NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
526310 | 2lc4 | 17598 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 ASP 1 H ASP 1 1.806 0.000 0.856 2 HA ASP 1 HA ASP 1 1.472 0.428 -2.014 3 HB2 ASP 1 2HB ASP 1 3.850 0.922 -2.047 4 HB3 ASP 1 3HB ASP 1 3.077 1.838 -0.756 5 H LEU 2 H LEU 2 3.176 -0.769 -3.399 6 HA LEU 2 HA LEU 2 3.657 -3.499 -2.503 7 HB2 LEU 2 2HB LEU 2 2.691 -4.370 -4.658 8 HB3 LEU 2 3HB LEU 2 1.529 -3.804 -3.460 9 HG LEU 2 HG LEU 2 1.614 -1.589 -4.844 10 HD11 LEU 2 1HD1 LEU 2 3.109 -1.751 -6.516 11 HD12 LEU 2 2HD1 LEU 2 1.796 -2.585 -7.345 12 HD13 LEU 2 3HD1 LEU 2 3.059 -3.513 -6.537 13 HD21 LEU 2 3HD2 LEU 2 0.187 -4.130 -5.563 14 HD22 LEU 2 1HD2 LEU 2 -0.128 -2.614 -6.407 15 HD23 LEU 2 2HD2 LEU 2 -0.420 -2.734 -4.672 16 H THR 3 H THR 3 5.220 -4.620 -3.747 17 HA THR 3 HA THR 3 7.284 -2.984 -4.775 18 HB THR 3 HB THR 3 8.322 -5.166 -5.501 19 HG1 THR 3 HG1 THR 3 7.040 -6.836 -5.605 20 HG21 THR 3 3HG2 THR 3 9.155 -5.399 -3.427 21 HG22 THR 3 1HG2 THR 3 7.569 -5.716 -2.725 22 HG23 THR 3 2HG2 THR 3 8.093 -4.056 -3.007 23 H VAL 4 H VAL 4 8.135 -2.870 -6.895 24 HA VAL 4 HA VAL 4 6.151 -3.430 -9.003 25 HB VAL 4 HB VAL 4 7.136 -1.565 -10.272 26 HG11 VAL 4 1HG1 VAL 4 5.195 -1.052 -8.997 27 HG12 VAL 4 2HG1 VAL 4 6.129 -0.937 -7.504 28 HG13 VAL 4 3HG1 VAL 4 6.330 0.278 -8.767 29 HG21 VAL 4 3HG2 VAL 4 9.389 -1.696 -9.231 30 HG22 VAL 4 1HG2 VAL 4 8.731 -0.061 -9.282 31 HG23 VAL 4 2HG2 VAL 4 8.715 -0.971 -7.771 32 H ARG 5 H ARG 5 8.358 -5.144 -7.950 33 HA ARG 5 HA ARG 5 10.202 -5.251 -10.207 34 HB2 ARG 5 2HB ARG 5 10.090 -6.765 -7.597 35 HB3 ARG 5 3HB ARG 5 11.274 -7.089 -8.856 36 HG2 ARG 5 2HG ARG 5 12.454 -5.692 -7.480 37 HG3 ARG 5 3HG ARG 5 11.781 -4.539 -8.635 38 HD2 ARG 5 2HD ARG 5 10.076 -3.885 -7.115 39 HD3 ARG 5 3HD ARG 5 10.448 -5.218 -6.024 40 HE ARG 5 HE ARG 5 12.743 -3.663 -6.254 41 HH11 ARG 5 1HH1 ARG 5 9.490 -3.354 -5.053 42 HH12 ARG 5 2HH1 ARG 5 9.909 -2.189 -3.841 43 HH21 ARG 5 1HH2 ARG 5 13.307 -2.130 -4.663 44 HH22 ARG 5 2HH2 ARG 5 12.081 -1.492 -3.621 45 H GLN 6 H GLN 6 10.486 -7.116 -11.489 46 HA GLN 6 HA GLN 6 8.708 -9.357 -11.252 47 HB2 GLN 6 2HB GLN 6 7.371 -7.455 -12.362 48 HB3 GLN 6 3HB GLN 6 8.402 -7.726 -13.761 49 HG2 GLN 6 2HG GLN 6 7.596 -9.934 -14.039 50 HG3 GLN 6 3HG GLN 6 6.781 -9.904 -12.476 51 HE21 GLN 6 1HE2 GLN 6 5.122 -8.115 -12.271 52 HE22 GLN 6 2HE2 GLN 6 4.087 -7.867 -13.631 53 H LYS 7 H LYS 7 9.757 -11.091 -11.959 54 HA LYS 7 HA LYS 7 11.963 -10.700 -13.872 55 HB2 LYS 7 2HB LYS 7 11.653 -12.935 -11.862 56 HB3 LYS 7 3HB LYS 7 13.052 -12.619 -12.879 57 HG2 LYS 7 2HG LYS 7 12.034 -10.836 -10.676 58 HG3 LYS 7 3HG LYS 7 13.440 -11.900 -10.590 59 HD2 LYS 7 2HD LYS 7 13.137 -9.645 -12.569 60 HD3 LYS 7 3HD LYS 7 13.993 -9.508 -11.032 61 HE2 LYS 7 2HE LYS 7 15.329 -11.559 -11.870 62 HE3 LYS 7 3HE LYS 7 14.703 -11.117 -13.458 63 HZ1 LYS 7 3HZ LYS 7 16.953 -10.173 -12.714 64 HZ2 LYS 7 1HZ LYS 7 16.042 -9.108 -11.766 65 HZ3 LYS 7 2HZ LYS 7 15.846 -9.123 -13.445 66 H GLY 8 H GLY 8 11.864 -11.705 -15.782 67 HA2 GLY 8 2HA GLY 8 11.368 -13.429 -17.289 68 HA3 GLY 8 3HA GLY 8 10.311 -14.148 -16.083 69 H ASN 9 H ASN 9 8.182 -13.923 -16.339 70 HA ASN 9 HA ASN 9 7.201 -11.749 -18.059 71 HB2 ASN 9 2HB ASN 9 5.427 -13.580 -18.752 72 HB3 ASN 9 3HB ASN 9 6.977 -13.468 -19.580 73 HD21 ASN 9 1HD2 ASN 9 4.950 -15.357 -17.569 74 HD22 ASN 9 2HD2 ASN 9 5.975 -16.743 -17.456 75 H LYS 10 H LYS 10 5.898 -14.433 -16.099 76 HA LYS 10 HA LYS 10 4.196 -14.509 -14.584 77 HB2 LYS 10 2HB LYS 10 5.403 -11.827 -13.888 78 HB3 LYS 10 3HB LYS 10 4.209 -12.656 -12.896 79 HG2 LYS 10 2HG LYS 10 5.852 -14.605 -12.849 80 HG3 LYS 10 3HG LYS 10 7.038 -13.459 -13.478 81 HD2 LYS 10 2HD LYS 10 6.965 -12.143 -11.553 82 HD3 LYS 10 3HD LYS 10 5.418 -12.818 -11.038 83 HE2 LYS 10 2HE LYS 10 7.870 -14.532 -11.243 84 HE3 LYS 10 3HE LYS 10 7.561 -13.555 -9.809 85 HZ1 LYS 10 3HZ LYS 10 5.258 -14.702 -9.901 86 HZ2 LYS 10 1HZ LYS 10 6.581 -15.543 -9.263 87 HZ3 LYS 10 2HZ LYS 10 6.057 -15.862 -10.839 88 H VAL 11 H VAL 11 3.432 -13.617 -17.152 89 HA VAL 11 HA VAL 11 1.591 -11.401 -16.755 90 HB VAL 11 HB VAL 11 1.824 -13.100 -19.232 91 HG11 VAL 11 1HG1 VAL 11 0.829 -10.315 -18.669 92 HG12 VAL 11 2HG1 VAL 11 1.126 -10.928 -20.297 93 HG13 VAL 11 3HG1 VAL 11 -0.090 -11.694 -19.273 94 HG21 VAL 11 3HG2 VAL 11 3.272 -10.812 -19.729 95 HG22 VAL 11 1HG2 VAL 11 3.762 -11.250 -18.093 96 HG23 VAL 11 2HG2 VAL 11 3.943 -12.411 -19.408 97 H ILE 12 H ILE 12 -0.681 -11.582 -17.227 98 HA ILE 12 HA ILE 12 -1.784 -14.292 -16.958 99 HB ILE 12 HB ILE 12 -3.571 -13.283 -15.462 100 HG12 ILE 12 2HG1 ILE 12 -1.476 -11.156 -15.001 101 HG13 ILE 12 3HG1 ILE 12 -2.900 -10.909 -16.006 102 HG21 ILE 12 1HG2 ILE 12 -2.241 -13.576 -13.446 103 HG22 ILE 12 2HG2 ILE 12 -1.818 -14.790 -14.652 104 HG23 ILE 12 3HG2 ILE 12 -0.758 -13.406 -14.385 105 HD11 ILE 12 3HD1 ILE 12 -3.991 -11.855 -13.693 106 HD12 ILE 12 1HD1 ILE 12 -2.624 -10.909 -13.105 107 HD13 ILE 12 2HD1 ILE 12 -3.841 -10.154 -14.135 108 H LYS 13 H LYS 13 -3.977 -14.518 -17.690 109 HA LYS 13 HA LYS 13 -4.507 -12.968 -20.039 110 HB2 LYS 13 2HB LYS 13 -6.241 -15.049 -18.694 111 HB3 LYS 13 3HB LYS 13 -6.430 -14.442 -20.334 112 HG2 LYS 13 2HG LYS 13 -4.039 -15.315 -20.706 113 HG3 LYS 13 3HG LYS 13 -4.308 -16.236 -19.225 114 HD2 LYS 13 2HD LYS 13 -6.046 -17.478 -20.173 115 HD3 LYS 13 3HD LYS 13 -6.281 -16.319 -21.484 116 HE2 LYS 13 2HE LYS 13 -4.312 -17.015 -22.583 117 HE3 LYS 13 3HE LYS 13 -3.744 -17.901 -21.168 118 HZ1 LYS 13 3HZ LYS 13 -4.565 -19.485 -22.693 119 HZ2 LYS 13 1HZ LYS 13 -5.990 -18.614 -22.966 120 HZ3 LYS 13 2HZ LYS 13 -5.732 -19.368 -21.474 121 HA PRO 14 HA PRO 14 -7.225 -9.902 -18.461 122 HB2 PRO 14 2HB PRO 14 -8.937 -9.598 -20.546 123 HB3 PRO 14 3HB PRO 14 -7.267 -9.020 -20.582 124 HG2 PRO 14 2HG PRO 14 -8.430 -11.523 -21.741 125 HG3 PRO 14 3HG PRO 14 -7.259 -10.399 -22.455 126 HD2 PRO 14 2HD PRO 14 -6.523 -12.747 -21.326 127 HD3 PRO 14 3HD PRO 14 -5.489 -11.304 -21.288 128 H ASP 15 H ASP 15 -9.252 -9.583 -17.530 129 HA ASP 15 HA ASP 15 -11.235 -11.719 -17.800 130 HB2 ASP 15 2HB ASP 15 -9.647 -12.076 -15.794 131 HB3 ASP 15 3HB ASP 15 -10.484 -10.705 -15.069 132 H GLU 16 H GLU 16 -13.313 -11.115 -16.668 133 HA GLU 16 HA GLU 16 -13.844 -8.278 -17.181 134 HB2 GLU 16 2HB GLU 16 -16.223 -8.956 -17.260 135 HB3 GLU 16 3HB GLU 16 -15.235 -9.807 -18.439 136 HG2 GLU 16 2HG GLU 16 -15.273 -11.801 -17.178 137 HG3 GLU 16 3HG GLU 16 -15.933 -10.979 -15.765 138 H THR 17 H THR 17 -12.610 -9.365 -14.709 139 HA THR 17 HA THR 17 -14.635 -8.424 -12.783 140 HB THR 17 HB THR 17 -13.464 -9.803 -11.067 141 HG1 THR 17 HG1 THR 17 -11.828 -11.107 -11.634 142 HG21 THR 17 3HG2 THR 17 -15.042 -10.801 -13.314 143 HG22 THR 17 1HG2 THR 17 -15.243 -11.071 -11.584 144 HG23 THR 17 2HG2 THR 17 -14.106 -12.057 -12.504 145 H ARG 18 H ARG 18 -11.267 -8.381 -13.767 146 HA ARG 18 HA ARG 18 -10.135 -6.949 -11.680 147 HB2 ARG 18 2HB ARG 18 -9.489 -6.789 -14.630 148 HB3 ARG 18 3HB ARG 18 -8.460 -6.186 -13.337 149 HG2 ARG 18 2HG ARG 18 -9.295 -9.028 -13.218 150 HG3 ARG 18 3HG ARG 18 -8.102 -8.565 -14.433 151 HD2 ARG 18 2HD ARG 18 -7.741 -7.636 -11.625 152 HD3 ARG 18 3HD ARG 18 -7.367 -9.312 -12.022 153 HE ARG 18 HE ARG 18 -6.069 -7.838 -13.924 154 HH11 ARG 18 1HH1 ARG 18 -6.072 -7.940 -10.444 155 HH12 ARG 18 2HH1 ARG 18 -4.422 -7.433 -10.298 156 HH21 ARG 18 1HH2 ARG 18 -3.895 -7.170 -13.744 157 HH22 ARG 18 2HH2 ARG 18 -3.185 -6.994 -12.176 158 H VAL 19 H VAL 19 -9.245 -4.616 -12.037 159 HA VAL 19 HA VAL 19 -11.308 -2.810 -11.735 160 HB VAL 19 HB VAL 19 -9.062 -2.267 -11.023 161 HG11 VAL 19 1HG1 VAL 19 -8.350 -3.130 -13.612 162 HG12 VAL 19 2HG1 VAL 19 -7.867 -1.437 -13.481 163 HG13 VAL 19 3HG1 VAL 19 -7.284 -2.615 -12.305 164 HG21 VAL 19 3HG2 VAL 19 -9.146 -0.006 -11.448 165 HG22 VAL 19 1HG2 VAL 19 -9.582 -0.232 -13.142 166 HG23 VAL 19 2HG2 VAL 19 -10.786 -0.491 -11.879 167 H LYS 20 H LYS 20 -12.565 -1.624 -13.051 168 HA LYS 20 HA LYS 20 -12.088 -1.852 -15.950 169 HB2 LYS 20 2HB LYS 20 -14.757 -1.327 -14.649 170 HB3 LYS 20 3HB LYS 20 -14.440 -1.800 -16.314 171 HG2 LYS 20 2HG LYS 20 -15.089 -3.810 -15.509 172 HG3 LYS 20 3HG LYS 20 -13.375 -3.910 -15.098 173 HD2 LYS 20 2HD LYS 20 -14.299 -4.490 -13.086 174 HD3 LYS 20 3HD LYS 20 -14.198 -2.740 -12.878 175 HE2 LYS 20 2HE LYS 20 -16.365 -3.254 -12.193 176 HE3 LYS 20 3HE LYS 20 -16.575 -2.693 -13.851 177 HZ1 LYS 20 3HZ LYS 20 -17.845 -4.716 -13.370 178 HZ2 LYS 20 1HZ LYS 20 -16.409 -5.544 -13.034 179 HZ3 LYS 20 2HZ LYS 20 -16.706 -4.965 -14.595 180 H GLN 21 H GLN 21 -10.936 0.004 -16.308 181 HA GLN 21 HA GLN 21 -12.036 2.539 -15.351 182 HB2 GLN 21 2HB GLN 21 -9.373 1.631 -16.317 183 HB3 GLN 21 3HB GLN 21 -9.806 3.313 -16.595 184 HG2 GLN 21 2HG GLN 21 -9.771 1.927 -13.923 185 HG3 GLN 21 3HG GLN 21 -8.537 3.028 -14.534 186 HE21 GLN 21 1HE2 GLN 21 -11.275 2.774 -12.683 187 HE22 GLN 21 2HE2 GLN 21 -11.718 4.442 -12.615 188 H PHE 22 H PHE 22 -12.370 4.313 -16.785 189 HA PHE 22 HA PHE 22 -13.751 3.633 -19.142 190 HB2 PHE 22 2HB PHE 22 -14.375 5.635 -18.000 191 HB3 PHE 22 3HB PHE 22 -12.736 6.273 -18.091 192 HD1 PHE 22 HD2 PHE 22 -15.461 5.101 -20.353 193 HD2 PHE 22 HD1 PHE 22 -12.282 7.853 -19.690 194 HE1 PHE 22 HE2 PHE 22 -16.036 6.264 -22.444 195 HE2 PHE 22 HE1 PHE 22 -12.853 9.021 -21.779 196 HZ PHE 22 HZ PHE 22 -14.732 8.226 -23.160 197 H LEU 23 H LEU 23 -10.477 4.786 -18.564 198 HA LEU 23 HA LEU 23 -9.884 5.065 -21.372 199 HB2 LEU 23 2HB LEU 23 -8.050 5.078 -18.978 200 HB3 LEU 23 3HB LEU 23 -7.605 5.540 -20.620 201 HG LEU 23 HG LEU 23 -7.890 7.578 -19.555 202 HD11 LEU 23 1HD1 LEU 23 -9.186 7.447 -21.636 203 HD12 LEU 23 2HD1 LEU 23 -9.898 8.571 -20.479 204 HD13 LEU 23 3HD1 LEU 23 -10.609 6.974 -20.709 205 HD21 LEU 23 3HD2 LEU 23 -9.071 7.912 -17.687 206 HD22 LEU 23 1HD2 LEU 23 -9.298 6.163 -17.677 207 HD23 LEU 23 2HD2 LEU 23 -10.535 7.208 -18.376 208 H GLU 24 H GLU 24 -9.926 2.522 -19.116 209 HA GLU 24 HA GLU 24 -7.856 0.928 -20.298 210 HB2 GLU 24 2HB GLU 24 -9.834 0.621 -18.126 211 HB3 GLU 24 3HB GLU 24 -9.360 -0.868 -18.932 212 HG2 GLU 24 2HG GLU 24 -6.978 -0.238 -18.503 213 HG3 GLU 24 3HG GLU 24 -7.577 1.092 -17.514 214 H GLY 25 H GLY 25 -10.860 1.812 -21.363 215 HA2 GLY 25 2HA GLY 25 -11.438 -0.745 -22.675 216 HA3 GLY 25 3HA GLY 25 -12.509 0.646 -22.606 217 H PHE 26 H PHE 26 -9.437 1.694 -23.336 218 HA PHE 26 HA PHE 26 -9.952 1.532 -26.232 219 HB2 PHE 26 2HB PHE 26 -8.761 3.895 -24.767 220 HB3 PHE 26 3HB PHE 26 -9.112 3.798 -26.489 221 HD1 PHE 26 HD2 PHE 26 -11.504 3.623 -27.231 222 HD2 PHE 26 HD1 PHE 26 -10.401 4.548 -23.225 223 HE1 PHE 26 HE2 PHE 26 -13.757 4.522 -26.822 224 HE2 PHE 26 HE1 PHE 26 -12.654 5.448 -22.810 225 HZ PHE 26 HZ PHE 26 -14.334 5.437 -24.610 226 H ASN 27 H ASN 27 -8.097 1.560 -27.599 227 HA ASN 27 HA ASN 27 -6.019 -0.095 -26.820 228 HB2 ASN 27 2HB ASN 27 -6.571 1.661 -29.127 229 HB3 ASN 27 3HB ASN 27 -4.869 1.296 -28.860 230 HD21 ASN 27 1HD2 ASN 27 -4.209 -0.908 -28.854 231 HD22 ASN 27 2HD2 ASN 27 -5.123 -2.097 -29.710 232 H ILE 28 H ILE 28 -3.670 0.440 -26.777 233 HA ILE 28 HA ILE 28 -3.239 2.682 -24.964 234 HB ILE 28 HB ILE 28 -2.356 0.430 -24.391 235 HG12 ILE 28 2HG1 ILE 28 -0.088 1.216 -23.744 236 HG13 ILE 28 3HG1 ILE 28 -0.294 2.607 -24.804 237 HG21 ILE 28 1HG2 ILE 28 -0.103 0.714 -26.275 238 HG22 ILE 28 2HG2 ILE 28 -0.910 -0.735 -25.678 239 HG23 ILE 28 3HG2 ILE 28 -1.645 0.214 -26.970 240 HD11 ILE 28 3HD1 ILE 28 -0.946 2.443 -22.120 241 HD12 ILE 28 1HD1 ILE 28 -1.408 3.717 -23.247 242 HD13 ILE 28 2HD1 ILE 28 -2.495 2.359 -22.958 243 H GLU 29 H GLU 29 -2.628 1.764 -28.230 244 HA GLU 29 HA GLU 29 -0.503 3.683 -28.632 245 HB2 GLU 29 2HB GLU 29 -0.716 3.008 -31.029 246 HB3 GLU 29 3HB GLU 29 -0.396 1.671 -29.933 247 HG2 GLU 29 2HG GLU 29 -2.347 0.668 -30.378 248 HG3 GLU 29 3HG GLU 29 -3.237 2.189 -30.431 249 H THR 30 H THR 30 -3.955 3.526 -28.997 250 HA THR 30 HA THR 30 -4.348 5.636 -30.803 251 HB THR 30 HB THR 30 -6.161 4.116 -30.210 252 HG1 THR 30 HG1 THR 30 -6.480 6.500 -30.741 253 HG21 THR 30 3HG2 THR 30 -5.407 4.830 -27.532 254 HG22 THR 30 1HG2 THR 30 -6.484 3.546 -28.080 255 HG23 THR 30 2HG2 THR 30 -7.120 5.165 -27.783 256 H PHE 31 H PHE 31 -3.368 5.633 -27.511 257 HA PHE 31 HA PHE 31 -4.209 8.328 -26.944 258 HB2 PHE 31 2HB PHE 31 -2.266 6.562 -25.440 259 HB3 PHE 31 3HB PHE 31 -2.997 8.047 -24.840 260 HD1 PHE 31 HD1 PHE 31 -5.786 7.587 -25.895 261 HD2 PHE 31 HD2 PHE 31 -3.066 5.034 -23.845 262 HE1 PHE 31 HE1 PHE 31 -7.679 6.294 -25.000 263 HE2 PHE 31 HE2 PHE 31 -4.954 3.736 -22.948 264 HZ PHE 31 HZ PHE 31 -7.264 4.365 -23.526 265 H GLU 32 H GLU 32 -2.803 10.112 -26.570 266 HA GLU 32 HA GLU 32 -0.148 9.901 -27.811 267 HB2 GLU 32 2HB GLU 32 -2.215 12.035 -28.366 268 HB3 GLU 32 3HB GLU 32 -0.535 12.128 -28.874 269 HG2 GLU 32 2HG GLU 32 -1.609 9.635 -29.731 270 HG3 GLU 32 3HG GLU 32 -2.708 10.928 -30.211 271 H MET 33 H MET 33 1.347 10.534 -26.417 272 HA MET 33 HA MET 33 0.900 11.646 -23.932 273 HB2 MET 33 2HB MET 33 2.997 10.599 -24.391 274 HB3 MET 33 3HB MET 33 3.348 11.727 -25.693 275 HG2 MET 33 2HG MET 33 3.565 13.539 -24.092 276 HG3 MET 33 3HG MET 33 3.158 12.440 -22.776 277 HE1 MET 33 3HE MET 33 6.183 13.810 -22.165 278 HE2 MET 33 1HE MET 33 4.860 12.920 -21.411 279 HE3 MET 33 2HE MET 33 6.475 12.213 -21.474 280 H VAL 34 H VAL 34 0.213 13.577 -23.306 281 HA VAL 34 HA VAL 34 0.280 15.808 -25.184 282 HB VAL 34 HB VAL 34 -1.069 15.553 -22.493 283 HG11 VAL 34 1HG1 VAL 34 -2.284 17.614 -23.215 284 HG12 VAL 34 2HG1 VAL 34 -0.569 17.860 -22.877 285 HG13 VAL 34 3HG1 VAL 34 -1.135 17.758 -24.545 286 HG21 VAL 34 3HG2 VAL 34 -2.198 14.124 -23.976 287 HG22 VAL 34 1HG2 VAL 34 -3.138 15.616 -23.984 288 HG23 VAL 34 2HG2 VAL 34 -2.044 15.256 -25.320 289 H GLY 35 H GLY 35 1.094 15.247 -21.752 290 HA2 GLY 35 2HA GLY 35 3.483 16.862 -22.034 291 HA3 GLY 35 3HA GLY 35 2.239 17.571 -21.015 292 H THR 36 H THR 36 4.229 17.343 -19.546 293 HA THR 36 HA THR 36 3.790 14.980 -17.902 294 HB THR 36 HB THR 36 6.487 15.075 -17.693 295 HG1 THR 36 HG1 THR 36 6.076 15.300 -20.483 296 HG21 THR 36 3HG2 THR 36 5.579 12.973 -17.938 297 HG22 THR 36 1HG2 THR 36 6.373 13.169 -19.500 298 HG23 THR 36 2HG2 THR 36 4.635 13.428 -19.356 299 H LEU 37 H LEU 37 4.017 15.368 -15.754 300 HA LEU 37 HA LEU 37 4.920 18.065 -14.989 301 HB2 LEU 37 2HB LEU 37 2.501 17.539 -14.649 302 HB3 LEU 37 3HB LEU 37 2.990 16.291 -13.505 303 HG LEU 37 HG LEU 37 2.202 18.513 -12.547 304 HD11 LEU 37 1HD1 LEU 37 3.217 17.789 -10.715 305 HD12 LEU 37 2HD1 LEU 37 4.791 18.287 -11.335 306 HD13 LEU 37 3HD1 LEU 37 4.159 16.685 -11.718 307 HD21 LEU 37 3HD2 LEU 37 3.388 20.414 -12.812 308 HD22 LEU 37 1HD2 LEU 37 3.892 19.636 -14.312 309 HD23 LEU 37 2HD2 LEU 37 4.934 19.569 -12.891 310 H SER 38 H SER 38 6.351 18.310 -13.327 311 HA SER 38 HA SER 38 7.188 15.956 -11.814 312 HB2 SER 38 2HB SER 38 9.476 16.106 -12.390 313 HB3 SER 38 3HB SER 38 8.620 16.239 -13.926 314 HG SER 38 HG SER 38 8.788 18.600 -13.533 315 H ASN 39 H ASN 39 7.122 16.520 -9.752 316 HA ASN 39 HA ASN 39 8.397 18.953 -8.848 317 HB2 ASN 39 2HB ASN 39 6.509 19.949 -7.804 318 HB3 ASN 39 3HB ASN 39 6.004 19.570 -9.448 319 HD21 ASN 39 1HD2 ASN 39 5.259 17.078 -9.482 320 HD22 ASN 39 2HD2 ASN 39 4.014 16.743 -8.331 321 H ALA 40 H ALA 40 7.541 19.065 -6.274 322 HA ALA 40 HA ALA 40 8.995 17.091 -4.985 323 HB1 ALA 40 1HB ALA 40 6.886 18.998 -4.049 324 HB2 ALA 40 2HB ALA 40 7.583 17.813 -2.943 325 HB3 ALA 40 3HB ALA 40 8.621 19.003 -3.728 326 H GLN 41 H GLN 41 5.576 17.173 -5.813 327 HA GLN 41 HA GLN 41 4.751 14.961 -4.283 328 HB2 GLN 41 2HB GLN 41 3.650 16.618 -6.416 329 HB3 GLN 41 3HB GLN 41 3.125 14.943 -6.525 330 HG2 GLN 41 2HG GLN 41 2.569 15.189 -4.021 331 HG3 GLN 41 3HG GLN 41 2.668 16.921 -4.332 332 HE21 GLN 41 1HE2 GLN 41 1.076 17.920 -5.489 333 HE22 GLN 41 2HE2 GLN 41 -0.388 17.137 -5.966 334 H GLY 42 H GLY 42 6.382 15.212 -7.352 335 HA2 GLY 42 2HA GLY 42 7.692 13.008 -7.665 336 HA3 GLY 42 3HA GLY 42 6.081 12.316 -7.780 337 H THR 43 H THR 43 6.679 11.582 -9.899 338 HA THR 43 HA THR 43 6.617 13.729 -11.919 339 HB THR 43 HB THR 43 7.682 11.005 -12.561 340 HG1 THR 43 HG1 THR 43 9.394 13.053 -11.627 341 HG21 THR 43 3HG2 THR 43 8.754 13.618 -13.539 342 HG22 THR 43 1HG2 THR 43 7.232 13.006 -14.186 343 HG23 THR 43 2HG2 THR 43 8.707 12.052 -14.348 344 H PHE 44 H PHE 44 4.719 13.836 -12.908 345 HA PHE 44 HA PHE 44 3.191 11.350 -13.302 346 HB2 PHE 44 2HB PHE 44 2.077 14.158 -13.300 347 HB3 PHE 44 3HB PHE 44 1.175 12.647 -13.253 348 HD1 PHE 44 HD2 PHE 44 3.346 14.905 -11.322 349 HD2 PHE 44 HD1 PHE 44 0.807 11.491 -11.213 350 HE1 PHE 44 HE2 PHE 44 3.343 14.990 -8.863 351 HE2 PHE 44 HE1 PHE 44 0.800 11.571 -8.753 352 HZ PHE 44 HZ PHE 44 2.070 13.321 -7.575 353 H ALA 45 H ALA 45 1.861 11.257 -15.270 354 HA ALA 45 HA ALA 45 3.087 12.734 -17.508 355 HB1 ALA 45 1HB ALA 45 3.873 10.755 -18.183 356 HB2 ALA 45 2HB ALA 45 2.826 9.861 -17.081 357 HB3 ALA 45 3HB ALA 45 2.208 10.397 -18.643 358 H LEU 46 H LEU 46 1.728 13.691 -18.908 359 HA LEU 46 HA LEU 46 -1.152 13.285 -18.480 360 HB2 LEU 46 2HB LEU 46 0.023 15.601 -19.965 361 HB3 LEU 46 3HB LEU 46 -1.523 15.487 -19.128 362 HG LEU 46 HG LEU 46 1.206 15.770 -17.878 363 HD11 LEU 46 1HD1 LEU 46 0.683 17.939 -17.445 364 HD12 LEU 46 2HD1 LEU 46 -1.051 17.629 -17.384 365 HD13 LEU 46 3HD1 LEU 46 -0.228 17.730 -18.941 366 HD21 LEU 46 3HD2 LEU 46 -0.769 16.101 -15.937 367 HD22 LEU 46 1HD2 LEU 46 0.373 14.765 -16.080 368 HD23 LEU 46 2HD2 LEU 46 -1.225 14.641 -16.816 369 H VAL 47 H VAL 47 -2.267 12.258 -19.994 370 HA VAL 47 HA VAL 47 -1.294 12.341 -22.772 371 HB VAL 47 HB VAL 47 -0.836 10.136 -21.606 372 HG11 VAL 47 1HG1 VAL 47 -3.546 9.174 -22.032 373 HG12 VAL 47 2HG1 VAL 47 -2.463 8.938 -20.659 374 HG13 VAL 47 3HG1 VAL 47 -3.450 10.396 -20.764 375 HG21 VAL 47 3HG2 VAL 47 -1.394 8.837 -23.537 376 HG22 VAL 47 1HG2 VAL 47 -2.675 9.963 -23.988 377 HG23 VAL 47 2HG2 VAL 47 -0.987 10.465 -24.079 378 H LYS 48 H LYS 48 -2.945 11.960 -24.393 379 HA LYS 48 HA LYS 48 -5.638 12.704 -23.452 380 HB2 LYS 48 2HB LYS 48 -4.695 14.561 -24.650 381 HB3 LYS 48 3HB LYS 48 -4.180 13.517 -25.969 382 HG2 LYS 48 2HG LYS 48 -6.531 13.068 -26.513 383 HG3 LYS 48 3HG LYS 48 -7.025 14.158 -25.215 384 HD2 LYS 48 2HD LYS 48 -5.850 16.002 -26.338 385 HD3 LYS 48 3HD LYS 48 -5.395 14.905 -27.644 386 HE2 LYS 48 2HE LYS 48 -7.870 14.482 -27.966 387 HE3 LYS 48 3HE LYS 48 -8.152 15.838 -26.876 388 HZ1 LYS 48 3HZ LYS 48 -7.040 15.840 -29.593 389 HZ2 LYS 48 1HZ LYS 48 -6.557 17.050 -28.514 390 HZ3 LYS 48 2HZ LYS 48 -8.192 16.868 -28.902 391 H GLY 49 H GLY 49 -7.409 11.695 -24.377 392 HA2 GLY 49 2HA GLY 49 -7.434 10.087 -26.647 393 HA3 GLY 49 3HA GLY 49 -7.013 9.044 -25.297 394 H ALA 50 H ALA 50 -9.265 8.470 -26.653 395 HA ALA 50 HA ALA 50 -11.522 8.173 -26.494 396 HB1 ALA 50 1HB ALA 50 -11.079 8.626 -23.550 397 HB2 ALA 50 2HB ALA 50 -12.349 7.671 -24.316 398 HB3 ALA 50 3HB ALA 50 -10.673 7.127 -24.385 399 H GLY 51 H GLY 51 -10.555 10.928 -26.884 400 HA2 GLY 51 2HA GLY 51 -11.543 12.989 -27.147 401 HA3 GLY 51 3HA GLY 51 -13.048 12.265 -26.598 402 H GLY 52 H GLY 52 -10.025 12.376 -24.782 403 HA2 GLY 52 2HA GLY 52 -10.784 14.634 -23.197 404 HA3 GLY 52 3HA GLY 52 -11.107 13.118 -22.368 405 H VAL 53 H VAL 53 -9.454 14.567 -21.023 406 HA VAL 53 HA VAL 53 -6.730 13.726 -21.764 407 HB VAL 53 HB VAL 53 -6.030 15.476 -20.046 408 HG11 VAL 53 1HG1 VAL 53 -6.104 17.254 -21.653 409 HG12 VAL 53 2HG1 VAL 53 -5.887 15.733 -22.520 410 HG13 VAL 53 3HG1 VAL 53 -7.470 16.511 -22.483 411 HG21 VAL 53 3HG2 VAL 53 -8.184 15.739 -18.940 412 HG22 VAL 53 1HG2 VAL 53 -7.644 17.274 -19.621 413 HG23 VAL 53 2HG2 VAL 53 -8.896 16.339 -20.439 414 H HIS 54 H HIS 54 -5.476 12.599 -20.330 415 HA HIS 54 HA HIS 54 -6.690 11.880 -17.749 416 HB2 HIS 54 2HB HIS 54 -5.076 9.770 -19.013 417 HB3 HIS 54 3HB HIS 54 -6.603 9.654 -18.143 418 HD1 HIS 54 HD1 HIS 54 -5.334 8.964 -21.322 419 HD2 HIS 54 HD2 HIS 54 -8.754 10.910 -19.989 420 HE1 HIS 54 HE1 HIS 54 -6.940 8.899 -23.255 421 H ARG 55 H ARG 55 -5.172 11.173 -16.123 422 HA ARG 55 HA ARG 55 -2.382 11.930 -16.643 423 HB2 ARG 55 2HB ARG 55 -2.254 13.148 -14.552 424 HB3 ARG 55 3HB ARG 55 -3.537 13.823 -15.548 425 HG2 ARG 55 2HG ARG 55 -5.175 12.494 -14.230 426 HG3 ARG 55 3HG ARG 55 -3.850 12.007 -13.170 427 HD2 ARG 55 2HD ARG 55 -3.405 14.443 -12.767 428 HD3 ARG 55 3HD ARG 55 -4.893 14.792 -13.646 429 HE ARG 55 HE ARG 55 -4.674 13.900 -10.955 430 HH11 ARG 55 1HH1 ARG 55 -6.663 13.681 -13.804 431 HH12 ARG 55 2HH1 ARG 55 -8.119 13.360 -12.922 432 HH21 ARG 55 1HH2 ARG 55 -6.584 13.479 -9.782 433 HH22 ARG 55 2HH2 ARG 55 -8.073 13.246 -10.634 434 H VAL 56 H VAL 56 -0.987 10.433 -15.986 435 HA VAL 56 HA VAL 56 -1.644 8.728 -13.704 436 HB VAL 56 HB VAL 56 -0.831 6.714 -14.985 437 HG11 VAL 56 1HG1 VAL 56 -3.361 7.935 -16.075 438 HG12 VAL 56 2HG1 VAL 56 -2.981 6.220 -15.908 439 HG13 VAL 56 3HG1 VAL 56 -3.225 7.214 -14.472 440 HG21 VAL 56 3HG2 VAL 56 -0.117 6.897 -17.082 441 HG22 VAL 56 1HG2 VAL 56 -1.631 7.658 -17.573 442 HG23 VAL 56 2HG2 VAL 56 -0.307 8.646 -16.955 443 H ARG 57 H ARG 57 0.171 7.729 -12.726 444 HA ARG 57 HA ARG 57 2.774 8.793 -13.607 445 HB2 ARG 57 2HB ARG 57 3.354 8.768 -11.112 446 HB3 ARG 57 3HB ARG 57 2.291 10.049 -11.682 447 HG2 ARG 57 2HG ARG 57 0.482 9.239 -10.566 448 HG3 ARG 57 3HG ARG 57 1.034 7.565 -10.661 449 HD2 ARG 57 2HD ARG 57 2.287 9.685 -8.921 450 HD3 ARG 57 3HD ARG 57 1.088 8.518 -8.364 451 HE ARG 57 HE ARG 57 3.240 7.160 -9.571 452 HH11 ARG 57 1HH1 ARG 57 2.449 8.977 -6.709 453 HH12 ARG 57 2HH1 ARG 57 3.615 8.168 -5.715 454 HH21 ARG 57 1HH2 ARG 57 4.778 6.087 -8.273 455 HH22 ARG 57 2HH2 ARG 57 4.940 6.525 -6.606 456 H VAL 58 H VAL 58 4.570 7.548 -12.243 457 HA VAL 58 HA VAL 58 4.798 5.006 -13.250 458 HB VAL 58 HB VAL 58 5.997 5.993 -10.658 459 HG11 VAL 58 1HG1 VAL 58 6.539 3.615 -12.392 460 HG12 VAL 58 2HG1 VAL 58 7.829 4.332 -11.424 461 HG13 VAL 58 3HG1 VAL 58 6.379 3.706 -10.638 462 HG21 VAL 58 3HG2 VAL 58 7.990 6.194 -12.432 463 HG22 VAL 58 1HG2 VAL 58 6.622 6.490 -13.506 464 HG23 VAL 58 2HG2 VAL 58 6.872 7.516 -12.093 465 H GLY 59 H GLY 59 3.637 3.230 -12.935 466 HA2 GLY 59 2HA GLY 59 3.102 1.465 -11.304 467 HA3 GLY 59 3HA GLY 59 2.547 2.742 -10.232 468 H ASP 60 H ASP 60 1.129 4.260 -12.177 469 HA ASP 60 HA ASP 60 -1.370 2.963 -12.088 470 HB2 ASP 60 2HB ASP 60 -0.341 5.426 -13.460 471 HB3 ASP 60 3HB ASP 60 -1.967 4.839 -13.801 472 H TYR 61 H TYR 61 -2.743 2.831 -14.197 473 HA TYR 61 HA TYR 61 -1.172 1.498 -16.298 474 HB2 TYR 61 2HB TYR 61 -3.834 0.521 -15.248 475 HB3 TYR 61 3HB TYR 61 -2.840 -0.250 -16.479 476 HD1 TYR 61 HD1 TYR 61 -3.000 0.608 -12.880 477 HD2 TYR 61 HD2 TYR 61 -1.082 -1.718 -15.883 478 HE1 TYR 61 HE1 TYR 61 -1.864 -0.700 -11.134 479 HE2 TYR 61 HE2 TYR 61 0.057 -3.033 -14.145 480 HH TYR 61 HH TYR 61 -0.174 -3.604 -11.819 481 H LEU 62 H LEU 62 -2.218 1.413 -18.388 482 HA LEU 62 HA LEU 62 -4.572 3.010 -18.846 483 HB2 LEU 62 2HB LEU 62 -3.240 4.431 -20.547 484 HB3 LEU 62 3HB LEU 62 -3.221 4.874 -18.841 485 HG LEU 62 HG LEU 62 -1.026 3.144 -19.862 486 HD11 LEU 62 1HD1 LEU 62 0.057 5.581 -20.233 487 HD12 LEU 62 2HD1 LEU 62 -1.589 5.880 -20.791 488 HD13 LEU 62 3HD1 LEU 62 -0.626 4.601 -21.531 489 HD21 LEU 62 3HD2 LEU 62 -1.534 5.052 -17.658 490 HD22 LEU 62 1HD2 LEU 62 0.108 4.989 -18.298 491 HD23 LEU 62 2HD2 LEU 62 -0.646 3.527 -17.662 492 H GLY 63 H GLY 63 -5.537 2.576 -20.803 493 HA2 GLY 63 2HA GLY 63 -5.686 1.725 -22.987 494 HA3 GLY 63 3HA GLY 63 -4.069 1.060 -22.815 495 H ARG 64 H ARG 64 -6.176 -0.384 -23.928 496 HA ARG 64 HA ARG 64 -7.484 -2.067 -22.071 497 HB2 ARG 64 2HB ARG 64 -6.801 -2.595 -24.969 498 HB3 ARG 64 3HB ARG 64 -7.964 -3.499 -24.009 499 HG2 ARG 64 2HG ARG 64 -8.862 -0.939 -23.717 500 HG3 ARG 64 3HG ARG 64 -8.240 -0.931 -25.369 501 HD2 ARG 64 2HD ARG 64 -10.369 -2.684 -24.177 502 HD3 ARG 64 3HD ARG 64 -10.498 -1.578 -25.543 503 HE ARG 64 HE ARG 64 -8.643 -3.394 -26.346 504 HH11 ARG 64 1HH1 ARG 64 -11.895 -3.617 -25.124 505 HH12 ARG 64 2HH1 ARG 64 -12.264 -5.066 -26.000 506 HH21 ARG 64 1HH2 ARG 64 -9.117 -5.301 -27.505 507 HH22 ARG 64 2HH2 ARG 64 -10.683 -6.023 -27.353 508 H ASN 65 H ASN 65 -4.269 -1.972 -23.219 509 HA ASN 65 HA ASN 65 -3.739 -4.766 -22.588 510 HB2 ASN 65 2HB ASN 65 -1.791 -2.625 -23.466 511 HB3 ASN 65 3HB ASN 65 -1.513 -4.364 -23.448 512 HD21 ASN 65 1HD2 ASN 65 -3.616 -5.452 -24.598 513 HD22 ASN 65 2HD2 ASN 65 -3.840 -4.871 -26.210 514 H ASP 66 H ASP 66 -4.407 -2.459 -20.637 515 HA ASP 66 HA ASP 66 -3.799 -1.765 -18.552 516 HB2 ASP 66 2HB ASP 66 -4.062 -4.295 -18.306 517 HB3 ASP 66 3HB ASP 66 -2.303 -4.374 -18.344 518 H GLY 67 H GLY 67 -2.147 -0.751 -20.536 519 HA2 GLY 67 2HA GLY 67 0.588 -1.113 -20.256 520 HA3 GLY 67 3HA GLY 67 -0.170 0.396 -20.744 521 H LYS 68 H LYS 68 1.471 -1.281 -18.258 522 HA LYS 68 HA LYS 68 0.804 0.566 -16.149 523 HB2 LYS 68 2HB LYS 68 1.347 -1.775 -15.648 524 HB3 LYS 68 3HB LYS 68 2.962 -1.547 -16.304 525 HG2 LYS 68 2HG LYS 68 3.247 0.263 -14.534 526 HG3 LYS 68 3HG LYS 68 1.788 -0.401 -13.794 527 HD2 LYS 68 2HD LYS 68 4.369 -1.869 -14.337 528 HD3 LYS 68 3HD LYS 68 3.743 -1.380 -12.760 529 HE2 LYS 68 2HE LYS 68 1.792 -2.843 -13.113 530 HE3 LYS 68 3HE LYS 68 2.475 -3.359 -14.654 531 HZ1 LYS 68 3HZ LYS 68 4.436 -4.160 -13.390 532 HZ2 LYS 68 1HZ LYS 68 3.005 -4.983 -13.018 533 HZ3 LYS 68 2HZ LYS 68 3.612 -3.818 -11.952 534 H VAL 69 H VAL 69 2.070 2.194 -15.310 535 HA VAL 69 HA VAL 69 3.979 3.363 -17.142 536 HB VAL 69 HB VAL 69 3.131 4.374 -14.425 537 HG11 VAL 69 1HG1 VAL 69 5.195 5.369 -15.242 538 HG12 VAL 69 2HG1 VAL 69 4.414 5.769 -16.773 539 HG13 VAL 69 3HG1 VAL 69 3.883 6.546 -15.282 540 HG21 VAL 69 3HG2 VAL 69 1.126 4.287 -15.609 541 HG22 VAL 69 1HG2 VAL 69 1.701 5.929 -15.902 542 HG23 VAL 69 2HG2 VAL 69 1.901 4.690 -17.141 543 H VAL 70 H VAL 70 6.090 3.011 -17.074 544 HA VAL 70 HA VAL 70 7.300 2.174 -14.518 545 HB VAL 70 HB VAL 70 8.893 0.826 -15.716 546 HG11 VAL 70 1HG1 VAL 70 6.896 -0.344 -15.179 547 HG12 VAL 70 2HG1 VAL 70 6.043 0.347 -16.561 548 HG13 VAL 70 3HG1 VAL 70 7.343 -0.817 -16.818 549 HG21 VAL 70 3HG2 VAL 70 8.717 0.534 -18.179 550 HG22 VAL 70 1HG2 VAL 70 7.554 1.860 -18.212 551 HG23 VAL 70 2HG2 VAL 70 9.214 2.155 -17.695 552 H GLY 71 H GLY 71 7.553 4.164 -17.378 553 HA2 GLY 71 2HA GLY 71 9.720 5.657 -16.062 554 HA3 GLY 71 3HA GLY 71 9.906 5.166 -17.739 555 H ILE 72 H ILE 72 9.708 7.844 -16.363 556 HA ILE 72 HA ILE 72 7.734 8.971 -18.214 557 HB ILE 72 HB ILE 72 7.963 9.744 -15.303 558 HG12 ILE 72 2HG1 ILE 72 5.548 8.679 -16.765 559 HG13 ILE 72 3HG1 ILE 72 6.681 7.628 -15.921 560 HG21 ILE 72 1HG2 ILE 72 5.964 11.208 -15.941 561 HG22 ILE 72 2HG2 ILE 72 7.566 11.749 -16.438 562 HG23 ILE 72 3HG2 ILE 72 6.494 10.980 -17.608 563 HD11 ILE 72 3HD1 ILE 72 4.649 9.479 -14.855 564 HD12 ILE 72 1HD1 ILE 72 5.192 7.912 -14.254 565 HD13 ILE 72 2HD1 ILE 72 6.162 9.355 -13.957 566 H SER 73 H SER 73 9.005 10.083 -19.560 567 HA SER 73 HA SER 73 11.191 11.694 -18.436 568 HB2 SER 73 2HB SER 73 10.805 11.156 -21.371 569 HB3 SER 73 3HB SER 73 12.290 11.555 -20.507 570 HG SER 73 HG SER 73 11.949 9.452 -19.422 571 H GLU 74 H GLU 74 11.561 13.537 -20.411 572 HA GLU 74 HA GLU 74 9.249 15.269 -20.008 573 HB2 GLU 74 2HB GLU 74 10.745 17.067 -20.812 574 HB3 GLU 74 3HB GLU 74 11.407 16.203 -19.432 575 HG2 GLU 74 2HG GLU 74 12.906 14.975 -20.850 576 HG3 GLU 74 3HG GLU 74 12.171 15.673 -22.293 577 H GLY 75 H GLY 75 10.640 13.319 -22.427 578 HA2 GLY 75 2HA GLY 75 8.798 14.489 -24.405 579 HA3 GLY 75 3HA GLY 75 10.469 14.176 -24.848 580 H LYS 76 H LYS 76 9.147 11.929 -22.658 581 HA LYS 76 HA LYS 76 7.889 10.172 -24.494 582 HB2 LYS 76 2HB LYS 76 9.614 8.404 -24.532 583 HB3 LYS 76 3HB LYS 76 10.134 9.866 -25.359 584 HG2 LYS 76 2HG LYS 76 10.857 9.487 -22.494 585 HG3 LYS 76 3HG LYS 76 11.745 8.604 -23.738 586 HD2 LYS 76 2HD LYS 76 11.794 11.042 -24.834 587 HD3 LYS 76 3HD LYS 76 11.686 11.505 -23.134 588 HE2 LYS 76 2HE LYS 76 14.007 11.366 -23.811 589 HE3 LYS 76 3HE LYS 76 13.641 10.094 -22.647 590 HZ1 LYS 76 3HZ LYS 76 14.651 9.843 -25.262 591 HZ2 LYS 76 1HZ LYS 76 13.156 9.054 -25.178 592 HZ3 LYS 76 2HZ LYS 76 14.396 8.634 -24.107 593 H ILE 77 H ILE 77 6.988 8.370 -23.482 594 HA ILE 77 HA ILE 77 7.446 8.175 -20.578 595 HB ILE 77 HB ILE 77 4.785 7.988 -21.996 596 HG12 ILE 77 2HG1 ILE 77 5.495 9.948 -19.837 597 HG13 ILE 77 3HG1 ILE 77 5.932 10.281 -21.509 598 HG21 ILE 77 1HG2 ILE 77 5.664 6.849 -19.538 599 HG22 ILE 77 2HG2 ILE 77 4.496 8.122 -19.188 600 HG23 ILE 77 3HG2 ILE 77 4.060 6.799 -20.269 601 HD11 ILE 77 3HD1 ILE 77 3.780 11.288 -20.724 602 HD12 ILE 77 1HD1 ILE 77 3.666 10.308 -22.185 603 HD13 ILE 77 2HD1 ILE 77 3.129 9.652 -20.638 604 H ASP 78 H ASP 78 8.210 6.245 -20.062 605 HA ASP 78 HA ASP 78 7.875 3.994 -21.860 606 HB2 ASP 78 2HB ASP 78 9.283 3.953 -19.194 607 HB3 ASP 78 3HB ASP 78 9.544 2.899 -20.580 608 H VAL 79 H VAL 79 6.407 2.440 -21.643 609 HA VAL 79 HA VAL 79 5.285 1.843 -19.014 610 HB VAL 79 HB VAL 79 2.997 1.977 -19.730 611 HG11 VAL 79 1HG1 VAL 79 2.723 4.292 -19.760 612 HG12 VAL 79 2HG1 VAL 79 4.304 4.072 -19.007 613 HG13 VAL 79 3HG1 VAL 79 4.191 4.550 -20.702 614 HG21 VAL 79 3HG2 VAL 79 4.189 2.554 -22.422 615 HG22 VAL 79 1HG2 VAL 79 2.992 1.338 -21.974 616 HG23 VAL 79 2HG2 VAL 79 2.541 3.043 -22.026 617 H ILE 80 H ILE 80 4.466 -0.241 -18.809 618 HA ILE 80 HA ILE 80 5.244 -2.061 -20.974 619 HB ILE 80 HB ILE 80 5.006 -2.354 -18.019 620 HG12 ILE 80 2HG1 ILE 80 7.178 -1.966 -19.182 621 HG13 ILE 80 3HG1 ILE 80 7.138 -3.468 -18.264 622 HG21 ILE 80 1HG2 ILE 80 3.547 -4.100 -18.629 623 HG22 ILE 80 2HG2 ILE 80 4.547 -4.560 -20.006 624 HG23 ILE 80 3HG2 ILE 80 5.113 -4.865 -18.364 625 HD11 ILE 80 3HD1 ILE 80 6.276 -3.987 -20.929 626 HD12 ILE 80 1HD1 ILE 80 7.797 -3.096 -20.971 627 HD13 ILE 80 2HD1 ILE 80 7.685 -4.610 -20.072 628 H GLU 81 H GLU 81 3.693 -2.758 -22.275 629 HA GLU 81 HA GLU 81 0.944 -2.924 -21.242 630 HB2 GLU 81 2HB GLU 81 1.901 -2.776 -24.106 631 HB3 GLU 81 3HB GLU 81 0.223 -2.814 -23.584 632 HG2 GLU 81 2HG GLU 81 0.200 -0.639 -23.063 633 HG3 GLU 81 3HG GLU 81 1.820 -0.683 -22.370 634 H ILE 82 H ILE 82 -0.380 -4.722 -21.923 635 HA ILE 82 HA ILE 82 1.189 -7.188 -22.122 636 HB ILE 82 HB ILE 82 -1.757 -6.958 -21.521 637 HG12 ILE 82 2HG1 ILE 82 -0.504 -5.692 -19.843 638 HG13 ILE 82 3HG1 ILE 82 -1.145 -7.175 -19.145 639 HG21 ILE 82 1HG2 ILE 82 -0.858 -9.149 -22.295 640 HG22 ILE 82 2HG2 ILE 82 0.196 -9.160 -20.882 641 HG23 ILE 82 3HG2 ILE 82 -1.555 -9.189 -20.676 642 HD11 ILE 82 3HD1 ILE 82 1.016 -8.218 -19.262 643 HD12 ILE 82 1HD1 ILE 82 1.682 -6.821 -20.107 644 HD13 ILE 82 2HD1 ILE 82 1.155 -6.669 -18.430 645 H VAL 83 H VAL 83 1.259 -8.328 -23.940 646 HA VAL 83 HA VAL 83 -0.914 -8.027 -25.898 647 HB VAL 83 HB VAL 83 0.750 -8.087 -27.734 648 HG11 VAL 83 1HG1 VAL 83 1.464 -5.755 -27.531 649 HG12 VAL 83 2HG1 VAL 83 -0.208 -5.965 -27.009 650 HG13 VAL 83 3HG1 VAL 83 1.075 -5.785 -25.812 651 HG21 VAL 83 3HG2 VAL 83 2.726 -7.784 -25.477 652 HG22 VAL 83 1HG2 VAL 83 2.614 -9.116 -26.627 653 HG23 VAL 83 2HG2 VAL 83 3.109 -7.515 -27.177 654 HA PRO 84 HA PRO 84 -0.865 -12.412 -26.147 655 HB2 PRO 84 2HB PRO 84 -1.684 -12.784 -28.709 656 HB3 PRO 84 3HB PRO 84 -2.767 -12.234 -27.425 657 HG2 PRO 84 2HG PRO 84 -1.360 -10.637 -29.531 658 HG3 PRO 84 3HG PRO 84 -3.029 -10.497 -28.949 659 HD2 PRO 84 2HD PRO 84 -1.057 -8.831 -28.132 660 HD3 PRO 84 3HD PRO 84 -2.411 -9.296 -27.082 661 H ASP 85 H ASP 85 0.229 -14.210 -27.059 662 HA ASP 85 HA ASP 85 2.787 -13.499 -28.266 663 HB2 ASP 85 2HB ASP 85 2.722 -14.975 -26.268 664 HB3 ASP 85 3HB ASP 85 1.841 -16.172 -27.213 665 H GLY 86 H GLY 86 -0.213 -15.026 -29.068 666 HA2 GLY 86 2HA GLY 86 -0.604 -14.992 -31.550 667 HA3 GLY 86 3HA GLY 86 0.923 -15.853 -31.668 668 H GLU 87 H GLU 87 -0.025 -17.235 -29.045 669 HA GLU 87 HA GLU 87 -1.655 -19.264 -30.424 670 HB2 GLU 87 2HB GLU 87 -0.729 -20.792 -28.582 671 HB3 GLU 87 3HB GLU 87 0.370 -20.303 -29.864 672 HG2 GLU 87 2HG GLU 87 1.328 -18.601 -28.416 673 HG3 GLU 87 3HG GLU 87 0.208 -19.052 -27.132 674 H GLY 88 H GLY 88 -1.266 -17.387 -27.477 675 HA2 GLY 88 2HA GLY 88 -3.877 -17.025 -26.844 676 HA3 GLY 88 3HA GLY 88 -3.531 -18.611 -26.171 677 H ASN 89 H ASN 89 -0.706 -17.777 -25.632 678 HA ASN 89 HA ASN 89 -1.191 -16.720 -23.000 679 HB2 ASN 89 2HB ASN 89 1.524 -17.142 -24.234 680 HB3 ASN 89 3HB ASN 89 1.067 -17.227 -22.535 681 HD21 ASN 89 1HD2 ASN 89 1.287 -18.904 -25.519 682 HD22 ASN 89 2HD2 ASN 89 0.791 -20.454 -24.938 683 H TRP 90 H TRP 90 -0.096 -14.852 -22.120 684 HA TRP 90 HA TRP 90 0.185 -12.717 -24.125 685 HB2 TRP 90 2HB TRP 90 -0.436 -12.486 -21.172 686 HB3 TRP 90 3HB TRP 90 -0.363 -11.152 -22.320 687 HD1 TRP 90 HD1 TRP 90 -2.548 -14.166 -21.377 688 HE1 TRP 90 HE1 TRP 90 -4.897 -13.808 -22.364 689 HE3 TRP 90 HE3 TRP 90 -1.634 -9.966 -24.146 690 HZ2 TRP 90 HZ2 TRP 90 -6.192 -11.987 -24.089 691 HZ3 TRP 90 HZ3 TRP 90 -3.482 -8.979 -25.437 692 HH2 TRP 90 HH2 TRP 90 -5.713 -9.971 -25.408 693 H LEU 91 H LEU 91 1.738 -10.968 -23.560 694 HA LEU 91 HA LEU 91 3.951 -11.749 -21.845 695 HB2 LEU 91 2HB LEU 91 4.095 -11.588 -24.820 696 HB3 LEU 91 3HB LEU 91 5.490 -11.092 -23.864 697 HG LEU 91 HG LEU 91 4.210 -13.814 -23.663 698 HD11 LEU 91 1HD1 LEU 91 6.666 -14.124 -24.869 699 HD12 LEU 91 2HD1 LEU 91 5.990 -12.710 -25.678 700 HD13 LEU 91 3HD1 LEU 91 5.095 -14.230 -25.664 701 HD21 LEU 91 3HD2 LEU 91 6.329 -14.406 -22.585 702 HD22 LEU 91 1HD2 LEU 91 5.483 -13.133 -21.704 703 HD23 LEU 91 2HD2 LEU 91 6.865 -12.731 -22.724 704 H GLU 92 H GLU 92 5.619 -9.993 -21.730 705 HA GLU 92 HA GLU 92 4.303 -7.479 -21.352 706 HB2 GLU 92 2HB GLU 92 6.491 -6.695 -20.559 707 HB3 GLU 92 3HB GLU 92 6.038 -8.218 -19.807 708 HG2 GLU 92 2HG GLU 92 7.529 -9.432 -21.251 709 HG3 GLU 92 3HG GLU 92 7.909 -7.963 -22.148 710 H ARG 93 H ARG 93 4.664 -5.532 -22.412 711 HA ARG 93 HA ARG 93 6.249 -5.614 -24.877 712 HB2 ARG 93 2HB ARG 93 3.765 -6.074 -25.290 713 HB3 ARG 93 3HB ARG 93 3.493 -4.400 -24.823 714 HG2 ARG 93 2HG ARG 93 3.586 -4.549 -27.213 715 HG3 ARG 93 3HG ARG 93 5.013 -3.686 -26.634 716 HD2 ARG 93 2HD ARG 93 6.420 -5.518 -27.034 717 HD3 ARG 93 3HD ARG 93 5.066 -6.641 -27.153 718 HE ARG 93 HE ARG 93 5.023 -4.613 -29.177 719 HH11 ARG 93 1HH1 ARG 93 6.348 -7.706 -28.281 720 HH12 ARG 93 2HH1 ARG 93 6.630 -8.205 -29.916 721 HH21 ARG 93 1HH2 ARG 93 5.390 -5.259 -31.334 722 HH22 ARG 93 2HH2 ARG 93 6.086 -6.812 -31.652 723 HA PRO 94 HA PRO 94 7.289 -1.825 -22.552 724 HB2 PRO 94 2HB PRO 94 9.830 -1.697 -23.502 725 HB3 PRO 94 3HB PRO 94 9.367 -2.709 -22.128 726 HG2 PRO 94 2HG PRO 94 9.771 -3.474 -24.994 727 HG3 PRO 94 3HG PRO 94 10.292 -4.321 -23.526 728 HD2 PRO 94 2HD PRO 94 8.100 -5.061 -24.933 729 HD3 PRO 94 3HD PRO 94 8.213 -5.250 -23.172 730 H ARG 95 H ARG 95 6.142 -0.260 -23.592 731 HA ARG 95 HA ARG 95 7.156 0.618 -26.217 732 HB2 ARG 95 2HB ARG 95 4.388 0.295 -25.182 733 HB3 ARG 95 3HB ARG 95 4.699 1.677 -26.225 734 HG2 ARG 95 2HG ARG 95 5.803 -0.118 -27.773 735 HG3 ARG 95 3HG ARG 95 4.789 -1.231 -26.852 736 HD2 ARG 95 2HD ARG 95 2.820 -0.252 -27.597 737 HD3 ARG 95 3HD ARG 95 3.621 1.257 -28.034 738 HE ARG 95 HE ARG 95 4.090 0.368 -30.089 739 HH11 ARG 95 1HH1 ARG 95 3.201 -2.201 -27.914 740 HH12 ARG 95 2HH1 ARG 95 3.160 -3.412 -29.153 741 HH21 ARG 95 1HH2 ARG 95 4.039 -1.217 -31.729 742 HH22 ARG 95 2HH2 ARG 95 3.637 -2.851 -31.322 743 H SER 96 H SER 96 7.398 2.822 -26.576 744 HA SER 96 HA SER 96 7.271 4.496 -24.154 745 HB2 SER 96 2HB SER 96 9.040 5.683 -26.009 746 HB3 SER 96 3HB SER 96 9.449 4.908 -24.479 747 HG SER 96 HG SER 96 9.464 2.896 -25.694 748 H LEU 97 H LEU 97 5.895 6.136 -24.218 749 HA LEU 97 HA LEU 97 4.724 6.912 -26.778 750 HB2 LEU 97 2HB LEU 97 3.873 7.990 -24.121 751 HB3 LEU 97 3HB LEU 97 2.924 7.778 -25.591 752 HG LEU 97 HG LEU 97 3.809 5.631 -23.668 753 HD11 LEU 97 1HD1 LEU 97 1.184 6.920 -24.329 754 HD12 LEU 97 2HD1 LEU 97 1.945 6.697 -22.754 755 HD13 LEU 97 3HD1 LEU 97 1.270 5.311 -23.612 756 HD21 LEU 97 3HD2 LEU 97 3.927 4.475 -25.646 757 HD22 LEU 97 1HD2 LEU 97 2.724 5.491 -26.440 758 HD23 LEU 97 2HD2 LEU 97 2.217 4.283 -25.259 759 H THR 98 H THR 98 5.925 8.386 -27.815 760 HA THR 98 HA THR 98 7.404 10.420 -26.413 761 HB THR 98 HB THR 98 8.214 11.127 -28.542 762 HG1 THR 98 HG1 THR 98 7.211 10.011 -30.462 763 HG21 THR 98 3HG2 THR 98 8.533 8.567 -27.626 764 HG22 THR 98 1HG2 THR 98 9.452 9.293 -28.943 765 HG23 THR 98 2HG2 THR 98 8.036 8.302 -29.297 766 H LEU 99 H LEU 99 7.097 12.680 -26.612 767 HA LEU 99 HA LEU 99 4.538 13.619 -26.194 768 HB2 LEU 99 2HB LEU 99 6.992 14.702 -26.039 769 HB3 LEU 99 3HB LEU 99 6.413 15.489 -27.506 770 HG LEU 99 HG LEU 99 4.370 16.157 -26.083 771 HD11 LEU 99 1HD1 LEU 99 5.961 14.753 -24.142 772 HD12 LEU 99 2HD1 LEU 99 4.325 15.397 -24.000 773 HD13 LEU 99 3HD1 LEU 99 5.712 16.428 -23.651 774 HD21 LEU 99 3HD2 LEU 99 5.477 18.165 -25.353 775 HD22 LEU 99 1HD2 LEU 99 6.143 17.679 -26.912 776 HD23 LEU 99 2HD2 LEU 99 7.052 17.374 -25.432 777 H LYS 100 H LYS 100 2.893 14.335 -27.435 778 HA LYS 100 HA LYS 100 2.556 13.489 -30.040 779 HB2 LYS 100 2HB LYS 100 0.603 14.873 -30.127 780 HB3 LYS 100 3HB LYS 100 0.754 14.265 -28.483 781 HG2 LYS 100 2HG LYS 100 1.673 16.390 -27.756 782 HG3 LYS 100 3HG LYS 100 1.597 17.005 -29.409 783 HD2 LYS 100 2HD LYS 100 -0.838 16.750 -29.389 784 HD3 LYS 100 3HD LYS 100 -0.761 16.130 -27.738 785 HE2 LYS 100 2HE LYS 100 -1.321 18.380 -27.470 786 HE3 LYS 100 3HE LYS 100 0.417 18.336 -27.173 787 HZ1 LYS 100 3HZ LYS 100 0.542 18.865 -29.693 788 HZ2 LYS 100 1HZ LYS 100 0.217 20.109 -28.594 789 HZ3 LYS 100 2HZ LYS 100 -1.043 19.417 -29.484 790 H GLU 101 H GLU 101 2.711 14.447 -32.063 791 HA GLU 101 HA GLU 101 3.496 17.115 -32.523 792 HB2 GLU 101 2HB GLU 101 5.807 16.682 -33.343 793 HB3 GLU 101 3HB GLU 101 5.630 16.490 -31.604 794 HG2 GLU 101 2HG GLU 101 5.501 14.059 -31.898 795 HG3 GLU 101 3HG GLU 101 5.728 14.269 -33.633 796 H ARG 102 H ARG 102 4.471 17.279 -34.875 797 HA ARG 102 HA ARG 102 2.549 16.363 -36.649 798 HB2 ARG 102 2HB ARG 102 4.276 16.914 -38.432 799 HB3 ARG 102 3HB ARG 102 3.863 18.210 -37.317 800 HG2 ARG 102 2HG ARG 102 5.894 17.933 -36.114 801 HG3 ARG 102 3HG ARG 102 6.269 16.440 -36.978 802 HD2 ARG 102 2HD ARG 102 6.712 17.587 -38.982 803 HD3 ARG 102 3HD ARG 102 5.938 19.062 -38.404 804 HE ARG 102 HE ARG 102 8.187 18.330 -36.808 805 HH11 ARG 102 1HH1 ARG 102 7.238 19.860 -39.787 806 HH12 ARG 102 2HH1 ARG 102 8.659 20.847 -39.885 807 HH21 ARG 102 1HH2 ARG 102 10.062 19.623 -36.925 808 HH22 ARG 102 2HH2 ARG 102 10.265 20.711 -38.257 809 H SER 103 H SER 103 2.127 14.424 -37.454 810 HA SER 103 HA SER 103 4.124 12.665 -38.438 811 HB2 SER 103 2HB SER 103 3.703 10.784 -36.853 812 HB3 SER 103 3HB SER 103 4.512 12.157 -36.099 813 HG SER 103 HG SER 103 2.340 11.013 -35.271 814 H LEU 104 H LEU 104 3.044 10.390 -38.843 815 HA LEU 104 HA LEU 104 0.234 10.252 -39.096 816 HB2 LEU 104 2HB LEU 104 0.030 10.422 -41.519 817 HB3 LEU 104 3HB LEU 104 0.570 11.940 -40.804 818 HG LEU 104 HG LEU 104 2.570 10.040 -41.962 819 HD11 LEU 104 1HD1 LEU 104 0.548 11.616 -43.428 820 HD12 LEU 104 2HD1 LEU 104 1.413 10.153 -43.899 821 HD13 LEU 104 3HD1 LEU 104 2.210 11.722 -44.012 822 HD21 LEU 104 3HD2 LEU 104 3.664 11.767 -40.904 823 HD22 LEU 104 1HD2 LEU 104 2.408 12.944 -41.291 824 HD23 LEU 104 2HD2 LEU 104 3.523 12.399 -42.545 825 H GLU 105 H GLU 105 -0.460 8.226 -39.759 826 HA GLU 105 HA GLU 105 1.243 6.351 -41.061 827 HB2 GLU 105 2HB GLU 105 1.321 4.744 -39.107 828 HB3 GLU 105 3HB GLU 105 2.381 6.142 -38.992 829 HG2 GLU 105 2HG GLU 105 0.836 7.236 -37.490 830 HG3 GLU 105 3HG GLU 105 -0.304 5.902 -37.656 831 H HIS 106 H HIS 106 0.203 4.304 -41.432 832 HA HIS 106 HA HIS 106 -2.631 4.567 -41.724 833 HB2 HIS 106 2HB HIS 106 -0.836 2.183 -42.223 834 HB3 HIS 106 3HB HIS 106 -2.512 2.326 -42.743 835 HD1 HIS 106 HD1 HIS 106 -2.759 4.829 -44.185 836 HD2 HIS 106 HD2 HIS 106 0.777 2.652 -44.324 837 HE1 HIS 106 HE1 HIS 106 -1.579 5.597 -46.268 838 H HIS 107 H HIS 107 -3.997 2.521 -41.143 839 HA HIS 107 HA HIS 107 -3.715 2.167 -38.257 840 HB2 HIS 107 2HB HIS 107 -5.883 2.937 -39.298 841 HB3 HIS 107 3HB HIS 107 -6.033 1.332 -40.005 842 HD1 HIS 107 HD1 HIS 107 -7.675 0.035 -38.706 843 HD2 HIS 107 HD2 HIS 107 -5.330 2.435 -36.255 844 HE1 HIS 107 HE1 HIS 107 -8.433 -0.457 -36.359 845 H HIS 108 H HIS 108 -3.958 0.087 -37.269 846 HA HIS 108 HA HIS 108 -2.690 -2.015 -38.836 847 HB2 HIS 108 2HB HIS 108 -1.957 -1.340 -36.485 848 HB3 HIS 108 3HB HIS 108 -3.418 -2.140 -35.911 849 HD1 HIS 108 HD1 HIS 108 -1.213 -3.479 -38.666 850 HD2 HIS 108 HD2 HIS 108 -2.198 -4.294 -34.713 851 HE1 HIS 108 HE1 HIS 108 -0.168 -5.709 -38.159 852 H HIS 109 H HIS 109 -3.494 -4.197 -38.841 853 HA HIS 109 HA HIS 109 -6.345 -4.291 -39.236 854 HB2 HIS 109 2HB HIS 109 -4.432 -5.520 -40.553 855 HB3 HIS 109 3HB HIS 109 -4.612 -6.733 -39.289 856 HD1 HIS 109 HD1 HIS 109 -5.835 -8.585 -40.402 857 HD2 HIS 109 HD2 HIS 109 -7.521 -4.880 -41.235 858 HE1 HIS 109 HE1 HIS 109 -7.930 -9.077 -41.703 859 H HIS 110 H HIS 110 -4.095 -6.211 -37.237 860 HA HIS 110 HA HIS 110 -6.214 -7.308 -35.660 861 HB2 HIS 110 2HB HIS 110 -4.139 -8.554 -36.037 862 HB3 HIS 110 3HB HIS 110 -3.224 -7.308 -35.194 863 HD1 HIS 110 HD1 HIS 110 -3.553 -7.163 -32.593 864 HD2 HIS 110 HD2 HIS 110 -5.390 -10.413 -34.417 865 HE1 HIS 110 HE1 HIS 110 -4.138 -8.741 -30.724 866 H HIS 111 H HIS 111 -7.122 -6.526 -33.869 867 HA HIS 111 HA HIS 111 -5.872 -4.178 -32.601 868 HB2 HIS 111 2HB HIS 111 -8.070 -3.393 -32.017 869 HB3 HIS 111 3HB HIS 111 -8.065 -3.771 -33.737 870 HD1 HIS 111 HD1 HIS 111 -9.931 -4.372 -30.708 871 HD2 HIS 111 HD2 HIS 111 -9.280 -6.424 -34.261 872 HE1 HIS 111 HE1 HIS 111 -11.770 -6.081 -30.844 Start of MODEL 2 1 H1 ASP 1 H ASP 1 7.674 -14.806 -33.861 2 HA ASP 1 HA ASP 1 10.429 -14.932 -32.876 3 HB2 ASP 1 2HB ASP 1 9.208 -12.804 -33.835 4 HB3 ASP 1 3HB ASP 1 8.556 -12.698 -32.202 5 H LEU 2 H LEU 2 9.052 -16.948 -31.813 6 HA LEU 2 HA LEU 2 7.991 -16.092 -29.228 7 HB2 LEU 2 2HB LEU 2 8.033 -18.732 -30.666 8 HB3 LEU 2 3HB LEU 2 7.521 -18.576 -28.987 9 HG LEU 2 HG LEU 2 6.199 -16.988 -31.162 10 HD11 LEU 2 1HD1 LEU 2 5.426 -19.761 -30.268 11 HD12 LEU 2 2HD1 LEU 2 6.137 -19.353 -31.829 12 HD13 LEU 2 3HD1 LEU 2 4.542 -18.736 -31.399 13 HD21 LEU 2 3HD2 LEU 2 4.476 -16.696 -29.629 14 HD22 LEU 2 1HD2 LEU 2 5.926 -16.584 -28.632 15 HD23 LEU 2 2HD2 LEU 2 4.981 -18.074 -28.649 16 H THR 3 H THR 3 9.755 -15.510 -28.026 17 HA THR 3 HA THR 3 11.463 -17.706 -27.146 18 HB THR 3 HB THR 3 12.599 -15.073 -28.107 19 HG1 THR 3 HG1 THR 3 12.868 -16.106 -29.925 20 HG21 THR 3 3HG2 THR 3 13.846 -15.825 -26.202 21 HG22 THR 3 1HG2 THR 3 14.789 -16.194 -27.645 22 HG23 THR 3 2HG2 THR 3 13.898 -17.475 -26.822 23 H VAL 4 H VAL 4 11.844 -17.655 -25.009 24 HA VAL 4 HA VAL 4 10.478 -15.843 -23.345 25 HB VAL 4 HB VAL 4 11.097 -18.147 -22.669 26 HG11 VAL 4 1HG1 VAL 4 13.844 -17.163 -22.017 27 HG12 VAL 4 2HG1 VAL 4 13.259 -18.818 -22.201 28 HG13 VAL 4 3HG1 VAL 4 13.492 -17.801 -23.623 29 HG21 VAL 4 3HG2 VAL 4 10.655 -16.108 -21.090 30 HG22 VAL 4 1HG2 VAL 4 11.212 -17.644 -20.426 31 HG23 VAL 4 2HG2 VAL 4 12.354 -16.322 -20.669 32 H ARG 5 H ARG 5 11.239 -14.216 -21.965 33 HA ARG 5 HA ARG 5 13.946 -13.361 -21.906 34 HB2 ARG 5 2HB ARG 5 13.129 -12.659 -24.233 35 HB3 ARG 5 3HB ARG 5 12.121 -11.486 -23.396 36 HG2 ARG 5 2HG ARG 5 13.984 -10.245 -23.925 37 HG3 ARG 5 3HG ARG 5 14.337 -10.754 -22.272 38 HD2 ARG 5 2HD ARG 5 16.328 -11.215 -23.341 39 HD3 ARG 5 3HD ARG 5 15.503 -12.770 -23.432 40 HE ARG 5 HE ARG 5 14.991 -11.143 -25.720 41 HH11 ARG 5 1HH1 ARG 5 17.312 -13.288 -24.260 42 HH12 ARG 5 2HH1 ARG 5 18.013 -13.768 -25.769 43 HH21 ARG 5 1HH2 ARG 5 15.906 -11.767 -27.714 44 HH22 ARG 5 2HH2 ARG 5 17.213 -12.901 -27.733 45 H GLN 6 H GLN 6 14.291 -12.066 -20.181 46 HA GLN 6 HA GLN 6 13.891 -10.877 -18.285 47 HB2 GLN 6 2HB GLN 6 11.307 -10.019 -19.588 48 HB3 GLN 6 3HB GLN 6 12.182 -9.189 -18.308 49 HG2 GLN 6 2HG GLN 6 14.100 -9.122 -20.090 50 HG3 GLN 6 3HG GLN 6 12.765 -9.335 -21.221 51 HE21 GLN 6 1HE2 GLN 6 11.579 -7.620 -21.769 52 HE22 GLN 6 2HE2 GLN 6 11.712 -6.051 -21.057 53 H LYS 7 H LYS 7 13.166 -13.572 -18.293 54 HA LYS 7 HA LYS 7 10.558 -13.980 -17.224 55 HB2 LYS 7 2HB LYS 7 11.841 -15.767 -18.339 56 HB3 LYS 7 3HB LYS 7 13.014 -15.733 -17.029 57 HG2 LYS 7 2HG LYS 7 11.688 -17.530 -16.465 58 HG3 LYS 7 3HG LYS 7 10.976 -16.225 -15.513 59 HD2 LYS 7 2HD LYS 7 9.089 -16.124 -16.812 60 HD3 LYS 7 3HD LYS 7 9.917 -16.723 -18.251 61 HE2 LYS 7 2HE LYS 7 10.101 -18.943 -16.999 62 HE3 LYS 7 3HE LYS 7 8.913 -18.274 -15.882 63 HZ1 LYS 7 3HZ LYS 7 7.670 -17.788 -18.138 64 HZ2 LYS 7 1HZ LYS 7 7.530 -19.279 -17.350 65 HZ3 LYS 7 2HZ LYS 7 8.585 -19.111 -18.661 66 H GLY 8 H GLY 8 9.833 -13.868 -15.180 67 HA2 GLY 8 2HA GLY 8 11.710 -13.897 -12.953 68 HA3 GLY 8 3HA GLY 8 10.822 -12.400 -13.190 69 H ASN 9 H ASN 9 9.522 -12.395 -11.432 70 HA ASN 9 HA ASN 9 8.325 -14.554 -10.191 71 HB2 ASN 9 2HB ASN 9 8.425 -12.042 -9.509 72 HB3 ASN 9 3HB ASN 9 6.899 -11.917 -10.379 73 HD21 ASN 9 1HD2 ASN 9 8.531 -13.717 -7.820 74 HD22 ASN 9 2HD2 ASN 9 7.112 -14.016 -6.881 75 H LYS 10 H LYS 10 5.860 -14.861 -10.060 76 HA LYS 10 HA LYS 10 4.803 -15.037 -12.806 77 HB2 LYS 10 2HB LYS 10 4.447 -16.883 -10.445 78 HB3 LYS 10 3HB LYS 10 3.444 -16.973 -11.887 79 HG2 LYS 10 2HG LYS 10 6.437 -17.157 -12.007 80 HG3 LYS 10 3HG LYS 10 5.409 -18.567 -11.743 81 HD2 LYS 10 2HD LYS 10 4.398 -18.362 -13.852 82 HD3 LYS 10 3HD LYS 10 4.972 -16.706 -14.060 83 HE2 LYS 10 2HE LYS 10 6.228 -18.284 -15.450 84 HE3 LYS 10 3HE LYS 10 7.261 -17.503 -14.254 85 HZ1 LYS 10 3HZ LYS 10 6.042 -20.080 -13.574 86 HZ2 LYS 10 1HZ LYS 10 7.524 -19.426 -13.087 87 HZ3 LYS 10 2HZ LYS 10 7.355 -20.072 -14.640 88 H VAL 11 H VAL 11 2.270 -15.432 -12.633 89 HA VAL 11 HA VAL 11 0.918 -14.011 -10.554 90 HB VAL 11 HB VAL 11 1.994 -12.255 -12.214 91 HG11 VAL 11 1HG1 VAL 11 0.763 -13.500 -14.127 92 HG12 VAL 11 2HG1 VAL 11 -0.649 -12.597 -13.573 93 HG13 VAL 11 3HG1 VAL 11 0.790 -11.737 -14.122 94 HG21 VAL 11 3HG2 VAL 11 0.676 -10.778 -11.155 95 HG22 VAL 11 1HG2 VAL 11 -0.806 -11.545 -11.727 96 HG23 VAL 11 2HG2 VAL 11 0.035 -12.191 -10.317 97 H ILE 12 H ILE 12 -1.454 -13.532 -11.357 98 HA ILE 12 HA ILE 12 -2.329 -15.921 -12.844 99 HB ILE 12 HB ILE 12 -4.534 -15.538 -11.629 100 HG12 ILE 12 2HG1 ILE 12 -2.826 -13.994 -9.682 101 HG13 ILE 12 3HG1 ILE 12 -3.799 -13.189 -10.909 102 HG21 ILE 12 1HG2 ILE 12 -2.078 -16.312 -10.061 103 HG22 ILE 12 2HG2 ILE 12 -3.736 -16.676 -9.587 104 HG23 ILE 12 3HG2 ILE 12 -3.069 -17.371 -11.064 105 HD11 ILE 12 3HD1 ILE 12 -4.884 -15.062 -8.820 106 HD12 ILE 12 1HD1 ILE 12 -4.890 -13.303 -8.704 107 HD13 ILE 12 2HD1 ILE 12 -5.813 -14.107 -9.974 108 H LYS 13 H LYS 13 -4.129 -15.733 -14.254 109 HA LYS 13 HA LYS 13 -4.101 -13.577 -15.984 110 HB2 LYS 13 2HB LYS 13 -6.400 -14.443 -16.698 111 HB3 LYS 13 3HB LYS 13 -5.052 -15.568 -16.795 112 HG2 LYS 13 2HG LYS 13 -5.791 -16.815 -14.993 113 HG3 LYS 13 3HG LYS 13 -6.777 -15.496 -14.357 114 HD2 LYS 13 2HD LYS 13 -7.366 -16.854 -16.978 115 HD3 LYS 13 3HD LYS 13 -8.027 -17.418 -15.442 116 HE2 LYS 13 2HE LYS 13 -9.082 -15.248 -15.089 117 HE3 LYS 13 3HE LYS 13 -8.391 -14.654 -16.598 118 HZ1 LYS 13 3HZ LYS 13 -9.989 -15.629 -17.780 119 HZ2 LYS 13 1HZ LYS 13 -10.826 -15.819 -16.322 120 HZ3 LYS 13 2HZ LYS 13 -9.880 -17.084 -16.925 121 HA PRO 14 HA PRO 14 -6.467 -10.352 -14.179 122 HB2 PRO 14 2HB PRO 14 -7.737 -9.321 -16.346 123 HB3 PRO 14 3HB PRO 14 -6.006 -9.110 -16.056 124 HG2 PRO 14 2HG PRO 14 -7.403 -11.059 -17.848 125 HG3 PRO 14 3HG PRO 14 -5.947 -10.096 -18.161 126 HD2 PRO 14 2HD PRO 14 -5.842 -12.712 -17.471 127 HD3 PRO 14 3HD PRO 14 -4.583 -11.550 -17.005 128 H ASP 15 H ASP 15 -8.725 -9.442 -14.034 129 HA ASP 15 HA ASP 15 -10.783 -11.485 -14.508 130 HB2 ASP 15 2HB ASP 15 -9.964 -10.265 -11.920 131 HB3 ASP 15 3HB ASP 15 -11.686 -10.523 -12.186 132 H GLU 16 H GLU 16 -12.962 -10.662 -14.560 133 HA GLU 16 HA GLU 16 -13.042 -7.919 -15.569 134 HB2 GLU 16 2HB GLU 16 -15.219 -8.529 -16.511 135 HB3 GLU 16 3HB GLU 16 -13.970 -9.662 -17.009 136 HG2 GLU 16 2HG GLU 16 -15.560 -10.328 -14.597 137 HG3 GLU 16 3HG GLU 16 -16.343 -10.461 -16.171 138 H THR 17 H THR 17 -12.878 -8.526 -12.706 139 HA THR 17 HA THR 17 -15.482 -7.486 -11.803 140 HB THR 17 HB THR 17 -15.005 -8.363 -9.607 141 HG1 THR 17 HG1 THR 17 -12.978 -9.739 -9.519 142 HG21 THR 17 3HG2 THR 17 -15.291 -9.970 -11.921 143 HG22 THR 17 1HG2 THR 17 -15.803 -10.333 -10.273 144 HG23 THR 17 2HG2 THR 17 -14.199 -10.815 -10.825 145 H ARG 18 H ARG 18 -12.081 -6.878 -11.977 146 HA ARG 18 HA ARG 18 -11.930 -4.875 -9.969 147 HB2 ARG 18 2HB ARG 18 -10.169 -5.197 -12.405 148 HB3 ARG 18 3HB ARG 18 -9.775 -4.324 -10.930 149 HG2 ARG 18 2HG ARG 18 -9.628 -6.324 -9.675 150 HG3 ARG 18 3HG ARG 18 -10.352 -7.272 -10.976 151 HD2 ARG 18 2HD ARG 18 -8.390 -6.748 -12.391 152 HD3 ARG 18 3HD ARG 18 -7.663 -5.908 -11.021 153 HE ARG 18 HE ARG 18 -7.767 -8.734 -11.451 154 HH11 ARG 18 1HH1 ARG 18 -7.646 -6.247 -9.018 155 HH12 ARG 18 2HH1 ARG 18 -6.917 -7.269 -7.824 156 HH21 ARG 18 1HH2 ARG 18 -6.807 -10.090 -9.888 157 HH22 ARG 18 2HH2 ARG 18 -6.439 -9.454 -8.320 158 H VAL 19 H VAL 19 -10.805 -2.675 -11.079 159 HA VAL 19 HA VAL 19 -13.109 -1.348 -12.211 160 HB VAL 19 HB VAL 19 -11.855 -0.175 -10.508 161 HG11 VAL 19 1HG1 VAL 19 -9.636 -0.189 -10.380 162 HG12 VAL 19 2HG1 VAL 19 -9.617 -1.251 -11.790 163 HG13 VAL 19 3HG1 VAL 19 -9.485 0.495 -11.998 164 HG21 VAL 19 3HG2 VAL 19 -11.614 1.944 -11.578 165 HG22 VAL 19 1HG2 VAL 19 -11.338 1.185 -13.146 166 HG23 VAL 19 2HG2 VAL 19 -12.928 1.089 -12.387 167 H LYS 20 H LYS 20 -13.393 -0.716 -14.268 168 HA LYS 20 HA LYS 20 -11.165 -1.136 -16.152 169 HB2 LYS 20 2HB LYS 20 -14.079 -1.442 -16.858 170 HB3 LYS 20 3HB LYS 20 -12.680 -1.941 -17.799 171 HG2 LYS 20 2HG LYS 20 -13.267 -3.960 -16.967 172 HG3 LYS 20 3HG LYS 20 -12.243 -3.421 -15.635 173 HD2 LYS 20 2HD LYS 20 -14.119 -2.789 -14.330 174 HD3 LYS 20 3HD LYS 20 -15.214 -2.943 -15.705 175 HE2 LYS 20 2HE LYS 20 -14.959 -5.323 -15.722 176 HE3 LYS 20 3HE LYS 20 -13.675 -5.245 -14.517 177 HZ1 LYS 20 3HZ LYS 20 -16.352 -4.191 -13.889 178 HZ2 LYS 20 1HZ LYS 20 -15.160 -4.774 -12.839 179 HZ3 LYS 20 2HZ LYS 20 -16.054 -5.853 -13.785 180 H GLN 21 H GLN 21 -10.604 1.094 -15.875 181 HA GLN 21 HA GLN 21 -12.257 3.283 -16.183 182 HB2 GLN 21 2HB GLN 21 -9.437 2.777 -16.197 183 HB3 GLN 21 3HB GLN 21 -9.821 3.911 -17.485 184 HG2 GLN 21 2HG GLN 21 -9.479 5.363 -15.773 185 HG3 GLN 21 3HG GLN 21 -11.210 5.085 -15.589 186 HE21 GLN 21 1HE2 GLN 21 -11.965 4.060 -13.799 187 HE22 GLN 21 2HE2 GLN 21 -10.970 3.607 -12.461 188 H PHE 22 H PHE 22 -12.776 4.636 -17.943 189 HA PHE 22 HA PHE 22 -13.709 3.376 -20.228 190 HB2 PHE 22 2HB PHE 22 -14.595 5.516 -19.595 191 HB3 PHE 22 3HB PHE 22 -13.015 6.277 -19.751 192 HD1 PHE 22 HD1 PHE 22 -15.734 4.654 -21.664 193 HD2 PHE 22 HD2 PHE 22 -12.298 7.162 -21.798 194 HE1 PHE 22 HE1 PHE 22 -16.251 5.231 -24.000 195 HE2 PHE 22 HE2 PHE 22 -12.809 7.744 -24.133 196 HZ PHE 22 HZ PHE 22 -14.788 6.779 -25.237 197 H LEU 23 H LEU 23 -10.628 4.984 -19.652 198 HA LEU 23 HA LEU 23 -9.751 4.740 -22.376 199 HB2 LEU 23 2HB LEU 23 -8.265 5.403 -19.840 200 HB3 LEU 23 3HB LEU 23 -7.553 5.450 -21.452 201 HG LEU 23 HG LEU 23 -8.045 7.681 -20.927 202 HD11 LEU 23 1HD1 LEU 23 -9.631 8.334 -22.574 203 HD12 LEU 23 2HD1 LEU 23 -10.454 6.777 -22.490 204 HD13 LEU 23 3HD1 LEU 23 -8.829 6.880 -23.168 205 HD21 LEU 23 3HD2 LEU 23 -9.658 6.891 -19.039 206 HD22 LEU 23 1HD2 LEU 23 -10.902 7.112 -20.269 207 HD23 LEU 23 2HD2 LEU 23 -9.887 8.471 -19.788 208 H GLU 24 H GLU 24 -9.366 2.913 -19.404 209 HA GLU 24 HA GLU 24 -7.270 1.232 -20.174 210 HB2 GLU 24 2HB GLU 24 -9.522 0.999 -18.218 211 HB3 GLU 24 3HB GLU 24 -8.529 -0.413 -18.554 212 HG2 GLU 24 2HG GLU 24 -6.553 0.728 -17.826 213 HG3 GLU 24 3HG GLU 24 -7.440 2.241 -17.651 214 H GLY 25 H GLY 25 -10.541 1.350 -21.216 215 HA2 GLY 25 2HA GLY 25 -10.884 -1.346 -22.007 216 HA3 GLY 25 3HA GLY 25 -11.778 0.031 -22.632 217 H PHE 26 H PHE 26 -8.947 1.142 -23.301 218 HA PHE 26 HA PHE 26 -8.747 -0.275 -25.874 219 HB2 PHE 26 2HB PHE 26 -7.821 2.537 -25.270 220 HB3 PHE 26 3HB PHE 26 -7.940 1.771 -26.851 221 HD1 PHE 26 HD2 PHE 26 -9.875 3.141 -24.032 222 HD2 PHE 26 HD1 PHE 26 -9.987 1.709 -28.039 223 HE1 PHE 26 HE2 PHE 26 -12.162 4.014 -24.277 224 HE2 PHE 26 HE1 PHE 26 -12.274 2.581 -28.290 225 HZ PHE 26 HZ PHE 26 -13.365 3.734 -26.407 226 H ASN 27 H ASN 27 -6.517 -0.146 -26.876 227 HA ASN 27 HA ASN 27 -4.665 -1.437 -25.204 228 HB2 ASN 27 2HB ASN 27 -4.736 -0.488 -27.990 229 HB3 ASN 27 3HB ASN 27 -3.124 -0.555 -27.283 230 HD21 ASN 27 1HD2 ASN 27 -2.758 -2.201 -28.902 231 HD22 ASN 27 2HD2 ASN 27 -3.238 -3.829 -28.577 232 H ILE 28 H ILE 28 -2.504 -0.736 -24.627 233 HA ILE 28 HA ILE 28 -2.530 1.957 -23.563 234 HB ILE 28 HB ILE 28 -1.727 0.086 -22.177 235 HG12 ILE 28 2HG1 ILE 28 0.360 1.172 -21.392 236 HG13 ILE 28 3HG1 ILE 28 0.382 2.148 -22.857 237 HG21 ILE 28 1HG2 ILE 28 0.837 -0.069 -23.643 238 HG22 ILE 28 2HG2 ILE 28 -0.027 -1.307 -22.732 239 HG23 ILE 28 3HG2 ILE 28 -0.548 -0.888 -24.364 240 HD11 ILE 28 3HD1 ILE 28 -0.872 3.658 -21.852 241 HD12 ILE 28 1HD1 ILE 28 -2.157 2.465 -21.656 242 HD13 ILE 28 2HD1 ILE 28 -0.933 2.657 -20.401 243 H GLU 29 H GLU 29 -1.080 0.229 -26.192 244 HA GLU 29 HA GLU 29 1.009 2.146 -26.671 245 HB2 GLU 29 2HB GLU 29 1.497 0.860 -28.652 246 HB3 GLU 29 3HB GLU 29 1.202 -0.245 -27.316 247 HG2 GLU 29 2HG GLU 29 -0.947 -0.809 -28.142 248 HG3 GLU 29 3HG GLU 29 -0.902 0.493 -29.329 249 H THR 30 H THR 30 -2.294 1.721 -27.633 250 HA THR 30 HA THR 30 -2.334 3.248 -29.983 251 HB THR 30 HB THR 30 -4.753 3.595 -29.503 252 HG1 THR 30 HG1 THR 30 -5.608 2.754 -27.602 253 HG21 THR 30 3HG2 THR 30 -3.498 0.882 -29.338 254 HG22 THR 30 1HG2 THR 30 -4.377 1.626 -30.673 255 HG23 THR 30 2HG2 THR 30 -5.251 1.053 -29.252 256 H PHE 31 H PHE 31 -2.022 4.180 -26.683 257 HA PHE 31 HA PHE 31 -2.891 6.902 -27.087 258 HB2 PHE 31 2HB PHE 31 -1.338 5.819 -24.736 259 HB3 PHE 31 3HB PHE 31 -2.365 7.249 -24.783 260 HD1 PHE 31 HD1 PHE 31 -4.683 6.025 -26.287 261 HD2 PHE 31 HD2 PHE 31 -2.377 4.635 -22.990 262 HE1 PHE 31 HE1 PHE 31 -6.594 4.677 -25.523 263 HE2 PHE 31 HE2 PHE 31 -4.284 3.284 -22.222 264 HZ PHE 31 HZ PHE 31 -6.396 3.303 -23.489 265 H GLU 32 H GLU 32 -1.584 8.742 -27.094 266 HA GLU 32 HA GLU 32 1.294 8.276 -27.496 267 HB2 GLU 32 2HB GLU 32 -0.498 10.074 -29.137 268 HB3 GLU 32 3HB GLU 32 1.256 10.042 -29.250 269 HG2 GLU 32 2HG GLU 32 1.274 7.893 -30.171 270 HG3 GLU 32 3HG GLU 32 -0.391 7.578 -29.686 271 H MET 33 H MET 33 2.487 9.414 -26.129 272 HA MET 33 HA MET 33 1.526 11.159 -24.221 273 HB2 MET 33 2HB MET 33 3.813 10.003 -24.369 274 HB3 MET 33 3HB MET 33 4.313 11.383 -25.337 275 HG2 MET 33 2HG MET 33 3.053 11.834 -22.674 276 HG3 MET 33 3HG MET 33 4.742 11.340 -22.772 277 HE1 MET 33 3HE MET 33 5.467 13.027 -21.557 278 HE2 MET 33 1HE MET 33 6.305 14.321 -22.416 279 HE3 MET 33 2HE MET 33 4.797 14.659 -21.566 280 H VAL 34 H VAL 34 1.126 13.302 -24.097 281 HA VAL 34 HA VAL 34 1.674 14.926 -26.496 282 HB VAL 34 HB VAL 34 -0.389 16.187 -26.035 283 HG11 VAL 34 1HG1 VAL 34 -0.255 14.099 -27.519 284 HG12 VAL 34 2HG1 VAL 34 -1.119 13.282 -26.215 285 HG13 VAL 34 3HG1 VAL 34 -1.854 14.663 -27.031 286 HG21 VAL 34 3HG2 VAL 34 -0.580 15.821 -23.652 287 HG22 VAL 34 1HG2 VAL 34 -2.044 15.253 -24.456 288 HG23 VAL 34 2HG2 VAL 34 -0.833 14.094 -23.907 289 H GLY 35 H GLY 35 1.428 14.812 -22.993 290 HA2 GLY 35 2HA GLY 35 3.371 16.906 -22.724 291 HA3 GLY 35 3HA GLY 35 1.759 17.430 -22.261 292 H THR 36 H THR 36 3.410 17.647 -20.291 293 HA THR 36 HA THR 36 2.602 15.561 -18.447 294 HB THR 36 HB THR 36 5.148 15.663 -17.614 295 HG1 THR 36 HG1 THR 36 5.164 16.354 -20.325 296 HG21 THR 36 3HG2 THR 36 4.152 13.826 -19.794 297 HG22 THR 36 1HG2 THR 36 3.838 13.632 -18.071 298 HG23 THR 36 2HG2 THR 36 5.485 13.498 -18.687 299 H LEU 37 H LEU 37 2.115 16.411 -16.522 300 HA LEU 37 HA LEU 37 2.914 19.187 -16.007 301 HB2 LEU 37 2HB LEU 37 0.454 18.025 -15.932 302 HB3 LEU 37 3HB LEU 37 0.932 17.941 -14.237 303 HG LEU 37 HG LEU 37 -0.429 19.930 -14.767 304 HD11 LEU 37 1HD1 LEU 37 2.220 21.074 -14.136 305 HD12 LEU 37 2HD1 LEU 37 1.657 19.761 -13.103 306 HD13 LEU 37 3HD1 LEU 37 0.684 21.221 -13.282 307 HD21 LEU 37 3HD2 LEU 37 0.507 20.181 -17.093 308 HD22 LEU 37 1HD2 LEU 37 1.939 20.897 -16.352 309 HD23 LEU 37 2HD2 LEU 37 0.366 21.673 -16.162 310 H SER 38 H SER 38 3.755 19.821 -14.008 311 HA SER 38 HA SER 38 4.296 17.893 -11.944 312 HB2 SER 38 2HB SER 38 6.085 17.497 -13.714 313 HB3 SER 38 3HB SER 38 6.698 19.103 -13.318 314 HG SER 38 HG SER 38 7.444 18.377 -11.470 315 H ASN 39 H ASN 39 3.737 19.071 -10.237 316 HA ASN 39 HA ASN 39 5.098 21.603 -9.765 317 HB2 ASN 39 2HB ASN 39 2.971 22.724 -9.128 318 HB3 ASN 39 3HB ASN 39 3.052 22.328 -10.842 319 HD21 ASN 39 1HD2 ASN 39 0.651 22.790 -10.208 320 HD22 ASN 39 2HD2 ASN 39 -0.291 21.374 -9.903 321 H ALA 40 H ALA 40 4.067 22.452 -7.492 322 HA ALA 40 HA ALA 40 5.068 20.778 -5.529 323 HB1 ALA 40 1HB ALA 40 3.832 22.214 -3.921 324 HB2 ALA 40 2HB ALA 40 4.770 23.121 -5.109 325 HB3 ALA 40 3HB ALA 40 3.021 22.977 -5.290 326 H GLN 41 H GLN 41 1.892 20.864 -6.965 327 HA GLN 41 HA GLN 41 0.531 19.368 -4.984 328 HB2 GLN 41 2HB GLN 41 -0.107 19.524 -7.934 329 HB3 GLN 41 3HB GLN 41 -1.212 19.081 -6.640 330 HG2 GLN 41 2HG GLN 41 -0.625 21.452 -5.720 331 HG3 GLN 41 3HG GLN 41 -0.146 21.758 -7.389 332 HE21 GLN 41 1HE2 GLN 41 -1.873 23.345 -7.311 333 HE22 GLN 41 2HE2 GLN 41 -3.496 22.839 -7.617 334 H GLY 42 H GLY 42 2.501 18.486 -7.741 335 HA2 GLY 42 2HA GLY 42 3.465 16.125 -7.045 336 HA3 GLY 42 3HA GLY 42 1.817 15.662 -7.443 337 H THR 43 H THR 43 3.065 14.283 -8.993 338 HA THR 43 HA THR 43 3.760 15.785 -11.430 339 HB THR 43 HB THR 43 4.506 12.922 -11.233 340 HG1 THR 43 HG1 THR 43 5.499 13.228 -9.389 341 HG21 THR 43 3HG2 THR 43 5.056 14.379 -13.171 342 HG22 THR 43 1HG2 THR 43 6.478 13.678 -12.401 343 HG23 THR 43 2HG2 THR 43 6.055 15.364 -12.103 344 H PHE 44 H PHE 44 2.437 15.625 -13.113 345 HA PHE 44 HA PHE 44 0.621 13.308 -13.255 346 HB2 PHE 44 2HB PHE 44 -0.035 16.065 -14.292 347 HB3 PHE 44 3HB PHE 44 -1.128 14.701 -14.082 348 HD1 PHE 44 HD1 PHE 44 0.775 17.320 -12.345 349 HD2 PHE 44 HD2 PHE 44 -2.113 14.216 -11.968 350 HE1 PHE 44 HE1 PHE 44 0.185 18.147 -10.104 351 HE2 PHE 44 HE2 PHE 44 -2.708 15.039 -9.727 352 HZ PHE 44 HZ PHE 44 -1.560 17.006 -8.792 353 H ALA 45 H ALA 45 0.021 12.598 -15.368 354 HA ALA 45 HA ALA 45 1.950 13.386 -17.454 355 HB1 ALA 45 1HB ALA 45 0.915 10.803 -18.001 356 HB2 ALA 45 2HB ALA 45 2.572 11.264 -17.609 357 HB3 ALA 45 3HB ALA 45 1.449 10.833 -16.320 358 H LEU 46 H LEU 46 1.189 13.894 -19.440 359 HA LEU 46 HA LEU 46 -1.728 13.754 -19.822 360 HB2 LEU 46 2HB LEU 46 0.118 15.631 -21.264 361 HB3 LEU 46 3HB LEU 46 -1.634 15.730 -21.094 362 HG LEU 46 HG LEU 46 0.436 16.280 -18.972 363 HD11 LEU 46 1HD1 LEU 46 -0.613 17.909 -20.949 364 HD12 LEU 46 2HD1 LEU 46 0.200 18.433 -19.474 365 HD13 LEU 46 3HD1 LEU 46 -1.559 18.307 -19.515 366 HD21 LEU 46 3HD2 LEU 46 -1.661 16.987 -17.672 367 HD22 LEU 46 1HD2 LEU 46 -1.293 15.266 -17.777 368 HD23 LEU 46 2HD2 LEU 46 -2.543 15.964 -18.807 369 H VAL 47 H VAL 47 -2.366 12.299 -21.254 370 HA VAL 47 HA VAL 47 -0.668 11.790 -23.607 371 HB VAL 47 HB VAL 47 -0.588 9.929 -21.892 372 HG11 VAL 47 1HG1 VAL 47 -3.104 8.775 -22.769 373 HG12 VAL 47 2HG1 VAL 47 -2.435 8.928 -21.143 374 HG13 VAL 47 3HG1 VAL 47 -3.330 10.269 -21.859 375 HG21 VAL 47 3HG2 VAL 47 -1.740 9.133 -24.561 376 HG22 VAL 47 1HG2 VAL 47 -0.079 9.679 -24.328 377 HG23 VAL 47 2HG2 VAL 47 -0.640 8.201 -23.544 378 H LYS 48 H LYS 48 -1.819 10.983 -25.482 379 HA LYS 48 HA LYS 48 -4.648 11.810 -25.507 380 HB2 LYS 48 2HB LYS 48 -3.372 