -19.915 4.191 -0.702 753 H TYR 18 H TYR 18 -23.000 3.203 -4.563 754 HA TYR 18 HA TYR 18 -22.866 5.837 -5.787 755 HB2 TYR 18 HB2 TYR 18 -25.167 5.130 -4.988 756 HB3 TYR 18 HB3 TYR 18 -24.494 4.895 -3.383 757 HD1 TYR 18 HD1 TYR 18 -25.190 7.455 -5.975 758 HD2 TYR 18 HD2 TYR 18 -24.307 6.723 -1.878 759 HE1 TYR 18 HE1 TYR 18 -25.691 9.807 -5.450 760 HE2 TYR 18 HE2 TYR 18 -24.801 9.071 -1.344 761 HH TYR 18 HH TYR 18 -24.862 11.226 -2.487
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