13.376 -26.805 381 HB3 LYS 48 3HB LYS 48 -2.537 12.078 -27.649 382 HG2 LYS 48 2HG LYS 48 -4.699 11.404 -28.652 383 HG3 LYS 48 3HG LYS 48 -5.448 12.808 -27.888 384 HD2 LYS 48 2HD LYS 48 -3.732 14.220 -29.090 385 HD3 LYS 48 3HD LYS 48 -3.303 12.772 -30.003 386 HE2 LYS 48 2HE LYS 48 -5.538 12.609 -30.884 387 HE3 LYS 48 3HE LYS 48 -6.079 13.940 -29.863 388 HZ1 LYS 48 3HZ LYS 48 -3.849 14.693 -31.464 389 HZ2 LYS 48 1HZ LYS 48 -5.378 15.409 -31.350 390 HZ3 LYS 48 2HZ LYS 48 -5.121 14.129 -32.425 391 H GLY 49 H GLY 49 -6.127 10.528 -26.579 392 HA2 GLY 49 2HA GLY 49 -5.551 8.431 -28.332 393 HA3 GLY 49 3HA GLY 49 -5.578 7.761 -26.707 394 H ALA 50 H ALA 50 -7.411 6.559 -26.829 395 HA ALA 50 HA ALA 50 -9.773 7.149 -28.125 396 HB1 ALA 50 1HB ALA 50 -9.842 5.748 -25.485 397 HB2 ALA 50 2HB ALA 50 -10.732 5.394 -26.967 398 HB3 ALA 50 3HB ALA 50 -9.013 5.013 -26.858 399 H GLY 51 H GLY 51 -11.147 8.783 -27.919 400 HA2 GLY 51 2HA GLY 51 -12.761 10.010 -26.672 401 HA3 GLY 51 3HA GLY 51 -11.787 9.768 -25.229 402 H GLY 52 H GLY 52 -9.289 10.547 -26.492 403 HA2 GLY 52 2HA GLY 52 -8.803 12.729 -27.781 404 HA3 GLY 52 3HA GLY 52 -9.760 13.453 -26.497 405 H VAL 53 H VAL 53 -8.798 13.973 -24.613 406 HA VAL 53 HA VAL 53 -5.971 13.194 -24.306 407 HB VAL 53 HB VAL 53 -5.852 15.294 -22.844 408 HG11 VAL 53 1HG1 VAL 53 -5.331 16.689 -24.721 409 HG12 VAL 53 2HG1 VAL 53 -4.876 15.032 -25.124 410 HG13 VAL 53 3HG1 VAL 53 -6.358 15.726 -25.784 411 HG21 VAL 53 3HG2 VAL 53 -7.475 17.045 -23.342 412 HG22 VAL 53 1HG2 VAL 53 -8.376 15.931 -24.370 413 HG23 VAL 53 2HG2 VAL 53 -8.269 15.639 -22.634 414 H HIS 54 H HIS 54 -5.270 12.387 -22.383 415 HA HIS 54 HA HIS 54 -7.234 12.171 -20.202 416 HB2 HIS 54 2HB HIS 54 -5.348 9.918 -20.496 417 HB3 HIS 54 3HB HIS 54 -7.053 9.912 -20.053 418 HD1 HIS 54 HD1 HIS 54 -5.026 8.598 -22.547 419 HD2 HIS 54 HD2 HIS 54 -8.585 10.740 -22.646 420 HE1 HIS 54 HE1 HIS 54 -6.052 8.095 -24.788 421 H ARG 55 H ARG 55 -6.417 12.226 -18.113 422 HA ARG 55 HA ARG 55 -3.558 12.910 -17.893 423 HB2 ARG 55 2HB ARG 55 -4.109 14.460 -16.112 424 HB3 ARG 55 3HB ARG 55 -5.036 14.862 -17.552 425 HG2 ARG 55 2HG ARG 55 -6.971 13.652 -16.572 426 HG3 ARG 55 3HG ARG 55 -6.029 13.438 -15.095 427 HD2 ARG 55 2HD ARG 55 -6.262 15.599 -14.477 428 HD3 ARG 55 3HD ARG 55 -6.180 16.191 -16.135 429 HE ARG 55 HE ARG 55 -8.614 14.793 -15.565 430 HH11 ARG 55 1HH1 ARG 55 -6.978 17.857 -15.329 431 HH12 ARG 55 2HH1 ARG 55 -8.441 18.783 -15.293 432 HH21 ARG 55 1HH2 ARG 55 -10.548 16.002 -15.519 433 HH22 ARG 55 2HH2 ARG 55 -10.472 17.727 -15.400 434 H VAL 56 H VAL 56 -2.395 11.654 -16.594 435 HA VAL 56 HA VAL 56 -3.677 10.303 -14.340 436 HB VAL 56 HB VAL 56 -2.424 8.183 -14.948 437 HG11 VAL 56 1HG1 VAL 56 -4.567 8.894 -16.933 438 HG12 VAL 56 2HG1 VAL 56 -4.228 7.326 -16.198 439 HG13 VAL 56 3HG1 VAL 56 -4.909 8.629 -15.224 440 HG21 VAL 56 3HG2 VAL 56 -2.533 8.735 -17.795 441 HG22 VAL 56 1HG2 VAL 56 -1.377 9.770 -16.957 442 HG23 VAL 56 2HG2 VAL 56 -1.242 8.016 -16.833 443 H ARG 57 H ARG 57 -2.427 10.268 -12.571 444 HA ARG 57 HA ARG 57 0.335 11.220 -12.843 445 HB2 ARG 57 2HB ARG 57 0.193 11.841 -10.497 446 HB3 ARG 57 3HB ARG 57 -1.163 12.524 -11.384 447 HG2 ARG 57 2HG ARG 57 -2.672 10.942 -10.479 448 HG3 ARG 57 3HG ARG 57 -1.357 9.964 -9.825 449 HD2 ARG 57 2HD ARG 57 -0.748 11.950 -8.397 450 HD3 ARG 57 3HD ARG 57 -2.261 12.689 -8.921 451 HE ARG 57 HE ARG 57 -2.810 10.132 -7.915 452 HH11 ARG 57 1HH1 ARG 57 -1.742 13.258 -6.817 453 HH12 ARG 57 2HH1 ARG 57 -2.403 13.070 -5.227 454 HH21 ARG 57 1HH2 ARG 57 -3.684 9.872 -5.825 455 HH22 ARG 57 2HH2 ARG 57 -3.507 11.143 -4.663 456 H VAL 58 H VAL 58 1.712 10.376 -10.845 457 HA VAL 58 HA VAL 58 2.403 7.755 -11.340 458 HB VAL 58 HB VAL 58 3.912 9.220 -10.160 459 HG11 VAL 58 1HG1 VAL 58 3.244 10.543 -8.508 460 HG12 VAL 58 2HG1 VAL 58 1.640 9.813 -8.591 461 HG13 VAL 58 3HG1 VAL 58 2.861 9.143 -7.508 462 HG21 VAL 58 3HG2 VAL 58 4.894 7.589 -8.942 463 HG22 VAL 58 1HG2 VAL 58 3.434 7.259 -8.009 464 HG23 VAL 58 2HG2 VAL 58 3.610 6.597 -9.634 465 H GLY 59 H GLY 59 1.397 5.895 -10.986 466 HA2 GLY 59 2HA GLY 59 0.528 4.331 -9.332 467 HA3 GLY 59 3HA GLY 59 -0.344 5.676 -8.612 468 H ASP 60 H ASP 60 -1.238 6.764 -11.149 469 HA ASP 60 HA ASP 60 -3.683 5.427 -11.398 470 HB2 ASP 60 2HB ASP 60 -2.264 7.461 -13.095 471 HB3 ASP 60 3HB ASP 60 -3.797 6.769 -13.618 472 H TYR 61 H TYR 61 -4.546 4.501 -13.469 473 HA TYR 61 HA TYR 61 -2.517 2.853 -14.824 474 HB2 TYR 61 2HB TYR 61 -5.280 1.921 -14.026 475 HB3 TYR 61 3HB TYR 61 -4.028 0.957 -14.800 476 HD1 TYR 61 HD2 TYR 61 -5.081 2.557 -11.662 477 HD2 TYR 61 HD1 TYR 61 -2.199 0.045 -13.529 478 HE1 TYR 61 HE2 TYR 61 -4.243 1.883 -9.449 479 HE2 TYR 61 HE1 TYR 61 -1.354 -0.637 -11.322 480 HH TYR 61 HH TYR 61 -1.773 0.922 -8.631 481 H LEU 62 H LEU 62 -2.824 2.458 -16.997 482 HA LEU 62 HA LEU 62 -5.223 3.477 -18.299 483 HB2 LEU 62 2HB LEU 62 -3.026 5.094 -18.108 484 HB3 LEU 62 3HB LEU 62 -2.770 4.307 -19.664 485 HG LEU 62 HG LEU 62 -5.293 5.067 -20.028 486 HD11 LEU 62 1HD1 LEU 62 -6.018 6.843 -18.827 487 HD12 LEU 62 2HD1 LEU 62 -4.392 7.463 -18.548 488 HD13 LEU 62 3HD1 LEU 62 -4.996 6.112 -17.590 489 HD21 LEU 62 3HD2 LEU 62 -3.650 7.388 -20.447 490 HD22 LEU 62 1HD2 LEU 62 -4.315 6.257 -21.626 491 HD23 LEU 62 2HD2 LEU 62 -2.762 5.921 -20.860 492 H GLY 63 H GLY 63 -5.670 2.517 -20.268 493 HA2 GLY 63 2HA GLY 63 -5.282 1.151 -22.130 494 HA3 GLY 63 3HA GLY 63 -3.700 0.749 -21.477 495 H ARG 64 H ARG 64 -5.332 -1.190 -22.573 496 HA ARG 64 HA ARG 64 -6.899 -2.535 -20.617 497 HB2 ARG 64 2HB ARG 64 -5.937 -3.094 -23.359 498 HB3 ARG 64 3HB ARG 64 -6.298 -4.501 -22.369 499 HG2 ARG 64 2HG ARG 64 -8.552 -3.539 -21.938 500 HG3 ARG 64 3HG ARG 64 -8.169 -2.260 -23.093 501 HD2 ARG 64 2HD ARG 64 -9.485 -4.123 -24.070 502 HD3 ARG 64 3HD ARG 64 -7.937 -3.856 -24.870 503 HE ARG 64 HE ARG 64 -7.256 -5.933 -24.179 504 HH11 ARG 64 1HH1 ARG 64 -10.115 -5.012 -22.419 505 HH12 ARG 64 2HH1 ARG 64 -10.331 -6.572 -21.697 506 HH21 ARG 64 1HH2 ARG 64 -7.529 -7.991 -23.234 507 HH22 ARG 64 2HH2 ARG 64 -8.859 -8.266 -22.160 508 H ASN 65 H ASN 65 -3.533 -2.374 -21.262 509 HA ASN 65 HA ASN 65 -2.893 -4.880 -19.969 510 HB2 ASN 65 2HB ASN 65 -1.053 -2.628 -20.804 511 HB3 ASN 65 3HB ASN 65 -0.568 -4.260 -20.354 512 HD21 ASN 65 1HD2 ASN 65 -2.265 -5.846 -21.671 513 HD22 ASN 65 2HD2 ASN 65 -2.122 -5.625 -23.378 514 H ASP 66 H ASP 66 -4.006 -2.081 -18.799 515 HA ASP 66 HA ASP 66 -4.051 -1.118 -16.738 516 HB2 ASP 66 2HB ASP 66 -2.385 -3.389 -15.679 517 HB3 ASP 66 3HB ASP 66 -3.622 -2.451 -14.847 518 H GLY 67 H GLY 67 -2.118 -0.199 -18.473 519 HA2 GLY 67 2HA GLY 67 0.513 -0.156 -17.574 520 HA3 GLY 67 3HA GLY 67 -0.251 1.135 -18.490 521 H LYS 68 H LYS 68 0.905 0.119 -15.431 522 HA LYS 68 HA LYS 68 -0.356 2.281 -13.968 523 HB2 LYS 68 2HB LYS 68 -0.008 0.126 -12.861 524 HB3 LYS 68 3HB LYS 68 1.727 0.259 -13.119 525 HG2 LYS 68 2HG LYS 68 1.547 2.438 -11.763 526 HG3 LYS 68 3HG LYS 68 -0.022 1.811 -11.252 527 HD2 LYS 68 2HD LYS 68 1.559 1.147 -9.605 528 HD3 LYS 68 3HD LYS 68 1.167 -0.293 -10.549 529 HE2 LYS 68 2HE LYS 68 3.211 -0.058 -11.820 530 HE3 LYS 68 3HE LYS 68 3.583 1.457 -10.997 531 HZ1 LYS 68 3HZ LYS 68 3.166 -0.518 -9.059 532 HZ2 LYS 68 1HZ LYS 68 4.597 0.309 -9.421 533 HZ3 LYS 68 2HZ LYS 68 4.238 -1.144 -10.208 534 H VAL 69 H VAL 69 0.443 4.265 -13.833 535 HA VAL 69 HA VAL 69 2.889 5.013 -15.046 536 HB VAL 69 HB VAL 69 1.157 6.577 -13.126 537 HG11 VAL 69 1HG1 VAL 69 3.353 7.484 -14.984 538 HG12 VAL 69 2HG1 VAL 69 2.266 8.556 -14.099 539 HG13 VAL 69 3HG1 VAL 69 3.386 7.513 -13.222 540 HG21 VAL 69 3HG2 VAL 69 0.832 5.833 -15.896 541 HG22 VAL 69 1HG2 VAL 69 -0.294 6.648 -14.811 542 HG23 VAL 69 2HG2 VAL 69 0.897 7.586 -15.711 543 H VAL 70 H VAL 70 4.886 4.931 -14.272 544 HA VAL 70 HA VAL 70 5.262 4.846 -11.348 545 HB VAL 70 HB VAL 70 7.096 3.352 -11.586 546 HG11 VAL 70 1HG1 VAL 70 4.495 2.675 -12.383 547 HG12 VAL 70 2HG1 VAL 70 5.579 1.832 -13.492 548 HG13 VAL 70 3HG1 VAL 70 5.741 1.599 -11.750 549 HG21 VAL 70 3HG2 VAL 70 7.454 2.503 -14.096 550 HG22 VAL 70 1HG2 VAL 70 6.960 4.164 -14.428 551 HG23 VAL 70 2HG2 VAL 70 8.361 3.849 -13.405 552 H GLY 71 H GLY 71 6.312 6.124 -14.414 553 HA2 GLY 71 2HA GLY 71 8.004 8.044 -12.960 554 HA3 GLY 71 3HA GLY 71 8.655 7.204 -14.360 555 H ILE 72 H ILE 72 8.072 10.097 -13.782 556 HA ILE 72 HA ILE 72 6.593 10.611 -16.268 557 HB ILE 72 HB ILE 72 6.212 12.123 -13.681 558 HG12 ILE 72 2HG1 ILE 72 4.209 10.542 -15.303 559 HG13 ILE 72 3HG1 ILE 72 5.040 9.912 -13.885 560 HG21 ILE 72 1HG2 ILE 72 4.301 12.972 -15.487 561 HG22 ILE 72 2HG2 ILE 72 5.738 13.863 -14.989 562 HG23 ILE 72 3HG2 ILE 72 5.776 12.874 -16.449 563 HD11 ILE 72 3HD1 ILE 72 2.702 10.789 -13.536 564 HD12 ILE 72 1HD1 ILE 72 3.944 11.417 -12.453 565 HD13 ILE 72 2HD1 ILE 72 3.369 12.401 -13.800 566 H SER 73 H SER 73 7.824 11.713 -17.627 567 HA SER 73 HA SER 73 9.918 13.469 -16.527 568 HB2 SER 73 2HB SER 73 9.926 12.339 -19.320 569 HB3 SER 73 3HB SER 73 11.281 12.982 -18.392 570 HG SER 73 HG SER 73 9.861 10.578 -17.874 571 H GLU 74 H GLU 74 10.580 14.914 -18.739 572 HA GLU 74 HA GLU 74 8.250 16.647 -19.003 573 HB2 GLU 74 2HB GLU 74 9.830 18.309 -19.861 574 HB3 GLU 74 3HB GLU 74 10.364 17.666 -18.315 575 HG2 GLU 74 2HG GLU 74 12.000 16.282 -19.386 576 HG3 GLU 74 3HG GLU 74 11.392 16.725 -20.980 577 H GLY 75 H GLY 75 10.003 14.332 -20.806 578 HA2 GLY 75 2HA GLY 75 8.433 15.042 -23.195 579 HA3 GLY 75 3HA GLY 75 10.155 14.723 -23.343 580 H LYS 76 H LYS 76 8.636 12.847 -20.961 581 HA LYS 76 HA LYS 76 7.662 10.735 -22.601 582 HB2 LYS 76 2HB LYS 76 9.397 9.070 -22.091 583 HB3 LYS 76 3HB LYS 76 10.035 10.400 -23.048 584 HG2 LYS 76 2HG LYS 76 10.277 10.490 -20.078 585 HG3 LYS 76 3HG LYS 76 11.372 9.470 -21.014 586 HD2 LYS 76 2HD LYS 76 11.661 11.649 -22.452 587 HD3 LYS 76 3HD LYS 76 11.102 12.441 -20.977 588 HE2 LYS 76 2HE LYS 76 13.467 12.404 -20.865 589 HE3 LYS 76 3HE LYS 76 12.896 11.164 -19.750 590 HZ1 LYS 76 3HZ LYS 76 14.792 10.489 -21.199 591 HZ2 LYS 76 1HZ LYS 76 13.752 10.585 -22.530 592 HZ3 LYS 76 2HZ LYS 76 13.444 9.472 -21.295 593 H ILE 77 H ILE 77 6.843 8.954 -21.370 594 HA ILE 77 HA ILE 77 6.767 9.408 -18.463 595 HB ILE 77 HB ILE 77 4.402 8.685 -20.197 596 HG12 ILE 77 2HG1 ILE 77 4.425 11.066 -18.418 597 HG13 ILE 77 3HG1 ILE 77 5.395 11.157 -19.884 598 HG21 ILE 77 1HG2 ILE 77 4.151 7.500 -18.173 599 HG22 ILE 77 2HG2 ILE 77 4.732 8.860 -17.215 600 HG23 ILE 77 3HG2 ILE 77 3.158 8.947 -18.005 601 HD11 ILE 77 3HD1 ILE 77 3.332 10.489 -21.153 602 HD12 ILE 77 1HD1 ILE 77 2.434 10.729 -19.655 603 HD13 ILE 77 2HD1 ILE 77 3.289 12.082 -20.397 604 H ASP 78 H ASP 78 7.432 7.686 -17.381 605 HA ASP 78 HA ASP 78 7.603 5.111 -18.724 606 HB2 ASP 78 2HB ASP 78 8.669 6.133 -16.091 607 HB3 ASP 78 3HB ASP 78 8.817 4.451 -16.593 608 H VAL 79 H VAL 79 6.169 3.537 -18.467 609 HA VAL 79 HA VAL 79 4.623 3.376 -15.985 610 HB VAL 79 HB VAL 79 2.520 3.116 -17.101 611 HG11 VAL 79 1HG1 VAL 79 3.710 5.465 -16.805 612 HG12 VAL 79 2HG1 VAL 79 3.550 5.485 -18.563 613 HG13 VAL 79 3HG1 VAL 79 2.118 5.314 -17.547 614 HG21 VAL 79 3HG2 VAL 79 4.182 3.140 -19.593 615 HG22 VAL 79 1HG2 VAL 79 2.954 1.982 -19.082 616 HG23 VAL 79 2HG2 VAL 79 2.476 3.584 -19.642 617 H ILE 80 H ILE 80 3.820 1.304 -15.503 618 HA ILE 80 HA ILE 80 5.206 -0.846 -16.937 619 HB ILE 80 HB ILE 80 4.191 -0.550 -14.145 620 HG12 ILE 80 2HG1 ILE 80 6.580 -0.131 -14.838 621 HG13 ILE 80 3HG1 ILE 80 6.379 -1.324 -13.560 622 HG21 ILE 80 1HG2 ILE 80 4.576 -3.041 -13.876 623 HG22 ILE 80 2HG2 ILE 80 3.096 -2.560 -14.706 624 HG23 ILE 80 3HG2 ILE 80 4.477 -3.145 -15.633 625 HD11 ILE 80 3HD1 ILE 80 8.051 -1.933 -15.287 626 HD12 ILE 80 1HD1 ILE 80 6.760 -3.116 -15.084 627 HD13 ILE 80 2HD1 ILE 80 6.739 -2.015 -16.462 628 H GLU 81 H GLU 81 4.075 -1.948 -18.383 629 HA GLU 81 HA GLU 81 1.164 -2.179 -18.031 630 HB2 GLU 81 2HB GLU 81 2.798 -2.554 -20.547 631 HB3 GLU 81 3HB GLU 81 1.045 -2.598 -20.433 632 HG2 GLU 81 2HG GLU 81 0.865 -0.325 -20.169 633 HG3 GLU 81 3HG GLU 81 2.501 -0.161 -19.533 634 H ILE 82 H ILE 82 0.143 -4.200 -18.549 635 HA ILE 82 HA ILE 82 1.824 -6.480 -17.812 636 HB ILE 82 HB ILE 82 -1.187 -6.348 -17.984 637 HG12 ILE 82 2HG1 ILE 82 -0.271 -4.801 -16.282 638 HG13 ILE 82 3HG1 ILE 82 -1.174 -6.127 -15.559 639 HG21 ILE 82 1HG2 ILE 82 -1.022 -8.565 -17.846 640 HG22 ILE 82 2HG2 ILE 82 0.709 -8.489 -17.524 641 HG23 ILE 82 3HG2 ILE 82 -0.442 -8.324 -16.198 642 HD11 ILE 82 3HD1 ILE 82 0.576 -6.706 -14.344 643 HD12 ILE 82 1HD1 ILE 82 1.585 -6.847 -15.784 644 HD13 ILE 82 2HD1 ILE 82 1.428 -5.292 -14.965 645 H VAL 83 H VAL 83 2.384 -8.003 -19.224 646 HA VAL 83 HA VAL 83 0.832 -8.276 -21.709 647 HB VAL 83 HB VAL 83 2.877 -8.585 -22.998 648 HG11 VAL 83 1HG1 VAL 83 3.638 -6.289 -23.038 649 HG12 VAL 83 2HG1 VAL 83 1.892 -6.332 -22.784 650 HG13 VAL 83 3HG1 VAL 83 2.974 -6.011 -21.428 651 HG21 VAL 83 3HG2 VAL 83 4.370 -7.816 -20.492 652 HG22 VAL 83 1HG2 VAL 83 4.257 -9.455 -21.133 653 HG23 VAL 83 2HG2 VAL 83 5.068 -8.197 -22.066 654 HA PRO 84 HA PRO 84 0.878 -12.596 -20.914 655 HB2 PRO 84 2HB PRO 84 0.777 -13.574 -23.445 656 HB3 PRO 84 3HB PRO 84 -0.604 -12.801 -22.658 657 HG2 PRO 84 2HG PRO 84 1.342 -11.653 -24.621 658 HG3 PRO 84 3HG PRO 84 -0.420 -11.467 -24.553 659 HD2 PRO 84 2HD PRO 84 1.282 -9.566 -23.646 660 HD3 PRO 84 3HD PRO 84 -0.312 -9.848 -22.916 661 H ASP 85 H ASP 85 2.205 -14.417 -20.909 662 HA ASP 85 HA ASP 85 4.968 -13.907 -21.714 663 HB2 ASP 85 2HB ASP 85 4.292 -14.680 -19.364 664 HB3 ASP 85 3HB ASP 85 3.993 -16.255 -20.096 665 H GLY 86 H GLY 86 2.273 -16.023 -22.385 666 HA2 GLY 86 2HA GLY 86 2.348 -16.863 -24.753 667 HA3 GLY 86 3HA GLY 86 3.950 -17.462 -24.347 668 H GLU 87 H GLU 87 3.364 -18.432 -21.751 669 HA GLU 87 HA GLU 87 2.103 -20.927 -22.485 670 HB2 GLU 87 2HB GLU 87 3.110 -20.192 -19.744 671 HB3 GLU 87 3HB GLU 87 2.947 -21.793 -20.450 672 HG2 GLU 87 2HG GLU 87 4.675 -20.705 -22.190 673 HG3 GLU 87 3HG GLU 87 5.100 -19.806 -20.734 674 H GLY 88 H GLY 88 1.295 -18.055 -20.715 675 HA2 GLY 88 2HA GLY 88 -1.317 -18.002 -20.704 676 HA3 GLY 88 3HA GLY 88 -1.089 -19.328 -19.573 677 H ASN 89 H ASN 89 1.493 -17.694 -18.833 678 HA ASN 89 HA ASN 89 0.146 -16.184 -16.725 679 HB2 ASN 89 2HB ASN 89 2.278 -16.190 -15.575 680 HB3 ASN 89 3HB ASN 89 1.915 -17.826 -16.118 681 HD21 ASN 89 1HD2 ASN 89 3.134 -18.747 -17.747 682 HD22 ASN 89 2HD2 ASN 89 4.638 -18.077 -18.271 683 H TRP 90 H TRP 90 0.661 -14.022 -16.248 684 HA TRP 90 HA TRP 90 1.555 -12.502 -18.586 685 HB2 TRP 90 2HB TRP 90 0.134 -11.571 -16.080 686 HB3 TRP 90 3HB TRP 90 0.517 -10.565 -17.475 687 HD1 TRP 90 HD1 TRP 90 -1.729 -13.546 -16.498 688 HE1 TRP 90 HE1 TRP 90 -3.735 -13.602 -18.110 689 HE3 TRP 90 HE3 TRP 90 -0.307 -9.817 -19.693 690 HZ2 TRP 90 HZ2 TRP 90 -4.600 -12.245 -20.429 691 HZ3 TRP 90 HZ3 TRP 90 -1.780 -9.258 -21.583 692 HH2 TRP 90 HH2 TRP 90 -3.881 -10.449 -21.942 693 H LEU 91 H LEU 91 2.906 -10.578 -18.228 694 HA LEU 91 HA LEU 91 4.613 -10.690 -15.858 695 HB2 LEU 91 2HB LEU 91 5.396 -11.434 -18.568 696 HB3 LEU 91 3HB LEU 91 6.434 -10.201 -17.856 697 HG LEU 91 HG LEU 91 6.187 -12.141 -15.875 698 HD11 LEU 91 1HD1 LEU 91 5.257 -13.526 -17.853 699 HD12 LEU 91 2HD1 LEU 91 6.491 -14.234 -16.812 700 HD13 LEU 91 3HD1 LEU 91 6.937 -13.579 -18.387 701 HD21 LEU 91 3HD2 LEU 91 8.161 -10.759 -16.543 702 HD22 LEU 91 1HD2 LEU 91 8.417 -11.877 -17.883 703 HD23 LEU 91 2HD2 LEU 91 8.528 -12.454 -16.220 704 H GLU 92 H GLU 92 6.082 -8.778 -15.736 705 HA GLU 92 HA GLU 92 4.584 -6.398 -16.297 706 HB2 GLU 92 2HB GLU 92 6.362 -5.231 -15.113 707 HB3 GLU 92 3HB GLU 92 5.866 -6.658 -14.214 708 HG2 GLU 92 2HG GLU 92 7.817 -7.861 -15.206 709 HG3 GLU 92 3HG GLU 92 8.346 -6.320 -15.879 710 H ARG 93 H ARG 93 5.162 -4.673 -17.624 711 HA ARG 93 HA ARG 93 7.407 -5.060 -19.460 712 HB2 ARG 93 2HB ARG 93 4.641 -5.405 -20.164 713 HB3 ARG 93 3HB ARG 93 5.299 -4.021 -21.026 714 HG2 ARG 93 2HG ARG 93 6.651 -6.703 -20.986 715 HG3 ARG 93 3HG ARG 93 5.451 -6.247 -22.197 716 HD2 ARG 93 2HD ARG 93 6.837 -4.348 -22.859 717 HD3 ARG 93 3HD ARG 93 8.028 -4.783 -21.634 718 HE ARG 93 HE ARG 93 7.678 -7.007 -23.257 719 HH11 ARG 93 1HH1 ARG 93 8.816 -3.730 -23.559 720 HH12 ARG 93 2HH1 ARG 93 9.918 -4.094 -24.846 721 HH21 ARG 93 1HH2 ARG 93 9.125 -7.497 -24.951 722 HH22 ARG 93 2HH2 ARG 93 10.092 -6.236 -25.638 723 HA PRO 94 HA PRO 94 7.350 -0.750 -17.945 724 HB2 PRO 94 2HB PRO 94 10.043 -0.447 -18.099 725 HB3 PRO 94 3HB PRO 94 9.239 -1.201 -16.718 726 HG2 PRO 94 2HG PRO 94 10.605 -2.489 -19.049 727 HG3 PRO 94 3HG PRO 94 10.686 -2.915 -17.329 728 HD2 PRO 94 2HD PRO 94 9.130 -4.259 -19.091 729 HD3 PRO 94 3HD PRO 94 8.681 -4.050 -17.386 730 H ARG 95 H ARG 95 6.448 0.296 -19.677 731 HA ARG 95 HA ARG 95 8.192 0.746 -22.010 732 HB2 ARG 95 2HB ARG 95 5.238 0.369 -21.767 733 HB3 ARG 95 3HB ARG 95 5.857 1.394 -23.054 734 HG2 ARG 95 2HG ARG 95 7.073 -1.290 -22.719 735 HG3 ARG 95 3HG ARG 95 5.445 -1.191 -23.393 736 HD2 ARG 95 2HD ARG 95 7.813 0.355 -24.435 737 HD3 ARG 95 3HD ARG 95 7.267 -1.185 -25.097 738 HE ARG 95 HE ARG 95 5.147 0.700 -25.017 739 HH11 ARG 95 1HH1 ARG 95 8.026 -0.149 -26.779 740 HH12 ARG 95 2HH1 ARG 95 7.478 0.547 -28.268 741 HH21 ARG 95 1HH2 ARG 95 4.414 1.621 -26.971 742 HH22 ARG 95 2HH2 ARG 95 5.424 1.554 -28.375 743 H SER 96 H SER 96 8.533 2.812 -22.716 744 HA SER 96 HA SER 96 7.511 4.949 -20.967 745 HB2 SER 96 2HB SER 96 9.702 5.872 -22.537 746 HB3 SER 96 3HB SER 96 9.635 5.632 -20.791 747 HG SER 96 HG SER 96 10.625 3.947 -22.792 748 H LEU 97 H LEU 97 6.112 6.331 -21.815 749 HA LEU 97 HA LEU 97 5.714 6.367 -24.705 750 HB2 LEU 97 2HB LEU 97 4.062 7.905 -22.743 751 HB3 LEU 97 3HB LEU 97 3.599 7.244 -24.310 752 HG LEU 97 HG LEU 97 3.997 5.725 -21.736 753 HD11 LEU 97 1HD1 LEU 97 1.879 6.542 -21.556 754 HD12 LEU 97 2HD1 LEU 97 1.548 5.096 -22.510 755 HD13 LEU 97 3HD1 LEU 97 1.657 6.668 -23.301 756 HD21 LEU 97 3HD2 LEU 97 4.808 4.238 -23.331 757 HD22 LEU 97 1HD2 LEU 97 3.674 4.790 -24.564 758 HD23 LEU 97 2HD2 LEU 97 3.099 3.814 -23.212 759 H THR 98 H THR 98 7.083 7.707 -25.716 760 HA THR 98 HA THR 98 7.889 10.217 -24.516 761 HB THR 98 HB THR 98 9.263 10.511 -26.547 762 HG1 THR 98 HG1 THR 98 8.833 9.368 -28.270 763 HG21 THR 98 3HG2 THR 98 9.443 8.243 -24.714 764 HG22 THR 98 1HG2 THR 98 10.676 9.406 -25.197 765 HG23 THR 98 2HG2 THR 98 10.337 8.006 -26.215 766 H LEU 99 H LEU 99 7.682 12.267 -25.636 767 HA LEU 99 HA LEU 99 5.095 12.961 -26.282 768 HB2 LEU 99 2HB LEU 99 7.522 14.272 -26.043 769 HB3 LEU 99 3HB LEU 99 7.035 14.587 -27.707 770 HG LEU 99 HG LEU 99 4.783 15.063 -26.050 771 HD11 LEU 99 1HD1 LEU 99 7.035 16.802 -25.151 772 HD12 LEU 99 2HD1 LEU 99 6.740 15.265 -24.339 773 HD13 LEU 99 3HD1 LEU 99 5.475 16.493 -24.387 774 HD21 LEU 99 3HD2 LEU 99 5.122 16.148 -28.155 775 HD22 LEU 99 1HD2 LEU 99 6.640 16.857 -27.604 776 HD23 LEU 99 2HD2 LEU 99 5.113 17.386 -26.898 777 H LYS 100 H LYS 100 3.834 12.763 -28.016 778 HA LYS 100 HA LYS 100 4.415 11.150 -30.177 779 HB2 LYS 100 2HB LYS 100 2.401 11.953 -31.187 780 HB3 LYS 100 3HB LYS 100 2.139 11.916 -29.449 781 HG2 LYS 100 2HG LYS 100 2.617 14.347 -29.374 782 HG3 LYS 100 3HG LYS 100 2.723 14.340 -31.136 783 HD2 LYS 100 2HD LYS 100 0.436 13.728 -31.354 784 HD3 LYS 100 3HD LYS 100 0.298 13.379 -29.629 785 HE2 LYS 100 2HE LYS 100 0.276 15.619 -29.048 786 HE3 LYS 100 3HE LYS 100 1.068 16.120 -30.541 787 HZ1 LYS 100 3HZ LYS 100 -1.280 14.981 -31.355 788 HZ2 LYS 100 1HZ LYS 100 -0.952 16.638 -31.262 789 HZ3 LYS 100 2HZ LYS 100 -1.715 15.854 -29.972 790 H GLU 101 H GLU 101 5.411 11.391 -32.090 791 HA GLU 101 HA GLU 101 5.864 14.008 -33.232 792 HB2 GLU 101 2HB GLU 101 7.733 13.673 -31.585 793 HB3 GLU 101 3HB GLU 101 8.245 12.285 -32.536 794 HG2 GLU 101 2HG GLU 101 9.618 13.952 -33.321 795 HG3 GLU 101 3HG GLU 101 8.311 13.960 -34.503 796 H ARG 102 H ARG 102 5.340 13.736 -35.289 797 HA ARG 102 HA ARG 102 5.179 12.881 -37.391 798 HB2 ARG 102 2HB ARG 102 7.722 12.682 -36.953 799 HB3 ARG 102 3HB ARG 102 7.402 10.966 -36.744 800 HG2 ARG 102 2HG ARG 102 8.098 11.282 -38.984 801 HG3 ARG 102 3HG ARG 102 6.360 10.978 -39.023 802 HD2 ARG 102 2HD ARG 102 5.856 13.154 -39.584 803 HD3 ARG 102 3HD ARG 102 7.343 13.789 -38.882 804 HE ARG 102 HE ARG 102 8.029 12.170 -41.050 805 HH11 ARG 102 1HH1 ARG 102 6.386 15.172 -40.413 806 HH12 ARG 102 2HH1 ARG 102 6.795 15.872 -41.944 807 HH21 ARG 102 1HH2 ARG 102 8.574 13.080 -43.070 808 HH22 ARG 102 2HH2 ARG 102 8.038 14.680 -43.455 809 H SER 103 H SER 103 3.785 11.649 -35.086 810 HA SER 103 HA SER 103 3.518 8.869 -35.969 811 HB2 SER 103 2HB SER 103 3.749 9.675 -33.480 812 HB3 SER 103 3HB SER 103 2.024 10.007 -33.632 813 HG SER 103 HG SER 103 2.897 7.781 -32.936 814 H LEU 104 H LEU 104 2.542 10.897 -37.685 815 HA LEU 104 HA LEU 104 -0.374 10.619 -37.411 816 HB2 LEU 104 2HB LEU 104 -0.578 12.526 -38.879 817 HB3 LEU 104 3HB LEU 104 0.457 12.919 -37.508 818 HG LEU 104 HG LEU 104 1.730 12.061 -40.064 819 HD11 LEU 104 1HD1 LEU 104 1.749 14.676 -40.466 820 HD12 LEU 104 2HD1 LEU 104 0.200 14.566 -39.631 821 HD13 LEU 104 3HD1 LEU 104 0.472 13.643 -41.109 822 HD21 LEU 104 3HD2 LEU 104 2.591 13.008 -37.573 823 HD22 LEU 104 1HD2 LEU 104 2.854 14.331 -38.709 824 HD23 LEU 104 2HD2 LEU 104 3.565 12.748 -39.021 825 H GLU 105 H GLU 105 2.367 9.838 -39.366 826 HA GLU 105 HA GLU 105 1.258 9.365 -41.847 827 HB2 GLU 105 2HB GLU 105 3.073 7.854 -42.258 828 HB3 GLU 105 3HB GLU 105 3.676 9.164 -41.253 829 HG2 GLU 105 2HG GLU 105 3.352 7.673 -39.270 830 HG3 GLU 105 3HG GLU 105 2.995 6.365 -40.397 831 H HIS 106 H HIS 106 0.938 7.522 -38.906 832 HA HIS 106 HA HIS 106 0.102 5.063 -39.840 833 HB2 HIS 106 2HB HIS 106 0.471 5.648 -37.448 834 HB3 HIS 106 3HB HIS 106 -1.051 6.533 -37.460 835 HD1 HIS 106 HD1 HIS 106 -1.898 4.892 -35.592 836 HD2 HIS 106 HD2 HIS 106 -1.102 3.115 -39.262 837 HE1 HIS 106 HE1 HIS 106 -2.986 2.627 -35.492 838 H HIS 107 H HIS 107 -1.272 4.859 -41.508 839 HA HIS 107 HA HIS 107 -3.399 6.565 -42.127 840 HB2 HIS 107 2HB HIS 107 -3.122 3.638 -42.838 841 HB3 HIS 107 3HB HIS 107 -4.150 4.812 -43.655 842 HD1 HIS 107 HD1 HIS 107 -2.091 7.117 -43.914 843 HD2 HIS 107 HD2 HIS 107 -1.315 3.138 -44.824 844 HE1 HIS 107 HE1 HIS 107 -0.167 7.161 -45.534 845 H HIS 108 H HIS 108 -5.236 6.905 -41.084 846 HA HIS 108 HA HIS 108 -6.228 4.870 -39.228 847 HB2 HIS 108 2HB HIS 108 -7.103 7.747 -39.559 848 HB3 HIS 108 3HB HIS 108 -7.595 6.649 -38.273 849 HD1 HIS 108 HD1 HIS 108 -5.845 9.456 -38.225 850 HD2 HIS 108 HD2 HIS 108 -4.593 5.575 -37.432 851 HE1 HIS 108 HE1 HIS 108 -3.798 9.691 -36.783 852 H HIS 109 H HIS 109 -7.461 3.426 -40.285 853 HA HIS 109 HA HIS 109 -9.176 4.164 -42.466 854 HB2 HIS 109 2HB HIS 109 -7.994 1.915 -42.131 855 HB3 HIS 109 3HB HIS 109 -9.263 1.551 -40.966 856 HD1 HIS 109 HD1 HIS 109 -8.485 1.309 -44.483 857 HD2 HIS 109 HD2 HIS 109 -11.946 1.677 -42.214 858 HE1 HIS 109 HE1 HIS 109 -10.362 0.599 -45.999 859 H HIS 110 H HIS 110 -9.536 3.615 -39.034 860 HA HIS 110 HA HIS 110 -12.432 4.091 -39.278 861 HB2 HIS 110 2HB HIS 110 -11.626 1.941 -38.183 862 HB3 HIS 110 3HB HIS 110 -11.019 2.945 -36.869 863 HD1 HIS 110 HD1 HIS 110 -13.658 0.834 -37.315 864 HD2 HIS 110 HD2 HIS 110 -13.506 4.847 -36.248 865 HE1 HIS 110 HE1 HIS 110 -15.829 1.298 -36.134 866 H HIS 111 H HIS 111 -12.720 6.239 -39.119 867 HA HIS 111 HA HIS 111 -11.683 7.556 -36.705 868 HB2 HIS 111 2HB HIS 111 -11.339 9.631 -38.041 869 HB3 HIS 111 3HB HIS 111 -10.267 8.316 -38.510 870 HD1 HIS 111 HD1 HIS 111 -10.427 7.469 -40.891 871 HD2 HIS 111 HD2 HIS 111 -13.395 10.215 -39.936 872 HE1 HIS 111 HE1 HIS 111 -11.543 8.039 -43.072 Start of MODEL 3 1 H1 ASP 1 H ASP 1 0.634 -5.024 -0.710 2 HA ASP 1 HA ASP 1 2.839 -5.285 -2.605 3 HB2 ASP 1 2HB ASP 1 2.903 -6.768 -0.690 4 HB3 ASP 1 3HB ASP 1 1.279 -7.352 -1.043 5 H LEU 2 H LEU 2 1.517 -4.273 -4.313 6 HA LEU 2 HA LEU 2 -0.645 -5.901 -5.382 7 HB2 LEU 2 2HB LEU 2 -0.484 -3.292 -5.266 8 HB3 LEU 2 3HB LEU 2 0.448 -3.482 -6.749 9 HG LEU 2 HG LEU 2 -1.895 -2.943 -7.201 10 HD11 LEU 2 1HD1 LEU 2 -1.434 -5.796 -8.007 11 HD12 LEU 2 2HD1 LEU 2 -0.475 -4.473 -8.669 12 HD13 LEU 2 3HD1 LEU 2 -2.221 -4.504 -8.913 13 HD21 LEU 2 3HD2 LEU 2 -2.987 -5.535 -6.488 14 HD22 LEU 2 1HD2 LEU 2 -3.617 -3.917 -6.178 15 HD23 LEU 2 2HD2 LEU 2 -2.435 -4.629 -5.078 16 H THR 3 H THR 3 0.513 -7.754 -6.018 17 HA THR 3 HA THR 3 2.422 -7.378 -8.223 18 HB THR 3 HB THR 3 2.774 -9.939 -7.770 19 HG1 THR 3 HG1 THR 3 2.105 -9.200 -5.136 20 HG21 THR 3 3HG2 THR 3 4.735 -9.082 -7.151 21 HG22 THR 3 1HG2 THR 3 4.079 -8.817 -5.537 22 HG23 THR 3 2HG2 THR 3 3.973 -7.543 -6.752 23 H VAL 4 H VAL 4 -0.299 -9.463 -7.249 24 HA VAL 4 HA VAL 4 -1.624 -10.855 -8.528 25 HB VAL 4 HB VAL 4 -2.965 -9.597 -10.175 26 HG11 VAL 4 1HG1 VAL 4 -3.766 -7.823 -8.586 27 HG12 VAL 4 2HG1 VAL 4 -3.662 -9.447 -7.904 28 HG13 VAL 4 3HG1 VAL 4 -2.416 -8.253 -7.536 29 HG21 VAL 4 3HG2 VAL 4 -1.010 -8.230 -10.995 30 HG22 VAL 4 1HG2 VAL 4 -2.510 -7.339 -10.740 31 HG23 VAL 4 2HG2 VAL 4 -1.208 -7.232 -9.555 32 H ARG 5 H ARG 5 0.994 -11.339 -9.237 33 HA ARG 5 HA ARG 5 1.082 -11.325 -12.159 34 HB2 ARG 5 2HB ARG 5 3.401 -12.169 -11.850 35 HB3 ARG 5 3HB ARG 5 3.114 -10.619 -11.072 36 HG2 ARG 5 2HG ARG 5 3.019 -11.621 -8.921 37 HG3 ARG 5 3HG ARG 5 2.995 -13.244 -9.613 38 HD2 ARG 5 2HD ARG 5 5.283 -11.404 -10.178 39 HD3 ARG 5 3HD ARG 5 5.210 -12.275 -8.647 40 HE ARG 5 HE ARG 5 4.833 -14.237 -10.447 41 HH11 ARG 5 1HH1 ARG 5 7.211 -11.706 -10.191 42 HH12 ARG 5 2HH1 ARG 5 8.461 -12.624 -10.963 43 HH21 ARG 5 1HH2 ARG 5 6.471 -15.455 -11.465 44 HH22 ARG 5 2HH2 ARG 5 8.039 -14.756 -11.688 45 H GLN 6 H GLN 6 -0.881 -12.965 -10.971 46 HA GLN 6 HA GLN 6 -0.076 -15.646 -10.663 47 HB2 GLN 6 2HB GLN 6 -2.241 -14.814 -9.872 48 HB3 GLN 6 3HB GLN 6 -2.751 -14.538 -11.533 49 HG2 GLN 6 2HG GLN 6 -3.768 -16.542 -10.935 50 HG3 GLN 6 3HG GLN 6 -2.368 -17.029 -11.889 51 HE21 GLN 6 1HE2 GLN 6 -4.045 -17.496 -9.050 52 HE22 GLN 6 2HE2 GLN 6 -2.841 -18.365 -8.167 53 H LYS 7 H LYS 7 0.339 -17.232 -12.080 54 HA LYS 7 HA LYS 7 -0.497 -16.981 -14.857 55 HB2 LYS 7 2HB LYS 7 1.788 -17.424 -15.698 56 HB3 LYS 7 3HB LYS 7 1.655 -15.870 -14.885 57 HG2 LYS 7 2HG LYS 7 2.603 -16.937 -12.842 58 HG3 LYS 7 3HG LYS 7 2.879 -18.395 -13.798 59 HD2 LYS 7 2HD LYS 7 4.151 -16.838 -15.408 60 HD3 LYS 7 3HD LYS 7 4.159 -15.694 -14.064 61 HE2 LYS 7 2HE LYS 7 5.299 -17.307 -12.661 62 HE3 LYS 7 3HE LYS 7 5.213 -18.518 -13.939 63 HZ1 LYS 7 3HZ LYS 7 6.484 -15.990 -14.626 64 HZ2 LYS 7 1HZ LYS 7 6.894 -17.568 -15.079 65 HZ3 LYS 7 2HZ LYS 7 7.330 -16.986 -13.552 66 H GLY 8 H GLY 8 -0.718 -18.933 -15.908 67 HA2 GLY 8 2HA GLY 8 -0.323 -21.308 -14.204 68 HA3 GLY 8 3HA GLY 8 -1.558 -21.159 -15.446 69 H ASN 9 H ASN 9 0.643 -19.830 -17.144 70 HA ASN 9 HA ASN 9 2.014 -22.318 -17.925 71 HB2 ASN 9 2HB ASN 9 1.234 -20.231 -19.939 72 HB3 ASN 9 3HB ASN 9 1.602 -21.934 -20.196 73 HD21 ASN 9 1HD2 ASN 9 0.052 -23.500 -19.414 74 HD22 ASN 9 2HD2 ASN 9 -1.625 -23.083 -19.375 75 H LYS 10 H LYS 10 3.087 -20.377 -16.186 76 HA LYS 10 HA LYS 10 4.970 -19.150 -15.833 77 HB2 LYS 10 2HB LYS 10 5.712 -20.665 -18.325 78 HB3 LYS 10 3HB LYS 10 6.830 -19.532 -17.577 79 HG2 LYS 10 2HG LYS 10 7.449 -21.588 -16.696 80 HG3 LYS 10 3HG LYS 10 6.449 -20.876 -15.427 81 HD2 LYS 10 2HD LYS 10 4.681 -22.308 -15.836 82 HD3 LYS 10 3HD LYS 10 5.191 -22.630 -17.495 83 HE2 LYS 10 2HE LYS 10 6.970 -23.477 -15.262 84 HE3 LYS 10 3HE LYS 10 5.514 -24.417 -15.581 85 HZ1 LYS 10 3HZ LYS 10 6.547 -24.122 -18.044 86 HZ2 LYS 10 1HZ LYS 10 6.806 -25.468 -17.052 87 HZ3 LYS 10 2HZ LYS 10 7.953 -24.227 -17.110 88 H VAL 11 H VAL 11 2.757 -17.955 -17.306 89 HA VAL 11 HA VAL 11 4.199 -15.661 -18.362 90 HB VAL 11 HB VAL 11 2.800 -15.532 -20.392 91 HG11 VAL 11 1HG1 VAL 11 5.065 -16.498 -20.466 92 HG12 VAL 11 2HG1 VAL 11 4.372 -18.100 -20.209 93 HG13 VAL 11 3HG1 VAL 11 3.995 -17.201 -21.678 94 HG21 VAL 11 3HG2 VAL 11 2.000 -18.220 -20.692 95 HG22 VAL 11 1HG2 VAL 11 1.419 -17.683 -19.116 96 HG23 VAL 11 2HG2 VAL 11 0.977 -16.788 -20.571 97 H ILE 12 H ILE 12 3.170 -13.759 -17.995 98 HA ILE 12 HA ILE 12 0.797 -13.849 -16.339 99 HB ILE 12 HB ILE 12 2.290 -11.402 -17.282 100 HG12 ILE 12 2HG1 ILE 12 3.798 -12.986 -16.118 101 HG13 ILE 12 3HG1 ILE 12 3.550 -11.504 -15.202 102 HG21 ILE 12 1HG2 ILE 12 1.331 -10.675 -14.938 103 HG22 ILE 12 2HG2 ILE 12 0.349 -10.579 -16.399 104 HG23 ILE 12 3HG2 ILE 12 0.147 -11.934 -15.289 105 HD11 ILE 12 3HD1 ILE 12 1.856 -13.894 -14.646 106 HD12 ILE 12 1HD1 ILE 12 3.494 -13.797 -14.001 107 HD13 ILE 12 2HD1 ILE 12 2.306 -12.562 -13.582 108 H LYS 13 H LYS 13 -1.165 -12.831 -16.787 109 HA LYS 13 HA LYS 13 -1.585 -11.832 -19.506 110 HB2 LYS 13 2HB LYS 13 -3.388 -13.898 -18.236 111 HB3 LYS 13 3HB LYS 13 -3.544 -13.208 -19.846 112 HG2 LYS 13 2HG LYS 13 -2.533 -15.135 -20.431 113 HG3 LYS 13 3HG LYS 13 -1.077 -14.211 -20.055 114 HD2 LYS 13 2HD LYS 13 -0.906 -16.349 -18.985 115 HD3 LYS 13 3HD LYS 13 -1.176 -15.130 -17.738 116 HE2 LYS 13 2HE LYS 13 -3.454 -15.754 -17.502 117 HE3 LYS 13 3HE LYS 13 -3.401 -16.751 -18.955 118 HZ1 LYS 13 3HZ LYS 13 -2.683 -18.475 -17.783 119 HZ2 LYS 13 1HZ LYS 13 -2.994 -17.590 -16.375 120 HZ3 LYS 13 2HZ LYS 13 -1.447 -17.575 -17.059 121 HA PRO 14 HA PRO 14 -4.071 -8.783 -17.557 122 HB2 PRO 14 2HB PRO 14 -5.874 -8.249 -19.515 123 HB3 PRO 14 3HB PRO 14 -4.183 -7.741 -19.601 124 HG2 PRO 14 2HG PRO 14 -5.520 -10.097 -20.876 125 HG3 PRO 14 3HG PRO 14 -4.337 -8.971 -21.568 126 HD2 PRO 14 2HD PRO 14 -3.652 -11.428 -20.659 127 HD3 PRO 14 3HD PRO 14 -2.552 -10.037 -20.572 128 H ASP 15 H ASP 15 -5.836 -8.645 -16.265 129 HA ASP 15 HA ASP 15 -7.715 -10.898 -16.340 130 HB2 ASP 15 2HB ASP 15 -8.317 -9.985 -14.006 131 HB3 ASP 15 3HB ASP 15 -6.757 -10.779 -14.201 132 H GLU 16 H GLU 16 -9.927 -10.603 -16.375 133 HA GLU 16 HA GLU 16 -10.816 -7.885 -17.080 134 HB2 GLU 16 2HB GLU 16 -12.083 -10.512 -17.874 135 HB3 GLU 16 3HB GLU 16 -12.579 -8.911 -18.404 136 HG2 GLU 16 2HG GLU 16 -10.308 -8.659 -19.440 137 HG3 GLU 16 3HG GLU 16 -10.039 -10.365 -19.084 138 H THR 17 H THR 17 -10.618 -9.254 -14.404 139 HA THR 17 HA THR 17 -13.454 -9.016 -13.630 140 HB THR 17 HB THR 17 -13.099 -10.556 -11.834 141 HG1 THR 17 HG1 THR 17 -11.096 -11.288 -11.258 142 HG21 THR 17 3HG2 THR 17 -13.258 -12.344 -13.163 143 HG22 THR 17 1HG2 THR 17 -11.587 -12.179 -13.700 144 HG23 THR 17 2HG2 THR 17 -12.867 -11.275 -14.510 145 H ARG 18 H ARG 18 -10.183 -8.016 -13.037 146 HA ARG 18 HA ARG 18 -10.634 -6.781 -10.512 147 HB2 ARG 18 2HB ARG 18 -8.480 -6.228 -12.561 148 HB3 ARG 18 3HB ARG 18 -8.460 -5.707 -10.882 149 HG2 ARG 18 2HG ARG 18 -8.731 -8.609 -11.478 150 HG3 ARG 18 3HG ARG 18 -7.153 -7.839 -11.653 151 HD2 ARG 18 2HD ARG 18 -8.759 -7.424 -9.166 152 HD3 ARG 18 3HD ARG 18 -7.829 -8.907 -9.378 153 HE ARG 18 HE ARG 18 -6.007 -7.003 -9.906 154 HH11 ARG 18 1HH1 ARG 18 -8.254 -7.439 -7.283 155 HH12 ARG 18 2HH1 ARG 18 -7.245 -6.652 -6.115 156 HH21 ARG 18 1HH2 ARG 18 -4.669 -5.965 -8.377 157 HH22 ARG 18 2HH2 ARG 18 -5.207 -5.813 -6.739 158 H VAL 19 H VAL 19 -9.730 -4.259 -10.610 159 HA VAL 19 HA VAL 19 -11.984 -2.796 -11.500 160 HB VAL 19 HB VAL 19 -9.297 -1.638 -10.764 161 HG11 VAL 19 1HG1 VAL 19 -10.995 0.130 -9.820 162 HG12 VAL 19 2HG1 VAL 19 -10.532 0.142 -11.523 163 HG13 VAL 19 3HG1 VAL 19 -12.067 -0.573 -11.030 164 HG21 VAL 19 3HG2 VAL 19 -10.205 -1.513 -8.453 165 HG22 VAL 19 1HG2 VAL 19 -11.558 -2.517 -8.973 166 HG23 VAL 19 2HG2 VAL 19 -9.917 -3.161 -9.009 167 H LYS 20 H LYS 20 -12.121 -1.175 -13.103 168 HA LYS 20 HA LYS 20 -10.037 -1.213 -15.169 169 HB2 LYS 20 2HB LYS 20 -12.974 -1.334 -15.844 170 HB3 LYS 20 3HB LYS 20 -11.608 -1.511 -16.938 171 HG2 LYS 20 2HG LYS 20 -12.016 -3.699 -16.724 172 HG3 LYS 20 3HG LYS 20 -11.139 -3.536 -15.201 173 HD2 LYS 20 2HD LYS 20 -13.111 -4.659 -14.621 174 HD3 LYS 20 3HD LYS 20 -13.413 -2.981 -14.163 175 HE2 LYS 20 2HE LYS 20 -15.366 -3.545 -15.261 176 HE3 LYS 20 3HE LYS 20 -14.427 -2.786 -16.545 177 HZ1 LYS 20 3HZ LYS 20 -13.698 -5.079 -17.172 178 HZ2 LYS 20 1HZ LYS 20 -15.341 -4.762 -17.424 179 HZ3 LYS 20 2HZ LYS 20 -14.852 -5.684 -16.093 180 H GLN 21 H GLN 21 -9.388 0.848 -14.517 181 HA GLN 21 HA GLN 21 -10.969 3.046 -13.989 182 HB2 GLN 21 2HB GLN 21 -8.196 2.562 -14.658 183 HB3 GLN 21 3HB GLN 21 -8.762 4.061 -15.384 184 HG2 GLN 21 2HG GLN 21 -7.978 4.777 -13.348 185 HG3 GLN 21 3HG GLN 21 -9.697 4.560 -13.021 186 HE21 GLN 21 1HE2 GLN 21 -6.737 2.595 -13.031 187 HE22 GLN 21 2HE2 GLN 21 -7.050 1.812 -11.523 188 H PHE 22 H PHE 22 -11.404 4.959 -15.306 189 HA PHE 22 HA PHE 22 -12.879 4.379 -17.595 190 HB2 PHE 22 2HB PHE 22 -13.351 6.386 -16.382 191 HB3 PHE 22 3HB PHE 22 -11.708 6.980 -16.603 192 HD1 PHE 22 HD1 PHE 22 -14.350 5.657 -18.887 193 HD2 PHE 22 HD2 PHE 22 -11.630 8.803 -17.981 194 HE1 PHE 22 HE1 PHE 22 -15.061 6.852 -20.917 195 HE2 PHE 22 HE2 PHE 22 -12.337 10.003 -20.009 196 HZ PHE 22 HZ PHE 22 -14.055 9.028 -21.480 197 H LEU 23 H LEU 23 -9.572 5.596 -17.272 198 HA LEU 23 HA LEU 23 -9.200 5.702 -20.138 199 HB2 LEU 23 2HB LEU 23 -7.194 6.035 -17.913 200 HB3 LEU 23 3HB LEU 23 -6.934 6.418 -19.613 201 HG LEU 23 HG LEU 23 -7.294 8.496 -18.662 202 HD11 LEU 23 1HD1 LEU 23 -9.450 9.265 -19.442 203 HD12 LEU 23 2HD1 LEU 23 -10.059 7.610 -19.476 204 HD13 LEU 23 3HD1 LEU 23 -8.779 8.101 -20.585 205 HD21 LEU 23 3HD2 LEU 23 -8.319 8.875 -16.710 206 HD22 LEU 23 1HD2 LEU 23 -8.373 7.118 -16.559 207 HD23 LEU 23 2HD2 LEU 23 -9.769 7.992 -17.191 208 H GLU 24 H GLU 24 -9.002 3.342 -17.735 209 HA GLU 24 HA GLU 24 -6.902 1.790 -18.982 210 HB2 GLU 24 2HB GLU 24 -8.577 1.558 -16.541 211 HB3 GLU 24 3HB GLU 24 -7.979 0.059 -17.238 212 HG2 GLU 24 2HG GLU 24 -5.683 0.989 -17.139 213 HG3 GLU 24 3HG GLU 24 -6.335 2.397 -16.303 214 H GLY 25 H GLY 25 -9.905 2.440 -19.937 215 HA2 GLY 25 2HA GLY 25 -10.558 -0.311 -20.753 216 HA3 GLY 25 3HA GLY 25 -11.678 1.043 -20.748 217 H PHE 26 H PHE 26 -8.975 2.349 -21.948 218 HA PHE 26 HA PHE 26 -9.701 1.668 -24.722 219 HB2 PHE 26 2HB PHE 26 -8.498 4.275 -23.780 220 HB3 PHE 26 3HB PHE 26 -9.150 3.915 -25.375 221 HD1 PHE 26 HD2 PHE 26 -11.652 3.333 -25.503 222 HD2 PHE 26 HD1 PHE 26 -9.837 5.247 -22.163 223 HE1 PHE 26 HE2 PHE 26 -13.853 4.170 -24.791 224 HE2 PHE 26 HE1 PHE 26 -12.036 6.087 -21.445 225 HZ PHE 26 HZ PHE 26 -14.047 5.549 -22.760 226 H ASN 27 H ASN 27 -7.870 2.156 -26.297 227 HA ASN 27 HA ASN 27 -5.633 0.569 -25.587 228 HB2 ASN 27 2HB ASN 27 -6.545 2.050 -27.980 229 HB3 ASN 27 3HB ASN 27 -4.806 1.799 -27.857 230 HD21 ASN 27 1HD2 ASN 27 -4.498 0.290 -29.379 231 HD22 ASN 27 2HD2 ASN 27 -5.234 -1.273 -29.377 232 H ILE 28 H ILE 28 -3.374 1.240 -25.678 233 HA ILE 28 HA ILE 28 -2.962 3.658 -24.148 234 HB ILE 28 HB ILE 28 -1.748 1.593 -23.572 235 HG12 ILE 28 2HG1 ILE 28 0.514 2.620 -23.393 236 HG13 ILE 28 3HG1 ILE 28 -0.007 3.890 -24.495 237 HG21 ILE 28 1HG2 ILE 28 -1.451 1.176 -26.198 238 HG22 ILE 28 2HG2 ILE 28 0.121 1.890 -25.841 239 HG23 ILE 28 3HG2 ILE 28 -0.404 0.441 -24.984 240 HD11 ILE 28 3HD1 ILE 28 -0.037 4.301 -21.940 241 HD12 ILE 28 1HD1 ILE 28 -1.383 4.863 -22.931 242 HD13 ILE 28 2HD1 ILE 28 -1.540 3.379 -21.990 243 H GLU 29 H GLU 29 -2.591 2.598 -27.425 244 HA GLU 29 HA GLU 29 -0.802 4.730 -28.180 245 HB2 GLU 29 2HB GLU 29 -0.953 3.858 -30.402 246 HB3 GLU 29 3HB GLU 29 -0.844 2.490 -29.303 247 HG2 GLU 29 2HG GLU 29 -3.200 2.073 -29.503 248 HG3 GLU 29 3HG GLU 29 -3.414 3.531 -30.470 249 H THR 30 H THR 30 -4.240 4.142 -28.159 250 HA THR 30 HA THR 30 -5.103 6.086 -29.962 251 HB THR 30 HB THR 30 -7.217 6.135 -28.580 252 HG1 THR 30 HG1 THR 30 -7.291 5.052 -26.720 253 HG21 THR 30 3HG2 THR 30 -7.307 4.594 -30.307 254 HG22 THR 30 1HG2 THR 30 -7.586 3.572 -28.898 255 HG23 THR 30 2HG2 THR 30 -5.991 3.623 -29.649 256 H PHE 31 H PHE 31 -3.793 6.402 -26.779 257 HA PHE 31 HA PHE 31 -4.813 9.041 -26.291 258 HB2 PHE 31 2HB PHE 31 -2.505 7.630 -24.939 259 HB3 PHE 31 3HB PHE 31 -3.384 9.029 -24.330 260 HD1 PHE 31 HD2 PHE 31 -6.163 8.055 -25.097 261 HD2 PHE 31 HD1 PHE 31 -2.897 6.155 -23.138 262 HE1 PHE 31 HE2 PHE 31 -7.734 6.561 -23.934 263 HE2 PHE 31 HE1 PHE 31 -4.462 4.657 -21.973 264 HZ PHE 31 HZ PHE 31 -6.885 4.859 -22.369 265 H GLU 32 H GLU 32 -3.617 10.985 -26.264 266 HA GLU 32 HA GLU 32 -1.109 10.947 -27.800 267 HB2 GLU 32 2HB GLU 32 -1.846 13.018 -28.952 268 HB3 GLU 32 3HB GLU 32 -2.833 11.619 -29.348 269 HG2 GLU 32 2HG GLU 32 -4.427 12.444 -27.538 270 HG3 GLU 32 3HG GLU 32 -3.521 13.955 -27.603 271 H MET 33 H MET 33 0.496 12.015 -26.848 272 HA MET 33 HA MET 33 0.362 13.102 -24.316 273 HB2 MET 33 2HB MET 33 2.399 12.474 -25.865 274 HB3 MET 33 3HB MET 33 2.363 14.189 -26.255 275 HG2 MET 33 2HG MET 33 2.284 13.490 -23.390 276 HG3 MET 33 3HG MET 33 3.789 13.160 -24.244 277 HE1 MET 33 3HE MET 33 5.492 14.745 -23.414 278 HE2 MET 33 1HE MET 33 5.155 16.381 -22.847 279 HE3 MET 33 2HE MET 33 4.410 14.999 -22.043 280 H VAL 34 H VAL 34 -0.218 15.009 -23.468 281 HA VAL 34 HA VAL 34 -0.887 17.191 -25.335 282 HB VAL 34 HB VAL 34 -2.876 16.236 -24.250 283 HG11 VAL 34 1HG1 VAL 34 -1.443 16.999 -21.715 284 HG12 VAL 34 2HG1 VAL 34 -3.170 16.645 -21.790 285 HG13 VAL 34 3HG1 VAL 34 -1.993 15.398 -22.205 286 HG21 VAL 34 3HG2 VAL 34 -2.627 18.698 -24.806 287 HG22 VAL 34 1HG2 VAL 34 -3.876 18.283 -23.633 288 HG23 VAL 34 2HG2 VAL 34 -2.342 18.957 -23.085 289 H GLY 35 H GLY 35 0.845 16.248 -22.502 290 HA2 GLY 35 2HA GLY 35 2.557 18.427 -22.482 291 HA3 GLY 35 3HA GLY 35 1.246 18.831 -21.383 292 H THR 36 H THR 36 3.357 18.856 -20.028 293 HA THR 36 HA THR 36 3.316 16.440 -18.434 294 HB THR 36 HB THR 36 6.018 16.735 -18.516 295 HG1 THR 36 HG1 THR 36 4.975 17.373 -21.079 296 HG21 THR 36 3HG2 THR 36 5.498 14.555 -18.711 297 HG22 THR 36 1HG2 THR 36 5.635 14.840 -20.446 298 HG23 THR 36 2HG2 THR 36 4.053 14.886 -19.667 299 H LEU 37 H LEU 37 3.637 16.870 -16.322 300 HA LEU 37 HA LEU 37 4.236 19.641 -15.601 301 HB2 LEU 37 2HB LEU 37 2.314 17.880 -14.730 302 HB3 LEU 37 3HB LEU 37 3.515 17.815 -13.441 303 HG LEU 37 HG LEU 37 1.680 19.432 -13.029 304 HD11 LEU 37 1HD1 LEU 37 4.136 21.073 -13.336 305 HD12 LEU 37 2HD1 LEU 37 4.216 19.634 -12.322 306 HD13 LEU 37 3HD1 LEU 37 3.049 20.905 -11.957 307 HD21 LEU 37 3HD2 LEU 37 1.424 21.394 -14.307 308 HD22 LEU 37 1HD2 LEU 37 1.508 20.077 -15.478 309 HD23 LEU 37 2HD2 LEU 37 2.916 21.102 -15.202 310 H SER 38 H SER 38 5.748 20.165 -13.972 311 HA SER 38 HA SER 38 7.473 18.161 -12.855 312 HB2 SER 38 2HB SER 38 8.314 18.477 -15.234 313 HB3 SER 38 3HB SER 38 8.757 20.118 -14.765 314 HG SER 38 HG SER 38 10.157 17.923 -14.413 315 H ASN 39 H ASN 39 7.546 18.905 -10.840 316 HA ASN 39 HA ASN 39 8.648 21.536 -10.335 317 HB2 ASN 39 2HB ASN 39 6.851 22.362 -8.998 318 HB3 ASN 39 3HB ASN 39 6.144 21.840 -10.525 319 HD21 ASN 39 1HD2 ASN 39 5.687 19.298 -10.368 320 HD22 ASN 39 2HD2 ASN 39 4.702 18.874 -9.013 321 H ALA 40 H ALA 40 8.238 21.758 -7.659 322 HA ALA 40 HA ALA 40 10.144 20.092 -6.537 323 HB1 ALA 40 1HB ALA 40 8.021 21.849 -5.397 324 HB2 ALA 40 2HB ALA 40 8.938 20.792 -4.323 325 HB3 ALA 40 3HB ALA 40 9.777 21.995 -5.303 326 H GLN 41 H GLN 41 6.663 19.670 -6.767 327 HA GLN 41 HA GLN 41 6.411 17.515 -4.974 328 HB2 GLN 41 2HB GLN 41 4.765 18.770 -7.062 329 HB3 GLN 41 3HB GLN 41 4.430 17.063 -6.803 330 HG2 GLN 41 2HG GLN 41 4.525 19.039 -4.548 331 HG3 GLN 41 3HG GLN 41 3.058 18.726 -5.475 332 HE21 GLN 41 1HE2 GLN 41 2.289 18.114 -3.301 333 HE22 GLN 41 2HE2 GLN 41 2.536 16.486 -2.779 334 H GLY 42 H GLY 42 7.496 17.706 -8.274 335 HA2 GLY 42 2HA GLY 42 9.018 15.670 -8.681 336 HA3 GLY 42 3HA GLY 42 7.526 14.767 -8.459 337 H THR 43 H THR 43 8.218 14.023 -10.667 338 HA THR 43 HA THR 43 7.457 15.930 -12.768 339 HB THR 43 HB THR 43 8.582 13.248 -13.430 340 HG1 THR 43 HG1 THR 43 10.417 13.659 -12.475 341 HG21 THR 43 3HG2 THR 43 9.406 14.328 -15.337 342 HG22 THR 43 1HG2 THR 43 9.307 15.922 -14.591 343 HG23 THR 43 2HG2 THR 43 7.834 15.082 -15.074 344 H PHE 44 H PHE 44 5.557 15.745 -13.751 345 HA PHE 44 HA PHE 44 4.141 13.166 -13.590 346 HB2 PHE 44 2HB PHE 44 2.854 15.902 -13.596 347 HB3 PHE 44 3HB PHE 44 2.041 14.353 -13.398 348 HD1 PHE 44 HD1 PHE 44 4.371 16.731 -11.808 349 HD2 PHE 44 HD2 PHE 44 1.899 13.306 -11.289 350 HE1 PHE 44 HE1 PHE 44 4.647 16.906 -9.370 351 HE2 PHE 44 HE2 PHE 44 2.170 13.476 -8.850 352 HZ PHE 44 HZ PHE 44 3.544 15.278 -7.887 353 H ALA 45 H ALA 45 2.657 12.716 -15.341 354 HA ALA 45 HA ALA 45 3.459 14.043 -17.849 355 HB1 ALA 45 1HB ALA 45 2.791 11.169 -17.281 356 HB2 ALA 45 2HB ALA 45 2.790 11.832 -18.915 357 HB3 ALA 45 3HB ALA 45 4.273 11.841 -17.962 358 H LEU 46 H LEU 46 1.900 14.681 -19.277 359 HA LEU 46 HA LEU 46 -0.898 14.295 -18.436 360 HB2 LEU 46 2HB LEU 46 0.001 16.687 -19.988 361 HB3 LEU 46 3HB LEU 46 -1.431 16.487 -18.980 362 HG LEU 46 HG LEU 46 1.408 16.886 -18.049 363 HD11 LEU 46 1HD1 LEU 46 0.061 18.856 -18.893 364 HD12 LEU 46 2HD1 LEU 46 0.686 18.981 -17.250 365 HD13 LEU 46 3HD1 LEU 46 -1.012 18.588 -17.518 366 HD21 LEU 46 3HD2 LEU 46 -0.115 17.087 -15.823 367 HD22 LEU 46 1HD2 LEU 46 0.754 15.629 -16.302 368 HD23 LEU 46 2HD2 LEU 46 -0.959 15.799 -16.684 369 H VAL 47 H VAL 47 -1.973 13.074 -19.826 370 HA VAL 47 HA VAL 47 -1.326 13.298 -22.694 371 HB VAL 47 HB VAL 47 -0.647 11.113 -21.624 372 HG11 VAL 47 1HG1 VAL 47 -2.093 9.822 -20.516 373 HG12 VAL 47 2HG1 VAL 47 -3.145 11.238 -20.472 374 HG13 VAL 47 3HG1 VAL 47 -3.345 10.028 -21.740 375 HG21 VAL 47 3HG2 VAL 47 -1.345 9.800 -23.492 376 HG22 VAL 47 1HG2 VAL 47 -2.743 10.839 -23.771 377 HG23 VAL 47 2HG2 VAL 47 -1.116 11.453 -24.063 378 H LYS 48 H LYS 48 -3.097 12.868 -24.161 379 HA LYS 48 HA LYS 48 -5.716 13.507 -22.971 380 HB2 LYS 48 2HB LYS 48 -4.604 15.250 -24.470 381 HB3 LYS 48 3HB LYS 48 -4.890 14.137 -25.801 382 HG2 LYS 48 2HG LYS 48 -7.210 14.799 -24.092 383 HG3 LYS 48 3HG LYS 48 -6.590 16.076 -25.141 384 HD2 LYS 48 2HD LYS 48 -7.083 14.907 -27.074 385 HD3 LYS 48 3HD LYS 48 -7.064 13.343 -26.255 386 HE2 LYS 48 2HE LYS 48 -9.334 13.935 -26.844 387 HE3 LYS 48 3HE LYS 48 -9.146 13.955 -25.091 388 HZ1 LYS 48 3HZ LYS 48 -10.194 15.957 -26.595 389 HZ2 LYS 48 1HZ LYS 48 -8.619 16.500 -26.304 390 HZ3 LYS 48 2HZ LYS 48 -9.633 16.112 -25.007 391 H GLY 49 H GLY 49 -7.519 12.385 -23.648 392 HA2 GLY 49 2HA GLY 49 -7.741 10.732 -25.874 393 HA3 GLY 49 3HA GLY 49 -7.108 9.736 -24.572 394 H ALA 50 H ALA 50 -9.465 9.006 -25.610 395 HA ALA 50 HA ALA 50 -11.670 8.606 -25.175 396 HB1 ALA 50 1HB ALA 50 -10.730 9.104 -22.352 397 HB2 ALA 50 2HB ALA 50 -12.223 8.284 -22.811 398 HB3 ALA 50 3HB ALA 50 -10.664 7.568 -23.217 399 H GLY 51 H GLY 51 -10.889 11.402 -25.724 400 HA2 GLY 51 2HA GLY 51 -12.008 13.403 -25.911 401 HA3 GLY 51 3HA GLY 51 -13.401 12.619 -25.180 402 H GLY 52 H GLY 52 -10.187 12.965 -23.753 403 HA2 GLY 52 2HA GLY 52 -10.856 15.213 -22.135 404 HA3 GLY 52 3HA GLY 52 -11.054 13.715 -21.237 405 H VAL 53 H VAL 53 -9.298 15.340 -20.172 406 HA VAL 53 HA VAL 53 -6.645 14.527 -21.148 407 HB VAL 53 HB VAL 53 -5.830 16.324 -19.537 408 HG11 VAL 53 1HG1 VAL 53 -7.567 17.272 -21.811 409 HG12 VAL 53 2HG1 VAL 53 -6.148 18.080 -21.141 410 HG13 VAL 53 3HG1 VAL 53 -5.968 16.556 -22.012 411 HG21 VAL 53 3HG2 VAL 53 -7.903 16.490 -18.227 412 HG22 VAL 53 1HG2 VAL 53 -7.422 18.047 -18.902 413 HG23 VAL 53 2HG2 VAL 53 -8.736 17.132 -19.642 414 H HIS 54 H HIS 54 -5.193 13.494 -19.825 415 HA HIS 54 HA HIS 54 -6.133 12.735 -17.142 416 HB2 HIS 54 2HB HIS 54 -4.505 10.731 -18.575 417 HB3 HIS 54 3HB HIS 54 -5.894 10.508 -17.515 418 HD1 HIS 54 HD1 HIS 54 -5.029 9.785 -20.787 419 HD2 HIS 54 HD2 HIS 54 -8.321 11.688 -19.113 420 HE1 HIS 54 HE1 HIS 54 -6.853 9.610 -22.509 421 H ARG 55 H ARG 55 -4.504 12.319 -15.596 422 HA ARG 55 HA ARG 55 -1.783 13.119 -16.370 423 HB2 ARG 55 2HB ARG 55 -1.567 14.480 -14.370 424 HB3 ARG 55 3HB ARG 55 -2.927 15.044 -15.332 425 HG2 ARG 55 2HG ARG 55 -4.420 13.703 -13.822 426 HG3 ARG 55 3HG ARG 55 -3.011 13.440 -12.793 427 HD2 ARG 55 2HD ARG 55 -2.928 15.625 -12.114 428 HD3 ARG 55 3HD ARG 55 -3.666 16.225 -13.598 429 HE ARG 55 HE ARG 55 -5.018 15.397 -11.201 430 HH11 ARG 55 1HH1 ARG 55 -5.305 15.853 -14.640 431 HH12 ARG 55 2HH1 ARG 55 -7.028 16.038 -14.604 432 HH21 ARG 55 1HH2 ARG 55 -7.285 15.639 -11.140 433 HH22 ARG 55 2HH2 ARG 55 -8.153 15.917 -12.612 434 H VAL 56 H VAL 56 -0.238 11.805 -15.632 435 HA VAL 56 HA VAL 56 -0.723 10.182 -13.249 436 HB VAL 56 HB VAL 56 0.253 8.179 -14.471 437 HG11 VAL 56 1HG1 VAL 56 -2.430 9.034 -15.526 438 HG12 VAL 56 2HG1 VAL 56 -1.870 7.404 -15.147 439 HG13 VAL 56 3HG1 VAL 56 -2.176 8.558 -13.848 440 HG21 VAL 56 3HG2 VAL 56 0.116 8.089 -16.852 441 HG22 VAL 56 1HG2 VAL 56 -0.648 9.677 -16.925 442 HG23 VAL 56 2HG2 VAL 56 1.039 9.531 -16.429 443 H ARG 57 H ARG 57 1.213 9.254 -12.345 444 HA ARG 57 HA ARG 57 3.670 10.618 -13.235 445 HB2 ARG 57 2HB ARG 57 4.372 10.778 -10.920 446 HB3 ARG 57 3HB ARG 57 2.794 11.530 -11.111 447 HG2 ARG 57 2HG ARG 57 1.704 9.649 -10.114 448 HG3 ARG 57 3HG ARG 57 3.211 8.731 -10.091 449 HD2 ARG 57 2HD ARG 57 4.133 10.073 -8.408 450 HD3 ARG 57 3HD ARG 57 2.954 11.358 -8.666 451 HE ARG 57 HE ARG 57 1.755 8.904 -7.807 452 HH11 ARG 57 1HH1 ARG 57 3.385 11.788 -6.737 453 HH12 ARG 57 2HH1 ARG 57 2.692 11.748 -5.150 454 HH21 ARG 57 1HH2 ARG 57 0.836 8.840 -5.720 455 HH22 ARG 57 2HH2 ARG 57 1.243 10.070 -4.572 456 H VAL 58 H VAL 58 5.638 9.467 -12.050 457 HA VAL 58 HA VAL 58 6.057 7.033 -13.269 458 HB VAL 58 HB VAL 58 7.881 8.376 -12.351 459 HG11 VAL 58 1HG1 VAL 58 8.061 8.997 -10.206 460 HG12 VAL 58 2HG1 VAL 58 6.364 8.528 -10.081 461 HG13 VAL 58 3HG1 VAL 58 7.631 7.395 -9.608 462 HG21 VAL 58 3HG2 VAL 58 7.743 5.650 -12.441 463 HG22 VAL 58 1HG2 VAL 58 9.214 6.583 -12.167 464 HG23 VAL 58 2HG2 VAL 58 8.315 5.933 -10.797 465 H GLY 59 H GLY 59 5.442 4.998 -12.903 466 HA2 GLY 59 2HA GLY 59 5.064 3.128 -11.460 467 HA3 GLY 59 3HA GLY 59 4.563 4.245 -10.200 468 H ASP 60 H ASP 60 2.855 5.791 -12.008 469 HA ASP 60 HA ASP 60 0.432 4.455 -11.589 470 HB2 ASP 60 2HB ASP 60 1.158 6.753 -13.408 471 HB3 ASP 60 3HB ASP 60 -0.495 6.180 -13.205 472 H TYR 61 H TYR 61 -1.134 4.376 -13.695 473 HA TYR 61 HA TYR 61 0.202 2.868 -15.818 474 HB2 TYR 61 2HB TYR 61 -2.206 1.825 -14.312 475 HB3 TYR 61 3HB TYR 61 -1.420 1.046 -15.680 476 HD1 TYR 61 HD2 TYR 61 -0.955 2.039 -12.144 477 HD2 TYR 61 HD1 TYR 61 0.477 -0.333 -15.373 478 HE1 TYR 61 HE2 TYR 61 0.540 0.845 -10.597 479 HE2 TYR 61 HE1 TYR 61 1.975 -1.534 -13.835 480 HH TYR 61 HH TYR 61 1.730 -1.238 -10.427 481 H LEU 62 H LEU 62 -1.042 2.672 -17.757 482 HA LEU 62 HA LEU 62 -3.550 4.095 -17.965 483 HB2 LEU 62 2HB LEU 62 -0.982 5.161 -19.050 484 HB3 LEU 62 3HB LEU 62 -2.478 5.434 -19.941 485 HG LEU 62 HG LEU 62 -1.921 6.325 -17.112 486 HD11 LEU 62 1HD1 LEU 62 -1.900 8.570 -18.049 487 HD12 LEU 62 2HD1 LEU 62 -2.128 7.910 -19.668 488 HD13 LEU 62 3HD1 LEU 62 -0.642 7.573 -18.781 489 HD21 LEU 62 3HD2 LEU 62 -4.140 7.609 -18.383 490 HD22 LEU 62 1HD2 LEU 62 -4.097 6.683 -16.882 491 HD23 LEU 62 2HD2 LEU 62 -4.369 5.860 -18.418 492 H GLY 63 H GLY 63 -4.695 3.619 -19.853 493 HA2 GLY 63 2HA GLY 63 -5.125 2.580 -21.891 494 HA3 GLY 63 3HA GLY 63 -3.451 2.048 -21.943 495 H ARG 64 H ARG 64 -5.366 0.310 -22.730 496 HA ARG 64 HA ARG 64 -6.203 -1.374 -20.549 497 HB2 ARG 64 2HB ARG 64 -6.508 -1.387 -23.511 498 HB3 ARG 64 3HB ARG 64 -6.673 -2.922 -22.669 499 HG2 ARG 64 2HG ARG 64 -8.420 -1.927 -21.248 500 HG3 ARG 64 3HG ARG 64 -8.282 -0.428 -22.169 501 HD2 ARG 64 2HD ARG 64 -10.160 -1.777 -22.950 502 HD3 ARG 64 3HD ARG 64 -8.930 -1.607 -24.202 503 HE ARG 64 HE ARG 64 -8.370 -3.958 -22.851 504 HH11 ARG 64 1HH1 ARG 64 -10.965 -2.646 -24.766 505 HH12 ARG 64 2HH1 ARG 64 -11.475 -4.188 -25.368 506 HH21 ARG 64 1HH2 ARG 64 -9.033 -5.995 -23.636 507 HH22 ARG 64 2HH2 ARG 64 -10.377 -6.092 -24.724 508 H ASN 65 H ASN 65 -3.354 -0.984 -22.307 509 HA ASN 65 HA ASN 65 -2.503 -3.755 -22.062 510 HB2 ASN 65 2HB ASN 65 -1.010 -1.331 -23.091 511 HB3 ASN 65 3HB ASN 65 -0.449 -2.998 -23.185 512 HD21 ASN 65 1HD2 ASN 65 -2.478 -4.421 -24.044 513 HD22 ASN 65 2HD2 ASN 65 -3.062 -3.864 -25.571 514 H ASP 66 H ASP 66 -2.923 -1.575 -19.839 515 HA ASP 66 HA ASP 66 -2.049 -1.132 -17.787 516 HB2 ASP 66 2HB ASP 66 -0.167 -3.448 -18.219 517 HB3 ASP 66 3HB ASP 66 -0.816 -2.841 -16.698 518 H GLY 67 H GLY 67 -1.026 0.389 -19.841 519 HA2 GLY 67 2HA GLY 67 1.772 0.445 -20.055 520 HA3 GLY 67 3HA GLY 67 0.704 1.810 -20.344 521 H LYS 68 H LYS 68 2.843 0.265 -18.113 522 HA LYS 68 HA LYS 68 2.240 2.007 -15.903 523 HB2 LYS 68 2HB LYS 68 3.108 -0.305 -15.604 524 HB3 LYS 68 3HB LYS 68 4.631 0.204 -16.319 525 HG2 LYS 68 2HG LYS 68 4.743 1.937 -14.462 526 HG3 LYS 68 3HG LYS 68 3.433 1.034 -13.698 527 HD2 LYS 68 2HD LYS 68 6.154 -0.037 -14.446 528 HD3 LYS 68 3HD LYS 68 5.576 0.314 -12.815 529 HE2 LYS 68 2HE LYS 68 3.823 -1.387 -13.091 530 HE3 LYS 68 3HE LYS 68 4.441 -1.750 -14.701 531 HZ1 LYS 68 3HZ LYS 68 6.405 -2.629 -13.820 532 HZ2 LYS 68 1HZ LYS 68 5.187 -3.246 -12.821 533 HZ3 LYS 68 2HZ LYS 68 6.143 -1.956 -12.290 534 H VAL 69 H VAL 69 3.465 3.717 -15.131 535 HA VAL 69 HA VAL 69 4.965 5.152 -17.143 536 HB VAL 69 HB VAL 69 4.474 5.972 -14.280 537 HG11 VAL 69 1HG1 VAL 69 5.146 7.558 -16.757 538 HG12 VAL 69 2HG1 VAL 69 4.788 8.243 -15.170 539 HG13 VAL 69 3HG1 VAL 69 6.220 7.237 -15.396 540 HG21 VAL 69 3HG2 VAL 69 2.302 5.864 -14.917 541 HG22 VAL 69 1HG2 VAL 69 2.687 7.418 -15.658 542 HG23 VAL 69 2HG2 VAL 69 2.687 5.951 -16.636 543 H VAL 70 H VAL 70 7.089 5.034 -17.392 544 HA VAL 70 HA VAL 70 8.737 4.213 -15.088 545 HB VAL 70 HB VAL 70 10.265 3.102 -16.580 546 HG11 VAL 70 1HG1 VAL 70 8.511 1.691 -15.830 547 HG12 VAL 70 2HG1 VAL 70 7.382 2.352 -17.014 548 HG13 VAL 70 3HG1 VAL 70 8.734 1.351 -17.545 549 HG21 VAL 70 3HG2 VAL 70 8.455 4.031 -18.808 550 HG22 VAL 70 1HG2 VAL 70 10.103 4.576 -18.497 551 HG23 VAL 70 2HG2 VAL 70 9.804 2.911 -18.993 552 H GLY 71 H GLY 71 8.376 6.340 -17.837 553 HA2 GLY 71 2HA GLY 71 10.532 8.012 -16.740 554 HA3 GLY 71 3HA GLY 71 10.559 7.594 -18.446 555 H ILE 72 H ILE 72 10.302 10.207 -17.030 556 HA ILE 72 HA ILE 72 7.983 11.155 -18.545 557 HB ILE 72 HB ILE 72 8.514 11.903 -15.667 558 HG12 ILE 72 2HG1 ILE 72 6.168 10.458 -16.919 559 HG13 ILE 72 3HG1 ILE 72 7.443 9.690 -15.979 560 HG21 ILE 72 1HG2 ILE 72 7.764 13.829 -16.912 561 HG22 ILE 72 2HG2 ILE 72 6.438 12.901 -17.611 562 HG23 ILE 72 3HG2 ILE 72 6.454 13.251 -15.883 563 HD11 ILE 72 3HD1 ILE 72 5.606 9.948 -14.534 564 HD12 ILE 72 1HD1 ILE 72 6.768 11.191 -14.072 565 HD13 ILE 72 2HD1 ILE 72 5.352 11.621 -15.032 566 H SER 73 H SER 73 8.486 12.858 -19.754 567 HA SER 73 HA SER 73 10.591 14.690 -18.863 568 HB2 SER 73 2HB SER 73 10.493 13.610 -21.685 569 HB3 SER 73 3HB SER 73 11.734 14.641 -20.973 570 HG SER 73 HG SER 73 12.525 12.962 -19.869 571 H GLU 74 H GLU 74 10.657 16.683 -20.274 572 HA GLU 74 HA GLU 74 7.976 17.696 -20.527 573 HB2 GLU 74 2HB GLU 74 9.050 19.833 -21.030 574 HB3 GLU 74 3HB GLU 74 9.761 19.095 -19.602 575 HG2 GLU 74 2HG GLU 74 11.688 18.403 -20.841 576 HG3 GLU 74 3HG GLU 74 10.957 18.928 -22.357 577 H GLY 75 H GLY 75 9.905 15.930 -22.546 578 HA2 GLY 75 2HA GLY 75 8.649 17.111 -24.947 579 HA3 GLY 75 3HA GLY 75 10.246 16.378 -24.960 580 H LYS 76 H LYS 76 9.111 14.276 -23.051 581 HA LYS 76 HA LYS 76 7.160 12.840 -24.568 582 HB2 LYS 76 2HB LYS 76 8.658 10.896 -25.081 583 HB3 LYS 76 3HB LYS 76 8.986 12.339 -26.032 584 HG2 LYS 76 2HG LYS 76 10.538 12.093 -23.547 585 HG3 LYS 76 3HG LYS 76 10.876 10.878 -24.783 586 HD2 LYS 76 2HD LYS 76 10.714 13.739 -25.597 587 HD3 LYS 76 3HD LYS 76 12.155 13.183 -24.743 588 HE2 LYS 76 2HE LYS 76 11.116 11.637 -27.080 589 HE3 LYS 76 3HE LYS 76 12.062 13.100 -27.349 590 HZ1 LYS 76 3HZ LYS 76 13.622 11.395 -27.341 591 HZ2 LYS 76 1HZ LYS 76 12.897 10.586 -26.043 592 HZ3 LYS 76 2HZ LYS 76 13.737 12.029 -25.777 593 H ILE 77 H ILE 77 6.924 10.544 -23.668 594 HA ILE 77 HA ILE 77 7.773 10.386 -20.865 595 HB ILE 77 HB ILE 77 4.929 9.924 -21.769 596 HG12 ILE 77 2HG1 ILE 77 4.950 11.921 -19.840 597 HG13 ILE 77 3HG1 ILE 77 6.333 12.311 -20.856 598 HG21 ILE 77 1HG2 ILE 77 6.043 9.966 -18.972 599 HG22 ILE 77 2HG2 ILE 77 4.413 9.524 -19.475 600 HG23 ILE 77 3HG2 ILE 77 5.777 8.492 -19.902 601 HD11 ILE 77 3HD1 ILE 77 3.809 11.649 -22.237 602 HD12 ILE 77 1HD1 ILE 77 3.872 13.178 -21.361 603 HD13 ILE 77 2HD1 ILE 77 5.047 12.841 -22.634 604 H ASP 78 H ASP 78 8.570 8.451 -20.385 605 HA ASP 78 HA ASP 78 8.227 6.268 -22.283 606 HB2 ASP 78 2HB ASP 78 9.950 6.256 -19.806 607 HB3 ASP 78 3HB ASP 78 10.098 5.236 -21.235 608 H VAL 79 H VAL 79 7.048 4.486 -21.925 609 HA VAL 79 HA VAL 79 6.208 3.803 -19.217 610 HB VAL 79 HB VAL 79 3.867 3.688 -19.730 611 HG11 VAL 79 1HG1 VAL 79 4.781 6.361 -20.762 612 HG12 VAL 79 2HG1 VAL 79 3.331 5.986 -19.828 613 HG13 VAL 79 3HG1 VAL 79 4.920 5.894 -19.067 614 HG21 VAL 79 3HG2 VAL 79 3.345 4.899 -22.095 615 HG22 VAL 79 1HG2 VAL 79 4.822 4.021 -22.491 616 HG23 VAL 79 2HG2 VAL 79 3.418 3.151 -21.872 617 H ILE 80 H ILE 80 5.608 1.644 -18.956 618 HA ILE 80 HA ILE 80 6.410 -0.097 -21.177 619 HB ILE 80 HB ILE 80 6.402 -0.412 -18.210 620 HG12 ILE 80 2HG1 ILE 80 8.426 0.236 -19.568 621 HG13 ILE 80 3HG1 ILE 80 8.637 -1.195 -18.566 622 HG21 ILE 80 1HG2 ILE 80 6.790 -2.890 -18.596 623 HG22 ILE 80 2HG2 ILE 80 5.130 -2.318 -18.752 624 HG23 ILE 80 3HG2 ILE 80 6.089 -2.647 -20.195 625 HD11 ILE 80 3HD1 ILE 80 8.405 -2.629 -20.466 626 HD12 ILE 80 1HD1 ILE 80 7.986 -1.264 -21.500 627 HD13 ILE 80 2HD1 ILE 80 9.611 -1.396 -20.828 628 H GLU 81 H GLU 81 4.845 -0.952 -22.362 629 HA GLU 81 HA GLU 81 2.225 -1.434 -21.111 630 HB2 GLU 81 2HB GLU 81 2.876 -1.117 -24.046 631 HB3 GLU 81 3HB GLU 81 1.271 -1.306 -23.353 632 HG2 GLU 81 2HG GLU 81 1.139 0.845 -22.728 633 HG3 GLU 81 3HG GLU 81 2.842 0.932 -22.281 634 H ILE 82 H ILE 82 1.010 -3.316 -21.965 635 HA ILE 82 HA ILE 82 2.837 -5.582 -22.399 636 HB ILE 82 HB ILE 82 0.014 -5.732 -21.350 637 HG12 ILE 82 2HG1 ILE 82 1.375 -4.415 -19.801 638 HG13 ILE 82 3HG1 ILE 82 1.015 -5.996 -19.115 639 HG21 ILE 82 1HG2 ILE 82 1.404 -7.892 -20.411 640 HG22 ILE 82 2HG2 ILE 82 0.355 -7.891 -21.827 641 HG23 ILE 82 3HG2 ILE 82 2.094 -7.670 -22.019 642 HD11 ILE 82 3HD1 ILE 82 3.600 -5.244 -20.457 643 HD12 ILE 82 1HD1 ILE 82 3.327 -5.283 -18.715 644 HD13 ILE 82 2HD1 ILE 82 3.234 -6.772 -19.656 645 H VAL 83 H VAL 83 2.669 -6.786 -24.189 646 HA VAL 83 HA VAL 83 0.237 -6.594 -25.818 647 HB VAL 83 HB VAL 83 1.725 -6.541 -27.873 648 HG11 VAL 83 1HG1 VAL 83 1.683 -4.209 -27.975 649 HG12 VAL 83 2HG1 VAL 83 0.416 -4.602 -26.811 650 HG13 VAL 83 3HG1 VAL 83 1.988 -4.034 -26.247 651 HG21 VAL 83 3HG2 VAL 83 3.835 -7.119 -26.866 652 HG22 VAL 83 1HG2 VAL 83 3.951 -5.496 -27.546 653 HG23 VAL 83 2HG2 VAL 83 3.759 -5.711 -25.806 654 HA PRO 84 HA PRO 84 0.643 -10.940 -26.293 655 HB2 PRO 84 2HB PRO 84 -0.438 -11.302 -28.757 656 HB3 PRO 84 3HB PRO 84 -1.405 -10.896 -27.334 657 HG2 PRO 84 2HG PRO 84 -0.404 -9.109 -29.517 658 HG3 PRO 84 3HG PRO 84 -1.998 -9.142 -28.742 659 HD2 PRO 84 2HD PRO 84 -0.097 -7.329 -28.086 660 HD3 PRO 84 3HD PRO 84 -1.270 -7.951 -26.908 661 H ASP 85 H ASP 85 1.850 -12.568 -27.306 662 HA ASP 85 HA ASP 85 4.141 -11.590 -28.810 663 HB2 ASP 85 2HB ASP 85 4.238 -13.209 -26.802 664 HB3 ASP 85 3HB ASP 85 3.709 -14.440 -27.946 665 H GLY 86 H GLY 86 1.227 -13.387 -29.309 666 HA2 GLY 86 2HA GLY 86 0.487 -13.394 -31.681 667 HA3 GLY 86 3HA GLY 86 2.102 -13.967 -32.073 668 H GLU 87 H GLU 87 1.760 -15.576 -29.407 669 HA GLU 87 HA GLU 87 0.368 -17.829 -30.693 670 HB2 GLU 87 2HB GLU 87 1.736 -19.209 -29.022 671 HB3 GLU 87 3HB GLU 87 2.597 -18.489 -30.376 672 HG2 GLU 87 2HG GLU 87 3.370 -16.682 -28.943 673 HG3 GLU 87 3HG GLU 87 2.484 -17.370 -27.584 674 H GLY 88 H GLY 88 0.732 -15.995 -27.714 675 HA2 GLY 88 2HA GLY 88 -1.814 -16.093 -26.809 676 HA3 GLY 88 3HA GLY 88 -1.161 -17.633 -26.268 677 H ASN 89 H ASN 89 1.543 -16.280 -26.008 678 HA ASN 89 HA ASN 89 1.135 -15.398 -23.274 679 HB2 ASN 89 2HB ASN 89 3.802 -15.494 -24.656 680 HB3 ASN 89 3HB ASN 89 3.431 -15.734 -22.951 681 HD21 ASN 89 1HD2 ASN 89 3.715 -17.188 -26.041 682 HD22 ASN 89 2HD2 ASN 89 3.410 -18.816 -25.550 683 H TRP 90 H TRP 90 2.089 -13.436 -22.443 684 HA TRP 90 HA TRP 90 1.972 -11.261 -24.414 685 HB2 TRP 90 2HB TRP 90 1.684 -11.143 -21.404 686 HB3 TRP 90 3HB TRP 90 1.507 -9.784 -22.510 687 HD1 TRP 90 HD1 TRP 90 -0.274 -13.022 -21.451 688 HE1 TRP 90 HE1 TRP 90 -2.747 -12.852 -22.144 689 HE3 TRP 90 HE3 TRP 90 -0.076 -8.655 -24.103 690 HZ2 TRP 90 HZ2 TRP 90 -4.396 -11.099 -23.620 691 HZ3 TRP 90 HZ3 TRP 90 -2.145 -7.801 -25.124 692 HH2 TRP 90 HH2 TRP 90 -4.259 -8.999 -24.887 693 H LEU 91 H LEU 91 3.396 -9.360 -23.941 694 HA LEU 91 HA LEU 91 5.879 -9.983 -22.561 695 HB2 LEU 91 2HB LEU 91 5.610 -9.676 -25.512 696 HB3 LEU 91 3HB LEU 91 7.054 -9.049 -24.721 697 HG LEU 91 HG LEU 91 6.199 -11.894 -24.318 698 HD11 LEU 91 1HD1 LEU 91 6.293 -11.496 -26.744 699 HD12 LEU 91 2HD1 LEU 91 7.579 -12.566 -26.187 700 HD13 LEU 91 3HD1 LEU 91 7.936 -10.881 -26.564 701 HD21 LEU 91 3HD2 LEU 91 9.005 -10.918 -24.477 702 HD22 LEU 91 1HD2 LEU 91 8.313 -12.221 -23.511 703 HD23 LEU 91 2HD2 LEU 91 8.059 -10.541 -23.036 704 H GLU 92 H GLU 92 7.326 -8.086 -22.432 705 HA GLU 92 HA GLU 92 5.806 -5.729 -21.838 706 HB2 GLU 92 2HB GLU 92 7.924 -4.795 -21.071 707 HB3 GLU 92 3HB GLU 92 7.703 -6.421 -20.440 708 HG2 GLU 92 2HG GLU 92 9.205 -6.145 -22.974 709 HG3 GLU 92 3HG GLU 92 9.990 -5.588 -21.498 710 H ARG 93 H ARG 93 6.099 -3.645 -22.739 711 HA ARG 93 HA ARG 93 7.558 -3.422 -25.245 712 HB2 ARG 93 2HB ARG 93 5.076 -4.226 -25.571 713 HB3 ARG 93 3HB ARG 93 4.701 -2.533 -25.276 714 HG2 ARG 93 2HG ARG 93 6.630 -2.252 -27.119 715 HG3 ARG 93 3HG ARG 93 5.973 -3.817 -27.602 716 HD2 ARG 93 2HD ARG 93 3.693 -2.752 -27.542 717 HD3 ARG 93 3HD ARG 93 4.506 -1.201 -27.339 718 HE ARG 93 HE ARG 93 5.620 -2.418 -29.570 719 HH11 ARG 93 1HH1 ARG 93 2.515 -1.213 -28.555 720 HH12 ARG 93 2HH1 ARG 93 2.004 -0.805 -30.160 721 HH21 ARG 93 1HH2 ARG 93 4.958 -1.885 -31.687 722 HH22 ARG 93 2HH2 ARG 93 3.393 -1.189 -31.940 723 HA PRO 94 HA PRO 94 7.949 0.382 -22.747 724 HB2 PRO 94 2HB PRO 94 10.447 0.954 -23.642 725 HB3 PRO 94 3HB PRO 94 10.136 -0.176 -22.319 726 HG2 PRO 94 2HG PRO 94 10.693 -0.744 -25.205 727 HG3 PRO 94 3HG PRO 94 11.326 -1.558 -23.762 728 HD2 PRO 94 2HD PRO 94 9.299 -2.579 -25.239 729 HD3 PRO 94 3HD PRO 94 9.419 -2.822 -23.485 730 H ARG 95 H ARG 95 6.434 1.590 -23.894 731 HA ARG 95 HA ARG 95 7.275 2.687 -26.484 732 HB2 ARG 95 2HB ARG 95 4.805 1.730 -25.545 733 HB3 ARG 95 3HB ARG 95 4.620 3.474 -25.670 734 HG2 ARG 95 2HG ARG 95 5.749 3.060 -28.026 735 HG3 ARG 95 3HG ARG 95 5.059 1.453 -27.792 736 HD2 ARG 95 2HD ARG 95 2.947 2.184 -28.057 737 HD3 ARG 95 3HD ARG 95 3.248 3.677 -27.170 738 HE ARG 95 HE ARG 95 4.459 3.596 -29.780 739 HH11 ARG 95 1HH1 ARG 95 1.598 4.382 -27.959 740 HH12 ARG 95 2HH1 ARG 95 1.001 5.507 -29.134 741 HH21 ARG 95 1HH2 ARG 95 3.684 5.074 -31.334 742 HH22 ARG 95 2HH2 ARG 95 2.188 5.899 -31.054 743 H SER 96 H SER 96 7.417 4.882 -26.847 744 HA SER 96 HA SER 96 7.356 6.572 -24.433 745 HB2 SER 96 2HB SER 96 8.959 7.625 -26.627 746 HB3 SER 96 3HB SER 96 9.398 7.367 -24.938 747 HG SER 96 HG SER 96 10.613 6.074 -26.429 748 H LEU 97 H LEU 97 5.890 8.133 -24.427 749 HA LEU 97 HA LEU 97 4.565 8.850 -26.932 750 HB2 LEU 97 2HB LEU 97 3.760 9.815 -24.214 751 HB3 LEU 97 3HB LEU 97 2.768 9.622 -25.658 752 HG LEU 97 HG LEU 97 3.470 7.052 -25.199 753 HD11 LEU 97 1HD1 LEU 97 4.507 6.988 -23.201 754 HD12 LEU 97 2HD1 LEU 97 2.858 7.044 -22.580 755 HD13 LEU 97 3HD1 LEU 97 3.817 8.521 -22.669 756 HD21 LEU 97 3HD2 LEU 97 1.158 8.406 -23.824 757 HD22 LEU 97 1HD2 LEU 97 1.250 6.741 -24.398 758 HD23 LEU 97 2HD2 LEU 97 1.208 8.071 -25.556 759 H THR 98 H THR 98 5.638 10.406 -27.990 760 HA THR 98 HA THR 98 6.889 12.591 -26.528 761 HB THR 98 HB THR 98 7.807 13.290 -28.674 762 HG1 THR 98 HG1 THR 98 6.538 12.820 -30.316 763 HG21 THR 98 3HG2 THR 98 9.418 11.791 -28.336 764 HG22 THR 98 1HG2 THR 98 8.459 10.562 -29.159 765 HG23 THR 98 2HG2 THR 98 8.294 10.789 -27.418 766 H LEU 99 H LEU 99 6.395 14.783 -26.858 767 HA LEU 99 HA LEU 99 3.735 15.497 -26.877 768 HB2 LEU 99 2HB LEU 99 6.096 16.806 -26.510 769 HB3 LEU 99 3HB LEU 99 5.525 17.524 -28.014 770 HG LEU 99 HG LEU 99 3.392 17.480 -26.097 771 HD11 LEU 99 1HD1 LEU 99 4.234 18.707 -24.307 772 HD12 LEU 99 2HD1 LEU 99 5.731 19.098 -25.153 773 HD13 LEU 99 3HD1 LEU 99 5.453 17.459 -24.566 774 HD21 LEU 99 3HD2 LEU 99 3.354 18.979 -27.928 775 HD22 LEU 99 1HD2 LEU 99 4.952 19.615 -27.534 776 HD23 LEU 99 2HD2 LEU 99 3.579 19.968 -26.484 777 H LYS 100 H LYS 100 2.220 15.810 -28.383 778 HA LYS 100 HA LYS 100 1.179 15.777 -30.408 779 HB2 LYS 100 2HB LYS 100 2.595 17.973 -30.399 780 HB3 LYS 100 3HB LYS 100 3.571 17.137 -31.599 781 HG2 LYS 100 2HG LYS 100 1.708 16.941 -33.080 782 HG3 LYS 100 3HG LYS 100 0.601 17.549 -31.847 783 HD2 LYS 100 2HD LYS 100 2.909 19.258 -32.609 784 HD3 LYS 100 3HD LYS 100 1.577 19.111 -33.758 785 HE2 LYS 100 2HE LYS 100 1.131 19.790 -30.864 786 HE3 LYS 100 3HE LYS 100 1.470 21.027 -32.074 787 HZ1 LYS 100 3HZ LYS 100 -0.489 20.468 -33.252 788 HZ2 LYS 100 1HZ LYS 100 -0.935 20.611 -31.626 789 HZ3 LYS 100 2HZ LYS 100 -0.752 19.080 -32.321 790 H GLU 101 H GLU 101 2.262 13.389 -29.955 791 HA GLU 101 HA GLU 101 4.155 12.459 -31.813 792 HB2 GLU 101 2HB GLU 101 3.569 10.277 -31.123 793 HB3 GLU 101 3HB GLU 101 3.337 11.293 -29.708 794 HG2 GLU 101 2HG GLU 101 1.152 10.380 -31.564 795 HG3 GLU 101 3HG GLU 101 1.538 9.656 -30.003 796 H ARG 102 H ARG 102 3.548 10.662 -33.438 797 HA ARG 102 HA ARG 102 1.064 10.701 -34.755 798 HB2 ARG 102 2HB ARG 102 1.753 11.895 -36.833 799 HB3 ARG 102 3HB ARG 102 1.603 12.945 -35.430 800 HG2 ARG 102 2HG ARG 102 4.104 12.703 -35.146 801 HG3 ARG 102 3HG ARG 102 4.114 11.959 -36.746 802 HD2 ARG 102 2HD ARG 102 2.745 14.114 -37.387 803 HD3 ARG 102 3HD ARG 102 3.537 14.773 -35.956 804 HE ARG 102 HE ARG 102 5.357 13.487 -37.759 805 HH11 ARG 102 1HH1 ARG 102 3.659 16.445 -37.060 806 HH12 ARG 102 2HH1 ARG 102 4.802 17.450 -37.890 807 HH21 ARG 102 1HH2 ARG 102 6.868 14.799 -38.853 808 HH22 ARG 102 2HH2 ARG 102 6.626 16.512 -38.910 809 H SER 103 H SER 103 0.928 8.902 -35.942 810 HA SER 103 HA SER 103 3.095 7.879 -37.497 811 HB2 SER 103 2HB SER 103 2.517 6.704 -34.809 812 HB3 SER 103 3HB SER 103 2.960 5.619 -36.126 813 HG SER 103 HG SER 103 4.592 6.974 -34.631 814 H LEU 104 H LEU 104 2.480 5.501 -38.203 815 HA LEU 104 HA LEU 104 -0.420 5.478 -38.731 816 HB2 LEU 104 2HB LEU 104 1.783 4.504 -40.543 817 HB3 LEU 104 3HB LEU 104 0.057 4.482 -40.896 818 HG LEU 104 HG LEU 104 1.783 6.938 -40.591 819 HD11 LEU 104 1HD1 LEU 104 2.269 5.886 -42.664 820 HD12 LEU 104 2HD1 LEU 104 1.177 7.227 -43.009 821 HD13 LEU 104 3HD1 LEU 104 0.562 5.574 -42.980 822 HD21 LEU 104 3HD2 LEU 104 -0.440 7.391 -39.777 823 HD22 LEU 104 1HD2 LEU 104 -1.154 6.642 -41.206 824 HD23 LEU 104 2HD2 LEU 104 -0.237 8.141 -41.362 825 H GLU 105 H GLU 105 -0.527 4.161 -36.762 826 HA GLU 105 HA GLU 105 0.687 1.563 -36.740 827 HB2 GLU 105 2HB GLU 105 -0.157 3.089 -34.756 828 HB3 GLU 105 3HB GLU 105 -1.668 2.233 -35.028 829 HG2 GLU 105 2HG GLU 105 -0.655 0.963 -33.396 830 HG3 GLU 105 3HG GLU 105 -0.226 0.101 -34.872 831 H HIS 106 H HIS 106 0.063 0.220 -38.335 832 HA HIS 106 HA HIS 106 -2.805 -0.075 -38.886 833 HB2 HIS 106 2HB HIS 106 -0.326 -0.683 -40.465 834 HB3 HIS 106 3HB HIS 106 -1.844 -1.487 -40.855 835 HD1 HIS 106 HD1 HIS 106 0.055 1.350 -41.798 836 HD2 HIS 106 HD2 HIS 106 -3.996 0.635 -41.217 837 HE1 HIS 106 HE1 HIS 106 -1.136 3.182 -43.043 838 H HIS 107 H HIS 107 -3.467 -2.376 -39.470 839 HA HIS 107 HA HIS 107 -2.281 -4.236 -37.515 840 HB2 HIS 107 2HB HIS 107 -5.148 -4.171 -38.478 841 HB3 HIS 107 3HB HIS 107 -4.482 -5.235 -37.242 842 HD1 HIS 107 HD1 HIS 107 -3.260 -3.644 -35.206 843 HD2 HIS 107 HD2 HIS 107 -6.483 -2.128 -37.346 844 HE1 HIS 107 HE1 HIS 107 -4.215 -1.810 -33.774 845 H HIS 108 H HIS 108 -0.916 -5.399 -38.784 846 HA HIS 108 HA HIS 108 -2.095 -6.749 -41.124 847 HB2 HIS 108 2HB HIS 108 0.796 -6.018 -40.613 848 HB3 HIS 108 3HB HIS 108 0.217 -6.932 -42.002 849 HD1 HIS 108 HD1 HIS 108 1.537 -3.885 -41.672 850 HD2 HIS 108 HD2 HIS 108 -2.273 -5.011 -42.886 851 HE1 HIS 108 HE1 HIS 108 0.665 -1.954 -43.027 852 H HIS 109 H HIS 109 -2.413 -7.727 -38.494 853 HA HIS 109 HA HIS 109 -1.131 -10.321 -38.803 854 HB2 HIS 109 2HB HIS 109 0.305 -8.849 -37.286 855 HB3 HIS 109 3HB HIS 109 -1.019 -8.934 -36.128 856 HD1 HIS 109 HD1 HIS 109 0.465 -11.729 -38.233 857 HD2 HIS 109 HD2 HIS 109 -0.075 -10.655 -34.256 858 HE1 HIS 109 HE1 HIS 109 1.270 -13.697 -36.890 859 H HIS 110 H HIS 110 -2.233 -12.019 -37.775 860 HA HIS 110 HA HIS 110 -4.666 -11.399 -36.300 861 HB2 HIS 110 2HB HIS 110 -4.605 -12.670 -39.016 862 HB3 HIS 110 3HB HIS 110 -5.859 -13.122 -37.865 863 HD1 HIS 110 HD1 HIS 110 -5.988 -11.358 -40.649 864 HD2 HIS 110 HD2 HIS 110 -6.502 -10.085 -36.728 865 HE1 HIS 110 HE1 HIS 110 -7.347 -9.247 -40.800 866 H HIS 111 H HIS 111 -4.420 -12.579 -34.523 867 HA HIS 111 HA HIS 111 -2.891 -15.003 -34.480 868 HB2 HIS 111 2HB HIS 111 -3.308 -15.036 -32.124 869 HB3 HIS 111 3HB HIS 111 -3.029 -13.358 -32.579 870 HD1 HIS 111 HD1 HIS 111 -5.757 -15.700 -31.490 871 HD2 HIS 111 HD2 HIS 111 -5.169 -11.643 -32.165 872 HE1 HIS 111 HE1 HIS 111 -7.796 -14.560 -30.558 Start of MODEL 4 1 H1 ASP 1 H ASP 1 10.931 -1.114 -8.423 2 HA ASP 1 HA ASP 1 8.536 0.006 -9.373 3 HB2 ASP 1 2HB ASP 1 9.666 0.677 -7.264 4 HB3 ASP 1 3HB ASP 1 10.922 1.462 -8.217 5 H LEU 2 H LEU 2 11.823 0.161 -10.555 6 HA LEU 2 HA LEU 2 11.062 2.121 -12.591 7 HB2 LEU 2 2HB LEU 2 13.670 1.071 -11.571 8 HB3 LEU 2 3HB LEU 2 13.585 1.857 -13.146 9 HG LEU 2 HG LEU 2 12.604 3.859 -11.953 10 HD11 LEU 2 1HD1 LEU 2 11.892 3.314 -9.877 11 HD12 LEU 2 2HD1 LEU 2 13.546 3.756 -9.454 12 HD13 LEU 2 3HD1 LEU 2 13.114 2.060 -9.664 13 HD21 LEU 2 3HD2 LEU 2 14.661 4.720 -11.990 14 HD22 LEU 2 1HD2 LEU 2 15.213 3.100 -12.419 15 HD23 LEU 2 2HD2 LEU 2 15.233 3.621 -10.733 16 H THR 3 H THR 3 12.123 1.683 -14.807 17 HA THR 3 HA THR 3 10.880 -0.484 -16.005 18 HB THR 3 HB THR 3 11.569 1.350 -17.376 19 HG1 THR 3 HG1 THR 3 13.360 -0.632 -18.254 20 HG21 THR 3 3HG2 THR 3 13.451 2.376 -16.660 21 HG22 THR 3 1HG2 THR 3 14.243 1.295 -17.806 22 HG23 THR 3 2HG2 THR 3 14.180 0.874 -16.094 23 H VAL 4 H VAL 4 11.451 -2.545 -16.514 24 HA VAL 4 HA VAL 4 14.066 -3.582 -16.454 25 HB VAL 4 HB VAL 4 13.782 -3.218 -14.005 26 HG11 VAL 4 1HG1 VAL 4 11.263 -3.859 -14.203 27 HG12 VAL 4 2HG1 VAL 4 11.857 -5.502 -13.955 28 HG13 VAL 4 3HG1 VAL 4 12.160 -4.260 -12.739 29 HG21 VAL 4 3HG2 VAL 4 14.616 -5.393 -13.344 30 HG22 VAL 4 1HG2 VAL 4 13.960 -6.119 -14.811 31 HG23 VAL 4 2HG2 VAL 4 15.280 -4.955 -14.919 32 H ARG 5 H ARG 5 14.158 -5.749 -17.101 33 HA ARG 5 HA ARG 5 11.650 -6.755 -18.204 34 HB2 ARG 5 2HB ARG 5 14.548 -7.376 -18.717 35 HB3 ARG 5 3HB ARG 5 13.269 -8.425 -19.313 36 HG2 ARG 5 2HG ARG 5 13.364 -5.486 -19.918 37 HG3 ARG 5 3HG ARG 5 14.157 -6.699 -20.925 38 HD2 ARG 5 2HD ARG 5 11.990 -7.826 -21.232 39 HD3 ARG 5 3HD ARG 5 11.216 -6.569 -20.269 40 HE ARG 5 HE ARG 5 11.262 -5.199 -22.097 41 HH11 ARG 5 1HH1 ARG 5 13.496 -7.822 -22.595 42 HH12 ARG 5 2HH1 ARG 5 13.832 -7.396 -24.240 43 HH21 ARG 5 1HH2 ARG 5 11.696 -4.628 -24.263 44 HH22 ARG 5 2HH2 ARG 5 12.808 -5.578 -25.188 45 H GLN 6 H GLN 6 10.641 -8.547 -17.507 46 HA GLN 6 HA GLN 6 12.044 -10.327 -15.645 47 HB2 GLN 6 2HB GLN 6 9.916 -10.431 -14.285 48 HB3 GLN 6 3HB GLN 6 10.820 -8.927 -14.169 49 HG2 GLN 6 2HG GLN 6 8.624 -9.153 -16.167 50 HG3 GLN 6 3HG GLN 6 8.228 -8.911 -14.466 51 HE21 GLN 6 1HE2 GLN 6 8.534 -7.320 -17.229 52 HE22 GLN 6 2HE2 GLN 6 9.083 -5.783 -16.665 53 H LYS 7 H LYS 7 11.451 -12.467 -15.739 54 HA LYS 7 HA LYS 7 9.194 -13.263 -17.391 55 HB2 LYS 7 2HB LYS 7 10.442 -14.583 -18.924 56 HB3 LYS 7 3HB LYS 7 11.195 -12.994 -18.909 57 HG2 LYS 7 2HG LYS 7 13.094 -14.158 -18.702 58 HG3 LYS 7 3HG LYS 7 12.638 -14.254 -16.999 59 HD2 LYS 7 2HD LYS 7 11.280 -16.363 -17.912 60 HD3 LYS 7 3HD LYS 7 12.576 -16.335 -19.111 61 HE2 LYS 7 2HE LYS 7 13.140 -16.199 -16.165 62 HE3 LYS 7 3HE LYS 7 12.929 -17.738 -16.997 63 HZ1 LYS 7 3HZ LYS 7 15.145 -17.517 -17.261 64 HZ2 LYS 7 1HZ LYS 7 15.120 -15.829 -17.154 65 HZ3 LYS 7 2HZ LYS 7 14.687 -16.591 -18.600 66 H GLY 8 H GLY 8 8.308 -15.174 -16.766 67 HA2 GLY 8 2HA GLY 8 9.814 -17.098 -15.224 68 HA3 GLY 8 3HA GLY 8 8.610 -16.223 -14.290 69 H ASN 9 H ASN 9 7.765 -18.444 -13.988 70 HA ASN 9 HA ASN 9 6.721 -19.998 -16.059 71 HB2 ASN 9 2HB ASN 9 6.182 -19.769 -13.129 72 HB3 ASN 9 3HB ASN 9 5.064 -20.705 -14.117 73 HD21 ASN 9 1HD2 ASN 9 5.677 -22.662 -14.904 74 HD22 ASN 9 2HD2 ASN 9 7.172 -23.429 -14.503 75 H LYS 10 H LYS 10 4.187 -20.480 -15.995 76 HA LYS 10 HA LYS 10 2.951 -18.319 -17.294 77 HB2 LYS 10 2HB LYS 10 0.934 -19.679 -17.280 78 HB3 LYS 10 3HB LYS 10 2.331 -20.675 -17.667 79 HG2 LYS 10 2HG LYS 10 2.363 -21.595 -15.454 80 HG3 LYS 10 3HG LYS 10 1.094 -20.486 -14.929 81 HD2 LYS 10 2HD LYS 10 -0.458 -21.525 -16.520 82 HD3 LYS 10 3HD LYS 10 0.813 -22.642 -17.024 83 HE2 LYS 10 2HE LYS 10 -0.219 -22.412 -14.201 84 HE3 LYS 10 3HE LYS 10 -0.810 -23.587 -15.374 85 HZ1 LYS 10 3HZ LYS 10 0.868 -24.907 -14.846 86 HZ2 LYS 10 1HZ LYS 10 1.428 -23.783 -13.713 87 HZ3 LYS 10 2HZ LYS 10 1.987 -23.725 -15.308 88 H VAL 11 H VAL 11 0.691 -17.534 -16.584 89 HA VAL 11 HA VAL 11 0.612 -16.994 -13.700 90 HB VAL 11 HB VAL 11 0.113 -14.812 -15.715 91 HG11 VAL 11 1HG1 VAL 11 -0.847 -14.025 -13.820 92 HG12 VAL 11 2HG1 VAL 11 0.132 -15.049 -12.767 93 HG13 VAL 11 3HG1 VAL 11 0.817 -13.573 -13.449 94 HG21 VAL 11 3HG2 VAL 11 2.665 -15.398 -14.216 95 HG22 VAL 11 1HG2 VAL 11 2.428 -15.489 -15.961 96 HG23 VAL 11 2HG2 VAL 11 2.340 -13.931 -15.140 97 H ILE 12 H ILE 12 -1.472 -16.306 -12.920 98 HA ILE 12 HA ILE 12 -3.613 -17.752 -14.062 99 HB ILE 12 HB ILE 12 -3.774 -15.544 -12.009 100 HG12 ILE 12 2HG1 ILE 12 -3.465 -18.530 -11.623 101 HG13 ILE 12 3HG1 ILE 12 -2.205 -17.332 -11.350 102 HG21 ILE 12 1HG2 ILE 12 -5.771 -17.101 -13.310 103 HG22 ILE 12 2HG2 ILE 12 -5.707 -17.569 -11.612 104 HG23 ILE 12 3HG2 ILE 12 -5.966 -15.881 -12.052 105 HD11 ILE 12 3HD1 ILE 12 -2.942 -17.608 -9.224 106 HD12 ILE 12 1HD1 ILE 12 -4.024 -16.313 -9.734 107 HD13 ILE 12 2HD1 ILE 12 -4.591 -17.983 -9.723 108 H LYS 13 H LYS 13 -5.149 -17.198 -15.480 109 HA LYS 13 HA LYS 13 -4.928 -15.032 -17.180 110 HB2 LYS 13 2HB LYS 13 -7.309 -15.511 -17.798 111 HB3 LYS 13 3HB LYS 13 -6.255 -16.918 -17.822 112 HG2 LYS 13 2HG LYS 13 -7.764 -17.944 -16.566 113 HG3 LYS 13 3HG LYS 13 -7.283 -16.876 -15.246 114 HD2 LYS 13 2HD LYS 13 -9.670 -16.758 -15.500 115 HD3 LYS 13 3HD LYS 13 -8.970 -15.230 -16.040 116 HE2 LYS 13 2HE LYS 13 -9.232 -15.841 -18.333 117 HE3 LYS 13 3HE LYS 13 -9.681 -17.490 -17.901 118 HZ1 LYS 13 3HZ LYS 13 -11.530 -16.098 -16.582 119 HZ2 LYS 13 1HZ LYS 13 -11.747 -16.686 -18.153 120 HZ3 LYS 13 2HZ LYS 13 -11.287 -15.077 -17.909 121 HA PRO 14 HA PRO 14 -6.547 -11.515 -15.110 122 HB2 PRO 14 2HB PRO 14 -7.755 -10.201 -17.155 123 HB3 PRO 14 3HB PRO 14 -5.999 -10.304 -16.984 124 HG2 PRO 14 2HG PRO 14 -7.831 -11.914 -18.720 125 HG3 PRO 14 3HG PRO 14 -6.253 -11.207 -19.112 126 HD2 PRO 14 2HD PRO 14 -6.564 -13.825 -18.496 127 HD3 PRO 14 3HD PRO 14 -5.093 -12.917 -18.092 128 H ASP 15 H ASP 15 -8.410 -10.665 -14.195 129 HA ASP 15 HA ASP 15 -10.916 -12.071 -14.853 130 HB2 ASP 15 2HB ASP 15 -9.720 -11.331 -12.200 131 HB3 ASP 15 3HB ASP 15 -11.464 -11.514 -12.368 132 H GLU 16 H GLU 16 -12.809 -10.737 -13.675 133 HA GLU 16 HA GLU 16 -12.579 -8.015 -14.758 134 HB2 GLU 16 2HB GLU 16 -15.035 -9.684 -14.190 135 HB3 GLU 16 3HB GLU 16 -15.055 -8.046 -14.826 136 HG2 GLU 16 2HG GLU 16 -13.586 -10.236 -16.240 137 HG3 GLU 16 3HG GLU 16 -15.319 -10.002 -16.460 138 H THR 17 H THR 17 -13.152 -9.840 -11.878 139 HA THR 17 HA THR 17 -14.499 -8.039 -10.268 140 HB THR 17 HB THR 17 -14.065 -10.268 -9.470 141 HG1 THR 17 HG1 THR 17 -13.858 -9.616 -7.449 142 HG21 THR 17 3HG2 THR 17 -12.091 -11.265 -9.727 143 HG22 THR 17 1HG2 THR 17 -11.337 -10.093 -8.647 144 HG23 THR 17 2HG2 THR 17 -11.431 -9.765 -10.377 145 H ARG 18 H ARG 18 -11.177 -8.012 -11.324 146 HA ARG 18 HA ARG 18 -10.040 -6.305 -9.445 147 HB2 ARG 18 2HB ARG 18 -9.477 -6.691 -12.382 148 HB3 ARG 18 3HB ARG 18 -8.506 -5.635 -11.364 149 HG2 ARG 18 2HG ARG 18 -8.392 -7.828 -9.869 150 HG3 ARG 18 3HG ARG 18 -8.658 -8.589 -11.439 151 HD2 ARG 18 2HD ARG 18 -6.685 -6.491 -11.621 152 HD3 ARG 18 3HD ARG 18 -6.240 -7.672 -10.390 153 HE ARG 18 HE ARG 18 -5.908 -9.234 -12.043 154 HH11 ARG 18 1HH1 ARG 18 -7.548 -6.461 -13.362 155 HH12 ARG 18 2HH1 ARG 18 -7.367 -6.973 -15.007 156 HH21 ARG 18 1HH2 ARG 18 -5.663 -9.920 -14.204 157 HH22 ARG 18 2HH2 ARG 18 -6.295 -8.941 -15.485 158 H VAL 19 H VAL 19 -9.175 -4.023 -10.270 159 HA VAL 19 HA VAL 19 -11.323 -2.250 -10.125 160 HB VAL 19 HB VAL 19 -9.100 -1.551 -9.484 161 HG11 VAL 19 1HG1 VAL 19 -7.290 -1.963 -10.705 162 HG12 VAL 19 2HG1 VAL 19 -8.325 -2.751 -11.898 163 HG13 VAL 19 3HG1 VAL 19 -7.939 -1.037 -12.058 164 HG21 VAL 19 3HG2 VAL 19 -10.890 0.011 -10.712 165 HG22 VAL 19 1HG2 VAL 19 -9.350 0.616 -10.103 166 HG23 VAL 19 2HG2 VAL 19 -9.529 0.224 -11.813 167 H LYS 20 H LYS 20 -12.531 -1.165 -11.596 168 HA LYS 20 HA LYS 20 -11.940 -1.584 -14.446 169 HB2 LYS 20 2HB LYS 20 -14.464 -1.729 -14.772 170 HB3 LYS 20 3HB LYS 20 -13.677 -3.133 -14.064 171 HG2 LYS 20 2HG LYS 20 -14.775 -1.082 -12.222 172 HG3 LYS 20 3HG LYS 20 -15.909 -2.134 -13.074 173 HD2 LYS 20 2HD LYS 20 -14.270 -4.019 -12.248 174 HD3 LYS 20 3HD LYS 20 -13.847 -2.814 -11.030 175 HE2 LYS 20 2HE LYS 20 -15.576 -4.153 -10.106 176 HE3 LYS 20 3HE LYS 20 -16.302 -2.605 -10.536 177 HZ1 LYS 20 3HZ LYS 20 -17.285 -5.006 -11.239 178 HZ2 LYS 20 1HZ LYS 20 -16.411 -4.589 -12.627 179 HZ3 LYS 20 2HZ LYS 20 -17.621 -3.559 -12.048 180 H GLN 21 H GLN 21 -11.182 0.491 -14.741 181 HA GLN 21 HA GLN 21 -12.862 2.736 -13.948 182 HB2 GLN 21 2HB GLN 21 -10.089 2.544 -15.113 183 HB3 GLN 21 3HB GLN 21 -10.930 4.078 -14.935 184 HG2 GLN 21 2HG GLN 21 -10.588 2.250 -12.595 185 HG3 GLN 21 3HG GLN 21 -9.284 3.322 -13.104 186 HE21 GLN 21 1HE2 GLN 21 -12.172 3.042 -11.370 187 HE22 GLN 21 2HE2 GLN 21 -12.383 4.710 -10.973 188 H PHE 22 H PHE 22 -12.621 4.598 -15.787 189 HA PHE 22 HA PHE 22 -14.285 3.655 -17.922 190 HB2 PHE 22 2HB PHE 22 -14.758 5.829 -17.027 191 HB3 PHE 22 3HB PHE 22 -13.103 6.364 -17.298 192 HD1 PHE 22 HD1 PHE 22 -15.745 4.758 -19.394 193 HD2 PHE 22 HD2 PHE 22 -12.937 7.927 -18.957 194 HE1 PHE 22 HE1 PHE 22 -16.394 5.633 -21.600 195 HE2 PHE 22 HE2 PHE 22 -13.582 8.807 -21.162 196 HZ PHE 22 HZ PHE 22 -15.313 7.661 -22.486 197 H LEU 23 H LEU 23 -10.985 4.920 -17.670 198 HA LEU 23 HA LEU 23 -10.491 4.616 -20.492 199 HB2 LEU 23 2HB LEU 23 -8.599 5.179 -18.214 200 HB3 LEU 23 3HB LEU 23 -8.191 5.267 -19.926 201 HG LEU 23 HG LEU 23 -8.497 7.488 -19.320 202 HD11 LEU 23 1HD1 LEU 23 -9.877 6.710 -21.292 203 HD12 LEU 23 2HD1 LEU 23 -10.363 8.235 -20.551 204 HD13 LEU 23 3HD1 LEU 23 -11.273 6.763 -20.215 205 HD21 LEU 23 3HD2 LEU 23 -11.136 7.337 -18.080 206 HD22 LEU 23 1HD2 LEU 23 -9.690 8.210 -17.572 207 HD23 LEU 23 2HD2 LEU 23 -9.876 6.503 -17.170 208 H GLU 24 H GLU 24 -10.176 2.678 -17.658 209 HA GLU 24 HA GLU 24 -8.179 0.894 -18.627 210 HB2 GLU 24 2HB GLU 24 -10.148 0.851 -16.374 211 HB3 GLU 24 3HB GLU 24 -9.308 -0.630 -16.810 212 HG2 GLU 24 2HG GLU 24 -7.158 0.531 -16.496 213 HG3 GLU 24 3HG GLU 24 -8.038 1.967 -15.975 214 H GLY 25 H GLY 25 -11.369 1.389 -19.525 215 HA2 GLY 25 2HA GLY 25 -11.938 -1.382 -20.200 216 HA3 GLY 25 3HA GLY 25 -12.991 -0.003 -20.476 217 H PHE 26 H PHE 26 -10.221 1.117 -21.618 218 HA PHE 26 HA PHE 26 -10.767 0.123 -24.333 219 HB2 PHE 26 2HB PHE 26 -9.432 2.703 -23.485 220 HB3 PHE 26 3HB PHE 26 -9.787 2.219 -25.140 221 HD1 PHE 26 HD1 PHE 26 -12.075 2.216 -25.973 222 HD2 PHE 26 HD2 PHE 26 -11.152 3.521 -22.028 223 HE1 PHE 26 HE1 PHE 26 -14.290 3.276 -25.809 224 HE2 PHE 26 HE2 PHE 26 -13.365 4.582 -21.857 225 HZ PHE 26 HZ PHE 26 -14.937 4.460 -23.749 226 H ASN 27 H ASN 27 -8.562 0.783 -25.692 227 HA ASN 27 HA ASN 27 -6.633 -1.137 -24.710 228 HB2 ASN 27 2HB ASN 27 -7.163 0.243 -27.287 229 HB3 ASN 27 3HB ASN 27 -5.502 -0.255 -26.979 230 HD21 ASN 27 1HD2 ASN 27 -5.327 -2.561 -26.131 231 HD22 ASN 27 2HD2 ASN 27 -6.289 -3.741 -26.948 232 H ILE 28 H ILE 28 -4.445 -0.725 -24.309 233 HA ILE 28 HA ILE 28 -3.919 1.883 -23.193 234 HB ILE 28 HB ILE 28 -3.163 -0.162 -22.043 235 HG12 ILE 28 2HG1 ILE 28 -0.885 0.617 -21.526 236 HG13 ILE 28 3HG1 ILE 28 -0.903 1.627 -22.967 237 HG21 ILE 28 1HG2 ILE 28 -1.081 -0.455 -24.190 238 HG22 ILE 28 2HG2 ILE 28 -1.474 -1.570 -22.882 239 HG23 ILE 28 3HG2 ILE 28 -2.603 -1.346 -24.218 240 HD11 ILE 28 3HD1 ILE 28 -1.862 3.270 -21.848 241 HD12 ILE 28 1HD1 ILE 28 -3.188 2.217 -21.355 242 HD13 ILE 28 2HD1 ILE 28 -1.721 2.304 -20.379 243 H GLU 29 H GLU 29 -3.114 0.126 -26.079 244 HA GLU 29 HA GLU 29 -0.935 1.860 -26.823 245 HB2 GLU 29 2HB GLU 29 -0.815 0.572 -28.845 246 HB3 GLU 29 3HB GLU 29 -1.068 -0.538 -27.505 247 HG2 GLU 29 2HG GLU 29 -3.381 -0.791 -28.071 248 HG3 GLU 29 3HG GLU 29 -3.261 0.462 -29.304 249 H THR 30 H THR 30 -4.366 1.663 -27.395 250 HA THR 30 HA THR 30 -4.549 3.314 -29.660 251 HB THR 30 HB THR 30 -6.904 3.778 -28.824 252 HG1 THR 30 HG1 THR 30 -6.150 3.285 -26.547 253 HG21 THR 30 3HG2 THR 30 -5.811 1.022 -29.274 254 HG22 THR 30 1HG2 THR 30 -6.742 2.040 -30.371 255 HG23 THR 30 2HG2 THR 30 -7.533 1.274 -28.992 256 H PHE 31 H PHE 31 -3.912 4.036 -26.354 257 HA PHE 31 HA PHE 31 -4.790 6.739 -26.347 258 HB2 PHE 31 2HB PHE 31 -2.716 5.380 -24.613 259 HB3 PHE 31 3HB PHE 31 -3.451 6.947 -24.290 260 HD1 PHE 31 HD1 PHE 31 -6.273 6.232 -25.114 261 HD2 PHE 31 HD2 PHE 31 -3.412 4.215 -22.692 262 HE1 PHE 31 HE1 PHE 31 -8.096 5.123 -23.889 263 HE2 PHE 31 HE2 PHE 31 -5.231 3.102 -21.464 264 HZ PHE 31 HZ PHE 31 -7.577 3.556 -22.062 265 H GLU 32 H GLU 32 -3.189 8.563 -25.926 266 HA GLU 32 HA GLU 32 -0.659 8.311 -27.326 267 HB2 GLU 32 2HB GLU 32 -1.160 10.214 -28.839 268 HB3 GLU 32 3HB GLU 32 -2.132 8.789 -29.176 269 HG2 GLU 32 2HG GLU 32 -3.910 9.903 -27.699 270 HG3 GLU 32 3HG GLU 32 -2.961 11.373 -27.916 271 H MET 33 H MET 33 0.747 9.241 -26.006 272 HA MET 33 HA MET 33 0.179 10.861 -23.847 273 HB2 MET 33 2HB MET 33 2.317 9.757 -24.061 274 HB3 MET 33 3HB MET 33 2.708 10.702 -25.491 275 HG2 MET 33 2HG MET 33 2.848 12.714 -24.189 276 HG3 MET 33 3HG MET 33 2.289 11.865 -22.750 277 HE1 MET 33 3HE MET 33 4.119 12.226 -21.075 278 HE2 MET 33 1HE MET 33 5.838 12.292 -21.466 279 HE3 MET 33 2HE MET 33 4.729 13.473 -22.164 280 H VAL 34 H VAL 34 -0.428 12.909 -23.617 281 HA VAL 34 HA VAL 34 -0.235 14.692 -25.947 282 HB VAL 34 HB VAL 34 -2.507 14.371 -25.161 283 HG11 VAL 34 1HG1 VAL 34 -2.214 13.734 -22.898 284 HG12 VAL 34 2HG1 VAL 34 -1.401 15.249 -22.503 285 HG13 VAL 34 3HG1 VAL 34 -3.125 15.244 -22.877 286 HG21 VAL 34 3HG2 VAL 34 -1.681 16.629 -25.962 287 HG22 VAL 34 1HG2 VAL 34 -3.168 16.635 -25.014 288 HG23 VAL 34 2HG2 VAL 34 -1.643 17.111 -24.266 289 H GLY 35 H GLY 35 0.767 14.266 -22.655 290 HA2 GLY 35 2HA GLY 35 2.871 16.052 -22.745 291 HA3 GLY 35 3HA GLY 35 1.502 16.972 -22.138 292 H THR 36 H THR 36 3.230 17.064 -20.342 293 HA THR 36 HA THR 36 2.419 15.131 -18.317 294 HB THR 36 HB THR 36 5.004 15.201 -17.636 295 HG1 THR 36 HG1 THR 36 5.917 16.216 -19.328 296 HG21 THR 36 3HG2 THR 36 5.078 13.081 -19.340 297 HG22 THR 36 1HG2 THR 36 3.341 13.345 -19.194 298 HG23 THR 36 2HG2 THR 36 4.313 13.058 -17.751 299 H LEU 37 H LEU 37 2.848 15.833 -16.148 300 HA LEU 37 HA LEU 37 3.390 18.722 -15.937 301 HB2 LEU 37 2HB LEU 37 1.002 18.074 -15.596 302 HB3 LEU 37 3HB LEU 37 1.514 17.125 -14.203 303 HG LEU 37 HG LEU 37 0.511 19.419 -13.751 304 HD11 LEU 37 1HD1 LEU 37 3.039 19.653 -12.415 305 HD12 LEU 37 2HD1 LEU 37 2.541 17.963 -12.484 306 HD13 LEU 37 3HD1 LEU 37 1.471 19.169 -11.769 307 HD21 LEU 37 3HD2 LEU 37 2.211 20.306 -15.637 308 HD22 LEU 37 1HD2 LEU 37 3.172 20.611 -14.190 309 HD23 LEU 37 2HD2 LEU 37 1.566 21.323 -14.348 310 H SER 38 H SER 38 4.701 19.415 -14.301 311 HA SER 38 HA SER 38 5.637 17.474 -12.324 312 HB2 SER 38 2HB SER 38 7.900 17.647 -12.853 313 HB3 SER 38 3HB SER 38 7.151 17.615 -14.449 314 HG SER 38 HG SER 38 8.706 19.294 -14.236 315 H ASN 39 H ASN 39 5.515 18.372 -10.386 316 HA ASN 39 HA ASN 39 6.456 21.050 -9.904 317 HB2 ASN 39 2HB ASN 39 4.427 22.021 -9.133 318 HB3 ASN 39 3HB ASN 39 4.056 21.309 -10.701 319 HD21 ASN 39 1HD2 ASN 39 3.593 18.760 -10.265 320 HD22 ASN 39 2HD2 ASN 39 2.300 18.521 -9.144 321 H ALA 40 H ALA 40 5.480 21.544 -7.432 322 HA ALA 40 HA ALA 40 7.025 20.007 -5.741 323 HB1 ALA 40 1HB ALA 40 6.359 22.053 -4.875 324 HB2 ALA 40 2HB ALA 40 4.659 21.777 -5.258 325 HB3 ALA 40 3HB ALA 40 5.417 20.901 -3.927 326 H GLN 41 H GLN 41 3.696 19.513 -6.751 327 HA GLN 41 HA GLN 41 2.996 17.538 -4.875 328 HB2 GLN 41 2HB GLN 41 1.859 18.702 -7.248 329 HB3 GLN 41 3HB GLN 41 1.646 16.957 -7.281 330 HG2 GLN 41 2HG GLN 41 0.684 17.119 -4.978 331 HG3 GLN 41 3HG GLN 41 0.725 18.873 -5.157 332 HE21 GLN 41 1HE2 GLN 41 -0.329 19.655 -7.240 333 HE22 GLN 41 2HE2 GLN 41 -1.844 18.929 -7.643 334 H GLY 42 H GLY 42 4.704 17.382 -7.939 335 HA2 GLY 42 2HA GLY 42 6.338 15.374 -7.739 336 HA3 GLY 42 3HA GLY 42 4.840 14.454 -7.731 337 H THR 43 H THR 43 5.574 13.382 -9.637 338 HA THR 43 HA THR 43 5.456 15.046 -12.066 339 HB THR 43 HB THR 43 6.553 12.276 -12.169 340 HG1 THR 43 HG1 THR 43 8.280 12.761 -11.035 341 HG21 THR 43 3HG2 THR 43 6.262 13.778 -14.168 342 HG22 THR 43 1HG2 THR 43 7.898 13.167 -13.927 343 HG23 THR 43 2HG2 THR 43 7.499 14.824 -13.473 344 H PHE 44 H PHE 44 3.581 14.905 -13.094 345 HA PHE 44 HA PHE 44 2.098 12.363 -12.986 346 HB2 PHE 44 2HB PHE 44 1.002 15.122 -13.564 347 HB3 PHE 44 3HB PHE 44 0.069 13.643 -13.361 348 HD1 PHE 44 HD2 PHE 44 2.208 16.090 -11.612 349 HD2 PHE 44 HD1 PHE 44 -0.546 12.868 -11.222 350 HE1 PHE 44 HE2 PHE 44 2.025 16.544 -9.201 351 HE2 PHE 44 HE1 PHE 44 -0.734 13.318 -8.810 352 HZ PHE 44 HZ PHE 44 0.553 15.156 -7.796 353 H ALA 45 H ALA 45 0.963 11.694 -14.902 354 HA ALA 45 HA ALA 45 2.263 12.645 -17.371 355 HB1 ALA 45 1HB ALA 45 1.741 9.962 -16.329 356 HB2 ALA 45 2HB ALA 45 1.278 10.184 -18.017 357 HB3 ALA 45 3HB ALA 45 2.934 10.513 -17.507 358 H LEU 46 H LEU 46 1.025 13.316 -19.031 359 HA LEU 46 HA LEU 46 -1.896 13.103 -18.707 360 HB2 LEU 46 2HB LEU 46 -0.567 15.190 -20.387 361 HB3 LEU 46 3HB LEU 46 -2.167 15.210 -19.648 362 HG LEU 46 HG LEU 46 0.466 15.550 -18.214 363 HD11 LEU 46 1HD1 LEU 46 -0.472 17.435 -19.683 364 HD12 LEU 46 2HD1 LEU 46 -0.038 17.813 -18.016 365 HD13 LEU 46 3HD1 LEU 46 -1.730 17.574 -18.454 366 HD21 LEU 46 3HD2 LEU 46 -1.245 14.359 -16.880 367 HD22 LEU 46 1HD2 LEU 46 -2.340 15.720 -17.124 368 HD23 LEU 46 2HD2 LEU 46 -0.838 15.947 -16.227 369 H VAL 47 H VAL 47 -2.697 11.610 -20.026 370 HA VAL 47 HA VAL 47 -1.565 11.376 -22.738 371 HB VAL 47 HB VAL 47 -1.352 9.357 -21.235 372 HG11 VAL 47 1HG1 VAL 47 -4.060 8.450 -21.730 373 HG12 VAL 47 2HG1 VAL 47 -3.118 8.432 -20.238 374 HG13 VAL 47 3HG1 VAL 47 -4.019 9.877 -20.696 375 HG21 VAL 47 3HG2 VAL 47 -3.031 8.847 -23.681 376 HG22 VAL 47 1HG2 VAL 47 -1.341 9.344 -23.759 377 HG23 VAL 47 2HG2 VAL 47 -1.776 7.819 -22.989 378 H LYS 48 H LYS 48 -3.069 10.823 -24.452 379 HA LYS 48 HA LYS 48 -5.783 11.848 -23.931 380 HB2 LYS 48 2HB LYS 48 -4.393 13.350 -25.334 381 HB3 LYS 48 3HB LYS 48 -4.200 12.048 -26.500 382 HG2 LYS 48 2HG LYS 48 -6.771 12.042 -26.596 383 HG3 LYS 48 3HG LYS 48 -6.651 13.628 -25.830 384 HD2 LYS 48 2HD LYS 48 -5.528 14.555 -27.657 385 HD3 LYS 48 3HD LYS 48 -5.076 12.973 -28.298 386 HE2 LYS 48 2HE LYS 48 -7.125 12.623 -29.251 387 HE3 LYS 48 3HE LYS 48 -7.969 13.609 -28.059 388 HZ1 LYS 48 3HZ LYS 48 -7.323 15.571 -29.134 389 HZ2 LYS 48 1HZ LYS 48 -7.799 14.537 -30.385 390 HZ3 LYS 48 2HZ LYS 48 -6.156 14.790 -30.077 391 H GLY 49 H GLY 49 -7.520 10.754 -24.781 392 HA2 GLY 49 2HA GLY 49 -7.444 8.799 -26.777 393 HA3 GLY 49 3HA GLY 49 -7.226 7.983 -25.236 394 H ALA 50 H ALA 50 -9.152 6.903 -25.173 395 HA ALA 50 HA ALA 50 -11.651 7.794 -25.918 396 HB1 ALA 50 1HB ALA 50 -11.377 6.092 -23.480 397 HB2 ALA 50 2HB ALA 50 -12.520 5.965 -24.818 398 HB3 ALA 50 3HB ALA 50 -10.840 5.477 -25.044 399 H GLY 51 H GLY 51 -12.709 9.562 -25.312 400 HA2 GLY 51 2HA GLY 51 -14.007 10.667 -23.611 401 HA3 GLY 51 3HA GLY 51 -12.766 10.235 -22.444 402 H GLY 52 H GLY 52 -10.526 11.029 -24.059 403 HA2 GLY 52 2HA GLY 52 -10.157 13.290 -25.252 404 HA3 GLY 52 3HA GLY 52 -10.822 13.941 -23.762 405 H VAL 53 H VAL 53 -9.577 13.985 -21.910 406 HA VAL 53 HA VAL 53 -6.756 13.202 -22.263 407 HB VAL 53 HB VAL 53 -6.301 15.078 -20.575 408 HG11 VAL 53 1HG1 VAL 53 -5.783 15.084 -23.039 409 HG12 VAL 53 2HG1 VAL 53 -7.288 15.975 -23.274 410 HG13 VAL 53 3HG1 VAL 53 -5.991 16.673 -22.303 411 HG21 VAL 53 3HG2 VAL 53 -8.947 15.247 -20.313 412 HG22 VAL 53 1HG2 VAL 53 -7.883 16.634 -20.078 413 HG23 VAL 53 2HG2 VAL 53 -8.732 16.424 -21.609 414 H HIS 54 H HIS 54 -5.780 12.084 -20.650 415 HA HIS 54 HA HIS 54 -7.345 11.585 -18.205 416 HB2 HIS 54 2HB HIS 54 -5.545 9.447 -19.228 417 HB3 HIS 54 3HB HIS 54 -7.056 9.312 -18.335 418 HD1 HIS 54 HD1 HIS 54 -5.943 8.172 -21.317 419 HD2 HIS 54 HD2 HIS 54 -9.122 10.683 -20.393 420 HE1 HIS 54 HE1 HIS 54 -7.523 8.002 -23.266 421 H ARG 55 H ARG 55 -6.294 11.906 -16.347 422 HA ARG 55 HA ARG 55 -3.405 12.423 -16.484 423 HB2 ARG 55 2HB ARG 55 -5.507 13.310 -14.506 424 HB3 ARG 55 3HB ARG 55 -3.784 13.573 -14.272 425 HG2 ARG 55 2HG ARG 55 -3.977 14.670 -16.661 426 HG3 ARG 55 3HG ARG 55 -5.662 14.863 -16.173 427 HD2 ARG 55 2HD ARG 55 -5.106 16.224 -14.363 428 HD3 ARG 55 3HD ARG 55 -3.426 15.689 -14.358 429 HE ARG 55 HE ARG 55 -3.861 16.958 -16.784 430 HH11 ARG 55 1HH1 ARG 55 -3.909 17.769 -13.399 431 HH12 ARG 55 2HH1 ARG 55 -3.453 19.421 -13.654 432 HH21 ARG 55 1HH2 ARG 55 -3.261 19.131 -17.133 433 HH22 ARG 55 2HH2 ARG 55 -3.086 20.195 -15.779 434 H VAL 56 H VAL 56 -2.045 11.010 -15.615 435 HA VAL 56 HA VAL 56 -2.888 9.395 -13.328 436 HB VAL 56 HB VAL 56 -1.921 7.345 -14.348 437 HG11 VAL 56 1HG1 VAL 56 -3.859 6.756 -15.579 438 HG12 VAL 56 2HG1 VAL 56 -4.378 7.916 -14.355 439 HG13 VAL 56 3HG1 VAL 56 -4.168 8.433 -16.028 440 HG21 VAL 56 3HG2 VAL 56 -1.742 9.134 -16.755 441 HG22 VAL 56 1HG2 VAL 56 -0.480 8.144 -16.022 442 HG23 VAL 56 2HG2 VAL 56 -1.806 7.377 -16.895 443 H ARG 57 H ARG 57 -1.226 8.773 -11.973 444 HA ARG 57 HA ARG 57 1.437 9.839 -12.652 445 HB2 ARG 57 2HB ARG 57 1.779 10.342 -10.314 446 HB3 ARG 57 3HB ARG 57 0.281 11.091 -10.849 447 HG2 ARG 57 2HG ARG 57 -0.908 9.067 -9.892 448 HG3 ARG 57 3HG ARG 57 0.629 8.660 -9.126 449 HD2 ARG 57 2HD ARG 57 0.590 11.033 -8.186 450 HD3 ARG 57 3HD ARG 57 -1.100 11.076 -8.686 451 HE ARG 57 HE ARG 57 -1.624 9.668 -6.950 452 HH11 ARG 57 1HH1 ARG 57 1.830 9.757 -7.379 453 HH12 ARG 57 2HH1 ARG 57 2.165 8.893 -5.916 454 HH21 ARG 57 1HH2 ARG 57 -1.195 8.529 -5.020 455 HH22 ARG 57 2HH2 ARG 57 0.444 8.194 -4.575 456 H VAL 58 H VAL 58 3.114 8.798 -11.006 457 HA VAL 58 HA VAL 58 3.550 6.189 -11.777 458 HB VAL 58 HB VAL 58 5.328 7.506 -10.810 459 HG11 VAL 58 1HG1 VAL 58 3.986 7.225 -8.129 460 HG12 VAL 58 2HG1 VAL 58 5.422 8.169 -8.529 461 HG13 VAL 58 3HG1 VAL 58 3.843 8.661 -9.141 462 HG21 VAL 58 3HG2 VAL 58 5.167 5.412 -8.742 463 HG22 VAL 58 1HG2 VAL 58 4.979 4.863 -10.408 464 HG23 VAL 58 2HG2 VAL 58 6.430 5.744 -9.928 465 H GLY 59 H GLY 59 2.560 4.338 -11.335 466 HA2 GLY 59 2HA GLY 59 1.901 2.703 -9.670 467 HA3 GLY 59 3HA GLY 59 1.280 4.027 -8.695 468 H ASP 60 H ASP 60 -0.031 5.372 -10.897 469 HA ASP 60 HA ASP 60 -2.558 4.190 -10.748 470 HB2 ASP 60 2HB ASP 60 -1.373 6.262 -12.580 471 HB3 ASP 60 3HB ASP 60 -3.035 5.714 -12.780 472 H TYR 61 H TYR 61 -3.855 3.636 -12.806 473 HA TYR 61 HA TYR 61 -2.254 1.851 -14.516 474 HB2 TYR 61 2HB TYR 61 -4.986 1.289 -13.343 475 HB3 TYR 61 3HB TYR 61 -4.148 0.258 -14.498 476 HD1 TYR 61 HD1 TYR 61 -4.133 1.518 -11.035 477 HD2 TYR 61 HD2 TYR 61 -2.377 -1.196 -13.802 478 HE1 TYR 61 HE1 TYR 61 -3.025 0.350 -9.177 479 HE2 TYR 61 HE2 TYR 61 -1.264 -2.372 -11.951 480 HH TYR 61 HH TYR 61 -1.870 -2.593 -9.282 481 H LEU 62 H LEU 62 -3.075 1.480 -16.634 482 HA LEU 62 HA LEU 62 -5.317 3.061 -17.563 483 HB2 LEU 62 2HB LEU 62 -2.905 4.290 -17.586 484 HB3 LEU 62 3HB LEU 62 -2.891 3.512 -19.168 485 HG LEU 62 HG LEU 62 -5.198 4.650 -19.480 486 HD11 LEU 62 1HD1 LEU 62 -5.893 6.190 -18.019 487 HD12 LEU 62 2HD1 LEU 62 -4.274 6.855 -17.806 488 HD13 LEU 62 3HD1 LEU 62 -4.769 5.430 -16.892 489 HD21 LEU 62 3HD2 LEU 62 -2.823 5.196 -20.452 490 HD22 LEU 62 1HD2 LEU 62 -2.960 6.616 -19.414 491 HD23 LEU 62 2HD2 LEU 62 -4.166 6.320 -20.666 492 H GLY 63 H GLY 63 -6.259 2.221 -19.369 493 HA2 GLY 63 2HA GLY 63 -6.436 0.928 -21.309 494 HA3 GLY 63 3HA GLY 63 -4.809 0.326 -21.029 495 H ARG 64 H ARG 64 -6.661 -1.450 -21.831 496 HA ARG 64 HA ARG 64 -7.949 -2.729 -19.599 497 HB2 ARG 64 2HB ARG 64 -7.675 -3.313 -22.522 498 HB3 ARG 64 3HB ARG 64 -8.211 -4.588 -21.436 499 HG2 ARG 64 2HG ARG 64 -10.109 -3.290 -20.753 500 HG3 ARG 64 3HG ARG 64 -9.533 -1.895 -21.668 501 HD2 ARG 64 2HD ARG 64 -10.334 -2.691 -23.605 502 HD3 ARG 64 3HD ARG 64 -9.785 -4.331 -23.263 503 HE ARG 64 HE ARG 64 -11.972 -3.818 -21.620 504 HH11 ARG 64 1HH1 ARG 64 -11.267 -4.118 -25.016 505 HH12 ARG 64 2HH1 ARG 64 -12.849 -4.691 -25.428 506 HH21 ARG 64 1HH2 ARG 64 -14.059 -4.572 -22.149 507 HH22 ARG 64 2HH2 ARG 64 -14.437 -4.948 -23.796 508 H ASN 65 H ASN 65 -4.817 -2.704 -20.830 509 HA ASN 65 HA ASN 65 -4.194 -5.413 -19.937 510 HB2 ASN 65 2HB ASN 65 -2.388 -3.334 -21.193 511 HB3 ASN 65 3HB ASN 65 -1.984 -5.024 -20.904 512 HD21 ASN 65 1HD2 ASN 65 -3.767 -6.540 -21.850 513 HD22 ASN 65 2HD2 ASN 65 -4.191 -6.205 -23.491 514 H ASP 66 H ASP 66 -4.926 -3.109 -18.139 515 HA ASP 66 HA ASP 66 -4.279 -2.181 -16.159 516 HB2 ASP 66 2HB ASP 66 -2.962 -4.872 -16.176 517 HB3 ASP 66 3HB ASP 66 -2.648 -3.761 -14.845 518 H GLY 67 H GLY 67 -2.986 -0.956 -18.171 519 HA2 GLY 67 2HA GLY 67 -0.182 -1.001 -18.127 520 HA3 GLY 67 3HA GLY 67 -1.167 0.358 -18.648 521 H LYS 68 H LYS 68 0.631 -1.053 -16.034 522 HA LYS 68 HA LYS 68 -0.064 0.985 -14.123 523 HB2 LYS 68 2HB LYS 68 0.485 -1.098 -13.167 524 HB3 LYS 68 3HB LYS 68 1.928 -1.270 -14.159 525 HG2 LYS 68 2HG LYS 68 3.106 0.340 -12.892 526 HG3 LYS 68 3HG LYS 68 1.637 0.867 -12.067 527 HD2 LYS 68 2HD LYS 68 2.874 -1.875 -11.821 528 HD3 LYS 68 3HD LYS 68 3.074 -0.566 -10.654 529 HE2 LYS 68 2HE LYS 68 0.459 -0.563 -10.662 530 HE3 LYS 68 3HE LYS 68 0.656 -2.200 -11.285 531 HZ1 LYS 68 3HZ LYS 68 1.599 -1.119 -8.693 532 HZ2 LYS 68 1HZ LYS 68 2.143 -2.595 -9.318 533 HZ3 LYS 68 2HZ LYS 68 0.504 -2.382 -8.957 534 H VAL 69 H VAL 69 1.016 2.820 -13.639 535 HA VAL 69 HA VAL 69 2.982 3.763 -15.519 536 HB VAL 69 HB VAL 69 1.932 5.102 -13.023 537 HG11 VAL 69 1HG1 VAL 69 4.045 6.048 -13.741 538 HG12 VAL 69 2HG1 VAL 69 3.438 6.211 -15.390 539 HG13 VAL 69 3HG1 VAL 69 2.731 7.172 -14.090 540 HG21 VAL 69 3HG2 VAL 69 0.017 5.235 -14.168 541 HG22 VAL 69 1HG2 VAL 69 0.856 6.390 -15.204 542 HG23 VAL 69 2HG2 VAL 69 0.776 4.689 -15.664 543 H VAL 70 H VAL 70 5.096 3.473 -15.336 544 HA VAL 70 HA VAL 70 6.236 3.067 -12.647 545 HB VAL 70 HB VAL 70 7.924 1.640 -13.589 546 HG11 VAL 70 1HG1 VAL 70 6.486 -0.193 -14.541 547 HG12 VAL 70 2HG1 VAL 70 5.950 0.462 -12.992 548 HG13 VAL 70 3HG1 VAL 70 5.136 0.940 -14.483 549 HG21 VAL 70 3HG2 VAL 70 6.658 2.215 -16.267 550 HG22 VAL 70 1HG2 VAL 70 8.242 2.765 -15.719 551 HG23 VAL 70 2HG2 VAL 70 7.945 1.045 -15.975 552 H GLY 71 H GLY 71 6.512 4.683 -15.728 553 HA2 GLY 71 2HA GLY 71 8.544 6.448 -14.548 554 HA3 GLY 71 3HA GLY 71 8.859 5.723 -16.117 555 H ILE 72 H ILE 72 8.421 8.562 -15.140 556 HA ILE 72 HA ILE 72 6.549 9.297 -17.274 557 HB ILE 72 HB ILE 72 6.503 10.475 -14.493 558 HG12 ILE 72 2HG1 ILE 72 4.246 9.108 -15.950 559 HG13 ILE 72 3HG1 ILE 72 5.377 8.212 -14.941 560 HG21 ILE 72 1HG2 ILE 72 6.116 12.270 -15.958 561 HG22 ILE 72 2HG2 ILE 72 5.135 11.284 -17.041 562 HG23 ILE 72 3HG2 ILE 72 4.513 11.737 -15.454 563 HD11 ILE 72 3HD1 ILE 72 3.954 8.623 -13.287 564 HD12 ILE 72 1HD1 ILE 72 4.601 10.263 -13.301 565 HD13 ILE 72 2HD1 ILE 72 3.127 9.889 -14.194 566 H SER 73 H SER 73 7.866 10.289 -18.670 567 HA SER 73 HA SER 73 9.844 12.199 -17.626 568 HB2 SER 73 2HB SER 73 9.812 11.189 -20.457 569 HB3 SER 73 3HB SER 73 11.170 11.803 -19.515 570 HG SER 73 HG SER 73 10.938 9.891 -18.199 571 H GLU 74 H GLU 74 10.314 13.731 -19.826 572 HA GLU 74 HA GLU 74 7.859 15.306 -19.961 573 HB2 GLU 74 2HB GLU 74 9.244 17.134 -20.686 574 HB3 GLU 74 3HB GLU 74 10.005 16.379 -19.293 575 HG2 GLU 74 2HG GLU 74 11.441 15.098 -20.915 576 HG3 GLU 74 3HG GLU 74 10.800 16.147 -22.179 577 H GLY 75 H GLY 75 9.465 13.015 -21.794 578 HA2 GLY 75 2HA GLY 75 7.920 13.793 -24.166 579 HA3 GLY 75 3HA GLY 75 9.641 13.489 -24.347 580 H LYS 76 H LYS 76 8.213 11.555 -21.967 581 HA LYS 76 HA LYS 76 7.181 9.470 -23.596 582 HB2 LYS 76 2HB LYS 76 8.960 7.811 -23.230 583 HB3 LYS 76 3HB LYS 76 9.523 9.167 -24.197 584 HG2 LYS 76 2HG LYS 76 9.951 9.375 -21.286 585 HG3 LYS 76 3HG LYS 76 10.894 8.150 -22.137 586 HD2 LYS 76 2HD LYS 76 10.733 10.917 -23.250 587 HD3 LYS 76 3HD LYS 76 11.809 10.589 -21.890 588 HE2 LYS 76 2HE LYS 76 11.823 9.112 -24.520 589 HE3 LYS 76 3HE LYS 76 12.944 10.397 -24.070 590 HZ1 LYS 76 3HZ LYS 76 13.210 7.693 -23.568 591 HZ2 LYS 76 1HZ LYS 76 12.881 8.400 -22.066 592 HZ3 LYS 76 2HZ LYS 76 14.192 8.942 -22.987 593 H ILE 77 H ILE 77 6.258 7.808 -22.386 594 HA ILE 77 HA ILE 77 6.471 8.079 -19.461 595 HB ILE 77 HB ILE 77 3.934 7.587 -21.025 596 HG12 ILE 77 2HG1 ILE 77 4.454 9.899 -19.179 597 HG13 ILE 77 3HG1 ILE 77 4.981 9.964 -20.857 598 HG21 ILE 77 1HG2 ILE 77 3.439 8.172 -18.300 599 HG22 ILE 77 2HG2 ILE 77 3.092 6.686 -19.183 600 HG23 ILE 77 3HG2 ILE 77 4.641 6.883 -18.363 601 HD11 ILE 77 3HD1 ILE 77 2.733 10.994 -20.293 602 HD12 ILE 77 1HD1 ILE 77 2.788 9.883 -21.661 603 HD13 ILE 77 2HD1 ILE 77 2.148 9.341 -20.110 604 H ASP 78 H ASP 78 7.317 6.280 -18.666 605 HA ASP 78 HA ASP 78 7.104 3.770 -20.098 606 HB2 ASP 78 2HB ASP 78 8.402 4.213 -17.410 607 HB3 ASP 78 3HB ASP 78 8.725 2.928 -18.571 608 H VAL 79 H VAL 79 5.722 2.173 -19.666 609 HA VAL 79 HA VAL 79 4.484 1.968 -17.036 610 HB VAL 79 HB VAL 79 2.228 1.932 -17.834 611 HG11 VAL 79 1HG1 VAL 79 3.454 4.327 -19.172 612 HG12 VAL 79 2HG1 VAL 79 1.901 4.205 -18.342 613 HG13 VAL 79 3HG1 VAL 79 3.404 4.151 -17.418 614 HG21 VAL 79 3HG2 VAL 79 3.432 2.223 -20.581 615 HG22 VAL 79 1HG2 VAL 79 2.477 0.877 -19.960 616 HG23 VAL 79 2HG2 VAL 79 1.717 2.445 -20.232 617 H ILE 80 H ILE 80 3.589 -0.082 -16.594 618 HA ILE 80 HA ILE 80 4.683 -2.201 -18.280 619 HB ILE 80 HB ILE 80 3.755 -2.069 -15.441 620 HG12 ILE 80 2HG1 ILE 80 6.155 -1.730 -16.196 621 HG13 ILE 80 3HG1 ILE 80 5.908 -2.963 -14.964 622 HG21 ILE 80 1HG2 ILE 80 3.843 -4.529 -17.161 623 HG22 ILE 80 2HG2 ILE 80 4.034 -4.602 -15.410 624 HG23 ILE 80 3HG2 ILE 80 2.544 -3.967 -16.109 625 HD11 ILE 80 3HD1 ILE 80 7.500 -3.647 -16.698 626 HD12 ILE 80 1HD1 ILE 80 6.090 -4.703 -16.622 627 HD13 ILE 80 2HD1 ILE 80 6.224 -3.502 -17.906 628 H GLU 81 H GLU 81 3.426 -3.082 -19.773 629 HA GLU 81 HA GLU 81 0.526 -3.223 -19.273 630 HB2 GLU 81 2HB GLU 81 2.094 -2.908 -21.823 631 HB3 GLU 81 3HB GLU 81 0.425 -3.460 -21.830 632 HG2 GLU 81 2HG GLU 81 -0.394 -1.430 -21.112 633 HG3 GLU 81 3HG GLU 81 1.145 -0.942 -20.404 634 H ILE 82 H ILE 82 -0.414 -5.164 -19.185 635 HA ILE 82 HA ILE 82 1.231 -7.527 -19.433 636 HB ILE 82 HB ILE 82 -1.644 -7.136 -18.614 637 HG12 ILE 82 2HG1 ILE 82 -0.609 -8.125 -16.451 638 HG13 ILE 82 3HG1 ILE 82 0.937 -7.696 -17.176 639 HG21 ILE 82 1HG2 ILE 82 -1.673 -9.252 -19.622 640 HG22 ILE 82 2HG2 ILE 82 -0.072 -9.661 -19.008 641 HG23 ILE 82 3HG2 ILE 82 -1.444 -9.580 -17.904 642 HD11 ILE 82 3HD1 ILE 82 -1.274 -5.702 -16.828 643 HD12 ILE 82 1HD1 ILE 82 -0.084 -6.031 -15.570 644 HD13 ILE 82 2HD1 ILE 82 0.437 -5.406 -17.135 645 H VAL 83 H VAL 83 1.166 -9.033 -21.009 646 HA VAL 83 HA VAL 83 -0.957 -8.922 -23.019 647 HB VAL 83 HB VAL 83 0.834 -9.200 -24.816 648 HG11 VAL 83 1HG1 VAL 83 -0.545 -7.065 -24.039 649 HG12 VAL 83 2HG1 VAL 83 1.078 -6.468 -23.688 650 HG13 VAL 83 3HG1 VAL 83 0.662 -6.989 -25.322 651 HG21 VAL 83 3HG2 VAL 83 2.750 -7.606 -23.325 652 HG22 VAL 83 1HG2 VAL 83 2.533 -9.216 -22.639 653 HG23 VAL 83 2HG2 VAL 83 3.006 -9.034 -24.328 654 HA PRO 84 HA PRO 84 -0.706 -13.304 -22.920 655 HB2 PRO 84 2HB PRO 84 -1.408 -13.937 -25.465 656 HB3 PRO 84 3HB PRO 84 -2.562 -13.324 -24.274 657 HG2 PRO 84 2HG PRO 84 -1.141 -11.858 -26.464 658 HG3 PRO 84 3HG PRO 84 -2.836 -11.742 -25.956 659 HD2 PRO 84 2HD PRO 84 -0.968 -9.924 -25.223 660 HD3 PRO 84 3HD PRO 84 -2.341 -10.355 -24.183 661 H ASP 85 H ASP 85 0.643 -15.018 -23.389 662 HA ASP 85 HA ASP 85 3.075 -14.331 -24.866 663 HB2 ASP 85 2HB ASP 85 3.532 -15.118 -22.661 664 HB3 ASP 85 3HB ASP 85 2.447 -16.491 -22.854 665 H GLY 86 H GLY 86 0.308 -16.415 -24.981 666 HA2 GLY 86 2HA GLY 86 -0.115 -17.117 -27.381 667 HA3 GLY 86 3HA GLY 86 1.482 -17.844 -27.281 668 H GLU 87 H GLU 87 1.213 -18.811 -24.590 669 HA GLU 87 HA GLU 87 -0.482 -21.125 -25.154 670 HB2 GLU 87 2HB GLU 87 1.417 -20.847 -22.835 671 HB3 GLU 87 3HB GLU 87 0.798 -22.321 -23.566 672 HG2 GLU 87 2HG GLU 87 2.057 -21.363 -25.685 673 HG3 GLU 87 3HG GLU 87 3.002 -20.545 -24.443 674 H GLY 88 H GLY 88 -1.412 -18.417 -24.176 675 HA2 GLY 88 2HA GLY 88 -3.359 -17.935 -22.964 676 HA3 GLY 88 3HA GLY 88 -3.186 -19.467 -22.119 677 H ASN 89 H ASN 89 -0.219 -18.460 -21.808 678 HA ASN 89 HA ASN 89 -0.688 -17.330 -19.182 679 HB2 ASN 89 2HB ASN 89 1.555 -17.817 -18.710 680 HB3 ASN 89 3HB ASN 89 1.081 -19.112 -19.805 681 HD21 ASN 89 1HD2 ASN 89 2.209 -19.408 -21.611 682 HD22 ASN 89 2HD2 ASN 89 3.443 -18.351 -22.199 683 H TRP 90 H TRP 90 -0.384 -15.263 -18.583 684 HA TRP 90 HA TRP 90 0.323 -13.352 -20.688 685 HB2 TRP 90 2HB TRP 90 -0.915 -12.791 -17.987 686 HB3 TRP 90 3HB TRP 90 -0.776 -11.673 -19.341 687 HD1 TRP 90 HD1 TRP 90 -2.611 -14.957 -18.426 688 HE1 TRP 90 HE1 TRP 90 -4.818 -15.029 -19.747 689 HE3 TRP 90 HE3 TRP 90 -2.010 -10.731 -21.240 690 HZ2 TRP 90 HZ2 TRP 90 -6.131 -13.497 -21.722 691 HZ3 TRP 90 HZ3 TRP 90 -3.788 -10.105 -22.821 692 HH2 TRP 90 HH2 TRP 90 -5.805 -11.461 -23.056 693 H LEU 91 H LEU 91 1.697 -11.526 -20.166 694 HA LEU 91 HA LEU 91 3.428 -11.800 -17.844 695 HB2 LEU 91 2HB LEU 91 4.195 -12.903 -20.257 696 HB3 LEU 91 3HB LEU 91 4.997 -11.334 -20.248 697 HG LEU 91 HG LEU 91 6.091 -11.901 -18.136 698 HD11 LEU 91 1HD1 LEU 91 5.938 -14.455 -17.583 699 HD12 LEU 91 2HD1 LEU 91 4.359 -14.315 -18.356 700 HD13 LEU 91 3HD1 LEU 91 4.742 -13.324 -16.948 701 HD21 LEU 91 3HD2 LEU 91 6.392 -13.762 -20.467 702 HD22 LEU 91 1HD2 LEU 91 7.423 -13.901 -19.043 703 HD23 LEU 91 2HD2 LEU 91 7.417 -12.410 -19.984 704 H GLU 92 H GLU 92 4.832 -9.926 -17.535 705 HA GLU 92 HA GLU 92 3.448 -7.497 -18.152 706 HB2 GLU 92 2HB GLU 92 6.180 -7.753 -16.897 707 HB3 GLU 92 3HB GLU 92 5.054 -6.411 -16.751 708 HG2 GLU 92 2HG GLU 92 4.642 -7.401 -14.767 709 HG3 GLU 92 3HG GLU 92 3.511 -8.329 -15.751 710 H ARG 93 H ARG 93 4.144 -5.767 -19.404 711 HA ARG 93 HA ARG 93 6.482 -6.210 -21.120 712 HB2 ARG 93 2HB ARG 93 4.221 -6.850 -22.204 713 HB3 ARG 93 3HB ARG 93 3.926 -5.118 -22.263 714 HG2 ARG 93 2HG ARG 93 5.415 -4.782 -23.923 715 HG3 ARG 93 3HG ARG 93 6.517 -6.029 -23.334 716 HD2 ARG 93 2HD ARG 93 5.089 -7.762 -24.233 717 HD3 ARG 93 3HD ARG 93 3.897 -6.562 -24.727 718 HE ARG 93 HE ARG 93 6.338 -7.247 -26.086 719 HH11 ARG 93 1HH1 ARG 93 3.905 -4.803 -25.613 720 HH12 ARG 93 2HH1 ARG 93 4.200 -4.029 -27.135 721 HH21 ARG 93 1HH2 ARG 93 6.736 -6.238 -28.092 722 HH22 ARG 93 2HH2 ARG 93 5.809 -4.847 -28.545 723 HA PRO 94 HA PRO 94 6.711 -1.999 -19.367 724 HB2 PRO 94 2HB PRO 94 9.424 -1.911 -19.409 725 HB3 PRO 94 3HB PRO 94 8.508 -2.671 -18.102 726 HG2 PRO 94 2HG PRO 94 9.858 -3.938 -20.455 727 HG3 PRO 94 3HG PRO 94 9.836 -4.462 -18.762 728 HD2 PRO 94 2HD PRO 94 8.248 -5.575 -20.652 729 HD3 PRO 94 3HD PRO 94 7.750 -5.423 -18.954 730 H ARG 95 H ARG 95 6.040 -0.679 -20.983 731 HA ARG 95 HA ARG 95 7.938 -0.189 -23.179 732 HB2 ARG 95 2HB ARG 95 6.209 -0.018 -24.765 733 HB3 ARG 95 3HB ARG 95 5.816 -1.455 -23.831 734 HG2 ARG 95 2HG ARG 95 4.196 -0.169 -22.530 735 HG3 ARG 95 3HG ARG 95 4.589 1.270 -23.472 736 HD2 ARG 95 2HD ARG 95 3.395 -1.294 -24.519 737 HD3 ARG 95 3HD ARG 95 2.557 0.243 -24.311 738 HE ARG 95 HE ARG 95 3.650 1.077 -26.192 739 HH11 ARG 95 1HH1 ARG 95 4.724 -2.142 -25.417 740 HH12 ARG 95 2HH1 ARG 95 5.497 -2.393 -26.947 741 HH21 ARG 95 1HH2 ARG 95 4.665 0.759 -28.210 742 HH22 ARG 95 2HH2 ARG 95 5.464 -0.742 -28.535 743 H SER 96 H SER 96 8.025 1.955 -23.974 744 HA SER 96 HA SER 96 6.965 3.949 -22.082 745 HB2 SER 96 2HB SER 96 9.118 4.954 -23.726 746 HB3 SER 96 3HB SER 96 9.013 4.855 -21.969 747 HG SER 96 HG SER 96 9.912 2.864 -23.774 748 H LEU 97 H LEU 97 5.474 5.286 -22.841 749 HA LEU 97 HA LEU 97 4.981 5.409 -25.706 750 HB2 LEU 97 2HB LEU 97 3.382 6.872 -23.647 751 HB3 LEU 97 3HB LEU 97 2.867 6.228 -25.204 752 HG LEU 97 HG LEU 97 3.407 4.673 -22.678 753 HD11 LEU 97 1HD1 LEU 97 1.191 4.600 -22.367 754 HD12 LEU 97 2HD1 LEU 97 0.853 4.422 -24.089 755 HD13 LEU 97 3HD1 LEU 97 1.162 6.021 -23.413 756 HD21 LEU 97 3HD2 LEU 97 2.553 2.742 -24.089 757 HD22 LEU 97 1HD2 LEU 97 4.200 3.287 -24.408 758 HD23 LEU 97 2HD2 LEU 97 2.891 3.755 -25.494 759 H THR 98 H THR 98 6.251 6.807 -26.757 760 HA THR 98 HA THR 98 7.243 9.216 -25.573 761 HB THR 98 HB THR 98 8.151 9.707 -27.820 762 HG1 THR 98 HG1 THR 98 6.675 8.851 -29.217 763 HG21 THR 98 3HG2 THR 98 8.676 7.296 -26.269 764 HG22 THR 98 1HG2 THR 98 9.803 8.469 -26.947 765 HG23 THR 98 2HG2 THR 98 9.188 7.155 -27.950 766 H LEU 99 H LEU 99 6.686 11.339 -26.018 767 HA LEU 99 HA LEU 99 4.017 11.981 -26.298 768 HB2 LEU 99 2HB LEU 99 6.187 13.376 -25.650 769 HB3 LEU 99 3HB LEU 99 6.009 13.932 -27.314 770 HG LEU 99 HG LEU 99 3.471 14.222 -26.252 771 HD11 LEU 99 1HD1 LEU 99 4.956 15.715 -24.263 772 HD12 LEU 99 2HD1 LEU 99 5.140 13.974 -24.060 773 HD13 LEU 99 3HD1 LEU 99 3.530 14.694 -24.079 774 HD21 LEU 99 3HD2 LEU 99 5.663 16.287 -26.432 775 HD22 LEU 99 1HD2 LEU 99 3.926 16.595 -26.423 776 HD23 LEU 99 2HD2 LEU 99 4.662 15.740 -27.779 777 H LYS 100 H LYS 100 2.683 12.564 -27.961 778 HA LYS 100 HA LYS 100 2.974 11.403 -30.447 779 HB2 LYS 100 2HB LYS 100 1.202 13.452 -29.275 780 HB3 LYS 100 3HB LYS 100 1.316 13.477 -31.030 781 HG2 LYS 100 2HG LYS 100 0.688 10.987 -29.470 782 HG3 LYS 100 3HG LYS 100 -0.551 12.098 -30.059 783 HD2 LYS 100 2HD LYS 100 1.497 11.074 -31.970 784 HD3 LYS 100 3HD LYS 100 0.180 10.006 -31.477 785 HE2 LYS 100 2HE LYS 100 -1.459 11.472 -32.337 786 HE3 LYS 100 3HE LYS 100 -0.301 12.791 -32.504 787 HZ1 LYS 100 3HZ LYS 100 0.840 11.467 -34.215 788 HZ2 LYS 100 1HZ LYS 100 -0.753 11.841 -34.644 789 HZ3 LYS 100 2HZ LYS 100 -0.366 10.287 -34.099 790 H GLU 101 H GLU 101 3.570 12.130 -32.488 791 HA GLU 101 HA GLU 101 4.853 14.755 -32.675 792 HB2 GLU 101 2HB GLU 101 6.157 12.099 -33.195 793 HB3 GLU 101 3HB GLU 101 6.700 13.546 -34.033 794 HG2 GLU 101 2HG GLU 101 6.520 13.380 -31.041 795 HG3 GLU 101 3HG GLU 101 7.959 12.903 -31.941 796 H ARG 102 H ARG 102 5.547 15.139 -35.049 797 HA ARG 102 HA ARG 102 3.488 14.030 -36.840 798 HB2 ARG 102 2HB ARG 102 3.565 16.305 -37.981 799 HB3 ARG 102 3HB ARG 102 2.770 16.237 -36.414 800 HG2 ARG 102 2HG ARG 102 5.654 16.936 -36.488 801 HG3 ARG 102 3HG ARG 102 4.483 18.143 -37.023 802 HD2 ARG 102 2HD ARG 102 3.280 17.426 -34.774 803 HD3 ARG 102 3HD ARG 102 4.924 16.976 -34.325 804 HE ARG 102 HE ARG 102 5.059 19.539 -35.360 805 HH11 ARG 102 1HH1 ARG 102 3.530 17.924 -32.681 806 HH12 ARG 102 2HH1 ARG 102 3.549 19.323 -31.659 807 HH21 ARG 102 1HH2 ARG 102 5.089 21.387 -34.023 808 HH22 ARG 102 2HH2 ARG 102 4.435 21.292 -32.423 809 H SER 103 H SER 103 4.895 12.531 -37.751 810 HA SER 103 HA SER 103 7.191 13.644 -39.221 811 HB2 SER 103 2HB SER 103 6.748 10.730 -38.558 812 HB3 SER 103 3HB SER 103 8.236 11.501 -39.108 813 HG SER 103 HG SER 103 8.454 11.284 -36.936 814 H LEU 104 H LEU 104 7.585 12.908 -41.366 815 HA LEU 104 HA LEU 104 5.232 12.706 -42.946 816 HB2 LEU 104 2HB LEU 104 7.084 13.844 -43.876 817 HB3 LEU 104 3HB LEU 104 8.163 12.483 -43.574 818 HG LEU 104 HG LEU 104 6.885 11.192 -45.294 819 HD11 LEU 104 1HD1 LEU 104 5.776 13.775 -46.283 820 HD12 LEU 104 2HD1 LEU 104 4.902 12.882 -45.039 821 HD13 LEU 104 3HD1 LEU 104 5.242 12.123 -46.594 822 HD21 LEU 104 3HD2 LEU 104 8.546 11.807 -46.627 823 HD22 LEU 104 1HD2 LEU 104 8.827 13.221 -45.612 824 HD23 LEU 104 2HD2 LEU 104 7.724 13.327 -46.984 825 H GLU 105 H GLU 105 4.045 10.929 -43.126 826 HA GLU 105 HA GLU 105 5.429 8.347 -43.416 827 HB2 GLU 105 2HB GLU 105 2.940 8.951 -41.819 828 HB3 GLU 105 3HB GLU 105 3.435 7.322 -42.254 829 HG2 GLU 105 2HG GLU 105 5.460 7.535 -40.987 830 HG3 GLU 105 3HG GLU 105 5.125 9.235 -40.663 831 H HIS 106 H HIS 106 4.087 6.683 -44.506 832 HA HIS 106 HA HIS 106 2.324 7.917 -46.520 833 HB2 HIS 106 2HB HIS 106 4.101 5.495 -46.877 834 HB3 HIS 106 3HB HIS 106 3.095 6.241 -48.115 835 HD1 HIS 106 HD1 HIS 106 4.141 8.063 -49.465 836 HD2 HIS 106 HD2 HIS 106 6.308 7.199 -46.027 837 HE1 HIS 106 HE1 HIS 106 6.262 9.401 -49.653 838 H HIS 107 H HIS 107 0.956 7.285 -44.412 839 HA HIS 107 HA HIS 107 0.008 4.525 -44.642 840 HB2 HIS 107 2HB HIS 107 -1.281 5.070 -42.565 841 HB3 HIS 107 3HB HIS 107 0.465 5.217 -42.383 842 HD1 HIS 107 HD1 HIS 107 -2.560 7.436 -42.967 843 HD2 HIS 107 HD2 HIS 107 1.287 7.618 -41.408 844 HE1 HIS 107 HE1 HIS 107 -2.349 9.732 -41.962 845 H HIS 108 H HIS 108 -0.571 6.337 -46.761 846 HA HIS 108 HA HIS 108 -3.346 7.128 -46.428 847 HB2 HIS 108 2HB HIS 108 -1.346 7.424 -48.661 848 HB3 HIS 108 3HB HIS 108 -3.049 7.812 -48.888 849 HD1 HIS 108 HD1 HIS 108 -1.085 10.056 -49.229 850 HD2 HIS 108 HD2 HIS 108 -2.784 9.102 -45.560 851 HE1 HIS 108 HE1 HIS 108 -0.917 12.150 -47.846 852 H HIS 109 H HIS 109 -4.353 5.107 -46.148 853 HA HIS 109 HA HIS 109 -5.434 3.212 -46.795 854 HB2 HIS 109 2HB HIS 109 -5.106 4.322 -49.589 855 HB3 HIS 109 3HB HIS 109 -6.304 3.146 -49.056 856 HD1 HIS 109 HD1 HIS 109 -6.977 4.820 -46.384 857 HD2 HIS 109 HD2 HIS 109 -7.038 6.202 -50.302 858 HE1 HIS 109 HE1 HIS 109 -8.529 6.799 -46.375 859 H HIS 110 H HIS 110 -2.743 2.858 -46.360 860 HA HIS 110 HA HIS 110 -1.879 1.071 -48.531 861 HB2 HIS 110 2HB HIS 110 -0.404 3.018 -47.617 862 HB3 HIS 110 3HB HIS 110 -0.101 1.926 -46.269 863 HD1 HIS 110 HD1 HIS 110 0.046 1.696 -50.073 864 HD2 HIS 110 HD2 HIS 110 2.097 0.425 -46.691 865 HE1 HIS 110 HE1 HIS 110 2.040 0.429 -50.933 866 H HIS 111 H HIS 111 -1.593 -1.066 -48.183 867 HA HIS 111 HA HIS 111 -2.056 -2.061 -45.447 868 HB2 HIS 111 2HB HIS 111 -3.214 -3.979 -46.382 869 HB3 HIS 111 3HB HIS 111 -3.970 -2.498 -46.962 870 HD1 HIS 111 HD1 HIS 111 -2.266 -5.558 -48.109 871 HD2 HIS 111 HD2 HIS 111 -3.448 -1.915 -49.720 872 HE1 HIS 111 HE1 HIS 111 -2.146 -5.855 -50.603 Start of MODEL 5 1 H1 ASP 1 H ASP 1 6.735 -6.403 -1.123 2 HA ASP 1 HA ASP 1 6.015 -3.853 -2.080 3 HB2 ASP 1 2HB ASP 1 8.578 -5.021 -3.152 4 HB3 ASP 1 3HB ASP 1 7.604 -3.894 -4.093 5 H LEU 2 H LEU 2 4.742 -3.963 -3.930 6 HA LEU 2 HA LEU 2 3.935 -6.671 -4.669 7 HB2 LEU 2 2HB LEU 2 2.675 -3.969 -5.057 8 HB3 LEU 2 3HB LEU 2 2.045 -5.429 -5.817 9 HG LEU 2 HG LEU 2 2.053 -6.274 -3.292 10 HD11 LEU 2 1HD1 LEU 2 1.969 -3.281 -3.138 11 HD12 LEU 2 2HD1 LEU 2 2.913 -4.416 -2.174 12 HD13 LEU 2 3HD1 LEU 2 1.171 -4.293 -1.933 13 HD21 LEU 2 3HD2 LEU 2 -0.228 -4.505 -3.824 14 HD22 LEU 2 1HD2 LEU 2 -0.180 -6.241 -3.518 15 HD23 LEU 2 2HD2 LEU 2 0.168 -5.621 -5.132 16 H THR 3 H THR 3 5.328 -7.414 -6.190 17 HA THR 3 HA THR 3 6.261 -5.760 -8.351 18 HB THR 3 HB THR 3 6.501 -8.737 -8.436 19 HG1 THR 3 HG1 THR 3 7.023 -8.371 -6.306 20 HG21 THR 3 3HG2 THR 3 8.663 -8.247 -9.370 21 HG22 THR 3 1HG2 THR 3 8.507 -6.541 -8.955 22 HG23 THR 3 2HG2 THR 3 7.465 -7.246 -10.191 23 H VAL 4 H VAL 4 4.534 -5.105 -9.587 24 HA VAL 4 HA VAL 4 2.578 -6.995 -10.549 25 HB VAL 4 HB VAL 4 2.992 -4.146 -11.456 26 HG11 VAL 4 1HG1 VAL 4 0.792 -4.237 -12.293 27 HG12 VAL 4 2HG1 VAL 4 1.558 -5.736 -12.823 28 HG13 VAL 4 3HG1 VAL 4 0.449 -5.748 -11.451 29 HG21 VAL 4 3HG2 VAL 4 1.159 -3.631 -9.818 30 HG22 VAL 4 1HG2 VAL 4 1.403 -5.242 -9.144 31 HG23 VAL 4 2HG2 VAL 4 2.708 -4.057 -9.092 32 H ARG 5 H ARG 5 4.407 -8.334 -11.493 33 HA ARG 5 HA ARG 5 4.698 -7.601 -14.315 34 HB2 ARG 5 2HB ARG 5 7.012 -8.121 -14.389 35 HB3 ARG 5 3HB ARG 5 6.797 -7.040 -13.019 36 HG2 ARG 5 2HG ARG 5 6.829 -8.970 -11.505 37 HG3 ARG 5 3HG ARG 5 7.088 -10.034 -12.889 38 HD2 ARG 5 2HD ARG 5 9.104 -8.405 -13.341 39 HD3 ARG 5 3HD ARG 5 8.941 -8.079 -11.616 40 HE ARG 5 HE ARG 5 9.774 -10.169 -11.171 41 HH11 ARG 5 1HH1 ARG 5 8.920 -9.956 -14.539 42 HH12 ARG 5 2HH1 ARG 5 9.655 -11.468 -14.956 43 HH21 ARG 5 1HH2 ARG 5 10.747 -12.162 -11.707 44 HH22 ARG 5 2HH2 ARG 5 10.693 -12.722 -13.344 45 H GLN 6 H GLN 6 5.654 -9.577 -15.545 46 HA GLN 6 HA GLN 6 3.943 -11.826 -14.903 47 HB2 GLN 6 2HB GLN 6 5.842 -11.614 -17.233 48 HB3 GLN 6 3HB GLN 6 4.412 -12.627 -17.092 49 HG2 GLN 6 2HG GLN 6 2.992 -10.650 -17.140 50 HG3 GLN 6 3HG GLN 6 4.420 -9.621 -17.252 51 HE21 GLN 6 1HE2 GLN 6 2.503 -9.393 -19.134 52 HE22 GLN 6 2HE2 GLN 6 3.049 -10.041 -20.639 53 H LYS 7 H LYS 7 4.581 -13.577 -13.845 54 HA LYS 7 HA LYS 7 7.460 -14.203 -13.766 55 HB2 LYS 7 2HB LYS 7 6.955 -15.176 -11.467 56 HB3 LYS 7 3HB LYS 7 6.963 -13.422 -11.596 57 HG2 LYS 7 2HG LYS 7 4.543 -13.385 -11.662 58 HG3 LYS 7 3HG LYS 7 4.496 -15.149 -11.625 59 HD2 LYS 7 2HD LYS 7 5.948 -13.700 -9.461 60 HD3 LYS 7 3HD LYS 7 4.183 -13.737 -9.427 61 HE2 LYS 7 2HE LYS 7 4.643 -15.627 -8.226 62 HE3 LYS 7 3HE LYS 7 4.569 -16.309 -9.850 63 HZ1 LYS 7 3HZ LYS 7 6.775 -16.707 -9.882 64 HZ2 LYS 7 1HZ LYS 7 6.590 -16.732 -8.200 65 HZ3 LYS 7 2HZ LYS 7 7.167 -15.340 -8.966 66 H GLY 8 H GLY 8 8.007 -16.194 -14.402 67 HA2 GLY 8 2HA GLY 8 7.599 -18.599 -14.259 68 HA3 GLY 8 3HA GLY 8 5.889 -18.251 -14.474 69 H ASN 9 H ASN 9 7.272 -20.101 -16.047 70 HA ASN 9 HA ASN 9 7.983 -18.862 -18.551 71 HB2 ASN 9 2HB ASN 9 7.505 -21.795 -17.995 72 HB3 ASN 9 3HB ASN 9 8.403 -21.100 -19.341 73 HD21 ASN 9 1HD2 ASN 9 9.442 -23.029 -17.624 74 HD22 ASN 9 2HD2 ASN 9 10.742 -22.327 -16.727 75 H LYS 10 H LYS 10 5.169 -20.335 -17.127 76 HA LYS 10 HA LYS 10 3.672 -19.740 -19.589 77 HB2 LYS 10 2HB LYS 10 3.722 -22.253 -17.981 78 HB3 LYS 10 3HB LYS 10 2.198 -21.760 -18.707 79 HG2 LYS 10 2HG LYS 10 3.034 -23.093 -20.357 80 HG3 LYS 10 3HG LYS 10 3.666 -21.526 -20.868 81 HD2 LYS 10 2HD LYS 10 5.786 -22.052 -19.696 82 HD3 LYS 10 3HD LYS 10 5.145 -23.653 -19.319 83 HE2 LYS 10 2HE LYS 10 5.602 -22.518 -22.077 84 HE3 LYS 10 3HE LYS 10 6.599 -23.729 -21.274 85 HZ1 LYS 10 3HZ LYS 10 5.287 -25.157 -22.368 86 HZ2 LYS 10 1HZ LYS 10 4.053 -24.026 -22.610 87 HZ3 LYS 10 2HZ LYS 10 4.170 -24.848 -21.136 88 H VAL 11 H VAL 11 3.517 -17.733 -18.123 89 HA VAL 11 HA VAL 11 1.934 -17.761 -15.799 90 HB VAL 11 HB VAL 11 1.701 -15.373 -16.075 91 HG11 VAL 11 1HG1 VAL 11 4.406 -15.543 -17.154 92 HG12 VAL 11 2HG1 VAL 11 3.846 -14.986 -15.576 93 HG13 VAL 11 3HG1 VAL 11 4.089 -16.708 -15.868 94 HG21 VAL 11 3HG2 VAL 11 1.100 -15.098 -18.334 95 HG22 VAL 11 1HG2 VAL 11 2.675 -14.319 -18.179 96 HG23 VAL 11 2HG2 VAL 11 2.550 -15.921 -18.907 97 H ILE 12 H ILE 12 -0.126 -16.093 -15.988 98 HA ILE 12 HA ILE 12 -1.990 -17.497 -17.781 99 HB ILE 12 HB ILE 12 -3.765 -16.623 -16.209 100 HG12 ILE 12 2HG1 ILE 12 -1.451 -16.194 -14.320 101 HG13 ILE 12 3HG1 ILE 12 -2.197 -14.879 -15.220 102 HG21 ILE 12 1HG2 ILE 12 -3.383 -18.374 -14.549 103 HG22 ILE 12 2HG2 ILE 12 -3.001 -18.939 -16.175 104 HG23 ILE 12 3HG2 ILE 12 -1.702 -18.502 -15.066 105 HD11 ILE 12 3HD1 ILE 12 -3.422 -14.693 -13.347 106 HD12 ILE 12 1HD1 ILE 12 -4.381 -15.961 -14.109 107 HD13 ILE 12 2HD1 ILE 12 -3.179 -16.378 -12.888 108 H LYS 13 H LYS 13 -3.836 -16.209 -18.580 109 HA LYS 13 HA LYS 13 -2.953 -13.894 -19.929 110 HB2 LYS 13 2HB LYS 13 -5.400 -13.654 -20.534 111 HB3 LYS 13 3HB LYS 13 -4.651 -15.185 -20.967 112 HG2 LYS 13 2HG LYS 13 -5.841 -15.268 -18.327 113 HG3 LYS 13 3HG LYS 13 -7.011 -14.839 -19.577 114 HD2 LYS 13 2HD LYS 13 -5.144 -17.196 -19.783 115 HD3 LYS 13 3HD LYS 13 -6.778 -17.302 -19.122 116 HE2 LYS 13 2HE LYS 13 -7.336 -16.066 -21.422 117 HE3 LYS 13 3HE LYS 13 -5.871 -16.914 -21.917 118 HZ1 LYS 13 3HZ LYS 13 -8.404 -18.072 -20.919 119 HZ2 LYS 13 1HZ LYS 13 -6.965 -18.963 -20.950 120 HZ3 LYS 13 2HZ LYS 13 -7.622 -18.367 -22.390 121 HA PRO 14 HA PRO 14 -3.779 -10.604 -17.144 122 HB2 PRO 14 2HB PRO 14 -4.617 -8.656 -18.840 123 HB3 PRO 14 3HB PRO 14 -2.934 -9.188 -18.744 124 HG2 PRO 14 2HG PRO 14 -5.050 -9.946 -20.721 125 HG3 PRO 14 3HG PRO 14 -3.345 -9.549 -21.004 126 HD2 PRO 14 2HD PRO 14 -4.255 -12.098 -20.930 127 HD3 PRO 14 3HD PRO 14 -2.624 -11.651 -20.391 128 H ASP 15 H ASP 15 -5.572 -8.713 -16.944 129 HA ASP 15 HA ASP 15 -8.150 -10.127 -16.849 130 HB2 ASP 15 2HB ASP 15 -6.949 -7.978 -15.118 131 HB3 ASP 15 3HB ASP 15 -8.685 -8.278 -15.128 132 H GLU 16 H GLU 16 -7.228 -8.845 -19.229 133 HA GLU 16 HA GLU 16 -8.126 -6.262 -19.650 134 HB2 GLU 16 2HB GLU 16 -8.410 -6.946 -22.039 135 HB3 GLU 16 3HB GLU 16 -6.853 -7.378 -21.346 136 HG2 GLU 16 2HG GLU 16 -7.349 -9.634 -21.299 137 HG3 GLU 16 3HG GLU 16 -9.089 -9.356 -21.357 138 H THR 17 H THR 17 -9.940 -9.217 -19.350 139 HA THR 17 HA THR 17 -12.352 -8.452 -20.534 140 HB THR 17 HB THR 17 -13.416 -10.124 -18.995 141 HG1 THR 17 HG1 THR 17 -12.349 -10.699 -17.269 142 HG21 THR 17 3HG2 THR 17 -10.885 -11.118 -20.304 143 HG22 THR 17 1HG2 THR 17 -12.368 -10.734 -21.176 144 HG23 THR 17 2HG2 THR 17 -12.355 -12.040 -19.990 145 H ARG 18 H ARG 18 -10.938 -7.589 -17.480 146 HA ARG 18 HA ARG 18 -13.436 -6.388 -16.548 147 HB2 ARG 18 2HB ARG 18 -10.750 -6.706 -15.196 148 HB3 ARG 18 3HB ARG 18 -12.156 -5.952 -14.457 149 HG2 ARG 18 2HG ARG 18 -13.369 -8.137 -14.848 150 HG3 ARG 18 3HG ARG 18 -11.792 -8.826 -15.240 151 HD2 ARG 18 2HD ARG 18 -12.694 -7.619 -12.635 152 HD3 ARG 18 3HD ARG 18 -12.200 -9.283 -12.945 153 HE ARG 18 HE ARG 18 -10.025 -7.726 -13.591 154 HH11 ARG 18 1HH1 ARG 18 -11.972 -8.299 -10.763 155 HH12 ARG 18 2HH1 ARG 18 -10.679 -7.995 -9.651 156 HH21 ARG 18 1HH2 ARG 18 -8.314 -7.324 -12.137 157 HH22 ARG 18 2HH2 ARG 18 -8.599 -7.440 -10.434 158 H VAL 19 H VAL 19 -13.151 -4.180 -15.458 159 HA VAL 19 HA VAL 19 -11.144 -2.420 -16.462 160 HB VAL 19 HB VAL 19 -12.406 -2.565 -18.519 161 HG11 VAL 19 1HG1 VAL 19 -14.615 -2.805 -18.603 162 HG12 VAL 19 2HG1 VAL 19 -14.615 -2.855 -16.839 163 HG13 VAL 19 3HG1 VAL 19 -14.868 -1.324 -17.679 164 HG21 VAL 19 3HG2 VAL 19 -11.607 -0.294 -17.417 165 HG22 VAL 19 1HG2 VAL 19 -12.475 -0.324 -18.952 166 HG23 VAL 19 2HG2 VAL 19 -13.336 0.052 -17.460 167 H LYS 20 H LYS 20 -10.892 -0.888 -14.981 168 HA LYS 20 HA LYS 20 -13.225 -0.101 -13.361 169 HB2 LYS 20 2HB LYS 20 -10.385 -0.113 -12.353 170 HB3 LYS 20 3HB LYS 20 -11.865 0.046 -11.418 171 HG2 LYS 20 2HG LYS 20 -11.385 -2.123 -10.973 172 HG3 LYS 20 3HG LYS 20 -12.336 -2.348 -12.443 173 HD2 LYS 20 2HD LYS 20 -10.501 -2.875 -13.712 174 HD3 LYS 20 3HD LYS 20 -9.401 -1.929 -12.707 175 HE2 LYS 20 2HE LYS 20 -10.012 -3.735 -10.902 176 HE3 LYS 20 3HE LYS 20 -10.435 -4.699 -12.315 177 HZ1 LYS 20 3HZ LYS 20 -8.109 -3.970 -13.134 178 HZ2 LYS 20 1HZ LYS 20 -8.233 -5.221 -12.002 179 HZ3 LYS 20 2HZ LYS 20 -7.805 -3.664 -11.498 180 H GLN 21 H GLN 21 -11.948 1.063 -15.821 181 HA GLN 21 HA GLN 21 -11.967 3.801 -14.910 182 HB2 GLN 21 2HB GLN 21 -9.474 2.418 -15.684 183 HB3 GLN 21 3HB GLN 21 -9.725 3.997 -16.416 184 HG2 GLN 21 2HG GLN 21 -10.011 4.972 -14.184 185 HG3 GLN 21 3HG GLN 21 -9.709 3.389 -13.469 186 HE21 GLN 21 1HE2 GLN 21 -7.643 2.455 -14.957 187 HE22 GLN 21 2HE2 GLN 21 -6.251 3.455 -14.741 188 H PHE 22 H PHE 22 -12.000 5.341 -16.698 189 HA PHE 22 HA PHE 22 -13.511 4.292 -18.915 190 HB2 PHE 22 2HB PHE 22 -14.304 6.354 -18.061 191 HB3 PHE 22 3HB PHE 22 -12.695 7.069 -18.079 192 HD1 PHE 22 HD1 PHE 22 -14.998 5.440 -20.527 193 HD2 PHE 22 HD2 PHE 22 -12.354 8.665 -19.679 194 HE1 PHE 22 HE1 PHE 22 -15.454 6.393 -22.749 195 HE2 PHE 22 HE2 PHE 22 -12.806 9.624 -21.898 196 HZ PHE 22 HZ PHE 22 -14.358 8.489 -23.437 197 H LEU 23 H LEU 23 -10.307 5.627 -18.379 198 HA LEU 23 HA LEU 23 -9.647 5.704 -21.180 199 HB2 LEU 23 2HB LEU 23 -7.849 5.911 -18.769 200 HB3 LEU 23 3HB LEU 23 -7.414 6.312 -20.429 201 HG LEU 23 HG LEU 23 -7.779 8.391 -19.503 202 HD11 LEU 23 1HD1 LEU 23 -10.509 7.609 -20.513 203 HD12 LEU 23 2HD1 LEU 23 -9.143 8.085 -21.521 204 HD13 LEU 23 3HD1 LEU 23 -9.860 9.245 -20.403 205 HD21 LEU 23 3HD2 LEU 23 -8.824 8.719 -17.568 206 HD22 LEU 23 1HD2 LEU 23 -9.148 6.985 -17.533 207 HD23 LEU 23 2HD2 LEU 23 -10.344 8.093 -18.207 208 H GLU 24 H GLU 24 -9.768 3.303 -18.807 209 HA GLU 24 HA GLU 24 -7.621 1.681 -19.852 210 HB2 GLU 24 2HB GLU 24 -9.575 1.487 -17.633 211 HB3 GLU 24 3HB GLU 24 -9.012 -0.036 -18.309 212 HG2 GLU 24 2HG GLU 24 -6.661 0.858 -17.975 213 HG3 GLU 24 3HG GLU 24 -7.399 2.126 -16.998 214 H GLY 25 H GLY 25 -10.534 2.466 -21.066 215 HA2 GLY 25 2HA GLY 25 -11.155 -0.223 -22.077 216 HA3 GLY 25 3HA GLY 25 -12.223 1.171 -22.148 217 H PHE 26 H PHE 26 -9.163 2.156 -22.977 218 HA PHE 26 HA PHE 26 -9.635 1.653 -25.839 219 HB2 PHE 26 2HB PHE 26 -8.527 4.230 -24.719 220 HB3 PHE 26 3HB PHE 26 -8.992 3.899 -26.384 221 HD1 PHE 26 HD1 PHE 26 -11.442 3.452 -26.872 222 HD2 PHE 26 HD2 PHE 26 -10.061 5.106 -23.201 223 HE1 PHE 26 HE1 PHE 26 -13.701 4.312 -26.413 224 HE2 PHE 26 HE2 PHE 26 -12.318 5.968 -22.736 225 HZ PHE 26 HZ PHE 26 -14.142 5.570 -24.343 226 H ASN 27 H ASN 27 -7.715 1.767 -27.185 227 HA ASN 27 HA ASN 27 -5.568 0.298 -26.145 228 HB2 ASN 27 2HB ASN 27 -6.147 1.701 -28.699 229 HB3 ASN 27 3HB ASN 27 -4.458 1.333 -28.363 230 HD21 ASN 27 1HD2 ASN 27 -4.745 0.000 -30.305 231 HD22 ASN 27 2HD2 ASN 27 -5.343 -1.609 -30.114 232 H ILE 28 H ILE 28 -3.248 1.008 -26.242 233 HA ILE 28 HA ILE 28 -2.947 3.396 -24.644 234 HB ILE 28 HB ILE 28 -1.684 1.350 -24.098 235 HG12 ILE 28 2HG1 ILE 28 0.542 2.445 -23.835 236 HG13 ILE 28 3HG1 ILE 28 -0.004 3.737 -24.899 237 HG21 ILE 28 1HG2 ILE 28 0.227 0.692 -25.494 238 HG22 ILE 28 2HG2 ILE 28 -1.307 0.515 -26.345 239 HG23 ILE 28 3HG2 ILE 28 -0.256 1.886 -26.700 240 HD11 ILE 28 3HD1 ILE 28 -1.531 4.537 -23.334 241 HD12 ILE 28 1HD1 ILE 28 -1.487 3.047 -22.393 242 HD13 ILE 28 2HD1 ILE 28 -0.100 4.136 -22.385 243 H GLU 29 H GLU 29 -2.410 2.416 -27.934 244 HA GLU 29 HA GLU 29 -0.647 4.564 -28.616 245 HB2 GLU 29 2HB GLU 29 -1.101 3.870 -30.956 246 HB3 GLU 29 3HB GLU 29 -0.588 2.541 -29.927 247 HG2 GLU 29 2HG GLU 29 -2.658 1.544 -29.942 248 HG3 GLU 29 3HG GLU 29 -3.497 3.049 -30.314 249 H THR 30 H THR 30 -4.083 4.139 -28.444 250 HA THR 30 HA THR 30 -4.941 6.164 -30.173 251 HB THR 30 HB THR 30 -7.030 6.184 -28.902 252 HG1 THR 30 HG1 THR 30 -7.160 5.378 -26.904 253 HG21 THR 30 3HG2 THR 30 -7.115 3.471 -28.727 254 HG22 THR 30 1HG2 THR 30 -5.723 3.702 -29.784 255 HG23 THR 30 2HG2 THR 30 -7.289 4.379 -30.229 256 H PHE 31 H PHE 31 -3.411 6.335 -27.098 257 HA PHE 31 HA PHE 31 -4.266 9.074 -26.612 258 HB2 PHE 31 2HB PHE 31 -2.268 7.456 -25.026 259 HB3 PHE 31 3HB PHE 31 -3.136 8.897 -24.505 260 HD1 PHE 31 HD1 PHE 31 -5.853 8.091 -25.607 261 HD2 PHE 31 HD2 PHE 31 -2.953 5.987 -23.310 262 HE1 PHE 31 HE1 PHE 31 -7.632 6.678 -24.662 263 HE2 PHE 31 HE2 PHE 31 -4.726 4.570 -22.362 264 HZ PHE 31 HZ PHE 31 -7.069 4.913 -23.038 265 H GLU 32 H GLU 32 -2.873 10.852 -26.556 266 HA GLU 32 HA GLU 32 -0.190 10.462 -27.681 267 HB2 GLU 32 2HB GLU 32 -2.188 12.518 -28.643 268 HB3 GLU 32 3HB GLU 32 -0.515 12.400 -29.168 269 HG2 GLU 32 2HG GLU 32 -0.891 10.490 -30.397 270 HG3 GLU 32 3HG GLU 32 -2.327 10.052 -29.473 271 H MET 33 H MET 33 1.308 11.462 -26.515 272 HA MET 33 HA MET 33 0.762 12.936 -24.217 273 HB2 MET 33 2HB MET 33 2.897 11.779 -24.643 274 HB3 MET 33 3HB MET 33 3.288 12.969 -25.878 275 HG2 MET 33 2HG MET 33 3.104 14.717 -24.062 276 HG3 MET 33 3HG MET 33 3.061 13.380 -22.915 277 HE1 MET 33 3HE MET 33 5.821 13.846 -21.623 278 HE2 MET 33 1HE MET 33 6.472 15.158 -22.606 279 HE3 MET 33 2HE MET 33 4.768 15.160 -22.152 280 H VAL 34 H VAL 34 0.329 15.017 -23.824 281 HA VAL 34 HA VAL 34 0.572 16.920 -26.063 282 HB VAL 34 HB VAL 34 -1.326 18.134 -25.189 283 HG11 VAL 34 1HG1 VAL 34 -3.063 16.600 -25.720 284 HG12 VAL 34 2HG1 VAL 34 -1.663 16.150 -26.695 285 HG13 VAL 34 3HG1 VAL 34 -2.073 15.218 -25.254 286 HG21 VAL 34 3HG2 VAL 34 -1.647 18.044 -22.978 287 HG22 VAL 34 1HG2 VAL 34 -2.526 16.548 -23.290 288 HG23 VAL 34 2HG2 VAL 34 -0.823 16.492 -22.836 289 H GLY 35 H GLY 35 1.247 16.270 -22.725 290 HA2 GLY 35 2HA GLY 35 3.206 18.315 -22.581 291 HA3 GLY 35 3HA GLY 35 1.752 18.815 -21.730 292 H THR 36 H THR 36 3.677 18.778 -20.079 293 HA THR 36 HA THR 36 3.247 16.409 -18.451 294 HB THR 36 HB THR 36 5.900 16.591 -18.031 295 HG1 THR 36 HG1 THR 36 5.434 17.359 -20.726 296 HG21 THR 36 3HG2 THR 36 4.894 14.491 -18.418 297 HG22 THR 36 1HG2 THR 36 6.101 14.668 -19.691 298 HG23 THR 36 2HG2 THR 36 4.396 14.941 -20.049 299 H LEU 37 H LEU 37 3.326 16.824 -16.292 300 HA LEU 37 HA LEU 37 3.977 19.589 -15.518 301 HB2 LEU 37 2HB LEU 37 1.608 18.810 -15.258 302 HB3 LEU 37 3HB LEU 37 2.187 17.654 -14.061 303 HG LEU 37 HG LEU 37 1.133 19.803 -13.198 304 HD11 LEU 37 1HD1 LEU 37 3.677 19.901 -11.891 305 HD12 LEU 37 2HD1 LEU 37 3.258 18.228 -12.256 306 HD13 LEU 37 3HD1 LEU 37 2.151 19.229 -11.316 307 HD21 LEU 37 3HD2 LEU 37 2.744 21.058 -14.944 308 HD22 LEU 37 1HD2 LEU 37 3.750 21.135 -13.497 309 HD23 LEU 37 2HD2 LEU 37 2.122 21.815 -13.476 310 H SER 38 H SER 38 5.311 19.984 -13.801 311 HA SER 38 HA SER 38 6.307 17.744 -12.220 312 HB2 SER 38 2HB SER 38 8.643 18.254 -12.664 313 HB3 SER 38 3HB SER 38 7.820 17.921 -14.188 314 HG SER 38 HG SER 38 9.223 19.831 -14.131 315 H ASN 39 H ASN 39 6.457 18.304 -10.152 316 HA ASN 39 HA ASN 39 7.421 20.842 -9.281 317 HB2 ASN 39 2HB ASN 39 5.446 21.760 -8.313 318 HB3 ASN 39 3HB ASN 39 5.040 21.354 -9.978 319 HD21 ASN 39 1HD2 ASN 39 4.390 18.845 -10.046 320 HD22 ASN 39 2HD2 ASN 39 3.111 18.456 -8.952 321 H ALA 40 H ALA 40 6.454 20.974 -6.743 322 HA ALA 40 HA ALA 40 7.949 19.099 -5.352 323 HB1 ALA 40 1HB ALA 40 7.457 21.016 -4.152 324 HB2 ALA 40 2HB ALA 40 5.739 20.947 -4.546 325 HB3 ALA 40 3HB ALA 40 6.424 19.811 -3.383 326 H GLN 41 H GLN 41 4.566 19.012 -6.309 327 HA GLN 41 HA GLN 41 3.769 16.813 -4.748 328 HB2 GLN 41 2HB GLN 41 2.712 18.300 -7.051 329 HB3 GLN 41 3HB GLN 41 2.200 16.619 -6.981 330 HG2 GLN 41 2HG GLN 41 1.823 18.713 -4.855 331 HG3 GLN 41 3HG GLN 41 0.578 17.998 -5.877 332 HE21 GLN 41 1HE2 GLN 41 0.378 18.002 -3.131 333 HE22 GLN 41 2HE2 GLN 41 0.517 16.383 -2.544 334 H GLY 42 H GLY 42 5.557 17.039 -7.721 335 HA2 GLY 42 2HA GLY 42 6.951 14.874 -7.904 336 HA3 GLY 42 3HA GLY 42 5.373 14.125 -8.093 337 H THR 43 H THR 43 6.323 13.384 -10.144 338 HA THR 43 HA THR 43 6.202 15.468 -12.225 339 HB THR 43 HB THR 43 7.488 12.818 -12.739 340 HG1 THR 43 HG1 THR 43 8.864 15.011 -11.553 341 HG21 THR 43 3HG2 THR 43 8.527 13.894 -14.476 342 HG22 THR 43 1HG2 THR 43 8.539 15.452 -13.650 343 HG23 THR 43 2HG2 THR 43 7.048 14.849 -14.375 344 H PHE 44 H PHE 44 4.170 15.421 -12.994 345 HA PHE 44 HA PHE 44 2.930 12.821 -13.554 346 HB2 PHE 44 2HB PHE 44 1.607 15.534 -13.651 347 HB3 PHE 44 3HB PHE 44 0.822 13.959 -13.611 348 HD1 PHE 44 HD2 PHE 44 2.743 16.401 -11.636 349 HD2 PHE 44 HD1 PHE 44 0.439 12.823 -11.567 350 HE1 PHE 44 HE2 PHE 44 2.626 16.528 -9.181 351 HE2 PHE 44 HE1 PHE 44 0.318 12.944 -9.112 352 HZ PHE 44 HZ PHE 44 1.413 14.798 -7.916 353 H ALA 45 H ALA 45 1.807 12.514 -15.582 354 HA ALA 45 HA ALA 45 3.065 14.014 -17.786 355 HB1 ALA 45 1HB ALA 45 2.835 11.997 -19.145 356 HB2 ALA 45 2HB ALA 45 3.789 11.686 -17.694 357 HB3 ALA 45 3HB ALA 45 2.111 11.153 -17.776 358 H LEU 46 H LEU 46 1.782 15.056 -19.176 359 HA LEU 46 HA LEU 46 -1.114 14.765 -18.857 360 HB2 LEU 46 2HB LEU 46 0.316 16.879 -20.442 361 HB3 LEU 46 3HB LEU 46 -1.334 16.911 -19.823 362 HG LEU 46 HG LEU 46 1.207 17.151 -18.215 363 HD11 LEU 46 1HD1 LEU 46 -0.889 19.213 -18.123 364 HD12 LEU 46 2HD1 LEU 46 -0.019 19.078 -19.651 365 HD13 LEU 46 3HD1 LEU 46 0.867 19.373 -18.156 366 HD21 LEU 46 3HD2 LEU 46 -0.417 17.612 -16.335 367 HD22 LEU 46 1HD2 LEU 46 -0.301 15.933 -16.862 368 HD23 LEU 46 2HD2 LEU 46 -1.671 16.923 -17.367 369 H VAL 47 H VAL 47 -2.100 13.432 -20.214 370 HA VAL 47 HA VAL 47 -1.161 13.324 -23.007 371 HB VAL 47 HB VAL 47 -0.736 11.227 -21.664 372 HG11 VAL 47 1HG1 VAL 47 -3.226 11.585 -20.690 373 HG12 VAL 47 2HG1 VAL 47 -3.550 10.413 -21.969 374 HG13 VAL 47 3HG1 VAL 47 -2.387 10.034 -20.697 375 HG21 VAL 47 3HG2 VAL 47 -1.323 9.770 -23.460 376 HG22 VAL 47 1HG2 VAL 47 -2.620 10.845 -23.983 377 HG23 VAL 47 2HG2 VAL 47 -0.938 11.342 -24.161 378 H LYS 48 H LYS 48 -2.810 12.816 -24.599 379 HA LYS 48 HA LYS 48 -5.536 13.513 -23.734 380 HB2 LYS 48 2HB LYS 48 -4.479 15.465 -24.799 381 HB3 LYS 48 3HB LYS 48 -4.143 14.501 -26.231 382 HG2 LYS 48 2HG LYS 48 -6.636 14.142 -26.418 383 HG3 LYS 48 3HG LYS 48 -6.813 15.387 -25.179 384 HD2 LYS 48 2HD LYS 48 -5.489 16.920 -26.649 385 HD3 LYS 48 3HD LYS 48 -5.557 15.682 -27.905 386 HE2 LYS 48 2HE LYS 48 -7.993 15.791 -27.893 387 HE3 LYS 48 3HE LYS 48 -7.943 16.997 -26.608 388 HZ1 LYS 48 3HZ LYS 48 -8.260 18.076 -28.711 389 HZ2 LYS 48 1HZ LYS 48 -6.898 17.316 -29.368 390 HZ3 LYS 48 2HZ LYS 48 -6.716 18.460 -28.135 391 H GLY 49 H GLY 49 -7.204 12.437 -24.737 392 HA2 GLY 49 2HA GLY 49 -7.163 11.053 -27.128 393 HA3 GLY 49 3HA GLY 49 -6.578 9.921 -25.918 394 H ALA 50 H ALA 50 -8.708 9.017 -27.031 395 HA ALA 50 HA ALA 50 -10.901 8.418 -26.820 396 HB1 ALA 50 1HB ALA 50 -10.595 9.076 -23.905 397 HB2 ALA 50 2HB ALA 50 -11.568 7.809 -24.653 398 HB3 ALA 50 3HB ALA 50 -9.810 7.678 -24.640 399 H GLY 51 H GLY 51 -10.352 11.255 -27.359 400 HA2 GLY 51 2HA GLY 51 -11.640 13.132 -27.698 401 HA3 GLY 51 3HA GLY 51 -13.006 12.236 -27.050 402 H GLY 52 H GLY 52 -9.968 12.893 -25.378 403 HA2 GLY 52 2HA GLY 52 -10.910 15.132 -23.909 404 HA3 GLY 52 3HA GLY 52 -11.140 13.658 -22.980 405 H VAL 53 H VAL 53 -9.632 15.029 -21.581 406 HA VAL 53 HA VAL 53 -6.835 14.459 -22.322 407 HB VAL 53 HB VAL 53 -6.312 16.277 -20.585 408 HG11 VAL 53 1HG1 VAL 53 -6.097 16.457 -23.081 409 HG12 VAL 53 2HG1 VAL 53 -7.694 17.208 -23.094 410 HG13 VAL 53 3HG1 VAL 53 -6.360 17.985 -22.240 411 HG21 VAL 53 3HG2 VAL 53 -9.162 17.056 -21.190 412 HG22 VAL 53 1HG2 VAL 53 -8.616 16.356 -19.666 413 HG23 VAL 53 2HG2 VAL 53 -8.013 17.932 -20.179 414 H HIS 54 H HIS 54 -5.589 13.311 -20.943 415 HA HIS 54 HA HIS 54 -6.754 12.579 -18.338 416 HB2 HIS 54 2HB HIS 54 -4.982 10.623 -19.705 417 HB3 HIS 54 3HB HIS 54 -6.370 10.344 -18.657 418 HD1 HIS 54 HD1 HIS 54 -5.536 9.460 -21.820 419 HD2 HIS 54 HD2 HIS 54 -8.744 11.666 -20.372 420 HE1 HIS 54 HE1 HIS 54 -7.320 9.289 -23.584 421 H ARG 55 H ARG 55 -5.176 11.905 -16.716 422 HA ARG 55 HA ARG 55 -2.462 12.922 -17.190 423 HB2 ARG 55 2HB ARG 55 -2.452 14.088 -15.065 424 HB3 ARG 55 3HB ARG 55 -3.778 14.681 -16.056 425 HG2 ARG 55 2HG ARG 55 -5.317 13.205 -14.792 426 HG3 ARG 55 3HG ARG 55 -3.969 12.767 -13.742 427 HD2 ARG 55 2HD ARG 55 -3.726 15.347 -13.453 428 HD3 ARG 55 3HD ARG 55 -5.398 15.377 -14.010 429 HE ARG 55 HE ARG 55 -5.371 13.512 -12.015 430 HH11 ARG 55 1HH1 ARG 55 -4.466 16.864 -12.274 431 HH12 ARG 55 2HH1 ARG 55 -4.831 17.225 -10.619 432 HH21 ARG 55 1HH2 ARG 55 -5.853 13.975 -9.834 433 HH22 ARG 55 2HH2 ARG 55 -5.618 15.581 -9.232 434 H VAL 56 H VAL 56 -0.933 11.560 -16.527 435 HA VAL 56 HA VAL 56 -1.474 9.724 -14.317 436 HB VAL 56 HB VAL 56 -0.452 7.837 -15.629 437 HG11 VAL 56 1HG1 VAL 56 -3.022 8.524 -15.334 438 HG12 VAL 56 2HG1 VAL 56 -2.918 8.553 -17.095 439 HG13 VAL 56 3HG1 VAL 56 -2.507 7.083 -16.211 440 HG21 VAL 56 3HG2 VAL 56 -1.247 8.901 -18.208 441 HG22 VAL 56 1HG2 VAL 56 0.072 9.822 -17.486 442 HG23 VAL 56 2HG2 VAL 56 0.243 8.085 -17.734 443 H ARG 57 H ARG 57 0.302 9.209 -13.115 444 HA ARG 57 HA ARG 57 2.858 10.388 -13.989 445 HB2 ARG 57 2HB ARG 57 3.335 10.493 -11.475 446 HB3 ARG 57 3HB ARG 57 2.182 11.650 -12.127 447 HG2 ARG 57 2HG ARG 57 0.382 10.635 -11.117 448 HG3 ARG 57 3HG ARG 57 1.192 9.071 -11.007 449 HD2 ARG 57 2HD ARG 57 2.303 11.385 -9.492 450 HD3 ARG 57 3HD ARG 57 0.858 10.582 -8.881 451 HE ARG 57 HE ARG 57 2.939 8.733 -9.520 452 HH11 ARG 57 1HH1 ARG 57 1.798 10.962 -7.101 453 HH12 ARG 57 2HH1 ARG 57 2.586 10.146 -5.791 454 HH21 ARG 57 1HH2 ARG 57 3.981 7.651 -7.804 455 HH22 ARG 57 2HH2 ARG 57 3.828 8.264 -6.192 456 H VAL 58 H VAL 58 4.709 9.362 -12.526 457 HA VAL 58 HA VAL 58 5.180 6.803 -13.430 458 HB VAL 58 HB VAL 58 6.267 8.051 -10.902 459 HG11 VAL 58 1HG1 VAL 58 7.004 5.932 -10.604 460 HG12 VAL 58 2HG1 VAL 58 6.839 5.518 -12.312 461 HG13 VAL 58 3HG1 VAL 58 8.234 6.445 -11.759 462 HG21 VAL 58 3HG2 VAL 58 6.918 8.346 -13.781 463 HG22 VAL 58 1HG2 VAL 58 7.002 9.525 -12.472 464 HG23 VAL 58 2HG2 VAL 58 8.262 8.303 -12.641 465 H GLY 59 H GLY 59 4.181 4.949 -13.029 466 HA2 GLY 59 2HA GLY 59 3.723 3.191 -11.425 467 HA3 GLY 59 3HA GLY 59 3.239 4.435 -10.281 468 H ASP 60 H ASP 60 1.732 5.894 -12.375 469 HA ASP 60 HA ASP 60 -0.795 4.752 -11.930 470 HB2 ASP 60 2HB ASP 60 0.210 6.888 -13.792 471 HB3 ASP 60 3HB ASP 60 -1.470 6.360 -13.847 472 H TYR 61 H TYR 61 -2.328 4.335 -13.876 473 HA TYR 61 HA TYR 61 -0.974 2.640 -15.861 474 HB2 TYR 61 2HB TYR 61 -3.498 1.911 -14.361 475 HB3 TYR 61 3HB TYR 61 -2.734 0.952 -15.624 476 HD1 TYR 61 HD2 TYR 61 -2.492 2.073 -12.138 477 HD2 TYR 61 HD1 TYR 61 -0.747 -0.344 -15.173 478 HE1 TYR 61 HE2 TYR 61 -1.127 0.935 -10.438 479 HE2 TYR 61 HE1 TYR 61 0.623 -1.490 -13.482 480 HH TYR 61 HH TYR 61 0.155 -0.936 -10.057 481 H LEU 62 H LEU 62 -1.985 2.471 -17.874 482 HA LEU 62 HA LEU 62 -4.490 3.790 -18.389 483 HB2 LEU 62 2HB LEU 62 -3.444 5.314 -20.115 484 HB3 LEU 62 3HB LEU 62 -3.225 5.764 -18.424 485 HG LEU 62 HG LEU 62 -1.069 4.185 -19.725 486 HD11 LEU 62 1HD1 LEU 62 -0.164 5.935 -20.934 487 HD12 LEU 62 2HD1 LEU 62 -1.131 7.151 -20.100 488 HD13 LEU 62 3HD1 LEU 62 -1.886 6.085 -21.285 489 HD21 LEU 62 3HD2 LEU 62 -0.665 4.671 -17.479 490 HD22 LEU 62 1HD2 LEU 62 -1.305 6.308 -17.620 491 HD23 LEU 62 2HD2 LEU 62 0.250 5.904 -18.348 492 H GLY 63 H GLY 63 -5.300 3.389 -20.501 493 HA2 GLY 63 2HA GLY 63 -5.355 2.367 -22.596 494 HA3 GLY 63 3HA GLY 63 -3.712 1.799 -22.335 495 H ARG 64 H ARG 64 -5.700 0.190 -23.444 496 HA ARG 64 HA ARG 64 -6.873 -1.498 -21.453 497 HB2 ARG 64 2HB ARG 64 -6.769 -1.392 -24.401 498 HB3 ARG 64 3HB ARG 64 -6.938 -3.002 -23.715 499 HG2 ARG 64 2HG ARG 64 -8.960 -2.418 -22.619 500 HG3 ARG 64 3HG ARG 64 -8.733 -0.706 -22.982 501 HD2 ARG 64 2HD ARG 64 -9.800 -0.947 -24.914 502 HD3 ARG 64 3HD ARG 64 -8.649 -2.184 -25.419 503 HE ARG 64 HE ARG 64 -11.308 -2.597 -24.393 504 HH11 ARG 64 1HH1 ARG 64 -8.165 -4.008 -24.896 505 HH12 ARG 64 2HH1 ARG 64 -8.750 -5.639 -24.875 506 HH21 ARG 64 1HH2 ARG 64 -12.090 -4.740 -24.363 507 HH22 ARG 64 2HH2 ARG 64 -10.983 -6.054 -24.572 508 H ASN 65 H ASN 65 -3.765 -1.217 -22.739 509 HA ASN 65 HA ASN 65 -3.079 -4.019 -22.295 510 HB2 ASN 65 2HB ASN 65 -1.291 -1.753 -23.201 511 HB3 ASN 65 3HB ASN 65 -0.926 -3.475 -23.264 512 HD21 ASN 65 1HD2 ASN 65 -2.796 -4.727 -24.429 513 HD22 ASN 65 2HD2 ASN 65 -3.241 -4.067 -25.963 514 H ASP 66 H ASP 66 -3.779 -1.962 -20.163 515 HA ASP 66 HA ASP 66 -3.099 -1.351 -18.075 516 HB2 ASP 66 2HB ASP 66 -1.419 -3.857 -18.315 517 HB3 ASP 66 3HB ASP 66 -1.872 -3.051 -16.816 518 H GLY 67 H GLY 67 -1.784 0.074 -19.997 519 HA2 GLY 67 2HA GLY 67 1.020 0.005 -19.909 520 HA3 GLY 67 3HA GLY 67 0.051 1.411 -20.325 521 H LYS 68 H LYS 68 2.013 -0.082 -17.960 522 HA LYS 68 HA LYS 68 1.239 1.785 -15.860 523 HB2 LYS 68 2HB LYS 68 1.676 -0.538 -15.234 524 HB3 LYS 68 3HB LYS 68 3.304 -0.425 -15.891 525 HG2 LYS 68 2HG LYS 68 3.627 1.485 -14.201 526 HG3 LYS 68 3HG LYS 68 2.179 0.841 -13.424 527 HD2 LYS 68 2HD LYS 68 4.042 -0.166 -12.347 528 HD3 LYS 68 3HD LYS 68 3.328 -1.400 -13.387 529 HE2 LYS 68 2HE LYS 68 5.028 -1.005 -15.069 530 HE3 LYS 68 3HE LYS 68 5.708 0.308 -14.109 531 HZ1 LYS 68 3HZ LYS 68 5.886 -1.582 -12.328 532 HZ2 LYS 68 1HZ LYS 68 7.075 -1.397 -13.517 533 HZ3 LYS 68 2HZ LYS 68 5.884 -2.586 -13.689 534 H VAL 69 H VAL 69 2.183 3.693 -15.624 535 HA VAL 69 HA VAL 69 4.286 4.599 -17.261 536 HB VAL 69 HB VAL 69 3.382 5.795 -14.638 537 HG11 VAL 69 1HG1 VAL 69 4.202 7.899 -15.610 538 HG12 VAL 69 2HG1 VAL 69 5.490 6.707 -15.425 539 HG13 VAL 69 3HG1 VAL 69 4.788 7.009 -17.015 540 HG21 VAL 69 3HG2 VAL 69 1.405 5.824 -15.776 541 HG22 VAL 69 1HG2 VAL 69 2.126 7.297 -16.426 542 HG23 VAL 69 2HG2 VAL 69 2.186 5.800 -17.357 543 H VAL 70 H VAL 70 6.418 4.391 -17.096 544 HA VAL 70 HA VAL 70 7.547 3.562 -14.501 545 HB VAL 70 HB VAL 70 9.234 2.290 -15.645 546 HG11 VAL 70 1HG1 VAL 70 6.501 1.705 -16.781 547 HG12 VAL 70 2HG1 VAL 70 7.856 0.575 -16.745 548 HG13 VAL 70 3HG1 VAL 70 7.136 1.139 -15.236 549 HG21 VAL 70 3HG2 VAL 70 9.811 3.383 -17.583 550 HG22 VAL 70 1HG2 VAL 70 8.861 2.046 -18.230 551 HG23 VAL 70 2HG2 VAL 70 8.135 3.645 -18.064 552 H GLY 71 H GLY 71 7.813 5.651 -17.276 553 HA2 GLY 71 2HA GLY 71 9.850 7.203 -15.839 554 HA3 GLY 71 3HA GLY 71 10.174 6.725 -17.499 555 H ILE 72 H ILE 72 9.831 9.397 -16.219 556 HA ILE 72 HA ILE 72 7.896 10.430 -18.161 557 HB ILE 72 HB ILE 72 7.977 11.270 -15.260 558 HG12 ILE 72 2HG1 ILE 72 5.780 9.934 -16.855 559 HG13 ILE 72 3HG1 ILE 72 6.814 9.122 -15.685 560 HG21 ILE 72 1HG2 ILE 72 5.748 12.345 -16.618 561 HG22 ILE 72 2HG2 ILE 72 7.114 13.206 -15.911 562 HG23 ILE 72 3HG2 ILE 72 7.173 12.692 -17.596 563 HD11 ILE 72 3HD1 ILE 72 4.587 9.699 -14.803 564 HD12 ILE 72 1HD1 ILE 72 5.906 10.441 -13.897 565 HD13 ILE 72 2HD1 ILE 72 4.967 11.405 -15.038 566 H SER 73 H SER 73 8.867 11.885 -19.392 567 HA SER 73 HA SER 73 11.111 13.422 -18.257 568 HB2 SER 73 2HB SER 73 11.605 11.818 -20.169 569 HB3 SER 73 3HB SER 73 10.647 12.887 -21.194 570 HG SER 73 HG SER 73 13.072 13.435 -19.853 571 H GLU 74 H GLU 74 11.368 15.331 -20.230 572 HA GLU 74 HA GLU 74 9.026 16.988 -19.680 573 HB2 GLU 74 2HB GLU 74 10.393 18.873 -20.226 574 HB3 GLU 74 3HB GLU 74 11.339 17.817 -19.186 575 HG2 GLU 74 2HG GLU 74 12.385 16.882 -21.273 576 HG3 GLU 74 3HG GLU 74 11.594 18.186 -22.156 577 H GLY 75 H GLY 75 10.261 15.071 -22.152 578 HA2 GLY 75 2HA GLY 75 8.389 16.296 -24.054 579 HA3 GLY 75 3HA GLY 75 10.053 16.040 -24.559 580 H LYS 76 H LYS 76 8.912 13.679 -22.405 581 HA LYS 76 HA LYS 76 7.635 11.952 -24.275 582 HB2 LYS 76 2HB LYS 76 9.377 10.248 -24.449 583 HB3 LYS 76 3HB LYS 76 9.928 11.772 -25.132 584 HG2 LYS 76 2HG LYS 76 10.569 11.226 -22.289 585 HG3 LYS 76 3HG LYS 76 11.441 10.316 -23.525 586 HD2 LYS 76 2HD LYS 76 11.186 13.276 -23.805 587 HD3 LYS 76 3HD LYS 76 12.356 12.618 -22.658 588 HE2 LYS 76 2HE LYS 76 13.300 11.245 -24.504 589 HE3 LYS 76 3HE LYS 76 12.204 12.060 -25.618 590 HZ1 LYS 76 3HZ LYS 76 13.289 14.183 -24.657 591 HZ2 LYS 76 1HZ LYS 76 14.121 13.286 -25.825 592 HZ3 LYS 76 2HZ LYS 76 14.538 13.142 -24.192 593 H ILE 77 H ILE 77 6.959 9.959 -23.329 594 HA ILE 77 HA ILE 77 7.387 9.755 -20.426 595 HB ILE 77 HB ILE 77 4.710 9.340 -21.755 596 HG12 ILE 77 2HG1 ILE 77 5.383 11.717 -21.817 597 HG13 ILE 77 3HG1 ILE 77 4.021 11.448 -20.736 598 HG21 ILE 77 1HG2 ILE 77 4.388 8.163 -19.874 599 HG22 ILE 77 2HG2 ILE 77 5.790 8.871 -19.074 600 HG23 ILE 77 3HG2 ILE 77 4.258 9.743 -19.102 601 HD11 ILE 77 3HD1 ILE 77 6.533 12.651 -20.184 602 HD12 ILE 77 1HD1 ILE 77 5.137 12.460 -19.124 603 HD13 ILE 77 2HD1 ILE 77 6.369 11.200 -19.196 604 H ASP 78 H ASP 78 8.287 7.858 -20.012 605 HA ASP 78 HA ASP 78 7.957 5.633 -21.849 606 HB2 ASP 78 2HB ASP 78 9.552 5.660 -19.286 607 HB3 ASP 78 3HB ASP 78 9.739 4.577 -20.662 608 H VAL 79 H VAL 79 6.652 3.943 -21.546 609 HA VAL 79 HA VAL 79 5.664 3.332 -18.862 610 HB VAL 79 HB VAL 79 3.362 3.244 -19.516 611 HG11 VAL 79 1HG1 VAL 79 2.902 5.499 -19.556 612 HG12 VAL 79 2HG1 VAL 79 4.581 5.503 -19.014 613 HG13 VAL 79 3HG1 VAL 79 4.197 5.853 -20.699 614 HG21 VAL 79 3HG2 VAL 79 3.153 4.412 -22.017 615 HG22 VAL 79 1HG2 VAL 79 4.481 3.265 -22.192 616 HG23 VAL 79 2HG2 VAL 79 2.903 2.709 -21.633 617 H ILE 80 H ILE 80 4.755 1.204 -18.665 618 HA ILE 80 HA ILE 80 5.759 -0.631 -20.735 619 HB ILE 80 HB ILE 80 5.529 -0.864 -17.768 620 HG12 ILE 80 2HG1 ILE 80 7.661 -0.284 -18.986 621 HG13 ILE 80 3HG1 ILE 80 7.768 -1.691 -17.933 622 HG21 ILE 80 1HG2 ILE 80 5.330 -3.141 -19.720 623 HG22 ILE 80 2HG2 ILE 80 5.895 -3.356 -18.064 624 HG23 ILE 80 3HG2 ILE 80 4.263 -2.760 -18.368 625 HD11 ILE 80 3HD1 ILE 80 7.676 -3.174 -19.797 626 HD12 ILE 80 1HD1 ILE 80 7.323 -1.845 -20.902 627 HD13 ILE 80 2HD1 ILE 80 8.903 -1.950 -20.125 628 H GLU 81 H GLU 81 4.254 -1.479 -22.000 629 HA GLU 81 HA GLU 81 1.554 -1.897 -20.897 630 HB2 GLU 81 2HB GLU 81 2.345 -1.553 -23.794 631 HB3 GLU 81 3HB GLU 81 0.708 -1.707 -23.172 632 HG2 GLU 81 2HG GLU 81 0.647 0.507 -23.132 633 HG3 GLU 81 3HG GLU 81 1.737 0.418 -21.750 634 H ILE 82 H ILE 82 0.354 -3.746 -21.826 635 HA ILE 82 HA ILE 82 2.118 -6.071 -21.994 636 HB ILE 82 HB ILE 82 -0.884 -6.008 -21.673 637 HG12 ILE 82 2HG1 ILE 82 0.172 -4.937 -19.761 638 HG13 ILE 82 3HG1 ILE 82 -0.424 -6.526 -19.293 639 HG21 ILE 82 1HG2 ILE 82 0.765 -8.092 -22.416 640 HG22 ILE 82 2HG2 ILE 82 0.553 -8.328 -20.682 641 HG23 ILE 82 3HG2 ILE 82 -0.857 -8.237 -21.737 642 HD11 ILE 82 3HD1 ILE 82 2.432 -5.891 -19.996 643 HD12 ILE 82 1HD1 ILE 82 1.787 -6.017 -18.359 644 HD13 ILE 82 2HD1 ILE 82 1.808 -7.433 -19.411 645 H VAL 83 H VAL 83 2.447 -7.157 -23.822 646 HA VAL 83 HA VAL 83 0.551 -6.789 -26.045 647 HB VAL 83 HB VAL 83 2.515 -5.431 -26.518 648 HG11 VAL 83 1HG1 VAL 83 4.715 -6.221 -26.538 649 HG12 VAL 83 2HG1 VAL 83 4.022 -6.917 -25.071 650 HG13 VAL 83 3HG1 VAL 83 4.206 -7.909 -26.518 651 HG21 VAL 83 3HG2 VAL 83 2.324 -7.949 -28.165 652 HG22 VAL 83 1HG2 VAL 83 1.454 -6.436 -28.418 653 HG23 VAL 83 2HG2 VAL 83 3.199 -6.502 -28.665 654 HA PRO 84 HA PRO 84 0.506 -11.212 -26.026 655 HB2 PRO 84 2HB PRO 84 -0.780 -11.557 -28.391 656 HB3 PRO 84 3HB PRO 84 -1.603 -11.031 -26.918 657 HG2 PRO 84 2HG PRO 84 -0.628 -9.398 -29.230 658 HG3 PRO 84 3HG PRO 84 -2.158 -9.277 -28.341 659 HD2 PRO 84 2HD PRO 84 -0.074 -7.608 -27.888 660 HD3 PRO 84 3HD PRO 84 -1.203 -8.096 -26.607 661 H ASP 85 H ASP 85 1.704 -12.868 -26.864 662 HA ASP 85 HA ASP 85 3.902 -12.166 -28.579 663 HB2 ASP 85 2HB ASP 85 4.430 -13.665 -26.820 664 HB3 ASP 85 3HB ASP 85 3.069 -14.716 -27.204 665 H GLY 86 H GLY 86 1.231 -14.522 -28.796 666 HA2 GLY 86 2HA GLY 86 0.307 -14.118 -31.275 667 HA3 GLY 86 3HA GLY 86 1.807 -14.970 -31.609 668 H GLU 87 H GLU 87 1.426 -16.477 -29.007 669 HA GLU 87 HA GLU 87 -0.442 -18.466 -30.100 670 HB2 GLU 87 2HB GLU 87 0.801 -20.149 -29.025 671 HB3 GLU 87 3HB GLU 87 2.009 -19.051 -29.676 672 HG2 GLU 87 2HG GLU 87 2.861 -19.333 -27.599 673 HG3 GLU 87 3HG GLU 87 1.795 -17.967 -27.276 674 H GLY 88 H GLY 88 0.170 -16.381 -27.411 675 HA2 GLY 88 2HA GLY 88 -2.212 -16.108 -26.314 676 HA3 GLY 88 3HA GLY 88 -1.824 -17.725 -25.745 677 H ASN 89 H ASN 89 1.106 -16.620 -25.782 678 HA ASN 89 HA ASN 89 1.038 -15.815 -22.993 679 HB2 ASN 89 2HB ASN 89 3.363 -16.256 -22.945 680 HB3 ASN 89 3HB ASN 89 2.678 -17.508 -23.975 681 HD21 ASN 89 1HD2 ASN 89 3.363 -17.694 -26.021 682 HD22 ASN 89 2HD2 ASN 89 4.504 -16.638 -26.774 683 H TRP 90 H TRP 90 1.333 -13.806 -22.253 684 HA TRP 90 HA TRP 90 1.712 -11.671 -24.207 685 HB2 TRP 90 2HB TRP 90 0.988 -11.493 -21.274 686 HB3 TRP 90 3HB TRP 90 0.961 -10.168 -22.434 687 HD1 TRP 90 HD1 TRP 90 -0.840 -13.538 -21.795 688 HE1 TRP 90 HE1 TRP 90 -3.232 -13.349 -22.726 689 HE3 TRP 90 HE3 TRP 90 -0.526 -8.890 -23.902 690 HZ2 TRP 90 HZ2 TRP 90 -4.781 -11.478 -24.163 691 HZ3 TRP 90 HZ3 TRP 90 -2.508 -7.974 -25.037 692 HH2 TRP 90 HH2 TRP 90 -4.590 -9.242 -25.164 693 H LEU 91 H LEU 91 3.107 -9.816 -23.605 694 HA LEU 91 HA LEU 91 5.326 -10.446 -21.826 695 HB2 LEU 91 2HB LEU 91 5.530 -10.151 -24.790 696 HB3 LEU 91 3HB LEU 91 6.856 -9.599 -23.769 697 HG LEU 91 HG LEU 91 5.779 -12.415 -23.763 698 HD11 LEU 91 1HD1 LEU 91 8.282 -11.395 -25.090 699 HD12 LEU 91 2HD1 LEU 91 6.781 -11.749 -25.944 700 HD13 LEU 91 3HD1 LEU 91 7.648 -13.041 -25.114 701 HD21 LEU 91 3HD2 LEU 91 8.149 -12.730 -22.755 702 HD22 LEU 91 1HD2 LEU 91 6.845 -12.129 -21.731 703 HD23 LEU 91 2HD2 LEU 91 8.034 -11.007 -22.393 704 H GLU 92 H GLU 92 6.822 -8.558 -21.595 705 HA GLU 92 HA GLU 92 5.281 -6.183 -21.179 706 HB2 GLU 92 2HB GLU 92 7.214 -5.292 -20.123 707 HB3 GLU 92 3HB GLU 92 7.155 -6.996 -19.696 708 HG2 GLU 92 2HG GLU 92 8.724 -7.271 -21.762 709 HG3 GLU 92 3HG GLU 92 9.041 -5.558 -21.496 710 H ARG 93 H ARG 93 5.458 -4.195 -22.187 711 HA ARG 93 HA ARG 93 7.145 -4.031 -24.579 712 HB2 ARG 93 2HB ARG 93 4.600 -4.685 -24.937 713 HB3 ARG 93 3HB ARG 93 4.369 -2.951 -24.749 714 HG2 ARG 93 2HG ARG 93 6.269 -2.803 -26.537 715 HG3 ARG 93 3HG ARG 93 5.770 -4.456 -26.903 716 HD2 ARG 93 2HD ARG 93 3.406 -3.556 -27.059 717 HD3 ARG 93 3HD ARG 93 4.119 -1.944 -27.023 718 HE ARG 93 HE ARG 93 4.144 -3.810 -29.219 719 HH11 ARG 93 1HH1 ARG 93 5.659 -1.022 -27.786 720 HH12 ARG 93 2HH1 ARG 93 6.335 -0.460 -29.279 721 HH21 ARG 93 1HH2 ARG 93 5.028 -3.080 -31.191 722 HH22 ARG 93 2HH2 ARG 93 5.975 -1.631 -31.215 723 HA PRO 94 HA PRO 94 7.652 -0.224 -22.104 724 HB2 PRO 94 2HB PRO 94 10.214 0.195 -22.900 725 HB3 PRO 94 3HB PRO 94 9.785 -0.898 -21.579 726 HG2 PRO 94 2HG PRO 94 10.427 -1.537 -24.432 727 HG3 PRO 94 3HG PRO 94 10.952 -2.365 -22.954 728 HD2 PRO 94 2HD PRO 94 8.933 -3.290 -24.503 729 HD3 PRO 94 3HD PRO 94 8.967 -3.516 -22.742 730 H ARG 95 H ARG 95 6.200 0.960 -23.404 731 HA ARG 95 HA ARG 95 7.254 2.024 -25.926 732 HB2 ARG 95 2HB ARG 95 4.742 1.080 -25.249 733 HB3 ARG 95 3HB ARG 95 4.543 2.826 -25.199 734 HG2 ARG 95 2HG ARG 95 5.916 1.636 -27.549 735 HG3 ARG 95 3HG ARG 95 4.166 1.454 -27.412 736 HD2 ARG 95 2HD ARG 95 4.065 3.953 -27.048 737 HD3 ARG 95 3HD ARG 95 5.763 4.002 -27.520 738 HE ARG 95 HE ARG 95 3.490 3.616 -29.245 739 HH11 ARG 95 1HH1 ARG 95 6.919 3.156 -28.855 740 HH12 ARG 95 2HH1 ARG 95 7.233 3.076 -30.557 741 HH21 ARG 95 1HH2 ARG 95 3.891 3.513 -31.488 742 HH22 ARG 95 2HH2 ARG 95 5.511 3.280 -32.054 743 H SER 96 H SER 96 7.508 4.203 -26.288 744 HA SER 96 HA SER 96 7.260 5.936 -23.916 745 HB2 SER 96 2HB SER 96 9.152 7.024 -25.749 746 HB3 SER 96 3HB SER 96 9.436 6.420 -24.116 747 HG SER 96 HG SER 96 10.573 5.393 -26.013 748 H LEU 97 H LEU 97 5.871 7.553 -24.121 749 HA LEU 97 HA LEU 97 4.893 8.266 -26.778 750 HB2 LEU 97 2HB LEU 97 3.828 9.402 -24.228 751 HB3 LEU 97 3HB LEU 97 2.996 9.122 -25.756 752 HG LEU 97 HG LEU 97 3.773 7.053 -23.704 753 HD11 LEU 97 1HD1 LEU 97 1.003 7.254 -24.592 754 HD12 LEU 97 2HD1 LEU 97 1.589 8.705 -23.779 755 HD13 LEU 97 3HD1 LEU 97 1.670 7.144 -22.962 756 HD21 LEU 97 3HD2 LEU 97 2.691 6.777 -26.492 757 HD22 LEU 97 1HD2 LEU 97 2.450 5.536 -25.263 758 HD23 LEU 97 2HD2 LEU 97 4.083 5.973 -25.765 759 H THR 98 H THR 98 6.163 9.728 -27.749 760 HA THR 98 HA THR 98 7.478 11.825 -26.261 761 HB THR 98 HB THR 98 8.312 12.565 -28.486 762 HG1 THR 98 HG1 THR 98 7.853 11.033 -30.240 763 HG21 THR 98 3HG2 THR 98 8.684 9.595 -28.149 764 HG22 THR 98 1HG2 THR 98 9.421 10.777 -27.069 765 HG23 THR 98 2HG2 THR 98 9.834 10.772 -28.783 766 H LEU 99 H LEU 99 7.151 14.062 -26.545 767 HA LEU 99 HA LEU 99 4.554 14.973 -26.480 768 HB2 LEU 99 2HB LEU 99 6.925 16.108 -26.032 769 HB3 LEU 99 3HB LEU 99 6.590 16.803 -27.617 770 HG LEU 99 HG LEU 99 5.929 18.312 -25.819 771 HD11 LEU 99 1HD1 LEU 99 4.004 18.999 -26.823 772 HD12 LEU 99 2HD1 LEU 99 3.325 17.374 -26.892 773 HD13 LEU 99 3HD1 LEU 99 4.570 17.857 -28.043 774 HD21 LEU 99 3HD2 LEU 99 4.318 17.788 -24.192 775 HD22 LEU 99 1HD2 LEU 99 5.409 16.403 -24.219 776 HD23 LEU 99 2HD2 LEU 99 3.841 16.305 -25.019 777 H LYS 100 H LYS 100 3.061 15.626 -27.932 778 HA LYS 100 HA LYS 100 2.008 15.980 -29.919 779 HB2 LYS 100 2HB LYS 100 4.203 17.434 -30.186 780 HB3 LYS 100 3HB LYS 100 4.598 16.214 -31.390 781 HG2 LYS 100 2HG LYS 100 2.668 16.739 -32.674 782 HG3 LYS 100 3HG LYS 100 2.024 17.770 -31.394 783 HD2 LYS 100 2HD LYS 100 3.474 19.485 -31.860 784 HD3 LYS 100 3HD LYS 100 4.710 18.406 -32.511 785 HE2 LYS 100 2HE LYS 100 2.111 18.688 -33.949 786 HE3 LYS 100 3HE LYS 100 3.318 19.965 -34.095 787 HZ1 LYS 100 3HZ LYS 100 4.810 18.548 -35.122 788 HZ2 LYS 100 1HZ LYS 100 3.334 18.056 -35.786 789 HZ3 LYS 100 2HZ LYS 100 4.053 17.146 -34.554 790 H GLU 101 H GLU 101 1.034 14.376 -30.953 791 HA GLU 101 HA GLU 101 1.977 11.799 -31.209 792 HB2 GLU 101 2HB GLU 101 -0.391 12.455 -31.461 793 HB3 GLU 101 3HB GLU 101 -0.015 13.175 -33.020 794 HG2 GLU 101 2HG GLU 101 0.821 10.852 -33.682 795 HG3 GLU 101 3HG GLU 101 -0.033 10.282 -32.249 796 H ARG 102 H ARG 102 3.065 10.639 -32.736 797 HA ARG 102 HA ARG 102 4.108 12.130 -35.053 798 HB2 ARG 102 2HB ARG 102 5.846 11.848 -33.323 799 HB3 ARG 102 3HB ARG 102 5.610 10.106 -33.382 800 HG2 ARG 102 2HG ARG 102 7.558 10.660 -34.648 801 HG3 ARG 102 3HG ARG 102 6.293 10.147 -35.766 802 HD2 ARG 102 2HD ARG 102 5.850 12.382 -36.426 803 HD3 ARG 102 3HD ARG 102 6.825 13.035 -35.110 804 HE ARG 102 HE ARG 102 8.545 11.507 -36.615 805 HH11 ARG 102 1HH1 ARG 102 6.479 14.255 -37.164 806 HH12 ARG 102 2HH1 ARG 102 7.482 14.925 -38.409 807 HH21 ARG 102 1HH2 ARG 102 9.872 12.378 -38.252 808 HH22 ARG 102 2HH2 ARG 102 9.411 13.855 -39.028 809 H SER 103 H SER 103 3.204 9.000 -33.706 810 HA SER 103 HA SER 103 2.676 8.055 -36.436 811 HB2 SER 103 2HB SER 103 4.247 6.633 -34.293 812 HB3 SER 103 3HB SER 103 3.455 5.750 -35.597 813 HG SER 103 HG SER 103 4.704 6.888 -37.078 814 H LEU 104 H LEU 104 1.397 5.886 -36.276 815 HA LEU 104 HA LEU 104 -0.201 5.345 -34.030 816 HB2 LEU 104 2HB LEU 104 -0.993 7.678 -35.023 817 HB3 LEU 104 3HB LEU 104 -1.896 6.622 -36.107 818 HG LEU 104 HG LEU 104 -2.922 5.559 -34.089 819 HD11 LEU 104 1HD1 LEU 104 -1.259 7.644 -32.751 820 HD12 LEU 104 2HD1 LEU 104 -1.541 5.964 -32.294 821 HD13 LEU 104 3HD1 LEU 104 -2.804 7.169 -32.045 822 HD21 LEU 104 3HD2 LEU 104 -4.102 7.913 -33.490 823 HD22 LEU 104 1HD2 LEU 104 -4.469 6.961 -34.929 824 HD23 LEU 104 2HD2 LEU 104 -3.343 8.315 -35.031 825 H GLU 105 H GLU 105 -2.042 3.871 -34.571 826 HA GLU 105 HA GLU 105 -2.821 1.978 -35.562 827 HB2 GLU 105 2HB GLU 105 -1.845 3.209 -38.143 828 HB3 GLU 105 3HB GLU 105 -3.075 1.967 -37.963 829 HG2 GLU 105 2HG GLU 105 -4.222 3.832 -36.481 830 HG3 GLU 105 3HG GLU 105 -3.242 4.888 -37.496 831 H HIS 106 H HIS 106 -0.409 1.646 -34.408 832 HA HIS 106 HA HIS 106 1.124 0.030 -36.335 833 HB2 HIS 106 2HB HIS 106 3.085 0.394 -35.015 834 HB3 HIS 106 3HB HIS 106 2.322 1.964 -35.250 835 HD1 HIS 106 HD1 HIS 106 1.031 2.954 -33.153 836 HD2 HIS 106 HD2 HIS 106 3.383 -0.387 -32.397 837 HE1 HIS 106 HE1 HIS 106 1.307 2.877 -30.655 838 H HIS 107 H HIS 107 -1.283 -0.739 -34.787 839 HA HIS 107 HA HIS 107 -0.188 -3.190 -33.658 840 HB2 HIS 107 2HB HIS 107 -1.669 -1.115 -32.106 841 HB3 HIS 107 3HB HIS 107 -1.983 -2.809 -31.742 842 HD1 HIS 107 HD1 HIS 107 -0.391 -0.516 -30.019 843 HD2 HIS 107 HD2 HIS 107 1.171 -3.834 -31.972 844 HE1 HIS 107 HE1 HIS 107 1.793 -1.004 -28.872 845 H HIS 108 H HIS 108 -2.228 -4.554 -32.842 846 HA HIS 108 HA HIS 108 -4.491 -4.201 -34.653 847 HB2 HIS 108 2HB HIS 108 -2.606 -5.725 -35.635 848 HB3 HIS 108 3HB HIS 108 -3.227 -6.917 -34.497 849 HD1 HIS 108 HD1 HIS 108 -4.549 -4.715 -37.302 850 HD2 HIS 108 HD2 HIS 108 -5.290 -8.372 -35.475 851 HE1 HIS 108 HE1 HIS 108 -6.381 -5.783 -38.655 852 H HIS 109 H HIS 109 -6.236 -5.841 -34.175 853 HA HIS 109 HA HIS 109 -6.528 -6.031 -31.284 854 HB2 HIS 109 2HB HIS 109 -8.557 -6.699 -33.423 855 HB3 HIS 109 3HB HIS 109 -8.868 -6.440 -31.709 856 HD1 HIS 109 HD1 HIS 109 -9.975 -4.803 -34.308 857 HD2 HIS 109 HD2 HIS 109 -7.180 -3.565 -31.493 858 HE1 HIS 109 HE1 HIS 109 -10.015 -2.289 -34.380 859 H HIS 110 H HIS 110 -6.936 -7.931 -30.164 860 HA HIS 110 HA HIS 110 -6.906 -10.463 -31.588 861 HB2 HIS 110 2HB HIS 110 -4.759 -9.700 -29.600 862 HB3 HIS 110 3HB HIS 110 -5.036 -11.339 -30.181 863 HD1 HIS 110 HD1 HIS 110 -4.311 -11.879 -32.601 864 HD2 HIS 110 HD2 HIS 110 -3.497 -7.982 -31.415 865 HE1 HIS 110 HE1 HIS 110 -2.754 -10.957 -34.347 866 H HIS 111 H HIS 111 -8.521 -11.579 -30.733 867 HA HIS 111 HA HIS 111 -9.894 -10.970 -28.410 868 HB2 HIS 111 2HB HIS 111 -10.870 -13.236 -28.580 869 HB3 HIS 111 3HB HIS 111 -10.841 -12.405 -30.133 870 HD1 HIS 111 HD1 HIS 111 -9.615 -15.419 -28.400 871 HD2 HIS 111 HD2 HIS 111 -8.892 -13.423 -31.972 872 HE1 HIS 111 HE1 HIS 111 -8.349 -17.049 -29.838 Start of MODEL 6 1 H1 ASP 1 H ASP 1 7.128 6.495 -5.078 2 HA ASP 1 HA ASP 1 5.033 4.838 -5.660 3 HB2 ASP 1 2HB ASP 1 7.758 4.112 -4.572 4 HB3 ASP 1 3HB ASP 1 6.623 2.935 -5.227 5 H LEU 2 H LEU 2 4.048 3.051 -4.572 6 HA LEU 2 HA LEU 2 3.914 3.416 -1.651 7 HB2 LEU 2 2HB LEU 2 1.877 3.882 -3.250 8 HB3 LEU 2 3HB LEU 2 1.707 2.129 -3.185 9 HG LEU 2 HG LEU 2 0.232 3.234 -1.587 10 HD11 LEU 2 1HD1 LEU 2 2.289 2.002 0.159 11 HD12 LEU 2 2HD1 LEU 2 1.624 1.025 -1.150 12 HD13 LEU 2 3HD1 LEU 2 0.552 1.710 0.071 13 HD21 LEU 2 3HD2 LEU 2 2.100 4.063 0.386 14 HD22 LEU 2 1HD2 LEU 2 0.882 5.024 -0.454 15 HD23 LEU 2 2HD2 LEU 2 2.503 4.869 -1.131 16 H THR 3 H THR 3 3.881 1.077 -4.291 17 HA THR 3 HA THR 3 4.954 -0.935 -2.466 18 HB THR 3 HB THR 3 2.580 -1.423 -2.439 19 HG1 THR 3 HG1 THR 3 3.166 -3.446 -2.538 20 HG21 THR 3 3HG2 THR 3 1.252 -1.100 -4.199 21 HG22 THR 3 1HG2 THR 3 2.187 -2.241 -5.164 22 HG23 THR 3 2HG2 THR 3 2.655 -0.541 -5.109 23 H VAL 4 H VAL 4 6.269 -2.461 -3.443 24 HA VAL 4 HA VAL 4 6.744 -2.101 -6.329 25 HB VAL 4 HB VAL 4 8.862 -2.655 -4.248 26 HG11 VAL 4 1HG1 VAL 4 8.846 -3.183 -6.981 27 HG12 VAL 4 2HG1 VAL 4 9.776 -1.693 -6.812 28 HG13 VAL 4 3HG1 VAL 4 10.251 -3.137 -5.917 29 HG21 VAL 4 3HG2 VAL 4 9.645 -0.382 -4.688 30 HG22 VAL 4 1HG2 VAL 4 8.286 -0.121 -5.782 31 HG23 VAL 4 2HG2 VAL 4 7.997 -0.375 -4.061 32 H ARG 5 H ARG 5 5.994 -3.890 -7.272 33 HA ARG 5 HA ARG 5 5.964 -6.437 -5.954 34 HB2 ARG 5 2HB ARG 5 5.072 -5.369 -8.584 35 HB3 ARG 5 3HB ARG 5 5.358 -7.100 -8.468 36 HG2 ARG 5 2HG ARG 5 3.588 -7.445 -7.087 37 HG3 ARG 5 3HG ARG 5 3.706 -5.843 -6.355 38 HD2 ARG 5 2HD ARG 5 2.277 -4.952 -7.827 39 HD3 ARG 5 3HD ARG 5 3.055 -5.753 -9.191 40 HE ARG 5 HE ARG 5 0.678 -6.568 -7.883 41 HH11 ARG 5 1HH1 ARG 5 3.554 -7.818 -9.395 42 HH12 ARG 5 2HH1 ARG 5 2.817 -9.316 -9.857 43 HH21 ARG 5 1HH2 ARG 5 -0.304 -8.537 -8.486 44 HH22 ARG 5 2HH2 ARG 5 0.622 -9.724 -9.341 45 H GLN 6 H GLN 6 6.759 -8.390 -7.357 46 HA GLN 6 HA GLN 6 9.607 -7.917 -7.843 47 HB2 GLN 6 2HB GLN 6 9.854 -10.348 -7.621 48 HB3 GLN 6 3HB GLN 6 9.053 -9.653 -6.218 49 HG2 GLN 6 2HG GLN 6 7.007 -10.577 -6.761 50 HG3 GLN 6 3HG GLN 6 7.435 -10.780 -8.459 51 HE21 GLN 6 1HE2 GLN 6 7.178 -12.902 -8.756 52 HE22 GLN 6 2HE2 GLN 6 7.990 -14.135 -7.859 53 H LYS 7 H LYS 7 10.614 -9.300 -9.586 54 HA LYS 7 HA LYS 7 8.859 -9.358 -11.954 55 HB2 LYS 7 2HB LYS 7 11.797 -8.662 -11.805 56 HB3 LYS 7 3HB LYS 7 10.879 -8.824 -13.296 57 HG2 LYS 7 2HG LYS 7 9.577 -6.919 -12.820 58 HG3 LYS 7 3HG LYS 7 10.123 -6.872 -11.142 59 HD2 LYS 7 2HD LYS 7 12.146 -6.653 -13.321 60 HD3 LYS 7 3HD LYS 7 11.141 -5.251 -12.949 61 HE2 LYS 7 2HE LYS 7 12.955 -4.913 -11.565 62 HE3 LYS 7 3HE LYS 7 11.834 -5.747 -10.491 63 HZ1 LYS 7 3HZ LYS 7 13.729 -7.357 -12.039 64 HZ2 LYS 7 1HZ LYS 7 13.080 -7.638 -10.503 65 HZ3 LYS 7 2HZ LYS 7 14.316 -6.501 -10.703 66 H GLY 8 H GLY 8 8.732 -11.224 -13.045 67 HA2 GLY 8 2HA GLY 8 10.825 -13.251 -12.588 68 HA3 GLY 8 3HA GLY 8 9.128 -13.673 -12.409 69 H ASN 9 H ASN 9 9.365 -15.264 -14.042 70 HA ASN 9 HA ASN 9 9.530 -14.142 -16.762 71 HB2 ASN 9 2HB ASN 9 10.360 -16.359 -17.498 72 HB3 ASN 9 3HB ASN 9 11.440 -15.587 -16.341 73 HD21 ASN 9 1HD2 ASN 9 11.972 -16.650 -14.546 74 HD22 ASN 9 2HD2 ASN 9 11.280 -18.148 -14.036 75 H LYS 10 H LYS 10 7.193 -14.483 -14.993 76 HA LYS 10 HA LYS 10 5.400 -15.561 -16.913 77 HB2 LYS 10 2HB LYS 10 4.521 -17.435 -15.604 78 HB3 LYS 10 3HB LYS 10 6.213 -17.688 -16.014 79 HG2 LYS 10 2HG LYS 10 6.274 -18.300 -13.833 80 HG3 LYS 10 3HG LYS 10 6.572 -16.571 -13.640 81 HD2 LYS 10 2HD LYS 10 4.409 -16.154 -12.900 82 HD3 LYS 10 3HD LYS 10 3.774 -17.640 -13.611 83 HE2 LYS 10 2HE LYS 10 3.828 -18.019 -11.286 84 HE3 LYS 10 3HE LYS 10 5.216 -18.887 -11.940 85 HZ1 LYS 10 3HZ LYS 10 5.264 -16.245 -10.587 86 HZ2 LYS 10 1HZ LYS 10 6.607 -16.976 -11.310 87 HZ3 LYS 10 2HZ LYS 10 5.864 -17.703 -9.975 88 H VAL 11 H VAL 11 3.112 -15.775 -15.854 89 HA VAL 11 HA VAL 11 2.516 -14.388 -13.484 90 HB VAL 11 HB VAL 11 3.215 -12.361 -14.474 91 HG11 VAL 11 1HG1 VAL 11 3.477 -12.391 -16.695 92 HG12 VAL 11 2HG1 VAL 11 2.200 -13.587 -16.920 93 HG13 VAL 11 3HG1 VAL 11 1.792 -11.878 -16.769 94 HG21 VAL 11 3HG2 VAL 11 0.907 -12.443 -13.394 95 HG22 VAL 11 1HG2 VAL 11 1.267 -11.048 -14.411 96 HG23 VAL 11 2HG2 VAL 11 0.261 -12.357 -15.032 97 H ILE 12 H ILE 12 0.305 -14.369 -13.023 98 HA ILE 12 HA ILE 12 -1.246 -16.360 -14.212 99 HB ILE 12 HB ILE 12 -2.223 -14.005 -12.592 100 HG12 ILE 12 2HG1 ILE 12 -1.503 -16.794 -11.670 101 HG13 ILE 12 3HG1 ILE 12 -0.446 -15.396 -11.504 102 HG21 ILE 12 1HG2 ILE 12 -3.499 -16.642 -13.288 103 HG22 ILE 12 2HG2 ILE 12 -4.087 -15.576 -12.014 104 HG23 ILE 12 3HG2 ILE 12 -4.076 -15.025 -13.689 105 HD11 ILE 12 3HD1 ILE 12 -2.167 -14.307 -10.117 106 HD12 ILE 12 1HD1 ILE 12 -3.141 -15.773 -10.224 107 HD13 ILE 12 2HD1 ILE 12 -1.569 -15.815 -9.426 108 H LYS 13 H LYS 13 -2.934 -16.348 -15.662 109 HA LYS 13 HA LYS 13 -2.852 -14.363 -17.702 110 HB2 LYS 13 2HB LYS 13 -4.801 -16.627 -17.234 111 HB3 LYS 13 3HB LYS 13 -4.730 -15.650 -18.695 112 HG2 LYS 13 2HG LYS 13 -2.636 -16.522 -19.306 113 HG3 LYS 13 3HG LYS 13 -2.366 -17.209 -17.702 114 HD2 LYS 13 2HD LYS 13 -4.634 -18.091 -19.470 115 HD3 LYS 13 3HD LYS 13 -3.031 -18.826 -19.554 116 HE2 LYS 13 2HE LYS 13 -3.183 -19.682 -17.387 117 HE3 LYS 13 3HE LYS 13 -4.491 -18.586 -16.946 118 HZ1 LYS 13 3HZ LYS 13 -4.650 -20.934 -18.751 119 HZ2 LYS 13 1HZ LYS 13 -5.896 -19.803 -18.577 120 HZ3 LYS 13 2HZ LYS 13 -5.411 -20.737 -17.253 121 HA PRO 14 HA PRO 14 -5.893 -11.488 -16.379 122 HB2 PRO 14 2HB PRO 14 -7.011 -10.768 -18.746 123 HB3 PRO 14 3HB PRO 14 -5.388 -10.266 -18.258 124 HG2 PRO 14 2HG PRO 14 -6.214 -12.489 -20.085 125 HG3 PRO 14 3HG PRO 14 -4.899 -11.315 -20.275 126 HD2 PRO 14 2HD PRO 14 -4.478 -13.848 -19.416 127 HD3 PRO 14 3HD PRO 14 -3.489 -12.479 -18.871 128 H ASP 15 H ASP 15 -8.024 -11.359 -15.794 129 HA ASP 15 HA ASP 15 -9.834 -13.421 -16.869 130 HB2 ASP 15 2HB ASP 15 -9.255 -12.652 -14.035 131 HB3 ASP 15 3HB ASP 15 -10.868 -13.221 -14.456 132 H GLU 16 H GLU 16 -12.193 -12.874 -16.226 133 HA GLU 16 HA GLU 16 -12.654 -10.107 -17.056 134 HB2 GLU 16 2HB GLU 16 -14.981 -10.884 -17.490 135 HB3 GLU 16 3HB GLU 16 -13.764 -11.755 -18.412 136 HG2 GLU 16 2HG GLU 16 -13.892 -13.620 -16.867 137 HG3 GLU 16 3HG GLU 16 -15.064 -12.744 -15.884 138 H THR 17 H THR 17 -11.908 -10.906 -14.299 139 HA THR 17 HA THR 17 -14.316 -9.972 -12.878 140 HB THR 17 HB THR 17 -13.606 -12.202 -12.151 141 HG1 THR 17 HG1 THR 17 -14.495 -10.896 -10.548 142 HG21 THR 17 3HG2 THR 17 -11.478 -12.783 -11.764 143 HG22 THR 17 1HG2 THR 17 -11.180 -11.351 -10.781 144 HG23 THR 17 2HG2 THR 17 -11.039 -11.261 -12.537 145 H ARG 18 H ARG 18 -10.973 -9.384 -13.558 146 HA ARG 18 HA ARG 18 -10.350 -7.636 -11.448 147 HB2 ARG 18 2HB ARG 18 -9.288 -7.823 -14.268 148 HB3 ARG 18 3HB ARG 18 -8.618 -6.739 -13.056 149 HG2 ARG 18 2HG ARG 18 -8.846 -9.688 -12.572 150 HG3 ARG 18 3HG ARG 18 -7.465 -8.983 -13.415 151 HD2 ARG 18 2HD ARG 18 -6.685 -8.979 -11.260 152 HD3 ARG 18 3HD ARG 18 -7.423 -7.379 -11.338 153 HE ARG 18 HE ARG 18 -9.371 -9.147 -10.440 154 HH11 ARG 18 1HH1 ARG 18 -6.300 -7.896 -9.380 155 HH12 ARG 18 2HH1 ARG 18 -6.675 -8.039 -7.695 156 HH21 ARG 18 1HH2 ARG 18 -9.877 -9.341 -8.224 157 HH22 ARG 18 2HH2 ARG 18 -8.710 -8.862 -7.038 158 H VAL 19 H VAL 19 -9.605 -5.245 -12.278 159 HA VAL 19 HA VAL 19 -12.114 -3.885 -12.717 160 HB VAL 19 HB VAL 19 -9.371 -2.653 -12.453 161 HG11 VAL 19 1HG1 VAL 19 -10.956 -0.823 -11.427 162 HG12 VAL 19 2HG1 VAL 19 -10.709 -0.935 -13.171 163 HG13 VAL 19 3HG1 VAL 19 -12.163 -1.616 -12.439 164 HG21 VAL 19 3HG2 VAL 19 -10.266 -2.281 -10.035 165 HG22 VAL 19 1HG2 VAL 19 -11.280 -3.677 -10.396 166 HG23 VAL 19 2HG2 VAL 19 -9.524 -3.822 -10.466 167 H LYS 20 H LYS 20 -12.721 -2.711 -14.480 168 HA LYS 20 HA LYS 20 -10.893 -2.697 -16.788 169 HB2 LYS 20 2HB LYS 20 -13.004 -2.957 -18.200 170 HB3 LYS 20 3HB LYS 20 -12.438 -4.386 -17.344 171 HG2 LYS 20 2HG LYS 20 -14.431 -2.676 -15.972 172 HG3 LYS 20 3HG LYS 20 -14.981 -3.640 -17.345 173 HD2 LYS 20 2HD LYS 20 -13.309 -4.967 -15.272 174 HD3 LYS 20 3HD LYS 20 -14.990 -4.600 -14.879 175 HE2 LYS 20 2HE LYS 20 -15.805 -5.959 -16.607 176 HE3 LYS 20 3HE LYS 20 -14.241 -6.013 -17.420 177 HZ1 LYS 20 3HZ LYS 20 -14.885 -7.293 -14.817 178 HZ2 LYS 20 1HZ LYS 20 -13.380 -7.339 -15.589 179 HZ3 LYS 20 2HZ LYS 20 -14.718 -8.093 -16.298 180 H GLN 21 H GLN 21 -10.429 -0.517 -15.971 181 HA GLN 21 HA GLN 21 -12.370 1.509 -15.814 182 HB2 GLN 21 2HB GLN 21 -9.396 1.531 -16.243 183 HB3 GLN 21 3HB GLN 21 -10.324 3.024 -16.264 184 HG2 GLN 21 2HG GLN 21 -10.754 2.958 -14.032 185 HG3 GLN 21 3HG GLN 21 -10.699 1.197 -13.960 186 HE21 GLN 21 1HE2 GLN 21 -8.421 3.704 -15.022 187 HE22 GLN 21 2HE2 GLN 21 -7.108 3.169 -14.036 188 H PHE 22 H PHE 22 -11.884 3.570 -17.354 189 HA PHE 22 HA PHE 22 -13.021 2.860 -19.856 190 HB2 PHE 22 2HB PHE 22 -13.600 4.985 -18.937 191 HB3 PHE 22 3HB PHE 22 -11.910 5.453 -18.784 192 HD1 PHE 22 HD1 PHE 22 -13.807 3.989 -21.636 193 HD2 PHE 22 HD2 PHE 22 -11.574 7.287 -20.135 194 HE1 PHE 22 HE1 PHE 22 -13.910 5.061 -23.848 195 HE2 PHE 22 HE2 PHE 22 -11.674 8.365 -22.345 196 HZ PHE 22 HZ PHE 22 -12.844 7.252 -24.205 197 H LEU 23 H LEU 23 -9.791 3.929 -18.871 198 HA LEU 23 HA LEU 23 -8.780 3.723 -21.577 199 HB2 LEU 23 2HB LEU 23 -7.279 4.203 -19.008 200 HB3 LEU 23 3HB LEU 23 -6.668 4.444 -20.644 201 HG LEU 23 HG LEU 23 -7.125 6.600 -19.971 202 HD11 LEU 23 1HD1 LEU 23 -9.739 5.711 -21.178 203 HD12 LEU 23 2HD1 LEU 23 -8.271 6.075 -22.083 204 HD13 LEU 23 3HD1 LEU 23 -9.084 7.349 -21.174 205 HD21 LEU 23 3HD2 LEU 23 -8.347 7.086 -18.180 206 HD22 LEU 23 1HD2 LEU 23 -8.731 5.369 -18.045 207 HD23 LEU 23 2HD2 LEU 23 -9.807 6.446 -18.936 208 H GLU 24 H GLU 24 -9.284 1.626 -18.991 209 HA GLU 24 HA GLU 24 -7.053 -0.130 -19.592 210 HB2 GLU 24 2HB GLU 24 -9.176 -0.006 -17.519 211 HB3 GLU 24 3HB GLU 24 -8.541 -1.597 -17.913 212 HG2 GLU 24 2HG GLU 24 -6.334 -0.957 -17.304 213 HG3 GLU 24 3HG GLU 24 -6.805 0.735 -17.154 214 H GLY 25 H GLY 25 -9.678 0.520 -21.266 215 HA2 GLY 25 2HA GLY 25 -10.425 -2.271 -21.821 216 HA3 GLY 25 3HA GLY 25 -11.357 -0.854 -22.281 217 H PHE 26 H PHE 26 -8.513 0.239 -23.056 218 HA PHE 26 HA PHE 26 -8.564 -0.950 -25.748 219 HB2 PHE 26 2HB PHE 26 -7.409 1.744 -25.042 220 HB3 PHE 26 3HB PHE 26 -7.836 1.130 -26.636 221 HD1 PHE 26 HD2 PHE 26 -10.284 0.740 -27.151 222 HD2 PHE 26 HD1 PHE 26 -8.946 2.948 -23.767 223 HE1 PHE 26 HE2 PHE 26 -12.504 1.784 -26.958 224 HE2 PHE 26 HE1 PHE 26 -11.164 3.994 -23.568 225 HZ PHE 26 HZ PHE 26 -12.946 3.413 -25.165 226 H ASN 27 H ASN 27 -6.438 -0.907 -26.900 227 HA ASN 27 HA ASN 27 -4.490 -2.281 -25.365 228 HB2 ASN 27 2HB ASN 27 -4.703 -1.335 -28.188 229 HB3 ASN 27 3HB ASN 27 -3.112 -1.785 -27.581 230 HD21 ASN 27 1HD2 ASN 27 -4.005 -3.215 -29.604 231 HD22 ASN 27 2HD2 ASN 27 -4.531 -4.782 -29.101 232 H ILE 28 H ILE 28 -2.163 -1.640 -25.310 233 HA ILE 28 HA ILE 28 -1.931 0.977 -24.145 234 HB ILE 28 HB ILE 28 -0.731 -0.983 -23.221 235 HG12 ILE 28 2HG1 ILE 28 1.437 0.169 -22.883 236 HG13 ILE 28 3HG1 ILE 28 1.036 1.275 -24.193 237 HG21 ILE 28 1HG2 ILE 28 -0.170 -1.765 -25.652 238 HG22 ILE 28 2HG2 ILE 28 1.272 -0.779 -25.420 239 HG23 ILE 28 3HG2 ILE 28 0.936 -2.119 -24.325 240 HD11 ILE 28 3HD1 ILE 28 0.608 1.809 -21.605 241 HD12 ILE 28 1HD1 ILE 28 -0.361 2.485 -22.914 242 HD13 ILE 28 2HD1 ILE 28 -0.942 1.078 -22.023 243 H GLU 29 H GLU 29 -1.308 -0.442 -27.226 244 HA GLU 29 HA GLU 29 0.563 1.561 -28.101 245 HB2 GLU 29 2HB GLU 29 0.403 0.495 -30.274 246 HB3 GLU 29 3HB GLU 29 0.577 -0.729 -29.024 247 HG2 GLU 29 2HG GLU 29 -1.736 -1.294 -29.151 248 HG3 GLU 29 3HG GLU 29 -2.063 0.070 -30.219 249 H THR 30 H THR 30 -2.890 1.089 -28.193 250 HA THR 30 HA THR 30 -3.581 2.879 -30.224 251 HB THR 30 HB THR 30 -5.790 2.997 -29.202 252 HG1 THR 30 HG1 THR 30 -6.047 2.698 -27.120 253 HG21 THR 30 3HG2 THR 30 -5.766 0.302 -28.614 254 HG22 THR 30 1HG2 THR 30 -4.370 0.496 -29.674 255 HG23 THR 30 2HG2 THR 30 -5.968 1.008 -30.217 256 H PHE 31 H PHE 31 -2.416 3.443 -27.029 257 HA PHE 31 HA PHE 31 -3.317 6.208 -26.986 258 HB2 PHE 31 2HB PHE 31 -1.533 4.785 -25.003 259 HB3 PHE 31 3HB PHE 31 -2.387 6.305 -24.761 260 HD1 PHE 31 HD2 PHE 31 -5.034 5.569 -25.923 261 HD2 PHE 31 HD1 PHE 31 -2.426 3.444 -23.315 262 HE1 PHE 31 HE2 PHE 31 -6.958 4.341 -25.004 263 HE2 PHE 31 HE1 PHE 31 -4.345 2.212 -22.393 264 HZ PHE 31 HZ PHE 31 -6.615 2.661 -23.236 265 H GLU 32 H GLU 32 -1.915 8.000 -26.920 266 HA GLU 32 HA GLU 32 0.865 7.514 -27.720 267 HB2 GLU 32 2HB GLU 32 0.700 9.303 -29.419 268 HB3 GLU 32 3HB GLU 32 -0.325 7.923 -29.790 269 HG2 GLU 32 2HG GLU 32 -2.155 9.326 -28.565 270 HG3 GLU 32 3HG GLU 32 -1.084 10.674 -28.945 271 H MET 33 H MET 33 2.251 8.670 -26.555 272 HA MET 33 HA MET 33 1.526 10.307 -24.444 273 HB2 MET 33 2HB MET 33 3.717 9.335 -24.511 274 HB3 MET 33 3HB MET 33 4.105 10.173 -26.008 275 HG2 MET 33 2HG MET 33 3.969 12.320 -24.799 276 HG3 MET 33 3HG MET 33 3.690 11.428 -23.306 277 HE1 MET 33 3HE MET 33 5.541 11.730 -21.750 278 HE2 MET 33 1HE MET 33 7.206 12.085 -22.211 279 HE3 MET 33 2HE MET 33 5.909 13.184 -22.679 280 H VAL 34 H VAL 34 1.009 12.399 -24.214 281 HA VAL 34 HA VAL 34 1.132 14.102 -26.616 282 HB VAL 34 HB VAL 34 -1.157 13.681 -25.902 283 HG11 VAL 34 1HG1 VAL 34 -0.904 13.165 -23.597 284 HG12 VAL 34 2HG1 VAL 34 -0.208 14.749 -23.251 285 HG13 VAL 34 3HG1 VAL 34 -1.911 14.609 -23.689 286 HG21 VAL 34 3HG2 VAL 34 -1.889 15.837 -26.138 287 HG22 VAL 34 1HG2 VAL 34 -0.703 16.481 -25.003 288 HG23 VAL 34 2HG2 VAL 34 -0.208 16.030 -26.635 289 H GLY 35 H GLY 35 2.103 13.752 -23.328 290 HA2 GLY 35 2HA GLY 35 4.059 15.713 -23.401 291 HA3 GLY 35 3HA GLY 35 2.622 16.489 -22.752 292 H THR 36 H THR 36 4.271 16.717 -20.939 293 HA THR 36 HA THR 36 3.722 14.616 -18.996 294 HB THR 36 HB THR 36 6.255 14.969 -18.276 295 HG1 THR 36 HG1 THR 36 6.254 15.363 -21.100 296 HG21 THR 36 3HG2 THR 36 5.478 12.784 -18.624 297 HG22 THR 36 1HG2 THR 36 6.804 12.956 -19.774 298 HG23 THR 36 2HG2 THR 36 5.134 13.081 -20.327 299 H LEU 37 H LEU 37 3.777 15.309 -16.852 300 HA LEU 37 HA LEU 37 4.084 18.218 -16.493 301 HB2 LEU 37 2HB LEU 37 1.748 17.347 -16.347 302 HB3 LEU 37 3HB LEU 37 2.249 16.390 -14.953 303 HG LEU 37 HG LEU 37 1.010 18.566 -14.496 304 HD11 LEU 37 1HD1 LEU 37 1.853 18.326 -12.460 305 HD12 LEU 37 2HD1 LEU 37 3.412 18.967 -12.976 306 HD13 LEU 37 3HD1 LEU 37 3.071 17.245 -13.137 307 HD21 LEU 37 3HD2 LEU 37 1.925 20.578 -14.950 308 HD22 LEU 37 1HD2 LEU 37 2.747 19.676 -16.223 309 HD23 LEU 37 2HD2 LEU 37 3.576 20.007 -14.702 310 H SER 38 H SER 38 5.214 18.958 -14.747 311 HA SER 38 HA SER 38 6.179 17.035 -12.768 312 HB2 SER 38 2HB SER 38 8.431 17.331 -13.176 313 HB3 SER 38 3HB SER 38 7.802 17.454 -14.819 314 HG SER 38 HG SER 38 8.890 19.273 -14.746 315 H ASN 39 H ASN 39 6.104 17.852 -10.778 316 HA ASN 39 HA ASN 39 6.694 20.581 -10.182 317 HB2 ASN 39 2HB ASN 39 4.549 21.345 -9.476 318 HB3 ASN 39 3HB ASN 39 4.335 20.692 -11.098 319 HD21 ASN 39 1HD2 ASN 39 4.003 18.128 -10.880 320 HD22 ASN 39 2HD2 ASN 39 2.692 17.711 -9.835 321 H ALA 40 H ALA 40 5.525 20.899 -7.753 322 HA ALA 40 HA ALA 40 7.110 19.431 -6.028 323 HB1 ALA 40 1HB ALA 40 4.617 21.032 -5.638 324 HB2 ALA 40 2HB ALA 40 5.318 20.139 -4.287 325 HB3 ALA 40 3HB ALA 40 6.265 21.377 -5.112 326 H GLN 41 H GLN 41 3.881 18.732 -7.224 327 HA GLN 41 HA GLN 41 3.238 16.650 -5.446 328 HB2 GLN 41 2HB GLN 41 2.193 17.726 -7.949 329 HB3 GLN 41 3HB GLN 41 1.981 15.984 -7.821 330 HG2 GLN 41 2HG GLN 41 0.807 16.243 -5.727 331 HG3 GLN 41 3HG GLN 41 1.092 17.983 -5.754 332 HE21 GLN 41 1HE2 GLN 41 -0.347 19.248 -6.729 333 HE22 GLN 41 2HE2 GLN 41 -1.667 18.698 -7.698 334 H GLY 42 H GLY 42 5.173 16.744 -8.357 335 HA2 GLY 42 2HA GLY 42 6.905 14.833 -8.136 336 HA3 GLY 42 3HA GLY 42 5.476 13.819 -8.275 337 H THR 43 H THR 43 6.478 12.900 -10.160 338 HA THR 43 HA THR 43 6.351 14.654 -12.525 339 HB THR 43 HB THR 43 7.786 12.022 -12.549 340 HG1 THR 43 HG1 THR 43 9.043 14.463 -11.816 341 HG21 THR 43 3HG2 THR 43 9.018 12.982 -14.333 342 HG22 THR 43 1HG2 THR 43 8.448 14.605 -13.951 343 HG23 THR 43 2HG2 THR 43 7.333 13.414 -14.620 344 H PHE 44 H PHE 44 4.430 14.392 -13.476 345 HA PHE 44 HA PHE 44 3.309 11.681 -13.670 346 HB2 PHE 44 2HB PHE 44 1.892 14.306 -14.157 347 HB3 PHE 44 3HB PHE 44 1.156 12.713 -14.021 348 HD1 PHE 44 HD1 PHE 44 2.877 15.386 -12.158 349 HD2 PHE 44 HD2 PHE 44 0.646 11.769 -11.912 350 HE1 PHE 44 HE1 PHE 44 2.586 15.734 -9.740 351 HE2 PHE 44 HE2 PHE 44 0.350 12.112 -9.494 352 HZ PHE 44 HZ PHE 44 1.320 14.097 -8.405 353 H ALA 45 H ALA 45 2.260 11.075 -15.688 354 HA ALA 45 HA ALA 45 3.595 12.291 -18.017 355 HB1 ALA 45 1HB ALA 45 2.811 9.438 -17.478 356 HB2 ALA 45 2HB ALA 45 3.242 10.025 -19.085 357 HB3 ALA 45 3HB ALA 45 4.422 10.093 -17.776 358 H LEU 46 H LEU 46 2.365 13.112 -19.592 359 HA LEU 46 HA LEU 46 -0.540 12.760 -19.387 360 HB2 LEU 46 2HB LEU 46 0.928 14.794 -21.045 361 HB3 LEU 46 3HB LEU 46 -0.772 14.799 -20.582 362 HG LEU 46 HG LEU 46 1.604 15.321 -18.801 363 HD11 LEU 46 1HD1 LEU 46 -0.724 17.119 -19.410 364 HD12 LEU 46 2HD1 LEU 46 0.754 17.122 -20.372 365 HD13 LEU 46 3HD1 LEU 46 0.816 17.532 -18.658 366 HD21 LEU 46 3HD2 LEU 46 0.199 14.213 -17.347 367 HD22 LEU 46 1HD2 LEU 46 -1.261 14.754 -18.175 368 HD23 LEU 46 2HD2 LEU 46 -0.349 15.881 -17.170 369 H VAL 47 H VAL 47 -1.476 11.384 -20.733 370 HA VAL 47 HA VAL 47 -0.279 10.981 -23.397 371 HB VAL 47 HB VAL 47 -0.070 9.014 -21.822 372 HG11 VAL 47 1HG1 VAL 47 -1.857 7.964 -20.931 373 HG12 VAL 47 2HG1 VAL 47 -2.630 9.536 -21.150 374 HG13 VAL 47 3HG1 VAL 47 -2.869 8.259 -22.344 375 HG21 VAL 47 3HG2 VAL 47 -0.521 7.408 -23.524 376 HG22 VAL 47 1HG2 VAL 47 -1.724 8.457 -24.277 377 HG23 VAL 47 2HG2 VAL 47 -0.016 8.894 -24.329 378 H LYS 48 H LYS 48 -1.785 10.364 -25.091 379 HA LYS 48 HA LYS 48 -4.544 11.257 -24.578 380 HB2 LYS 48 2HB LYS 48 -3.327 13.018 -25.766 381 HB3 LYS 48 3HB LYS 48 -2.853 11.869 -27.010 382 HG2 LYS 48 2HG LYS 48 -5.751 12.217 -26.472 383 HG3 LYS 48 3HG LYS 48 -4.898 13.506 -27.325 384 HD2 LYS 48 2HD LYS 48 -3.972 11.474 -28.738 385 HD3 LYS 48 3HD LYS 48 -5.456 10.705 -28.168 386 HE2 LYS 48 2HE LYS 48 -6.772 12.536 -29.086 387 HE3 LYS 48 3HE LYS 48 -5.300 13.350 -29.612 388 HZ1 LYS 48 3HZ LYS 48 -5.135 12.047 -31.402 389 HZ2 LYS 48 1HZ LYS 48 -6.762 11.671 -31.128 390 HZ3 LYS 48 2HZ LYS 48 -5.548 10.640 -30.559 391 H GLY 49 H GLY 49 -6.165 10.098 -25.537 392 HA2 GLY 49 2HA GLY 49 -6.014 8.438 -27.743 393 HA3 GLY 49 3HA GLY 49 -5.557 7.442 -26.369 394 H ALA 50 H ALA 50 -7.662 6.527 -27.586 395 HA ALA 50 HA ALA 50 -9.887 6.033 -27.465 396 HB1 ALA 50 1HB ALA 50 -9.265 6.763 -24.614 397 HB2 ALA 50 2HB ALA 50 -10.817 6.092 -25.117 398 HB3 ALA 50 3HB ALA 50 -9.339 5.156 -25.339 399 H GLY 51 H GLY 51 -9.175 8.790 -28.201 400 HA2 GLY 51 2HA GLY 51 -10.340 10.690 -28.769 401 HA3 GLY 51 3HA GLY 51 -11.791 9.900 -28.172 402 H GLY 52 H GLY 52 -8.870 10.561 -26.305 403 HA2 GLY 52 2HA GLY 52 -9.836 12.939 -25.084 404 HA3 GLY 52 3HA GLY 52 -10.182 11.545 -24.070 405 H VAL 53 H VAL 53 -8.709 13.104 -22.743 406 HA VAL 53 HA VAL 53 -5.898 12.344 -23.197 407 HB VAL 53 HB VAL 53 -5.420 14.301 -21.615 408 HG11 VAL 53 1HG1 VAL 53 -5.339 15.860 -23.416 409 HG12 VAL 53 2HG1 VAL 53 -5.057 14.256 -24.096 410 HG13 VAL 53 3HG1 VAL 53 -6.634 15.026 -24.275 411 HG21 VAL 53 3HG2 VAL 53 -8.149 15.220 -22.486 412 HG22 VAL 53 1HG2 VAL 53 -7.855 14.457 -20.924 413 HG23 VAL 53 2HG2 VAL 53 -7.058 15.978 -21.326 414 H HIS 54 H HIS 54 -4.766 11.345 -21.605 415 HA HIS 54 HA HIS 54 -6.164 10.851 -19.060 416 HB2 HIS 54 2HB HIS 54 -4.282 8.785 -20.060 417 HB3 HIS 54 3HB HIS 54 -5.776 8.600 -19.147 418 HD1 HIS 54 HD1 HIS 54 -4.617 7.432 -22.108 419 HD2 HIS 54 HD2 HIS 54 -7.941 9.761 -21.220 420 HE1 HIS 54 HE1 HIS 54 -6.204 7.100 -24.031 421 H ARG 55 H ARG 55 -4.729 10.300 -17.253 422 HA ARG 55 HA ARG 55 -1.991 11.312 -17.565 423 HB2 ARG 55 2HB ARG 55 -2.171 12.633 -15.543 424 HB3 ARG 55 3HB ARG 55 -3.417 13.131 -16.680 425 HG2 ARG 55 2HG ARG 55 -5.013 11.656 -15.427 426 HG3 ARG 55 3HG ARG 55 -3.749 11.448 -14.213 427 HD2 ARG 55 2HD ARG 55 -3.685 14.032 -14.181 428 HD3 ARG 55 3HD ARG 55 -5.260 13.923 -14.966 429 HE ARG 55 HE ARG 55 -5.325 12.277 -12.722 430 HH11 ARG 55 1HH1 ARG 55 -5.007 15.662 -13.474 431 HH12 ARG 55 2HH1 ARG 55 -5.738 16.192 -11.996 432 HH21 ARG 55 1HH2 ARG 55 -6.289 12.964 -10.772 433 HH22 ARG 55 2HH2 ARG 55 -6.466 14.657 -10.459 434 H VAL 56 H VAL 56 -0.515 10.025 -16.670 435 HA VAL 56 HA VAL 56 -1.239 8.343 -14.391 436 HB VAL 56 HB VAL 56 -0.166 6.362 -15.427 437 HG11 VAL 56 1HG1 VAL 56 -2.705 7.066 -15.564 438 HG12 VAL 56 2HG1 VAL 56 -2.355 7.119 -17.293 439 HG13 VAL 56 3HG1 VAL 56 -2.106 5.626 -16.387 440 HG21 VAL 56 3HG2 VAL 56 0.691 8.209 -17.338 441 HG22 VAL 56 1HG2 VAL 56 0.921 6.461 -17.365 442 HG23 VAL 56 2HG2 VAL 56 -0.471 7.180 -18.174 443 H ARG 57 H ARG 57 0.462 7.829 -13.045 444 HA ARG 57 HA ARG 57 3.069 9.006 -13.757 445 HB2 ARG 57 2HB ARG 57 3.315 9.318 -11.225 446 HB3 ARG 57 3HB ARG 57 2.234 10.414 -12.075 447 HG2 ARG 57 2HG ARG 57 0.428 9.688 -10.970 448 HG3 ARG 57 3HG ARG 57 0.937 8.000 -11.046 449 HD2 ARG 57 2HD ARG 57 1.925 8.079 -9.029 450 HD3 ARG 57 3HD ARG 57 2.580 9.693 -9.305 451 HE ARG 57 HE ARG 57 0.783 10.563 -8.194 452 HH11 ARG 57 1HH1 ARG 57 0.048 7.294 -9.140 453 HH12 ARG 57 2HH1 ARG 57 -1.449 7.240 -8.269 454 HH21 ARG 57 1HH2 ARG 57 -1.185 10.504 -7.043 455 HH22 ARG 57 2HH2 ARG 57 -2.149 9.067 -7.077 456 H VAL 58 H VAL 58 4.777 8.115 -12.051 457 HA VAL 58 HA VAL 58 5.337 5.501 -12.695 458 HB VAL 58 HB VAL 58 6.157 6.943 -10.170 459 HG11 VAL 58 1HG1 VAL 58 6.977 4.355 -11.393 460 HG12 VAL 58 2HG1 VAL 58 8.196 5.332 -10.573 461 HG13 VAL 58 3HG1 VAL 58 6.767 4.785 -9.696 462 HG21 VAL 58 3HG2 VAL 58 7.035 8.304 -11.778 463 HG22 VAL 58 1HG2 VAL 58 8.318 7.096 -11.697 464 HG23 VAL 58 2HG2 VAL 58 7.112 7.017 -12.982 465 H GLY 59 H GLY 59 4.312 3.669 -12.254 466 HA2 GLY 59 2HA GLY 59 3.691 2.034 -10.580 467 HA3 GLY 59 3HA GLY 59 3.093 3.355 -9.587 468 H ASP 60 H ASP 60 1.771 4.671 -11.852 469 HA ASP 60 HA ASP 60 -0.773 3.524 -11.604 470 HB2 ASP 60 2HB ASP 60 0.398 5.546 -13.497 471 HB3 ASP 60 3HB ASP 60 -1.268 5.001 -13.672 472 H TYR 61 H TYR 61 -2.125 2.874 -13.563 473 HA TYR 61 HA TYR 61 -0.575 1.135 -15.360 474 HB2 TYR 61 2HB TYR 61 -3.172 0.380 -14.005 475 HB3 TYR 61 3HB TYR 61 -2.251 -0.622 -15.121 476 HD1 TYR 61 HD1 TYR 61 -2.385 0.753 -11.721 477 HD2 TYR 61 HD2 TYR 61 -0.241 -1.760 -14.403 478 HE1 TYR 61 HE1 TYR 61 -1.123 -0.182 -9.828 479 HE2 TYR 61 HE2 TYR 61 1.026 -2.702 -12.518 480 HH TYR 61 HH TYR 61 1.273 -1.334 -9.603 481 H LEU 62 H LEU 62 -1.498 0.741 -17.404 482 HA LEU 62 HA LEU 62 -3.974 2.042 -18.135 483 HB2 LEU 62 2HB LEU 62 -2.788 3.270 -20.027 484 HB3 LEU 62 3HB LEU 62 -2.668 3.951 -18.406 485 HG LEU 62 HG LEU 62 -0.480 2.162 -19.330 486 HD11 LEU 62 1HD1 LEU 62 0.537 3.687 -20.718 487 HD12 LEU 62 2HD1 LEU 62 -0.384 5.048 -20.078 488 HD13 LEU 62 3HD1 LEU 62 -1.158 3.891 -21.160 489 HD21 LEU 62 3HD2 LEU 62 -0.948 3.701 -17.103 490 HD22 LEU 62 1HD2 LEU 62 0.131 4.714 -18.063 491 HD23 LEU 62 2HD2 LEU 62 0.621 3.079 -17.617 492 H GLY 63 H GLY 63 -4.674 1.507 -20.300 493 HA2 GLY 63 2HA GLY 63 -4.808 0.176 -22.185 494 HA3 GLY 63 3HA GLY 63 -3.153 -0.338 -21.891 495 H ARG 64 H ARG 64 -4.919 -2.176 -22.793 496 HA ARG 64 HA ARG 64 -6.082 -3.625 -20.579 497 HB2 ARG 64 2HB ARG 64 -6.018 -3.933 -23.543 498 HB3 ARG 64 3HB ARG 64 -6.336 -5.365 -22.573 499 HG2 ARG 64 2HG ARG 64 -8.220 -4.206 -21.508 500 HG3 ARG 64 3HG ARG 64 -7.913 -2.800 -22.529 501 HD2 ARG 64 2HD ARG 64 -9.724 -4.208 -23.408 502 HD3 ARG 64 3HD ARG 64 -8.357 -4.113 -24.518 503 HE ARG 64 HE ARG 64 -7.992 -6.371 -22.936 504 HH11 ARG 64 1HH1 ARG 64 -10.239 -5.190 -25.318 505 HH12 ARG 64 2HH1 ARG 64 -10.656 -6.768 -25.897 506 HH21 ARG 64 1HH2 ARG 64 -8.533 -8.455 -23.690 507 HH22 ARG 64 2HH2 ARG 64 -9.686 -8.625 -24.970 508 H ASN 65 H ASN 65 -3.024 -3.369 -21.905 509 HA ASN 65 HA ASN 65 -2.252 -6.125 -21.353 510 HB2 ASN 65 2HB ASN 65 -0.638 -3.786 -22.396 511 HB3 ASN 65 3HB ASN 65 -0.037 -5.433 -22.222 512 HD21 ASN 65 1HD2 ASN 65 -1.968 -6.984 -23.172 513 HD22 ASN 65 2HD2 ASN 65 -2.306 -6.628 -24.828 514 H ASP 66 H ASP 66 -2.986 -3.870 -19.351 515 HA ASP 66 HA ASP 66 -2.384 -3.251 -17.246 516 HB2 ASP 66 2HB ASP 66 -0.705 -5.751 -17.504 517 HB3 ASP 66 3HB ASP 66 -0.892 -4.850 -16.001 518 H GLY 67 H GLY 67 -1.121 -1.842 -19.240 519 HA2 GLY 67 2HA GLY 67 1.690 -1.750 -19.056 520 HA3 GLY 67 3HA GLY 67 0.660 -0.448 -19.633 521 H LYS 68 H LYS 68 2.521 -1.667 -17.013 522 HA LYS 68 HA LYS 68 1.584 0.395 -15.176 523 HB2 LYS 68 2HB LYS 68 1.978 -1.866 -14.303 524 HB3 LYS 68 3HB LYS 68 3.659 -1.775 -14.810 525 HG2 LYS 68 2HG LYS 68 3.790 0.292 -13.288 526 HG3 LYS 68 3HG LYS 68 2.280 -0.307 -12.596 527 HD2 LYS 68 2HD LYS 68 4.050 -1.160 -11.254 528 HD3 LYS 68 3HD LYS 68 3.443 -2.505 -12.223 529 HE2 LYS 68 2HE LYS 68 5.288 -2.277 -13.764 530 HE3 LYS 68 3HE LYS 68 5.856 -0.836 -12.923 531 HZ1 LYS 68 3HZ LYS 68 6.093 -3.644 -12.165 532 HZ2 LYS 68 1HZ LYS 68 5.869 -2.528 -10.913 533 HZ3 LYS 68 2HZ LYS 68 7.189 -2.372 -11.959 534 H VAL 69 H VAL 69 2.526 2.316 -15.030 535 HA VAL 69 HA VAL 69 4.755 3.054 -16.596 536 HB VAL 69 HB VAL 69 3.623 4.526 -14.213 537 HG11 VAL 69 1HG1 VAL 69 5.594 5.622 -14.671 538 HG12 VAL 69 2HG1 VAL 69 5.527 5.248 -16.395 539 HG13 VAL 69 3HG1 VAL 69 4.470 6.487 -15.719 540 HG21 VAL 69 3HG2 VAL 69 2.462 5.822 -16.134 541 HG22 VAL 69 1HG2 VAL 69 2.752 4.356 -17.071 542 HG23 VAL 69 2HG2 VAL 69 1.780 4.286 -15.602 543 H VAL 70 H VAL 70 6.881 3.056 -16.192 544 HA VAL 70 HA VAL 70 7.768 2.433 -13.449 545 HB VAL 70 HB VAL 70 9.605 1.145 -14.333 546 HG11 VAL 70 1HG1 VAL 70 7.861 -0.323 -15.963 547 HG12 VAL 70 2HG1 VAL 70 8.187 -0.564 -14.245 548 HG13 VAL 70 3HG1 VAL 70 6.846 0.463 -14.754 549 HG21 VAL 70 3HG2 VAL 70 9.837 0.708 -16.741 550 HG22 VAL 70 1HG2 VAL 70 8.524 1.841 -17.063 551 HG23 VAL 70 2HG2 VAL 70 10.035 2.418 -16.359 552 H GLY 71 H GLY 71 8.309 4.256 -16.384 553 HA2 GLY 71 2HA GLY 71 10.070 6.051 -14.875 554 HA3 GLY 71 3HA GLY 71 10.674 5.379 -16.383 555 H ILE 72 H ILE 72 10.041 8.175 -15.527 556 HA ILE 72 HA ILE 72 8.329 8.839 -17.824 557 HB ILE 72 HB ILE 72 8.225 10.174 -15.116 558 HG12 ILE 72 2HG1 ILE 72 5.898 8.893 -16.501 559 HG13 ILE 72 3HG1 ILE 72 7.040 7.884 -15.621 560 HG21 ILE 72 1HG2 ILE 72 7.611 11.176 -17.716 561 HG22 ILE 72 2HG2 ILE 72 6.119 11.021 -16.789 562 HG23 ILE 72 3HG2 ILE 72 7.456 11.978 -16.153 563 HD11 ILE 72 3HD1 ILE 72 6.472 9.925 -13.854 564 HD12 ILE 72 1HD1 ILE 72 4.926 9.589 -14.632 565 HD13 ILE 72 2HD1 ILE 72 5.808 8.291 -13.825 566 H SER 73 H SER 73 9.489 9.951 -19.237 567 HA SER 73 HA SER 73 11.702 11.621 -18.267 568 HB2 SER 73 2HB SER 73 11.249 10.862 -21.146 569 HB3 SER 73 3HB SER 73 12.752 11.336 -20.355 570 HG SER 73 HG SER 73 13.078 9.317 -19.920 571 H GLU 74 H GLU 74 12.061 13.321 -20.361 572 HA GLU 74 HA GLU 74 9.798 15.121 -20.028 573 HB2 GLU 74 2HB GLU 74 11.292 16.808 -21.056 574 HB3 GLU 74 3HB GLU 74 11.992 16.054 -19.630 575 HG2 GLU 74 2HG GLU 74 13.485 14.768 -20.912 576 HG3 GLU 74 3HG GLU 74 12.618 15.111 -22.408 577 H GLY 75 H GLY 75 11.172 13.044 -22.403 578 HA2 GLY 75 2HA GLY 75 9.194 14.036 -24.353 579 HA3 GLY 75 3HA GLY 75 10.847 13.703 -24.849 580 H LYS 76 H LYS 76 9.551 11.629 -22.452 581 HA LYS 76 HA LYS 76 8.286 9.733 -24.137 582 HB2 LYS 76 2HB LYS 76 10.025 7.958 -23.996 583 HB3 LYS 76 3HB LYS 76 10.496 9.321 -25.003 584 HG2 LYS 76 2HG LYS 76 11.986 10.141 -23.372 585 HG3 LYS 76 3HG LYS 76 11.324 9.080 -22.126 586 HD2 LYS 76 2HD LYS 76 12.617 7.986 -24.607 587 HD3 LYS 76 3HD LYS 76 13.566 8.429 -23.186 588 HE2 LYS 76 2HE LYS 76 12.261 6.884 -21.823 589 HE3 LYS 76 3HE LYS 76 11.278 6.462 -23.224 590 HZ1 LYS 76 3HZ LYS 76 13.125 5.451 -24.269 591 HZ2 LYS 76 1HZ LYS 76 13.103 4.868 -22.680 592 HZ3 LYS 76 2HZ LYS 76 14.213 6.063 -23.128 593 H ILE 77 H ILE 77 7.736 7.737 -22.986 594 HA ILE 77 HA ILE 77 8.044 7.924 -20.071 595 HB ILE 77 HB ILE 77 5.420 7.249 -21.398 596 HG12 ILE 77 2HG1 ILE 77 6.034 9.620 -21.775 597 HG13 ILE 77 3HG1 ILE 77 4.635 9.451 -20.719 598 HG21 ILE 77 1HG2 ILE 77 6.291 7.626 -18.547 599 HG22 ILE 77 2HG2 ILE 77 4.599 7.701 -19.036 600 HG23 ILE 77 3HG2 ILE 77 5.523 6.220 -19.285 601 HD11 ILE 77 3HD1 ILE 77 7.084 10.810 -20.245 602 HD12 ILE 77 1HD1 ILE 77 5.648 10.718 -19.224 603 HD13 ILE 77 2HD1 ILE 77 6.920 9.505 -19.070 604 H ASP 78 H ASP 78 8.994 6.121 -19.414 605 HA ASP 78 HA ASP 78 8.817 3.689 -20.977 606 HB2 ASP 78 2HB ASP 78 10.283 4.229 -18.386 607 HB3 ASP 78 3HB ASP 78 10.471 2.803 -19.402 608 H VAL 79 H VAL 79 7.454 2.071 -20.610 609 HA VAL 79 HA VAL 79 6.359 1.677 -17.924 610 HB VAL 79 HB VAL 79 4.090 1.518 -18.667 611 HG11 VAL 79 1HG1 VAL 79 3.633 3.752 -18.896 612 HG12 VAL 79 2HG1 VAL 79 5.309 3.828 -18.351 613 HG13 VAL 79 3HG1 VAL 79 4.928 4.010 -20.064 614 HG21 VAL 79 3HG2 VAL 79 5.298 1.720 -21.395 615 HG22 VAL 79 1HG2 VAL 79 4.107 0.575 -20.777 616 HG23 VAL 79 2HG2 VAL 79 3.633 2.238 -21.127 617 H ILE 80 H ILE 80 5.450 -0.433 -17.583 618 HA ILE 80 HA ILE 80 6.630 -2.438 -19.375 619 HB ILE 80 HB ILE 80 6.006 -2.409 -16.459 620 HG12 ILE 80 2HG1 ILE 80 8.291 -1.974 -17.397 621 HG13 ILE 80 3HG1 ILE 80 8.222 -3.325 -16.270 622 HG21 ILE 80 1HG2 ILE 80 4.775 -4.328 -17.028 623 HG22 ILE 80 2HG2 ILE 80 5.969 -4.842 -18.217 624 HG23 ILE 80 3HG2 ILE 80 6.345 -4.930 -16.497 625 HD11 ILE 80 3HD1 ILE 80 7.789 -4.241 -18.955 626 HD12 ILE 80 1HD1 ILE 80 9.283 -3.309 -18.847 627 HD13 ILE 80 2HD1 ILE 80 9.034 -4.704 -17.795 628 H GLU 81 H GLU 81 5.302 -3.393 -20.757 629 HA GLU 81 HA GLU 81 2.452 -3.608 -20.068 630 HB2 GLU 81 2HB GLU 81 3.806 -3.735 -22.769 631 HB3 GLU 81 3HB GLU 81 2.076 -3.892 -22.494 632 HG2 GLU 81 2HG GLU 81 1.780 -1.682 -22.206 633 HG3 GLU 81 3HG GLU 81 3.326 -1.471 -21.386 634 H ILE 82 H ILE 82 1.326 -5.563 -20.874 635 HA ILE 82 HA ILE 82 3.056 -7.933 -20.598 636 HB ILE 82 HB ILE 82 0.107 -7.793 -19.974 637 HG12 ILE 82 2HG1 ILE 82 1.413 -6.322 -18.470 638 HG13 ILE 82 3HG1 ILE 82 0.723 -7.700 -17.621 639 HG21 ILE 82 1HG2 ILE 82 0.971 -10.014 -20.539 640 HG22 ILE 82 2HG2 ILE 82 2.200 -9.851 -19.286 641 HG23 ILE 82 3HG2 ILE 82 0.494 -9.914 -18.844 642 HD11 ILE 82 3HD1 ILE 82 3.341 -6.857 -17.528 643 HD12 ILE 82 1HD1 ILE 82 2.722 -8.415 -16.982 644 HD13 ILE 82 2HD1 ILE 82 3.388 -8.251 -18.607 645 H VAL 83 H VAL 83 3.083 -9.399 -22.188 646 HA VAL 83 HA VAL 83 0.922 -9.406 -24.170 647 HB VAL 83 HB VAL 83 2.685 -9.704 -25.971 648 HG11 VAL 83 1HG1 VAL 83 2.877 -7.365 -26.362 649 HG12 VAL 83 2HG1 VAL 83 1.330 -7.630 -25.556 650 HG13 VAL 83 3HG1 VAL 83 2.703 -7.000 -24.645 651 HG21 VAL 83 3HG2 VAL 83 4.675 -8.130 -24.606 652 HG22 VAL 83 1HG2 VAL 83 4.406 -9.660 -23.772 653 HG23 VAL 83 2HG2 VAL 83 4.855 -9.652 -25.478 654 HA PRO 84 HA PRO 84 1.205 -13.781 -23.922 655 HB2 PRO 84 2HB PRO 84 0.477 -14.500 -26.436 656 HB3 PRO 84 3HB PRO 84 -0.667 -13.858 -25.252 657 HG2 PRO 84 2HG PRO 84 0.716 -12.453 -27.505 658 HG3 PRO 84 3HG PRO 84 -0.973 -12.333 -26.981 659 HD2 PRO 84 2HD PRO 84 0.889 -10.479 -26.329 660 HD3 PRO 84 3HD PRO 84 -0.468 -10.885 -25.259 661 H ASP 85 H ASP 85 2.351 -15.653 -24.694 662 HA ASP 85 HA ASP 85 4.919 -14.944 -25.903 663 HB2 ASP 85 2HB ASP 85 3.975 -17.093 -24.075 664 HB3 ASP 85 3HB ASP 85 5.305 -17.484 -25.162 665 H GLY 86 H GLY 86 2.503 -17.563 -26.138 666 HA2 GLY 86 2HA GLY 86 2.096 -17.568 -28.835 667 HA3 GLY 86 3HA GLY 86 3.581 -18.487 -28.640 668 H GLU 87 H GLU 87 2.574 -19.446 -25.962 669 HA GLU 87 HA GLU 87 0.901 -21.605 -27.038 670 HB2 GLU 87 2HB GLU 87 2.298 -21.646 -24.374 671 HB3 GLU 87 3HB GLU 87 1.736 -23.006 -25.336 672 HG2 GLU 87 2HG GLU 87 4.001 -21.178 -26.097 673 HG3 GLU 87 3HG GLU 87 4.183 -22.760 -25.340 674 H GLY 88 H GLY 88 0.988 -19.049 -24.678 675 HA2 GLY 88 2HA GLY 88 -1.585 -18.511 -24.331 676 HA3 GLY 88 3HA GLY 88 -1.453 -19.984 -23.381 677 H ASN 89 H ASN 89 1.445 -19.001 -22.836 678 HA ASN 89 HA ASN 89 0.761 -17.677 -20.362 679 HB2 ASN 89 2HB ASN 89 2.956 -18.115 -19.672 680 HB3 ASN 89 3HB ASN 89 2.579 -19.482 -20.718 681 HD21 ASN 89 1HD2 ASN 89 3.698 -19.770 -22.580 682 HD22 ASN 89 2HD2 ASN 89 5.036 -18.788 -23.059 683 H TRP 90 H TRP 90 1.676 -15.671 -19.663 684 HA TRP 90 HA TRP 90 2.087 -13.800 -21.892 685 HB2 TRP 90 2HB TRP 90 1.278 -13.208 -19.037 686 HB3 TRP 90 3HB TRP 90 1.372 -12.042 -20.355 687 HD1 TRP 90 HD1 TRP 90 -0.734 -15.045 -19.181 688 HE1 TRP 90 HE1 TRP 90 -3.046 -14.897 -20.301 689 HE3 TRP 90 HE3 TRP 90 0.126 -11.085 -22.298 690 HZ2 TRP 90 HZ2 TRP 90 -4.335 -13.312 -22.249 691 HZ3 TRP 90 HZ3 TRP 90 -1.699 -10.315 -23.758 692 HH2 TRP 90 HH2 TRP 90 -3.882 -11.407 -23.733 693 H LEU 91 H LEU 91 3.530 -11.910 -21.379 694 HA LEU 91 HA LEU 91 5.656 -12.450 -19.476 695 HB2 LEU 91 2HB LEU 91 5.919 -12.786 -22.385 696 HB3 LEU 91 3HB LEU 91 7.183 -11.820 -21.628 697 HG LEU 91 HG LEU 91 6.453 -14.655 -20.895 698 HD11 LEU 91 1HD1 LEU 91 7.668 -14.104 -23.126 699 HD12 LEU 91 2HD1 LEU 91 8.290 -15.381 -22.082 700 HD13 LEU 91 3HD1 LEU 91 9.054 -13.791 -22.081 701 HD21 LEU 91 3HD2 LEU 91 8.887 -14.181 -19.811 702 HD22 LEU 91 1HD2 LEU 91 7.364 -14.035 -18.934 703 HD23 LEU 91 2HD2 LEU 91 8.127 -12.600 -19.620 704 H GLU 92 H GLU 92 7.225 -10.632 -19.369 705 HA GLU 92 HA GLU 92 5.814 -8.141 -19.368 706 HB2 GLU 92 2HB GLU 92 7.857 -7.208 -18.419 707 HB3 GLU 92 3HB GLU 92 7.432 -8.710 -17.610 708 HG2 GLU 92 2HG GLU 92 9.297 -8.904 -19.894 709 HG3 GLU 92 3HG GLU 92 9.902 -8.146 -18.422 710 H ARG 93 H ARG 93 6.456 -6.206 -20.456 711 HA ARG 93 HA ARG 93 8.209 -6.490 -22.766 712 HB2 ARG 93 2HB ARG 93 5.685 -7.025 -23.283 713 HB3 ARG 93 3HB ARG 93 5.519 -5.275 -23.246 714 HG2 ARG 93 2HG ARG 93 7.542 -5.336 -24.894 715 HG3 ARG 93 3HG ARG 93 7.010 -6.997 -25.164 716 HD2 ARG 93 2HD ARG 93 4.753 -6.156 -25.694 717 HD3 ARG 93 3HD ARG 93 5.341 -4.506 -25.491 718 HE ARG 93 HE ARG 93 6.229 -4.624 -27.588 719 HH11 ARG 93 1HH1 ARG 93 5.691 -7.861 -26.423 720 HH12 ARG 93 2HH1 ARG 93 6.125 -8.612 -27.923 721 HH21 ARG 93 1HH2 ARG 93 6.802 -5.602 -29.567 722 HH22 ARG 93 2HH2 ARG 93 6.757 -7.327 -29.710 723 HA PRO 94 HA PRO 94 8.857 -2.461 -20.721 724 HB2 PRO 94 2HB PRO 94 11.482 -2.311 -21.398 725 HB3 PRO 94 3HB PRO 94 10.902 -3.212 -19.992 726 HG2 PRO 94 2HG PRO 94 11.648 -4.218 -22.711 727 HG3 PRO 94 3HG PRO 94 12.031 -4.903 -21.121 728 HD2 PRO 94 2HD PRO 94 10.035 -5.863 -22.679 729 HD3 PRO 94 3HD PRO 94 9.957 -5.886 -20.906 730 H ARG 95 H ARG 95 7.747 -1.088 -22.050 731 HA ARG 95 HA ARG 95 9.074 -0.345 -24.575 732 HB2 ARG 95 2HB ARG 95 6.167 -0.710 -23.936 733 HB3 ARG 95 3HB ARG 95 6.653 0.415 -25.198 734 HG2 ARG 95 2HG ARG 95 7.762 -2.338 -25.275 735 HG3 ARG 95 3HG ARG 95 6.073 -2.098 -25.727 736 HD2 ARG 95 2HD ARG 95 8.421 -0.626 -26.917 737 HD3 ARG 95 3HD ARG 95 7.604 -2.001 -27.659 738 HE ARG 95 HE ARG 95 6.721 0.716 -27.639 739 HH11 ARG 95 1HH1 ARG 95 5.647 -2.595 -27.712 740 HH12 ARG 95 2HH1 ARG 95 4.146 -2.227 -28.496 741 HH21 ARG 95 1HH2 ARG 95 4.748 1.212 -28.670 742 HH22 ARG 95 2HH2 ARG 95 3.636 -0.062 -29.041 743 H SER 96 H SER 96 8.790 1.890 -25.237 744 HA SER 96 HA SER 96 8.207 3.715 -23.003 745 HB2 SER 96 2HB SER 96 10.252 4.793 -24.729 746 HB3 SER 96 3HB SER 96 10.298 4.521 -22.987 747 HG SER 96 HG SER 96 11.892 3.320 -24.171 748 H LEU 97 H LEU 97 6.702 5.148 -23.516 749 HA LEU 97 HA LEU 97 5.949 5.524 -26.295 750 HB2 LEU 97 2HB LEU 97 4.701 6.839 -23.899 751 HB3 LEU 97 3HB LEU 97 3.985 6.558 -25.485 752 HG LEU 97 HG LEU 97 4.460 4.012 -24.689 753 HD11 LEU 97 1HD1 LEU 97 4.770 3.820 -22.505 754 HD12 LEU 97 2HD1 LEU 97 3.255 4.672 -22.207 755 HD13 LEU 97 3HD1 LEU 97 4.762 5.577 -22.343 756 HD21 LEU 97 3HD2 LEU 97 2.356 4.306 -25.466 757 HD22 LEU 97 1HD2 LEU 97 2.142 5.844 -24.629 758 HD23 LEU 97 2HD2 LEU 97 1.973 4.328 -23.744 759 H THR 98 H THR 98 7.202 6.910 -27.386 760 HA THR 98 HA THR 98 8.434 9.189 -26.157 761 HB THR 98 HB THR 98 9.245 9.735 -28.407 762 HG1 THR 98 HG1 THR 98 8.661 8.116 -30.081 763 HG21 THR 98 3HG2 THR 98 10.844 8.271 -27.888 764 HG22 THR 98 1HG2 THR 98 9.931 7.040 -28.759 765 HG23 THR 98 2HG2 THR 98 9.696 7.249 -27.024 766 H LEU 99 H LEU 99 8.067 11.394 -26.694 767 HA LEU 99 HA LEU 99 5.435 12.241 -26.594 768 HB2 LEU 99 2HB LEU 99 8.043 13.465 -26.981 769 HB3 LEU 99 3HB LEU 99 6.760 14.333 -27.822 770 HG LEU 99 HG LEU 99 6.869 13.735 -24.866 771 HD11 LEU 99 1HD1 LEU 99 8.447 15.459 -25.572 772 HD12 LEU 99 2HD1 LEU 99 7.127 16.146 -24.625 773 HD13 LEU 99 3HD1 LEU 99 7.141 16.329 -26.379 774 HD21 LEU 99 3HD2 LEU 99 4.936 15.701 -25.620 775 HD22 LEU 99 1HD2 LEU 99 4.699 14.179 -24.761 776 HD23 LEU 99 2HD2 LEU 99 4.641 14.214 -26.523 777 H LYS 100 H LYS 100 3.851 12.418 -28.035 778 HA LYS 100 HA LYS 100 3.946 11.402 -30.599 779 HB2 LYS 100 2HB LYS 100 1.813 12.554 -30.987 780 HB3 LYS 100 3HB LYS 100 1.853 11.790 -29.403 781 HG2 LYS 100 2HG LYS 100 2.390 13.978 -28.397 782 HG3 LYS 100 3HG LYS 100 2.240 14.718 -29.993 783 HD2 LYS 100 2HD LYS 100 0.045 13.180 -28.609 784 HD3 LYS 100 3HD LYS 100 0.199 14.938 -28.589 785 HE2 LYS 100 2HE LYS 100 -0.064 13.262 -31.082 786 HE3 LYS 100 3HE LYS 100 -1.399 14.100 -30.292 787 HZ1 LYS 100 3HZ LYS 100 -0.858 15.922 -31.398 788 HZ2 LYS 100 1HZ LYS 100 0.426 15.118 -32.152 789 HZ3 LYS 100 2HZ LYS 100 0.678 15.932 -30.691 790 H GLU 101 H GLU 101 4.613 12.118 -32.527 791 HA GLU 101 HA GLU 101 5.369 14.958 -32.753 792 HB2 GLU 101 2HB GLU 101 7.339 13.506 -32.705 793 HB3 GLU 101 3HB GLU 101 6.689 12.559 -34.036 794 HG2 GLU 101 2HG GLU 101 6.703 14.755 -35.352 795 HG3 GLU 101 3HG GLU 101 7.754 15.356 -34.071 796 H ARG 102 H ARG 102 3.895 12.182 -34.284 797 HA ARG 102 HA ARG 102 2.875 13.962 -36.398 798 HB2 ARG 102 2HB ARG 102 3.665 11.056 -36.669 799 HB3 ARG 102 3HB ARG 102 2.873 12.004 -37.921 800 HG2 ARG 102 2HG ARG 102 4.853 13.576 -37.793 801 HG3 ARG 102 3HG ARG 102 5.643 12.337 -36.816 802 HD2 ARG 102 2HD ARG 102 6.382 11.879 -38.975 803 HD3 ARG 102 3HD ARG 102 5.056 10.740 -38.743 804 HE ARG 102 HE ARG 102 3.950 12.994 -39.894 805 HH11 ARG 102 1HH1 ARG 102 6.365 10.627 -40.720 806 HH12 ARG 102 2HH1 ARG 102 6.089 10.748 -42.426 807 HH21 ARG 102 1HH2 ARG 102 3.577 13.164 -42.138 808 HH22 ARG 102 2HH2 ARG 102 4.504 12.193 -43.232 809 H SER 103 H SER 103 0.799 13.286 -37.318 810 HA SER 103 HA SER 103 -0.844 11.829 -35.350 811 HB2 SER 103 2HB SER 103 -2.005 13.927 -37.154 812 HB3 SER 103 3HB SER 103 -2.582 13.363 -35.586 813 HG SER 103 HG SER 103 -1.632 15.411 -35.398 814 H LEU 104 H LEU 104 -1.491 9.944 -36.130 815 HA LEU 104 HA LEU 104 -2.006 9.709 -39.020 816 HB2 LEU 104 2HB LEU 104 -0.210 8.286 -37.833 817 HB3 LEU 104 3HB LEU 104 -1.576 7.388 -37.174 818 HG LEU 104 HG LEU 104 -2.226 7.237 -39.746 819 HD11 LEU 104 1HD1 LEU 104 0.587 8.086 -39.709 820 HD12 LEU 104 2HD1 LEU 104 -0.622 8.207 -40.986 821 HD13 LEU 104 3HD1 LEU 104 0.232 6.687 -40.723 822 HD21 LEU 104 3HD2 LEU 104 -1.877 5.359 -38.211 823 HD22 LEU 104 1HD2 LEU 104 -0.134 5.506 -38.433 824 HD23 LEU 104 2HD2 LEU 104 -1.161 5.051 -39.794 825 H GLU 105 H GLU 105 -4.010 10.846 -37.592 826 HA GLU 105 HA GLU 105 -6.004 8.683 -37.427 827 HB2 GLU 105 2HB GLU 105 -7.203 10.056 -35.741 828 HB3 GLU 105 3HB GLU 105 -5.622 9.514 -35.195 829 HG2 GLU 105 2HG GLU 105 -5.560 11.682 -34.513 830 HG3 GLU 105 3HG GLU 105 -4.857 11.847 -36.121 831 H HIS 106 H HIS 106 -5.204 10.369 -39.696 832 HA HIS 106 HA HIS 106 -7.012 12.446 -40.181 833 HB2 HIS 106 2HB HIS 106 -5.795 10.578 -42.225 834 HB3 HIS 106 3HB HIS 106 -6.440 12.188 -42.532 835 HD1 HIS 106 HD1 HIS 106 -3.344 10.504 -41.968 836 HD2 HIS 106 HD2 HIS 106 -4.887 14.224 -40.948 837 HE1 HIS 106 HE1 HIS 106 -1.348 11.932 -41.421 838 H HIS 107 H HIS 107 -8.866 12.492 -41.601 839 HA HIS 107 HA HIS 107 -10.243 9.980 -42.086 840 HB2 HIS 107 2HB HIS 107 -10.794 10.917 -39.719 841 HB3 HIS 107 3HB HIS 107 -11.756 12.103 -40.597 842 HD1 HIS 107 HD1 HIS 107 -13.830 10.995 -39.353 843 HD2 HIS 107 HD2 HIS 107 -11.893 8.582 -42.126 844 HE1 HIS 107 HE1 HIS 107 -15.421 9.106 -39.828 845 H HIS 108 H HIS 108 -10.762 10.144 -44.161 846 HA HIS 108 HA HIS 108 -12.380 12.348 -45.080 847 HB2 HIS 108 2HB HIS 108 -10.940 13.090 -46.850 848 HB3 HIS 108 3HB HIS 108 -10.018 13.158 -45.351 849 HD1 HIS 108 HD1 HIS 108 -8.109 11.405 -45.056 850 HD2 HIS 108 HD2 HIS 108 -9.985 11.314 -48.762 851 HE1 HIS 108 HE1 HIS 108 -6.613 10.026 -46.533 852 H HIS 109 H HIS 109 -13.674 11.790 -46.776 853 HA HIS 109 HA HIS 109 -13.238 9.122 -47.951 854 HB2 HIS 109 2HB HIS 109 -15.111 9.074 -46.372 855 HB3 HIS 109 3HB HIS 109 -15.877 10.412 -47.223 856 HD1 HIS 109 HD1 HIS 109 -14.810 6.828 -47.895 857 HD2 HIS 109 HD2 HIS 109 -17.582 9.639 -49.190 858 HE1 HIS 109 HE1 HIS 109 -16.303 5.606 -49.508 859 H HIS 110 H HIS 110 -13.919 8.821 -50.116 860 HA HIS 110 HA HIS 110 -13.307 10.865 -51.882 861 HB2 HIS 110 2HB HIS 110 -13.420 8.388 -52.381 862 HB3 HIS 110 3HB HIS 110 -15.167 8.570 -52.515 863 HD1 HIS 110 HD1 HIS 110 -16.071 9.423 -54.700 864 HD2 HIS 110 HD2 HIS 110 -11.943 9.803 -54.415 865 HE1 HIS 110 HE1 HIS 110 -15.299 10.116 -56.991 866 H HIS 111 H HIS 111 -14.327 12.692 -52.330 867 HA HIS 111 HA HIS 111 -17.099 13.059 -51.603 868 HB2 HIS 111 2HB HIS 111 -15.259 14.793 -51.300 869 HB3 HIS 111 3HB HIS 111 -15.334 15.038 -53.042 870 HD1 HIS 111 HD1 HIS 111 -16.432 17.252 -53.287 871 HD2 HIS 111 HD2 HIS 111 -18.400 14.828 -50.546 872 HE1 HIS 111 HE1 HIS 111 -18.506 18.517 -52.638 Start of MODEL 7 1 H1 ASP 1 H ASP 1 20.793 -5.448 -33.708 2 HA ASP 1 HA ASP 1 23.073 -6.956 -32.604 3 HB2 ASP 1 2HB ASP 1 22.610 -5.629 -30.473 4 HB3 ASP 1 3HB ASP 1 23.344 -4.744 -31.808 5 H LEU 2 H LEU 2 21.998 -8.934 -32.685 6 HA LEU 2 HA LEU 2 19.395 -9.451 -31.844 7 HB2 LEU 2 2HB LEU 2 21.873 -11.105 -32.053 8 HB3 LEU 2 3HB LEU 2 20.429 -11.789 -31.309 9 HG LEU 2 HG LEU 2 19.194 -11.317 -33.419 10 HD11 LEU 2 1HD1 LEU 2 21.903 -10.357 -34.242 11 HD12 LEU 2 2HD1 LEU 2 20.325 -9.614 -34.501 12 HD13 LEU 2 3HD1 LEU 2 20.793 -11.036 -35.433 13 HD21 LEU 2 3HD2 LEU 2 21.342 -13.260 -33.029 14 HD22 LEU 2 1HD2 LEU 2 20.908 -13.005 -34.720 15 HD23 LEU 2 2HD2 LEU 2 19.675 -13.497 -33.558 16 H THR 3 H THR 3 18.433 -9.572 -29.919 17 HA THR 3 HA THR 3 20.112 -9.316 -27.522 18 HB THR 3 HB THR 3 17.846 -8.717 -26.439 19 HG1 THR 3 HG1 THR 3 16.313 -7.917 -27.940 20 HG21 THR 3 3HG2 THR 3 18.358 -6.560 -28.333 21 HG22 THR 3 1HG2 THR 3 19.830 -7.202 -27.606 22 HG23 THR 3 2HG2 THR 3 18.535 -6.589 -26.579 23 H VAL 4 H VAL 4 20.363 -11.025 -26.253 24 HA VAL 4 HA VAL 4 18.724 -13.384 -26.641 25 HB VAL 4 HB VAL 4 21.038 -12.948 -24.747 26 HG11 VAL 4 1HG1 VAL 4 20.594 -14.957 -23.918 27 HG12 VAL 4 2HG1 VAL 4 19.138 -15.035 -24.913 28 HG13 VAL 4 3HG1 VAL 4 20.666 -15.662 -25.533 29 HG21 VAL 4 3HG2 VAL 4 20.881 -13.791 -27.602 30 HG22 VAL 4 1HG2 VAL 4 22.062 -12.760 -26.792 31 HG23 VAL 4 2HG2 VAL 4 22.115 -14.508 -26.565 32 H ARG 5 H ARG 5 17.018 -13.906 -25.447 33 HA ARG 5 HA ARG 5 16.825 -12.909 -22.698 34 HB2 ARG 5 2HB ARG 5 14.688 -12.630 -24.816 35 HB3 ARG 5 3HB ARG 5 14.400 -12.400 -23.096 36 HG2 ARG 5 2HG ARG 5 16.082 -10.584 -23.103 37 HG3 ARG 5 3HG ARG 5 16.227 -10.776 -24.851 38 HD2 ARG 5 2HD ARG 5 14.725 -8.959 -24.394 39 HD3 ARG 5 3HD ARG 5 13.801 -10.308 -25.052 40 HE ARG 5 HE ARG 5 13.730 -10.520 -22.279 41 HH11 ARG 5 1HH1 ARG 5 12.636 -8.335 -24.759 42 HH12 ARG 5 2HH1 ARG 5 11.267 -7.784 -23.852 43 HH21 ARG 5 1HH2 ARG 5 11.931 -9.803 -21.075 44 HH22 ARG 5 2HH2 ARG 5 10.867 -8.619 -21.756 45 H GLN 6 H GLN 6 14.618 -13.919 -21.768 46 HA GLN 6 HA GLN 6 14.477 -16.731 -22.608 47 HB2 GLN 6 2HB GLN 6 14.594 -17.511 -20.349 48 HB3 GLN 6 3HB GLN 6 15.975 -16.454 -20.617 49 HG2 GLN 6 2HG GLN 6 15.282 -15.722 -18.575 50 HG3 GLN 6 3HG GLN 6 14.381 -14.631 -19.626 51 HE21 GLN 6 1HE2 GLN 6 13.114 -14.482 -17.577 52 HE22 GLN 6 2HE2 GLN 6 11.816 -15.602 -17.363 53 H LYS 7 H LYS 7 12.508 -17.785 -22.188 54 HA LYS 7 HA LYS 7 10.288 -16.000 -21.433 55 HB2 LYS 7 2HB LYS 7 10.483 -18.004 -23.667 56 HB3 LYS 7 3HB LYS 7 8.924 -17.510 -23.020 57 HG2 LYS 7 2HG LYS 7 9.619 -15.131 -23.507 58 HG3 LYS 7 3HG LYS 7 10.975 -15.812 -24.410 59 HD2 LYS 7 2HD LYS 7 8.225 -16.797 -24.998 60 HD3 LYS 7 3HD LYS 7 8.703 -15.209 -25.602 61 HE2 LYS 7 2HE LYS 7 9.322 -16.567 -27.354 62 HE3 LYS 7 3HE LYS 7 10.823 -16.483 -26.435 63 HZ1 LYS 7 3HZ LYS 7 10.749 -18.699 -26.540 64 HZ2 LYS 7 1HZ LYS 7 9.107 -18.738 -26.948 65 HZ3 LYS 7 2HZ LYS 7 9.573 -18.599 -25.328 66 H GLY 8 H GLY 8 8.952 -16.715 -19.883 67 HA2 GLY 8 2HA GLY 8 8.065 -19.262 -19.390 68 HA3 GLY 8 3HA GLY 8 9.580 -19.149 -18.507 69 H ASN 9 H ASN 9 6.718 -17.082 -19.032 70 HA ASN 9 HA ASN 9 6.296 -16.974 -16.152 71 HB2 ASN 9 2HB ASN 9 6.981 -14.589 -17.857 72 HB3 ASN 9 3HB ASN 9 6.036 -14.415 -16.382 73 HD21 ASN 9 1HD2 ASN 9 8.977 -13.977 -17.494 74 HD22 ASN 9 2HD2 ASN 9 9.929 -14.369 -16.106 75 H LYS 10 H LYS 10 4.189 -16.556 -15.562 76 HA LYS 10 HA LYS 10 2.264 -15.868 -17.651 77 HB2 LYS 10 2HB LYS 10 1.892 -18.277 -15.865 78 HB3 LYS 10 3HB LYS 10 0.814 -17.733 -17.143 79 HG2 LYS 10 2HG LYS 10 2.469 -18.264 -18.819 80 HG3 LYS 10 3HG LYS 10 3.632 -18.707 -17.567 81 HD2 LYS 10 2HD LYS 10 1.903 -20.424 -16.808 82 HD3 LYS 10 3HD LYS 10 1.091 -20.113 -18.345 83 HE2 LYS 10 2HE LYS 10 3.994 -20.661 -18.468 84 HE3 LYS 10 3HE LYS 10 2.958 -22.014 -18.015 85 HZ1 LYS 10 3HZ LYS 10 2.855 -20.409 -20.504 86 HZ2 LYS 10 1HZ LYS 10 1.615 -21.463 -20.041 87 HZ3 LYS 10 2HZ LYS 10 3.165 -22.065 -20.348 88 H VAL 11 H VAL 11 0.177 -15.223 -16.811 89 HA VAL 11 HA VAL 11 0.067 -14.672 -13.941 90 HB VAL 11 HB VAL 11 1.009 -12.691 -15.416 91 HG11 VAL 11 1HG1 VAL 11 -1.906 -12.023 -15.556 92 HG12 VAL 11 2HG1 VAL 11 -0.551 -11.296 -16.421 93 HG13 VAL 11 3HG1 VAL 11 -1.122 -12.904 -16.867 94 HG21 VAL 11 3HG2 VAL 11 -0.972 -11.514 -13.685 95 HG22 VAL 11 1HG2 VAL 11 -0.231 -12.924 -12.926 96 HG23 VAL 11 2HG2 VAL 11 0.780 -11.595 -13.493 97 H ILE 12 H ILE 12 -2.144 -13.495 -13.491 98 HA ILE 12 HA ILE 12 -4.181 -15.267 -14.487 99 HB ILE 12 HB ILE 12 -4.560 -12.872 -12.692 100 HG12 ILE 12 2HG1 ILE 12 -3.949 -15.739 -11.936 101 HG13 ILE 12 3HG1 ILE 12 -2.847 -14.377 -11.764 102 HG21 ILE 12 1HG2 ILE 12 -6.615 -13.745 -13.637 103 HG22 ILE 12 2HG2 ILE 12 -6.192 -15.373 -13.109 104 HG23 ILE 12 3HG2 ILE 12 -6.532 -14.119 -11.916 105 HD11 ILE 12 3HD1 ILE 12 -4.989 -15.271 -10.032 106 HD12 ILE 12 1HD1 ILE 12 -3.627 -14.203 -9.695 107 HD13 ILE 12 2HD1 ILE 12 -5.101 -13.553 -10.414 108 H LYS 13 H LYS 13 -5.698 -14.873 -15.984 109 HA LYS 13 HA LYS 13 -5.436 -12.621 -17.703 110 HB2 LYS 13 2HB LYS 13 -7.792 -14.499 -17.627 111 HB3 LYS 13 3HB LYS 13 -7.168 -13.598 -19.002 112 HG2 LYS 13 2HG LYS 13 -5.010 -15.041 -18.519 113 HG3 LYS 13 3HG LYS 13 -6.196 -16.123 -17.785 114 HD2 LYS 13 2HD LYS 13 -6.298 -15.053 -20.606 115 HD3 LYS 13 3HD LYS 13 -5.789 -16.678 -20.140 116 HE2 LYS 13 2HE LYS 13 -8.007 -17.112 -19.216 117 HE3 LYS 13 3HE LYS 13 -8.516 -15.482 -19.654 118 HZ1 LYS 13 3HZ LYS 13 -8.178 -16.027 -21.975 119 HZ2 LYS 13 1HZ LYS 13 -9.254 -17.127 -21.271 120 HZ3 LYS 13 2HZ LYS 13 -7.653 -17.583 -21.568 121 HA PRO 14 HA PRO 14 -8.162 -9.697 -15.888 122 HB2 PRO 14 2HB PRO 14 -9.170 -8.484 -18.098 123 HB3 PRO 14 3HB PRO 14 -7.509 -8.243 -17.543 124 HG2 PRO 14 2HG PRO 14 -8.543 -10.036 -19.707 125 HG3 PRO 14 3HG PRO 14 -7.109 -8.992 -19.708 126 HD2 PRO 14 2HD PRO 14 -6.966 -11.662 -19.280 127 HD3 PRO 14 3HD PRO 14 -5.846 -10.512 -18.523 128 H ASP 15 H ASP 15 -10.142 -9.829 -15.039 129 HA ASP 15 HA ASP 15 -12.170 -11.408 -16.472 130 HB2 ASP 15 2HB ASP 15 -11.731 -10.887 -13.534 131 HB3 ASP 15 3HB ASP 15 -13.236 -11.559 -14.155 132 H GLU 16 H GLU 16 -14.474 -10.702 -15.390 133 HA GLU 16 HA GLU 16 -14.775 -7.919 -16.232 134 HB2 GLU 16 2HB GLU 16 -17.167 -8.425 -16.388 135 HB3 GLU 16 3HB GLU 16 -16.212 -9.574 -17.314 136 HG2 GLU 16 2HG GLU 16 -17.531 -11.075 -16.299 137 HG3 GLU 16 3HG GLU 16 -16.374 -10.892 -14.982 138 H THR 17 H THR 17 -13.682 -8.670 -13.606 139 HA THR 17 HA THR 17 -15.758 -7.507 -11.866 140 HB THR 17 HB THR 17 -15.042 -9.794 -11.215 141 HG1 THR 17 HG1 THR 17 -14.302 -9.004 -8.992 142 HG21 THR 17 3HG2 THR 17 -12.713 -9.655 -11.985 143 HG22 THR 17 1HG2 THR 17 -12.809 -10.142 -10.294 144 HG23 THR 17 2HG2 THR 17 -12.366 -8.487 -10.711 145 H ARG 18 H ARG 18 -12.523 -7.220 -13.073 146 HA ARG 18 HA ARG 18 -11.429 -5.472 -11.178 147 HB2 ARG 18 2HB ARG 18 -10.887 -5.617 -14.150 148 HB3 ARG 18 3HB ARG 18 -9.868 -4.807 -12.967 149 HG2 ARG 18 2HG ARG 18 -10.506 -7.710 -12.667 150 HG3 ARG 18 3HG ARG 18 -9.241 -7.178 -13.777 151 HD2 ARG 18 2HD ARG 18 -7.976 -7.439 -11.906 152 HD3 ARG 18 3HD ARG 18 -8.500 -5.776 -11.649 153 HE ARG 18 HE ARG 18 -10.369 -7.509 -10.478 154 HH11 ARG 18 1HH1 ARG 18 -7.087 -6.429 -10.054 155 HH12 ARG 18 2HH1 ARG 18 -7.091 -6.670 -8.338 156 HH21 ARG 18 1HH2 ARG 18 -10.388 -7.830 -8.219 157 HH22 ARG 18 2HH2 ARG 18 -8.969 -7.468 -7.296 158 H VAL 19 H VAL 19 -10.661 -3.165 -12.277 159 HA VAL 19 HA VAL 19 -13.147 -1.654 -12.367 160 HB VAL 19 HB VAL 19 -10.291 -0.670 -12.259 161 HG11 VAL 19 1HG1 VAL 19 -12.926 0.696 -12.357 162 HG12 VAL 19 2HG1 VAL 19 -11.677 1.382 -11.316 163 HG13 VAL 19 3HG1 VAL 19 -11.374 1.178 -13.042 164 HG21 VAL 19 3HG2 VAL 19 -10.321 -0.954 -10.049 165 HG22 VAL 19 1HG2 VAL 19 -11.917 -0.216 -9.909 166 HG23 VAL 19 2HG2 VAL 19 -11.769 -1.935 -10.275 167 H LYS 20 H LYS 20 -13.881 -0.503 -14.078 168 HA LYS 20 HA LYS 20 -12.240 -0.478 -16.521 169 HB2 LYS 20 2HB LYS 20 -15.228 -0.883 -16.534 170 HB3 LYS 20 3HB LYS 20 -14.108 -1.062 -17.878 171 HG2 LYS 20 2HG LYS 20 -14.392 -3.248 -17.378 172 HG3 LYS 20 3HG LYS 20 -13.070 -2.898 -16.262 173 HD2 LYS 20 2HD LYS 20 -14.521 -2.760 -14.418 174 HD3 LYS 20 3HD LYS 20 -15.949 -2.620 -15.446 175 HE2 LYS 20 2HE LYS 20 -14.264 -5.073 -15.632 176 HE3 LYS 20 3HE LYS 20 -15.348 -4.886 -14.255 177 HZ1 LYS 20 3HZ LYS 20 -16.710 -4.243 -16.642 178 HZ2 LYS 20 1HZ LYS 20 -17.054 -5.462 -15.520 179 HZ3 LYS 20 2HZ LYS 20 -15.993 -5.767 -16.802 180 H GLN 21 H GLN 21 -11.684 1.691 -15.996 181 HA GLN 21 HA GLN 21 -13.592 3.724 -15.540 182 HB2 GLN 21 2HB GLN 21 -10.698 3.638 -16.242 183 HB3 GLN 21 3HB GLN 21 -11.555 5.156 -16.478 184 HG2 GLN 21 2HG GLN 21 -12.073 5.340 -14.192 185 HG3 GLN 21 3HG GLN 21 -11.629 3.663 -13.878 186 HE21 GLN 21 1HE2 GLN 21 -9.340 3.108 -14.207 187 HE22 GLN 21 2HE2 GLN 21 -8.144 4.289 -13.803 188 H PHE 22 H PHE 22 -13.467 5.739 -17.136 189 HA PHE 22 HA PHE 22 -14.882 4.943 -19.465 190 HB2 PHE 22 2HB PHE 22 -15.445 7.038 -18.440 191 HB3 PHE 22 3HB PHE 22 -13.787 7.616 -18.580 192 HD1 PHE 22 HD2 PHE 22 -16.293 6.134 -20.921 193 HD2 PHE 22 HD1 PHE 22 -13.551 9.289 -20.117 194 HE1 PHE 22 HE2 PHE 22 -16.837 7.156 -23.092 195 HE2 PHE 22 HE1 PHE 22 -14.092 10.317 -22.286 196 HZ PHE 22 HZ PHE 22 -15.736 9.250 -23.777 197 H LEU 23 H LEU 23 -11.638 6.280 -18.937 198 HA LEU 23 HA LEU 23 -10.974 6.151 -21.737 199 HB2 LEU 23 2HB LEU 23 -9.236 6.650 -19.325 200 HB3 LEU 23 3HB LEU 23 -8.736 6.847 -21.003 201 HG LEU 23 HG LEU 23 -9.157 9.019 -20.295 202 HD11 LEU 23 1HD1 LEU 23 -11.027 9.766 -21.559 203 HD12 LEU 23 2HD1 LEU 23 -11.825 8.200 -21.423 204 HD13 LEU 23 3HD1 LEU 23 -10.360 8.362 -22.393 205 HD21 LEU 23 3HD2 LEU 23 -10.528 9.632 -18.624 206 HD22 LEU 23 1HD2 LEU 23 -10.566 7.906 -18.265 207 HD23 LEU 23 2HD2 LEU 23 -11.861 8.638 -19.213 208 H GLU 24 H GLU 24 -10.732 4.077 -18.989 209 HA GLU 24 HA GLU 24 -8.623 2.418 -19.929 210 HB2 GLU 24 2HB GLU 24 -10.733 2.166 -17.819 211 HB3 GLU 24 3HB GLU 24 -9.794 0.752 -18.276 212 HG2 GLU 24 2HG GLU 24 -8.308 3.235 -17.649 213 HG3 GLU 24 3HG GLU 24 -9.067 2.373 -16.312 214 H GLY 25 H GLY 25 -11.791 2.836 -20.971 215 HA2 GLY 25 2HA GLY 25 -12.323 0.122 -21.769 216 HA3 GLY 25 3HA GLY 25 -13.250 1.545 -22.221 217 H PHE 26 H PHE 26 -10.657 2.816 -23.151 218 HA PHE 26 HA PHE 26 -10.675 1.561 -25.800 219 HB2 PHE 26 2HB PHE 26 -9.533 4.256 -25.054 220 HB3 PHE 26 3HB PHE 26 -9.883 3.652 -26.670 221 HD1 PHE 26 HD2 PHE 26 -11.376 4.865 -23.532 222 HD2 PHE 26 HD1 PHE 26 -12.066 3.783 -27.591 223 HE1 PHE 26 HE2 PHE 26 -13.618 5.871 -23.416 224 HE2 PHE 26 HE1 PHE 26 -14.309 4.789 -27.481 225 HZ PHE 26 HZ PHE 26 -15.088 5.834 -25.392 226 H ASN 27 H ASN 27 -8.399 2.172 -26.944 227 HA ASN 27 HA ASN 27 -6.473 0.548 -25.531 228 HB2 ASN 27 2HB ASN 27 -6.872 1.486 -28.291 229 HB3 ASN 27 3HB ASN 27 -5.185 1.391 -27.794 230 HD21 ASN 27 1HD2 ASN 27 -5.330 -0.243 -29.593 231 HD22 ASN 27 2HD2 ASN 27 -5.689 -1.870 -29.135 232 H ILE 28 H ILE 28 -4.113 1.270 -25.622 233 HA ILE 28 HA ILE 28 -3.959 3.890 -24.361 234 HB ILE 28 HB ILE 28 -2.874 1.936 -23.289 235 HG12 ILE 28 2HG1 ILE 28 -0.655 3.059 -22.910 236 HG13 ILE 28 3HG1 ILE 28 -1.073 4.192 -24.191 237 HG21 ILE 28 1HG2 ILE 28 -0.642 2.002 -25.232 238 HG22 ILE 28 2HG2 ILE 28 -1.261 0.669 -24.259 239 HG23 ILE 28 3HG2 ILE 28 -2.112 1.161 -25.722 240 HD11 ILE 28 3HD1 ILE 28 -3.259 4.301 -22.536 241 HD12 ILE 28 1HD1 ILE 28 -1.910 4.121 -21.413 242 HD13 ILE 28 2HD1 ILE 28 -1.923 5.452 -22.572 243 H GLU 29 H GLU 29 -2.904 2.241 -27.256 244 HA GLU 29 HA GLU 29 -0.963 4.106 -28.100 245 HB2 GLU 29 2HB GLU 29 -1.401 3.125 -30.384 246 HB3 GLU 29 3HB GLU 29 -0.969 1.966 -29.135 247 HG2 GLU 29 2HG GLU 29 -2.968 0.941 -29.201 248 HG3 GLU 29 3HG GLU 29 -3.850 2.442 -29.478 249 H THR 30 H THR 30 -4.445 4.008 -28.381 250 HA THR 30 HA THR 30 -4.755 5.966 -30.385 251 HB THR 30 HB THR 30 -6.574 4.442 -29.647 252 HG1 THR 30 HG1 THR 30 -7.095 6.363 -30.783 253 HG21 THR 30 3HG2 THR 30 -5.956 5.476 -27.103 254 HG22 THR 30 1HG2 THR 30 -7.223 4.323 -27.518 255 HG23 THR 30 2HG2 THR 30 -7.577 6.050 -27.491 256 H PHE 31 H PHE 31 -3.851 6.195 -27.090 257 HA PHE 31 HA PHE 31 -4.643 8.976 -26.826 258 HB2 PHE 31 2HB PHE 31 -2.999 7.295 -24.925 259 HB3 PHE 31 3HB PHE 31 -3.791 8.826 -24.568 260 HD1 PHE 31 HD1 PHE 31 -6.378 8.151 -26.088 261 HD2 PHE 31 HD2 PHE 31 -4.064 6.034 -23.211 262 HE1 PHE 31 HE1 PHE 31 -8.393 6.939 -25.364 263 HE2 PHE 31 HE2 PHE 31 -6.075 4.819 -22.482 264 HZ PHE 31 HZ PHE 31 -8.243 5.270 -23.559 265 H GLU 32 H GLU 32 -3.160 10.690 -26.446 266 HA GLU 32 HA GLU 32 -0.390 10.182 -27.275 267 HB2 GLU 32 2HB GLU 32 -2.262 12.251 -28.421 268 HB3 GLU 32 3HB GLU 32 -0.515 12.354 -28.587 269 HG2 GLU 32 2HG GLU 32 -0.668 10.003 -29.593 270 HG3 GLU 32 3HG GLU 32 -2.392 10.334 -29.748 271 H MET 33 H MET 33 1.027 11.050 -25.916 272 HA MET 33 HA MET 33 0.310 12.437 -23.610 273 HB2 MET 33 2HB MET 33 2.494 11.169 -24.200 274 HB3 MET 33 3HB MET 33 3.035 12.714 -24.844 275 HG2 MET 33 2HG MET 33 2.122 13.453 -22.400 276 HG3 MET 33 3HG MET 33 2.719 11.828 -22.072 277 HE1 MET 33 3HE MET 33 3.906 15.249 -21.430 278 HE2 MET 33 1HE MET 33 3.879 13.796 -20.430 279 HE3 MET 33 2HE MET 33 5.419 14.535 -20.870 280 H VAL 34 H VAL 34 -0.557 14.396 -23.486 281 HA VAL 34 HA VAL 34 -0.062 16.381 -25.540 282 HB VAL 34 HB VAL 34 -1.776 16.527 -23.055 283 HG11 VAL 34 1HG1 VAL 34 -1.481 18.413 -25.387 284 HG12 VAL 34 2HG1 VAL 34 -2.806 18.481 -24.224 285 HG13 VAL 34 3HG1 VAL 34 -1.146 18.745 -23.688 286 HG21 VAL 34 3HG2 VAL 34 -2.691 14.894 -24.514 287 HG22 VAL 34 1HG2 VAL 34 -3.635 16.365 -24.751 288 HG23 VAL 34 2HG2 VAL 34 -2.410 15.904 -25.932 289 H GLY 35 H GLY 35 0.195 16.312 -21.976 290 HA2 GLY 35 2HA GLY 35 2.719 17.694 -22.059 291 HA3 GLY 35 3HA GLY 35 1.398 18.708 -21.498 292 H THR 36 H THR 36 3.003 18.677 -19.613 293 HA THR 36 HA THR 36 2.011 16.726 -17.682 294 HB THR 36 HB THR 36 4.505 16.686 -16.807 295 HG1 THR 36 HG1 THR 36 5.323 18.022 -18.481 296 HG21 THR 36 3HG2 THR 36 4.863 14.642 -18.341 297 HG22 THR 36 1HG2 THR 36 3.254 15.010 -18.961 298 HG23 THR 36 2HG2 THR 36 3.476 14.636 -17.251 299 H LEU 37 H LEU 37 1.861 17.499 -15.613 300 HA LEU 37 HA LEU 37 2.659 20.308 -15.225 301 HB2 LEU 37 2HB LEU 37 0.207 19.817 -15.272 302 HB3 LEU 37 3HB LEU 37 0.435 18.832 -13.829 303 HG LEU 37 HG LEU 37 -0.475 21.186 -13.507 304 HD11 LEU 37 1HD1 LEU 37 1.822 21.253 -11.792 305 HD12 LEU 37 2HD1 LEU 37 1.241 19.597 -11.963 306 HD13 LEU 37 3HD1 LEU 37 0.147 20.862 -11.404 307 HD21 LEU 37 3HD2 LEU 37 2.296 22.198 -13.519 308 HD22 LEU 37 1HD2 LEU 37 0.783 23.017 -13.904 309 HD23 LEU 37 2HD2 LEU 37 1.545 21.966 -15.098 310 H SER 38 H SER 38 3.741 20.893 -13.391 311 HA SER 38 HA SER 38 4.229 18.870 -11.336 312 HB2 SER 38 2HB SER 38 6.548 18.889 -11.510 313 HB3 SER 38 3HB SER 38 6.065 18.963 -13.204 314 HG SER 38 HG SER 38 7.233 20.704 -13.251 315 H ASN 39 H ASN 39 4.107 19.705 -9.356 316 HA ASN 39 HA ASN 39 5.066 22.287 -8.660 317 HB2 ASN 39 2HB ASN 39 3.038 23.455 -8.236 318 HB3 ASN 39 3HB ASN 39 2.898 22.817 -9.871 319 HD21 ASN 39 1HD2 ASN 39 2.077 20.352 -9.672 320 HD22 ASN 39 2HD2 ASN 39 0.590 20.220 -8.802 321 H ALA 40 H ALA 40 3.716 22.849 -6.391 322 HA ALA 40 HA ALA 40 4.750 21.121 -4.504 323 HB1 ALA 40 1HB ALA 40 4.181 23.201 -3.675 324 HB2 ALA 40 2HB ALA 40 2.575 23.169 -4.405 325 HB3 ALA 40 3HB ALA 40 2.922 22.173 -2.991 326 H GLN 41 H GLN 41 1.606 21.052 -6.081 327 HA GLN 41 HA GLN 41 0.394 19.119 -4.429 328 HB2 GLN 41 2HB GLN 41 -0.160 20.385 -7.008 329 HB3 GLN 41 3HB GLN 41 -0.745 18.730 -6.907 330 HG2 GLN 41 2HG GLN 41 -1.367 20.866 -4.883 331 HG3 GLN 41 3HG GLN 41 -2.406 20.453 -6.246 332 HE21 GLN 41 1HE2 GLN 41 -3.834 18.870 -5.998 333 HE22 GLN 41 2HE2 GLN 41 -3.894 17.774 -4.664 334 H GLY 42 H GLY 42 2.569 18.871 -7.162 335 HA2 GLY 42 2HA GLY 42 3.891 16.671 -6.847 336 HA3 GLY 42 3HA GLY 42 2.315 15.941 -7.115 337 H THR 43 H THR 43 3.186 14.856 -8.947 338 HA THR 43 HA THR 43 3.551 16.614 -11.286 339 HB THR 43 HB THR 43 4.585 13.823 -11.365 340 HG1 THR 43 HG1 THR 43 6.390 14.336 -10.199 341 HG21 THR 43 3HG2 THR 43 4.708 15.294 -13.327 342 HG22 THR 43 1HG2 THR 43 6.315 14.865 -12.741 343 HG23 THR 43 2HG2 THR 43 5.645 16.459 -12.392 344 H PHE 44 H PHE 44 1.856 16.557 -12.596 345 HA PHE 44 HA PHE 44 0.307 14.061 -12.793 346 HB2 PHE 44 2HB PHE 44 -0.647 16.838 -13.504 347 HB3 PHE 44 3HB PHE 44 -1.620 15.378 -13.360 348 HD1 PHE 44 HD2 PHE 44 0.288 17.907 -11.487 349 HD2 PHE 44 HD1 PHE 44 -2.411 14.625 -11.254 350 HE1 PHE 44 HE2 PHE 44 -0.150 18.441 -9.126 351 HE2 PHE 44 HE1 PHE 44 -2.855 15.153 -8.892 352 HZ PHE 44 HZ PHE 44 -1.723 17.062 -7.824 353 H ALA 45 H ALA 45 -0.573 13.508 -14.887 354 HA ALA 45 HA ALA 45 1.085 14.515 -17.108 355 HB1 ALA 45 1HB ALA 45 0.142 12.002 -17.854 356 HB2 ALA 45 2HB ALA 45 1.783 12.420 -17.359 357 HB3 ALA 45 3HB ALA 45 0.626 11.827 -16.167 358 H LEU 46 H LEU 46 0.065 15.305 -18.845 359 HA LEU 46 HA LEU 46 -2.865 15.075 -18.925 360 HB2 LEU 46 2HB LEU 46 -1.306 17.063 -20.521 361 HB3 LEU 46 3HB LEU 46 -2.968 17.155 -19.943 362 HG LEU 46 HG LEU 46 -0.452 17.540 -18.327 363 HD11 LEU 46 1HD1 LEU 46 -1.445 19.368 -19.876 364 HD12 LEU 46 2HD1 LEU 46 -1.001 19.781 -18.220 365 HD13 LEU 46 3HD1 LEU 46 -2.691 19.495 -18.634 366 HD21 LEU 46 3HD2 LEU 46 -1.626 16.811 -16.580 367 HD22 LEU 46 1HD2 LEU 46 -3.121 16.744 -17.513 368 HD23 LEU 46 2HD2 LEU 46 -2.616 18.259 -16.766 369 H VAL 47 H VAL 47 -3.688 13.746 -20.386 370 HA VAL 47 HA VAL 47 -2.236 13.360 -22.922 371 HB VAL 47 HB VAL 47 -2.138 11.375 -21.357 372 HG11 VAL 47 1HG1 VAL 47 -4.117 9.984 -21.152 373 HG12 VAL 47 2HG1 VAL 47 -4.422 11.584 -20.473 374 HG13 VAL 47 3HG1 VAL 47 -5.063 11.161 -22.062 375 HG21 VAL 47 3HG2 VAL 47 -3.556 10.827 -23.957 376 HG22 VAL 47 1HG2 VAL 47 -1.858 11.291 -23.849 377 HG23 VAL 47 2HG2 VAL 47 -2.410 9.786 -23.113 378 H LYS 48 H LYS 48 -3.583 12.742 -24.745 379 HA LYS 48 HA LYS 48 -6.362 13.686 -24.473 380 HB2 LYS 48 2HB LYS 48 -5.074 15.341 -25.683 381 HB3 LYS 48 3HB LYS 48 -4.438 14.109 -26.765 382 HG2 LYS 48 2HG LYS 48 -6.802 13.695 -27.512 383 HG3 LYS 48 3HG LYS 48 -7.259 15.134 -26.596 384 HD2 LYS 48 2HD LYS 48 -5.554 16.405 -27.932 385 HD3 LYS 48 3HD LYS 48 -5.367 14.966 -28.938 386 HE2 LYS 48 2HE LYS 48 -7.717 15.064 -29.548 387 HE3 LYS 48 3HE LYS 48 -7.954 16.453 -28.488 388 HZ1 LYS 48 3HZ LYS 48 -7.275 16.523 -31.141 389 HZ2 LYS 48 1HZ LYS 48 -5.833 16.894 -30.337 390 HZ3 LYS 48 2HZ LYS 48 -7.220 17.819 -30.056 391 H GLY 49 H GLY 49 -7.957 12.542 -25.512 392 HA2 GLY 49 2HA GLY 49 -7.609 10.665 -27.551 393 HA3 GLY 49 3HA GLY 49 -7.485 9.804 -26.023 394 H ALA 50 H ALA 50 -9.351 8.631 -26.178 395 HA ALA 50 HA ALA 50 -11.818 9.434 -27.107 396 HB1 ALA 50 1HB ALA 50 -12.691 7.526 -26.148 397 HB2 ALA 50 2HB ALA 50 -10.978 7.122 -26.260 398 HB3 ALA 50 3HB ALA 50 -11.662 7.644 -24.721 399 H GLY 51 H GLY 51 -13.026 11.113 -26.530 400 HA2 GLY 51 2HA GLY 51 -14.517 12.087 -24.911 401 HA3 GLY 51 3HA GLY 51 -13.360 11.668 -23.656 402 H GLY 52 H GLY 52 -11.034 12.634 -25.042 403 HA2 GLY 52 2HA GLY 52 -10.683 14.960 -26.112 404 HA3 GLY 52 3HA GLY 52 -11.502 15.514 -24.658 405 H VAL 53 H VAL 53 -10.404 15.597 -22.731 406 HA VAL 53 HA VAL 53 -7.533 14.937 -22.865 407 HB VAL 53 HB VAL 53 -7.310 16.772 -21.087 408 HG11 VAL 53 1HG1 VAL 53 -6.949 18.446 -22.736 409 HG12 VAL 53 2HG1 VAL 53 -6.585 16.893 -23.492 410 HG13 VAL 53 3HG1 VAL 53 -8.113 17.706 -23.834 411 HG21 VAL 53 3HG2 VAL 53 -9.924 16.829 -20.938 412 HG22 VAL 53 1HG2 VAL 53 -8.987 18.313 -20.761 413 HG23 VAL 53 2HG2 VAL 53 -9.774 17.944 -22.296 414 H HIS 54 H HIS 54 -6.641 13.804 -21.216 415 HA HIS 54 HA HIS 54 -8.374 13.150 -18.926 416 HB2 HIS 54 2HB HIS 54 -6.391 11.137 -19.864 417 HB3 HIS 54 3HB HIS 54 -7.960 10.898 -19.100 418 HD1 HIS 54 HD1 HIS 54 -6.561 9.915 -22.016 419 HD2 HIS 54 HD2 HIS 54 -9.920 12.245 -21.276 420 HE1 HIS 54 HE1 HIS 54 -7.970 9.741 -24.091 421 H ARG 55 H ARG 55 -7.495 13.454 -16.977 422 HA ARG 55 HA ARG 55 -4.634 14.111 -16.855 423 HB2 ARG 55 2HB ARG 55 -6.938 14.830 -15.041 424 HB3 ARG 55 3HB ARG 55 -5.257 15.154 -14.641 425 HG2 ARG 55 2HG ARG 55 -5.288 16.330 -17.004 426 HG3 ARG 55 3HG ARG 55 -7.014 16.442 -16.654 427 HD2 ARG 55 2HD ARG 55 -6.697 17.833 -14.853 428 HD3 ARG 55 3HD ARG 55 -5.065 17.241 -14.548 429 HE ARG 55 HE ARG 55 -4.272 18.887 -15.912 430 HH11 ARG 55 1HH1 ARG 55 -7.644 18.385 -16.617 431 HH12 ARG 55 2HH1 ARG 55 -7.745 19.714 -17.723 432 HH21 ARG 55 1HH2 ARG 55 -4.392 20.640 -17.366 433 HH22 ARG 55 2HH2 ARG 55 -5.894 20.996 -18.149 434 H VAL 56 H VAL 56 -3.298 12.681 -15.985 435 HA VAL 56 HA VAL 56 -4.213 10.989 -13.784 436 HB VAL 56 HB VAL 56 -3.011 9.024 -14.866 437 HG11 VAL 56 1HG1 VAL 56 -4.995 8.214 -15.637 438 HG12 VAL 56 2HG1 VAL 56 -5.590 9.642 -14.788 439 HG13 VAL 56 3HG1 VAL 56 -5.372 9.683 -16.538 440 HG21 VAL 56 3HG2 VAL 56 -3.529 10.479 -17.441 441 HG22 VAL 56 1HG2 VAL 56 -1.966 10.554 -16.627 442 HG23 VAL 56 2HG2 VAL 56 -2.601 9.003 -17.175 443 H ARG 57 H ARG 57 -2.706 10.711 -12.245 444 HA ARG 57 HA ARG 57 -0.001 11.722 -12.811 445 HB2 ARG 57 2HB ARG 57 0.181 12.174 -10.413 446 HB3 ARG 57 3HB ARG 57 -1.217 12.988 -11.103 447 HG2 ARG 57 2HG ARG 57 -2.479 10.838 -10.301 448 HG3 ARG 57 3HG ARG 57 -1.098 10.695 -9.212 449 HD2 ARG 57 2HD ARG 57 -2.397 11.995 -7.891 450 HD3 ARG 57 3HD ARG 57 -1.665 13.282 -8.847 451 HE ARG 57 HE ARG 57 -3.701 13.669 -9.840 452 HH11 ARG 57 1HH1 ARG 57 -3.806 10.662 -8.088 453 HH12 ARG 57 2HH1 ARG 57 -5.520 10.474 -8.254 454 HH21 ARG 57 1HH2 ARG 57 -5.958 13.434 -10.065 455 HH22 ARG 57 2HH2 ARG 57 -6.743 12.051 -9.379 456 H VAL 58 H VAL 58 1.598 10.737 -11.051 457 HA VAL 58 HA VAL 58 2.170 8.147 -11.778 458 HB VAL 58 HB VAL 58 2.856 9.444 -9.136 459 HG11 VAL 58 1HG1 VAL 58 3.313 7.142 -8.923 460 HG12 VAL 58 2HG1 VAL 58 3.952 7.036 -10.564 461 HG13 VAL 58 3HG1 VAL 58 4.857 7.895 -9.317 462 HG21 VAL 58 3HG2 VAL 58 4.073 9.603 -11.867 463 HG22 VAL 58 1HG2 VAL 58 3.710 10.900 -10.728 464 HG23 VAL 58 2HG2 VAL 58 5.068 9.817 -10.427 465 H GLY 59 H GLY 59 1.100 6.313 -11.480 466 HA2 GLY 59 2HA GLY 59 0.404 4.635 -9.844 467 HA3 GLY 59 3HA GLY 59 -0.339 5.938 -8.928 468 H ASP 60 H ASP 60 -1.425 7.201 -11.357 469 HA ASP 60 HA ASP 60 -3.959 6.024 -11.371 470 HB2 ASP 60 2HB ASP 60 -2.589 8.010 -13.156 471 HB3 ASP 60 3HB ASP 60 -4.189 7.404 -13.574 472 H TYR 61 H TYR 61 -5.039 5.389 -13.560 473 HA TYR 61 HA TYR 61 -3.289 3.564 -15.054 474 HB2 TYR 61 2HB TYR 61 -6.056 2.784 -14.133 475 HB3 TYR 61 3HB TYR 61 -4.846 1.758 -14.894 476 HD1 TYR 61 HD1 TYR 61 -5.766 3.510 -11.784 477 HD2 TYR 61 HD2 TYR 61 -3.102 0.741 -13.611 478 HE1 TYR 61 HE1 TYR 61 -4.947 2.842 -9.563 479 HE2 TYR 61 HE2 TYR 61 -2.277 0.064 -11.395 480 HH TYR 61 HH TYR 61 -3.840 0.976 -8.494 481 H LEU 62 H LEU 62 -3.744 3.353 -17.204 482 HA LEU 62 HA LEU 62 -6.196 4.515 -18.272 483 HB2 LEU 62 2HB LEU 62 -3.447 5.572 -18.713 484 HB3 LEU 62 3HB LEU 62 -4.592 5.610 -20.053 485 HG LEU 62 HG LEU 62 -4.979 6.934 -17.369 486 HD11 LEU 62 1HD1 LEU 62 -4.457 8.177 -20.063 487 HD12 LEU 62 2HD1 LEU 62 -3.238 7.963 -18.806 488 HD13 LEU 62 3HD1 LEU 62 -4.628 9.010 -18.517 489 HD21 LEU 62 3HD2 LEU 62 -7.105 6.294 -18.249 490 HD22 LEU 62 1HD2 LEU 62 -6.675 6.873 -19.859 491 HD23 LEU 62 2HD2 LEU 62 -6.899 8.022 -18.539 492 H GLY 63 H GLY 63 -6.632 3.902 -20.468 493 HA2 GLY 63 2HA GLY 63 -6.482 2.556 -22.347 494 HA3 GLY 63 3HA GLY 63 -4.886 2.050 -21.814 495 H ARG 64 H ARG 64 -6.752 0.292 -22.933 496 HA ARG 64 HA ARG 64 -8.177 -1.131 -20.914 497 HB2 ARG 64 2HB ARG 64 -7.609 -1.477 -23.799 498 HB3 ARG 64 3HB ARG 64 -7.949 -2.949 -22.898 499 HG2 ARG 64 2HG ARG 64 -10.075 -2.026 -22.159 500 HG3 ARG 64 3HG ARG 64 -9.731 -0.524 -23.019 501 HD2 ARG 64 2HD ARG 64 -10.117 -1.449 -25.069 502 HD3 ARG 64 3HD ARG 64 -9.606 -3.058 -24.559 503 HE ARG 64 HE ARG 64 -12.255 -2.040 -24.561 504 HH11 ARG 64 1HH1 ARG 64 -10.090 -4.111 -22.789 505 HH12 ARG 64 2HH1 ARG 64 -11.357 -5.094 -22.134 506 HH21 ARG 64 1HH2 ARG 64 -13.933 -3.327 -23.705 507 HH22 ARG 64 2HH2 ARG 64 -13.542 -4.648 -22.657 508 H ASN 65 H ASN 65 -4.917 -0.932 -21.670 509 HA ASN 65 HA ASN 65 -4.289 -3.649 -20.814 510 HB2 ASN 65 2HB ASN 65 -2.435 -1.412 -21.663 511 HB3 ASN 65 3HB ASN 65 -1.977 -3.090 -21.388 512 HD21 ASN 65 1HD2 ASN 65 -3.685 -4.589 -22.644 513 HD22 ASN 65 2HD2 ASN 65 -3.788 -4.214 -24.327 514 H ASP 66 H ASP 66 -5.361 -1.336 -19.100 515 HA ASP 66 HA ASP 66 -5.064 -0.475 -17.009 516 HB2 ASP 66 2HB ASP 66 -3.775 -3.184 -16.838 517 HB3 ASP 66 3HB ASP 66 -3.794 -2.112 -15.441 518 H GLY 67 H GLY 67 -3.307 0.615 -18.839 519 HA2 GLY 67 2HA GLY 67 -0.593 0.523 -18.183 520 HA3 GLY 67 3HA GLY 67 -1.401 1.889 -18.938 521 H LYS 68 H LYS 68 -0.100 0.589 -16.027 522 HA LYS 68 HA LYS 68 -1.144 2.717 -14.357 523 HB2 LYS 68 2HB LYS 68 -0.884 0.474 -13.415 524 HB3 LYS 68 3HB LYS 68 0.841 0.516 -13.757 525 HG2 LYS 68 2HG LYS 68 0.869 2.604 -12.252 526 HG3 LYS 68 3HG LYS 68 -0.709 2.037 -11.699 527 HD2 LYS 68 2HD LYS 68 0.910 1.168 -10.190 528 HD3 LYS 68 3HD LYS 68 0.380 -0.177 -11.203 529 HE2 LYS 68 2HE LYS 68 2.367 0.021 -12.566 530 HE3 LYS 68 3HE LYS 68 2.875 1.453 -11.672 531 HZ1 LYS 68 3HZ LYS 68 2.510 -0.458 -9.753 532 HZ2 LYS 68 1HZ LYS 68 3.995 0.059 -10.377 533 HZ3 LYS 68 2HZ LYS 68 3.233 -1.304 -11.027 534 H VAL 69 H VAL 69 -0.207 4.631 -14.125 535 HA VAL 69 HA VAL 69 2.224 5.303 -15.417 536 HB VAL 69 HB VAL 69 0.717 6.858 -13.310 537 HG11 VAL 69 1HG1 VAL 69 3.011 7.632 -13.568 538 HG12 VAL 69 2HG1 VAL 69 2.784 7.759 -15.314 539 HG13 VAL 69 3HG1 VAL 69 1.876 8.810 -14.226 540 HG21 VAL 69 3HG2 VAL 69 0.085 8.122 -15.548 541 HG22 VAL 69 1HG2 VAL 69 0.364 6.524 -16.241 542 HG23 VAL 69 2HG2 VAL 69 -0.844 6.737 -14.974 543 H VAL 70 H VAL 70 4.252 5.107 -14.741 544 HA VAL 70 HA VAL 70 4.742 4.756 -11.854 545 HB VAL 70 HB VAL 70 6.535 3.243 -12.320 546 HG11 VAL 70 1HG1 VAL 70 4.888 1.847 -14.170 547 HG12 VAL 70 2HG1 VAL 70 5.058 1.591 -12.433 548 HG13 VAL 70 3HG1 VAL 70 3.847 2.717 -13.044 549 HG21 VAL 70 3HG2 VAL 70 7.444 4.263 -14.311 550 HG22 VAL 70 1HG2 VAL 70 7.098 2.563 -14.632 551 HG23 VAL 70 2HG2 VAL 70 6.011 3.814 -15.236 552 H GLY 71 H GLY 71 5.744 6.236 -14.851 553 HA2 GLY 71 2HA GLY 71 7.548 7.976 -13.308 554 HA3 GLY 71 3HA GLY 71 8.126 7.224 -14.788 555 H ILE 72 H ILE 72 7.511 10.087 -13.853 556 HA ILE 72 HA ILE 72 6.040 10.846 -16.287 557 HB ILE 72 HB ILE 72 5.769 12.121 -13.563 558 HG12 ILE 72 2HG1 ILE 72 3.707 10.756 -15.306 559 HG13 ILE 72 3HG1 ILE 72 4.498 10.008 -13.923 560 HG21 ILE 72 1HG2 ILE 72 5.379 14.003 -14.699 561 HG22 ILE 72 2HG2 ILE 72 5.290 13.153 -16.241 562 HG23 ILE 72 3HG2 ILE 72 3.868 13.244 -15.203 563 HD11 ILE 72 3HD1 ILE 72 3.560 11.891 -12.533 564 HD12 ILE 72 1HD1 ILE 72 2.578 12.313 -13.936 565 HD13 ILE 72 2HD1 ILE 72 2.394 10.733 -13.172 566 H SER 73 H SER 73 7.541 11.713 -17.569 567 HA SER 73 HA SER 73 9.627 13.406 -16.397 568 HB2 SER 73 2HB SER 73 9.527 12.564 -19.283 569 HB3 SER 73 3HB SER 73 10.930 12.989 -18.303 570 HG SER 73 HG SER 73 11.054 10.997 -17.646 571 H GLU 74 H GLU 74 10.303 15.009 -18.487 572 HA GLU 74 HA GLU 74 8.066 16.874 -18.523 573 HB2 GLU 74 2HB GLU 74 9.702 18.513 -19.316 574 HB3 GLU 74 3HB GLU 74 10.264 17.713 -17.854 575 HG2 GLU 74 2HG GLU 74 11.774 16.344 -19.105 576 HG3 GLU 74 3HG GLU 74 11.116 16.933 -20.631 577 H GLY 75 H GLY 75 9.703 14.686 -20.614 578 HA2 GLY 75 2HA GLY 75 8.028 15.634 -22.848 579 HA3 GLY 75 3HA GLY 75 9.731 15.280 -23.104 580 H LYS 76 H LYS 76 8.131 13.277 -20.841 581 HA LYS 76 HA LYS 76 7.074 11.339 -22.621 582 HB2 LYS 76 2HB LYS 76 8.787 9.562 -22.162 583 HB3 LYS 76 3HB LYS 76 9.341 10.859 -23.213 584 HG2 LYS 76 2HG LYS 76 10.466 11.902 -21.283 585 HG3 LYS 76 3HG LYS 76 9.969 10.533 -20.286 586 HD2 LYS 76 2HD LYS 76 11.137 9.128 -22.159 587 HD3 LYS 76 3HD LYS 76 11.969 10.646 -22.503 588 HE2 LYS 76 2HE LYS 76 12.922 10.725 -20.347 589 HE3 LYS 76 3HE LYS 76 11.839 9.476 -19.737 590 HZ1 LYS 76 3HZ LYS 76 13.703 8.860 -21.930 591 HZ2 LYS 76 1HZ LYS 76 13.016 7.818 -20.788 592 HZ3 LYS 76 2HZ LYS 76 14.259 8.871 -20.332 593 H ILE 77 H ILE 77 6.190 9.513 -21.525 594 HA ILE 77 HA ILE 77 6.240 9.676 -18.590 595 HB ILE 77 HB ILE 77 3.713 9.126 -20.134 596 HG12 ILE 77 2HG1 ILE 77 4.470 11.414 -20.628 597 HG13 ILE 77 3HG1 ILE 77 3.022 11.422 -19.627 598 HG21 ILE 77 1HG2 ILE 77 3.911 8.281 -17.805 599 HG22 ILE 77 2HG2 ILE 77 4.128 9.945 -17.264 600 HG23 ILE 77 3HG2 ILE 77 2.614 9.456 -18.025 601 HD11 ILE 77 3HD1 ILE 77 5.283 12.867 -19.160 602 HD12 ILE 77 1HD1 ILE 77 4.054 12.475 -17.957 603 HD13 ILE 77 2HD1 ILE 77 5.503 11.477 -18.097 604 H ASP 78 H ASP 78 6.859 7.806 -17.757 605 HA ASP 78 HA ASP 78 6.699 5.378 -19.356 606 HB2 ASP 78 2HB ASP 78 8.122 6.120 -16.811 607 HB3 ASP 78 3HB ASP 78 7.977 4.438 -17.314 608 H VAL 79 H VAL 79 5.209 3.853 -19.087 609 HA VAL 79 HA VAL 79 3.833 3.607 -16.515 610 HB VAL 79 HB VAL 79 1.647 3.597 -17.458 611 HG11 VAL 79 1HG1 VAL 79 3.020 5.829 -17.167 612 HG12 VAL 79 2HG1 VAL 79 2.776 5.934 -18.912 613 HG13 VAL 79 3HG1 VAL 79 1.386 5.839 -17.830 614 HG21 VAL 79 3HG2 VAL 79 3.103 3.221 -19.968 615 HG22 VAL 79 1HG2 VAL 79 1.480 2.704 -19.507 616 HG23 VAL 79 2HG2 VAL 79 1.751 4.348 -20.085 617 H ILE 80 H ILE 80 2.929 1.560 -16.118 618 HA ILE 80 HA ILE 80 4.096 -0.564 -17.758 619 HB ILE 80 HB ILE 80 3.168 -0.395 -14.930 620 HG12 ILE 80 2HG1 ILE 80 5.568 -0.149 -15.671 621 HG13 ILE 80 3HG1 ILE 80 5.288 -1.399 -14.465 622 HG21 ILE 80 1HG2 ILE 80 1.878 -2.253 -15.581 623 HG22 ILE 80 2HG2 ILE 80 3.164 -2.889 -16.605 624 HG23 ILE 80 3HG2 ILE 80 3.334 -2.929 -14.850 625 HD11 ILE 80 3HD1 ILE 80 5.439 -3.114 -16.127 626 HD12 ILE 80 1HD1 ILE 80 5.528 -1.915 -17.417 627 HD13 ILE 80 2HD1 ILE 80 6.850 -2.065 -16.259 628 H GLU 81 H GLU 81 2.871 -1.481 -19.256 629 HA GLU 81 HA GLU 81 -0.038 -1.616 -18.810 630 HB2 GLU 81 2HB GLU 81 1.371 -1.742 -21.476 631 HB3 GLU 81 3HB GLU 81 -0.353 -1.556 -21.185 632 HG2 GLU 81 2HG GLU 81 0.419 0.614 -19.929 633 HG3 GLU 81 3HG GLU 81 1.836 0.442 -20.964 634 H ILE 82 H ILE 82 -1.141 -3.503 -19.702 635 HA ILE 82 HA ILE 82 0.506 -5.912 -19.388 636 HB ILE 82 HB ILE 82 -2.438 -5.409 -19.049 637 HG12 ILE 82 2HG1 ILE 82 -1.939 -6.545 -16.846 638 HG13 ILE 82 3HG1 ILE 82 -0.236 -6.493 -17.286 639 HG21 ILE 82 1HG2 ILE 82 -2.638 -7.408 -20.146 640 HG22 ILE 82 2HG2 ILE 82 -1.042 -7.967 -19.649 641 HG23 ILE 82 3HG2 ILE 82 -2.379 -7.980 -18.499 642 HD11 ILE 82 3HD1 ILE 82 -0.152 -4.170 -17.145 643 HD12 ILE 82 1HD1 ILE 82 -1.907 -4.011 -17.211 644 HD13 ILE 82 2HD1 ILE 82 -1.134 -4.660 -15.765 645 H VAL 83 H VAL 83 0.744 -7.375 -20.983 646 HA VAL 83 HA VAL 83 -0.948 -7.191 -23.365 647 HB VAL 83 HB VAL 83 1.080 -7.412 -24.824 648 HG11 VAL 83 1HG1 VAL 83 1.349 -4.825 -23.382 649 HG12 VAL 83 2HG1 VAL 83 1.233 -5.150 -25.113 650 HG13 VAL 83 3HG1 VAL 83 -0.211 -5.224 -24.102 651 HG21 VAL 83 3HG2 VAL 83 3.218 -6.536 -23.814 652 HG22 VAL 83 1HG2 VAL 83 2.471 -6.766 -22.233 653 HG23 VAL 83 2HG2 VAL 83 2.738 -8.151 -23.293 654 HA PRO 84 HA PRO 84 -0.822 -11.580 -23.275 655 HB2 PRO 84 2HB PRO 84 -1.091 -12.161 -25.914 656 HB3 PRO 84 3HB PRO 84 -2.418 -11.537 -24.927 657 HG2 PRO 84 2HG PRO 84 -0.612 -10.076 -26.816 658 HG3 PRO 84 3HG PRO 84 -2.366 -9.926 -26.604 659 HD2 PRO 84 2HD PRO 84 -0.613 -8.164 -25.530 660 HD3 PRO 84 3HD PRO 84 -2.153 -8.575 -24.748 661 H ASP 85 H ASP 85 0.511 -13.360 -23.629 662 HA ASP 85 HA ASP 85 3.228 -12.701 -24.436 663 HB2 ASP 85 2HB ASP 85 2.567 -14.021 -22.319 664 HB3 ASP 85 3HB ASP 85 2.310 -15.378 -23.412 665 H GLY 86 H GLY 86 0.816 -15.223 -25.180 666 HA2 GLY 86 2HA GLY 86 0.822 -15.244 -27.858 667 HA3 GLY 86 3HA GLY 86 2.343 -16.053 -27.509 668 H GLU 87 H GLU 87 0.946 -17.099 -24.973 669 HA GLU 87 HA GLU 87 -0.307 -19.393 -26.315 670 HB2 GLU 87 2HB GLU 87 0.638 -19.344 -23.458 671 HB3 GLU 87 3HB GLU 87 0.343 -20.739 -24.487 672 HG2 GLU 87 2HG GLU 87 2.548 -18.735 -24.910 673 HG3 GLU 87 3HG GLU 87 2.736 -20.288 -24.097 674 H GLY 88 H GLY 88 -0.852 -16.837 -24.035 675 HA2 GLY 88 2HA GLY 88 -3.454 -16.496 -24.088 676 HA3 GLY 88 3HA GLY 88 -3.401 -18.001 -23.182 677 H ASN 89 H ASN 89 -0.693 -16.795 -22.141 678 HA ASN 89 HA ASN 89 -1.929 -15.579 -19.802 679 HB2 ASN 89 2HB ASN 89 1.024 -16.018 -20.090 680 HB3 ASN 89 3HB ASN 89 0.025 -16.083 -18.640 681 HD21 ASN 89 1HD2 ASN 89 1.117 -17.791 -21.453 682 HD22 ASN 89 2HD2 ASN 89 0.568 -19.356 -20.968 683 H TRP 90 H TRP 90 -1.184 -13.586 -18.903 684 HA TRP 90 HA TRP 90 -0.300 -11.696 -20.970 685 HB2 TRP 90 2HB TRP 90 -1.650 -11.132 -18.321 686 HB3 TRP 90 3HB TRP 90 -1.285 -9.949 -19.574 687 HD1 TRP 90 HD1 TRP 90 -3.608 -12.946 -18.897 688 HE1 TRP 90 HE1 TRP 90 -5.654 -12.747 -20.446 689 HE3 TRP 90 HE3 TRP 90 -2.119 -8.937 -21.698 690 HZ2 TRP 90 HZ2 TRP 90 -6.522 -11.108 -22.574 691 HZ3 TRP 90 HZ3 TRP 90 -3.615 -8.116 -23.471 692 HH2 TRP 90 HH2 TRP 90 -5.770 -9.181 -23.899 693 H LEU 91 H LEU 91 1.178 -9.979 -20.355 694 HA LEU 91 HA LEU 91 2.835 -10.509 -18.007 695 HB2 LEU 91 2HB LEU 91 3.587 -11.114 -20.711 696 HB3 LEU 91 3HB LEU 91 4.634 -9.853 -20.064 697 HG LEU 91 HG LEU 91 5.681 -11.976 -19.713 698 HD11 LEU 91 1HD1 LEU 91 5.678 -10.202 -17.884 699 HD12 LEU 91 2HD1 LEU 91 6.143 -11.838 -17.420 700 HD13 LEU 91 3HD1 LEU 91 4.528 -11.240 -17.041 701 HD21 LEU 91 3HD2 LEU 91 3.770 -13.128 -17.859 702 HD22 LEU 91 1HD2 LEU 91 4.597 -13.862 -19.233 703 HD23 LEU 91 2HD2 LEU 91 3.105 -12.956 -19.484 704 H GLU 92 H GLU 92 4.417 -8.730 -17.620 705 HA GLU 92 HA GLU 92 3.090 -6.206 -17.865 706 HB2 GLU 92 2HB GLU 92 5.092 -5.333 -16.653 707 HB3 GLU 92 3HB GLU 92 4.286 -6.664 -15.836 708 HG2 GLU 92 2HG GLU 92 5.998 -8.145 -16.266 709 HG3 GLU 92 3HG GLU 92 6.597 -7.216 -17.638 710 H ARG 93 H ARG 93 3.862 -4.325 -18.893 711 HA ARG 93 HA ARG 93 6.074 -4.570 -20.763 712 HB2 ARG 93 2HB ARG 93 3.725 -5.280 -21.775 713 HB3 ARG 93 3HB ARG 93 3.526 -3.539 -21.920 714 HG2 ARG 93 2HG ARG 93 4.379 -4.329 -23.983 715 HG3 ARG 93 3HG ARG 93 5.695 -3.483 -23.166 716 HD2 ARG 93 2HD ARG 93 6.815 -5.454 -22.660 717 HD3 ARG 93 3HD ARG 93 5.365 -6.440 -22.846 718 HE ARG 93 HE ARG 93 5.959 -5.300 -25.324 719 HH11 ARG 93 1HH1 ARG 93 7.314 -7.596 -23.085 720 HH12 ARG 93 2HH1 ARG 93 8.118 -8.516 -24.313 721 HH21 ARG 93 1HH2 ARG 93 7.013 -6.503 -26.950 722 HH22 ARG 93 2HH2 ARG 93 7.947 -7.893 -26.511 723 HA PRO 94 HA PRO 94 5.983 -0.438 -18.825 724 HB2 PRO 94 2HB PRO 94 8.678 -0.120 -18.903 725 HB3 PRO 94 3HB PRO 94 7.853 -1.013 -17.620 726 HG2 PRO 94 2HG PRO 94 9.259 -2.054 -20.049 727 HG3 PRO 94 3HG PRO 94 9.313 -2.654 -18.381 728 HD2 PRO 94 2HD PRO 94 7.788 -3.810 -20.298 729 HD3 PRO 94 3HD PRO 94 7.311 -3.777 -18.588 730 H ARG 95 H ARG 95 5.032 0.617 -20.580 731 HA ARG 95 HA ARG 95 6.757 1.248 -22.866 732 HB2 ARG 95 2HB ARG 95 4.068 0.543 -22.704 733 HB3 ARG 95 3HB ARG 95 4.042 2.274 -23.015 734 HG2 ARG 95 2HG ARG 95 5.684 1.771 -24.910 735 HG3 ARG 95 3HG ARG 95 5.204 0.086 -24.697 736 HD2 ARG 95 2HD ARG 95 2.920 0.607 -25.181 737 HD3 ARG 95 3HD ARG 95 3.259 2.338 -25.165 738 HE ARG 95 HE ARG 95 3.734 0.491 -27.324 739 HH11 ARG 95 1HH1 ARG 95 4.588 3.559 -25.917 740 HH12 ARG 95 2HH1 ARG 95 5.159 4.232 -27.408 741 HH21 ARG 95 1HH2 ARG 95 4.484 1.365 -29.293 742 HH22 ARG 95 2HH2 ARG 95 5.099 2.983 -29.328 743 H SER 96 H SER 96 7.010 3.404 -23.588 744 HA SER 96 HA SER 96 6.465 5.441 -21.528 745 HB2 SER 96 2HB SER 96 8.722 6.076 -23.254 746 HB3 SER 96 3HB SER 96 8.628 6.054 -21.493 747 HG SER 96 HG SER 96 9.945 4.387 -22.935 748 H LEU 97 H LEU 97 5.178 7.017 -22.191 749 HA LEU 97 HA LEU 97 4.711 7.375 -25.052 750 HB2 LEU 97 2HB LEU 97 3.243 8.840 -22.897 751 HB3 LEU 97 3HB LEU 97 2.691 8.382 -24.507 752 HG LEU 97 HG LEU 97 3.011 6.581 -22.110 753 HD11 LEU 97 1HD1 LEU 97 0.491 6.905 -23.644 754 HD12 LEU 97 2HD1 LEU 97 0.974 8.205 -22.556 755 HD13 LEU 97 3HD1 LEU 97 0.741 6.573 -21.930 756 HD21 LEU 97 3HD2 LEU 97 1.882 4.937 -23.771 757 HD22 LEU 97 1HD2 LEU 97 3.628 5.172 -23.837 758 HD23 LEU 97 2HD2 LEU 97 2.585 5.979 -25.009 759 H THR 98 H THR 98 6.181 8.687 -25.955 760 HA THR 98 HA THR 98 7.332 10.916 -24.555 761 HB THR 98 HB THR 98 8.378 11.427 -26.797 762 HG1 THR 98 HG1 THR 98 8.172 9.500 -28.257 763 HG21 THR 98 3HG2 THR 98 9.809 9.362 -26.783 764 HG22 THR 98 1HG2 THR 98 8.715 8.689 -25.576 765 HG23 THR 98 2HG2 THR 98 9.636 10.149 -25.215 766 H LEU 99 H LEU 99 7.011 13.098 -24.928 767 HA LEU 99 HA LEU 99 4.453 14.013 -25.393 768 HB2 LEU 99 2HB LEU 99 6.524 15.200 -24.404 769 HB3 LEU 99 3HB LEU 99 6.842 15.690 -26.067 770 HG LEU 99 HG LEU 99 4.461 16.661 -26.021 771 HD11 LEU 99 1HD1 LEU 99 3.471 15.823 -24.108 772 HD12 LEU 99 2HD1 LEU 99 3.965 17.438 -23.599 773 HD13 LEU 99 3HD1 LEU 99 4.927 16.035 -23.135 774 HD21 LEU 99 3HD2 LEU 99 5.921 18.368 -26.129 775 HD22 LEU 99 1HD2 LEU 99 6.965 17.692 -24.879 776 HD23 LEU 99 2HD2 LEU 99 5.511 18.581 -24.426 777 H LYS 100 H LYS 100 3.265 13.830 -27.166 778 HA LYS 100 HA LYS 100 2.637 13.713 -29.354 779 HB2 LYS 100 2HB LYS 100 4.668 15.936 -29.384 780 HB3 LYS 100 3HB LYS 100 3.781 15.477 -30.832 781 HG2 LYS 100 2HG LYS 100 2.280 16.090 -28.330 782 HG3 LYS 100 3HG LYS 100 2.923 17.410 -29.310 783 HD2 LYS 100 2HD LYS 100 1.748 16.435 -31.277 784 HD3 LYS 100 3HD LYS 100 1.014 15.248 -30.197 785 HE2 LYS 100 2HE LYS 100 -0.166 16.933 -29.012 786 HE3 LYS 100 3HE LYS 100 0.759 18.219 -29.786 787 HZ1 LYS 100 3HZ LYS 100 -0.552 16.583 -31.709 788 HZ2 LYS 100 1HZ LYS 100 -0.654 18.256 -31.478 789 HZ3 LYS 100 2HZ LYS 100 -1.663 17.218 -30.603 790 H GLU 101 H GLU 101 4.177 11.615 -28.826 791 HA GLU 101 HA GLU 101 5.266 10.928 -31.342 792 HB2 GLU 101 2HB GLU 101 7.104 12.048 -29.361 793 HB3 GLU 101 3HB GLU 101 7.590 10.457 -29.931 794 HG2 GLU 101 2HG GLU 101 7.057 11.562 -32.283 795 HG3 GLU 101 3HG GLU 101 7.431 13.031 -31.384 796 H ARG 102 H ARG 102 6.505 8.753 -31.152 797 HA ARG 102 HA ARG 102 5.087 7.115 -29.158 798 HB2 ARG 102 2HB ARG 102 6.190 6.267 -31.842 799 HB3 ARG 102 3HB ARG 102 5.273 5.259 -30.731 800 HG2 ARG 102 2HG ARG 102 4.054 7.790 -31.715 801 HG3 ARG 102 3HG ARG 102 4.123 6.392 -32.790 802 HD2 ARG 102 2HD ARG 102 2.698 5.149 -31.488 803 HD3 ARG 102 3HD ARG 102 3.120 6.016 -30.012 804 HE ARG 102 HE ARG 102 1.858 7.904 -31.455 805 HH11 ARG 102 1HH1 ARG 102 1.025 4.628 -30.620 806 HH12 ARG 102 2HH1 ARG 102 -0.682 4.924 -30.621 807 HH21 ARG 102 1HH2 ARG 102 -0.388 8.305 -31.459 808 HH22 ARG 102 2HH2 ARG 102 -1.484 7.015 -31.099 809 H SER 103 H SER 103 6.442 4.797 -29.238 810 HA SER 103 HA SER 103 9.253 4.990 -29.171 811 HB2 SER 103 2HB SER 103 7.802 5.695 -26.687 812 HB3 SER 103 3HB SER 103 9.150 4.573 -26.500 813 HG SER 103 HG SER 103 9.158 7.226 -27.436 814 H LEU 104 H LEU 104 9.945 2.989 -29.504 815 HA LEU 104 HA LEU 104 10.077 0.720 -29.546 816 HB2 LEU 104 2HB LEU 104 9.748 1.294 -26.977 817 HB3 LEU 104 3HB LEU 104 8.230 0.437 -27.236 818 HG LEU 104 HG LEU 104 10.752 -0.882 -28.106 819 HD11 LEU 104 1HD1 LEU 104 9.850 -0.685 -25.236 820 HD12 LEU 104 2HD1 LEU 104 11.351 -0.053 -25.912 821 HD13 LEU 104 3HD1 LEU 104 11.078 -1.794 -25.847 822 HD21 LEU 104 3HD2 LEU 104 8.011 -1.641 -27.238 823 HD22 LEU 104 1HD2 LEU 104 9.326 -2.781 -26.953 824 HD23 LEU 104 2HD2 LEU 104 8.975 -2.232 -28.592 825 H GLU 105 H GLU 105 8.328 1.687 -31.314 826 HA GLU 105 HA GLU 105 5.675 0.788 -31.127 827 HB2 GLU 105 2HB GLU 105 5.533 1.163 -33.501 828 HB3 GLU 105 3HB GLU 105 6.508 2.441 -32.789 829 HG2 GLU 105 2HG GLU 105 8.466 0.763 -33.436 830 HG3 GLU 105 3HG GLU 105 7.279 0.272 -34.644 831 H HIS 106 H HIS 106 4.642 -0.991 -32.186 832 HA HIS 106 HA HIS 106 6.396 -3.345 -32.432 833 HB2 HIS 106 2HB HIS 106 3.591 -3.041 -31.391 834 HB3 HIS 106 3HB HIS 106 4.188 -4.602 -31.945 835 HD1 HIS 106 HD1 HIS 106 6.828 -4.953 -30.747 836 HD2 HIS 106 HD2 HIS 106 3.802 -2.964 -28.709 837 HE1 HIS 106 HE1 HIS 106 7.457 -5.082 -28.315 838 H HIS 107 H HIS 107 5.318 -5.122 -33.809 839 HA HIS 107 HA HIS 107 4.611 -3.893 -36.362 840 HB2 HIS 107 2HB HIS 107 5.366 -6.750 -35.710 841 HB3 HIS 107 3HB HIS 107 5.107 -6.102 -37.327 842 HD1 HIS 107 HD1 HIS 107 6.987 -4.700 -38.356 843 HD2 HIS 107 HD2 HIS 107 7.785 -5.973 -34.482 844 HE1 HIS 107 HE1 HIS 107 9.428 -4.225 -37.981 845 H HIS 108 H HIS 108 2.534 -3.644 -34.683 846 HA HIS 108 HA HIS 108 0.694 -5.851 -35.285 847 HB2 HIS 108 2HB HIS 108 0.809 -3.763 -33.159 848 HB3 HIS 108 3HB HIS 108 -0.774 -4.362 -33.646 849 HD1 HIS 108 HD1 HIS 108 2.509 -5.634 -32.255 850 HD2 HIS 108 HD2 HIS 108 -1.477 -6.766 -32.555 851 HE1 HIS 108 HE1 HIS 108 2.292 -7.708 -30.849 852 H HIS 109 H HIS 109 0.319 -5.307 -37.464 853 HA HIS 109 HA HIS 109 -0.650 -2.704 -38.194 854 HB2 HIS 109 2HB HIS 109 -0.299 -5.313 -39.637 855 HB3 HIS 109 3HB HIS 109 -1.224 -4.010 -40.377 856 HD1 HIS 109 HD1 HIS 109 1.496 -5.089 -41.508 857 HD2 HIS 109 HD2 HIS 109 1.042 -1.707 -39.138 858 HE1 HIS 109 HE1 HIS 109 3.499 -3.650 -42.000 859 H HIS 110 H HIS 110 -2.576 -2.085 -37.437 860 HA HIS 110 HA HIS 110 -4.841 -3.939 -37.774 861 HB2 HIS 110 2HB HIS 110 -4.268 -2.032 -35.507 862 HB3 HIS 110 3HB HIS 110 -5.868 -2.711 -35.792 863 HD1 HIS 110 HD1 HIS 110 -5.489 -5.582 -36.180 864 HD2 HIS 110 HD2 HIS 110 -3.098 -3.446 -33.538 865 HE1 HIS 110 HE1 HIS 110 -4.571 -7.287 -34.575 866 H HIS 111 H HIS 111 -4.821 -2.785 -39.916 867 HA HIS 111 HA HIS 111 -5.864 -0.066 -39.839 868 HB2 HIS 111 2HB HIS 111 -5.172 -1.852 -42.180 869 HB3 HIS 111 3HB HIS 111 -5.680 -0.170 -42.304 870 HD1 HIS 111 HD1 HIS 111 -3.800 0.504 -39.671 871 HD2 HIS 111 HD2 HIS 111 -2.688 -1.108 -43.335 872 HE1 HIS 111 HE1 HIS 111 -1.349 1.012 -39.912 Start of MODEL 8 1 H1 ASP 1 H ASP 1 21.808 -1.455 -32.971 2 HA ASP 1 HA ASP 1 22.405 -3.608 -31.211 3 HB2 ASP 1 2HB ASP 1 20.977 -0.983 -30.917 4 HB3 ASP 1 3HB ASP 1 20.947 -2.162 -29.608 5 H LEU 2 H LEU 2 21.263 -5.384 -30.858 6 HA LEU 2 HA LEU 2 18.347 -5.281 -30.962 7 HB2 LEU 2 2HB LEU 2 19.859 -7.449 -32.394 8 HB3 LEU 2 3HB LEU 2 18.125 -7.135 -32.422 9 HG LEU 2 HG LEU 2 18.906 -4.858 -33.510 10 HD11 LEU 2 1HD1 LEU 2 21.275 -6.613 -33.658 11 HD12 LEU 2 2HD1 LEU 2 21.160 -4.854 -33.653 12 HD13 LEU 2 3HD1 LEU 2 20.837 -5.754 -35.134 13 HD21 LEU 2 3HD2 LEU 2 17.863 -5.712 -35.280 14 HD22 LEU 2 1HD2 LEU 2 17.827 -7.251 -34.420 15 HD23 LEU 2 2HD2 LEU 2 19.140 -6.901 -35.544 16 H THR 3 H THR 3 17.684 -6.051 -29.079 17 HA THR 3 HA THR 3 18.748 -8.569 -28.087 18 HB THR 3 HB THR 3 20.169 -6.804 -27.039 19 HG1 THR 3 HG1 THR 3 19.959 -7.700 -24.969 20 HG21 THR 3 3HG2 THR 3 17.837 -5.383 -26.814 21 HG22 THR 3 1HG2 THR 3 19.334 -5.020 -25.956 22 HG23 THR 3 2HG2 THR 3 18.076 -5.973 -25.169 23 H VAL 4 H VAL 4 17.529 -9.157 -25.968 24 HA VAL 4 HA VAL 4 14.786 -8.135 -25.981 25 HB VAL 4 HB VAL 4 15.381 -11.094 -26.073 26 HG11 VAL 4 1HG1 VAL 4 12.926 -11.246 -26.455 27 HG12 VAL 4 2HG1 VAL 4 13.362 -10.613 -24.867 28 HG13 VAL 4 3HG1 VAL 4 12.813 -9.516 -26.134 29 HG21 VAL 4 3HG2 VAL 4 14.799 -9.130 -28.228 30 HG22 VAL 4 1HG2 VAL 4 15.822 -10.566 -28.251 31 HG23 VAL 4 2HG2 VAL 4 14.068 -10.731 -28.341 32 H ARG 5 H ARG 5 13.652 -8.448 -24.040 33 HA ARG 5 HA ARG 5 15.374 -9.142 -21.759 34 HB2 ARG 5 2HB ARG 5 14.227 -6.801 -22.084 35 HB3 ARG 5 3HB ARG 5 12.805 -7.634 -21.468 36 HG2 ARG 5 2HG ARG 5 13.846 -6.585 -19.624 37 HG3 ARG 5 3HG ARG 5 14.182 -8.312 -19.484 38 HD2 ARG 5 2HD ARG 5 16.389 -7.900 -20.563 39 HD3 ARG 5 3HD ARG 5 16.044 -6.172 -20.504 40 HE ARG 5 HE ARG 5 16.839 -7.863 -18.312 41 HH11 ARG 5 1HH1 ARG 5 15.281 -4.890 -19.238 42 HH12 ARG 5 2HH1 ARG 5 15.568 -4.114 -17.716 43 HH21 ARG 5 1HH2 ARG 5 17.223 -6.851 -16.304 44 HH22 ARG 5 2HH2 ARG 5 16.673 -5.229 -16.049 45 H GLN 6 H GLN 6 14.358 -10.204 -19.919 46 HA GLN 6 HA GLN 6 12.556 -12.300 -20.813 47 HB2 GLN 6 2HB GLN 6 14.702 -12.508 -19.298 48 HB3 GLN 6 3HB GLN 6 13.573 -12.113 -18.009 49 HG2 GLN 6 2HG GLN 6 12.299 -14.049 -18.385 50 HG3 GLN 6 3HG GLN 6 13.062 -14.344 -19.947 51 HE21 GLN 6 1HE2 GLN 6 14.088 -16.212 -19.739 52 HE22 GLN 6 2HE2 GLN 6 15.201 -16.614 -18.481 53 H LYS 7 H LYS 7 10.840 -13.018 -19.194 54 HA LYS 7 HA LYS 7 9.602 -10.806 -17.751 55 HB2 LYS 7 2HB LYS 7 8.065 -12.390 -19.814 56 HB3 LYS 7 3HB LYS 7 7.464 -11.051 -18.845 57 HG2 LYS 7 2HG LYS 7 8.860 -9.496 -20.006 58 HG3 LYS 7 3HG LYS 7 9.685 -10.803 -20.861 59 HD2 LYS 7 2HD LYS 7 6.729 -10.595 -21.123 60 HD3 LYS 7 3HD LYS 7 7.726 -9.421 -21.984 61 HE2 LYS 7 2HE LYS 7 7.974 -12.421 -22.185 62 HE3 LYS 7 3HE LYS 7 7.191 -11.378 -23.370 63 HZ1 LYS 7 3HZ LYS 7 9.963 -11.952 -23.021 64 HZ2 LYS 7 1HZ LYS 7 9.674 -10.285 -23.018 65 HZ3 LYS 7 2HZ LYS 7 9.173 -11.228 -24.330 66 H GLY 8 H GLY 8 8.344 -11.439 -16.033 67 HA2 GLY 8 2HA GLY 8 7.268 -14.028 -15.687 68 HA3 GLY 8 3HA GLY 8 8.822 -13.932 -14.871 69 H ASN 9 H ASN 9 5.696 -13.853 -14.238 70 HA ASN 9 HA ASN 9 5.973 -12.662 -11.703 71 HB2 ASN 9 2HB ASN 9 4.882 -10.605 -11.888 72 HB3 ASN 9 3HB ASN 9 5.898 -10.638 -13.326 73 HD21 ASN 9 1HD2 ASN 9 4.562 -12.140 -15.070 74 HD22 ASN 9 2HD2 ASN 9 3.018 -11.453 -15.433 75 H LYS 10 H LYS 10 3.526 -12.065 -10.912 76 HA LYS 10 HA LYS 10 2.194 -14.478 -10.680 77 HB2 LYS 10 2HB LYS 10 1.927 -12.249 -9.362 78 HB3 LYS 10 3HB LYS 10 0.698 -11.877 -10.563 79 HG2 LYS 10 2HG LYS 10 -0.732 -13.496 -9.806 80 HG3 LYS 10 3HG LYS 10 0.569 -14.492 -9.149 81 HD2 LYS 10 2HD LYS 10 0.891 -12.899 -7.333 82 HD3 LYS 10 3HD LYS 10 -0.370 -11.861 -8.004 83 HE2 LYS 10 2HE LYS 10 -1.983 -13.723 -7.712 84 HE3 LYS 10 3HE LYS 10 -0.711 -14.659 -6.928 85 HZ1 LYS 10 3HZ LYS 10 -0.862 -13.454 -5.049 86 HZ2 LYS 10 1HZ LYS 10 -2.425 -13.125 -5.605 87 HZ3 LYS 10 2HZ LYS 10 -1.185 -12.002 -5.853 88 H VAL 11 H VAL 11 -0.096 -14.922 -11.383 89 HA VAL 11 HA VAL 11 -0.577 -14.013 -14.140 90 HB VAL 11 HB VAL 11 -1.412 -16.341 -14.640 91 HG11 VAL 11 1HG1 VAL 11 0.578 -15.878 -15.696 92 HG12 VAL 11 2HG1 VAL 11 1.451 -15.637 -14.182 93 HG13 VAL 11 3HG1 VAL 11 1.035 -17.268 -14.711 94 HG21 VAL 11 3HG2 VAL 11 -0.959 -16.702 -11.904 95 HG22 VAL 11 1HG2 VAL 11 -1.424 -17.928 -13.083 96 HG23 VAL 11 2HG2 VAL 11 0.280 -17.657 -12.718 97 H ILE 12 H ILE 12 -2.467 -13.006 -14.203 98 HA ILE 12 HA ILE 12 -4.772 -14.210 -12.870 99 HB ILE 12 HB ILE 12 -5.490 -11.841 -12.193 100 HG12 ILE 12 2HG1 ILE 12 -2.512 -11.354 -12.202 101 HG13 ILE 12 3HG1 ILE 12 -3.564 -10.802 -13.501 102 HG21 ILE 12 1HG2 ILE 12 -3.194 -13.133 -10.726 103 HG22 ILE 12 2HG2 ILE 12 -4.389 -12.035 -10.038 104 HG23 ILE 12 3HG2 ILE 12 -4.884 -13.625 -10.617 105 HD11 ILE 12 3HD1 ILE 12 -3.491 -9.921 -10.642 106 HD12 ILE 12 1HD1 ILE 12 -3.329 -8.954 -12.108 107 HD13 ILE 12 2HD1 ILE 12 -4.898 -9.629 -11.665 108 H LYS 13 H LYS 13 -6.731 -13.815 -13.866 109 HA LYS 13 HA LYS 13 -6.537 -12.632 -16.541 110 HB2 LYS 13 2HB LYS 13 -8.396 -14.626 -15.282 111 HB3 LYS 13 3HB LYS 13 -8.862 -13.775 -16.748 112 HG2 LYS 13 2HG LYS 13 -7.814 -15.358 -17.889 113 HG3 LYS 13 3HG LYS 13 -6.296 -14.706 -17.267 114 HD2 LYS 13 2HD LYS 13 -7.756 -16.512 -15.450 115 HD3 LYS 13 3HD LYS 13 -7.101 -17.259 -16.909 116 HE2 LYS 13 2HE LYS 13 -4.968 -15.834 -16.182 117 HE3 LYS 13 3HE LYS 13 -5.702 -16.045 -14.594 118 HZ1 LYS 13 3HZ LYS 13 -4.780 -18.144 -16.467 119 HZ2 LYS 13 1HZ LYS 13 -5.799 -18.484 -15.160 120 HZ3 LYS 13 2HZ LYS 13 -4.255 -17.852 -14.886 121 HA PRO 14 HA PRO 14 -9.062 -9.165 -15.614 122 HB2 PRO 14 2HB PRO 14 -10.564 -8.934 -17.864 123 HB3 PRO 14 3HB PRO 14 -8.841 -8.542 -17.815 124 HG2 PRO 14 2HG PRO 14 -10.191 -11.030 -18.790 125 HG3 PRO 14 3HG PRO 14 -8.848 -10.127 -19.516 126 HD2 PRO 14 2HD PRO 14 -8.472 -12.389 -18.075 127 HD3 PRO 14 3HD PRO 14 -7.287 -11.068 -18.105 128 H ASP 15 H ASP 15 -11.209 -8.448 -15.138 129 HA ASP 15 HA ASP 15 -12.965 -10.636 -14.373 130 HB2 ASP 15 2HB ASP 15 -12.291 -8.505 -12.970 131 HB3 ASP 15 3HB ASP 15 -13.628 -7.768 -13.849 132 H GLU 16 H GLU 16 -13.727 -11.259 -16.439 133 HA GLU 16 HA GLU 16 -15.143 -11.258 -18.222 134 HB2 GLU 16 2HB GLU 16 -16.573 -9.564 -16.208 135 HB3 GLU 16 3HB GLU 16 -17.248 -9.751 -17.820 136 HG2 GLU 16 2HG GLU 16 -17.319 -12.161 -17.535 137 HG3 GLU 16 3HG GLU 16 -16.587 -12.006 -15.939 138 H THR 17 H THR 17 -12.953 -9.287 -18.141 139 HA THR 17 HA THR 17 -12.162 -7.492 -19.303 140 HB THR 17 HB THR 17 -12.737 -7.354 -21.573 141 HG1 THR 17 HG1 THR 17 -15.178 -8.722 -21.275 142 HG21 THR 17 3HG2 THR 17 -13.736 -10.114 -21.324 143 HG22 THR 17 1HG2 THR 17 -12.225 -9.780 -20.479 144 HG23 THR 17 2HG2 THR 17 -12.349 -9.486 -22.214 145 H ARG 18 H ARG 18 -14.116 -6.922 -17.271 146 HA ARG 18 HA ARG 18 -15.414 -4.534 -18.409 147 HB2 ARG 18 2HB ARG 18 -16.176 -6.179 -15.991 148 HB3 ARG 18 3HB ARG 18 -16.948 -4.665 -16.444 149 HG2 ARG 18 2HG ARG 18 -17.374 -5.856 -18.709 150 HG3 ARG 18 3HG ARG 18 -17.078 -7.329 -17.783 151 HD2 ARG 18 2HD ARG 18 -19.018 -5.252 -16.828 152 HD3 ARG 18 3HD ARG 18 -19.498 -6.477 -18.002 153 HE ARG 18 HE ARG 18 -18.321 -7.850 -15.927 154 HH11 ARG 18 1HH1 ARG 18 -21.027 -5.695 -16.320 155 HH12 ARG 18 2HH1 ARG 18 -21.943 -6.401 -15.030 156 HH21 ARG 18 1HH2 ARG 18 -19.518 -8.788 -14.227 157 HH22 ARG 18 2HH2 ARG 18 -21.083 -8.159 -13.839 158 H VAL 19 H VAL 19 -15.631 -2.697 -16.859 159 HA VAL 19 HA VAL 19 -13.884 -2.513 -14.615 160 HB VAL 19 HB VAL 19 -12.259 -2.393 -16.536 161 HG11 VAL 19 1HG1 VAL 19 -12.356 -0.808 -18.142 162 HG12 VAL 19 2HG1 VAL 19 -14.075 -0.817 -17.743 163 HG13 VAL 19 3HG1 VAL 19 -13.014 0.411 -17.052 164 HG21 VAL 19 3HG2 VAL 19 -10.903 -1.070 -15.305 165 HG22 VAL 19 1HG2 VAL 19 -12.074 0.247 -15.238 166 HG23 VAL 19 2HG2 VAL 19 -12.237 -1.134 -14.153 167 H LYS 20 H LYS 20 -14.297 -0.713 -13.381 168 HA LYS 20 HA LYS 20 -16.461 1.020 -14.362 169 HB2 LYS 20 2HB LYS 20 -15.713 0.907 -11.476 170 HB3 LYS 20 3HB LYS 20 -17.289 1.159 -12.215 171 HG2 LYS 20 2HG LYS 20 -15.802 -1.453 -12.032 172 HG3 LYS 20 3HG LYS 20 -17.214 -0.977 -11.086 173 HD2 LYS 20 2HD LYS 20 -18.577 -0.907 -13.078 174 HD3 LYS 20 3HD LYS 20 -17.169 -1.225 -14.094 175 HE2 LYS 20 2HE LYS 20 -18.096 -3.120 -11.948 176 HE3 LYS 20 3HE LYS 20 -18.686 -3.198 -13.608 177 HZ1 LYS 20 3HZ LYS 20 -15.972 -3.091 -13.862 178 HZ2 LYS 20 1HZ LYS 20 -16.931 -4.477 -14.002 179 HZ3 LYS 20 2HZ LYS 20 -16.202 -4.100 -12.524 180 H GLN 21 H GLN 21 -13.833 1.575 -15.169 181 HA GLN 21 HA GLN 21 -13.247 4.021 -13.633 182 HB2 GLN 21 2HB GLN 21 -11.407 2.113 -15.057 183 HB3 GLN 21 3HB GLN 21 -10.914 3.759 -14.681 184 HG2 GLN 21 2HG GLN 21 -11.788 1.684 -12.683 185 HG3 GLN 21 3HG GLN 21 -10.127 2.176 -13.007 186 HE21 GLN 21 1HE2 GLN 21 -12.844 2.702 -11.131 187 HE22 GLN 21 2HE2 GLN 21 -12.376 4.199 -10.406 188 H PHE 22 H PHE 22 -14.575 2.924 -16.422 189 HA PHE 22 HA PHE 22 -15.243 3.979 -18.328 190 HB2 PHE 22 2HB PHE 22 -15.455 5.988 -16.854 191 HB3 PHE 22 3HB PHE 22 -13.797 6.414 -17.266 192 HD1 PHE 22 HD2 PHE 22 -16.797 5.307 -19.197 193 HD2 PHE 22 HD1 PHE 22 -13.682 8.169 -18.726 194 HE1 PHE 22 HE2 PHE 22 -17.606 6.510 -21.185 195 HE2 PHE 22 HE1 PHE 22 -14.486 9.377 -20.713 196 HZ PHE 22 HZ PHE 22 -16.450 8.548 -21.946 197 H LEU 23 H LEU 23 -12.084 5.492 -17.660 198 HA LEU 23 HA LEU 23 -11.131 5.439 -20.261 199 HB2 LEU 23 2HB LEU 23 -9.535 5.196 -17.715 200 HB3 LEU 23 3HB LEU 23 -8.895 5.661 -19.291 201 HG LEU 23 HG LEU 23 -9.098 7.725 -18.374 202 HD11 LEU 23 1HD1 LEU 23 -11.085 8.837 -19.142 203 HD12 LEU 23 2HD1 LEU 23 -11.962 7.310 -19.213 204 HD13 LEU 23 3HD1 LEU 23 -10.623 7.609 -20.321 205 HD21 LEU 23 3HD2 LEU 23 -10.000 8.065 -16.369 206 HD22 LEU 23 1HD2 LEU 23 -10.484 6.369 -16.386 207 HD23 LEU 23 2HD2 LEU 23 -11.607 7.612 -16.940 208 H GLU 24 H GLU 24 -10.691 3.028 -17.689 209 HA GLU 24 HA GLU 24 -9.038 1.266 -19.080 210 HB2 GLU 24 2HB GLU 24 -10.834 1.091 -16.737 211 HB3 GLU 24 3HB GLU 24 -10.458 -0.435 -17.524 212 HG2 GLU 24 2HG GLU 24 -8.639 -0.467 -16.254 213 HG3 GLU 24 3HG GLU 24 -8.001 0.766 -17.339 214 H GLY 25 H GLY 25 -12.375 1.968 -19.492 215 HA2 GLY 25 2HA GLY 25 -13.214 -0.491 -20.636 216 HA3 GLY 25 3HA GLY 25 -14.012 1.063 -20.828 217 H PHE 26 H PHE 26 -11.225 2.011 -21.832 218 HA PHE 26 HA PHE 26 -11.667 1.122 -24.602 219 HB2 PHE 26 2HB PHE 26 -10.233 3.626 -23.706 220 HB3 PHE 26 3HB PHE 26 -10.759 3.220 -25.336 221 HD1 PHE 26 HD1 PHE 26 -11.865 4.273 -21.996 222 HD2 PHE 26 HD2 PHE 26 -13.014 3.565 -26.033 223 HE1 PHE 26 HE1 PHE 26 -13.994 5.437 -21.590 224 HE2 PHE 26 HE2 PHE 26 -15.145 4.729 -25.634 225 HZ PHE 26 HZ PHE 26 -15.637 5.668 -23.411 226 H ASN 27 H ASN 27 -9.755 0.944 -25.981 227 HA ASN 27 HA ASN 27 -7.773 -0.689 -24.819 228 HB2 ASN 27 2HB ASN 27 -8.202 0.535 -27.510 229 HB3 ASN 27 3HB ASN 27 -6.618 -0.141 -27.140 230 HD21 ASN 27 1HD2 ASN 27 -10.030 -0.847 -27.443 231 HD22 ASN 27 2HD2 ASN 27 -9.852 -2.551 -27.668 232 H ILE 28 H ILE 28 -5.404 -0.281 -24.992 233 HA ILE 28 HA ILE 28 -4.788 2.259 -23.750 234 HB ILE 28 HB ILE 28 -3.790 0.223 -22.843 235 HG12 ILE 28 2HG1 ILE 28 -1.414 0.979 -22.823 236 HG13 ILE 28 3HG1 ILE 28 -1.796 2.107 -24.119 237 HG21 ILE 28 1HG2 ILE 28 -1.872 -0.136 -25.034 238 HG22 ILE 28 2HG2 ILE 28 -2.705 -1.334 -24.044 239 HG23 ILE 28 3HG2 ILE 28 -3.531 -0.596 -25.416 240 HD11 ILE 28 3HD1 ILE 28 -1.722 3.024 -21.758 241 HD12 ILE 28 1HD1 ILE 28 -3.143 3.417 -22.725 242 HD13 ILE 28 2HD1 ILE 28 -3.235 2.160 -21.492 243 H GLU 29 H GLU 29 -4.320 0.682 -26.827 244 HA GLU 29 HA GLU 29 -2.302 2.424 -27.812 245 HB2 GLU 29 2HB GLU 29 -2.732 1.436 -29.967 246 HB3 GLU 29 3HB GLU 29 -2.781 0.170 -28.747 247 HG2 GLU 29 2HG GLU 29 -5.150 0.067 -28.827 248 HG3 GLU 29 3HG GLU 29 -5.242 1.526 -29.812 249 H THR 30 H THR 30 -5.745 2.633 -27.554 250 HA THR 30 HA THR 30 -6.163 4.621 -29.546 251 HB THR 30 HB THR 30 -8.357 4.936 -28.564 252 HG1 THR 30 HG1 THR 30 -7.747 3.124 -26.490 253 HG21 THR 30 3HG2 THR 30 -8.192 2.988 -29.932 254 HG22 THR 30 1HG2 THR 30 -9.131 2.541 -28.509 255 HG23 THR 30 2HG2 THR 30 -7.438 2.065 -28.633 256 H PHE 31 H PHE 31 -4.855 4.702 -26.394 257 HA PHE 31 HA PHE 31 -5.446 7.519 -25.978 258 HB2 PHE 31 2HB PHE 31 -3.815 5.593 -24.310 259 HB3 PHE 31 3HB PHE 31 -4.259 7.230 -23.841 260 HD1 PHE 31 HD1 PHE 31 -7.099 7.115 -24.972 261 HD2 PHE 31 HD2 PHE 31 -4.862 4.459 -22.511 262 HE1 PHE 31 HE1 PHE 31 -9.191 6.267 -23.992 263 HE2 PHE 31 HE2 PHE 31 -6.950 3.606 -21.528 264 HZ PHE 31 HZ PHE 31 -9.118 4.509 -22.269 265 H GLU 32 H GLU 32 -3.792 9.107 -25.673 266 HA GLU 32 HA GLU 32 -1.114 8.470 -26.608 267 HB2 GLU 32 2HB GLU 32 -2.807 10.559 -27.991 268 HB3 GLU 32 3HB GLU 32 -1.119 10.204 -28.331 269 HG2 GLU 32 2HG GLU 32 -1.915 7.836 -28.867 270 HG3 GLU 32 3HG GLU 32 -3.536 8.529 -28.900 271 H MET 33 H MET 33 0.386 9.639 -25.573 272 HA MET 33 HA MET 33 -0.177 11.201 -23.371 273 HB2 MET 33 2HB MET 33 2.014 10.273 -23.652 274 HB3 MET 33 3HB MET 33 2.264 11.166 -25.146 275 HG2 MET 33 2HG MET 33 2.238 13.265 -23.883 276 HG3 MET 33 3HG MET 33 2.025 12.351 -22.391 277 HE1 MET 33 3HE MET 33 5.162 13.026 -21.229 278 HE2 MET 33 1HE MET 33 5.222 14.203 -22.541 279 HE3 MET 33 2HE MET 33 3.700 13.889 -21.707 280 H VAL 34 H VAL 34 -1.050 13.144 -23.152 281 HA VAL 34 HA VAL 34 -0.940 15.008 -25.427 282 HB VAL 34 HB VAL 34 -3.204 14.370 -24.722 283 HG11 VAL 34 1HG1 VAL 34 -2.913 13.882 -22.414 284 HG12 VAL 34 2HG1 VAL 34 -2.342 15.517 -22.075 285 HG13 VAL 34 3HG1 VAL 34 -4.028 15.244 -22.515 286 HG21 VAL 34 3HG2 VAL 34 -2.739 17.229 -23.920 287 HG22 VAL 34 1HG2 VAL 34 -2.587 16.683 -25.590 288 HG23 VAL 34 2HG2 VAL 34 -4.131 16.533 -24.750 289 H GLY 35 H GLY 35 0.081 14.517 -22.187 290 HA2 GLY 35 2HA GLY 35 1.804 16.732 -22.177 291 HA3 GLY 35 3HA GLY 35 0.345 17.174 -21.304 292 H THR 36 H THR 36 2.462 17.323 -19.809 293 HA THR 36 HA THR 36 2.183 15.077 -17.978 294 HB THR 36 HB THR 36 4.837 15.319 -17.728 295 HG1 THR 36 HG1 THR 36 5.336 16.630 -19.396 296 HG21 THR 36 3HG2 THR 36 3.675 13.215 -18.043 297 HG22 THR 36 1HG2 THR 36 5.049 13.301 -19.144 298 HG23 THR 36 2HG2 THR 36 3.416 13.581 -19.748 299 H LEU 37 H LEU 37 2.449 15.632 -15.854 300 HA LEU 37 HA LEU 37 3.163 18.440 -15.313 301 HB2 LEU 37 2HB LEU 37 0.738 17.803 -15.021 302 HB3 LEU 37 3HB LEU 37 1.258 16.767 -13.693 303 HG LEU 37 HG LEU 37 0.310 19.034 -13.073 304 HD11 LEU 37 1HD1 LEU 37 2.903 19.175 -11.839 305 HD12 LEU 37 2HD1 LEU 37 2.363 17.501 -11.960 306 HD13 LEU 37 3HD1 LEU 37 1.354 18.696 -11.145 307 HD21 LEU 37 3HD2 LEU 37 3.018 20.092 -13.800 308 HD22 LEU 37 1HD2 LEU 37 1.549 20.978 -13.392 309 HD23 LEU 37 2HD2 LEU 37 1.678 20.153 -14.945 310 H SER 38 H SER 38 4.523 18.874 -13.630 311 HA SER 38 HA SER 38 5.314 16.750 -11.811 312 HB2 SER 38 2HB SER 38 6.858 17.370 -14.129 313 HB3 SER 38 3HB SER 38 7.752 17.919 -12.712 314 HG SER 38 HG SER 38 7.781 15.540 -13.557 315 H ASN 39 H ASN 39 5.411 17.596 -9.848 316 HA ASN 39 HA ASN 39 6.638 20.187 -9.409 317 HB2 ASN 39 2HB ASN 39 4.687 21.026 -8.101 318 HB3 ASN 39 3HB ASN 39 4.356 20.867 -9.824 319 HD21 ASN 39 1HD2 ASN 39 2.163 21.024 -8.612 320 HD22 ASN 39 2HD2 ASN 39 1.406 19.505 -8.288 321 H ALA 40 H ALA 40 6.127 20.666 -6.844 322 HA ALA 40 HA ALA 40 7.731 18.921 -5.425 323 HB1 ALA 40 1HB ALA 40 7.387 21.076 -4.536 324 HB2 ALA 40 2HB ALA 40 5.637 20.864 -4.490 325 HB3 ALA 40 3HB ALA 40 6.664 19.962 -3.376 326 H GLN 41 H GLN 41 4.281 18.790 -5.995 327 HA GLN 41 HA GLN 41 3.603 16.908 -4.015 328 HB2 GLN 41 2HB GLN 41 2.358 17.952 -6.489 329 HB3 GLN 41 3HB GLN 41 1.785 16.382 -5.941 330 HG2 GLN 41 2HG GLN 41 1.785 18.942 -4.358 331 HG3 GLN 41 3HG GLN 41 0.384 18.139 -5.067 332 HE21 GLN 41 1HE2 GLN 41 1.520 18.787 -2.240 333 HE22 GLN 41 2HE2 GLN 41 1.209 17.328 -1.369 334 H GLY 42 H GLY 42 4.950 16.572 -7.232 335 HA2 GLY 42 2HA GLY 42 6.325 14.337 -7.111 336 HA3 GLY 42 3HA GLY 42 4.705 13.657 -7.097 337 H THR 43 H THR 43 5.252 12.565 -9.063 338 HA THR 43 HA THR 43 5.299 14.331 -11.422 339 HB THR 43 HB THR 43 6.048 11.453 -11.654 340 HG1 THR 43 HG1 THR 43 7.249 12.236 -9.842 341 HG21 THR 43 3HG2 THR 43 6.631 12.153 -13.686 342 HG22 THR 43 1HG2 THR 43 7.804 13.258 -12.973 343 HG23 THR 43 2HG2 THR 43 6.150 13.796 -13.264 344 H PHE 44 H PHE 44 3.692 14.198 -12.873 345 HA PHE 44 HA PHE 44 1.873 11.897 -12.762 346 HB2 PHE 44 2HB PHE 44 0.875 14.736 -13.001 347 HB3 PHE 44 3HB PHE 44 -0.077 13.274 -12.761 348 HD1 PHE 44 HD1 PHE 44 2.228 15.651 -11.160 349 HD2 PHE 44 HD2 PHE 44 -0.396 12.348 -10.595 350 HE1 PHE 44 HE1 PHE 44 2.320 16.000 -8.726 351 HE2 PHE 44 HE2 PHE 44 -0.309 12.691 -8.160 352 HZ PHE 44 HZ PHE 44 1.049 14.520 -7.223 353 H ALA 45 H ALA 45 0.657 11.539 -14.698 354 HA ALA 45 HA ALA 45 1.842 12.829 -17.070 355 HB1 ALA 45 1HB ALA 45 2.616 10.722 -17.383 356 HB2 ALA 45 2HB ALA 45 1.316 9.984 -16.447 357 HB3 ALA 45 3HB ALA 45 1.019 10.513 -18.103 358 H LEU 46 H LEU 46 0.499 13.504 -18.688 359 HA LEU 46 HA LEU 46 -2.390 13.283 -18.153 360 HB2 LEU 46 2HB LEU 46 -1.186 15.425 -19.857 361 HB3 LEU 46 3HB LEU 46 -2.720 15.424 -18.989 362 HG LEU 46 HG LEU 46 0.024 15.699 -17.761 363 HD11 LEU 46 1HD1 LEU 46 -0.336 17.777 -18.628 364 HD12 LEU 46 2HD1 LEU 46 -1.188 17.945 -17.093 365 HD13 LEU 46 3HD1 LEU 46 -2.092 17.622 -18.572 366 HD21 LEU 46 3HD2 LEU 46 -2.672 15.893 -16.427 367 HD22 LEU 46 1HD2 LEU 46 -1.086 15.998 -15.662 368 HD23 LEU 46 2HD2 LEU 46 -1.630 14.471 -16.356 369 H VAL 47 H VAL 47 -3.372 11.925 -19.486 370 HA VAL 47 HA VAL 47 -2.408 11.732 -22.266 371 HB VAL 47 HB VAL 47 -2.180 9.654 -20.846 372 HG11 VAL 47 1HG1 VAL 47 -4.171 8.346 -20.395 373 HG12 VAL 47 2HG1 VAL 47 -4.290 9.920 -19.606 374 HG13 VAL 47 3HG1 VAL 47 -5.186 9.608 -21.093 375 HG21 VAL 47 3HG2 VAL 47 -4.011 9.333 -23.217 376 HG22 VAL 47 1HG2 VAL 47 -2.291 9.699 -23.349 377 HG23 VAL 47 2HG2 VAL 47 -2.816 8.184 -22.615 378 H LYS 48 H LYS 48 -4.033 11.296 -23.899 379 HA LYS 48 HA LYS 48 -6.661 12.423 -23.181 380 HB2 LYS 48 2HB LYS 48 -5.280 13.867 -24.664 381 HB3 LYS 48 3HB LYS 48 -5.261 12.575 -25.857 382 HG2 LYS 48 2HG LYS 48 -7.820 12.722 -25.766 383 HG3 LYS 48 3HG LYS 48 -7.559 14.275 -24.967 384 HD2 LYS 48 2HD LYS 48 -6.059 14.860 -26.936 385 HD3 LYS 48 3HD LYS 48 -6.730 13.436 -27.736 386 HE2 LYS 48 2HE LYS 48 -9.005 14.395 -27.359 387 HE3 LYS 48 3HE LYS 48 -8.232 15.861 -26.758 388 HZ1 LYS 48 3HZ LYS 48 -8.811 15.219 -29.389 389 HZ2 LYS 48 1HZ LYS 48 -7.127 15.143 -29.255 390 HZ3 LYS 48 2HZ LYS 48 -7.945 16.559 -28.825 391 H GLY 49 H GLY 49 -8.505 11.434 -23.940 392 HA2 GLY 49 2HA GLY 49 -8.775 9.582 -25.957 393 HA3 GLY 49 3HA GLY 49 -8.293 8.649 -24.547 394 H ALA 50 H ALA 50 -10.660 8.040 -25.629 395 HA ALA 50 HA ALA 50 -12.908 7.875 -25.270 396 HB1 ALA 50 1HB ALA 50 -12.130 6.922 -23.191 397 HB2 ALA 50 2HB ALA 50 -12.005 8.527 -22.468 398 HB3 ALA 50 3HB ALA 50 -13.586 7.874 -22.898 399 H GLY 51 H GLY 51 -11.864 10.520 -26.044 400 HA2 GLY 51 2HA GLY 51 -12.785 12.586 -26.466 401 HA3 GLY 51 3HA GLY 51 -14.271 12.000 -25.735 402 H GLY 52 H GLY 52 -11.125 12.154 -24.151 403 HA2 GLY 52 2HA GLY 52 -11.557 14.623 -22.825 404 HA3 GLY 52 3HA GLY 52 -12.076 13.294 -21.799 405 H VAL 53 H VAL 53 -10.173 14.723 -20.727 406 HA VAL 53 HA VAL 53 -7.606 13.447 -21.372 407 HB VAL 53 HB VAL 53 -6.676 15.212 -19.790 408 HG11 VAL 53 1HG1 VAL 53 -8.052 16.248 -22.263 409 HG12 VAL 53 2HG1 VAL 53 -6.592 16.886 -21.506 410 HG13 VAL 53 3HG1 VAL 53 -6.566 15.299 -22.275 411 HG21 VAL 53 3HG2 VAL 53 -9.396 16.443 -20.220 412 HG22 VAL 53 1HG2 VAL 53 -8.826 15.745 -18.704 413 HG23 VAL 53 2HG2 VAL 53 -8.033 17.172 -19.371 414 H HIS 54 H HIS 54 -6.440 12.317 -19.854 415 HA HIS 54 HA HIS 54 -7.794 11.794 -17.289 416 HB2 HIS 54 2HB HIS 54 -6.071 9.685 -18.490 417 HB3 HIS 54 3HB HIS 54 -7.507 9.525 -17.484 418 HD1 HIS 54 HD1 HIS 54 -6.691 8.343 -20.498 419 HD2 HIS 54 HD2 HIS 54 -9.668 11.031 -19.415 420 HE1 HIS 54 HE1 HIS 54 -8.401 8.230 -22.338 421 H ARG 55 H ARG 55 -6.598 12.036 -15.502 422 HA ARG 55 HA ARG 55 -3.727 12.566 -15.851 423 HB2 ARG 55 2HB ARG 55 -5.668 13.452 -13.714 424 HB3 ARG 55 3HB ARG 55 -3.931 13.709 -13.616 425 HG2 ARG 55 2HG ARG 55 -4.298 14.825 -15.970 426 HG3 ARG 55 3HG ARG 55 -5.947 15.007 -15.369 427 HD2 ARG 55 2HD ARG 55 -5.225 16.286 -13.511 428 HD3 ARG 55 3HD ARG 55 -3.535 15.873 -13.796 429 HE ARG 55 HE ARG 55 -4.525 17.205 -16.053 430 HH11 ARG 55 1HH1 ARG 55 -3.753 17.828 -12.716 431 HH12 ARG 55 2HH1 ARG 55 -3.376 19.498 -12.979 432 HH21 ARG 55 1HH2 ARG 55 -4.032 19.403 -16.413 433 HH22 ARG 55 2HH2 ARG 55 -3.536 20.393 -15.082 434 H VAL 56 H VAL 56 -2.434 10.953 -15.289 435 HA VAL 56 HA VAL 56 -2.974 9.474 -12.827 436 HB VAL 56 HB VAL 56 -2.318 7.330 -14.006 437 HG11 VAL 56 1HG1 VAL 56 -4.687 8.180 -13.362 438 HG12 VAL 56 2HG1 VAL 56 -4.904 8.351 -15.105 439 HG13 VAL 56 3HG1 VAL 56 -4.525 6.773 -14.412 440 HG21 VAL 56 3HG2 VAL 56 -3.363 8.248 -16.564 441 HG22 VAL 56 1HG2 VAL 56 -1.830 9.007 -16.134 442 HG23 VAL 56 2HG2 VAL 56 -1.953 7.249 -16.210 443 H ARG 57 H ARG 57 -1.148 8.693 -11.797 444 HA ARG 57 HA ARG 57 1.422 9.503 -12.993 445 HB2 ARG 57 2HB ARG 57 2.177 9.644 -10.544 446 HB3 ARG 57 3HB ARG 57 1.129 10.921 -11.149 447 HG2 ARG 57 2HG ARG 57 -0.670 10.226 -9.904 448 HG3 ARG 57 3HG ARG 57 -0.090 8.562 -9.799 449 HD2 ARG 57 2HD ARG 57 1.508 10.727 -8.521 450 HD3 ARG 57 3HD ARG 57 0.029 10.185 -7.729 451 HE ARG 57 HE ARG 57 2.508 8.749 -7.941 452 HH11 ARG 57 1HH1 ARG 57 -0.936 8.465 -7.518 453 HH12 ARG 57 2HH1 ARG 57 -0.842 6.930 -6.721 454 HH21 ARG 57 1HH2 ARG 57 2.644 6.728 -6.892 455 HH22 ARG 57 2HH2 ARG 57 1.195 5.943 -6.365 456 H VAL 58 H VAL 58 3.279 8.311 -11.664 457 HA VAL 58 HA VAL 58 3.358 5.688 -12.475 458 HB VAL 58 HB VAL 58 4.787 6.840 -10.075 459 HG11 VAL 58 1HG1 VAL 58 5.003 4.491 -9.974 460 HG12 VAL 58 2HG1 VAL 58 5.246 4.362 -11.717 461 HG13 VAL 58 3HG1 VAL 58 6.497 5.081 -10.701 462 HG21 VAL 58 3HG2 VAL 58 5.349 6.918 -13.016 463 HG22 VAL 58 1HG2 VAL 58 5.400 8.227 -11.836 464 HG23 VAL 58 2HG2 VAL 58 6.665 6.998 -11.845 465 H GLY 59 H GLY 59 2.173 3.988 -11.924 466 HA2 GLY 59 2HA GLY 59 1.748 2.391 -10.081 467 HA3 GLY 59 3HA GLY 59 1.259 3.779 -9.120 468 H ASP 60 H ASP 60 -0.217 5.072 -11.235 469 HA ASP 60 HA ASP 60 -2.731 3.837 -10.844 470 HB2 ASP 60 2HB ASP 60 -1.752 6.120 -12.527 471 HB3 ASP 60 3HB ASP 60 -3.395 5.518 -12.729 472 H TYR 61 H TYR 61 -4.217 3.382 -12.771 473 HA TYR 61 HA TYR 61 -2.768 1.902 -14.860 474 HB2 TYR 61 2HB TYR 61 -5.293 0.897 -13.545 475 HB3 TYR 61 3HB TYR 61 -4.254 0.036 -14.675 476 HD1 TYR 61 HD1 TYR 61 -4.524 1.303 -11.220 477 HD2 TYR 61 HD2 TYR 61 -2.301 -1.112 -13.926 478 HE1 TYR 61 HE1 TYR 61 -3.272 0.349 -9.330 479 HE2 TYR 61 HE2 TYR 61 -1.043 -2.074 -12.044 480 HH TYR 61 HH TYR 61 -1.991 -1.716 -8.825 481 H LEU 62 H LEU 62 -3.732 1.838 -16.883 482 HA LEU 62 HA LEU 62 -6.325 3.068 -17.288 483 HB2 LEU 62 2HB LEU 62 -5.185 4.532 -19.123 484 HB3 LEU 62 3HB LEU 62 -5.250 5.080 -17.450 485 HG LEU 62 HG LEU 62 -2.909 4.219 -17.175 486 HD11 LEU 62 1HD1 LEU 62 -2.161 2.852 -18.764 487 HD12 LEU 62 2HD1 LEU 62 -1.955 4.289 -19.763 488 HD13 LEU 62 3HD1 LEU 62 -3.431 3.333 -19.889 489 HD21 LEU 62 3HD2 LEU 62 -3.662 6.620 -17.775 490 HD22 LEU 62 1HD2 LEU 62 -2.997 6.255 -19.367 491 HD23 LEU 62 2HD2 LEU 62 -1.959 6.190 -17.942 492 H GLY 63 H GLY 63 -7.268 2.549 -19.268 493 HA2 GLY 63 2HA GLY 63 -7.338 1.611 -21.426 494 HA3 GLY 63 3HA GLY 63 -5.703 1.010 -21.193 495 H ARG 64 H ARG 64 -7.694 -0.577 -22.281 496 HA ARG 64 HA ARG 64 -8.972 -2.215 -20.343 497 HB2 ARG 64 2HB ARG 64 -8.556 -2.292 -23.281 498 HB3 ARG 64 3HB ARG 64 -8.914 -3.822 -22.493 499 HG2 ARG 64 2HG ARG 64 -10.933 -2.752 -21.494 500 HG3 ARG 64 3HG ARG 64 -10.599 -1.331 -22.486 501 HD2 ARG 64 2HD ARG 64 -12.213 -2.646 -23.642 502 HD3 ARG 64 3HD ARG 64 -10.680 -2.820 -24.494 503 HE ARG 64 HE ARG 64 -10.879 -4.904 -22.652 504 HH11 ARG 64 1HH1 ARG 64 -12.463 -3.790 -25.545 505 HH12 ARG 64 2HH1 ARG 64 -12.947 -5.376 -26.047 506 HH21 ARG 64 1HH2 ARG 64 -11.511 -6.997 -23.303 507 HH22 ARG 64 2HH2 ARG 64 -12.406 -7.199 -24.770 508 H ASN 65 H ASN 65 -5.773 -2.054 -21.524 509 HA ASN 65 HA ASN 65 -5.153 -4.806 -20.782 510 HB2 ASN 65 2HB ASN 65 -3.342 -2.644 -21.880 511 HB3 ASN 65 3HB ASN 65 -2.926 -4.344 -21.683 512 HD21 ASN 65 1HD2 ASN 65 -5.203 -5.567 -22.590 513 HD22 ASN 65 2HD2 ASN 65 -5.402 -5.240 -24.275 514 H ASP 66 H ASP 66 -5.846 -2.446 -18.926 515 HA ASP 66 HA ASP 66 -5.206 -1.626 -16.897 516 HB2 ASP 66 2HB ASP 66 -4.033 -4.395 -16.912 517 HB3 ASP 66 3HB ASP 66 -3.832 -3.335 -15.520 518 H GLY 67 H GLY 67 -3.700 -0.555 -18.910 519 HA2 GLY 67 2HA GLY 67 -0.936 -0.802 -18.763 520 HA3 GLY 67 3HA GLY 67 -1.782 0.664 -19.234 521 H LYS 68 H LYS 68 0.019 -0.921 -16.788 522 HA LYS 68 HA LYS 68 -0.594 1.043 -14.742 523 HB2 LYS 68 2HB LYS 68 -0.211 -1.295 -14.104 524 HB3 LYS 68 3HB LYS 68 1.414 -1.219 -14.771 525 HG2 LYS 68 2HG LYS 68 1.782 0.703 -13.103 526 HG3 LYS 68 3HG LYS 68 0.327 0.093 -12.311 527 HD2 LYS 68 2HD LYS 68 2.188 -0.930 -11.238 528 HD3 LYS 68 3HD LYS 68 1.432 -2.164 -12.247 529 HE2 LYS 68 2HE LYS 68 3.117 -1.863 -13.949 530 HE3 LYS 68 3HE LYS 68 3.826 -0.519 -13.056 531 HZ1 LYS 68 3HZ LYS 68 4.489 -3.190 -12.851 532 HZ2 LYS 68 1HZ LYS 68 3.669 -2.823 -11.418 533 HZ3 LYS 68 2HZ LYS 68 5.031 -1.926 -11.866 534 H VAL 69 H VAL 69 0.434 2.912 -14.525 535 HA VAL 69 HA VAL 69 2.566 3.680 -16.230 536 HB VAL 69 HB VAL 69 1.604 5.045 -13.712 537 HG11 VAL 69 1HG1 VAL 69 3.152 6.123 -16.067 538 HG12 VAL 69 2HG1 VAL 69 2.579 7.060 -14.685 539 HG13 VAL 69 3HG1 VAL 69 3.804 5.811 -14.459 540 HG21 VAL 69 3HG2 VAL 69 0.581 6.480 -15.773 541 HG22 VAL 69 1HG2 VAL 69 0.486 4.842 -16.421 542 HG23 VAL 69 2HG2 VAL 69 -0.303 5.233 -14.893 543 H VAL 70 H VAL 70 4.681 3.391 -16.013 544 HA VAL 70 HA VAL 70 5.749 2.774 -13.335 545 HB VAL 70 HB VAL 70 7.354 1.273 -14.298 546 HG11 VAL 70 1HG1 VAL 70 4.534 0.866 -14.479 547 HG12 VAL 70 2HG1 VAL 70 5.329 0.000 -15.795 548 HG13 VAL 70 3HG1 VAL 70 5.803 -0.305 -14.124 549 HG21 VAL 70 3HG2 VAL 70 7.792 2.447 -16.379 550 HG22 VAL 70 1HG2 VAL 70 7.383 0.763 -16.705 551 HG23 VAL 70 2HG2 VAL 70 6.186 2.029 -16.977 552 H GLY 71 H GLY 71 6.171 4.461 -16.363 553 HA2 GLY 71 2HA GLY 71 8.303 6.048 -15.103 554 HA3 GLY 71 3HA GLY 71 8.566 5.376 -16.705 555 H ILE 72 H ILE 72 8.320 8.191 -15.601 556 HA ILE 72 HA ILE 72 6.382 9.125 -17.609 557 HB ILE 72 HB ILE 72 6.795 10.301 -14.858 558 HG12 ILE 72 2HG1 ILE 72 4.275 9.168 -16.079 559 HG13 ILE 72 3HG1 ILE 72 5.367 8.220 -15.075 560 HG21 ILE 72 1HG2 ILE 72 4.861 11.790 -15.627 561 HG22 ILE 72 2HG2 ILE 72 6.469 12.147 -16.254 562 HG23 ILE 72 3HG2 ILE 72 5.300 11.294 -17.261 563 HD11 ILE 72 3HD1 ILE 72 4.877 10.497 -13.582 564 HD12 ILE 72 1HD1 ILE 72 3.320 10.103 -14.312 565 HD13 ILE 72 2HD1 ILE 72 4.170 8.900 -13.342 566 H SER 73 H SER 73 7.513 10.093 -19.154 567 HA SER 73 HA SER 73 9.900 11.642 -18.409 568 HB2 SER 73 2HB SER 73 9.301 10.941 -21.250 569 HB3 SER 73 3HB SER 73 10.858 11.101 -20.438 570 HG SER 73 HG SER 73 9.005 8.965 -20.217 571 H GLU 74 H GLU 74 10.229 13.273 -20.524 572 HA GLU 74 HA GLU 74 7.980 15.119 -20.226 573 HB2 GLU 74 2HB GLU 74 9.482 16.852 -20.944 574 HB3 GLU 74 3HB GLU 74 10.297 15.889 -19.719 575 HG2 GLU 74 2HG GLU 74 11.430 14.645 -21.561 576 HG3 GLU 74 3HG GLU 74 10.732 15.803 -22.692 577 H GLY 75 H GLY 75 9.268 12.925 -22.459 578 HA2 GLY 75 2HA GLY 75 7.658 14.157 -24.608 579 HA3 GLY 75 3HA GLY 75 9.223 13.425 -24.929 580 H LYS 76 H LYS 76 7.899 11.579 -22.583 581 HA LYS 76 HA LYS 76 5.999 10.044 -24.046 582 HB2 LYS 76 2HB LYS 76 7.340 8.007 -24.330 583 HB3 LYS 76 3HB LYS 76 7.991 9.341 -25.272 584 HG2 LYS 76 2HG LYS 76 9.105 8.944 -22.561 585 HG3 LYS 76 3HG LYS 76 9.512 7.743 -23.789 586 HD2 LYS 76 2HD LYS 76 9.751 10.629 -24.484 587 HD3 LYS 76 3HD LYS 76 10.981 9.908 -23.444 588 HE2 LYS 76 2HE LYS 76 10.166 8.627 -26.032 589 HE3 LYS 76 3HE LYS 76 11.380 9.905 -25.982 590 HZ1 LYS 76 3HZ LYS 76 12.895 8.459 -25.300 591 HZ2 LYS 76 1HZ LYS 76 11.778 7.211 -25.542 592 HZ3 LYS 76 2HZ LYS 76 11.923 7.933 -24.020 593 H ILE 77 H ILE 77 5.389 8.039 -22.867 594 HA ILE 77 HA ILE 77 6.123 8.142 -20.021 595 HB ILE 77 HB ILE 77 3.305 7.647 -20.968 596 HG12 ILE 77 2HG1 ILE 77 3.932 9.943 -21.541 597 HG13 ILE 77 3HG1 ILE 77 2.788 9.930 -20.204 598 HG21 ILE 77 1HG2 ILE 77 4.519 8.170 -18.261 599 HG22 ILE 77 2HG2 ILE 77 2.786 8.119 -18.580 600 HG23 ILE 77 3HG2 ILE 77 3.771 6.677 -18.826 601 HD11 ILE 77 3HD1 ILE 77 4.199 11.031 -18.906 602 HD12 ILE 77 1HD1 ILE 77 5.493 9.878 -19.230 603 HD13 ILE 77 2HD1 ILE 77 5.233 11.242 -20.319 604 H ASP 78 H ASP 78 6.812 6.246 -19.303 605 HA ASP 78 HA ASP 78 6.398 3.859 -20.907 606 HB2 ASP 78 2HB ASP 78 8.027 4.275 -18.390 607 HB3 ASP 78 3HB ASP 78 8.026 2.818 -19.380 608 H VAL 79 H VAL 79 4.908 2.369 -20.501 609 HA VAL 79 HA VAL 79 3.919 2.005 -17.773 610 HB VAL 79 HB VAL 79 1.610 2.099 -18.381 611 HG11 VAL 79 1HG1 VAL 79 3.045 4.264 -18.067 612 HG12 VAL 79 2HG1 VAL 79 2.646 4.530 -19.765 613 HG13 VAL 79 3HG1 VAL 79 1.359 4.377 -18.569 614 HG21 VAL 79 3HG2 VAL 79 1.487 1.185 -20.527 615 HG22 VAL 79 1HG2 VAL 79 1.026 2.871 -20.759 616 HG23 VAL 79 2HG2 VAL 79 2.651 2.335 -21.185 617 H ILE 80 H ILE 80 2.983 -0.035 -17.377 618 HA ILE 80 HA ILE 80 3.836 -2.082 -19.284 619 HB ILE 80 HB ILE 80 3.245 -2.088 -16.356 620 HG12 ILE 80 2HG1 ILE 80 5.554 -1.800 -17.343 621 HG13 ILE 80 3HG1 ILE 80 5.391 -3.127 -16.198 622 HG21 ILE 80 1HG2 ILE 80 3.385 -4.619 -16.472 623 HG22 ILE 80 2HG2 ILE 80 1.869 -3.888 -16.996 624 HG23 ILE 80 3HG2 ILE 80 3.033 -4.457 -18.192 625 HD11 ILE 80 3HD1 ILE 80 6.740 -3.676 -18.195 626 HD12 ILE 80 1HD1 ILE 80 5.342 -4.728 -17.975 627 HD13 ILE 80 2HD1 ILE 80 5.299 -3.446 -19.186 628 H GLU 81 H GLU 81 2.396 -2.855 -20.668 629 HA GLU 81 HA GLU 81 -0.451 -2.783 -19.950 630 HB2 GLU 81 2HB GLU 81 0.951 -2.941 -22.617 631 HB3 GLU 81 3HB GLU 81 -0.781 -3.175 -22.433 632 HG2 GLU 81 2HG GLU 81 -1.176 -0.989 -22.242 633 HG3 GLU 81 3HG GLU 81 0.201 -0.737 -21.171 634 H ILE 82 H ILE 82 -1.756 -4.599 -20.159 635 HA ILE 82 HA ILE 82 -0.307 -7.140 -20.067 636 HB ILE 82 HB ILE 82 -3.207 -6.658 -19.391 637 HG12 ILE 82 2HG1 ILE 82 -1.717 -5.286 -17.967 638 HG13 ILE 82 3HG1 ILE 82 -2.532 -6.551 -17.054 639 HG21 ILE 82 1HG2 ILE 82 -2.134 -8.782 -17.919 640 HG22 ILE 82 2HG2 ILE 82 -3.278 -8.873 -19.256 641 HG23 ILE 82 3HG2 ILE 82 -1.547 -8.995 -19.568 642 HD11 ILE 82 3HD1 ILE 82 -0.605 -7.427 -16.407 643 HD12 ILE 82 1HD1 ILE 82 0.019 -7.452 -18.057 644 HD13 ILE 82 2HD1 ILE 82 0.177 -5.994 -17.076 645 H VAL 83 H VAL 83 -0.550 -8.714 -21.549 646 HA VAL 83 HA VAL 83 -2.713 -8.509 -23.514 647 HB VAL 83 HB VAL 83 -1.095 -9.051 -25.347 648 HG11 VAL 83 1HG1 VAL 83 -0.108 -6.459 -24.415 649 HG12 VAL 83 2HG1 VAL 83 -1.012 -6.874 -25.873 650 HG13 VAL 83 3HG1 VAL 83 -1.862 -6.629 -24.346 651 HG21 VAL 83 3HG2 VAL 83 0.726 -9.857 -23.883 652 HG22 VAL 83 1HG2 VAL 83 1.262 -8.621 -25.022 653 HG23 VAL 83 2HG2 VAL 83 0.984 -8.202 -23.331 654 HA PRO 84 HA PRO 84 -2.995 -12.867 -23.049 655 HB2 PRO 84 2HB PRO 84 -3.908 -13.590 -25.502 656 HB3 PRO 84 3HB PRO 84 -4.912 -12.753 -24.311 657 HG2 PRO 84 2HG PRO 84 -3.448 -11.639 -26.673 658 HG3 PRO 84 3HG PRO 84 -5.085 -11.275 -26.098 659 HD2 PRO 84 2HD PRO 84 -2.973 -9.657 -25.597 660 HD3 PRO 84 3HD PRO 84 -4.329 -9.835 -24.465 661 H ASP 85 H ASP 85 -1.864 -14.745 -23.411 662 HA ASP 85 HA ASP 85 0.583 -14.475 -24.965 663 HB2 ASP 85 2HB ASP 85 0.454 -15.395 -22.569 664 HB3 ASP 85 3HB ASP 85 -0.199 -16.860 -23.300 665 H GLY 86 H GLY 86 -2.347 -16.433 -24.871 666 HA2 GLY 86 2HA GLY 86 -3.094 -17.021 -27.215 667 HA3 GLY 86 3HA GLY 86 -1.490 -17.717 -27.389 668 H GLU 87 H GLU 87 -1.517 -18.719 -24.603 669 HA GLU 87 HA GLU 87 -2.983 -21.172 -25.156 670 HB2 GLU 87 2HB GLU 87 -1.248 -20.640 -22.752 671 HB3 GLU 87 3HB GLU 87 -1.672 -22.189 -23.468 672 HG2 GLU 87 2HG GLU 87 -0.416 -21.141 -25.553 673 HG3 GLU 87 3HG GLU 87 0.382 -20.217 -24.281 674 H GLY 88 H GLY 88 -3.186 -18.370 -23.138 675 HA2 GLY 88 2HA GLY 88 -5.672 -18.219 -22.408 676 HA3 GLY 88 3HA GLY 88 -5.242 -19.636 -21.462 677 H ASN 89 H ASN 89 -2.469 -18.073 -21.404 678 HA ASN 89 HA ASN 89 -3.141 -16.673 -18.915 679 HB2 ASN 89 2HB ASN 89 -0.328 -17.232 -19.784 680 HB3 ASN 89 3HB ASN 89 -0.988 -17.113 -18.155 681 HD21 ASN 89 1HD2 ASN 89 -0.565 -19.143 -20.939 682 HD22 ASN 89 2HD2 ASN 89 -0.990 -20.631 -20.171 683 H TRP 90 H TRP 90 -2.030 -14.649 -18.436 684 HA TRP 90 HA TRP 90 -1.767 -13.008 -20.856 685 HB2 TRP 90 2HB TRP 90 -2.262 -12.190 -17.985 686 HB3 TRP 90 3HB TRP 90 -2.149 -11.083 -19.351 687 HD1 TRP 90 HD1 TRP 90 -4.458 -13.766 -17.864 688 HE1 TRP 90 HE1 TRP 90 -6.809 -13.464 -18.867 689 HE3 TRP 90 HE3 TRP 90 -3.401 -10.169 -21.339 690 HZ2 TRP 90 HZ2 TRP 90 -8.051 -11.907 -20.867 691 HZ3 TRP 90 HZ3 TRP 90 -5.227 -9.327 -22.758 692 HH2 TRP 90 HH2 TRP 90 -7.503 -10.179 -22.525 693 H LEU 91 H LEU 91 -0.118 -11.332 -20.897 694 HA LEU 91 HA LEU 91 2.207 -11.869 -19.189 695 HB2 LEU 91 2HB LEU 91 2.002 -12.155 -22.113 696 HB3 LEU 91 3HB LEU 91 3.420 -11.283 -21.534 697 HG LEU 91 HG LEU 91 3.958 -13.613 -21.880 698 HD11 LEU 91 1HD1 LEU 91 4.069 -13.950 -19.081 699 HD12 LEU 91 2HD1 LEU 91 4.243 -12.226 -19.407 700 HD13 LEU 91 3HD1 LEU 91 5.339 -13.381 -20.165 701 HD21 LEU 91 3HD2 LEU 91 1.389 -14.132 -21.117 702 HD22 LEU 91 1HD2 LEU 91 2.304 -14.656 -19.704 703 HD23 LEU 91 2HD2 LEU 91 2.661 -15.341 -21.290 704 H GLU 92 H GLU 92 3.839 -10.119 -19.290 705 HA GLU 92 HA GLU 92 2.496 -7.546 -19.280 706 HB2 GLU 92 2HB GLU 92 4.555 -6.711 -18.244 707 HB3 GLU 92 3HB GLU 92 3.946 -8.129 -17.402 708 HG2 GLU 92 2HG GLU 92 6.112 -8.732 -17.504 709 HG3 GLU 92 3HG GLU 92 5.620 -9.339 -19.084 710 H ARG 93 H ARG 93 3.195 -5.720 -20.441 711 HA ARG 93 HA ARG 93 5.149 -6.115 -22.569 712 HB2 ARG 93 2HB ARG 93 2.634 -6.633 -23.244 713 HB3 ARG 93 3HB ARG 93 2.556 -4.881 -23.373 714 HG2 ARG 93 2HG ARG 93 4.411 -4.915 -24.964 715 HG3 ARG 93 3HG ARG 93 4.483 -6.673 -24.836 716 HD2 ARG 93 2HD ARG 93 2.219 -6.844 -25.712 717 HD3 ARG 93 3HD ARG 93 2.103 -5.087 -25.792 718 HE ARG 93 HE ARG 93 4.330 -5.906 -27.281 719 HH11 ARG 93 1HH1 ARG 93 0.855 -6.093 -27.366 720 HH12 ARG 93 2HH1 ARG 93 0.771 -6.169 -29.095 721 HH21 ARG 93 1HH2 ARG 93 4.233 -6.004 -29.558 722 HH22 ARG 93 2HH2 ARG 93 2.693 -6.119 -30.341 723 HA PRO 94 HA PRO 94 5.646 -1.998 -20.661 724 HB2 PRO 94 2HB PRO 94 8.323 -1.894 -21.101 725 HB3 PRO 94 3HB PRO 94 7.609 -2.724 -19.713 726 HG2 PRO 94 2HG PRO 94 8.591 -3.863 -22.302 727 HG3 PRO 94 3HG PRO 94 8.820 -4.473 -20.653 728 HD2 PRO 94 2HD PRO 94 6.966 -5.496 -22.340 729 HD3 PRO 94 3HD PRO 94 6.726 -5.433 -20.582 730 H ARG 95 H ARG 95 4.780 -0.564 -22.064 731 HA ARG 95 HA ARG 95 6.267 -0.041 -24.554 732 HB2 ARG 95 2HB ARG 95 3.339 -0.295 -24.057 733 HB3 ARG 95 3HB ARG 95 3.874 0.888 -25.243 734 HG2 ARG 95 2HG ARG 95 4.562 -2.043 -25.290 735 HG3 ARG 95 3HG ARG 95 3.295 -1.275 -26.249 736 HD2 ARG 95 2HD ARG 95 5.263 0.291 -27.003 737 HD3 ARG 95 3HD ARG 95 6.259 -1.073 -26.497 738 HE ARG 95 HE ARG 95 5.617 -2.159 -28.393 739 HH11 ARG 95 1HH1 ARG 95 3.266 0.309 -27.685 740 HH12 ARG 95 2HH1 ARG 95 2.355 0.040 -29.134 741 HH21 ARG 95 1HH2 ARG 95 4.426 -2.523 -30.304 742 HH22 ARG 95 2HH2 ARG 95 3.015 -1.572 -30.622 743 H SER 96 H SER 96 6.428 2.128 -25.224 744 HA SER 96 HA SER 96 5.950 4.073 -23.065 745 HB2 SER 96 2HB SER 96 7.765 5.235 -24.824 746 HB3 SER 96 3HB SER 96 8.151 4.482 -23.277 747 HG SER 96 HG SER 96 9.355 3.629 -25.070 748 H LEU 97 H LEU 97 4.495 5.604 -23.425 749 HA LEU 97 HA LEU 97 3.477 5.983 -26.139 750 HB2 LEU 97 2HB LEU 97 2.337 7.284 -23.699 751 HB3 LEU 97 3HB LEU 97 1.530 6.833 -25.199 752 HG LEU 97 HG LEU 97 2.402 4.991 -22.977 753 HD11 LEU 97 1HD1 LEU 97 0.213 4.827 -22.378 754 HD12 LEU 97 2HD1 LEU 97 -0.376 5.180 -24.002 755 HD13 LEU 97 3HD1 LEU 97 0.218 6.486 -22.977 756 HD21 LEU 97 3HD2 LEU 97 1.092 3.320 -24.463 757 HD22 LEU 97 1HD2 LEU 97 2.774 3.685 -24.851 758 HD23 LEU 97 2HD2 LEU 97 1.472 4.445 -25.768 759 H THR 98 H THR 98 4.651 7.422 -27.251 760 HA THR 98 HA THR 98 5.916 9.681 -26.015 761 HB THR 98 HB THR 98 6.708 10.266 -28.207 762 HG1 THR 98 HG1 THR 98 5.869 9.311 -30.063 763 HG21 THR 98 3HG2 THR 98 6.919 7.429 -28.729 764 HG22 THR 98 1HG2 THR 98 7.154 7.784 -27.018 765 HG23 THR 98 2HG2 THR 98 8.164 8.574 -28.229 766 H LEU 99 H LEU 99 5.526 11.909 -26.600 767 HA LEU 99 HA LEU 99 2.931 12.764 -26.221 768 HB2 LEU 99 2HB LEU 99 5.254 14.013 -26.224 769 HB3 LEU 99 3HB LEU 99 4.761 14.448 -27.859 770 HG LEU 99 HG LEU 99 2.551 15.184 -26.553 771 HD11 LEU 99 1HD1 LEU 99 2.780 15.179 -24.348 772 HD12 LEU 99 2HD1 LEU 99 4.039 16.402 -24.518 773 HD13 LEU 99 3HD1 LEU 99 4.471 14.692 -24.477 774 HD21 LEU 99 3HD2 LEU 99 3.995 16.553 -28.032 775 HD22 LEU 99 1HD2 LEU 99 5.047 16.871 -26.653 776 HD23 LEU 99 2HD2 LEU 99 3.378 17.441 -26.638 777 H LYS 100 H LYS 100 1.232 13.314 -27.506 778 HA LYS 100 HA LYS 100 0.797 12.020 -29.904 779 HB2 LYS 100 2HB LYS 100 -1.027 13.775 -30.245 780 HB3 LYS 100 3HB LYS 100 -1.100 12.827 -28.766 781 HG2 LYS 100 2HG LYS 100 -0.583 14.603 -27.433 782 HG3 LYS 100 3HG LYS 100 0.340 15.423 -28.695 783 HD2 LYS 100 2HD LYS 100 -2.636 15.078 -28.899 784 HD3 LYS 100 3HD LYS 100 -1.923 16.426 -28.010 785 HE2 LYS 100 2HE LYS 100 -1.144 15.805 -30.844 786 HE3 LYS 100 3HE LYS 100 -2.545 16.807 -30.465 787 HZ1 LYS 100 3HZ LYS 100 -0.489 18.085 -30.872 788 HZ2 LYS 100 1HZ LYS 100 0.210 17.364 -29.510 789 HZ3 LYS 100 2HZ LYS 100 -1.145 18.361 -29.337 790 H GLU 101 H GLU 101 1.876 12.220 -31.747 791 HA GLU 101 HA GLU 101 2.266 14.877 -32.882 792 HB2 GLU 101 2HB GLU 101 4.493 12.912 -32.360 793 HB3 GLU 101 3HB GLU 101 4.629 14.202 -33.546 794 HG2 GLU 101 2HG GLU 101 3.972 15.748 -31.578 795 HG3 GLU 101 3HG GLU 101 4.453 14.383 -30.571 796 H ARG 102 H ARG 102 3.532 14.413 -35.145 797 HA ARG 102 HA ARG 102 1.677 13.269 -36.838 798 HB2 ARG 102 2HB ARG 102 4.643 13.689 -37.213 799 HB3 ARG 102 3HB ARG 102 3.573 13.171 -38.509 800 HG2 ARG 102 2HG ARG 102 3.287 15.734 -36.955 801 HG3 ARG 102 3HG ARG 102 4.031 15.585 -38.549 802 HD2 ARG 102 2HD ARG 102 1.803 14.515 -39.257 803 HD3 ARG 102 3HD ARG 102 1.161 15.202 -37.766 804 HE ARG 102 HE ARG 102 2.505 17.211 -39.194 805 HH11 ARG 102 1HH1 ARG 102 -0.365 15.249 -39.387 806 HH12 ARG 102 2HH1 ARG 102 -1.266 16.425 -40.286 807 HH21 ARG 102 1HH2 ARG 102 1.329 18.767 -40.377 808 HH22 ARG 102 2HH2 ARG 102 -0.301 18.425 -40.849 809 H SER 103 H SER 103 4.473 11.784 -35.288 810 HA SER 103 HA SER 103 5.194 9.627 -35.151 811 HB2 SER 103 2HB SER 103 2.246 9.012 -35.461 812 HB3 SER 103 3HB SER 103 3.467 7.946 -34.767 813 HG SER 103 HG SER 103 2.127 9.261 -33.272 814 H LEU 104 H LEU 104 5.524 10.650 -37.669 815 HA LEU 104 HA LEU 104 4.603 8.585 -39.529 816 HB2 LEU 104 2HB LEU 104 4.337 10.974 -40.125 817 HB3 LEU 104 3HB LEU 104 6.090 11.147 -40.091 818 HG LEU 104 HG LEU 104 6.120 9.352 -41.917 819 HD11 LEU 104 1HD1 LEU 104 4.045 8.407 -42.042 820 HD12 LEU 104 2HD1 LEU 104 3.887 9.650 -43.282 821 HD13 LEU 104 3HD1 LEU 104 3.210 9.917 -41.675 822 HD21 LEU 104 3HD2 LEU 104 6.700 11.229 -42.968 823 HD22 LEU 104 1HD2 LEU 104 5.563 12.200 -42.031 824 HD23 LEU 104 2HD2 LEU 104 5.013 11.347 -43.474 825 H GLU 105 H GLU 105 7.433 9.725 -37.890 826 HA GLU 105 HA GLU 105 9.151 7.974 -39.499 827 HB2 GLU 105 2HB GLU 105 11.020 9.120 -38.278 828 HB3 GLU 105 3HB GLU 105 10.049 10.178 -39.293 829 HG2 GLU 105 2HG GLU 105 9.160 11.299 -37.522 830 HG3 GLU 105 3HG GLU 105 9.301 9.920 -36.434 831 H HIS 106 H HIS 106 7.728 6.302 -38.232 832 HA HIS 106 HA HIS 106 8.226 5.776 -35.524 833 HB2 HIS 106 2HB HIS 106 6.405 4.761 -36.938 834 HB3 HIS 106 3HB HIS 106 7.628 3.710 -37.647 835 HD1 HIS 106 HD1 HIS 106 6.981 1.488 -36.709 836 HD2 HIS 106 HD2 HIS 106 7.216 4.430 -33.785 837 HE1 HIS 106 HE1 HIS 106 6.708 0.283 -34.519 838 H HIS 107 H HIS 107 10.341 5.827 -34.911 839 HA HIS 107 HA HIS 107 11.987 3.583 -35.796 840 HB2 HIS 107 2HB HIS 107 12.481 5.889 -37.005 841 HB3 HIS 107 3HB HIS 107 13.354 6.223 -35.512 842 HD1 HIS 107 HD1 HIS 107 15.605 6.202 -36.809 843 HD2 HIS 107 HD2 HIS 107 13.531 2.603 -36.908 844 HE1 HIS 107 HE1 HIS 107 17.250 4.501 -37.662 845 H HIS 108 H HIS 108 13.701 3.048 -34.322 846 HA HIS 108 HA HIS 108 14.429 2.557 -32.219 847 HB2 HIS 108 2HB HIS 108 15.196 5.008 -32.662 848 HB3 HIS 108 3HB HIS 108 13.966 5.428 -31.473 849 HD1 HIS 108 HD1 HIS 108 16.723 2.793 -31.573 850 HD2 HIS 108 HD2 HIS 108 15.146 5.711 -29.071 851 HE1 HIS 108 HE1 HIS 108 18.092 2.683 -29.466 852 H HIS 109 H HIS 109 11.820 1.882 -32.506 853 HA HIS 109 HA HIS 109 10.517 2.806 -30.034 854 HB2 HIS 109 2HB HIS 109 9.329 3.045 -32.288 855 HB3 HIS 109 3HB HIS 109 9.171 1.292 -32.266 856 HD1 HIS 109 HD1 HIS 109 7.365 0.299 -30.795 857 HD2 HIS 109 HD2 HIS 109 7.824 4.394 -30.270 858 HE1 HIS 109 HE1 HIS 109 5.412 1.019 -29.384 859 H HIS 110 H HIS 110 9.808 1.346 -28.511 860 HA HIS 110 HA HIS 110 11.226 -1.112 -28.341 861 HB2 HIS 110 2HB HIS 110 10.252 0.476 -26.466 862 HB3 HIS 110 3HB HIS 110 8.842 -0.569 -26.621 863 HD1 HIS 110 HD1 HIS 110 8.921 -2.108 -24.687 864 HD2 HIS 110 HD2 HIS 110 12.661 -1.617 -26.427 865 HE1 HIS 110 HE1 HIS 110 10.448 -3.678 -23.452 866 H HIS 111 H HIS 111 10.746 -2.885 -29.443 867 HA HIS 111 HA HIS 111 8.312 -3.322 -30.788 868 HB2 HIS 111 2HB HIS 111 10.719 -4.376 -31.096 869 HB3 HIS 111 3HB HIS 111 10.061 -5.627 -30.046 870 HD1 HIS 111 HD1 HIS 111 9.287 -3.941 -33.354 871 HD2 HIS 111 HD2 HIS 111 8.549 -7.492 -31.328 872 HE1 HIS 111 HE1 HIS 111 8.121 -5.431 -35.011 Start of MODEL 9 1 H1 ASP 1 H ASP 1 5.863 -1.523 -7.719 2 HA ASP 1 HA ASP 1 8.701 -1.133 -7.033 3 HB2 ASP 1 2HB ASP 1 7.571 -3.712 -8.083 4 HB3 ASP 1 3HB ASP 1 9.033 -3.450 -7.136 5 H LEU 2 H LEU 2 10.239 -1.105 -8.629 6 HA LEU 2 HA LEU 2 9.253 -0.588 -11.315 7 HB2 LEU 2 2HB LEU 2 11.764 -0.064 -9.824 8 HB3 LEU 2 3HB LEU 2 11.875 -0.223 -11.576 9 HG LEU 2 HG LEU 2 9.982 1.567 -11.588 10 HD11 LEU 2 1HD1 LEU 2 9.480 1.603 -9.248 11 HD12 LEU 2 2HD1 LEU 2 10.221 3.143 -9.680 12 HD13 LEU 2 3HD1 LEU 2 11.168 1.915 -8.841 13 HD21 LEU 2 3HD2 LEU 2 11.701 2.644 -12.490 14 HD22 LEU 2 1HD2 LEU 2 12.852 1.686 -11.558 15 HD23 LEU 2 2HD2 LEU 2 12.171 3.160 -10.869 16 H THR 3 H THR 3 8.646 -2.768 -11.814 17 HA THR 3 HA THR 3 10.277 -5.006 -11.721 18 HB THR 3 HB THR 3 8.915 -5.701 -13.842 19 HG1 THR 3 HG1 THR 3 7.001 -4.419 -14.041 20 HG21 THR 3 3HG2 THR 3 6.883 -6.050 -12.387 21 HG22 THR 3 1HG2 THR 3 7.714 -5.126 -11.138 22 HG23 THR 3 2HG2 THR 3 8.402 -6.643 -11.717 23 H VAL 4 H VAL 4 12.242 -5.266 -12.539 24 HA VAL 4 HA VAL 4 13.492 -3.671 -14.423 25 HB VAL 4 HB VAL 4 15.127 -5.508 -14.703 26 HG11 VAL 4 1HG1 VAL 4 14.273 -5.017 -11.852 27 HG12 VAL 4 2HG1 VAL 4 15.861 -5.585 -12.372 28 HG13 VAL 4 3HG1 VAL 4 15.312 -3.969 -12.818 29 HG21 VAL 4 3HG2 VAL 4 14.099 -7.279 -12.692 30 HG22 VAL 4 1HG2 VAL 4 12.940 -7.124 -14.012 31 HG23 VAL 4 2HG2 VAL 4 14.594 -7.636 -14.347 32 H ARG 5 H ARG 5 14.217 -4.202 -16.606 33 HA ARG 5 HA ARG 5 12.020 -5.040 -18.243 34 HB2 ARG 5 2HB ARG 5 14.854 -4.271 -18.959 35 HB3 ARG 5 3HB ARG 5 13.573 -4.564 -20.128 36 HG2 ARG 5 2HG ARG 5 12.480 -2.615 -19.629 37 HG3 ARG 5 3HG ARG 5 13.124 -2.548 -17.987 38 HD2 ARG 5 2HD ARG 5 14.120 -0.808 -19.350 39 HD3 ARG 5 3HD ARG 5 15.338 -1.997 -18.894 40 HE ARG 5 HE ARG 5 14.361 -2.783 -21.358 41 HH11 ARG 5 1HH1 ARG 5 16.014 -0.027 -20.018 42 HH12 ARG 5 2HH1 ARG 5 16.825 0.369 -21.497 43 HH21 ARG 5 1HH2 ARG 5 15.423 -2.272 -23.310 44 HH22 ARG 5 2HH2 ARG 5 16.488 -0.908 -23.369 45 H GLN 6 H GLN 6 11.809 -7.240 -17.502 46 HA GLN 6 HA GLN 6 13.889 -9.053 -18.525 47 HB2 GLN 6 2HB GLN 6 13.088 -9.070 -16.044 48 HB3 GLN 6 3HB GLN 6 11.685 -9.916 -16.683 49 HG2 GLN 6 2HG GLN 6 12.965 -11.744 -17.387 50 HG3 GLN 6 3HG GLN 6 14.477 -10.850 -17.239 51 HE21 GLN 6 1HE2 GLN 6 12.693 -13.200 -15.874 52 HE22 GLN 6 2HE2 GLN 6 13.253 -13.102 -14.243 53 H LYS 7 H LYS 7 13.018 -11.193 -19.320 54 HA LYS 7 HA LYS 7 10.423 -10.927 -20.658 55 HB2 LYS 7 2HB LYS 7 12.041 -10.221 -22.316 56 HB3 LYS 7 3HB LYS 7 13.027 -11.646 -22.015 57 HG2 LYS 7 2HG LYS 7 11.500 -13.069 -23.062 58 HG3 LYS 7 3HG LYS 7 10.200 -11.879 -22.981 59 HD2 LYS 7 2HD LYS 7 11.005 -10.677 -24.768 60 HD3 LYS 7 3HD LYS 7 12.668 -11.212 -24.515 61 HE2 LYS 7 2HE LYS 7 12.011 -12.339 -26.446 62 HE3 LYS 7 3HE LYS 7 11.804 -13.539 -25.172 63 HZ1 LYS 7 3HZ LYS 7 9.430 -12.924 -25.103 64 HZ2 LYS 7 1HZ LYS 7 9.899 -13.568 -26.595 65 HZ3 LYS 7 2HZ LYS 7 9.671 -11.900 -26.428 66 H GLY 8 H GLY 8 9.352 -12.536 -19.657 67 HA2 GLY 8 2HA GLY 8 9.421 -15.132 -20.310 68 HA3 GLY 8 3HA GLY 8 10.672 -15.059 -19.078 69 H ASN 9 H ASN 9 9.038 -12.831 -17.774 70 HA ASN 9 HA ASN 9 7.749 -14.435 -15.857 71 HB2 ASN 9 2HB ASN 9 7.539 -11.479 -16.452 72 HB3 ASN 9 3HB ASN 9 6.769 -12.246 -15.066 73 HD21 ASN 9 1HD2 ASN 9 8.313 -13.623 -13.736 74 HD22 ASN 9 2HD2 ASN 9 9.858 -12.923 -13.404 75 H LYS 10 H LYS 10 6.187 -15.769 -16.654 76 HA LYS 10 HA LYS 10 4.263 -15.129 -18.575 77 HB2 LYS 10 2HB LYS 10 4.890 -17.427 -17.664 78 HB3 LYS 10 3HB LYS 10 3.821 -17.074 -16.312 79 HG2 LYS 10 2HG LYS 10 1.920 -17.138 -17.628 80 HG3 LYS 10 3HG LYS 10 2.821 -16.855 -19.120 81 HD2 LYS 10 2HD LYS 10 3.928 -19.143 -18.576 82 HD3 LYS 10 3HD LYS 10 2.524 -19.376 -17.533 83 HE2 LYS 10 2HE LYS 10 1.047 -19.402 -19.306 84 HE3 LYS 10 3HE LYS 10 2.128 -18.488 -20.356 85 HZ1 LYS 10 3HZ LYS 10 1.832 -20.952 -20.833 86 HZ2 LYS 10 1HZ LYS 10 2.793 -21.227 -19.468 87 HZ3 LYS 10 2HZ LYS 10 3.417 -20.364 -20.782 88 H VAL 11 H VAL 11 2.486 -13.919 -18.531 89 HA VAL 11 HA VAL 11 1.511 -12.978 -15.918 90 HB VAL 11 HB VAL 11 2.331 -11.389 -17.867 91 HG11 VAL 11 1HG1 VAL 11 0.516 -12.539 -19.349 92 HG12 VAL 11 2HG1 VAL 11 -0.578 -11.414 -18.541 93 HG13 VAL 11 3HG1 VAL 11 0.788 -10.802 -19.474 94 HG21 VAL 11 3HG2 VAL 11 -0.182 -10.368 -16.748 95 HG22 VAL 11 1HG2 VAL 11 0.925 -11.059 -15.562 96 HG23 VAL 11 2HG2 VAL 11 1.462 -9.743 -16.607 97 H ILE 12 H ILE 12 -0.919 -12.256 -16.139 98 HA ILE 12 HA ILE 12 -2.370 -14.642 -17.018 99 HB ILE 12 HB ILE 12 -3.424 -12.375 -15.330 100 HG12 ILE 12 2HG1 ILE 12 -2.242 -15.010 -14.427 101 HG13 ILE 12 3HG1 ILE 12 -1.469 -13.438 -14.255 102 HG21 ILE 12 1HG2 ILE 12 -4.594 -14.950 -14.855 103 HG22 ILE 12 2HG2 ILE 12 -5.364 -13.452 -15.377 104 HG23 ILE 12 3HG2 ILE 12 -4.679 -14.554 -16.571 105 HD11 ILE 12 3HD1 ILE 12 -3.308 -14.729 -12.517 106 HD12 ILE 12 1HD1 ILE 12 -2.462 -13.197 -12.300 107 HD13 ILE 12 2HD1 ILE 12 -4.033 -13.232 -13.103 108 H LYS 13 H LYS 13 -3.647 -14.632 -18.746 109 HA LYS 13 HA LYS 13 -3.774 -12.587 -20.593 110 HB2 LYS 13 2HB LYS 13 -5.880 -13.796 -21.414 111 HB3 LYS 13 3HB LYS 13 -4.386 -14.723 -21.353 112 HG2 LYS 13 2HG LYS 13 -5.068 -15.897 -19.434 113 HG3 LYS 13 3HG LYS 13 -6.390 -14.771 -19.119 114 HD2 LYS 13 2HD LYS 13 -7.303 -16.798 -20.035 115 HD3 LYS 13 3HD LYS 13 -7.454 -15.515 -21.239 116 HE2 LYS 13 2HE LYS 13 -5.825 -16.419 -22.598 117 HE3 LYS 13 3HE LYS 13 -5.047 -17.279 -21.271 118 HZ1 LYS 13 3HZ LYS 13 -6.119 -18.901 -22.563 119 HZ2 LYS 13 1HZ LYS 13 -7.545 -17.999 -22.689 120 HZ3 LYS 13 2HZ LYS 13 -7.113 -18.694 -21.209 121 HA PRO 14 HA PRO 14 -6.688 -9.623 -19.183 122 HB2 PRO 14 2HB PRO 14 -7.901 -8.897 -21.501 123 HB3 PRO 14 3HB PRO 14 -6.243 -8.435 -21.098 124 HG2 PRO 14 2HG PRO 14 -7.218 -10.652 -22.858 125 HG3 PRO 14 3HG PRO 14 -5.882 -9.517 -23.125 126 HD2 PRO 14 2HD PRO 14 -5.489 -12.052 -22.259 127 HD3 PRO 14 3HD PRO 14 -4.437 -10.705 -21.778 128 H ASP 15 H ASP 15 -8.851 -9.313 -18.644 129 HA ASP 15 HA ASP 15 -10.788 -11.281 -19.632 130 HB2 ASP 15 2HB ASP 15 -9.670 -11.857 -17.334 131 HB3 ASP 15 3HB ASP 15 -10.747 -10.610 -16.711 132 H GLU 16 H GLU 16 -13.008 -10.662 -19.338 133 HA GLU 16 HA GLU 16 -13.417 -7.865 -19.743 134 HB2 GLU 16 2HB GLU 16 -15.433 -10.087 -19.362 135 HB3 GLU 16 3HB GLU 16 -15.799 -8.464 -19.930 136 HG2 GLU 16 2HG GLU 16 -13.766 -10.038 -21.411 137 HG3 GLU 16 3HG GLU 16 -15.463 -10.478 -21.592 138 H THR 17 H THR 17 -13.622 -10.012 -17.030 139 HA THR 17 HA THR 17 -15.323 -8.462 -15.384 140 HB THR 17 HB THR 17 -14.787 -10.852 -14.954 141 HG1 THR 17 HG1 THR 17 -15.392 -9.128 -13.272 142 HG21 THR 17 3HG2 THR 17 -12.170 -9.835 -13.854 143 HG22 THR 17 1HG2 THR 17 -12.328 -10.603 -15.433 144 HG23 THR 17 2HG2 THR 17 -12.714 -11.508 -13.970 145 H ARG 18 H ARG 18 -11.970 -8.217 -16.210 146 HA ARG 18 HA ARG 18 -10.992 -6.795 -14.010 147 HB2 ARG 18 2HB ARG 18 -10.173 -6.508 -16.907 148 HB3 ARG 18 3HB ARG 18 -9.226 -6.014 -15.510 149 HG2 ARG 18 2HG ARG 18 -9.308 -8.455 -14.794 150 HG3 ARG 18 3HG ARG 18 -9.889 -8.790 -16.426 151 HD2 ARG 18 2HD ARG 18 -7.627 -9.069 -16.705 152 HD3 ARG 18 3HD ARG 18 -7.808 -7.367 -17.130 153 HE ARG 18 HE ARG 18 -7.225 -7.806 -14.351 154 HH11 ARG 18 1HH1 ARG 18 -5.868 -7.410 -17.532 155 HH12 ARG 18 2HH1 ARG 18 -4.334 -6.854 -16.951 156 HH21 ARG 18 1HH2 ARG 18 -5.209 -7.075 -13.573 157 HH22 ARG 18 2HH2 ARG 18 -3.960 -6.664 -14.699 158 H VAL 19 H VAL 19 -10.047 -4.405 -14.651 159 HA VAL 19 HA VAL 19 -12.406 -2.746 -14.637 160 HB VAL 19 HB VAL 19 -9.524 -1.851 -14.596 161 HG11 VAL 19 1HG1 VAL 19 -12.145 -0.533 -13.980 162 HG12 VAL 19 2HG1 VAL 19 -10.637 0.055 -13.275 163 HG13 VAL 19 3HG1 VAL 19 -10.840 0.024 -15.027 164 HG21 VAL 19 3HG2 VAL 19 -9.811 -1.765 -12.126 165 HG22 VAL 19 1HG2 VAL 19 -11.338 -2.626 -12.316 166 HG23 VAL 19 2HG2 VAL 19 -9.824 -3.400 -12.785 167 H LYS 20 H LYS 20 -13.150 -1.456 -16.225 168 HA LYS 20 HA LYS 20 -11.542 -1.201 -18.676 169 HB2 LYS 20 2HB LYS 20 -13.766 -1.340 -19.924 170 HB3 LYS 20 3HB LYS 20 -13.120 -2.843 -19.278 171 HG2 LYS 20 2HG LYS 20 -15.000 -1.317 -17.571 172 HG3 LYS 20 3HG LYS 20 -15.657 -2.147 -18.983 173 HD2 LYS 20 2HD LYS 20 -15.175 -4.225 -18.155 174 HD3 LYS 20 3HD LYS 20 -13.799 -3.649 -17.212 175 HE2 LYS 20 2HE LYS 20 -15.328 -4.100 -15.552 176 HE3 LYS 20 3HE LYS 20 -15.633 -2.389 -15.846 177 HZ1 LYS 20 3HZ LYS 20 -17.743 -3.217 -15.899 178 HZ2 LYS 20 1HZ LYS 20 -17.279 -4.715 -16.532 179 HZ3 LYS 20 2HZ LYS 20 -17.352 -3.358 -17.538 180 H GLN 21 H GLN 21 -10.997 0.893 -17.779 181 HA GLN 21 HA GLN 21 -12.943 2.864 -17.214 182 HB2 GLN 21 2HB GLN 21 -10.005 2.897 -17.774 183 HB3 GLN 21 3HB GLN 21 -10.891 4.416 -17.750 184 HG2 GLN 21 2HG GLN 21 -11.711 3.790 -15.467 185 HG3 GLN 21 3HG GLN 21 -10.583 2.436 -15.511 186 HE21 GLN 21 1HE2 GLN 21 -8.469 2.783 -15.107 187 HE22 GLN 21 2HE2 GLN 21 -7.792 4.324 -14.716 188 H PHE 22 H PHE 22 -12.663 5.067 -18.547 189 HA PHE 22 HA PHE 22 -13.932 4.582 -21.040 190 HB2 PHE 22 2HB PHE 22 -14.490 6.563 -19.769 191 HB3 PHE 22 3HB PHE 22 -12.822 7.121 -19.830 192 HD1 PHE 22 HD1 PHE 22 -15.509 6.073 -22.200 193 HD2 PHE 22 HD2 PHE 22 -12.340 8.778 -21.332 194 HE1 PHE 22 HE1 PHE 22 -16.005 7.312 -24.268 195 HE2 PHE 22 HE2 PHE 22 -12.831 10.022 -23.398 196 HZ PHE 22 HZ PHE 22 -14.666 9.290 -24.868 197 H LEU 23 H LEU 23 -10.702 5.742 -20.148 198 HA LEU 23 HA LEU 23 -9.847 5.950 -22.887 199 HB2 LEU 23 2HB LEU 23 -8.282 6.044 -20.312 200 HB3 LEU 23 3HB LEU 23 -7.631 6.411 -21.909 201 HG LEU 23 HG LEU 23 -8.010 8.500 -20.950 202 HD11 LEU 23 1HD1 LEU 23 -9.611 9.517 -22.332 203 HD12 LEU 23 2HD1 LEU 23 -10.610 8.065 -22.389 204 HD13 LEU 23 3HD1 LEU 23 -9.061 8.102 -23.232 205 HD21 LEU 23 3HD2 LEU 23 -9.599 7.289 -19.182 206 HD22 LEU 23 1HD2 LEU 23 -10.834 8.039 -20.193 207 HD23 LEU 23 2HD2 LEU 23 -9.600 9.037 -19.424 208 H GLU 24 H GLU 24 -9.760 3.545 -20.379 209 HA GLU 24 HA GLU 24 -7.688 1.926 -21.385 210 HB2 GLU 24 2HB GLU 24 -10.005 1.491 -19.549 211 HB3 GLU 24 3HB GLU 24 -9.126 0.090 -20.147 212 HG2 GLU 24 2HG GLU 24 -7.385 2.194 -19.136 213 HG3 GLU 24 3HG GLU 24 -8.494 1.557 -17.924 214 H GLY 25 H GLY 25 -10.810 2.557 -22.571 215 HA2 GLY 25 2HA GLY 25 -11.250 0.040 -23.879 216 HA3 GLY 25 3HA GLY 25 -12.141 1.529 -24.155 217 H PHE 26 H PHE 26 -9.047 2.440 -24.470 218 HA PHE 26 HA PHE 26 -8.983 1.802 -27.347 219 HB2 PHE 26 2HB PHE 26 -7.970 4.337 -26.045 220 HB3 PHE 26 3HB PHE 26 -8.026 3.989 -27.770 221 HD1 PHE 26 HD1 PHE 26 -10.089 4.652 -24.784 222 HD2 PHE 26 HD2 PHE 26 -9.992 4.343 -29.028 223 HE1 PHE 26 HE1 PHE 26 -12.337 5.645 -24.905 224 HE2 PHE 26 HE2 PHE 26 -12.239 5.336 -29.156 225 HZ PHE 26 HZ PHE 26 -13.414 5.989 -27.093 226 H ASN 27 H ASN 27 -6.818 1.843 -28.325 227 HA ASN 27 HA ASN 27 -5.021 0.186 -26.977 228 HB2 ASN 27 2HB ASN 27 -4.954 1.785 -29.483 229 HB3 ASN 27 3HB ASN 27 -3.407 1.242 -28.840 230 HD21 ASN 27 1HD2 ASN 27 -6.131 0.409 -30.632 231 HD22 ASN 27 2HD2 ASN 27 -5.817 -1.282 -30.795 232 H ILE 28 H ILE 28 -2.925 0.575 -26.141 233 HA ILE 28 HA ILE 28 -2.736 3.054 -24.667 234 HB ILE 28 HB ILE 28 -2.174 0.865 -23.630 235 HG12 ILE 28 2HG1 ILE 28 -0.112 1.651 -22.507 236 HG13 ILE 28 3HG1 ILE 28 0.081 2.880 -23.752 237 HG21 ILE 28 1HG2 ILE 28 -0.964 0.144 -25.825 238 HG22 ILE 28 2HG2 ILE 28 0.438 0.903 -25.072 239 HG23 ILE 28 3HG2 ILE 28 -0.380 -0.434 -24.264 240 HD11 ILE 28 3HD1 ILE 28 -1.185 4.257 -22.584 241 HD12 ILE 28 1HD1 ILE 28 -2.530 3.121 -22.680 242 HD13 ILE 28 2HD1 ILE 28 -1.385 3.022 -21.342 243 H GLU 29 H GLU 29 -1.371 1.670 -27.523 244 HA GLU 29 HA GLU 29 0.939 3.375 -27.611 245 HB2 GLU 29 2HB GLU 29 1.318 2.446 -29.814 246 HB3 GLU 29 3HB GLU 29 0.886 1.154 -28.702 247 HG2 GLU 29 2HG GLU 29 -1.329 1.038 -29.591 248 HG3 GLU 29 3HG GLU 29 -1.059 2.473 -30.578 249 H THR 30 H THR 30 -2.358 3.559 -28.661 250 HA THR 30 HA THR 30 -2.077 5.550 -30.646 251 HB THR 30 HB THR 30 -4.495 5.983 -30.284 252 HG1 THR 30 HG1 THR 30 -5.497 5.222 -28.554 253 HG21 THR 30 3HG2 THR 30 -4.018 4.245 -31.810 254 HG22 THR 30 1HG2 THR 30 -5.242 3.588 -30.725 255 HG23 THR 30 2HG2 THR 30 -3.550 3.135 -30.522 256 H PHE 31 H PHE 31 -1.917 5.666 -27.223 257 HA PHE 31 HA PHE 31 -2.606 8.458 -26.992 258 HB2 PHE 31 2HB PHE 31 -1.333 6.587 -24.982 259 HB3 PHE 31 3HB PHE 31 -1.961 8.194 -24.633 260 HD1 PHE 31 HD1 PHE 31 -4.447 8.021 -26.350 261 HD2 PHE 31 HD2 PHE 31 -2.711 5.313 -23.562 262 HE1 PHE 31 HE1 PHE 31 -6.668 7.057 -25.908 263 HE2 PHE 31 HE2 PHE 31 -4.929 4.345 -23.116 264 HZ PHE 31 HZ PHE 31 -6.911 5.216 -24.290 265 H GLU 32 H GLU 32 -1.085 10.037 -26.048 266 HA GLU 32 HA GLU 32 1.740 9.538 -26.486 267 HB2 GLU 32 2HB GLU 32 0.297 11.728 -27.991 268 HB3 GLU 32 3HB GLU 32 2.032 11.439 -27.999 269 HG2 GLU 32 2HG GLU 32 1.669 9.269 -29.056 270 HG3 GLU 32 3HG GLU 32 -0.070 9.556 -29.047 271 H MET 33 H MET 33 2.961 10.625 -25.064 272 HA MET 33 HA MET 33 1.856 11.998 -22.914 273 HB2 MET 33 2HB MET 33 4.030 11.024 -22.698 274 HB3 MET 33 3HB MET 33 4.664 11.995 -24.020 275 HG2 MET 33 2HG MET 33 4.339 14.017 -22.657 276 HG3 MET 33 3HG MET 33 3.781 13.005 -21.327 277 HE1 MET 33 3HE MET 33 6.744 13.807 -19.576 278 HE2 MET 33 1HE MET 33 6.944 14.932 -20.920 279 HE3 MET 33 2HE MET 33 5.333 14.595 -20.286 280 H VAL 34 H VAL 34 0.836 13.883 -22.919 281 HA VAL 34 HA VAL 34 1.501 15.893 -24.933 282 HB VAL 34 HB VAL 34 -0.863 15.360 -24.653 283 HG11 VAL 34 1HG1 VAL 34 -1.961 16.180 -22.493 284 HG12 VAL 34 2HG1 VAL 34 -1.079 14.652 -22.431 285 HG13 VAL 34 3HG1 VAL 34 -0.342 16.124 -21.797 286 HG21 VAL 34 3HG2 VAL 34 -0.340 18.115 -23.551 287 HG22 VAL 34 1HG2 VAL 34 -0.096 17.676 -25.242 288 HG23 VAL 34 2HG2 VAL 34 -1.707 17.586 -24.531 289 H GLY 35 H GLY 35 1.864 15.251 -21.556 290 HA2 GLY 35 2HA GLY 35 3.687 17.377 -21.182 291 HA3 GLY 35 3HA GLY 35 2.123 17.832 -20.523 292 H THR 36 H THR 36 3.671 17.906 -18.588 293 HA THR 36 HA THR 36 3.170 15.530 -17.019 294 HB THR 36 HB THR 36 5.771 15.862 -16.289 295 HG1 THR 36 HG1 THR 36 5.522 16.471 -19.041 296 HG21 THR 36 3HG2 THR 36 4.652 13.729 -16.691 297 HG22 THR 36 1HG2 THR 36 6.210 13.779 -17.513 298 HG23 THR 36 2HG2 THR 36 4.722 14.008 -18.431 299 H LEU 37 H LEU 37 2.555 16.154 -15.057 300 HA LEU 37 HA LEU 37 3.273 18.856 -14.158 301 HB2 LEU 37 2HB LEU 37 0.829 17.665 -14.339 302 HB3 LEU 37 3HB LEU 37 1.240 17.374 -12.650 303 HG LEU 37 HG LEU 37 -0.130 19.396 -12.977 304 HD11 LEU 37 1HD1 LEU 37 0.904 20.495 -11.299 305 HD12 LEU 37 2HD1 LEU 37 2.467 20.501 -12.115 306 HD13 LEU 37 3HD1 LEU 37 1.915 19.049 -11.280 307 HD21 LEU 37 3HD2 LEU 37 0.952 19.915 -15.227 308 HD22 LEU 37 1HD2 LEU 37 2.262 20.642 -14.297 309 HD23 LEU 37 2HD2 LEU 37 0.623 21.279 -14.157 310 H SER 38 H SER 38 4.022 19.226 -12.058 311 HA SER 38 HA SER 38 4.544 17.007 -10.284 312 HB2 SER 38 2HB SER 38 6.443 17.036 -11.989 313 HB3 SER 38 3HB SER 38 6.924 18.577 -11.279 314 HG SER 38 HG SER 38 6.594 16.190 -9.785 315 H ASN 39 H ASN 39 4.287 17.697 -8.269 316 HA ASN 39 HA ASN 39 5.322 20.189 -7.332 317 HB2 ASN 39 2HB ASN 39 3.289 21.340 -6.844 318 HB3 ASN 39 3HB ASN 39 3.205 20.869 -8.539 319 HD21 ASN 39 1HD2 ASN 39 2.319 18.449 -8.668 320 HD22 ASN 39 2HD2 ASN 39 0.811 18.237 -7.852 321 H ALA 40 H ALA 40 3.873 20.582 -5.065 322 HA ALA 40 HA ALA 40 4.857 18.714 -3.286 323 HB1 ALA 40 1HB ALA 40 3.053 19.636 -1.720 324 HB2 ALA 40 2HB ALA 40 4.227 20.774 -2.383 325 HB3 ALA 40 3HB ALA 40 2.605 20.682 -3.068 326 H GLN 41 H GLN 41 1.818 18.718 -5.034 327 HA GLN 41 HA GLN 41 0.500 16.709 -3.573 328 HB2 GLN 41 2HB GLN 41 0.081 18.173 -6.020 329 HB3 GLN 41 3HB GLN 41 -0.316 16.476 -6.256 330 HG2 GLN 41 2HG GLN 41 -1.479 18.366 -4.229 331 HG3 GLN 41 3HG GLN 41 -2.296 17.613 -5.597 332 HE21 GLN 41 1HE2 GLN 41 -3.256 17.459 -3.000 333 HE22 GLN 41 2HE2 GLN 41 -3.160 15.820 -2.464 334 H GLY 42 H GLY 42 2.881 16.579 -6.141 335 HA2 GLY 42 2HA GLY 42 4.171 14.347 -5.769 336 HA3 GLY 42 3HA GLY 42 2.633 13.656 -6.267 337 H THR 43 H THR 43 3.832 12.673 -8.012 338 HA THR 43 HA THR 43 4.518 14.558 -10.169 339 HB THR 43 HB THR 43 5.341 11.684 -10.262 340 HG1 THR 43 HG1 THR 43 6.498 11.951 -8.517 341 HG21 THR 43 3HG2 THR 43 6.073 12.640 -12.189 342 HG22 THR 43 1HG2 THR 43 7.428 13.109 -11.164 343 HG23 THR 43 2HG2 THR 43 6.131 14.258 -11.493 344 H PHE 44 H PHE 44 3.002 14.742 -11.672 345 HA PHE 44 HA PHE 44 1.385 12.369 -12.337 346 HB2 PHE 44 2HB PHE 44 0.528 15.244 -12.689 347 HB3 PHE 44 3HB PHE 44 -0.470 13.802 -12.840 348 HD1 PHE 44 HD1 PHE 44 1.165 16.101 -10.515 349 HD2 PHE 44 HD2 PHE 44 -1.298 12.650 -10.890 350 HE1 PHE 44 HE1 PHE 44 0.541 16.293 -8.143 351 HE2 PHE 44 HE2 PHE 44 -1.927 12.837 -8.519 352 HZ PHE 44 HZ PHE 44 -1.008 14.660 -7.142 353 H ALA 45 H ALA 45 0.804 12.064 -14.536 354 HA ALA 45 HA ALA 45 2.557 13.480 -16.438 355 HB1 ALA 45 1HB ALA 45 3.466 11.496 -16.866 356 HB2 ALA 45 2HB ALA 45 2.243 10.653 -15.915 357 HB3 ALA 45 3HB ALA 45 1.931 11.042 -17.607 358 H LEU 46 H LEU 46 1.631 14.377 -18.184 359 HA LEU 46 HA LEU 46 -1.269 14.106 -18.464 360 HB2 LEU 46 2HB LEU 46 0.459 16.063 -19.939 361 HB3 LEU 46 3HB LEU 46 -1.264 16.166 -19.583 362 HG LEU 46 HG LEU 46 1.007 16.517 -17.628 363 HD11 LEU 46 1HD1 LEU 46 0.730 18.742 -17.817 364 HD12 LEU 46 2HD1 LEU 46 -1.011 18.614 -18.060 365 HD13 LEU 46 3HD1 LEU 46 0.090 18.323 -19.406 366 HD21 LEU 46 3HD2 LEU 46 -0.602 15.581 -16.280 367 HD22 LEU 46 1HD2 LEU 46 -1.935 16.196 -17.258 368 HD23 LEU 46 2HD2 LEU 46 -1.044 17.286 -16.195 369 H VAL 47 H VAL 47 -2.099 12.864 -19.999 370 HA VAL 47 HA VAL 47 -0.494 12.346 -22.417 371 HB VAL 47 HB VAL 47 -0.749 10.382 -20.812 372 HG11 VAL 47 1HG1 VAL 47 -3.375 9.736 -21.924 373 HG12 VAL 47 2HG1 VAL 47 -2.755 9.535 -20.284 374 HG13 VAL 47 3HG1 VAL 47 -3.386 11.098 -20.804 375 HG21 VAL 47 3HG2 VAL 47 -1.836 9.961 -23.592 376 HG22 VAL 47 1HG2 VAL 47 -0.131 10.226 -23.224 377 HG23 VAL 47 2HG2 VAL 47 -0.957 8.799 -22.598 378 H LYS 48 H LYS 48 -1.734 11.843 -24.348 379 HA LYS 48 HA LYS 48 -4.409 13.081 -24.318 380 HB2 LYS 48 2HB LYS 48 -2.780 14.499 -25.468 381 HB3 LYS 48 3HB LYS 48 -2.330 13.157 -26.513 382 HG2 LYS 48 2HG LYS 48 -4.850 13.161 -27.154 383 HG3 LYS 48 3HG LYS 48 -4.816 14.805 -26.512 384 HD2 LYS 48 2HD LYS 48 -2.667 14.969 -28.052 385 HD3 LYS 48 3HD LYS 48 -3.489 13.671 -28.921 386 HE2 LYS 48 2HE LYS 48 -5.386 15.026 -29.334 387 HE3 LYS 48 3HE LYS 48 -4.849 16.252 -28.187 388 HZ1 LYS 48 3HZ LYS 48 -2.948 15.756 -30.278 389 HZ2 LYS 48 1HZ LYS 48 -3.585 17.221 -29.723 390 HZ3 LYS 48 2HZ LYS 48 -4.435 16.308 -30.865 391 H GLY 49 H GLY 49 -6.051 12.066 -25.395 392 HA2 GLY 49 2HA GLY 49 -5.622 9.950 -27.265 393 HA3 GLY 49 3HA GLY 49 -6.057 9.325 -25.681 394 H ALA 50 H ALA 50 -7.996 8.463 -26.507 395 HA ALA 50 HA ALA 50 -9.929 9.724 -27.999 396 HB1 ALA 50 1HB ALA 50 -10.337 7.778 -25.732 397 HB2 ALA 50 2HB ALA 50 -11.549 8.200 -26.942 398 HB3 ALA 50 3HB ALA 50 -10.067 7.377 -27.428 399 H GLY 51 H GLY 51 -9.407 9.919 -24.501 400 HA2 GLY 51 2HA GLY 51 -11.667 11.723 -24.182 401 HA3 GLY 51 3HA GLY 51 -10.620 11.125 -22.904 402 H GLY 52 H GLY 52 -9.488 12.646 -25.868 403 HA2 GLY 52 2HA GLY 52 -8.376 14.622 -26.237 404 HA3 GLY 52 3HA GLY 52 -9.222 15.267 -24.839 405 H VAL 53 H VAL 53 -8.260 15.122 -22.782 406 HA VAL 53 HA VAL 53 -5.443 14.280 -22.750 407 HB VAL 53 HB VAL 53 -5.121 16.306 -21.151 408 HG11 VAL 53 1HG1 VAL 53 -4.075 15.955 -23.392 409 HG12 VAL 53 2HG1 VAL 53 -5.422 16.848 -24.100 410 HG13 VAL 53 3HG1 VAL 53 -4.333 17.646 -22.966 411 HG21 VAL 53 3HG2 VAL 53 -6.508 18.204 -21.537 412 HG22 VAL 53 1HG2 VAL 53 -7.376 17.380 -22.833 413 HG23 VAL 53 2HG2 VAL 53 -7.573 16.848 -21.163 414 H HIS 54 H HIS 54 -5.103 12.856 -21.187 415 HA HIS 54 HA HIS 54 -6.803 12.972 -18.781 416 HB2 HIS 54 2HB HIS 54 -5.534 10.396 -19.233 417 HB3 HIS 54 3HB HIS 54 -7.231 10.776 -18.954 418 HD1 HIS 54 HD1 HIS 54 -5.177 9.276 -21.393 419 HD2 HIS 54 HD2 HIS 54 -8.371 11.928 -21.554 420 HE1 HIS 54 HE1 HIS 54 -6.076 9.104 -23.735 421 H ARG 55 H ARG 55 -5.845 12.823 -16.793 422 HA ARG 55 HA ARG 55 -2.907 12.970 -16.781 423 HB2 ARG 55 2HB ARG 55 -3.095 14.193 -14.697 424 HB3 ARG 55 3HB ARG 55 -4.105 14.954 -15.919 425 HG2 ARG 55 2HG ARG 55 -6.045 13.673 -14.937 426 HG3 ARG 55 3HG ARG 55 -4.971 13.254 -13.601 427 HD2 ARG 55 2HD ARG 55 -5.434 15.200 -12.639 428 HD3 ARG 55 3HD ARG 55 -4.737 16.037 -14.025 429 HE ARG 55 HE ARG 55 -7.225 15.459 -14.878 430 HH11 ARG 55 1HH1 ARG 55 -6.014 16.947 -11.973 431 HH12 ARG 55 2HH1 ARG 55 -7.414 17.941 -11.743 432 HH21 ARG 55 1HH2 ARG 55 -9.074 16.762 -14.586 433 HH22 ARG 55 2HH2 ARG 55 -9.154 17.834 -13.229 434 H VAL 56 H VAL 56 -1.773 11.394 -15.856 435 HA VAL 56 HA VAL 56 -3.037 9.714 -13.813 436 HB VAL 56 HB VAL 56 -1.934 7.701 -14.893 437 HG11 VAL 56 1HG1 VAL 56 -3.943 8.502 -16.857 438 HG12 VAL 56 2HG1 VAL 56 -3.948 7.161 -15.709 439 HG13 VAL 56 3HG1 VAL 56 -4.437 8.773 -15.186 440 HG21 VAL 56 3HG2 VAL 56 -1.106 7.762 -17.029 441 HG22 VAL 56 1HG2 VAL 56 -2.069 9.169 -17.480 442 HG23 VAL 56 2HG2 VAL 56 -0.638 9.367 -16.469 443 H ARG 57 H ARG 57 -1.638 8.853 -12.297 444 HA ARG 57 HA ARG 57 1.150 9.790 -12.473 445 HB2 ARG 57 2HB ARG 57 1.151 9.970 -10.039 446 HB3 ARG 57 3HB ARG 57 -0.131 10.954 -10.732 447 HG2 ARG 57 2HG ARG 57 -1.758 9.204 -10.178 448 HG3 ARG 57 3HG ARG 57 -0.464 8.249 -9.451 449 HD2 ARG 57 2HD ARG 57 -0.084 10.525 -8.120 450 HD3 ARG 57 3HD ARG 57 -1.803 10.706 -8.470 451 HE ARG 57 HE ARG 57 -1.171 8.136 -7.390 452 HH11 ARG 57 1HH1 ARG 57 -1.793 11.463 -6.574 453 HH12 ARG 57 2HH1 ARG 57 -2.348 11.103 -4.973 454 HH21 ARG 57 1HH2 ARG 57 -1.899 7.649 -5.284 455 HH22 ARG 57 2HH2 ARG 57 -2.406 8.933 -4.240 456 H VAL 58 H VAL 58 2.505 8.482 -10.722 457 HA VAL 58 HA VAL 58 2.935 5.947 -11.700 458 HB VAL 58 HB VAL 58 3.479 6.832 -8.863 459 HG11 VAL 58 1HG1 VAL 58 4.422 4.546 -10.541 460 HG12 VAL 58 2HG1 VAL 58 5.474 5.218 -9.294 461 HG13 VAL 58 3HG1 VAL 58 3.896 4.560 -8.858 462 HG21 VAL 58 3HG2 VAL 58 4.950 7.302 -11.435 463 HG22 VAL 58 1HG2 VAL 58 4.500 8.462 -10.185 464 HG23 VAL 58 2HG2 VAL 58 5.791 7.298 -9.885 465 H GLY 59 H GLY 59 1.702 4.192 -11.701 466 HA2 GLY 59 2HA GLY 59 0.736 2.411 -10.337 467 HA3 GLY 59 3HA GLY 59 0.029 3.662 -9.326 468 H ASP 60 H ASP 60 -0.777 5.301 -11.613 469 HA ASP 60 HA ASP 60 -3.370 4.296 -11.983 470 HB2 ASP 60 2HB ASP 60 -1.785 6.465 -13.332 471 HB3 ASP 60 3HB ASP 60 -3.403 6.050 -13.890 472 H TYR 61 H TYR 61 -4.390 3.821 -14.106 473 HA TYR 61 HA TYR 61 -2.577 2.329 -15.882 474 HB2 TYR 61 2HB TYR 61 -5.352 1.449 -15.064 475 HB3 TYR 61 3HB TYR 61 -4.240 0.572 -16.110 476 HD1 TYR 61 HD2 TYR 61 -4.971 1.558 -12.651 477 HD2 TYR 61 HD1 TYR 61 -2.381 -0.665 -15.191 478 HE1 TYR 61 HE2 TYR 61 -4.044 0.403 -10.687 479 HE2 TYR 61 HE1 TYR 61 -1.448 -1.827 -13.234 480 HH TYR 61 HH TYR 61 -2.364 -2.368 -10.807 481 H LEU 62 H LEU 62 -3.126 2.271 -18.072 482 HA LEU 62 HA LEU 62 -5.500 3.610 -19.021 483 HB2 LEU 62 2HB LEU 62 -4.022 5.141 -20.475 484 HB3 LEU 62 3HB LEU 62 -4.340 5.594 -18.802 485 HG LEU 62 HG LEU 62 -1.854 4.070 -19.392 486 HD11 LEU 62 1HD1 LEU 62 -0.649 5.964 -20.119 487 HD12 LEU 62 2HD1 LEU 62 -2.009 7.043 -19.812 488 HD13 LEU 62 3HD1 LEU 62 -2.086 5.882 -21.138 489 HD21 LEU 62 3HD2 LEU 62 -2.788 6.121 -17.419 490 HD22 LEU 62 1HD2 LEU 62 -1.068 5.810 -17.660 491 HD23 LEU 62 2HD2 LEU 62 -2.134 4.509 -17.127 492 H GLY 63 H GLY 63 -5.932 3.218 -21.213 493 HA2 GLY 63 2HA GLY 63 -5.556 2.310 -23.337 494 HA3 GLY 63 3HA GLY 63 -3.993 1.725 -22.785 495 H ARG 64 H ARG 64 -5.563 0.102 -24.310 496 HA ARG 64 HA ARG 64 -7.179 -1.628 -22.688 497 HB2 ARG 64 2HB ARG 64 -6.397 -1.445 -25.526 498 HB3 ARG 64 3HB ARG 64 -6.682 -3.077 -24.936 499 HG2 ARG 64 2HG ARG 64 -8.900 -2.253 -24.070 500 HG3 ARG 64 3HG ARG 64 -8.602 -0.768 -24.975 501 HD2 ARG 64 2HD ARG 64 -8.686 -1.868 -27.034 502 HD3 ARG 64 3HD ARG 64 -8.440 -3.452 -26.300 503 HE ARG 64 HE ARG 64 -10.928 -2.111 -26.692 504 HH11 ARG 64 1HH1 ARG 64 -9.232 -4.329 -24.612 505 HH12 ARG 64 2HH1 ARG 64 -10.674 -5.112 -24.054 506 HH21 ARG 64 1HH2 ARG 64 -12.833 -3.134 -25.965 507 HH22 ARG 64 2HH2 ARG 64 -12.721 -4.432 -24.825 508 H ASN 65 H ASN 65 -3.854 -1.308 -23.251 509 HA ASN 65 HA ASN 65 -3.271 -4.108 -22.666 510 HB2 ASN 65 2HB ASN 65 -1.365 -1.823 -23.220 511 HB3 ASN 65 3HB ASN 65 -0.946 -3.531 -23.127 512 HD21 ASN 65 1HD2 ASN 65 -2.647 -4.840 -24.590 513 HD22 ASN 65 2HD2 ASN 65 -2.696 -4.273 -26.222 514 H ASP 66 H ASP 66 -4.438 -2.112 -20.725 515 HA ASP 66 HA ASP 66 -4.214 -1.477 -18.546 516 HB2 ASP 66 2HB ASP 66 -3.850 -4.149 -18.681 517 HB3 ASP 66 3HB ASP 66 -2.317 -3.675 -17.954 518 H GLY 67 H GLY 67 -2.554 -0.016 -20.131 519 HA2 GLY 67 2HA GLY 67 0.171 -0.039 -19.519 520 HA3 GLY 67 3HA GLY 67 -0.734 1.378 -20.029 521 H LYS 68 H LYS 68 0.665 -0.323 -17.373 522 HA LYS 68 HA LYS 68 -0.433 1.521 -15.404 523 HB2 LYS 68 2HB LYS 68 -0.247 -0.849 -14.813 524 HB3 LYS 68 3HB LYS 68 1.488 -0.795 -15.095 525 HG2 LYS 68 2HG LYS 68 1.504 1.039 -13.287 526 HG3 LYS 68 3HG LYS 68 -0.098 0.427 -12.872 527 HD2 LYS 68 2HD LYS 68 1.456 -0.698 -11.469 528 HD3 LYS 68 3HD LYS 68 0.939 -1.860 -12.694 529 HE2 LYS 68 2HE LYS 68 2.972 -1.499 -13.948 530 HE3 LYS 68 3HE LYS 68 3.471 -0.225 -12.836 531 HZ1 LYS 68 3HZ LYS 68 3.493 -3.127 -12.470 532 HZ2 LYS 68 1HZ LYS 68 3.199 -2.166 -11.109 533 HZ3 LYS 68 2HZ LYS 68 4.629 -1.970 -11.989 534 H VAL 69 H VAL 69 0.541 3.349 -14.851 535 HA VAL 69 HA VAL 69 3.021 4.148 -15.967 536 HB VAL 69 HB VAL 69 1.464 5.392 -13.696 537 HG11 VAL 69 1HG1 VAL 69 2.987 7.278 -15.177 538 HG12 VAL 69 2HG1 VAL 69 3.129 6.842 -13.472 539 HG13 VAL 69 3HG1 VAL 69 4.059 5.966 -14.688 540 HG21 VAL 69 3HG2 VAL 69 1.095 7.014 -15.827 541 HG22 VAL 69 1HG2 VAL 69 1.179 5.443 -16.624 542 HG23 VAL 69 2HG2 VAL 69 -0.019 5.728 -15.361 543 H VAL 70 H VAL 70 5.019 3.763 -15.291 544 HA VAL 70 HA VAL 70 5.424 2.970 -12.479 545 HB VAL 70 HB VAL 70 7.184 1.492 -13.128 546 HG11 VAL 70 1HG1 VAL 70 5.682 -0.082 -13.565 547 HG12 VAL 70 2HG1 VAL 70 4.512 1.166 -13.996 548 HG13 VAL 70 3HG1 VAL 70 5.559 0.472 -15.235 549 HG21 VAL 70 3HG2 VAL 70 8.192 2.786 -14.900 550 HG22 VAL 70 1HG2 VAL 70 7.813 1.171 -15.500 551 HG23 VAL 70 2HG2 VAL 70 6.782 2.536 -15.931 552 H GLY 71 H GLY 71 6.529 4.879 -15.179 553 HA2 GLY 71 2HA GLY 71 8.307 6.331 -13.343 554 HA3 GLY 71 3HA GLY 71 8.951 5.761 -14.876 555 H ILE 72 H ILE 72 8.468 8.502 -13.693 556 HA ILE 72 HA ILE 72 7.092 9.601 -16.047 557 HB ILE 72 HB ILE 72 6.753 10.574 -13.208 558 HG12 ILE 72 2HG1 ILE 72 4.649 9.542 -15.113 559 HG13 ILE 72 3HG1 ILE 72 5.465 8.513 -13.941 560 HG21 ILE 72 1HG2 ILE 72 6.569 12.563 -14.258 561 HG22 ILE 72 2HG2 ILE 72 6.237 11.826 -15.825 562 HG23 ILE 72 3HG2 ILE 72 4.949 11.972 -14.629 563 HD11 ILE 72 3HD1 ILE 72 4.157 9.209 -12.293 564 HD12 ILE 72 1HD1 ILE 72 4.391 10.904 -12.719 565 HD13 ILE 72 2HD1 ILE 72 3.152 9.953 -13.537 566 H SER 73 H SER 73 8.658 10.577 -17.156 567 HA SER 73 HA SER 73 10.770 12.006 -15.714 568 HB2 SER 73 2HB SER 73 11.313 10.311 -17.529 569 HB3 SER 73 3HB SER 73 10.647 11.466 -18.684 570 HG SER 73 HG SER 73 12.661 12.136 -18.659 571 H GLU 74 H GLU 74 11.549 13.830 -17.618 572 HA GLU 74 HA GLU 74 9.380 15.778 -17.424 573 HB2 GLU 74 2HB GLU 74 11.060 17.464 -17.805 574 HB3 GLU 74 3HB GLU 74 11.641 16.357 -16.570 575 HG2 GLU 74 2HG GLU 74 13.007 15.213 -18.251 576 HG3 GLU 74 3HG GLU 74 12.444 16.354 -19.471 577 H GLY 75 H GLY 75 10.881 13.755 -19.713 578 HA2 GLY 75 2HA GLY 75 9.430 15.143 -21.867 579 HA3 GLY 75 3HA GLY 75 11.109 14.683 -22.105 580 H LYS 76 H LYS 76 9.349 12.509 -20.177 581 HA LYS 76 HA LYS 76 8.161 10.927 -22.209 582 HB2 LYS 76 2HB LYS 76 9.734 8.998 -22.068 583 HB3 LYS 76 3HB LYS 76 10.420 10.411 -22.859 584 HG2 LYS 76 2HG LYS 76 11.342 10.949 -20.483 585 HG3 LYS 76 3HG LYS 76 11.064 9.229 -20.199 586 HD2 LYS 76 2HD LYS 76 13.239 9.219 -20.962 587 HD3 LYS 76 3HD LYS 76 12.346 8.948 -22.461 588 HE2 LYS 76 2HE LYS 76 12.756 11.771 -21.791 589 HE3 LYS 76 3HE LYS 76 14.246 10.874 -22.082 590 HZ1 LYS 76 3HZ LYS 76 13.848 11.163 -24.231 591 HZ2 LYS 76 1HZ LYS 76 12.294 11.770 -23.947 592 HZ3 LYS 76 2HZ LYS 76 12.538 10.102 -24.087 593 H ILE 77 H ILE 77 7.150 9.026 -21.380 594 HA ILE 77 HA ILE 77 7.146 8.835 -18.441 595 HB ILE 77 HB ILE 77 4.731 8.658 -20.247 596 HG12 ILE 77 2HG1 ILE 77 5.089 10.637 -18.024 597 HG13 ILE 77 3HG1 ILE 77 5.828 10.949 -19.591 598 HG21 ILE 77 1HG2 ILE 77 5.226 7.569 -17.652 599 HG22 ILE 77 2HG2 ILE 77 3.996 8.827 -17.534 600 HG23 ILE 77 3HG2 ILE 77 3.767 7.472 -18.639 601 HD11 ILE 77 3HD1 ILE 77 3.738 11.026 -20.668 602 HD12 ILE 77 1HD1 ILE 77 2.908 10.337 -19.273 603 HD13 ILE 77 2HD1 ILE 77 3.563 11.973 -19.191 604 H ASP 78 H ASP 78 7.805 6.899 -17.816 605 HA ASP 78 HA ASP 78 7.730 4.651 -19.648 606 HB2 ASP 78 2HB ASP 78 8.852 4.930 -16.852 607 HB3 ASP 78 3HB ASP 78 8.984 3.476 -17.838 608 H VAL 79 H VAL 79 6.197 3.152 -19.680 609 HA VAL 79 HA VAL 79 4.675 2.583 -17.243 610 HB VAL 79 HB VAL 79 2.546 2.699 -18.327 611 HG11 VAL 79 1HG1 VAL 79 3.720 5.238 -19.320 612 HG12 VAL 79 2HG1 VAL 79 2.296 4.964 -18.314 613 HG13 VAL 79 3HG1 VAL 79 3.909 4.858 -17.608 614 HG21 VAL 79 3HG2 VAL 79 4.170 3.102 -20.810 615 HG22 VAL 79 1HG2 VAL 79 2.861 1.960 -20.505 616 HG23 VAL 79 2HG2 VAL 79 2.504 3.673 -20.724 617 H ILE 80 H ILE 80 3.628 0.529 -17.243 618 HA ILE 80 HA ILE 80 4.976 -1.403 -18.971 619 HB ILE 80 HB ILE 80 3.574 -1.588 -16.339 620 HG12 ILE 80 2HG1 ILE 80 6.070 -1.266 -16.616 621 HG13 ILE 80 3HG1 ILE 80 5.592 -2.648 -15.637 622 HG21 ILE 80 1HG2 ILE 80 3.902 -3.822 -18.319 623 HG22 ILE 80 2HG2 ILE 80 3.774 -4.112 -16.585 624 HG23 ILE 80 3HG2 ILE 80 2.450 -3.329 -17.448 625 HD11 ILE 80 3HD1 ILE 80 6.380 -2.793 -18.536 626 HD12 ILE 80 1HD1 ILE 80 7.450 -3.132 -17.176 627 HD13 ILE 80 2HD1 ILE 80 6.037 -4.148 -17.461 628 H GLU 81 H GLU 81 3.990 -2.056 -20.755 629 HA GLU 81 HA GLU 81 1.045 -2.143 -20.789 630 HB2 GLU 81 2HB GLU 81 2.916 -1.864 -23.147 631 HB3 GLU 81 3HB GLU 81 1.160 -1.822 -23.199 632 HG2 GLU 81 2HG GLU 81 1.330 0.381 -23.058 633 HG3 GLU 81 3HG GLU 81 1.795 0.144 -21.374 634 H ILE 82 H ILE 82 0.037 -4.011 -21.274 635 HA ILE 82 HA ILE 82 1.670 -6.402 -21.474 636 HB ILE 82 HB ILE 82 -1.291 -5.981 -21.117 637 HG12 ILE 82 2HG1 ILE 82 -0.702 -7.323 -18.989 638 HG13 ILE 82 3HG1 ILE 82 0.971 -6.933 -19.374 639 HG21 ILE 82 1HG2 ILE 82 -1.283 -7.919 -22.396 640 HG22 ILE 82 2HG2 ILE 82 0.235 -8.487 -21.704 641 HG23 ILE 82 3HG2 ILE 82 -1.244 -8.535 -20.745 642 HD11 ILE 82 3HD1 ILE 82 0.602 -4.629 -19.087 643 HD12 ILE 82 1HD1 ILE 82 -1.150 -4.831 -19.088 644 HD13 ILE 82 2HD1 ILE 82 -0.195 -5.421 -17.728 645 H VAL 83 H VAL 83 1.958 -7.604 -23.253 646 HA VAL 83 HA VAL 83 0.225 -7.153 -25.577 647 HB VAL 83 HB VAL 83 2.329 -7.318 -27.020 648 HG11 VAL 83 1HG1 VAL 83 2.216 -5.088 -27.303 649 HG12 VAL 83 2HG1 VAL 83 0.903 -5.195 -26.129 650 HG13 VAL 83 3HG1 VAL 83 2.527 -4.752 -25.600 651 HG21 VAL 83 3HG2 VAL 83 4.362 -7.338 -26.099 652 HG22 VAL 83 1HG2 VAL 83 3.958 -6.024 -24.995 653 HG23 VAL 83 2HG2 VAL 83 3.558 -7.688 -24.570 654 HA PRO 84 HA PRO 84 0.292 -11.518 -26.041 655 HB2 PRO 84 2HB PRO 84 0.095 -11.775 -28.736 656 HB3 PRO 84 3HB PRO 84 -1.252 -11.248 -27.720 657 HG2 PRO 84 2HG PRO 84 0.634 -9.607 -29.368 658 HG3 PRO 84 3HG PRO 84 -1.124 -9.450 -29.190 659 HD2 PRO 84 2HD PRO 84 0.624 -7.862 -27.863 660 HD3 PRO 84 3HD PRO 84 -0.946 -8.334 -27.181 661 H ASP 85 H ASP 85 1.687 -13.201 -26.362 662 HA ASP 85 HA ASP 85 4.410 -12.530 -27.042 663 HB2 ASP 85 2HB ASP 85 3.937 -14.022 -25.151 664 HB3 ASP 85 3HB ASP 85 3.179 -15.176 -26.245 665 H GLY 86 H GLY 86 1.687 -13.934 -28.614 666 HA2 GLY 86 2HA GLY 86 1.812 -13.940 -31.072 667 HA3 GLY 86 3HA GLY 86 3.417 -14.635 -30.905 668 H GLU 87 H GLU 87 2.041 -16.207 -28.559 669 HA GLU 87 HA GLU 87 1.019 -18.344 -30.310 670 HB2 GLU 87 2HB GLU 87 1.633 -19.825 -28.298 671 HB3 GLU 87 3HB GLU 87 2.942 -19.202 -29.292 672 HG2 GLU 87 2HG GLU 87 3.290 -17.398 -27.648 673 HG3 GLU 87 3HG GLU 87 2.040 -18.117 -26.635 674 H GLY 88 H GLY 88 0.479 -16.531 -27.350 675 HA2 GLY 88 2HA GLY 88 -2.210 -16.423 -27.338 676 HA3 GLY 88 3HA GLY 88 -1.912 -18.026 -26.683 677 H ASN 89 H ASN 89 0.659 -16.901 -25.486 678 HA ASN 89 HA ASN 89 -0.596 -15.986 -23.020 679 HB2 ASN 89 2HB ASN 89 1.447 -16.538 -21.928 680 HB3 ASN 89 3HB ASN 89 1.135 -17.837 -23.076 681 HD21 ASN 89 1HD2 ASN 89 2.576 -18.244 -24.651 682 HD22 ASN 89 2HD2 ASN 89 4.040 -17.357 -24.888 683 H TRP 90 H TRP 90 -0.212 -14.032 -22.055 684 HA TRP 90 HA TRP 90 0.954 -11.980 -23.781 685 HB2 TRP 90 2HB TRP 90 -0.625 -11.635 -21.224 686 HB3 TRP 90 3HB TRP 90 -0.195 -10.372 -22.374 687 HD1 TRP 90 HD1 TRP 90 -2.370 -13.575 -22.225 688 HE1 TRP 90 HE1 TRP 90 -4.353 -13.263 -23.836 689 HE3 TRP 90 HE3 TRP 90 -1.073 -9.060 -24.244 690 HZ2 TRP 90 HZ2 TRP 90 -5.249 -11.356 -25.714 691 HZ3 TRP 90 HZ3 TRP 90 -2.547 -8.061 -25.942 692 HH2 TRP 90 HH2 TRP 90 -4.591 -9.187 -26.661 693 H LEU 91 H LEU 91 2.190 -10.208 -22.667 694 HA LEU 91 HA LEU 91 3.646 -10.989 -20.285 695 HB2 LEU 91 2HB LEU 91 4.965 -10.682 -22.973 696 HB3 LEU 91 3HB LEU 91 5.847 -10.581 -21.450 697 HG LEU 91 HG LEU 91 4.310 -13.002 -22.387 698 HD11 LEU 91 1HD1 LEU 91 7.289 -12.550 -22.364 699 HD12 LEU 91 2HD1 LEU 91 6.273 -12.474 -23.803 700 HD13 LEU 91 3HD1 LEU 91 6.434 -13.990 -22.917 701 HD21 LEU 91 3HD2 LEU 91 5.859 -14.023 -20.576 702 HD22 LEU 91 1HD2 LEU 91 4.394 -13.176 -20.081 703 HD23 LEU 91 2HD2 LEU 91 5.959 -12.369 -19.972 704 H GLU 92 H GLU 92 5.032 -9.261 -19.470 705 HA GLU 92 HA GLU 92 3.788 -6.700 -19.819 706 HB2 GLU 92 2HB GLU 92 5.463 -5.950 -18.127 707 HB3 GLU 92 3HB GLU 92 4.490 -7.319 -17.609 708 HG2 GLU 92 2HG GLU 92 6.300 -8.838 -18.051 709 HG3 GLU 92 3HG GLU 92 7.272 -7.536 -18.735 710 H ARG 93 H ARG 93 4.686 -4.816 -20.638 711 HA ARG 93 HA ARG 93 7.276 -5.012 -21.990 712 HB2 ARG 93 2HB ARG 93 5.141 -5.458 -23.489 713 HB3 ARG 93 3HB ARG 93 5.036 -3.703 -23.466 714 HG2 ARG 93 2HG ARG 93 6.226 -4.404 -25.427 715 HG3 ARG 93 3HG ARG 93 7.344 -3.587 -24.332 716 HD2 ARG 93 2HD ARG 93 8.320 -5.629 -23.652 717 HD3 ARG 93 3HD ARG 93 7.023 -6.575 -24.382 718 HE ARG 93 HE ARG 93 8.444 -5.008 -26.303 719 HH11 ARG 93 1HH1 ARG 93 8.516 -7.968 -24.471 720 HH12 ARG 93 2HH1 ARG 93 9.517 -8.803 -25.612 721 HH21 ARG 93 1HH2 ARG 93 9.763 -6.097 -27.813 722 HH22 ARG 93 2HH2 ARG 93 10.227 -7.737 -27.512 723 HA PRO 94 HA PRO 94 7.051 -1.087 -19.671 724 HB2 PRO 94 2HB PRO 94 9.726 -0.961 -19.228 725 HB3 PRO 94 3HB PRO 94 8.629 -1.909 -18.218 726 HG2 PRO 94 2HG PRO 94 10.405 -2.814 -20.451 727 HG3 PRO 94 3HG PRO 94 10.114 -3.573 -18.875 728 HD2 PRO 94 2HD PRO 94 8.913 -4.426 -21.147 729 HD3 PRO 94 3HD PRO 94 8.127 -4.522 -19.558 730 H ARG 95 H ARG 95 6.520 0.249 -21.391 731 HA ARG 95 HA ARG 95 8.745 1.060 -23.144 732 HB2 ARG 95 2HB ARG 95 5.764 1.198 -23.625 733 HB3 ARG 95 3HB ARG 95 6.982 1.854 -24.710 734 HG2 ARG 95 2HG ARG 95 7.926 -0.554 -24.716 735 HG3 ARG 95 3HG ARG 95 6.331 -0.997 -24.104 736 HD2 ARG 95 2HD ARG 95 6.885 0.524 -26.650 737 HD3 ARG 95 3HD ARG 95 6.459 -1.184 -26.546 738 HE ARG 95 HE ARG 95 4.679 1.054 -26.360 739 HH11 ARG 95 1HH1 ARG 95 5.184 -2.262 -25.428 740 HH12 ARG 95 2HH1 ARG 95 3.496 -2.600 -25.232 741 HH21 ARG 95 1HH2 ARG 95 2.454 0.621 -26.106 742 HH22 ARG 95 2HH2 ARG 95 1.944 -0.960 -25.619 743 H SER 96 H SER 96 8.924 3.308 -23.680 744 HA SER 96 HA SER 96 7.791 5.072 -21.607 745 HB2 SER 96 2HB SER 96 10.107 6.247 -22.799 746 HB3 SER 96 3HB SER 96 9.876 5.732 -21.128 747 HG SER 96 HG SER 96 10.661 3.723 -21.649 748 H LEU 97 H LEU 97 6.445 6.580 -22.313 749 HA LEU 97 HA LEU 97 6.293 7.139 -25.170 750 HB2 LEU 97 2HB LEU 97 4.480 8.321 -23.106 751 HB3 LEU 97 3HB LEU 97 4.149 7.954 -24.798 752 HG LEU 97 HG LEU 97 4.345 5.997 -22.513 753 HD11 LEU 97 1HD1 LEU 97 2.234 7.528 -23.265 754 HD12 LEU 97 2HD1 LEU 97 2.104 5.950 -22.489 755 HD13 LEU 97 3HD1 LEU 97 1.980 6.082 -24.243 756 HD21 LEU 97 3HD2 LEU 97 5.255 4.760 -24.234 757 HD22 LEU 97 1HD2 LEU 97 4.324 5.601 -25.474 758 HD23 LEU 97 2HD2 LEU 97 3.533 4.423 -24.425 759 H THR 98 H THR 98 7.728 8.625 -25.817 760 HA THR 98 HA THR 98 8.578 10.800 -24.158 761 HB THR 98 HB THR 98 9.938 11.505 -26.005 762 HG1 THR 98 HG1 THR 98 8.350 9.719 -27.560 763 HG21 THR 98 3HG2 THR 98 10.122 8.603 -26.504 764 HG22 THR 98 1HG2 THR 98 10.201 9.093 -24.813 765 HG23 THR 98 2HG2 THR 98 11.359 9.743 -25.974 766 H LEU 99 H LEU 99 8.251 13.033 -24.537 767 HA LEU 99 HA LEU 99 5.650 13.850 -24.944 768 HB2 LEU 99 2HB LEU 99 7.735 15.092 -23.993 769 HB3 LEU 99 3HB LEU 99 7.914 15.668 -25.649 770 HG LEU 99 HG LEU 99 5.458 16.454 -25.383 771 HD11 LEU 99 1HD1 LEU 99 5.634 17.134 -22.682 772 HD12 LEU 99 2HD1 LEU 99 6.021 15.416 -22.758 773 HD13 LEU 99 3HD1 LEU 99 4.502 16.007 -23.431 774 HD21 LEU 99 3HD2 LEU 99 6.343 18.527 -24.127 775 HD22 LEU 99 1HD2 LEU 99 7.064 18.106 -25.680 776 HD23 LEU 99 2HD2 LEU 99 7.902 17.703 -24.181 777 H LYS 100 H LYS 100 4.393 14.032 -26.670 778 HA LYS 100 HA LYS 100 3.679 14.129 -28.828 779 HB2 LYS 100 2HB LYS 100 6.296 15.580 -29.266 780 HB3 LYS 100 3HB LYS 100 4.925 15.580 -30.368 781 HG2 LYS 100 2HG LYS 100 3.584 16.798 -28.822 782 HG3 LYS 100 3HG LYS 100 4.791 16.616 -27.547 783 HD2 LYS 100 2HD LYS 100 4.942 18.840 -28.455 784 HD3 LYS 100 3HD LYS 100 6.378 17.931 -28.931 785 HE2 LYS 100 2HE LYS 100 5.596 19.181 -30.825 786 HE3 LYS 100 3HE LYS 100 5.291 17.469 -31.116 787 HZ1 LYS 100 3HZ LYS 100 3.047 17.738 -30.920 788 HZ2 LYS 100 1HZ LYS 100 3.456 19.247 -31.567 789 HZ3 LYS 100 2HZ LYS 100 3.166 19.089 -29.908 790 H GLU 101 H GLU 101 4.718 11.719 -28.190 791 HA GLU 101 HA GLU 101 6.772 10.858 -29.973 792 HB2 GLU 101 2HB GLU 101 6.366 9.681 -27.880 793 HB3 GLU 101 3HB GLU 101 4.733 9.280 -28.394 794 HG2 GLU 101 2HG GLU 101 5.552 7.837 -30.110 795 HG3 GLU 101 3HG GLU 101 7.211 8.359 -29.826 796 H ARG 102 H ARG 102 6.570 9.483 -31.788 797 HA ARG 102 HA ARG 102 3.951 9.659 -33.129 798 HB2 ARG 102 2HB ARG 102 5.061 9.878 -35.230 799 HB3 ARG 102 3HB ARG 102 5.800 11.036 -34.133 800 HG2 ARG 102 2HG ARG 102 7.690 9.546 -33.800 801 HG3 ARG 102 3HG ARG 102 6.940 8.343 -34.852 802 HD2 ARG 102 2HD ARG 102 8.455 9.421 -36.252 803 HD3 ARG 102 3HD ARG 102 6.922 10.210 -36.620 804 HE ARG 102 HE ARG 102 8.363 11.586 -34.583 805 HH11 ARG 102 1HH1 ARG 102 8.167 11.094 -38.023 806 HH12 ARG 102 2HH1 ARG 102 8.870 12.628 -38.415 807 HH21 ARG 102 1HH2 ARG 102 9.290 13.609 -35.085 808 HH22 ARG 102 2HH2 ARG 102 9.509 14.058 -36.742 809 H SER 103 H SER 103 3.195 7.874 -34.251 810 HA SER 103 HA SER 103 4.780 5.463 -34.417 811 HB2 SER 103 2HB SER 103 2.818 4.207 -33.210 812 HB3 SER 103 3HB SER 103 4.091 4.965 -32.254 813 HG SER 103 HG SER 103 2.548 6.052 -31.353 814 H LEU 104 H LEU 104 3.349 3.621 -35.312 815 HA LEU 104 HA LEU 104 2.004 4.673 -37.635 816 HB2 LEU 104 2HB LEU 104 1.882 2.368 -38.369 817 HB3 LEU 104 3HB LEU 104 3.509 2.763 -37.820 818 HG LEU 104 HG LEU 104 2.615 1.685 -35.569 819 HD11 LEU 104 1HD1 LEU 104 1.293 -0.415 -36.548 820 HD12 LEU 104 2HD1 LEU 104 0.701 0.824 -37.654 821 HD13 LEU 104 3HD1 LEU 104 0.479 1.016 -35.915 822 HD21 LEU 104 3HD2 LEU 104 3.370 -0.115 -37.854 823 HD22 LEU 104 1HD2 LEU 104 3.772 -0.277 -36.144 824 HD23 LEU 104 2HD2 LEU 104 4.521 0.996 -37.109 825 H GLU 105 H GLU 105 -0.069 3.457 -38.335 826 HA GLU 105 HA GLU 105 -1.946 3.573 -36.074 827 HB2 GLU 105 2HB GLU 105 -2.442 3.948 -39.032 828 HB3 GLU 105 3HB GLU 105 -3.685 3.998 -37.790 829 HG2 GLU 105 2HG GLU 105 -3.038 6.041 -37.021 830 HG3 GLU 105 3HG GLU 105 -1.358 5.815 -37.504 831 H HIS 106 H HIS 106 -3.686 2.053 -35.987 832 HA HIS 106 HA HIS 106 -3.797 -0.209 -37.715 833 HB2 HIS 106 2HB HIS 106 -1.789 -0.870 -36.519 834 HB3 HIS 106 3HB HIS 106 -2.583 -0.596 -34.971 835 HD1 HIS 106 HD1 HIS 106 -4.111 -2.435 -34.087 836 HD2 HIS 106 HD2 HIS 106 -2.598 -3.223 -37.875 837 HE1 HIS 106 HE1 HIS 106 -4.669 -4.844 -34.546 838 H HIS 107 H HIS 107 -5.945 -0.314 -37.819 839 HA HIS 107 HA HIS 107 -7.644 0.347 -35.613 840 HB2 HIS 107 2HB HIS 107 -8.174 -0.789 -38.356 841 HB3 HIS 107 3HB HIS 107 -9.459 -0.515 -37.183 842 HD1 HIS 107 HD1 HIS 107 -6.591 1.872 -37.700 843 HD2 HIS 107 HD2 HIS 107 -10.653 1.582 -38.521 844 HE1 HIS 107 HE1 HIS 107 -7.273 4.146 -38.530 845 H HIS 108 H HIS 108 -9.365 -1.145 -34.839 846 HA HIS 108 HA HIS 108 -8.583 -3.966 -34.841 847 HB2 HIS 108 2HB HIS 108 -8.821 -4.107 -32.398 848 HB3 HIS 108 3HB HIS 108 -7.526 -3.004 -32.853 849 HD1 HIS 108 HD1 HIS 108 -8.264 -0.372 -32.799 850 HD2 HIS 108 HD2 HIS 108 -10.625 -3.048 -30.671 851 HE1 HIS 108 HE1 HIS 108 -9.579 1.033 -31.179 852 H HIS 109 H HIS 109 -10.279 -5.398 -34.057 853 HA HIS 109 HA HIS 109 -12.964 -4.197 -34.216 854 HB2 HIS 109 2HB HIS 109 -13.601 -6.467 -35.294 855 HB3 HIS 109 3HB HIS 109 -12.801 -5.256 -36.291 856 HD1 HIS 109 HD1 HIS 109 -12.413 -8.672 -34.954 857 HD2 HIS 109 HD2 HIS 109 -10.062 -5.841 -36.882 858 HE1 HIS 109 HE1 HIS 109 -10.383 -9.919 -35.758 859 H HIS 110 H HIS 110 -11.224 -7.169 -33.297 860 HA HIS 110 HA HIS 110 -12.143 -7.176 -30.646 861 HB2 HIS 110 2HB HIS 110 -13.723 -9.087 -30.751 862 HB3 HIS 110 3HB HIS 110 -14.333 -7.655 -31.576 863 HD1 HIS 110 HD1 HIS 110 -12.370 -10.765 -32.586 864 HD2 HIS 110 HD2 HIS 110 -15.405 -8.286 -33.965 865 HE1 HIS 110 HE1 HIS 110 -13.113 -11.764 -34.771 866 H HIS 111 H HIS 111 -11.351 -8.955 -29.435 867 HA HIS 111 HA HIS 111 -9.293 -10.490 -30.867 868 HB2 HIS 111 2HB HIS 111 -8.594 -8.946 -28.996 869 HB3 HIS 111 3HB HIS 111 -9.468 -10.002 -27.890 870 HD1 HIS 111 HD1 HIS 111 -6.590 -10.179 -30.360 871 HD2 HIS 111 HD2 HIS 111 -8.005 -12.093 -26.954 872 HE1 HIS 111 HE1 HIS 111 -4.806 -11.835 -29.729 Start of MODEL 10 1 H1 ASP 1 H ASP 1 10.791 -34.442 -2.065 2 HA ASP 1 HA ASP 1 11.069 -31.512 -2.235 3 HB2 ASP 1 2HB ASP 1 10.453 -33.553 -4.367 4 HB3 ASP 1 3HB ASP 1 10.115 -31.839 -4.586 5 H LEU 2 H LEU 2 9.080 -30.365 -2.916 6 HA LEU 2 HA LEU 2 6.661 -31.703 -1.897 7 HB2 LEU 2 2HB LEU 2 7.763 -28.984 -1.354 8 HB3 LEU 2 3HB LEU 2 6.018 -29.224 -1.337 9 HG LEU 2 HG LEU 2 7.845 -30.908 0.349 10 HD11 LEU 2 1HD1 LEU 2 7.200 -29.294 2.201 11 HD12 LEU 2 2HD1 LEU 2 6.775 -28.160 0.919 12 HD13 LEU 2 3HD1 LEU 2 8.431 -28.748 1.062 13 HD21 LEU 2 3HD2 LEU 2 5.661 -31.796 0.202 14 HD22 LEU 2 1HD2 LEU 2 4.920 -30.205 0.382 15 HD23 LEU 2 2HD2 LEU 2 5.739 -30.956 1.752 16 H THR 3 H THR 3 6.594 -32.202 -4.300 17 HA THR 3 HA THR 3 5.927 -30.065 -6.091 18 HB THR 3 HB THR 3 5.325 -31.891 -7.679 19 HG1 THR 3 HG1 THR 3 4.649 -33.547 -6.396 20 HG21 THR 3 3HG2 THR 3 7.508 -31.440 -8.064 21 HG22 THR 3 1HG2 THR 3 7.752 -33.032 -7.346 22 HG23 THR 3 2HG2 THR 3 7.946 -31.581 -6.362 23 H VAL 4 H VAL 4 3.969 -29.298 -6.660 24 HA VAL 4 HA VAL 4 1.575 -30.701 -5.693 25 HB VAL 4 HB VAL 4 0.554 -28.557 -5.045 26 HG11 VAL 4 1HG1 VAL 4 2.403 -28.113 -3.143 27 HG12 VAL 4 2HG1 VAL 4 1.286 -29.478 -3.117 28 HG13 VAL 4 3HG1 VAL 4 2.930 -29.694 -3.718 29 HG21 VAL 4 3HG2 VAL 4 1.765 -26.523 -4.956 30 HG22 VAL 4 1HG2 VAL 4 3.288 -27.332 -5.327 31 HG23 VAL 4 2HG2 VAL 4 2.039 -27.190 -6.565 32 H ARG 5 H ARG 5 -0.440 -29.855 -6.731 33 HA ARG 5 HA ARG 5 0.105 -28.969 -9.488 34 HB2 ARG 5 2HB ARG 5 -1.783 -30.336 -10.227 35 HB3 ARG 5 3HB ARG 5 -0.570 -31.324 -9.424 36 HG2 ARG 5 2HG ARG 5 -1.911 -31.391 -7.410 37 HG3 ARG 5 3HG ARG 5 -3.106 -30.322 -8.148 38 HD2 ARG 5 2HD ARG 5 -2.376 -32.874 -9.511 39 HD3 ARG 5 3HD ARG 5 -3.470 -32.914 -8.129 40 HE ARG 5 HE ARG 5 -4.267 -30.970 -10.052 41 HH11 ARG 5 1HH1 ARG 5 -4.299 -34.379 -9.347 42 HH12 ARG 5 2HH1 ARG 5 -5.721 -34.693 -10.285 43 HH21 ARG 5 1HH2 ARG 5 -6.140 -31.370 -11.291 44 HH22 ARG 5 2HH2 ARG 5 -6.767 -32.981 -11.392 45 H GLN 6 H GLN 6 -0.601 -27.425 -7.050 46 HA GLN 6 HA GLN 6 -3.004 -26.124 -8.133 47 HB2 GLN 6 2HB GLN 6 -2.411 -26.675 -5.221 48 HB3 GLN 6 3HB GLN 6 -3.698 -25.618 -5.787 49 HG2 GLN 6 2HG GLN 6 -4.661 -27.559 -7.012 50 HG3 GLN 6 3HG GLN 6 -3.446 -28.579 -6.242 51 HE21 GLN 6 1HE2 GLN 6 -3.351 -28.065 -3.748 52 HE22 GLN 6 2HE2 GLN 6 -4.887 -28.133 -2.960 53 H LYS 7 H LYS 7 -2.703 -24.042 -8.555 54 HA LYS 7 HA LYS 7 -0.304 -22.729 -7.517 55 HB2 LYS 7 2HB LYS 7 -2.207 -21.856 -9.699 56 HB3 LYS 7 3HB LYS 7 -0.702 -21.056 -9.268 57 HG2 LYS 7 2HG LYS 7 -0.816 -23.909 -10.200 58 HG3 LYS 7 3HG LYS 7 -0.635 -22.541 -11.302 59 HD2 LYS 7 2HD LYS 7 1.205 -22.770 -8.966 60 HD3 LYS 7 3HD LYS 7 1.468 -23.811 -10.366 61 HE2 LYS 7 2HE LYS 7 1.141 -20.832 -10.605 62 HE3 LYS 7 3HE LYS 7 2.709 -21.591 -10.331 63 HZ1 LYS 7 3HZ LYS 7 1.590 -22.975 -12.423 64 HZ2 LYS 7 1HZ LYS 7 2.832 -21.830 -12.518 65 HZ3 LYS 7 2HZ LYS 7 1.225 -21.355 -12.745 66 H GLY 8 H GLY 8 -0.523 -21.580 -5.716 67 HA2 GLY 8 2HA GLY 8 -2.790 -19.741 -5.490 68 HA3 GLY 8 3HA GLY 8 -2.555 -20.905 -4.194 69 H ASN 9 H ASN 9 0.166 -20.926 -3.905 70 HA ASN 9 HA ASN 9 0.649 -18.747 -2.260 71 HB2 ASN 9 2HB ASN 9 1.903 -20.897 -2.201 72 HB3 ASN 9 3HB ASN 9 2.738 -20.418 -3.675 73 HD21 ASN 9 1HD2 ASN 9 2.883 -20.457 -0.371 74 HD22 ASN 9 2HD2 ASN 9 4.103 -19.257 -0.133 75 H LYS 10 H LYS 10 2.421 -19.335 -5.297 76 HA LYS 10 HA LYS 10 3.084 -16.537 -5.511 77 HB2 LYS 10 2HB LYS 10 3.802 -19.031 -6.969 78 HB3 LYS 10 3HB LYS 10 3.964 -17.509 -7.836 79 HG2 LYS 10 2HG LYS 10 5.210 -18.012 -5.147 80 HG3 LYS 10 3HG LYS 10 6.031 -18.328 -6.677 81 HD2 LYS 10 2HD LYS 10 6.119 -16.072 -7.237 82 HD3 LYS 10 3HD LYS 10 4.815 -15.646 -6.127 83 HE2 LYS 10 2HE LYS 10 7.556 -16.588 -5.290 84 HE3 LYS 10 3HE LYS 10 7.050 -14.900 -5.357 85 HZ1 LYS 10 3HZ LYS 10 5.113 -15.980 -3.861 86 HZ2 LYS 10 1HZ LYS 10 6.504 -15.256 -3.228 87 HZ3 LYS 10 2HZ LYS 10 6.429 -16.936 -3.399 88 H VAL 11 H VAL 11 2.651 -15.264 -7.443 89 HA VAL 11 HA VAL 11 0.248 -16.063 -8.925 90 HB VAL 11 HB VAL 11 -0.631 -13.728 -8.706 91 HG11 VAL 11 1HG1 VAL 11 -1.204 -15.830 -7.240 92 HG12 VAL 11 2HG1 VAL 11 -0.472 -14.865 -5.957 93 HG13 VAL 11 3HG1 VAL 11 -1.865 -14.245 -6.843 94 HG21 VAL 11 3HG2 VAL 11 0.573 -12.143 -7.721 95 HG22 VAL 11 1HG2 VAL 11 0.614 -13.074 -6.224 96 HG23 VAL 11 2HG2 VAL 11 1.864 -13.312 -7.446 97 H ILE 12 H ILE 12 0.636 -15.908 -11.025 98 HA ILE 12 HA ILE 12 2.632 -13.949 -11.950 99 HB ILE 12 HB ILE 12 2.769 -15.420 -14.002 100 HG12 ILE 12 2HG1 ILE 12 1.387 -17.417 -12.199 101 HG13 ILE 12 3HG1 ILE 12 0.621 -16.616 -13.566 102 HG21 ILE 12 1HG2 ILE 12 4.174 -15.463 -11.703 103 HG22 ILE 12 2HG2 ILE 12 3.628 -17.137 -11.769 104 HG23 ILE 12 3HG2 ILE 12 4.558 -16.460 -13.106 105 HD11 ILE 12 3HD1 ILE 12 2.639 -18.781 -13.517 106 HD12 ILE 12 1HD1 ILE 12 1.228 -18.565 -14.552 107 HD13 ILE 12 2HD1 ILE 12 2.693 -17.629 -14.851 108 H LYS 13 H LYS 13 2.254 -13.327 -14.329 109 HA LYS 13 HA LYS 13 1.003 -12.197 -15.856 110 HB2 LYS 13 2HB LYS 13 -0.971 -14.266 -14.925 111 HB3 LYS 13 3HB LYS 13 -1.422 -13.051 -16.113 112 HG2 LYS 13 2HG LYS 13 -0.690 -14.508 -17.628 113 HG3 LYS 13 3HG LYS 13 0.930 -14.018 -17.127 114 HD2 LYS 13 2HD LYS 13 0.922 -15.838 -15.453 115 HD3 LYS 13 3HD LYS 13 -0.656 -16.351 -16.054 116 HE2 LYS 13 2HE LYS 13 1.954 -16.320 -17.560 117 HE3 LYS 13 3HE LYS 13 1.030 -17.733 -17.055 118 HZ1 LYS 13 3HZ LYS 13 -0.809 -16.785 -18.502 119 HZ2 LYS 13 1HZ LYS 13 0.525 -17.454 -19.299 120 HZ3 LYS 13 2HZ LYS 13 0.373 -15.775 -19.168 121 HA PRO 14 HA PRO 14 -1.042 -8.894 -13.815 122 HB2 PRO 14 2HB PRO 14 -2.698 -7.963 -15.755 123 HB3 PRO 14 3HB PRO 14 -0.945 -7.741 -15.800 124 HG2 PRO 14 2HG PRO 14 -2.634 -9.769 -17.213 125 HG3 PRO 14 3HG PRO 14 -1.268 -8.823 -17.833 126 HD2 PRO 14 2HD PRO 14 -1.017 -11.404 -17.055 127 HD3 PRO 14 3HD PRO 14 0.297 -10.223 -16.883 128 H ASP 15 H ASP 15 -2.677 -8.719 -12.408 129 HA ASP 15 HA ASP 15 -4.602 -10.672 -12.032 130 HB2 ASP 15 2HB ASP 15 -4.239 -7.883 -11.052 131 HB3 ASP 15 3HB ASP 15 -5.808 -8.641 -10.793 132 H GLU 16 H GLU 16 -4.847 -7.610 -13.785 133 HA GLU 16 HA GLU 16 -6.384 -6.808 -15.258 134 HB2 GLU 16 2HB GLU 16 -6.637 -9.771 -15.592 135 HB3 GLU 16 3HB GLU 16 -7.776 -8.715 -16.415 136 HG2 GLU 16 2HG GLU 16 -5.876 -7.544 -17.468 137 HG3 GLU 16 3HG GLU 16 -4.781 -8.697 -16.707 138 H THR 17 H THR 17 -7.107 -7.392 -12.385 139 HA THR 17 HA THR 17 -10.036 -7.339 -12.718 140 HB THR 17 HB THR 17 -10.289 -8.300 -10.513 141 HG1 THR 17 HG1 THR 17 -8.689 -8.039 -9.163 142 HG21 THR 17 3HG2 THR 17 -10.087 -10.361 -11.346 143 HG22 THR 17 1HG2 THR 17 -8.328 -10.253 -11.343 144 HG23 THR 17 2HG2 THR 17 -9.246 -9.651 -12.723 145 H ARG 18 H ARG 18 -7.227 -5.892 -11.247 146 HA ARG 18 HA ARG 18 -8.459 -4.191 -9.402 147 HB2 ARG 18 2HB ARG 18 -5.958 -3.663 -11.017 148 HB3 ARG 18 3HB ARG 18 -6.421 -2.846 -9.531 149 HG2 ARG 18 2HG ARG 18 -5.869 -4.627 -8.212 150 HG3 ARG 18 3HG ARG 18 -6.163 -5.805 -9.493 151 HD2 ARG 18 2HD ARG 18 -3.902 -5.878 -9.530 152 HD3 ARG 18 3HD ARG 18 -4.109 -4.478 -10.583 153 HE ARG 18 HE ARG 18 -3.919 -3.772 -7.814 154 HH11 ARG 18 1HH1 ARG 18 -2.092 -4.561 -10.671 155 HH12 ARG 18 2HH1 ARG 18 -0.674 -3.708 -10.158 156 HH21 ARG 18 1HH2 ARG 18 -2.059 -2.645 -7.128 157 HH22 ARG 18 2HH2 ARG 18 -0.656 -2.620 -8.142 158 H VAL 19 H VAL 19 -7.912 -1.621 -9.898 159 HA VAL 19 HA VAL 19 -10.060 -0.678 -11.348 160 HB VAL 19 HB VAL 19 -8.707 0.655 -9.725 161 HG11 VAL 19 1HG1 VAL 19 -6.553 1.085 -10.055 162 HG12 VAL 19 2HG1 VAL 19 -6.612 0.038 -11.474 163 HG13 VAL 19 3HG1 VAL 19 -6.881 1.774 -11.645 164 HG21 VAL 19 3HG2 VAL 19 -10.287 1.518 -11.691 165 HG22 VAL 19 1HG2 VAL 19 -9.462 2.618 -10.586 166 HG23 VAL 19 2HG2 VAL 19 -8.788 2.305 -12.186 167 H LYS 20 H LYS 20 -10.252 0.373 -13.376 168 HA LYS 20 HA LYS 20 -8.119 -0.133 -15.320 169 HB2 LYS 20 2HB LYS 20 -10.994 -0.764 -15.964 170 HB3 LYS 20 3HB LYS 20 -9.558 -1.173 -16.893 171 HG2 LYS 20 2HG LYS 20 -9.835 -3.190 -15.959 172 HG3 LYS 20 3HG LYS 20 -9.022 -2.452 -14.577 173 HD2 LYS 20 2HD LYS 20 -11.037 -2.108 -13.432 174 HD3 LYS 20 3HD LYS 20 -12.005 -2.325 -14.892 175 HE2 LYS 20 2HE LYS 20 -10.319 -4.563 -13.840 176 HE3 LYS 20 3HE LYS 20 -11.899 -4.229 -13.132 177 HZ1 LYS 20 3HZ LYS 20 -11.249 -5.471 -15.631 178 HZ2 LYS 20 1HZ LYS 20 -12.376 -4.221 -15.807 179 HZ3 LYS 20 2HZ LYS 20 -12.695 -5.505 -14.753 180 H GLN 21 H GLN 21 -7.676 2.047 -15.478 181 HA GLN 21 HA GLN 21 -9.453 4.153 -15.615 182 HB2 GLN 21 2HB GLN 21 -6.668 3.728 -16.167 183 HB3 GLN 21 3HB GLN 21 -7.356 4.765 -17.409 184 HG2 GLN 21 2HG GLN 21 -6.673 6.295 -15.845 185 HG3 GLN 21 3HG GLN 21 -8.363 6.063 -15.402 186 HE21 GLN 21 1HE2 GLN 21 -8.799 4.518 -13.667 187 HE22 GLN 21 2HE2 GLN 21 -7.657 4.373 -12.379 188 H PHE 22 H PHE 22 -10.033 5.501 -17.499 189 HA PHE 22 HA PHE 22 -11.491 4.027 -19.394 190 HB2 PHE 22 2HB PHE 22 -12.233 6.230 -18.838 191 HB3 PHE 22 3HB PHE 22 -10.687 6.935 -19.301 192 HD1 PHE 22 HD2 PHE 22 -13.142 4.651 -20.946 193 HD2 PHE 22 HD1 PHE 22 -10.846 8.228 -21.179 194 HE1 PHE 22 HE2 PHE 22 -14.012 5.058 -23.211 195 HE2 PHE 22 HE1 PHE 22 -11.714 8.641 -23.444 196 HZ PHE 22 HZ PHE 22 -13.298 7.055 -24.464 197 H LEU 23 H LEU 23 -8.360 5.650 -19.585 198 HA LEU 23 HA LEU 23 -8.007 5.080 -22.375 199 HB2 LEU 23 2HB LEU 23 -6.249 6.171 -20.208 200 HB3 LEU 23 3HB LEU 23 -5.584 5.744 -21.783 201 HG LEU 23 HG LEU 23 -5.993 8.106 -21.721 202 HD11 LEU 23 1HD1 LEU 23 -7.134 6.352 -23.604 203 HD12 LEU 23 2HD1 LEU 23 -6.631 8.026 -23.840 204 HD13 LEU 23 3HD1 LEU 23 -8.289 7.663 -23.361 205 HD21 LEU 23 3HD2 LEU 23 -8.084 7.493 -20.044 206 HD22 LEU 23 1HD2 LEU 23 -8.897 8.013 -21.520 207 HD23 LEU 23 2HD2 LEU 23 -7.739 9.082 -20.729 208 H GLU 24 H GLU 24 -7.450 3.404 -19.427 209 HA GLU 24 HA GLU 24 -5.348 1.702 -20.236 210 HB2 GLU 24 2HB GLU 24 -7.315 1.786 -18.037 211 HB3 GLU 24 3HB GLU 24 -6.705 0.186 -18.435 212 HG2 GLU 24 2HG GLU 24 -4.383 1.181 -18.252 213 HG3 GLU 24 3HG GLU 24 -5.157 2.589 -17.528 214 H GLY 25 H GLY 25 -8.574 1.883 -21.232 215 HA2 GLY 25 2HA GLY 25 -8.850 -0.935 -21.872 216 HA3 GLY 25 3HA GLY 25 -10.013 0.336 -22.222 217 H PHE 26 H PHE 26 -7.758 1.951 -23.436 218 HA PHE 26 HA PHE 26 -7.931 0.710 -26.078 219 HB2 PHE 26 2HB PHE 26 -6.958 3.481 -25.356 220 HB3 PHE 26 3HB PHE 26 -7.345 2.884 -26.967 221 HD1 PHE 26 HD1 PHE 26 -8.777 3.808 -23.696 222 HD2 PHE 26 HD2 PHE 26 -9.562 2.888 -27.777 223 HE1 PHE 26 HE1 PHE 26 -11.094 4.589 -23.423 224 HE2 PHE 26 HE2 PHE 26 -11.880 3.668 -27.511 225 HZ PHE 26 HZ PHE 26 -12.649 4.521 -25.332 226 H ASN 27 H ASN 27 -5.987 0.977 -27.518 227 HA ASN 27 HA ASN 27 -3.772 -0.346 -26.360 228 HB2 ASN 27 2HB ASN 27 -4.450 0.750 -29.039 229 HB3 ASN 27 3HB ASN 27 -2.744 0.483 -28.695 230 HD21 ASN 27 1HD2 ASN 27 -3.293 -1.003 -30.595 231 HD22 ASN 27 2HD2 ASN 27 -3.715 -2.626 -30.179 232 H ILE 28 H ILE 28 -1.486 0.476 -26.630 233 HA ILE 28 HA ILE 28 -1.312 3.088 -25.362 234 HB ILE 28 HB ILE 28 -0.041 1.155 -24.453 235 HG12 ILE 28 2HG1 ILE 28 2.113 2.382 -24.195 236 HG13 ILE 28 3HG1 ILE 28 1.596 3.492 -25.459 237 HG21 ILE 28 1HG2 ILE 28 1.768 1.443 -26.836 238 HG22 ILE 28 2HG2 ILE 28 1.797 0.205 -25.581 239 HG23 ILE 28 3HG2 ILE 28 0.483 0.237 -26.757 240 HD11 ILE 28 3HD1 ILE 28 -0.472 3.409 -23.554 241 HD12 ILE 28 1HD1 ILE 28 1.045 3.563 -22.668 242 HD13 ILE 28 2HD1 ILE 28 0.628 4.738 -23.915 243 H GLU 29 H GLU 29 -0.728 1.614 -28.429 244 HA GLU 29 HA GLU 29 1.073 3.626 -29.404 245 HB2 GLU 29 2HB GLU 29 0.634 2.554 -31.624 246 HB3 GLU 29 3HB GLU 29 1.215 1.448 -30.387 247 HG2 GLU 29 2HG GLU 29 -0.598 0.182 -30.536 248 HG3 GLU 29 3HG GLU 29 -1.672 1.576 -30.427 249 H THR 30 H THR 30 -2.382 3.114 -29.396 250 HA THR 30 HA THR 30 -3.113 4.935 -31.402 251 HB THR 30 HB THR 30 -4.676 3.289 -30.413 252 HG1 THR 30 HG1 THR 30 -6.240 4.580 -31.026 253 HG21 THR 30 3HG2 THR 30 -3.868 4.462 -27.988 254 HG22 THR 30 1HG2 THR 30 -5.057 3.180 -28.220 255 HG23 THR 30 2HG2 THR 30 -5.573 4.866 -28.188 256 H PHE 31 H PHE 31 -1.917 5.430 -28.222 257 HA PHE 31 HA PHE 31 -2.962 8.122 -27.985 258 HB2 PHE 31 2HB PHE 31 -0.951 6.669 -26.253 259 HB3 PHE 31 3HB PHE 31 -1.751 8.187 -25.861 260 HD1 PHE 31 HD1 PHE 31 -4.515 7.528 -26.777 261 HD2 PHE 31 HD2 PHE 31 -1.688 5.272 -24.534 262 HE1 PHE 31 HE1 PHE 31 -6.354 6.285 -25.716 263 HE2 PHE 31 HE2 PHE 31 -3.522 4.025 -23.470 264 HZ PHE 31 HZ PHE 31 -5.859 4.530 -24.061 265 H GLU 32 H GLU 32 -1.641 10.005 -27.844 266 HA GLU 32 HA GLU 32 1.107 9.828 -28.763 267 HB2 GLU 32 2HB GLU 32 -0.967 11.381 -30.322 268 HB3 GLU 32 3HB GLU 32 0.763 11.375 -30.636 269 HG2 GLU 32 2HG GLU 32 0.633 8.956 -31.106 270 HG3 GLU 32 3HG GLU 32 -1.114 9.036 -30.888 271 H MET 33 H MET 33 2.327 11.329 -27.805 272 HA MET 33 HA MET 33 1.285 13.055 -25.854 273 HB2 MET 33 2HB MET 33 3.585 12.220 -25.791 274 HB3 MET 33 3HB MET 33 3.972 13.140 -27.238 275 HG2 MET 33 2HG MET 33 3.238 15.189 -25.852 276 HG3 MET 33 3HG MET 33 3.446 14.120 -24.466 277 HE1 MET 33 3HE MET 33 6.213 16.111 -23.763 278 HE2 MET 33 1HE MET 33 6.009 16.960 -25.295 279 HE3 MET 33 2HE MET 33 4.594 16.500 -24.348 280 H VAL 34 H VAL 34 0.028 14.753 -26.248 281 HA VAL 34 HA VAL 34 0.441 16.329 -28.681 282 HB VAL 34 HB VAL 34 -1.720 17.350 -28.206 283 HG11 VAL 34 1HG1 VAL 34 -3.068 15.516 -28.752 284 HG12 VAL 34 2HG1 VAL 34 -1.465 15.066 -29.335 285 HG13 VAL 34 3HG1 VAL 34 -2.075 14.395 -27.822 286 HG21 VAL 34 3HG2 VAL 34 -3.076 16.688 -26.319 287 HG22 VAL 34 1HG2 VAL 34 -1.825 15.571 -25.773 288 HG23 VAL 34 2HG2 VAL 34 -1.530 17.310 -25.740 289 H GLY 35 H GLY 35 0.735 16.509 -25.219 290 HA2 GLY 35 2HA GLY 35 2.217 18.970 -25.431 291 HA3 GLY 35 3HA GLY 35 0.668 19.162 -24.624 292 H THR 36 H THR 36 2.529 19.862 -23.034 293 HA THR 36 HA THR 36 2.620 17.803 -21.021 294 HB THR 36 HB THR 36 5.259 18.495 -20.887 295 HG1 THR 36 HG1 THR 36 6.073 18.272 -23.015 296 HG21 THR 36 3HG2 THR 36 5.723 16.240 -21.643 297 HG22 THR 36 1HG2 THR 36 4.139 16.141 -22.411 298 HG23 THR 36 2HG2 THR 36 4.263 16.241 -20.654 299 H LEU 37 H LEU 37 2.247 18.763 -19.139 300 HA LEU 37 HA LEU 37 2.917 21.614 -18.861 301 HB2 LEU 37 2HB LEU 37 0.514 20.945 -18.718 302 HB3 LEU 37 3HB LEU 37 0.914 20.019 -17.273 303 HG LEU 37 HG LEU 37 -0.146 22.309 -16.940 304 HD11 LEU 37 1HD1 LEU 37 0.643 22.095 -14.880 305 HD12 LEU 37 2HD1 LEU 37 2.257 22.585 -15.395 306 HD13 LEU 37 3HD1 LEU 37 1.780 20.890 -15.484 307 HD21 LEU 37 3HD2 LEU 37 2.532 23.524 -17.163 308 HD22 LEU 37 1HD2 LEU 37 0.938 24.214 -17.472 309 HD23 LEU 37 2HD2 LEU 37 1.704 23.187 -18.685 310 H SER 38 H SER 38 4.076 22.340 -17.127 311 HA SER 38 HA SER 38 4.837 20.452 -15.034 312 HB2 SER 38 2HB SER 38 7.162 20.659 -15.348 313 HB3 SER 38 3HB SER 38 6.531 20.430 -16.979 314 HG SER 38 HG SER 38 7.970 22.145 -16.996 315 H ASN 39 H ASN 39 4.630 21.408 -13.130 316 HA ASN 39 HA ASN 39 5.472 24.150 -12.737 317 HB2 ASN 39 2HB ASN 39 3.316 24.873 -11.782 318 HB3 ASN 39 3HB ASN 39 3.167 24.461 -13.488 319 HD21 ASN 39 1HD2 ASN 39 0.908 24.565 -12.135 320 HD22 ASN 39 2HD2 ASN 39 0.286 22.988 -11.802 321 H ALA 40 H ALA 40 4.675 24.730 -10.299 322 HA ALA 40 HA ALA 40 6.241 23.228 -8.592 323 HB1 ALA 40 1HB ALA 40 5.002 24.339 -6.748 324 HB2 ALA 40 2HB ALA 40 5.556 25.450 -8.001 325 HB3 ALA 40 3HB ALA 40 3.863 24.961 -7.942 326 H GLN 41 H GLN 41 2.907 22.748 -9.526 327 HA GLN 41 HA GLN 41 2.149 20.966 -7.485 328 HB2 GLN 41 2HB GLN 41 1.131 21.715 -10.157 329 HB3 GLN 41 3HB GLN 41 0.634 20.135 -9.567 330 HG2 GLN 41 2HG GLN 41 0.223 22.769 -8.171 331 HG3 GLN 41 3HG GLN 41 -1.007 21.818 -9.002 332 HE21 GLN 41 1HE2 GLN 41 0.806 22.247 -6.126 333 HE22 GLN 41 2HE2 GLN 41 0.066 20.988 -5.204 334 H GLY 42 H GLY 42 3.857 20.501 -10.516 335 HA2 GLY 42 2HA GLY 42 5.388 18.403 -10.017 336 HA3 GLY 42 3HA GLY 42 3.834 17.599 -10.177 337 H THR 43 H THR 43 4.772 16.436 -11.958 338 HA THR 43 HA THR 43 4.959 18.048 -14.420 339 HB THR 43 HB THR 43 6.070 15.551 -14.988 340 HG1 THR 43 HG1 THR 43 7.281 16.518 -12.613 341 HG21 THR 43 3HG2 THR 43 6.721 17.968 -15.630 342 HG22 THR 43 1HG2 THR 43 8.001 16.765 -15.484 343 HG23 THR 43 2HG2 THR 43 7.724 17.921 -14.181 344 H PHE 44 H PHE 44 3.325 17.798 -15.781 345 HA PHE 44 HA PHE 44 1.889 15.225 -15.800 346 HB2 PHE 44 2HB PHE 44 0.641 17.898 -16.443 347 HB3 PHE 44 3HB PHE 44 -0.177 16.361 -16.179 348 HD1 PHE 44 HD1 PHE 44 1.615 19.128 -14.553 349 HD2 PHE 44 HD2 PHE 44 -0.671 15.583 -13.983 350 HE1 PHE 44 HE1 PHE 44 1.341 19.691 -12.174 351 HE2 PHE 44 HE2 PHE 44 -0.949 16.141 -11.604 352 HZ PHE 44 HZ PHE 44 0.056 18.198 -10.696 353 H ALA 45 H ALA 45 1.179 14.438 -17.794 354 HA ALA 45 HA ALA 45 2.396 15.746 -20.140 355 HB1 ALA 45 1HB ALA 45 2.548 13.460 -21.122 356 HB2 ALA 45 2HB ALA 45 3.556 13.701 -19.695 357 HB3 ALA 45 3HB ALA 45 2.040 12.810 -19.563 358 H LEU 46 H LEU 46 1.050 16.373 -21.694 359 HA LEU 46 HA LEU 46 -1.762 15.687 -21.503 360 HB2 LEU 46 2HB LEU 46 -0.579 17.396 -23.653 361 HB3 LEU 46 3HB LEU 46 -2.181 17.476 -22.923 362 HG LEU 46 HG LEU 46 0.422 18.403 -21.716 363 HD11 LEU 46 1HD1 LEU 46 -1.533 19.665 -23.341 364 HD12 LEU 46 2HD1 LEU 46 -0.100 20.368 -22.591 365 HD13 LEU 46 3HD1 LEU 46 -1.634 20.354 -21.721 366 HD21 LEU 46 3HD2 LEU 46 -0.898 19.102 -19.788 367 HD22 LEU 46 1HD2 LEU 46 -0.977 17.354 -20.008 368 HD23 LEU 46 2HD2 LEU 46 -2.337 18.366 -20.495 369 H VAL 47 H VAL 47 -2.540 13.953 -22.488 370 HA VAL 47 HA VAL 47 -1.316 13.110 -25.035 371 HB VAL 47 HB VAL 47 -1.091 11.551 -23.005 372 HG11 VAL 47 1HG1 VAL 47 -3.734 10.425 -23.622 373 HG12 VAL 47 2HG1 VAL 47 -2.890 10.567 -22.079 374 HG13 VAL 47 3HG1 VAL 47 -3.760 11.952 -22.740 375 HG21 VAL 47 3HG2 VAL 47 -2.423 10.334 -25.414 376 HG22 VAL 47 1HG2 VAL 47 -0.781 10.977 -25.450 377 HG23 VAL 47 2HG2 VAL 47 -1.177 9.630 -24.383 378 H LYS 48 H LYS 48 -2.758 12.072 -26.570 379 HA LYS 48 HA LYS 48 -5.577 12.857 -26.257 380 HB2 LYS 48 2HB LYS 48 -4.426 14.467 -27.724 381 HB3 LYS 48 3HB LYS 48 -3.915 13.147 -28.767 382 HG2 LYS 48 2HG LYS 48 -6.545 12.707 -28.802 383 HG3 LYS 48 3HG LYS 48 -6.555 14.446 -28.500 384 HD2 LYS 48 2HD LYS 48 -4.810 14.481 -30.458 385 HD3 LYS 48 3HD LYS 48 -5.549 12.931 -30.867 386 HE2 LYS 48 2HE LYS 48 -7.585 13.880 -31.360 387 HE3 LYS 48 3HE LYS 48 -7.310 15.272 -30.315 388 HZ1 LYS 48 3HZ LYS 48 -5.961 14.778 -32.915 389 HZ2 LYS 48 1HZ LYS 48 -5.716 16.121 -31.914 390 HZ3 LYS 48 2HZ LYS 48 -7.218 15.879 -32.653 391 H GLY 49 H GLY 49 -6.968 11.247 -26.597 392 HA2 GLY 49 2HA GLY 49 -6.749 9.317 -28.633 393 HA3 GLY 49 3HA GLY 49 -6.145 8.621 -27.136 394 H ALA 50 H ALA 50 -8.045 7.169 -27.750 395 HA ALA 50 HA ALA 50 -10.191 6.446 -27.439 396 HB1 ALA 50 1HB ALA 50 -11.011 6.687 -25.221 397 HB2 ALA 50 2HB ALA 50 -9.251 6.619 -25.117 398 HB3 ALA 50 3HB ALA 50 -10.084 8.167 -24.971 399 H GLY 51 H GLY 51 -9.864 8.951 -28.966 400 HA2 GLY 51 2HA GLY 51 -11.310 10.383 -30.045 401 HA3 GLY 51 3HA GLY 51 -12.625 9.653 -29.136 402 H GLY 52 H GLY 52 -9.754 11.307 -27.880 403 HA2 GLY 52 2HA GLY 52 -10.933 13.802 -27.396 404 HA3 GLY 52 3HA GLY 52 -11.215 12.792 -25.986 405 H VAL 53 H VAL 53 -9.931 14.378 -24.834 406 HA VAL 53 HA VAL 53 -7.044 13.891 -25.177 407 HB VAL 53 HB VAL 53 -6.685 16.199 -24.240 408 HG11 VAL 53 1HG1 VAL 53 -6.989 17.315 -26.366 409 HG12 VAL 53 2HG1 VAL 53 -6.446 15.658 -26.635 410 HG13 VAL 53 3HG1 VAL 53 -8.140 16.083 -26.879 411 HG21 VAL 53 3HG2 VAL 53 -9.175 16.251 -23.466 412 HG22 VAL 53 1HG2 VAL 53 -8.394 17.733 -24.017 413 HG23 VAL 53 2HG2 VAL 53 -9.472 16.850 -25.098 414 H HIS 54 H HIS 54 -5.814 13.691 -23.309 415 HA HIS 54 HA HIS 54 -7.129 13.896 -20.721 416 HB2 HIS 54 2HB HIS 54 -5.672 11.383 -20.890 417 HB3 HIS 54 3HB HIS 54 -7.291 11.702 -20.275 418 HD1 HIS 54 HD1 HIS 54 -9.184 10.855 -21.653 419 HD2 HIS 54 HD2 HIS 54 -5.631 11.022 -23.800 420 HE1 HIS 54 HE1 HIS 54 -9.686 9.775 -23.867 421 H ARG 55 H ARG 55 -5.562 13.511 -18.915 422 HA ARG 55 HA ARG 55 -2.809 14.180 -19.718 423 HB2 ARG 55 2HB ARG 55 -2.630 15.785 -17.951 424 HB3 ARG 55 3HB ARG 55 -4.077 16.169 -18.873 425 HG2 ARG 55 2HG ARG 55 -5.430 15.018 -17.156 426 HG3 ARG 55 3HG ARG 55 -3.959 14.764 -16.215 427 HD2 ARG 55 2HD ARG 55 -3.774 16.974 -15.650 428 HD3 ARG 55 3HD ARG 55 -4.594 17.526 -17.111 429 HE ARG 55 HE ARG 55 -6.475 16.170 -15.587 430 HH11 ARG 55 1HH1 ARG 55 -4.484 19.013 -15.314 431 HH12 ARG 55 2HH1 ARG 55 -5.600 19.856 -14.293 432 HH21 ARG 55 1HH2 ARG 55 -7.953 17.270 -14.243 433 HH22 ARG 55 2HH2 ARG 55 -7.573 18.864 -13.683 434 H VAL 56 H VAL 56 -1.190 13.183 -18.612 435 HA VAL 56 HA VAL 56 -1.871 11.588 -16.250 436 HB VAL 56 HB VAL 56 -0.704 9.629 -17.088 437 HG11 VAL 56 1HG1 VAL 56 -3.044 9.606 -17.480 438 HG12 VAL 56 2HG1 VAL 56 -2.889 10.676 -18.875 439 HG13 VAL 56 3HG1 VAL 56 -2.279 9.023 -18.958 440 HG21 VAL 56 3HG2 VAL 56 -0.304 11.289 -19.570 441 HG22 VAL 56 1HG2 VAL 56 0.932 10.579 -18.531 442 HG23 VAL 56 2HG2 VAL 56 -0.089 9.539 -19.524 443 H ARG 57 H ARG 57 -0.321 11.575 -14.721 444 HA ARG 57 HA ARG 57 2.248 12.845 -15.402 445 HB2 ARG 57 2HB ARG 57 2.364 13.533 -13.035 446 HB3 ARG 57 3HB ARG 57 0.948 14.185 -13.849 447 HG2 ARG 57 2HG ARG 57 -0.503 12.713 -12.741 448 HG3 ARG 57 3HG ARG 57 0.822 11.674 -12.214 449 HD2 ARG 57 2HD ARG 57 1.596 13.315 -10.670 450 HD3 ARG 57 3HD ARG 57 0.506 14.534 -11.329 451 HE ARG 57 HE ARG 57 -0.897 12.262 -10.319 452 HH11 ARG 57 1HH1 ARG 57 0.674 15.231 -9.404 453 HH12 ARG 57 2HH1 ARG 57 -0.258 15.432 -7.958 454 HH21 ARG 57 1HH2 ARG 57 -2.132 12.515 -8.417 455 HH22 ARG 57 2HH2 ARG 57 -1.853 13.886 -7.397 456 H VAL 58 H VAL 58 3.936 12.233 -13.565 457 HA VAL 58 HA VAL 58 4.753 9.636 -13.995 458 HB VAL 58 HB VAL 58 5.352 11.293 -11.541 459 HG11 VAL 58 1HG1 VAL 58 6.579 8.826 -12.712 460 HG12 VAL 58 2HG1 VAL 58 7.543 9.940 -11.740 461 HG13 VAL 58 3HG1 VAL 58 6.124 9.160 -11.042 462 HG21 VAL 58 3HG2 VAL 58 7.412 11.914 -12.842 463 HG22 VAL 58 1HG2 VAL 58 6.640 11.207 -14.261 464 HG23 VAL 58 2HG2 VAL 58 5.905 12.593 -13.456 465 H GLY 59 H GLY 59 4.043 7.719 -13.338 466 HA2 GLY 59 2HA GLY 59 3.473 6.207 -11.552 467 HA3 GLY 59 3HA GLY 59 2.661 7.539 -10.742 468 H ASP 60 H ASP 60 1.382 8.416 -13.264 469 HA ASP 60 HA ASP 60 -1.046 7.044 -13.005 470 HB2 ASP 60 2HB ASP 60 0.045 8.863 -15.145 471 HB3 ASP 60 3HB ASP 60 -1.570 8.168 -15.253 472 H TYR 61 H TYR 61 -2.182 5.942 -14.868 473 HA TYR 61 HA TYR 61 -0.342 4.184 -16.345 474 HB2 TYR 61 2HB TYR 61 -2.903 3.268 -15.026 475 HB3 TYR 61 3HB TYR 61 -1.736 2.264 -15.879 476 HD1 TYR 61 HD1 TYR 61 -2.406 4.134 -12.790 477 HD2 TYR 61 HD2 TYR 61 0.325 1.582 -14.824 478 HE1 TYR 61 HE1 TYR 61 -1.219 3.728 -10.675 479 HE2 TYR 61 HE2 TYR 61 1.519 1.168 -12.714 480 HH TYR 61 HH TYR 61 0.368 2.535 -9.653 481 H LEU 62 H LEU 62 -0.974 3.587 -18.392 482 HA LEU 62 HA LEU 62 -3.610 4.194 -19.385 483 HB2 LEU 62 2HB LEU 62 -2.852 5.727 -21.135 484 HB3 LEU 62 3HB LEU 62 -2.612 6.389 -19.519 485 HG LEU 62 HG LEU 62 -0.330 5.025 -20.871 486 HD11 LEU 62 1HD1 LEU 62 0.285 7.292 -21.804 487 HD12 LEU 62 2HD1 LEU 62 -1.396 7.754 -21.540 488 HD13 LEU 62 3HD1 LEU 62 -1.008 6.431 -22.639 489 HD21 LEU 62 3HD2 LEU 62 0.083 7.540 -19.464 490 HD22 LEU 62 1HD2 LEU 62 0.865 5.974 -19.243 491 HD23 LEU 62 2HD2 LEU 62 -0.681 6.305 -18.461 492 H GLY 63 H GLY 63 -4.089 3.126 -21.291 493 HA2 GLY 63 2HA GLY 63 -3.570 1.911 -23.254 494 HA3 GLY 63 3HA GLY 63 -1.923 1.721 -22.672 495 H ARG 64 H ARG 64 -3.766 -0.296 -23.713 496 HA ARG 64 HA ARG 64 -4.867 -1.874 -21.674 497 HB2 ARG 64 2HB ARG 64 -4.063 -2.317 -24.502 498 HB3 ARG 64 3HB ARG 64 -4.305 -3.743 -23.503 499 HG2 ARG 64 2HG ARG 64 -6.559 -3.315 -23.206 500 HG3 ARG 64 3HG ARG 64 -6.386 -1.602 -23.595 501 HD2 ARG 64 2HD ARG 64 -7.497 -2.764 -25.409 502 HD3 ARG 64 3HD ARG 64 -5.910 -2.199 -25.931 503 HE ARG 64 HE ARG 64 -5.571 -4.796 -25.038 504 HH11 ARG 64 1HH1 ARG 64 -7.355 -3.149 -27.533 505 HH12 ARG 64 2HH1 ARG 64 -7.325 -4.495 -28.624 506 HH21 ARG 64 1HH2 ARG 64 -5.524 -6.574 -26.465 507 HH22 ARG 64 2HH2 ARG 64 -6.284 -6.443 -28.015 508 H ASN 65 H ASN 65 -1.613 -1.328 -22.570 509 HA ASN 65 HA ASN 65 -0.649 -3.784 -21.333 510 HB2 ASN 65 2HB ASN 65 0.941 -1.500 -22.522 511 HB3 ASN 65 3HB ASN 65 1.553 -3.094 -22.088 512 HD21 ASN 65 1HD2 ASN 65 -0.430 -4.712 -23.078 513 HD22 ASN 65 2HD2 ASN 65 -0.466 -4.589 -24.801 514 H ASP 66 H ASP 66 -1.929 -1.295 -19.985 515 HA ASP 66 HA ASP 66 -1.709 -0.129 -18.040 516 HB2 ASP 66 2HB ASP 66 -0.106 -2.616 -17.505 517 HB3 ASP 66 3HB ASP 66 -0.241 -1.353 -16.285 518 H GLY 67 H GLY 67 -0.230 1.013 -19.965 519 HA2 GLY 67 2HA GLY 67 2.525 1.273 -19.505 520 HA3 GLY 67 3HA GLY 67 1.516 2.458 -20.322 521 H LYS 68 H LYS 68 3.282 1.718 -17.514 522 HA LYS 68 HA LYS 68 2.021 3.781 -15.896 523 HB2 LYS 68 2HB LYS 68 2.737 1.712 -14.805 524 HB3 LYS 68 3HB LYS 68 4.391 1.987 -15.336 525 HG2 LYS 68 2HG LYS 68 4.221 4.191 -14.019 526 HG3 LYS 68 3HG LYS 68 2.816 3.446 -13.253 527 HD2 LYS 68 2HD LYS 68 4.685 2.985 -11.861 528 HD3 LYS 68 3HD LYS 68 4.294 1.484 -12.702 529 HE2 LYS 68 2HE LYS 68 6.086 1.870 -14.286 530 HE3 LYS 68 3HE LYS 68 6.437 3.432 -13.547 531 HZ1 LYS 68 3HZ LYS 68 6.671 0.814 -12.165 532 HZ2 LYS 68 1HZ LYS 68 7.091 2.324 -11.529 533 HZ3 LYS 68 2HZ LYS 68 7.967 1.679 -12.824 534 H VAL 69 H VAL 69 2.633 5.834 -15.940 535 HA VAL 69 HA VAL 69 4.747 6.783 -17.544 536 HB VAL 69 HB VAL 69 3.282 8.207 -15.317 537 HG11 VAL 69 1HG1 VAL 69 4.008 10.265 -16.437 538 HG12 VAL 69 2HG1 VAL 69 5.380 9.313 -15.865 539 HG13 VAL 69 3HG1 VAL 69 4.951 9.306 -17.576 540 HG21 VAL 69 3HG2 VAL 69 1.868 7.304 -17.174 541 HG22 VAL 69 1HG2 VAL 69 1.816 9.058 -17.000 542 HG23 VAL 69 2HG2 VAL 69 2.777 8.327 -18.286 543 H VAL 70 H VAL 70 6.852 6.959 -17.158 544 HA VAL 70 HA VAL 70 7.779 6.856 -14.360 545 HB VAL 70 HB VAL 70 9.769 5.683 -15.082 546 HG11 VAL 70 1HG1 VAL 70 8.655 3.575 -16.002 547 HG12 VAL 70 2HG1 VAL 70 8.064 4.197 -14.460 548 HG13 VAL 70 3HG1 VAL 70 7.150 4.490 -15.939 549 HG21 VAL 70 3HG2 VAL 70 8.580 5.808 -17.853 550 HG22 VAL 70 1HG2 VAL 70 10.020 6.658 -17.292 551 HG23 VAL 70 2HG2 VAL 70 10.021 4.898 -17.399 552 H GLY 71 H GLY 71 8.142 8.288 -17.530 553 HA2 GLY 71 2HA GLY 71 9.763 10.415 -16.304 554 HA3 GLY 71 3HA GLY 71 10.318 9.660 -17.790 555 H ILE 72 H ILE 72 9.401 12.452 -17.059 556 HA ILE 72 HA ILE 72 7.539 12.749 -19.316 557 HB ILE 72 HB ILE 72 7.367 14.232 -16.691 558 HG12 ILE 72 2HG1 ILE 72 5.397 12.354 -18.012 559 HG13 ILE 72 3HG1 ILE 72 6.459 11.915 -16.680 560 HG21 ILE 72 1HG2 ILE 72 6.515 14.961 -19.332 561 HG22 ILE 72 2HG2 ILE 72 5.117 14.752 -18.279 562 HG23 ILE 72 3HG2 ILE 72 6.399 15.875 -17.828 563 HD11 ILE 72 3HD1 ILE 72 5.366 13.579 -15.267 564 HD12 ILE 72 1HD1 ILE 72 4.295 14.003 -16.602 565 HD13 ILE 72 2HD1 ILE 72 4.221 12.391 -15.890 566 H SER 73 H SER 73 8.742 13.705 -20.831 567 HA SER 73 HA SER 73 10.632 15.804 -20.050 568 HB2 SER 73 2HB SER 73 10.397 14.778 -22.854 569 HB3 SER 73 3HB SER 73 11.820 15.364 -21.994 570 HG SER 73 HG SER 73 11.817 13.446 -20.791 571 H GLU 74 H GLU 74 10.810 17.292 -22.317 572 HA GLU 74 HA GLU 74 8.287 18.755 -22.243 573 HB2 GLU 74 2HB GLU 74 9.590 20.541 -23.403 574 HB3 GLU 74 3HB GLU 74 10.244 20.085 -21.836 575 HG2 GLU 74 2HG GLU 74 12.039 18.921 -22.801 576 HG3 GLU 74 3HG GLU 74 11.286 18.921 -24.395 577 H GLY 75 H GLY 75 10.109 16.714 -24.330 578 HA2 GLY 75 2HA GLY 75 8.161 17.244 -26.484 579 HA3 GLY 75 3HA GLY 75 9.871 17.042 -26.834 580 H LYS 76 H LYS 76 8.800 15.080 -24.291 581 HA LYS 76 HA LYS 76 7.740 12.901 -25.763 582 HB2 LYS 76 2HB LYS 76 9.675 11.360 -25.510 583 HB3 LYS 76 3HB LYS 76 9.976 12.673 -26.640 584 HG2 LYS 76 2HG LYS 76 10.810 13.005 -23.803 585 HG3 LYS 76 3HG LYS 76 11.771 11.974 -24.866 586 HD2 LYS 76 2HD LYS 76 11.497 14.099 -26.468 587 HD3 LYS 76 3HD LYS 76 11.377 14.911 -24.905 588 HE2 LYS 76 2HE LYS 76 13.501 13.894 -24.224 589 HE3 LYS 76 3HE LYS 76 13.619 13.095 -25.791 590 HZ1 LYS 76 3HZ LYS 76 13.915 15.948 -25.138 591 HZ2 LYS 76 1HZ LYS 76 13.414 15.496 -26.690 592 HZ3 LYS 76 2HZ LYS 76 14.903 14.960 -26.092 593 H ILE 77 H ILE 77 7.347 11.023 -24.427 594 HA ILE 77 HA ILE 77 7.709 11.495 -21.547 595 HB ILE 77 HB ILE 77 5.159 10.378 -22.698 596 HG12 ILE 77 2HG1 ILE 77 5.432 12.696 -23.469 597 HG13 ILE 77 3HG1 ILE 77 4.137 12.569 -22.283 598 HG21 ILE 77 1HG2 ILE 77 4.268 10.741 -20.496 599 HG22 ILE 77 2HG2 ILE 77 5.761 9.814 -20.358 600 HG23 ILE 77 3HG2 ILE 77 5.754 11.537 -19.980 601 HD11 ILE 77 3HD1 ILE 77 5.147 13.972 -20.889 602 HD12 ILE 77 1HD1 ILE 77 6.709 13.176 -21.080 603 HD13 ILE 77 2HD1 ILE 77 6.187 14.386 -22.252 604 H ASP 78 H ASP 78 8.661 9.833 -20.590 605 HA ASP 78 HA ASP 78 8.810 7.273 -21.973 606 HB2 ASP 78 2HB ASP 78 10.235 8.346 -19.533 607 HB3 ASP 78 3HB ASP 78 10.466 6.718 -20.164 608 H VAL 79 H VAL 79 7.694 5.518 -21.405 609 HA VAL 79 HA VAL 79 6.560 5.329 -18.714 610 HB VAL 79 HB VAL 79 4.361 4.762 -19.485 611 HG11 VAL 79 1HG1 VAL 79 4.899 7.173 -21.141 612 HG12 VAL 79 2HG1 VAL 79 3.623 6.874 -19.959 613 HG13 VAL 79 3HG1 VAL 79 5.261 7.241 -19.417 614 HG21 VAL 79 3HG2 VAL 79 4.284 5.394 -22.197 615 HG22 VAL 79 1HG2 VAL 79 5.716 4.383 -22.006 616 HG23 VAL 79 2HG2 VAL 79 4.141 3.791 -21.477 617 H ILE 80 H ILE 80 5.914 3.178 -18.119 618 HA ILE 80 HA ILE 80 7.380 1.129 -19.634 619 HB ILE 80 HB ILE 80 6.741 1.449 -16.734 620 HG12 ILE 80 2HG1 ILE 80 8.944 2.098 -17.780 621 HG13 ILE 80 3HG1 ILE 80 9.064 0.957 -16.446 622 HG21 ILE 80 1HG2 ILE 80 7.454 -0.969 -16.450 623 HG22 ILE 80 2HG2 ILE 80 5.823 -0.694 -17.061 624 HG23 ILE 80 3HG2 ILE 80 7.112 -1.165 -18.169 625 HD11 ILE 80 3HD1 ILE 80 9.435 -0.858 -17.947 626 HD12 ILE 80 1HD1 ILE 80 9.093 0.161 -19.344 627 HD13 ILE 80 2HD1 ILE 80 10.539 0.448 -18.375 628 H GLU 81 H GLU 81 6.189 -0.168 -20.853 629 HA GLU 81 HA GLU 81 3.403 -0.689 -20.064 630 HB2 GLU 81 2HB GLU 81 4.684 -0.969 -22.788 631 HB3 GLU 81 3HB GLU 81 2.986 -1.230 -22.414 632 HG2 GLU 81 2HG GLU 81 2.670 0.886 -22.992 633 HG3 GLU 81 3HG GLU 81 3.454 1.313 -21.472 634 H ILE 82 H ILE 82 2.553 -2.838 -20.439 635 HA ILE 82 HA ILE 82 4.559 -4.882 -19.844 636 HB ILE 82 HB ILE 82 1.552 -5.111 -19.707 637 HG12 ILE 82 2HG1 ILE 82 2.319 -3.423 -18.132 638 HG13 ILE 82 3HG1 ILE 82 1.859 -4.880 -17.258 639 HG21 ILE 82 1HG2 ILE 82 3.456 -7.095 -19.747 640 HG22 ILE 82 2HG2 ILE 82 3.161 -6.857 -18.026 641 HG23 ILE 82 3HG2 ILE 82 1.821 -7.243 -19.105 642 HD11 ILE 82 3HD1 ILE 82 3.918 -3.840 -16.406 643 HD12 ILE 82 1HD1 ILE 82 4.166 -5.491 -16.974 644 HD13 ILE 82 2HD1 ILE 82 4.683 -4.129 -17.969 645 H VAL 83 H VAL 83 5.145 -6.385 -21.269 646 HA VAL 83 HA VAL 83 3.399 -6.908 -23.579 647 HB VAL 83 HB VAL 83 5.185 -5.446 -24.353 648 HG11 VAL 83 1HG1 VAL 83 7.190 -7.544 -23.585 649 HG12 VAL 83 2HG1 VAL 83 7.474 -5.878 -24.093 650 HG13 VAL 83 3HG1 VAL 83 6.777 -6.211 -22.507 651 HG21 VAL 83 3HG2 VAL 83 6.163 -6.942 -26.091 652 HG22 VAL 83 1HG2 VAL 83 5.466 -8.315 -25.232 653 HG23 VAL 83 2HG2 VAL 83 4.413 -7.083 -25.927 654 HA PRO 84 HA PRO 84 3.968 -11.111 -22.321 655 HB2 PRO 84 2HB PRO 84 2.915 -12.281 -24.533 656 HB3 PRO 84 3HB PRO 84 1.924 -11.506 -23.292 657 HG2 PRO 84 2HG PRO 84 2.826 -10.435 -25.938 658 HG3 PRO 84 3HG PRO 84 1.234 -10.313 -25.165 659 HD2 PRO 84 2HD PRO 84 3.027 -8.284 -25.136 660 HD3 PRO 84 3HD PRO 84 1.889 -8.572 -23.805 661 H ASP 85 H ASP 85 5.245 -12.925 -22.822 662 HA ASP 85 HA ASP 85 7.506 -12.330 -24.550 663 HB2 ASP 85 2HB ASP 85 8.104 -13.177 -22.403 664 HB3 ASP 85 3HB ASP 85 6.966 -14.514 -22.538 665 H GLY 86 H GLY 86 5.275 -15.081 -24.087 666 HA2 GLY 86 2HA GLY 86 4.469 -15.490 -26.648 667 HA3 GLY 86 3HA GLY 86 6.052 -16.252 -26.605 668 H GLU 87 H GLU 87 5.552 -16.905 -23.685 669 HA GLU 87 HA GLU 87 3.945 -19.311 -24.204 670 HB2 GLU 87 2HB GLU 87 5.796 -18.941 -21.863 671 HB3 GLU 87 3HB GLU 87 5.202 -20.440 -22.564 672 HG2 GLU 87 2HG GLU 87 7.110 -18.548 -23.919 673 HG3 GLU 87 3HG GLU 87 7.579 -20.006 -23.045 674 H GLY 88 H GLY 88 4.195 -16.467 -22.232 675 HA2 GLY 88 2HA GLY 88 1.696 -16.093 -21.445 676 HA3 GLY 88 3HA GLY 88 2.149 -17.411 -20.374 677 H ASN 89 H ASN 89 4.983 -16.127 -20.540 678 HA ASN 89 HA ASN 89 4.651 -14.568 -18.135 679 HB2 ASN 89 2HB ASN 89 7.021 -14.616 -17.953 680 HB3 ASN 89 3HB ASN 89 6.550 -16.199 -18.565 681 HD21 ASN 89 1HD2 ASN 89 7.255 -16.855 -20.523 682 HD22 ASN 89 2HD2 ASN 89 8.309 -15.931 -21.533 683 H TRP 90 H TRP 90 4.817 -12.401 -17.907 684 HA TRP 90 HA TRP 90 4.945 -10.826 -20.373 685 HB2 TRP 90 2HB TRP 90 4.062 -9.993 -17.600 686 HB3 TRP 90 3HB TRP 90 3.936 -9.022 -19.065 687 HD1 TRP 90 HD1 TRP 90 2.468 -12.242 -17.516 688 HE1 TRP 90 HE1 TRP 90 0.142 -12.637 -18.545 689 HE3 TRP 90 HE3 TRP 90 2.457 -8.472 -20.969 690 HZ2 TRP 90 HZ2 TRP 90 -1.483 -11.500 -20.555 691 HZ3 TRP 90 HZ3 TRP 90 0.479 -8.194 -22.406 692 HH2 TRP 90 HH2 TRP 90 -1.449 -9.678 -22.202 693 H LEU 91 H LEU 91 6.100 -8.750 -20.320 694 HA LEU 91 HA LEU 91 8.297 -8.596 -18.402 695 HB2 LEU 91 2HB LEU 91 8.563 -9.479 -21.121 696 HB3 LEU 91 3HB LEU 91 9.436 -7.966 -20.891 697 HG LEU 91 HG LEU 91 10.957 -9.782 -20.563 698 HD11 LEU 91 1HD1 LEU 91 11.838 -9.229 -18.453 699 HD12 LEU 91 2HD1 LEU 91 10.248 -8.833 -17.802 700 HD13 LEU 91 3HD1 LEU 91 10.995 -7.782 -19.005 701 HD21 LEU 91 3HD2 LEU 91 8.810 -11.222 -19.725 702 HD22 LEU 91 1HD2 LEU 91 9.643 -10.918 -18.200 703 HD23 LEU 91 2HD2 LEU 91 10.492 -11.716 -19.524 704 H GLU 92 H GLU 92 9.399 -6.524 -18.424 705 HA GLU 92 HA GLU 92 7.559 -4.363 -18.800 706 HB2 GLU 92 2HB GLU 92 10.492 -4.246 -18.077 707 HB3 GLU 92 3HB GLU 92 9.313 -2.959 -17.868 708 HG2 GLU 92 2HG GLU 92 9.364 -3.780 -15.753 709 HG3 GLU 92 3HG GLU 92 8.080 -4.783 -16.426 710 H ARG 93 H ARG 93 7.660 -2.664 -20.242 711 HA ARG 93 HA ARG 93 9.667 -2.824 -22.379 712 HB2 ARG 93 2HB ARG 93 7.411 -3.903 -22.982 713 HB3 ARG 93 3HB ARG 93 6.772 -2.265 -22.982 714 HG2 ARG 93 2HG ARG 93 7.319 -2.892 -25.227 715 HG3 ARG 93 3HG ARG 93 8.454 -1.653 -24.688 716 HD2 ARG 93 2HD ARG 93 10.162 -3.287 -24.313 717 HD3 ARG 93 3HD ARG 93 9.029 -4.608 -24.596 718 HE ARG 93 HE ARG 93 10.458 -3.128 -26.567 719 HH11 ARG 93 1HH1 ARG 93 7.474 -4.812 -25.953 720 HH12 ARG 93 2HH1 ARG 93 7.191 -5.187 -27.620 721 HH21 ARG 93 1HH2 ARG 93 10.097 -3.616 -28.766 722 HH22 ARG 93 2HH2 ARG 93 8.684 -4.508 -29.219 723 HA PRO 94 HA PRO 94 9.494 1.473 -20.831 724 HB2 PRO 94 2HB PRO 94 12.099 1.994 -21.392 725 HB3 PRO 94 3HB PRO 94 11.579 1.184 -19.910 726 HG2 PRO 94 2HG PRO 94 12.673 0.000 -22.433 727 HG3 PRO 94 3HG PRO 94 13.050 -0.409 -20.749 728 HD2 PRO 94 2HD PRO 94 11.358 -1.884 -22.263 729 HD3 PRO 94 3HD PRO 94 11.159 -1.704 -20.508 730 H ARG 95 H ARG 95 8.175 2.246 -22.494 731 HA ARG 95 HA ARG 95 9.464 2.788 -25.075 732 HB2 ARG 95 2HB ARG 95 6.542 2.943 -24.313 733 HB3 ARG 95 3HB ARG 95 7.200 3.184 -25.926 734 HG2 ARG 95 2HG ARG 95 7.824 0.625 -24.571 735 HG3 ARG 95 3HG ARG 95 6.170 0.873 -25.134 736 HD2 ARG 95 2HD ARG 95 7.315 -0.187 -26.908 737 HD3 ARG 95 3HD ARG 95 7.159 1.508 -27.369 738 HE ARG 95 HE ARG 95 9.633 0.898 -26.041 739 HH11 ARG 95 1HH1 ARG 95 7.964 0.959 -29.096 740 HH12 ARG 95 2HH1 ARG 95 9.415 1.085 -30.034 741 HH21 ARG 95 1HH2 ARG 95 11.550 1.063 -27.266 742 HH22 ARG 95 2HH2 ARG 95 11.454 1.143 -28.992 743 H SER 96 H SER 96 8.638 4.901 -26.116 744 HA SER 96 HA SER 96 8.360 7.061 -24.165 745 HB2 SER 96 2HB SER 96 10.193 7.982 -26.137 746 HB3 SER 96 3HB SER 96 10.464 7.787 -24.405 747 HG SER 96 HG SER 96 11.773 6.531 -26.114 748 H LEU 97 H LEU 97 6.781 8.368 -24.783 749 HA LEU 97 HA LEU 97 5.922 8.334 -27.580 750 HB2 LEU 97 2HB LEU 97 4.474 9.687 -25.332 751 HB3 LEU 97 3HB LEU 97 3.828 9.087 -26.857 752 HG LEU 97 HG LEU 97 4.614 6.763 -25.802 753 HD11 LEU 97 1HD1 LEU 97 3.543 7.489 -23.296 754 HD12 LEU 97 2HD1 LEU 97 4.862 8.608 -23.641 755 HD13 LEU 97 3HD1 LEU 97 5.154 6.869 -23.657 756 HD21 LEU 97 3HD2 LEU 97 2.048 8.206 -25.141 757 HD22 LEU 97 1HD2 LEU 97 2.302 6.463 -25.044 758 HD23 LEU 97 2HD2 LEU 97 2.377 7.279 -26.606 759 H THR 98 H THR 98 7.026 9.785 -28.751 760 HA THR 98 HA THR 98 7.881 12.309 -27.664 761 HB THR 98 HB THR 98 8.743 12.770 -29.923 762 HG1 THR 98 HG1 THR 98 8.450 11.199 -31.550 763 HG21 THR 98 3HG2 THR 98 9.997 11.341 -28.268 764 HG22 THR 98 1HG2 THR 98 10.443 11.100 -29.957 765 HG23 THR 98 2HG2 THR 98 9.400 9.932 -29.144 766 H LEU 99 H LEU 99 7.254 14.383 -28.440 767 HA LEU 99 HA LEU 99 4.545 14.878 -28.532 768 HB2 LEU 99 2HB LEU 99 6.596 16.462 -28.247 769 HB3 LEU 99 3HB LEU 99 6.439 16.671 -29.990 770 HG LEU 99 HG LEU 99 4.068 17.407 -29.583 771 HD11 LEU 99 1HD1 LEU 99 4.879 17.854 -26.740 772 HD12 LEU 99 2HD1 LEU 99 4.124 16.338 -27.228 773 HD13 LEU 99 3HD1 LEU 99 3.269 17.863 -27.461 774 HD21 LEU 99 3HD2 LEU 99 5.747 19.043 -30.064 775 HD22 LEU 99 1HD2 LEU 99 6.347 18.989 -28.406 776 HD23 LEU 99 2HD2 LEU 99 4.749 19.655 -28.744 777 H LYS 100 H LYS 100 3.108 14.191 -29.965 778 HA LYS 100 HA LYS 100 3.610 14.637 -32.805 779 HB2 LYS 100 2HB LYS 100 4.168 12.201 -31.979 780 HB3 LYS 100 3HB LYS 100 2.420 12.008 -32.016 781 HG2 LYS 100 2HG LYS 100 2.310 12.175 -34.298 782 HG3 LYS 100 3HG LYS 100 3.790 13.130 -34.408 783 HD2 LYS 100 2HD LYS 100 4.421 11.056 -35.259 784 HD3 LYS 100 3HD LYS 100 4.970 10.992 -33.582 785 HE2 LYS 100 2HE LYS 100 2.781 9.855 -33.043 786 HE3 LYS 100 3HE LYS 100 2.518 9.721 -34.781 787 HZ1 LYS 100 3HZ LYS 100 4.938 8.692 -34.624 788 HZ2 LYS 100 1HZ LYS 100 3.544 7.754 -34.426 789 HZ3 LYS 100 2HZ LYS 100 4.400 8.295 -33.071 790 H GLU 101 H GLU 101 1.885 15.494 -33.774 791 HA GLU 101 HA GLU 101 -0.744 15.151 -32.487 792 HB2 GLU 101 2HB GLU 101 0.538 17.609 -33.650 793 HB3 GLU 101 3HB GLU 101 -1.211 17.472 -33.529 794 HG2 GLU 101 2HG GLU 101 -1.070 17.225 -31.135 795 HG3 GLU 101 3HG GLU 101 0.692 17.226 -31.211 796 H ARG 102 H ARG 102 -0.892 13.312 -33.995 797 HA ARG 102 HA ARG 102 -1.735 14.214 -36.670 798 HB2 ARG 102 2HB ARG 102 -0.020 11.921 -35.852 799 HB3 ARG 102 3HB ARG 102 -1.127 11.672 -37.196 800 HG2 ARG 102 2HG ARG 102 0.917 12.324 -38.152 801 HG3 ARG 102 3HG ARG 102 -0.128 13.744 -38.238 802 HD2 ARG 102 2HD ARG 102 1.010 14.836 -36.523 803 HD3 ARG 102 3HD ARG 102 1.728 13.342 -35.922 804 HE ARG 102 HE ARG 102 3.426 13.578 -37.446 805 HH11 ARG 102 1HH1 ARG 102 0.832 15.754 -38.255 806 HH12 ARG 102 2HH1 ARG 102 1.741 16.595 -39.467 807 HH21 ARG 102 1HH2 ARG 102 4.633 14.677 -39.039 808 HH22 ARG 102 2HH2 ARG 102 3.903 15.981 -39.912 809 H SER 103 H SER 103 -3.846 13.991 -36.934 810 HA SER 103 HA SER 103 -5.501 12.543 -35.158 811 HB2 SER 103 2HB SER 103 -7.310 13.056 -36.802 812 HB3 SER 103 3HB SER 103 -6.372 14.474 -36.333 813 HG SER 103 HG SER 103 -6.744 14.288 -38.621 814 H LEU 104 H LEU 104 -6.759 10.678 -35.523 815 HA LEU 104 HA LEU 104 -5.491 8.771 -37.349 816 HB2 LEU 104 2HB LEU 104 -7.133 8.508 -34.864 817 HB3 LEU 104 3HB LEU 104 -7.007 7.155 -35.986 818 HG LEU 104 HG LEU 104 -5.433 6.892 -34.167 819 HD11 LEU 104 1HD1 LEU 104 -4.881 6.435 -36.701 820 HD12 LEU 104 2HD1 LEU 104 -3.665 6.217 -35.444 821 HD13 LEU 104 3HD1 LEU 104 -3.666 7.683 -36.424 822 HD21 LEU 104 3HD2 LEU 104 -4.006 8.484 -33.407 823 HD22 LEU 104 1HD2 LEU 104 -5.256 9.551 -34.048 824 HD23 LEU 104 2HD2 LEU 104 -3.805 9.223 -34.996 825 H GLU 105 H GLU 105 -7.454 10.856 -38.158 826 HA GLU 105 HA GLU 105 -9.668 9.151 -39.072 827 HB2 GLU 105 2HB GLU 105 -9.389 12.114 -38.680 828 HB3 GLU 105 3HB GLU 105 -10.626 11.471 -39.751 829 HG2 GLU 105 2HG GLU 105 -11.380 10.049 -37.796 830 HG3 GLU 105 3HG GLU 105 -10.328 11.049 -36.796 831 H HIS 106 H HIS 106 -6.933 9.230 -40.209 832 HA HIS 106 HA HIS 106 -7.188 10.562 -42.756 833 HB2 HIS 106 2HB HIS 106 -4.985 9.694 -43.233 834 HB3 HIS 106 3HB HIS 106 -5.001 10.314 -41.584 835 HD1 HIS 106 HD1 HIS 106 -4.295 8.737 -39.779 836 HD2 HIS 106 HD2 HIS 106 -5.099 6.788 -43.359 837 HE1 HIS 106 HE1 HIS 106 -3.576 6.354 -39.423 838 H HIS 107 H HIS 107 -7.716 7.379 -41.458 839 HA HIS 107 HA HIS 107 -8.149 6.298 -44.152 840 HB2 HIS 107 2HB HIS 107 -8.115 4.093 -43.099 841 HB3 HIS 107 3HB HIS 107 -6.669 5.002 -42.670 842 HD1 HIS 107 HD1 HIS 107 -9.991 3.953 -41.193 843 HD2 HIS 107 HD2 HIS 107 -6.255 5.309 -39.983 844 HE1 HIS 107 HE1 HIS 107 -9.981 3.749 -38.687 845 H HIS 108 H HIS 108 -10.059 4.996 -44.549 846 HA HIS 108 HA HIS 108 -12.362 5.843 -42.916 847 HB2 HIS 108 2HB HIS 108 -11.960 5.802 -45.866 848 HB3 HIS 108 3HB HIS 108 -13.561 5.390 -45.257 849 HD1 HIS 108 HD1 HIS 108 -14.658 7.289 -43.649 850 HD2 HIS 108 HD2 HIS 108 -11.485 8.471 -46.057 851 HE1 HIS 108 HE1 HIS 108 -14.776 9.799 -43.732 852 H HIS 109 H HIS 109 -14.180 4.366 -42.879 853 HA HIS 109 HA HIS 109 -13.281 1.609 -42.754 854 HB2 HIS 109 2HB HIS 109 -15.963 2.802 -42.021 855 HB3 HIS 109 3HB HIS 109 -15.411 1.174 -41.637 856 HD1 HIS 109 HD1 HIS 109 -13.121 1.179 -40.079 857 HD2 HIS 109 HD2 HIS 109 -15.510 4.578 -40.035 858 HE1 HIS 109 HE1 HIS 109 -12.480 2.424 -37.990 859 H HIS 110 H HIS 110 -13.113 1.970 -45.273 860 HA HIS 110 HA HIS 110 -15.208 0.382 -46.418 861 HB2 HIS 110 2HB HIS 110 -16.036 2.820 -46.474 862 HB3 HIS 110 3HB HIS 110 -14.799 3.074 -47.702 863 HD1 HIS 110 HD1 HIS 110 -15.030 0.993 -49.668 864 HD2 HIS 110 HD2 HIS 110 -18.406 2.321 -47.643 865 HE1 HIS 110 HE1 HIS 110 -16.981 0.337 -51.112 866 H HIS 111 H HIS 111 -14.131 -1.037 -47.604 867 HA HIS 111 HA HIS 111 -11.460 -0.805 -48.367 868 HB2 HIS 111 2HB HIS 111 -13.696 -2.594 -49.289 869 HB3 HIS 111 3HB HIS 111 -12.090 -2.705 -50.003 870 HD1 HIS 111 HD1 HIS 111 -14.070 -3.892 -47.202 871 HD2 HIS 111 HD2 HIS 111 -10.031 -3.347 -48.007 872 HE1 HIS 111 HE1 HIS 111 -12.851 -5.263 -45.483 Start of MODEL 11 1 H1 ASP 1 H ASP 1 21.404 -26.283 -7.492 2 HA ASP 1 HA ASP 1 19.614 -27.538 -6.332 3 HB2 ASP 1 2HB ASP 1 21.160 -25.489 -4.752 4 HB3 ASP 1 3HB ASP 1 20.113 -26.672 -3.972 5 H LEU 2 H LEU 2 18.326 -25.350 -7.763 6 HA LEU 2 HA LEU 2 16.359 -24.551 -5.718 7 HB2 LEU 2 2HB LEU 2 17.862 -22.786 -6.966 8 HB3 LEU 2 3HB LEU 2 16.675 -23.012 -8.249 9 HG LEU 2 HG LEU 2 16.097 -21.073 -6.943 10 HD11 LEU 2 1HD1 LEU 2 14.365 -22.909 -7.693 11 HD12 LEU 2 2HD1 LEU 2 13.866 -21.512 -6.741 12 HD13 LEU 2 3HD1 LEU 2 14.127 -23.067 -5.953 13 HD21 LEU 2 3HD2 LEU 2 15.299 -21.849 -4.473 14 HD22 LEU 2 1HD2 LEU 2 16.860 -21.111 -4.830 15 HD23 LEU 2 2HD2 LEU 2 16.724 -22.864 -4.701 16 H THR 3 H THR 3 14.518 -25.615 -5.954 17 HA THR 3 HA THR 3 13.513 -26.115 -8.673 18 HB THR 3 HB THR 3 13.160 -28.100 -6.430 19 HG1 THR 3 HG1 THR 3 15.155 -27.985 -8.458 20 HG21 THR 3 3HG2 THR 3 11.513 -28.437 -8.073 21 HG22 THR 3 1HG2 THR 3 12.776 -29.603 -8.467 22 HG23 THR 3 2HG2 THR 3 12.637 -28.107 -9.391 23 H VAL 4 H VAL 4 11.270 -26.073 -8.922 24 HA VAL 4 HA VAL 4 9.809 -24.907 -6.642 25 HB VAL 4 HB VAL 4 8.309 -23.869 -8.292 26 HG11 VAL 4 1HG1 VAL 4 10.726 -22.990 -7.514 27 HG12 VAL 4 2HG1 VAL 4 10.953 -22.990 -9.264 28 HG13 VAL 4 3HG1 VAL 4 9.638 -22.059 -8.544 29 HG21 VAL 4 3HG2 VAL 4 9.721 -23.949 -10.674 30 HG22 VAL 4 1HG2 VAL 4 9.752 -25.616 -10.099 31 HG23 VAL 4 2HG2 VAL 4 8.211 -24.788 -10.322 32 H ARG 5 H ARG 5 7.930 -25.806 -5.979 33 HA ARG 5 HA ARG 5 7.014 -28.201 -7.432 34 HB2 ARG 5 2HB ARG 5 8.001 -28.599 -5.164 35 HB3 ARG 5 3HB ARG 5 6.702 -27.630 -4.482 36 HG2 ARG 5 2HG ARG 5 5.157 -29.310 -5.727 37 HG3 ARG 5 3HG ARG 5 6.591 -30.338 -5.724 38 HD2 ARG 5 2HD ARG 5 5.530 -29.034 -3.231 39 HD3 ARG 5 3HD ARG 5 4.971 -30.612 -3.783 40 HE ARG 5 HE ARG 5 7.788 -30.584 -3.658 41 HH11 ARG 5 1HH1 ARG 5 4.978 -30.623 -1.603 42 HH12 ARG 5 2HH1 ARG 5 5.781 -31.436 -0.301 43 HH21 ARG 5 1HH2 ARG 5 8.856 -31.655 -1.951 44 HH22 ARG 5 2HH2 ARG 5 7.987 -32.022 -0.499 45 H GLN 6 H GLN 6 5.674 -26.749 -8.716 46 HA GLN 6 HA GLN 6 3.164 -26.121 -7.323 47 HB2 GLN 6 2HB GLN 6 4.626 -24.385 -9.313 48 HB3 GLN 6 3HB GLN 6 2.942 -24.138 -8.871 49 HG2 GLN 6 2HG GLN 6 3.730 -23.955 -6.479 50 HG3 GLN 6 3HG GLN 6 5.369 -23.886 -7.124 51 HE21 GLN 6 1HE2 GLN 6 6.139 -21.932 -7.418 52 HE22 GLN 6 2HE2 GLN 6 5.216 -20.503 -7.723 53 H LYS 7 H LYS 7 1.269 -26.234 -8.616 54 HA LYS 7 HA LYS 7 1.620 -27.815 -11.079 55 HB2 LYS 7 2HB LYS 7 -0.747 -27.892 -9.203 56 HB3 LYS 7 3HB LYS 7 -0.462 -28.939 -10.587 57 HG2 LYS 7 2HG LYS 7 1.759 -29.463 -9.206 58 HG3 LYS 7 3HG LYS 7 0.694 -29.023 -7.869 59 HD2 LYS 7 2HD LYS 7 -0.796 -30.761 -8.329 60 HD3 LYS 7 3HD LYS 7 -0.189 -30.970 -9.974 61 HE2 LYS 7 2HE LYS 7 1.854 -31.927 -9.159 62 HE3 LYS 7 3HE LYS 7 1.420 -31.552 -7.492 63 HZ1 LYS 7 3HZ LYS 7 -0.653 -33.063 -8.561 64 HZ2 LYS 7 1HZ LYS 7 0.458 -33.526 -7.371 65 HZ3 LYS 7 2HZ LYS 7 0.783 -33.841 -9.001 66 H GLY 8 H GLY 8 1.232 -26.585 -12.801 67 HA2 GLY 8 2HA GLY 8 -0.886 -25.668 -13.928 68 HA3 GLY 8 3HA GLY 8 -0.849 -24.508 -12.608 69 H ASN 9 H ASN 9 1.837 -23.933 -12.442 70 HA ASN 9 HA ASN 9 3.336 -22.443 -13.293 71 HB2 ASN 9 2HB ASN 9 2.891 -24.056 -15.816 72 HB3 ASN 9 3HB ASN 9 4.266 -23.003 -15.496 73 HD21 ASN 9 1HD2 ASN 9 4.617 -25.635 -16.160 74 HD22 ASN 9 2HD2 ASN 9 5.226 -26.501 -14.794 75 H LYS 10 H LYS 10 0.649 -21.561 -13.296 76 HA LYS 10 HA LYS 10 0.761 -19.660 -15.533 77 HB2 LYS 10 2HB LYS 10 -0.930 -21.454 -15.978 78 HB3 LYS 10 3HB LYS 10 -1.787 -20.939 -14.531 79 HG2 LYS 10 2HG LYS 10 -2.923 -19.536 -15.812 80 HG3 LYS 10 3HG LYS 10 -1.433 -18.609 -16.004 81 HD2 LYS 10 2HD LYS 10 -2.197 -19.040 -18.193 82 HD3 LYS 10 3HD LYS 10 -0.877 -20.179 -17.921 83 HE2 LYS 10 2HE LYS 10 -2.762 -21.787 -17.154 84 HE3 LYS 10 3HE LYS 10 -3.826 -20.684 -18.025 85 HZ1 LYS 10 3HZ LYS 10 -3.029 -22.589 -19.365 86 HZ2 LYS 10 1HZ LYS 10 -1.452 -21.993 -19.231 87 HZ3 LYS 10 2HZ LYS 10 -2.633 -21.086 -20.033 88 H VAL 11 H VAL 11 1.830 -18.669 -13.471 89 HA VAL 11 HA VAL 11 -0.197 -17.446 -11.739 90 HB VAL 11 HB VAL 11 1.768 -18.545 -10.672 91 HG11 VAL 11 1HG1 VAL 11 3.671 -16.452 -11.040 92 HG12 VAL 11 2HG1 VAL 11 3.832 -18.173 -11.398 93 HG13 VAL 11 3HG1 VAL 11 3.190 -17.072 -12.618 94 HG21 VAL 11 3HG2 VAL 11 0.439 -16.438 -9.826 95 HG22 VAL 11 1HG2 VAL 11 1.863 -17.019 -8.961 96 HG23 VAL 11 2HG2 VAL 11 1.995 -15.639 -10.051 97 H ILE 12 H ILE 12 -0.031 -15.151 -11.257 98 HA ILE 12 HA ILE 12 0.091 -12.951 -11.829 99 HB ILE 12 HB ILE 12 2.298 -13.629 -13.759 100 HG12 ILE 12 2HG1 ILE 12 2.510 -13.238 -10.765 101 HG13 ILE 12 3HG1 ILE 12 2.809 -14.738 -11.637 102 HG21 ILE 12 1HG2 ILE 12 2.464 -11.237 -12.081 103 HG22 ILE 12 2HG2 ILE 12 2.718 -11.429 -13.815 104 HG23 ILE 12 3HG2 ILE 12 1.083 -11.258 -13.177 105 HD11 ILE 12 3HD1 ILE 12 4.449 -12.243 -11.560 106 HD12 ILE 12 1HD1 ILE 12 4.930 -13.909 -11.237 107 HD13 ILE 12 2HD1 ILE 12 4.604 -13.389 -12.891 108 H LYS 13 H LYS 13 -1.549 -12.167 -12.959 109 HA LYS 13 HA LYS 13 -1.531 -12.125 -15.809 110 HB2 LYS 13 2HB LYS 13 -3.830 -13.283 -15.955 111 HB3 LYS 13 3HB LYS 13 -2.398 -14.295 -15.823 112 HG2 LYS 13 2HG LYS 13 -2.810 -14.569 -13.430 113 HG3 LYS 13 3HG LYS 13 -4.248 -13.554 -13.564 114 HD2 LYS 13 2HD LYS 13 -3.859 -16.090 -15.143 115 HD3 LYS 13 3HD LYS 13 -4.663 -16.041 -13.572 116 HE2 LYS 13 2HE LYS 13 -6.326 -14.499 -14.454 117 HE3 LYS 13 3HE LYS 13 -5.504 -14.481 -16.014 118 HZ1 LYS 13 3HZ LYS 13 -7.084 -16.042 -16.418 119 HZ2 LYS 13 1HZ LYS 13 -7.167 -16.564 -14.811 120 HZ3 LYS 13 2HZ LYS 13 -5.884 -17.060 -15.796 121 HA PRO 14 HA PRO 14 -4.022 -8.577 -15.126 122 HB2 PRO 14 2HB PRO 14 -5.491 -8.480 -17.407 123 HB3 PRO 14 3HB PRO 14 -3.766 -8.099 -17.358 124 HG2 PRO 14 2HG PRO 14 -5.122 -10.634 -18.192 125 HG3 PRO 14 3HG PRO 14 -3.762 -9.790 -18.955 126 HD2 PRO 14 2HD PRO 14 -3.426 -11.957 -17.367 127 HD3 PRO 14 3HD PRO 14 -2.229 -10.649 -17.463 128 H ASP 15 H ASP 15 -5.771 -8.223 -13.917 129 HA ASP 15 HA ASP 15 -7.963 -10.178 -14.015 130 HB2 ASP 15 2HB ASP 15 -6.533 -9.159 -11.860 131 HB3 ASP 15 3HB ASP 15 -8.060 -8.282 -11.807 132 H GLU 16 H GLU 16 -10.106 -9.520 -14.163 133 HA GLU 16 HA GLU 16 -10.490 -6.978 -15.504 134 HB2 GLU 16 2HB GLU 16 -12.426 -9.225 -14.918 135 HB3 GLU 16 3HB GLU 16 -12.796 -7.803 -15.883 136 HG2 GLU 16 2HG GLU 16 -10.481 -9.522 -16.634 137 HG3 GLU 16 3HG GLU 16 -12.120 -10.038 -17.029 138 H THR 17 H THR 17 -11.145 -8.440 -12.420 139 HA THR 17 HA THR 17 -13.186 -6.810 -11.463 140 HB THR 17 HB THR 17 -12.306 -7.308 -9.189 141 HG1 THR 17 HG1 THR 17 -10.362 -8.211 -8.934 142 HG21 THR 17 3HG2 THR 17 -12.565 -9.750 -9.334 143 HG22 THR 17 1HG2 THR 17 -12.388 -9.659 -11.086 144 HG23 THR 17 2HG2 THR 17 -13.776 -8.907 -10.299 145 H ARG 18 H ARG 18 -9.827 -6.122 -11.973 146 HA ARG 18 HA ARG 18 -9.474 -3.965 -10.227 147 HB2 ARG 18 2HB ARG 18 -8.232 -4.543 -12.919 148 HB3 ARG 18 3HB ARG 18 -7.702 -3.241 -11.862 149 HG2 ARG 18 2HG ARG 18 -7.837 -5.917 -10.638 150 HG3 ARG 18 3HG ARG 18 -6.606 -5.689 -11.882 151 HD2 ARG 18 2HD ARG 18 -6.220 -3.445 -10.478 152 HD3 ARG 18 3HD ARG 18 -6.845 -4.477 -9.192 153 HE ARG 18 HE ARG 18 -4.763 -5.715 -10.729 154 HH11 ARG 18 1HH1 ARG 18 -5.454 -3.581 -8.067 155 HH12 ARG 18 2HH1 ARG 18 -3.946 -3.877 -7.268 156 HH21 ARG 18 1HH2 ARG 18 -2.774 -6.113 -9.687 157 HH22 ARG 18 2HH2 ARG 18 -2.421 -5.317 -8.191 158 H VAL 19 H VAL 19 -8.850 -1.708 -11.439 159 HA VAL 19 HA VAL 19 -11.410 -0.636 -12.210 160 HB VAL 19 HB VAL 19 -8.758 0.803 -12.145 161 HG11 VAL 19 1HG1 VAL 19 -10.577 2.645 -11.478 162 HG12 VAL 19 2HG1 VAL 19 -10.109 2.323 -13.149 163 HG13 VAL 19 3HG1 VAL 19 -11.582 1.611 -12.491 164 HG21 VAL 19 3HG2 VAL 19 -10.782 0.476 -9.931 165 HG22 VAL 19 1HG2 VAL 19 -9.185 -0.269 -9.990 166 HG23 VAL 19 2HG2 VAL 19 -9.337 1.484 -9.870 167 H LYS 20 H LYS 20 -12.106 -0.128 -14.197 168 HA LYS 20 HA LYS 20 -10.184 -0.314 -16.423 169 HB2 LYS 20 2HB LYS 20 -12.210 -1.090 -17.779 170 HB3 LYS 20 3HB LYS 20 -11.513 -2.242 -16.647 171 HG2 LYS 20 2HG LYS 20 -13.692 -0.557 -15.598 172 HG3 LYS 20 3HG LYS 20 -14.139 -1.738 -16.833 173 HD2 LYS 20 2HD LYS 20 -12.403 -2.625 -14.582 174 HD3 LYS 20 3HD LYS 20 -14.120 -2.365 -14.267 175 HE2 LYS 20 2HE LYS 20 -14.051 -4.602 -14.860 176 HE3 LYS 20 3HE LYS 20 -14.477 -3.818 -16.381 177 HZ1 LYS 20 3HZ LYS 20 -12.438 -5.559 -16.040 178 HZ2 LYS 20 1HZ LYS 20 -11.642 -4.068 -15.968 179 HZ3 LYS 20 2HZ LYS 20 -12.576 -4.462 -17.321 180 H GLN 21 H GLN 21 -10.023 2.042 -15.990 181 HA GLN 21 HA GLN 21 -12.106 3.853 -16.249 182 HB2 GLN 21 2HB GLN 21 -9.165 3.984 -16.739 183 HB3 GLN 21 3HB GLN 21 -10.164 5.327 -17.276 184 HG2 GLN 21 2HG GLN 21 -10.238 4.277 -14.465 185 HG3 GLN 21 3HG GLN 21 -9.119 5.535 -14.990 186 HE21 GLN 21 1HE2 GLN 21 -12.319 4.782 -14.058 187 HE22 GLN 21 2HE2 GLN 21 -12.976 6.375 -14.186 188 H PHE 22 H PHE 22 -12.216 5.477 -18.156 189 HA PHE 22 HA PHE 22 -13.249 4.102 -20.385 190 HB2 PHE 22 2HB PHE 22 -14.151 6.248 -19.894 191 HB3 PHE 22 3HB PHE 22 -12.561 7.003 -19.928 192 HD1 PHE 22 HD2 PHE 22 -14.397 4.775 -22.294 193 HD2 PHE 22 HD1 PHE 22 -12.415 8.489 -21.665 194 HE1 PHE 22 HE2 PHE 22 -14.725 5.347 -24.664 195 HE2 PHE 22 HE1 PHE 22 -12.740 9.068 -24.034 196 HZ PHE 22 HZ PHE 22 -13.896 7.496 -25.537 197 H LEU 23 H LEU 23 -10.178 5.754 -19.835 198 HA LEU 23 HA LEU 23 -9.264 5.284 -22.532 199 HB2 LEU 23 2HB LEU 23 -7.714 6.223 -20.124 200 HB3 LEU 23 3HB LEU 23 -7.194 6.311 -21.806 201 HG LEU 23 HG LEU 23 -7.843 8.481 -21.388 202 HD11 LEU 23 1HD1 LEU 23 -10.404 7.193 -22.320 203 HD12 LEU 23 2HD1 LEU 23 -9.025 7.583 -23.347 204 HD13 LEU 23 3HD1 LEU 23 -9.926 8.875 -22.555 205 HD21 LEU 23 3HD2 LEU 23 -9.198 9.164 -19.730 206 HD22 LEU 23 1HD2 LEU 23 -9.046 7.499 -19.168 207 HD23 LEU 23 2HD2 LEU 23 -10.448 7.983 -20.123 208 H GLU 24 H GLU 24 -9.437 3.469 -19.705 209 HA GLU 24 HA GLU 24 -7.060 1.883 -20.228 210 HB2 GLU 24 2HB GLU 24 -9.079 2.054 -18.056 211 HB3 GLU 24 3HB GLU 24 -8.304 0.495 -18.300 212 HG2 GLU 24 2HG GLU 24 -6.099 1.648 -18.121 213 HG3 GLU 24 3HG GLU 24 -6.969 3.115 -17.674 214 H GLY 25 H GLY 25 -9.777 2.066 -21.838 215 HA2 GLY 25 2HA GLY 25 -10.195 -0.848 -22.050 216 HA3 GLY 25 3HA GLY 25 -11.382 0.370 -22.496 217 H PHE 26 H PHE 26 -8.412 1.437 -23.500 218 HA PHE 26 HA PHE 26 -8.701 0.170 -26.142 219 HB2 PHE 26 2HB PHE 26 -7.875 3.043 -25.724 220 HB3 PHE 26 3HB PHE 26 -8.283 2.249 -27.241 221 HD1 PHE 26 HD2 PHE 26 -10.707 1.316 -27.413 222 HD2 PHE 26 HD1 PHE 26 -9.473 4.288 -24.628 223 HE1 PHE 26 HE2 PHE 26 -13.042 2.054 -27.171 224 HE2 PHE 26 HE1 PHE 26 -11.806 5.030 -24.380 225 HZ PHE 26 HZ PHE 26 -13.594 3.913 -25.653 226 H ASN 27 H ASN 27 -6.628 0.798 -27.507 227 HA ASN 27 HA ASN 27 -4.423 -0.398 -26.127 228 HB2 ASN 27 2HB ASN 27 -4.899 0.591 -28.916 229 HB3 ASN 27 3HB ASN 27 -3.258 0.226 -28.392 230 HD21 ASN 27 1HD2 ASN 27 -5.447 -1.019 -30.211 231 HD22 ASN 27 2HD2 ASN 27 -5.347 -2.700 -29.823 232 H ILE 28 H ILE 28 -2.185 0.597 -26.353 233 HA ILE 28 HA ILE 28 -2.279 3.246 -25.175 234 HB ILE 28 HB ILE 28 -0.830 1.440 -24.238 235 HG12 ILE 28 2HG1 ILE 28 1.162 2.904 -23.926 236 HG13 ILE 28 3HG1 ILE 28 0.550 3.956 -25.198 237 HG21 ILE 28 1HG2 ILE 28 1.230 1.915 -26.298 238 HG22 ILE 28 2HG2 ILE 28 0.857 0.458 -25.378 239 HG23 ILE 28 3HG2 ILE 28 -0.131 0.897 -26.771 240 HD11 ILE 28 3HD1 ILE 28 -0.570 5.078 -23.664 241 HD12 ILE 28 1HD1 ILE 28 -1.543 3.640 -23.356 242 HD13 ILE 28 2HD1 ILE 28 -0.078 3.933 -22.418 243 H GLU 29 H GLU 29 -1.303 1.725 -28.162 244 HA GLU 29 HA GLU 29 0.265 3.849 -29.181 245 HB2 GLU 29 2HB GLU 29 0.084 2.741 -31.318 246 HB3 GLU 29 3HB GLU 29 0.315 1.531 -30.064 247 HG2 GLU 29 2HG GLU 29 -2.024 0.963 -30.114 248 HG3 GLU 29 3HG GLU 29 -2.347 2.261 -31.262 249 H THR 30 H THR 30 -3.164 3.218 -29.111 250 HA THR 30 HA THR 30 -4.023 4.955 -31.128 251 HB THR 30 HB THR 30 -6.189 5.007 -29.962 252 HG1 THR 30 HG1 THR 30 -6.400 4.200 -27.922 253 HG21 THR 30 3HG2 THR 30 -4.711 2.530 -30.542 254 HG22 THR 30 1HG2 THR 30 -6.276 3.083 -31.138 255 HG23 THR 30 2HG2 THR 30 -6.154 2.323 -29.551 256 H PHE 31 H PHE 31 -2.759 5.598 -27.985 257 HA PHE 31 HA PHE 31 -3.790 8.317 -27.923 258 HB2 PHE 31 2HB PHE 31 -1.829 7.072 -25.996 259 HB3 PHE 31 3HB PHE 31 -2.866 8.470 -25.730 260 HD1 PHE 31 HD2 PHE 31 -5.420 7.370 -26.840 261 HD2 PHE 31 HD1 PHE 31 -2.499 5.655 -24.263 262 HE1 PHE 31 HE2 PHE 31 -7.142 5.906 -25.869 263 HE2 PHE 31 HE1 PHE 31 -4.217 4.188 -23.287 264 HZ PHE 31 HZ PHE 31 -6.542 4.313 -24.089 265 H GLU 32 H GLU 32 -2.511 10.173 -28.009 266 HA GLU 32 HA GLU 32 0.284 9.831 -28.827 267 HB2 GLU 32 2HB GLU 32 -1.829 11.381 -30.322 268 HB3 GLU 32 3HB GLU 32 -0.107 11.636 -30.566 269 HG2 GLU 32 2HG GLU 32 -0.881 8.838 -30.748 270 HG3 GLU 32 3HG GLU 32 -1.686 9.864 -31.934 271 H MET 33 H MET 33 1.571 11.091 -27.667 272 HA MET 33 HA MET 33 0.747 12.820 -25.681 273 HB2 MET 33 2HB MET 33 3.087 11.805 -26.191 274 HB3 MET 33 3HB MET 33 3.341 13.276 -27.121 275 HG2 MET 33 2HG MET 33 2.488 14.383 -24.864 276 HG3 MET 33 3HG MET 33 3.135 12.887 -24.196 277 HE1 MET 33 3HE MET 33 5.760 15.866 -23.597 278 HE2 MET 33 1HE MET 33 4.155 16.333 -24.159 279 HE3 MET 33 2HE MET 33 4.328 15.079 -22.931 280 H VAL 34 H VAL 34 -0.220 14.730 -25.728 281 HA VAL 34 HA VAL 34 -0.045 16.350 -28.171 282 HB VAL 34 HB VAL 34 -2.311 15.761 -27.454 283 HG11 VAL 34 1HG1 VAL 34 -1.473 17.106 -24.901 284 HG12 VAL 34 2HG1 VAL 34 -3.169 16.909 -25.349 285 HG13 VAL 34 3HG1 VAL 34 -2.144 15.491 -25.124 286 HG21 VAL 34 3HG2 VAL 34 -3.275 17.905 -27.684 287 HG22 VAL 34 1HG2 VAL 34 -1.884 18.692 -26.937 288 HG23 VAL 34 2HG2 VAL 34 -1.736 17.978 -28.543 289 H GLY 35 H GLY 35 0.811 16.296 -24.823 290 HA2 GLY 35 2HA GLY 35 2.655 18.336 -24.928 291 HA3 GLY 35 3HA GLY 35 1.142 19.115 -24.488 292 H THR 36 H THR 36 2.487 19.642 -22.551 293 HA THR 36 HA THR 36 1.885 17.724 -20.456 294 HB THR 36 HB THR 36 4.338 18.287 -19.568 295 HG1 THR 36 HG1 THR 36 5.642 17.908 -21.653 296 HG21 THR 36 3HG2 THR 36 4.807 16.126 -21.294 297 HG22 THR 36 1HG2 THR 36 3.087 16.070 -20.912 298 HG23 THR 36 2HG2 THR 36 4.279 16.059 -19.613 299 H LEU 37 H LEU 37 1.940 18.637 -18.336 300 HA LEU 37 HA LEU 37 1.931 21.584 -18.331 301 HB2 LEU 37 2HB LEU 37 -0.299 20.492 -18.065 302 HB3 LEU 37 3HB LEU 37 0.293 19.771 -16.570 303 HG LEU 37 HG LEU 37 -1.173 21.841 -16.370 304 HD11 LEU 37 1HD1 LEU 37 1.014 20.925 -14.878 305 HD12 LEU 37 2HD1 LEU 37 -0.323 21.933 -14.325 306 HD13 LEU 37 3HD1 LEU 37 1.156 22.683 -14.924 307 HD21 LEU 37 3HD2 LEU 37 1.223 23.513 -16.766 308 HD22 LEU 37 1HD2 LEU 37 -0.477 23.869 -17.071 309 HD23 LEU 37 2HD2 LEU 37 0.445 22.913 -18.232 310 H SER 38 H SER 38 2.964 22.645 -16.694 311 HA SER 38 HA SER 38 4.150 21.068 -14.531 312 HB2 SER 38 2HB SER 38 6.325 21.531 -15.041 313 HB3 SER 38 3HB SER 38 5.681 21.628 -16.680 314 HG SER 38 HG SER 38 5.388 23.932 -16.220 315 H ASN 39 H ASN 39 3.801 22.019 -12.643 316 HA ASN 39 HA ASN 39 4.074 24.843 -12.265 317 HB2 ASN 39 2HB ASN 39 1.763 25.257 -11.504 318 HB3 ASN 39 3HB ASN 39 1.823 24.827 -13.211 319 HD21 ASN 39 1HD2 ASN 39 -0.543 24.596 -12.150 320 HD22 ASN 39 2HD2 ASN 39 -0.962 22.953 -11.816 321 H ALA 40 H ALA 40 2.899 25.278 -9.910 322 HA ALA 40 HA ALA 40 4.540 24.092 -8.034 323 HB1 ALA 40 1HB ALA 40 3.301 26.160 -7.634 324 HB2 ALA 40 2HB ALA 40 1.794 25.246 -7.561 325 HB3 ALA 40 3HB ALA 40 3.039 24.993 -6.338 326 H GLN 41 H GLN 41 1.424 23.023 -9.237 327 HA GLN 41 HA GLN 41 0.910 21.068 -7.266 328 HB2 GLN 41 2HB GLN 41 -0.015 21.272 -10.134 329 HB3 GLN 41 3HB GLN 41 -0.634 20.098 -8.981 330 HG2 GLN 41 2HG GLN 41 -1.369 21.977 -7.541 331 HG3 GLN 41 3HG GLN 41 -0.862 23.092 -8.809 332 HE21 GLN 41 1HE2 GLN 41 -3.097 23.782 -8.754 333 HE22 GLN 41 2HE2 GLN 41 -4.278 22.901 -9.656 334 H GLY 42 H GLY 42 2.781 21.042 -10.232 335 HA2 GLY 42 2HA GLY 42 4.665 19.285 -9.840 336 HA3 GLY 42 3HA GLY 42 3.307 18.171 -9.911 337 H THR 43 H THR 43 4.518 17.235 -11.713 338 HA THR 43 HA THR 43 4.171 18.768 -14.207 339 HB THR 43 HB THR 43 6.013 16.404 -13.902 340 HG1 THR 43 HG1 THR 43 6.711 17.989 -12.428 341 HG21 THR 43 3HG2 THR 43 5.294 17.246 -16.175 342 HG22 THR 43 1HG2 THR 43 7.034 17.210 -15.892 343 HG23 THR 43 2HG2 THR 43 6.157 18.738 -15.804 344 H PHE 44 H PHE 44 2.284 18.158 -15.078 345 HA PHE 44 HA PHE 44 1.529 15.328 -15.020 346 HB2 PHE 44 2HB PHE 44 -0.136 17.679 -15.934 347 HB3 PHE 44 3HB PHE 44 -0.699 16.046 -15.592 348 HD1 PHE 44 HD2 PHE 44 0.619 19.136 -14.078 349 HD2 PHE 44 HD1 PHE 44 -1.221 15.360 -13.390 350 HE1 PHE 44 HE2 PHE 44 0.160 19.788 -11.750 351 HE2 PHE 44 HE1 PHE 44 -1.684 16.006 -11.062 352 HZ PHE 44 HZ PHE 44 -0.992 18.222 -10.239 353 H ALA 45 H ALA 45 0.568 14.403 -17.001 354 HA ALA 45 HA ALA 45 1.977 15.383 -19.397 355 HB1 ALA 45 1HB ALA 45 2.879 13.353 -19.477 356 HB2 ALA 45 2HB ALA 45 1.822 12.762 -18.194 357 HB3 ALA 45 3HB ALA 45 1.275 12.734 -19.871 358 H LEU 46 H LEU 46 0.789 15.982 -21.092 359 HA LEU 46 HA LEU 46 -2.095 15.440 -21.021 360 HB2 LEU 46 2HB LEU 46 -0.690 17.427 -22.783 361 HB3 LEU 46 3HB LEU 46 -2.403 17.355 -22.372 362 HG LEU 46 HG LEU 46 -0.133 18.181 -20.566 363 HD11 LEU 46 1HD1 LEU 46 -0.737 20.316 -20.929 364 HD12 LEU 46 2HD1 LEU 46 -2.452 19.925 -21.051 365 HD13 LEU 46 3HD1 LEU 46 -1.389 19.668 -22.434 366 HD21 LEU 46 3HD2 LEU 46 -3.026 17.618 -19.999 367 HD22 LEU 46 1HD2 LEU 46 -2.089 18.741 -19.012 368 HD23 LEU 46 2HD2 LEU 46 -1.596 17.052 -19.134 369 H VAL 47 H VAL 47 -2.790 13.834 -22.252 370 HA VAL 47 HA VAL 47 -1.443 13.350 -24.830 371 HB VAL 47 HB VAL 47 -1.075 11.555 -23.095 372 HG11 VAL 47 1HG1 VAL 47 -3.784 10.494 -23.613 373 HG12 VAL 47 2HG1 VAL 47 -2.764 10.355 -22.180 374 HG13 VAL 47 3HG1 VAL 47 -3.666 11.841 -22.482 375 HG21 VAL 47 3HG2 VAL 47 -1.286 9.775 -24.660 376 HG22 VAL 47 1HG2 VAL 47 -2.588 10.600 -25.518 377 HG23 VAL 47 2HG2 VAL 47 -0.944 11.236 -25.587 378 H LYS 48 H LYS 48 -2.795 12.439 -26.515 379 HA LYS 48 HA LYS 48 -5.662 13.009 -26.164 380 HB2 LYS 48 2HB LYS 48 -4.599 14.848 -27.405 381 HB3 LYS 48 3HB LYS 48 -3.979 13.697 -28.582 382 HG2 LYS 48 2HG LYS 48 -6.909 13.766 -28.097 383 HG3 LYS 48 3HG LYS 48 -6.176 15.080 -29.020 384 HD2 LYS 48 2HD LYS 48 -5.025 13.069 -30.292 385 HD3 LYS 48 3HD LYS 48 -6.433 12.191 -29.691 386 HE2 LYS 48 2HE LYS 48 -7.923 13.520 -30.885 387 HE3 LYS 48 3HE LYS 48 -6.755 14.826 -31.078 388 HZ1 LYS 48 3HZ LYS 48 -7.057 12.360 -32.617 389 HZ2 LYS 48 1HZ LYS 48 -5.488 12.955 -32.401 390 HZ3 LYS 48 2HZ LYS 48 -6.664 13.920 -33.141 391 H GLY 49 H GLY 49 -7.067 11.577 -27.076 392 HA2 GLY 49 2HA GLY 49 -6.659 9.865 -29.197 393 HA3 GLY 49 3HA GLY 49 -6.052 9.005 -27.790 394 H ALA 50 H ALA 50 -7.928 7.640 -28.811 395 HA ALA 50 HA ALA 50 -10.041 6.789 -28.647 396 HB1 ALA 50 1HB ALA 50 -9.392 7.803 -25.924 397 HB2 ALA 50 2HB ALA 50 -11.018 7.195 -26.242 398 HB3 ALA 50 3HB ALA 50 -9.620 6.148 -26.489 399 H GLY 51 H GLY 51 -9.783 9.547 -29.670 400 HA2 GLY 51 2HA GLY 51 -11.253 11.129 -30.466 401 HA3 GLY 51 3HA GLY 51 -12.559 10.178 -29.774 402 H GLY 52 H GLY 52 -9.812 11.577 -28.044 403 HA2 GLY 52 2HA GLY 52 -11.127 13.892 -27.115 404 HA3 GLY 52 3HA GLY 52 -11.365 12.596 -25.952 405 H VAL 53 H VAL 53 -10.159 14.442 -24.749 406 HA VAL 53 HA VAL 53 -7.255 14.021 -25.021 407 HB VAL 53 HB VAL 53 -7.114 16.146 -23.603 408 HG11 VAL 53 1HG1 VAL 53 -8.293 16.458 -26.358 409 HG12 VAL 53 2HG1 VAL 53 -7.188 17.558 -25.532 410 HG13 VAL 53 3HG1 VAL 53 -6.629 15.967 -26.047 411 HG21 VAL 53 3HG2 VAL 53 -9.919 16.565 -24.617 412 HG22 VAL 53 1HG2 VAL 53 -9.547 16.051 -22.971 413 HG23 VAL 53 2HG2 VAL 53 -8.982 17.616 -23.555 414 H HIS 54 H HIS 54 -6.080 13.310 -23.312 415 HA HIS 54 HA HIS 54 -7.520 12.838 -20.785 416 HB2 HIS 54 2HB HIS 54 -5.331 10.983 -21.578 417 HB3 HIS 54 3HB HIS 54 -6.789 10.667 -20.641 418 HD1 HIS 54 HD1 HIS 54 -5.487 9.355 -23.450 419 HD2 HIS 54 HD2 HIS 54 -9.057 11.392 -22.842 420 HE1 HIS 54 HE1 HIS 54 -6.992 8.652 -25.338 421 H ARG 55 H ARG 55 -6.195 12.773 -18.872 422 HA ARG 55 HA ARG 55 -3.545 14.005 -19.159 423 HB2 ARG 55 2HB ARG 55 -4.007 15.578 -17.370 424 HB3 ARG 55 3HB ARG 55 -5.183 15.785 -18.661 425 HG2 ARG 55 2HG ARG 55 -6.766 14.379 -17.330 426 HG3 ARG 55 3HG ARG 55 -5.598 14.432 -16.008 427 HD2 ARG 55 2HD ARG 55 -5.934 16.676 -15.622 428 HD3 ARG 55 3HD ARG 55 -6.482 16.984 -17.269 429 HE ARG 55 HE ARG 55 -8.105 16.327 -15.040 430 HH11 ARG 55 1HH1 ARG 55 -7.790 15.810 -18.468 431 HH12 ARG 55 2HH1 ARG 55 -9.485 15.555 -18.718 432 HH21 ARG 55 1HH2 ARG 55 -10.339 15.993 -15.356 433 HH22 ARG 55 2HH2 ARG 55 -10.935 15.660 -16.947 434 H VAL 56 H VAL 56 -2.047 12.949 -18.040 435 HA VAL 56 HA VAL 56 -2.762 11.621 -15.537 436 HB VAL 56 HB VAL 56 -1.464 9.586 -16.229 437 HG11 VAL 56 1HG1 VAL 56 -4.065 10.026 -16.369 438 HG12 VAL 56 2HG1 VAL 56 -3.769 9.801 -18.094 439 HG13 VAL 56 3HG1 VAL 56 -3.352 8.523 -16.953 440 HG21 VAL 56 3HG2 VAL 56 -0.826 9.192 -18.417 441 HG22 VAL 56 1HG2 VAL 56 -1.939 10.396 -19.067 442 HG23 VAL 56 2HG2 VAL 56 -0.470 10.910 -18.238 443 H ARG 57 H ARG 57 -1.063 11.387 -14.092 444 HA ARG 57 HA ARG 57 1.470 12.659 -14.900 445 HB2 ARG 57 2HB ARG 57 1.623 13.287 -12.418 446 HB3 ARG 57 3HB ARG 57 0.490 14.189 -13.417 447 HG2 ARG 57 2HG ARG 57 -1.349 13.266 -12.412 448 HG3 ARG 57 3HG ARG 57 -0.490 11.797 -11.944 449 HD2 ARG 57 2HD ARG 57 0.471 12.791 -10.092 450 HD3 ARG 57 3HD ARG 57 0.303 14.418 -10.752 451 HE ARG 57 HE ARG 57 -2.262 13.464 -10.368 452 HH11 ARG 57 1HH1 ARG 57 0.539 14.134 -8.412 453 HH12 ARG 57 2HH1 ARG 57 -0.381 14.515 -6.994 454 HH21 ARG 57 1HH2 ARG 57 -3.484 13.964 -8.508 455 HH22 ARG 57 2HH2 ARG 57 -2.669 14.417 -7.050 456 H VAL 58 H VAL 58 3.196 12.117 -13.070 457 HA VAL 58 HA VAL 58 3.973 9.498 -13.382 458 HB VAL 58 HB VAL 58 4.612 11.210 -10.977 459 HG11 VAL 58 1HG1 VAL 58 6.150 8.953 -12.258 460 HG12 VAL 58 2HG1 VAL 58 6.661 9.903 -10.861 461 HG13 VAL 58 3HG1 VAL 58 5.248 8.854 -10.746 462 HG21 VAL 58 3HG2 VAL 58 5.637 11.228 -13.784 463 HG22 VAL 58 1HG2 VAL 58 5.236 12.581 -12.726 464 HG23 VAL 58 2HG2 VAL 58 6.713 11.656 -12.454 465 H GLY 59 H GLY 59 3.072 7.658 -12.746 466 HA2 GLY 59 2HA GLY 59 2.561 6.217 -10.845 467 HA3 GLY 59 3HA GLY 59 1.754 7.591 -10.105 468 H ASP 60 H ASP 60 0.520 8.342 -12.704 469 HA ASP 60 HA ASP 60 -1.907 6.926 -12.394 470 HB2 ASP 60 2HB ASP 60 -0.867 8.898 -14.401 471 HB3 ASP 60 3HB ASP 60 -2.395 8.073 -14.692 472 H TYR 61 H TYR 61 -2.967 6.118 -14.620 473 HA TYR 61 HA TYR 61 -1.096 4.325 -15.988 474 HB2 TYR 61 2HB TYR 61 -3.707 3.403 -14.770 475 HB3 TYR 61 3HB TYR 61 -2.590 2.414 -15.703 476 HD1 TYR 61 HD2 TYR 61 -2.940 4.324 -12.542 477 HD2 TYR 61 HD1 TYR 61 -0.770 1.339 -14.662 478 HE1 TYR 61 HE2 TYR 61 -1.754 3.724 -10.473 479 HE2 TYR 61 HE1 TYR 61 0.421 0.731 -12.598 480 HH TYR 61 HH TYR 61 0.033 0.902 -10.130 481 H LEU 62 H LEU 62 -1.828 3.565 -18.029 482 HA LEU 62 HA LEU 62 -4.332 4.537 -19.094 483 HB2 LEU 62 2HB LEU 62 -1.689 5.700 -19.857 484 HB3 LEU 62 3HB LEU 62 -2.966 5.570 -21.064 485 HG LEU 62 HG LEU 62 -3.130 7.110 -18.474 486 HD11 LEU 62 1HD1 LEU 62 -1.656 8.190 -20.056 487 HD12 LEU 62 2HD1 LEU 62 -3.176 9.078 -19.955 488 HD13 LEU 62 3HD1 LEU 62 -2.860 8.025 -21.334 489 HD21 LEU 62 3HD2 LEU 62 -5.302 6.281 -19.030 490 HD22 LEU 62 1HD2 LEU 62 -5.101 6.735 -20.722 491 HD23 LEU 62 2HD2 LEU 62 -5.239 7.984 -19.485 492 H GLY 63 H GLY 63 -4.838 3.649 -21.174 493 HA2 GLY 63 2HA GLY 63 -4.664 2.129 -22.917 494 HA3 GLY 63 3HA GLY 63 -3.017 1.783 -22.408 495 H ARG 64 H ARG 64 -4.627 -0.258 -23.240 496 HA ARG 64 HA ARG 64 -5.788 -1.533 -20.901 497 HB2 ARG 64 2HB ARG 64 -5.735 -2.097 -23.831 498 HB3 ARG 64 3HB ARG 64 -6.022 -3.438 -22.730 499 HG2 ARG 64 2HG ARG 64 -7.933 -2.251 -21.778 500 HG3 ARG 64 3HG ARG 64 -7.644 -0.905 -22.882 501 HD2 ARG 64 2HD ARG 64 -9.431 -2.413 -23.665 502 HD3 ARG 64 3HD ARG 64 -8.075 -2.325 -24.787 503 HE ARG 64 HE ARG 64 -8.855 -4.614 -23.162 504 HH11 ARG 64 1HH1 ARG 64 -6.576 -3.169 -25.362 505 HH12 ARG 64 2HH1 ARG 64 -5.854 -4.679 -25.811 506 HH21 ARG 64 1HH2 ARG 64 -7.913 -6.608 -23.746 507 HH22 ARG 64 2HH2 ARG 64 -6.616 -6.634 -24.892 508 H ASN 65 H ASN 65 -2.748 -1.089 -21.772 509 HA ASN 65 HA ASN 65 -1.876 -3.831 -21.156 510 HB2 ASN 65 2HB ASN 65 -0.426 -1.554 -22.518 511 HB3 ASN 65 3HB ASN 65 0.347 -3.066 -22.053 512 HD21 ASN 65 1HD2 ASN 65 -1.409 -4.957 -22.718 513 HD22 ASN 65 2HD2 ASN 65 -1.731 -4.939 -24.416 514 H ASP 66 H ASP 66 -2.719 -1.454 -19.381 515 HA ASP 66 HA ASP 66 -2.166 -0.638 -17.331 516 HB2 ASP 66 2HB ASP 66 -0.053 -2.800 -17.294 517 HB3 ASP 66 3HB ASP 66 -0.757 -1.982 -15.902 518 H GLY 67 H GLY 67 -1.218 0.927 -19.219 519 HA2 GLY 67 2HA GLY 67 1.635 1.267 -19.117 520 HA3 GLY 67 3HA GLY 67 0.481 2.346 -19.888 521 H LYS 68 H LYS 68 2.250 1.626 -16.994 522 HA LYS 68 HA LYS 68 1.017 3.745 -15.459 523 HB2 LYS 68 2HB LYS 68 1.806 1.695 -14.352 524 HB3 LYS 68 3HB LYS 68 3.450 2.049 -14.865 525 HG2 LYS 68 2HG LYS 68 3.190 4.237 -13.571 526 HG3 LYS 68 3HG LYS 68 1.770 3.484 -12.841 527 HD2 LYS 68 2HD LYS 68 4.607 2.460 -12.758 528 HD3 LYS 68 3HD LYS 68 3.688 3.140 -11.413 529 HE2 LYS 68 2HE LYS 68 2.076 1.284 -11.620 530 HE3 LYS 68 3HE LYS 68 3.064 0.594 -12.906 531 HZ1 LYS 68 3HZ LYS 68 3.827 -0.547 -11.096 532 HZ2 LYS 68 1HZ LYS 68 3.605 0.745 -10.026 533 HZ3 LYS 68 2HZ LYS 68 4.914 0.750 -11.098 534 H VAL 69 H VAL 69 1.925 5.706 -14.920 535 HA VAL 69 HA VAL 69 3.909 6.712 -16.775 536 HB VAL 69 HB VAL 69 2.521 8.192 -14.539 537 HG11 VAL 69 1HG1 VAL 69 4.687 8.967 -15.993 538 HG12 VAL 69 2HG1 VAL 69 3.361 9.617 -16.959 539 HG13 VAL 69 3HG1 VAL 69 3.520 10.067 -15.261 540 HG21 VAL 69 3HG2 VAL 69 0.732 7.534 -15.845 541 HG22 VAL 69 1HG2 VAL 69 1.171 9.073 -16.584 542 HG23 VAL 69 2HG2 VAL 69 1.674 7.559 -17.335 543 H VAL 70 H VAL 70 6.009 6.914 -16.365 544 HA VAL 70 HA VAL 70 6.905 6.830 -13.557 545 HB VAL 70 HB VAL 70 8.901 5.645 -14.242 546 HG11 VAL 70 1HG1 VAL 70 6.300 4.433 -15.134 547 HG12 VAL 70 2HG1 VAL 70 7.810 3.521 -15.117 548 HG13 VAL 70 3HG1 VAL 70 7.163 4.186 -13.617 549 HG21 VAL 70 3HG2 VAL 70 9.135 4.805 -16.561 550 HG22 VAL 70 1HG2 VAL 70 7.743 5.784 -17.023 551 HG23 VAL 70 2HG2 VAL 70 9.218 6.563 -16.451 552 H GLY 71 H GLY 71 7.325 8.204 -16.750 553 HA2 GLY 71 2HA GLY 71 8.940 10.344 -15.532 554 HA3 GLY 71 3HA GLY 71 9.492 9.575 -17.012 555 H ILE 72 H ILE 72 8.594 12.377 -16.307 556 HA ILE 72 HA ILE 72 6.790 12.682 -18.603 557 HB ILE 72 HB ILE 72 6.450 14.078 -15.946 558 HG12 ILE 72 2HG1 ILE 72 4.508 12.288 -17.412 559 HG13 ILE 72 3HG1 ILE 72 5.608 11.699 -16.171 560 HG21 ILE 72 1HG2 ILE 72 4.330 14.915 -17.210 561 HG22 ILE 72 2HG2 ILE 72 5.875 15.731 -17.444 562 HG23 ILE 72 3HG2 ILE 72 5.293 14.584 -18.650 563 HD11 ILE 72 3HD1 ILE 72 3.371 12.113 -15.295 564 HD12 ILE 72 1HD1 ILE 72 4.572 13.157 -14.535 565 HD13 ILE 72 2HD1 ILE 72 3.498 13.805 -15.775 566 H SER 73 H SER 73 8.052 13.701 -20.028 567 HA SER 73 HA SER 73 9.730 15.926 -19.086 568 HB2 SER 73 2HB SER 73 9.991 14.726 -21.822 569 HB3 SER 73 3HB SER 73 11.220 15.501 -20.821 570 HG SER 73 HG SER 73 10.032 13.119 -19.937 571 H GLU 74 H GLU 74 10.134 17.296 -21.406 572 HA GLU 74 HA GLU 74 7.529 18.555 -21.783 573 HB2 GLU 74 2HB GLU 74 8.726 20.451 -22.634 574 HB3 GLU 74 3HB GLU 74 9.536 19.912 -21.170 575 HG2 GLU 74 2HG GLU 74 11.047 18.581 -22.803 576 HG3 GLU 74 3HG GLU 74 10.430 19.709 -24.009 577 H GLY 75 H GLY 75 9.786 16.566 -23.459 578 HA2 GLY 75 2HA GLY 75 8.139 16.821 -25.897 579 HA3 GLY 75 3HA GLY 75 9.892 16.726 -25.984 580 H LYS 76 H LYS 76 8.567 14.838 -23.499 581 HA LYS 76 HA LYS 76 7.889 12.508 -24.965 582 HB2 LYS 76 2HB LYS 76 9.855 11.128 -24.320 583 HB3 LYS 76 3HB LYS 76 10.242 12.392 -25.479 584 HG2 LYS 76 2HG LYS 76 10.607 12.946 -22.578 585 HG3 LYS 76 3HG LYS 76 11.784 11.930 -23.414 586 HD2 LYS 76 2HD LYS 76 11.590 13.955 -25.174 587 HD3 LYS 76 3HD LYS 76 11.237 14.823 -23.678 588 HE2 LYS 76 2HE LYS 76 13.316 13.837 -22.708 589 HE3 LYS 76 3HE LYS 76 13.683 13.174 -24.299 590 HZ1 LYS 76 3HZ LYS 76 13.922 15.887 -23.332 591 HZ2 LYS 76 1HZ LYS 76 13.232 15.753 -24.871 592 HZ3 LYS 76 2HZ LYS 76 14.763 15.101 -24.571 593 H ILE 77 H ILE 77 7.225 10.786 -23.623 594 HA ILE 77 HA ILE 77 7.237 11.353 -20.736 595 HB ILE 77 HB ILE 77 4.837 10.237 -22.179 596 HG12 ILE 77 2HG1 ILE 77 5.274 12.546 -22.936 597 HG13 ILE 77 3HG1 ILE 77 3.808 12.442 -21.968 598 HG21 ILE 77 1HG2 ILE 77 5.108 9.703 -19.777 599 HG22 ILE 77 2HG2 ILE 77 5.109 11.430 -19.424 600 HG23 ILE 77 3HG2 ILE 77 3.674 10.672 -20.114 601 HD11 ILE 77 3HD1 ILE 77 5.708 14.307 -21.629 602 HD12 ILE 77 1HD1 ILE 77 4.637 13.749 -20.344 603 HD13 ILE 77 2HD1 ILE 77 6.264 13.083 -20.487 604 H ASP 78 H ASP 78 8.153 9.736 -19.678 605 HA ASP 78 HA ASP 78 8.437 7.133 -20.914 606 HB2 ASP 78 2HB ASP 78 9.337 7.884 -18.138 607 HB3 ASP 78 3HB ASP 78 9.991 6.639 -19.199 608 H VAL 79 H VAL 79 7.249 5.382 -20.492 609 HA VAL 79 HA VAL 79 5.745 5.185 -18.005 610 HB VAL 79 HB VAL 79 3.624 4.773 -19.034 611 HG11 VAL 79 1HG1 VAL 79 3.062 6.938 -19.789 612 HG12 VAL 79 2HG1 VAL 79 4.407 7.156 -18.668 613 HG13 VAL 79 3HG1 VAL 79 4.687 7.228 -20.408 614 HG21 VAL 79 3HG2 VAL 79 3.663 5.376 -21.661 615 HG22 VAL 79 1HG2 VAL 79 5.243 4.612 -21.491 616 HG23 VAL 79 2HG2 VAL 79 3.785 3.733 -21.032 617 H ILE 80 H ILE 80 5.215 3.081 -17.422 618 HA ILE 80 HA ILE 80 6.638 1.014 -18.934 619 HB ILE 80 HB ILE 80 5.878 1.348 -16.087 620 HG12 ILE 80 2HG1 ILE 80 8.183 1.696 -16.964 621 HG13 ILE 80 3HG1 ILE 80 8.098 0.454 -15.720 622 HG21 ILE 80 1HG2 ILE 80 4.687 -0.647 -16.410 623 HG22 ILE 80 2HG2 ILE 80 5.909 -1.299 -17.500 624 HG23 ILE 80 3HG2 ILE 80 6.253 -1.154 -15.777 625 HD11 ILE 80 3HD1 ILE 80 9.171 0.265 -18.318 626 HD12 ILE 80 1HD1 ILE 80 9.056 -0.990 -17.084 627 HD13 ILE 80 2HD1 ILE 80 7.753 -0.782 -18.255 628 H GLU 81 H GLU 81 5.548 -0.328 -20.197 629 HA GLU 81 HA GLU 81 2.673 -0.716 -19.692 630 HB2 GLU 81 2HB GLU 81 4.285 -0.645 -22.222 631 HB3 GLU 81 3HB GLU 81 2.747 -1.494 -22.174 632 HG2 GLU 81 2HG GLU 81 2.999 1.362 -21.305 633 HG3 GLU 81 3HG GLU 81 2.751 0.917 -22.992 634 H ILE 82 H ILE 82 1.873 -2.877 -20.634 635 HA ILE 82 HA ILE 82 3.788 -5.001 -19.920 636 HB ILE 82 HB ILE 82 0.810 -5.157 -19.475 637 HG12 ILE 82 2HG1 ILE 82 1.762 -3.379 -18.068 638 HG13 ILE 82 3HG1 ILE 82 1.266 -4.762 -17.099 639 HG21 ILE 82 1HG2 ILE 82 3.058 -6.825 -18.356 640 HG22 ILE 82 2HG2 ILE 82 1.328 -7.094 -18.145 641 HG23 ILE 82 3HG2 ILE 82 2.062 -7.280 -19.738 642 HD11 ILE 82 3HD1 ILE 82 3.728 -3.479 -17.071 643 HD12 ILE 82 1HD1 ILE 82 3.308 -5.000 -16.284 644 HD13 ILE 82 2HD1 ILE 82 4.018 -5.008 -17.899 645 H VAL 83 H VAL 83 3.865 -6.797 -21.203 646 HA VAL 83 HA VAL 83 1.906 -7.126 -23.338 647 HB VAL 83 HB VAL 83 3.732 -7.415 -25.033 648 HG11 VAL 83 1HG1 VAL 83 3.968 -5.040 -25.487 649 HG12 VAL 83 2HG1 VAL 83 2.333 -5.397 -24.928 650 HG13 VAL 83 3HG1 VAL 83 3.500 -4.658 -23.831 651 HG21 VAL 83 3HG2 VAL 83 5.428 -5.968 -23.002 652 HG22 VAL 83 1HG2 VAL 83 5.564 -7.686 -23.380 653 HG23 VAL 83 2HG2 VAL 83 5.910 -6.479 -24.619 654 HA PRO 84 HA PRO 84 2.531 -11.406 -22.574 655 HB2 PRO 84 2HB PRO 84 1.956 -12.453 -25.011 656 HB3 PRO 84 3HB PRO 84 0.721 -11.786 -23.937 657 HG2 PRO 84 2HG PRO 84 2.065 -10.521 -26.294 658 HG3 PRO 84 3HG PRO 84 0.354 -10.490 -25.832 659 HD2 PRO 84 2HD PRO 84 2.034 -8.424 -25.341 660 HD3 PRO 84 3HD PRO 84 0.676 -8.826 -24.270 661 H ASP 85 H ASP 85 3.820 -13.276 -23.167 662 HA ASP 85 HA ASP 85 6.401 -12.476 -24.279 663 HB2 ASP 85 2HB ASP 85 6.247 -13.621 -22.047 664 HB3 ASP 85 3HB ASP 85 5.684 -15.062 -22.888 665 H GLY 86 H GLY 86 3.968 -15.042 -24.655 666 HA2 GLY 86 2HA GLY 86 3.629 -15.316 -27.234 667 HA3 GLY 86 3HA GLY 86 5.285 -15.898 -27.132 668 H GLU 87 H GLU 87 4.287 -16.889 -24.310 669 HA GLU 87 HA GLU 87 3.178 -19.412 -25.353 670 HB2 GLU 87 2HB GLU 87 4.172 -20.336 -23.142 671 HB3 GLU 87 3HB GLU 87 5.251 -20.009 -24.491 672 HG2 GLU 87 2HG GLU 87 5.964 -17.947 -23.496 673 HG3 GLU 87 3HG GLU 87 4.771 -18.108 -22.209 674 H GLY 88 H GLY 88 3.126 -17.159 -22.613 675 HA2 GLY 88 2HA GLY 88 0.446 -16.971 -22.236 676 HA3 GLY 88 3HA GLY 88 0.856 -18.460 -21.398 677 H ASN 89 H ASN 89 2.884 -15.586 -21.630 678 HA ASN 89 HA ASN 89 2.319 -14.944 -18.831 679 HB2 ASN 89 2HB ASN 89 5.137 -15.266 -19.883 680 HB3 ASN 89 3HB ASN 89 4.660 -14.885 -18.231 681 HD21 ASN 89 1HD2 ASN 89 5.254 -17.336 -20.510 682 HD22 ASN 89 2HD2 ASN 89 4.855 -18.688 -19.510 683 H TRP 90 H TRP 90 3.196 -12.828 -18.187 684 HA TRP 90 HA TRP 90 3.313 -10.998 -20.493 685 HB2 TRP 90 2HB TRP 90 2.355 -10.413 -17.682 686 HB3 TRP 90 3HB TRP 90 2.354 -9.283 -19.034 687 HD1 TRP 90 HD1 TRP 90 0.508 -12.365 -17.707 688 HE1 TRP 90 HE1 TRP 90 -1.740 -12.570 -18.943 689 HE3 TRP 90 HE3 TRP 90 1.168 -8.695 -21.204 690 HZ2 TRP 90 HZ2 TRP 90 -3.059 -11.340 -21.114 691 HZ3 TRP 90 HZ3 TRP 90 -0.635 -8.273 -22.825 692 HH2 TRP 90 HH2 TRP 90 -2.703 -9.569 -22.779 693 H LEU 91 H LEU 91 4.578 -9.010 -20.165 694 HA LEU 91 HA LEU 91 6.650 -9.125 -18.128 695 HB2 LEU 91 2HB LEU 91 7.104 -9.559 -21.033 696 HB3 LEU 91 3HB LEU 91 8.287 -8.600 -20.145 697 HG LEU 91 HG LEU 91 7.485 -11.420 -19.431 698 HD11 LEU 91 1HD1 LEU 91 9.898 -10.394 -20.918 699 HD12 LEU 91 2HD1 LEU 91 8.614 -11.412 -21.568 700 HD13 LEU 91 3HD1 LEU 91 9.693 -12.041 -20.324 701 HD21 LEU 91 3HD2 LEU 91 8.727 -9.447 -17.911 702 HD22 LEU 91 1HD2 LEU 91 10.043 -10.474 -18.482 703 HD23 LEU 91 2HD2 LEU 91 8.699 -11.181 -17.584 704 H GLU 92 H GLU 92 8.011 -7.149 -18.138 705 HA GLU 92 HA GLU 92 6.358 -4.834 -18.448 706 HB2 GLU 92 2HB GLU 92 9.305 -4.906 -17.799 707 HB3 GLU 92 3HB GLU 92 8.169 -3.611 -17.450 708 HG2 GLU 92 2HG GLU 92 8.017 -6.368 -16.257 709 HG3 GLU 92 3HG GLU 92 8.782 -4.983 -15.481 710 H ARG 93 H ARG 93 6.873 -2.948 -19.690 711 HA ARG 93 HA ARG 93 8.771 -3.244 -21.873 712 HB2 ARG 93 2HB ARG 93 6.370 -4.160 -22.458 713 HB3 ARG 93 3HB ARG 93 5.992 -2.452 -22.636 714 HG2 ARG 93 2HG ARG 93 6.552 -3.221 -24.784 715 HG3 ARG 93 3HG ARG 93 7.955 -2.312 -24.218 716 HD2 ARG 93 2HD ARG 93 8.975 -4.473 -23.505 717 HD3 ARG 93 3HD ARG 93 7.621 -5.307 -24.266 718 HE ARG 93 HE ARG 93 9.867 -4.079 -25.582 719 HH11 ARG 93 1HH1 ARG 93 6.573 -5.154 -25.917 720 HH12 ARG 93 2HH1 ARG 93 6.672 -5.344 -27.636 721 HH21 ARG 93 1HH2 ARG 93 10.010 -4.325 -27.846 722 HH22 ARG 93 2HH2 ARG 93 8.627 -4.872 -28.732 723 HA PRO 94 HA PRO 94 8.758 1.024 -20.255 724 HB2 PRO 94 2HB PRO 94 11.382 1.454 -20.801 725 HB3 PRO 94 3HB PRO 94 10.828 0.633 -19.338 726 HG2 PRO 94 2HG PRO 94 11.880 -0.538 -21.884 727 HG3 PRO 94 3HG PRO 94 12.237 -0.998 -20.209 728 HD2 PRO 94 2HD PRO 94 10.492 -2.373 -21.757 729 HD3 PRO 94 3HD PRO 94 10.296 -2.223 -19.999 730 H ARG 95 H ARG 95 7.591 2.117 -21.773 731 HA ARG 95 HA ARG 95 8.898 2.630 -24.364 732 HB2 ARG 95 2HB ARG 95 5.954 2.724 -23.676 733 HB3 ARG 95 3HB ARG 95 6.646 3.087 -25.252 734 HG2 ARG 95 2HG ARG 95 7.431 0.800 -25.460 735 HG3 ARG 95 3HG ARG 95 6.804 0.425 -23.854 736 HD2 ARG 95 2HD ARG 95 5.173 -0.369 -25.344 737 HD3 ARG 95 3HD ARG 95 4.536 1.162 -24.743 738 HE ARG 95 HE ARG 95 4.590 1.950 -26.879 739 HH11 ARG 95 1HH1 ARG 95 6.786 -0.741 -26.638 740 HH12 ARG 95 2HH1 ARG 95 7.159 -0.756 -28.330 741 HH21 ARG 95 1HH2 ARG 95 5.073 1.941 -29.108 742 HH22 ARG 95 2HH2 ARG 95 6.184 0.771 -29.734 743 H SER 96 H SER 96 8.343 4.778 -25.331 744 HA SER 96 HA SER 96 7.934 6.860 -23.300 745 HB2 SER 96 2HB SER 96 9.854 7.723 -25.282 746 HB3 SER 96 3HB SER 96 9.999 7.706 -23.525 747 HG SER 96 HG SER 96 11.099 6.045 -25.337 748 H LEU 97 H LEU 97 6.387 8.215 -23.896 749 HA LEU 97 HA LEU 97 5.505 8.250 -26.673 750 HB2 LEU 97 2HB LEU 97 4.211 9.796 -24.466 751 HB3 LEU 97 3HB LEU 97 3.487 9.114 -25.921 752 HG LEU 97 HG LEU 97 4.344 7.622 -23.445 753 HD11 LEU 97 1HD1 LEU 97 1.974 8.947 -24.082 754 HD12 LEU 97 2HD1 LEU 97 2.232 7.782 -22.783 755 HD13 LEU 97 3HD1 LEU 97 1.639 7.236 -24.351 756 HD21 LEU 97 3HD2 LEU 97 3.623 6.686 -26.183 757 HD22 LEU 97 1HD2 LEU 97 3.122 5.733 -24.785 758 HD23 LEU 97 2HD2 LEU 97 4.833 6.064 -25.060 759 H THR 98 H THR 98 6.649 9.597 -27.921 760 HA THR 98 HA THR 98 7.710 12.082 -26.907 761 HB THR 98 HB THR 98 8.700 12.386 -29.078 762 HG1 THR 98 HG1 THR 98 6.982 11.728 -30.402 763 HG21 THR 98 3HG2 THR 98 10.111 10.500 -29.176 764 HG22 THR 98 1HG2 THR 98 8.851 9.424 -28.573 765 HG23 THR 98 2HG2 THR 98 9.598 10.600 -27.492 766 H LEU 99 H LEU 99 7.193 14.166 -27.689 767 HA LEU 99 HA LEU 99 4.515 14.810 -27.828 768 HB2 LEU 99 2HB LEU 99 6.749 16.244 -27.609 769 HB3 LEU 99 3HB LEU 99 6.410 16.544 -29.312 770 HG LEU 99 HG LEU 99 4.065 17.251 -28.481 771 HD11 LEU 99 1HD1 LEU 99 3.794 16.868 -26.287 772 HD12 LEU 99 2HD1 LEU 99 4.676 18.383 -26.095 773 HD13 LEU 99 3HD1 LEU 99 5.529 16.844 -25.970 774 HD21 LEU 99 3HD2 LEU 99 4.933 19.540 -27.977 775 HD22 LEU 99 1HD2 LEU 99 5.566 18.827 -29.461 776 HD23 LEU 99 2HD2 LEU 99 6.564 18.866 -28.007 777 H LYS 100 H LYS 100 2.994 14.791 -29.359 778 HA LYS 100 HA LYS 100 3.375 13.477 -31.808 779 HB2 LYS 100 2HB LYS 100 1.105 14.027 -32.300 780 HB3 LYS 100 3HB LYS 100 1.201 13.733 -30.569 781 HG2 LYS 100 2HG LYS 100 1.441 16.262 -30.330 782 HG3 LYS 100 3HG LYS 100 0.904 16.345 -32.009 783 HD2 LYS 100 2HD LYS 100 -0.669 14.748 -30.033 784 HD3 LYS 100 3HD LYS 100 -0.831 16.506 -30.057 785 HE2 LYS 100 2HE LYS 100 -2.518 15.773 -31.488 786 HE3 LYS 100 3HE LYS 100 -1.214 16.233 -32.581 787 HZ1 LYS 100 3HZ LYS 100 -1.010 14.153 -33.309 788 HZ2 LYS 100 1HZ LYS 100 -2.507 13.850 -32.582 789 HZ3 LYS 100 2HZ LYS 100 -1.076 13.489 -31.755 790 H GLU 101 H GLU 101 3.642 14.184 -33.890 791 HA GLU 101 HA GLU 101 4.339 17.030 -34.196 792 HB2 GLU 101 2HB GLU 101 6.268 15.648 -34.564 793 HB3 GLU 101 3HB GLU 101 5.368 14.586 -35.638 794 HG2 GLU 101 2HG GLU 101 5.254 16.245 -37.327 795 HG3 GLU 101 3HG GLU 101 5.857 17.489 -36.233 796 H ARG 102 H ARG 102 3.565 14.458 -36.525 797 HA ARG 102 HA ARG 102 1.944 16.295 -38.054 798 HB2 ARG 102 2HB ARG 102 2.771 13.425 -38.434 799 HB3 ARG 102 3HB ARG 102 1.598 14.197 -39.493 800 HG2 ARG 102 2HG ARG 102 4.256 15.475 -39.026 801 HG3 ARG 102 3HG ARG 102 4.097 14.136 -40.166 802 HD2 ARG 102 2HD ARG 102 2.701 15.339 -41.578 803 HD3 ARG 102 3HD ARG 102 2.238 16.475 -40.312 804 HE ARG 102 HE ARG 102 4.959 16.800 -40.734 805 HH11 ARG 102 1HH1 ARG 102 2.001 17.172 -42.532 806 HH12 ARG 102 2HH1 ARG 102 2.618 18.440 -43.537 807 HH21 ARG 102 1HH2 ARG 102 5.783 18.470 -42.052 808 HH22 ARG 102 2HH2 ARG 102 4.770 19.177 -43.264 809 H SER 103 H SER 103 -0.174 15.220 -38.987 810 HA SER 103 HA SER 103 -1.699 14.052 -36.757 811 HB2 SER 103 2HB SER 103 -2.423 16.285 -36.689 812 HB3 SER 103 3HB SER 103 -2.383 16.448 -38.444 813 HG SER 103 HG SER 103 -4.168 14.729 -37.066 814 H LEU 104 H LEU 104 -2.644 12.213 -37.312 815 HA LEU 104 HA LEU 104 -3.043 11.632 -40.161 816 HB2 LEU 104 2HB LEU 104 -2.647 9.925 -37.736 817 HB3 LEU 104 3HB LEU 104 -3.397 9.256 -39.183 818 HG LEU 104 HG LEU 104 -1.286 10.066 -40.406 819 HD11 LEU 104 1HD1 LEU 104 -0.354 11.491 -38.727 820 HD12 LEU 104 2HD1 LEU 104 0.721 10.110 -38.935 821 HD13 LEU 104 3HD1 LEU 104 -0.358 10.185 -37.543 822 HD21 LEU 104 3HD2 LEU 104 -0.821 7.897 -40.409 823 HD22 LEU 104 1HD2 LEU 104 -1.958 7.685 -39.077 824 HD23 LEU 104 2HD2 LEU 104 -0.251 7.975 -38.741 825 H GLU 105 H GLU 105 -4.964 10.213 -40.655 826 HA GLU 105 HA GLU 105 -7.220 10.172 -38.959 827 HB2 GLU 105 2HB GLU 105 -8.641 11.803 -40.125 828 HB3 GLU 105 3HB GLU 105 -7.260 12.575 -39.357 829 HG2 GLU 105 2HG GLU 105 -7.150 11.786 -42.237 830 HG3 GLU 105 3HG GLU 105 -7.940 13.281 -41.741 831 H HIS 106 H HIS 106 -9.046 9.159 -39.929 832 HA HIS 106 HA HIS 106 -10.059 7.633 -41.278 833 HB2 HIS 106 2HB HIS 106 -8.491 8.933 -43.512 834 HB3 HIS 106 3HB HIS 106 -9.970 7.990 -43.668 835 HD1 HIS 106 HD1 HIS 106 -12.085 9.143 -42.270 836 HD2 HIS 106 HD2 HIS 106 -8.947 11.593 -43.458 837 HE1 HIS 106 HE1 HIS 106 -13.002 11.484 -42.214 838 H HIS 107 H HIS 107 -7.856 6.694 -39.939 839 HA HIS 107 HA HIS 107 -6.735 4.790 -41.884 840 HB2 HIS 107 2HB HIS 107 -5.341 6.348 -39.734 841 HB3 HIS 107 3HB HIS 107 -4.725 4.767 -40.209 842 HD1 HIS 107 HD1 HIS 107 -4.879 4.800 -43.184 843 HD2 HIS 107 HD2 HIS 107 -3.772 8.149 -40.988 844 HE1 HIS 107 HE1 HIS 107 -3.570 6.244 -44.774 845 H HIS 108 H HIS 108 -6.760 2.677 -41.307 846 HA HIS 108 HA HIS 108 -8.446 1.875 -39.167 847 HB2 HIS 108 2HB HIS 108 -6.790 0.465 -41.216 848 HB3 HIS 108 3HB HIS 108 -7.376 -0.452 -39.831 849 HD1 HIS 108 HD1 HIS 108 -8.261 -0.444 -43.026 850 HD2 HIS 108 HD2 HIS 108 -10.415 0.801 -39.699 851 HE1 HIS 108 HE1 HIS 108 -10.679 -0.573 -43.704 852 H HIS 109 H HIS 109 -5.036 0.992 -39.739 853 HA HIS 109 HA HIS 109 -3.358 0.440 -38.299 854 HB2 HIS 109 2HB HIS 109 -3.862 2.970 -37.854 855 HB3 HIS 109 3HB HIS 109 -4.484 2.384 -36.314 856 HD1 HIS 109 HD1 HIS 109 -1.386 1.142 -38.107 857 HD2 HIS 109 HD2 HIS 109 -2.473 3.165 -34.645 858 HE1 HIS 109 HE1 HIS 109 0.731 1.371 -36.770 859 H HIS 110 H HIS 110 -5.288 -1.406 -38.158 860 HA HIS 110 HA HIS 110 -6.050 -1.806 -35.378 861 HB2 HIS 110 2HB HIS 110 -7.730 -2.331 -37.029 862 HB3 HIS 110 3HB HIS 110 -6.621 -3.400 -37.883 863 HD1 HIS 110 HD1 HIS 110 -9.112 -3.341 -35.201 864 HD2 HIS 110 HD2 HIS 110 -6.021 -5.833 -36.425 865 HE1 HIS 110 HE1 HIS 110 -9.513 -5.533 -34.034 866 H HIS 111 H HIS 111 -3.710 -2.932 -37.682 867 HA HIS 111 HA HIS 111 -2.842 -5.062 -35.863 868 HB2 HIS 111 2HB HIS 111 -1.430 -5.813 -37.752 869 HB3 HIS 111 3HB HIS 111 -3.138 -5.744 -38.178 870 HD1 HIS 111 HD1 HIS 111 -3.771 -4.307 -40.135 871 HD2 HIS 111 HD2 HIS 111 0.131 -3.652 -38.870 872 HE1 HIS 111 HE1 HIS 111 -2.742 -2.813 -41.877 Start of MODEL 12 1 H1 ASP 1 H ASP 1 6.641 -36.542 -0.932 2 HA ASP 1 HA ASP 1 6.189 -37.887 -2.928 3 HB2 ASP 1 2HB ASP 1 3.644 -37.475 -1.347 4 HB3 ASP 1 3HB ASP 1 4.085 -38.901 -2.282 5 H LEU 2 H LEU 2 5.984 -35.082 -3.706 6 HA LEU 2 HA LEU 2 4.017 -35.422 -5.827 7 HB2 LEU 2 2HB LEU 2 3.357 -32.956 -5.419 8 HB3 LEU 2 3HB LEU 2 2.615 -34.225 -4.448 9 HG LEU 2 HG LEU 2 4.230 -33.689 -2.629 10 HD11 LEU 2 1HD1 LEU 2 5.060 -31.157 -3.089 11 HD12 LEU 2 2HD1 LEU 2 5.218 -31.855 -4.700 12 HD13 LEU 2 3HD1 LEU 2 6.057 -32.591 -3.335 13 HD21 LEU 2 3HD2 LEU 2 2.214 -32.743 -2.151 14 HD22 LEU 2 1HD2 LEU 2 2.166 -31.817 -3.652 15 HD23 LEU 2 2HD2 LEU 2 3.180 -31.275 -2.315 16 H THR 3 H THR 3 4.370 -34.038 -7.643 17 HA THR 3 HA THR 3 7.116 -33.570 -8.184 18 HB THR 3 HB THR 3 5.584 -34.190 -9.976 19 HG1 THR 3 HG1 THR 3 6.853 -33.090 -11.252 20 HG21 THR 3 3HG2 THR 3 3.880 -32.315 -8.832 21 HG22 THR 3 1HG2 THR 3 3.613 -33.199 -10.333 22 HG23 THR 3 2HG2 THR 3 4.349 -31.597 -10.372 23 H VAL 4 H VAL 4 8.018 -31.499 -8.927 24 HA VAL 4 HA VAL 4 7.496 -29.429 -7.007 25 HB VAL 4 HB VAL 4 9.355 -29.386 -9.388 26 HG11 VAL 4 1HG1 VAL 4 10.170 -27.773 -7.162 27 HG12 VAL 4 2HG1 VAL 4 9.865 -27.297 -8.834 28 HG13 VAL 4 3HG1 VAL 4 8.542 -27.322 -7.668 29 HG21 VAL 4 3HG2 VAL 4 10.975 -29.666 -7.263 30 HG22 VAL 4 1HG2 VAL 4 9.571 -30.567 -6.691 31 HG23 VAL 4 2HG2 VAL 4 10.360 -31.028 -8.199 32 H ARG 5 H ARG 5 7.777 -29.181 -10.552 33 HA ARG 5 HA ARG 5 6.760 -27.796 -12.050 34 HB2 ARG 5 2HB ARG 5 4.553 -28.774 -10.295 35 HB3 ARG 5 3HB ARG 5 4.192 -27.514 -11.467 36 HG2 ARG 5 2HG ARG 5 5.520 -30.101 -12.219 37 HG3 ARG 5 3HG ARG 5 3.769 -29.884 -12.207 38 HD2 ARG 5 2HD ARG 5 3.890 -28.188 -13.876 39 HD3 ARG 5 3HD ARG 5 5.647 -28.111 -13.752 40 HE ARG 5 HE ARG 5 5.125 -30.689 -14.480 41 HH11 ARG 5 1HH1 ARG 5 4.342 -27.555 -15.778 42 HH12 ARG 5 2HH1 ARG 5 4.306 -28.101 -17.422 43 HH21 ARG 5 1HH2 ARG 5 5.080 -31.420 -16.640 44 HH22 ARG 5 2HH2 ARG 5 4.725 -30.300 -17.911 45 H GLN 6 H GLN 6 8.016 -26.567 -9.702 46 HA GLN 6 HA GLN 6 6.505 -24.449 -8.670 47 HB2 GLN 6 2HB GLN 6 8.589 -25.069 -7.639 48 HB3 GLN 6 3HB GLN 6 9.480 -24.713 -9.113 49 HG2 GLN 6 2HG GLN 6 9.171 -22.393 -8.861 50 HG3 GLN 6 3HG GLN 6 7.941 -22.616 -7.618 51 HE21 GLN 6 1HE2 GLN 6 10.445 -21.092 -7.571 52 HE22 GLN 6 2HE2 GLN 6 11.344 -21.706 -6.230 53 H LYS 7 H LYS 7 6.337 -22.276 -9.236 54 HA LYS 7 HA LYS 7 6.804 -21.736 -12.086 55 HB2 LYS 7 2HB LYS 7 4.488 -21.530 -10.806 56 HB3 LYS 7 3HB LYS 7 5.128 -19.947 -10.386 57 HG2 LYS 7 2HG LYS 7 4.043 -19.397 -12.296 58 HG3 LYS 7 3HG LYS 7 5.598 -19.859 -12.992 59 HD2 LYS 7 2HD LYS 7 4.778 -21.797 -13.881 60 HD3 LYS 7 3HD LYS 7 3.563 -21.991 -12.615 61 HE2 LYS 7 2HE LYS 7 2.241 -21.436 -14.409 62 HE3 LYS 7 3HE LYS 7 2.528 -19.847 -13.703 63 HZ1 LYS 7 3HZ LYS 7 3.184 -20.768 -16.280 64 HZ2 LYS 7 1HZ LYS 7 4.611 -20.347 -15.474 65 HZ3 LYS 7 2HZ LYS 7 3.365 -19.214 -15.635 66 H GLY 8 H GLY 8 8.253 -20.263 -12.709 67 HA2 GLY 8 2HA GLY 8 10.142 -19.149 -11.024 68 HA3 GLY 8 3HA GLY 8 9.774 -18.543 -12.632 69 H ASN 9 H ASN 9 10.595 -16.746 -10.824 70 HA ASN 9 HA ASN 9 8.554 -15.571 -9.259 71 HB2 ASN 9 2HB ASN 9 10.802 -15.031 -8.703 72 HB3 ASN 9 3HB ASN 9 11.161 -14.512 -10.347 73 HD21 ASN 9 1HD2 ASN 9 10.221 -13.550 -7.274 74 HD22 ASN 9 2HD2 ASN 9 9.779 -11.920 -7.641 75 H LYS 10 H LYS 10 6.734 -14.753 -10.046 76 HA LYS 10 HA LYS 10 6.860 -12.784 -12.180 77 HB2 LYS 10 2HB LYS 10 5.163 -15.278 -12.368 78 HB3 LYS 10 3HB LYS 10 4.973 -13.872 -13.406 79 HG2 LYS 10 2HG LYS 10 7.169 -14.190 -14.329 80 HG3 LYS 10 3HG LYS 10 7.494 -15.504 -13.196 81 HD2 LYS 10 2HD LYS 10 5.098 -15.725 -14.943 82 HD3 LYS 10 3HD LYS 10 6.685 -15.962 -15.678 83 HE2 LYS 10 2HE LYS 10 5.969 -17.383 -13.146 84 HE3 LYS 10 3HE LYS 10 5.399 -17.998 -14.696 85 HZ1 LYS 10 3HZ LYS 10 7.726 -18.682 -13.636 86 HZ2 LYS 10 1HZ LYS 10 8.227 -17.338 -14.533 87 HZ3 LYS 10 2HZ LYS 10 7.459 -18.632 -15.305 88 H VAL 11 H VAL 11 4.322 -12.195 -12.629 89 HA VAL 11 HA VAL 11 3.175 -11.708 -9.956 90 HB VAL 11 HB VAL 11 2.176 -9.634 -10.952 91 HG11 VAL 11 1HG1 VAL 11 3.889 -8.487 -10.093 92 HG12 VAL 11 2HG1 VAL 11 4.661 -10.055 -9.851 93 HG13 VAL 11 3HG1 VAL 11 5.019 -9.108 -11.295 94 HG21 VAL 11 3HG2 VAL 11 2.653 -8.894 -13.056 95 HG22 VAL 11 1HG2 VAL 11 4.222 -9.699 -13.101 96 HG23 VAL 11 2HG2 VAL 11 2.745 -10.632 -13.345 97 H ILE 12 H ILE 12 0.764 -11.049 -10.177 98 HA ILE 12 HA ILE 12 -0.586 -13.270 -11.393 99 HB ILE 12 HB ILE 12 -1.859 -10.854 -10.112 100 HG12 ILE 12 2HG1 ILE 12 -0.197 -11.857 -8.592 101 HG13 ILE 12 3HG1 ILE 12 -1.840 -12.109 -8.013 102 HG21 ILE 12 1HG2 ILE 12 -3.683 -11.910 -10.879 103 HG22 ILE 12 2HG2 ILE 12 -2.818 -13.424 -11.139 104 HG23 ILE 12 3HG2 ILE 12 -3.409 -13.012 -9.530 105 HD11 ILE 12 3HD1 ILE 12 -0.119 -14.131 -9.427 106 HD12 ILE 12 1HD1 ILE 12 -0.518 -14.104 -7.709 107 HD13 ILE 12 2HD1 ILE 12 -1.783 -14.392 -8.904 108 H LYS 13 H LYS 13 -2.211 -13.185 -12.984 109 HA LYS 13 HA LYS 13 -1.685 -11.330 -15.099 110 HB2 LYS 13 2HB LYS 13 -3.009 -12.683 -16.428 111 HB3 LYS 13 3HB LYS 13 -2.448 -13.826 -15.215 112 HG2 LYS 13 2HG LYS 13 -5.113 -12.423 -15.194 113 HG3 LYS 13 3HG LYS 13 -4.828 -14.091 -15.697 114 HD2 LYS 13 2HD LYS 13 -4.227 -12.993 -12.951 115 HD3 LYS 13 3HD LYS 13 -5.682 -13.897 -13.377 116 HE2 LYS 13 2HE LYS 13 -4.307 -15.819 -13.997 117 HE3 LYS 13 3HE LYS 13 -2.849 -14.913 -13.597 118 HZ1 LYS 13 3HZ LYS 13 -3.081 -15.835 -11.594 119 HZ2 LYS 13 1HZ LYS 13 -4.692 -16.278 -11.861 120 HZ3 LYS 13 2HZ LYS 13 -4.322 -14.712 -11.341 121 HA PRO 14 HA PRO 14 -4.686 -8.221 -14.332 122 HB2 PRO 14 2HB PRO 14 -5.465 -7.584 -16.853 123 HB3 PRO 14 3HB PRO 14 -3.884 -7.145 -16.197 124 HG2 PRO 14 2HG PRO 14 -4.623 -9.425 -17.991 125 HG3 PRO 14 3HG PRO 14 -3.224 -8.339 -18.080 126 HD2 PRO 14 2HD PRO 14 -3.068 -10.835 -17.041 127 HD3 PRO 14 3HD PRO 14 -2.068 -9.492 -16.453 128 H ASP 15 H ASP 15 -6.977 -7.576 -14.804 129 HA ASP 15 HA ASP 15 -8.644 -9.989 -15.018 130 HB2 ASP 15 2HB ASP 15 -9.104 -7.340 -13.644 131 HB3 ASP 15 3HB ASP 15 -10.383 -8.529 -13.878 132 H GLU 16 H GLU 16 -8.847 -10.064 -17.258 133 HA GLU 16 HA GLU 16 -9.475 -7.901 -18.920 134 HB2 GLU 16 2HB GLU 16 -9.695 -10.865 -19.144 135 HB3 GLU 16 3HB GLU 16 -10.545 -9.882 -20.329 136 HG2 GLU 16 2HG GLU 16 -8.400 -8.740 -20.835 137 HG3 GLU 16 3HG GLU 16 -7.593 -9.875 -19.754 138 H THR 17 H THR 17 -11.506 -10.016 -16.998 139 HA THR 17 HA THR 17 -13.988 -9.266 -18.137 140 HB THR 17 HB THR 17 -15.035 -10.342 -16.281 141 HG1 THR 17 HG1 THR 17 -13.496 -11.030 -14.500 142 HG21 THR 17 3HG2 THR 17 -14.234 -12.464 -16.585 143 HG22 THR 17 1HG2 THR 17 -12.550 -11.973 -16.406 144 HG23 THR 17 2HG2 THR 17 -13.407 -11.654 -17.914 145 H ARG 18 H ARG 18 -12.009 -7.928 -15.566 146 HA ARG 18 HA ARG 18 -14.064 -6.002 -14.835 147 HB2 ARG 18 2HB ARG 18 -11.238 -6.288 -13.798 148 HB3 ARG 18 3HB ARG 18 -12.504 -5.283 -13.105 149 HG2 ARG 18 2HG ARG 18 -13.815 -7.485 -12.856 150 HG3 ARG 18 3HG ARG 18 -12.249 -8.263 -13.097 151 HD2 ARG 18 2HD ARG 18 -12.323 -8.079 -10.803 152 HD3 ARG 18 3HD ARG 18 -11.458 -6.607 -11.246 153 HE ARG 18 HE ARG 18 -14.223 -6.083 -11.136 154 HH11 ARG 18 1HH1 ARG 18 -11.513 -6.766 -9.060 155 HH12 ARG 18 2HH1 ARG 18 -12.168 -5.907 -7.705 156 HH21 ARG 18 1HH2 ARG 18 -15.095 -4.949 -9.359 157 HH22 ARG 18 2HH2 ARG 18 -14.206 -4.874 -7.876 158 H VAL 19 H VAL 19 -13.379 -3.673 -14.620 159 HA VAL 19 HA VAL 19 -11.806 -2.886 -16.987 160 HB VAL 19 HB VAL 19 -14.003 -1.273 -15.690 161 HG11 VAL 19 1HG1 VAL 19 -12.643 0.214 -16.851 162 HG12 VAL 19 2HG1 VAL 19 -12.310 -0.943 -18.141 163 HG13 VAL 19 3HG1 VAL 19 -13.898 -0.183 -18.025 164 HG21 VAL 19 3HG2 VAL 19 -14.099 -3.139 -18.053 165 HG22 VAL 19 1HG2 VAL 19 -15.050 -3.221 -16.570 166 HG23 VAL 19 2HG2 VAL 19 -15.328 -1.917 -17.724 167 H LYS 20 H LYS 20 -10.457 -1.062 -16.835 168 HA LYS 20 HA LYS 20 -9.547 -0.510 -14.104 169 HB2 LYS 20 2HB LYS 20 -8.099 0.333 -16.597 170 HB3 LYS 20 3HB LYS 20 -7.444 0.024 -14.995 171 HG2 LYS 20 2HG LYS 20 -8.434 -2.007 -16.981 172 HG3 LYS 20 3HG LYS 20 -6.773 -1.750 -16.441 173 HD2 LYS 20 2HD LYS 20 -9.069 -2.685 -14.719 174 HD3 LYS 20 3HD LYS 20 -7.773 -3.700 -15.354 175 HE2 LYS 20 2HE LYS 20 -6.260 -1.901 -14.144 176 HE3 LYS 20 3HE LYS 20 -7.717 -1.672 -13.177 177 HZ1 LYS 20 3HZ LYS 20 -6.553 -3.299 -12.039 178 HZ2 LYS 20 1HZ LYS 20 -6.044 -4.086 -13.448 179 HZ3 LYS 20 2HZ LYS 20 -7.655 -4.208 -12.945 180 H GLN 21 H GLN 21 -9.647 1.388 -17.123 181 HA GLN 21 HA GLN 21 -11.073 3.516 -15.729 182 HB2 GLN 21 2HB GLN 21 -8.330 3.796 -16.935 183 HB3 GLN 21 3HB GLN 21 -9.401 5.178 -16.744 184 HG2 GLN 21 2HG GLN 21 -8.603 3.390 -14.465 185 HG3 GLN 21 3HG GLN 21 -7.708 4.839 -14.923 186 HE21 GLN 21 1HE2 GLN 21 -10.671 3.596 -13.591 187 HE22 GLN 21 2HE2 GLN 21 -11.239 5.090 -12.935 188 H PHE 22 H PHE 22 -11.191 5.462 -17.491 189 HA PHE 22 HA PHE 22 -12.781 4.373 -19.600 190 HB2 PHE 22 2HB PHE 22 -13.466 6.459 -18.624 191 HB3 PHE 22 3HB PHE 22 -11.904 7.194 -18.968 192 HD1 PHE 22 HD2 PHE 22 -14.228 5.197 -21.089 193 HD2 PHE 22 HD1 PHE 22 -12.229 8.904 -20.470 194 HE1 PHE 22 HE2 PHE 22 -15.093 6.019 -23.241 195 HE2 PHE 22 HE1 PHE 22 -13.091 9.732 -22.620 196 HZ PHE 22 HZ PHE 22 -14.524 8.289 -24.009 197 H LEU 23 H LEU 23 -9.684 6.107 -19.478 198 HA LEU 23 HA LEU 23 -9.271 5.821 -22.319 199 HB2 LEU 23 2HB LEU 23 -7.414 6.772 -20.143 200 HB3 LEU 23 3HB LEU 23 -7.094 6.871 -21.873 201 HG LEU 23 HG LEU 23 -7.751 9.028 -21.300 202 HD11 LEU 23 1HD1 LEU 23 -9.612 9.409 -22.605 203 HD12 LEU 23 2HD1 LEU 23 -10.446 7.967 -22.027 204 HD13 LEU 23 3HD1 LEU 23 -9.103 7.815 -23.161 205 HD21 LEU 23 3HD2 LEU 23 -8.902 7.866 -19.093 206 HD22 LEU 23 1HD2 LEU 23 -10.293 8.486 -19.982 207 HD23 LEU 23 2HD2 LEU 23 -8.985 9.576 -19.521 208 H GLU 24 H GLU 24 -8.744 3.909 -19.572 209 HA GLU 24 HA GLU 24 -6.440 2.495 -20.576 210 HB2 GLU 24 2HB GLU 24 -8.232 2.219 -18.193 211 HB3 GLU 24 3HB GLU 24 -7.183 0.882 -18.645 212 HG2 GLU 24 2HG GLU 24 -5.319 2.687 -18.651 213 HG3 GLU 24 3HG GLU 24 -6.459 3.607 -17.670 214 H GLY 25 H GLY 25 -9.554 2.550 -21.546 215 HA2 GLY 25 2HA GLY 25 -9.861 -0.324 -21.951 216 HA3 GLY 25 3HA GLY 25 -11.045 0.915 -22.342 217 H PHE 26 H PHE 26 -8.155 1.996 -23.485 218 HA PHE 26 HA PHE 26 -8.576 0.740 -26.117 219 HB2 PHE 26 2HB PHE 26 -7.686 3.590 -25.640 220 HB3 PHE 26 3HB PHE 26 -8.053 2.842 -27.190 221 HD1 PHE 26 HD2 PHE 26 -9.512 4.031 -24.022 222 HD2 PHE 26 HD1 PHE 26 -10.271 2.699 -27.992 223 HE1 PHE 26 HE2 PHE 26 -11.850 4.772 -23.820 224 HE2 PHE 26 HE1 PHE 26 -12.610 3.438 -27.797 225 HZ PHE 26 HZ PHE 26 -13.402 4.475 -25.708 226 H ASN 27 H ASN 27 -6.626 0.933 -27.557 227 HA ASN 27 HA ASN 27 -4.421 -0.308 -26.389 228 HB2 ASN 27 2HB ASN 27 -5.078 0.823 -29.025 229 HB3 ASN 27 3HB ASN 27 -3.357 0.794 -28.655 230 HD21 ASN 27 1HD2 ASN 27 -2.290 -1.029 -28.981 231 HD22 ASN 27 2HD2 ASN 27 -3.005 -2.578 -29.258 232 H ILE 28 H ILE 28 -2.273 0.424 -26.028 233 HA ILE 28 HA ILE 28 -2.174 3.085 -24.896 234 HB ILE 28 HB ILE 28 -1.170 1.145 -23.719 235 HG12 ILE 28 2HG1 ILE 28 0.939 2.282 -23.105 236 HG13 ILE 28 3HG1 ILE 28 0.776 3.323 -24.514 237 HG21 ILE 28 1HG2 ILE 28 0.648 -0.042 -24.505 238 HG22 ILE 28 2HG2 ILE 28 -0.284 0.216 -25.978 239 HG23 ILE 28 3HG2 ILE 28 1.120 1.227 -25.636 240 HD11 ILE 28 3HD1 ILE 28 -0.546 4.712 -23.413 241 HD12 ILE 28 1HD1 ILE 28 -1.607 3.399 -22.904 242 HD13 ILE 28 2HD1 ILE 28 -0.177 3.798 -21.951 243 H GLU 29 H GLU 29 -1.153 1.486 -27.778 244 HA GLU 29 HA GLU 29 0.825 3.479 -28.472 245 HB2 GLU 29 2HB GLU 29 1.160 2.213 -30.484 246 HB3 GLU 29 3HB GLU 29 1.037 1.084 -29.142 247 HG2 GLU 29 2HG GLU 29 -1.196 0.496 -29.752 248 HG3 GLU 29 3HG GLU 29 -1.250 1.767 -30.972 249 H THR 30 H THR 30 -2.546 2.905 -28.993 250 HA THR 30 HA THR 30 -2.937 4.437 -31.321 251 HB THR 30 HB THR 30 -5.314 4.662 -30.488 252 HG1 THR 30 HG1 THR 30 -5.559 4.336 -28.416 253 HG21 THR 30 3HG2 THR 30 -5.657 2.094 -30.481 254 HG22 THR 30 1HG2 THR 30 -3.921 2.023 -30.780 255 HG23 THR 30 2HG2 THR 30 -4.979 2.856 -31.920 256 H PHE 31 H PHE 31 -2.286 5.342 -28.073 257 HA PHE 31 HA PHE 31 -3.376 8.009 -28.320 258 HB2 PHE 31 2HB PHE 31 -1.604 6.830 -26.169 259 HB3 PHE 31 3HB PHE 31 -2.460 8.366 -26.076 260 HD1 PHE 31 HD1 PHE 31 -5.063 7.507 -27.294 261 HD2 PHE 31 HD2 PHE 31 -2.565 5.664 -24.382 262 HE1 PHE 31 HE1 PHE 31 -7.021 6.358 -26.346 263 HE2 PHE 31 HE2 PHE 31 -4.519 4.511 -23.431 264 HZ PHE 31 HZ PHE 31 -6.751 4.857 -24.413 265 H GLU 32 H GLU 32 -2.121 9.940 -28.230 266 HA GLU 32 HA GLU 32 0.712 9.673 -28.924 267 HB2 GLU 32 2HB GLU 32 0.503 11.238 -30.778 268 HB3 GLU 32 3HB GLU 32 -0.516 9.831 -31.048 269 HG2 GLU 32 2HG GLU 32 -2.188 11.220 -31.443 270 HG3 GLU 32 3HG GLU 32 -2.158 11.645 -29.733 271 H MET 33 H MET 33 1.945 11.068 -27.842 272 HA MET 33 HA MET 33 1.018 12.717 -25.833 273 HB2 MET 33 2HB MET 33 3.331 12.010 -25.930 274 HB3 MET 33 3HB MET 33 3.585 12.918 -27.414 275 HG2 MET 33 2HG MET 33 3.065 14.997 -26.125 276 HG3 MET 33 3HG MET 33 3.073 14.013 -24.663 277 HE1 MET 33 3HE MET 33 6.144 16.282 -24.602 278 HE2 MET 33 1HE MET 33 4.450 16.044 -24.171 279 HE3 MET 33 2HE MET 33 5.705 15.104 -23.364 280 H VAL 34 H VAL 34 0.028 14.622 -25.788 281 HA VAL 34 HA VAL 34 -0.004 16.238 -28.246 282 HB VAL 34 HB VAL 34 -2.209 15.480 -27.471 283 HG11 VAL 34 1HG1 VAL 34 -3.114 16.543 -25.367 284 HG12 VAL 34 2HG1 VAL 34 -1.919 15.265 -25.130 285 HG13 VAL 34 3HG1 VAL 34 -1.448 16.957 -24.962 286 HG21 VAL 34 3HG2 VAL 34 -3.180 17.397 -28.128 287 HG22 VAL 34 1HG2 VAL 34 -2.415 18.339 -26.849 288 HG23 VAL 34 2HG2 VAL 34 -1.524 17.970 -28.326 289 H GLY 35 H GLY 35 0.874 16.235 -24.894 290 HA2 GLY 35 2HA GLY 35 2.524 18.484 -25.095 291 HA3 GLY 35 3HA GLY 35 0.983 19.016 -24.440 292 H THR 36 H THR 36 2.958 19.479 -22.815 293 HA THR 36 HA THR 36 2.546 17.569 -20.659 294 HB THR 36 HB THR 36 5.139 17.859 -20.199 295 HG1 THR 36 HG1 THR 36 5.650 19.076 -22.011 296 HG21 THR 36 3HG2 THR 36 5.513 15.713 -21.454 297 HG22 THR 36 1HG2 THR 36 3.882 15.885 -22.102 298 HG23 THR 36 2HG2 THR 36 4.126 15.702 -20.365 299 H LEU 37 H LEU 37 2.725 18.460 -18.620 300 HA LEU 37 HA LEU 37 3.320 21.344 -18.520 301 HB2 LEU 37 2HB LEU 37 0.897 20.771 -18.318 302 HB3 LEU 37 3HB LEU 37 1.285 19.888 -16.843 303 HG LEU 37 HG LEU 37 0.315 22.227 -16.587 304 HD11 LEU 37 1HD1 LEU 37 1.125 22.056 -14.531 305 HD12 LEU 37 2HD1 LEU 37 2.744 22.481 -15.086 306 HD13 LEU 37 3HD1 LEU 37 2.219 20.798 -15.106 307 HD21 LEU 37 3HD2 LEU 37 2.166 22.968 -18.391 308 HD22 LEU 37 1HD2 LEU 37 3.033 23.329 -16.898 309 HD23 LEU 37 2HD2 LEU 37 1.462 24.070 -17.206 310 H SER 38 H SER 38 4.532 22.090 -16.831 311 HA SER 38 HA SER 38 5.223 20.289 -14.648 312 HB2 SER 38 2HB SER 38 7.622 20.513 -14.983 313 HB3 SER 38 3HB SER 38 6.891 19.834 -16.437 314 HG SER 38 HG SER 38 8.282 22.131 -16.134 315 H ASN 39 H ASN 39 5.288 21.368 -12.790 316 HA ASN 39 HA ASN 39 6.333 24.035 -12.595 317 HB2 ASN 39 2HB ASN 39 4.352 25.179 -11.927 318 HB3 ASN 39 3HB ASN 39 3.959 24.346 -13.428 319 HD21 ASN 39 1HD2 ASN 39 3.313 21.902 -12.823 320 HD22 ASN 39 2HD2 ASN 39 2.018 21.821 -11.681 321 H ALA 40 H ALA 40 5.347 24.830 -10.191 322 HA ALA 40 HA ALA 40 6.822 23.402 -8.339 323 HB1 ALA 40 1HB ALA 40 6.281 25.553 -7.682 324 HB2 ALA 40 2HB ALA 40 4.573 25.355 -8.074 325 HB3 ALA 40 3HB ALA 40 5.246 24.571 -6.645 326 H GLN 41 H GLN 41 3.487 22.968 -9.340 327 HA GLN 41 HA GLN 41 2.654 21.266 -7.262 328 HB2 GLN 41 2HB GLN 41 1.629 22.175 -9.804 329 HB3 GLN 41 3HB GLN 41 1.297 20.462 -9.585 330 HG2 GLN 41 2HG GLN 41 0.502 21.263 -7.209 331 HG3 GLN 41 3HG GLN 41 0.308 22.802 -8.046 332 HE21 GLN 41 1HE2 GLN 41 -1.960 22.264 -7.327 333 HE22 GLN 41 2HE2 GLN 41 -2.941 21.388 -8.446 334 H GLY 42 H GLY 42 4.519 20.697 -10.156 335 HA2 GLY 42 2HA GLY 42 5.980 18.615 -9.666 336 HA3 GLY 42 3HA GLY 42 4.425 17.796 -9.685 337 H THR 43 H THR 43 4.952 16.502 -11.443 338 HA THR 43 HA THR 43 5.166 17.934 -14.012 339 HB THR 43 HB THR 43 6.130 15.441 -14.590 340 HG1 THR 43 HG1 THR 43 6.780 14.570 -12.780 341 HG21 THR 43 3HG2 THR 43 7.923 17.651 -13.617 342 HG22 THR 43 1HG2 THR 43 7.018 17.776 -15.125 343 HG23 THR 43 2HG2 THR 43 8.212 16.494 -14.916 344 H PHE 44 H PHE 44 3.618 17.537 -15.462 345 HA PHE 44 HA PHE 44 1.972 15.120 -15.133 346 HB2 PHE 44 2HB PHE 44 0.882 17.815 -15.956 347 HB3 PHE 44 3HB PHE 44 -0.034 16.356 -15.588 348 HD1 PHE 44 HD2 PHE 44 2.006 19.059 -14.142 349 HD2 PHE 44 HD1 PHE 44 -0.587 15.776 -13.358 350 HE1 PHE 44 HE2 PHE 44 1.807 19.781 -11.799 351 HE2 PHE 44 HE1 PHE 44 -0.792 16.494 -11.013 352 HZ PHE 44 HZ PHE 44 0.407 18.498 -10.231 353 H ALA 45 H ALA 45 1.128 14.214 -17.027 354 HA ALA 45 HA ALA 45 2.398 15.180 -19.505 355 HB1 ALA 45 1HB ALA 45 3.305 13.142 -19.556 356 HB2 ALA 45 2HB ALA 45 2.216 12.533 -18.309 357 HB3 ALA 45 3HB ALA 45 1.696 12.565 -19.994 358 H LEU 46 H LEU 46 1.160 15.575 -21.257 359 HA LEU 46 HA LEU 46 -1.730 15.069 -20.996 360 HB2 LEU 46 2HB LEU 46 -0.538 17.152 -22.788 361 HB3 LEU 46 3HB LEU 46 -2.180 17.044 -22.158 362 HG LEU 46 HG LEU 46 0.301 17.851 -20.647 363 HD11 LEU 46 1HD1 LEU 46 -0.349 19.974 -20.914 364 HD12 LEU 46 2HD1 LEU 46 -2.054 19.585 -20.682 365 HD13 LEU 46 3HD1 LEU 46 -1.303 19.353 -22.261 366 HD21 LEU 46 3HD2 LEU 46 -1.718 18.369 -18.952 367 HD22 LEU 46 1HD2 LEU 46 -0.775 16.879 -18.915 368 HD23 LEU 46 2HD2 LEU 46 -2.341 16.912 -19.726 369 H VAL 47 H VAL 47 -2.460 13.523 -22.282 370 HA VAL 47 HA VAL 47 -1.181 13.157 -24.914 371 HB VAL 47 HB VAL 47 -0.788 11.289 -23.259 372 HG11 VAL 47 1HG1 VAL 47 -2.462 10.148 -22.295 373 HG12 VAL 47 2HG1 VAL 47 -3.441 11.559 -22.697 374 HG13 VAL 47 3HG1 VAL 47 -3.441 10.152 -23.761 375 HG21 VAL 47 3HG2 VAL 47 -1.052 9.570 -24.896 376 HG22 VAL 47 1HG2 VAL 47 -2.333 10.467 -25.712 377 HG23 VAL 47 2HG2 VAL 47 -0.675 11.065 -25.752 378 H LYS 48 H LYS 48 -2.569 12.338 -26.611 379 HA LYS 48 HA LYS 48 -5.391 13.096 -26.215 380 HB2 LYS 48 2HB LYS 48 -4.170 14.632 -27.708 381 HB3 LYS 48 3HB LYS 48 -3.743 13.278 -28.745 382 HG2 LYS 48 2HG LYS 48 -6.288 12.911 -28.935 383 HG3 LYS 48 3HG LYS 48 -6.410 14.564 -28.327 384 HD2 LYS 48 2HD LYS 48 -4.734 15.142 -30.199 385 HD3 LYS 48 3HD LYS 48 -5.183 13.577 -30.881 386 HE2 LYS 48 2HE LYS 48 -7.585 14.342 -30.725 387 HE3 LYS 48 3HE LYS 48 -6.961 15.948 -30.351 388 HZ1 LYS 48 3HZ LYS 48 -5.759 14.775 -32.681 389 HZ2 LYS 48 1HZ LYS 48 -6.443 16.309 -32.474 390 HZ3 LYS 48 2HZ LYS 48 -7.430 14.984 -32.838 391 H GLY 49 H GLY 49 -6.981 11.751 -26.974 392 HA2 GLY 49 2HA GLY 49 -6.654 9.663 -28.810 393 HA3 GLY 49 3HA GLY 49 -6.393 9.003 -27.202 394 H ALA 50 H ALA 50 -8.194 7.746 -27.047 395 HA ALA 50 HA ALA 50 -10.752 8.288 -27.919 396 HB1 ALA 50 1HB ALA 50 -9.756 6.156 -26.843 397 HB2 ALA 50 2HB ALA 50 -10.321 6.858 -25.327 398 HB3 ALA 50 3HB ALA 50 -11.469 6.509 -26.619 399 H GLY 51 H GLY 51 -11.991 9.996 -27.513 400 HA2 GLY 51 2HA GLY 51 -13.448 11.108 -25.945 401 HA3 GLY 51 3HA GLY 51 -12.195 10.931 -24.726 402 H GLY 52 H GLY 52 -10.019 11.797 -26.397 403 HA2 GLY 52 2HA GLY 52 -9.852 13.951 -27.801 404 HA3 GLY 52 3HA GLY 52 -10.636 14.676 -26.406 405 H VAL 53 H VAL 53 -9.458 15.132 -24.587 406 HA VAL 53 HA VAL 53 -6.561 14.608 -24.773 407 HB VAL 53 HB VAL 53 -6.382 16.696 -23.287 408 HG11 VAL 53 1HG1 VAL 53 -5.954 17.993 -25.137 409 HG12 VAL 53 2HG1 VAL 53 -5.947 16.378 -25.849 410 HG13 VAL 53 3HG1 VAL 53 -7.370 17.408 -26.010 411 HG21 VAL 53 3HG2 VAL 53 -8.182 18.326 -23.526 412 HG22 VAL 53 1HG2 VAL 53 -9.135 17.153 -24.435 413 HG23 VAL 53 2HG2 VAL 53 -8.763 16.860 -22.736 414 H HIS 54 H HIS 54 -5.527 13.776 -23.031 415 HA HIS 54 HA HIS 54 -7.097 13.394 -20.569 416 HB2 HIS 54 2HB HIS 54 -5.084 11.335 -21.325 417 HB3 HIS 54 3HB HIS 54 -6.598 11.157 -20.443 418 HD1 HIS 54 HD1 HIS 54 -5.301 9.831 -23.280 419 HD2 HIS 54 HD2 HIS 54 -8.743 12.071 -22.653 420 HE1 HIS 54 HE1 HIS 54 -6.813 9.295 -25.216 421 H ARG 55 H ARG 55 -6.003 13.564 -18.635 422 HA ARG 55 HA ARG 55 -3.200 14.455 -18.824 423 HB2 ARG 55 2HB ARG 55 -3.604 15.962 -16.969 424 HB3 ARG 55 3HB ARG 55 -4.757 16.288 -18.257 425 HG2 ARG 55 2HG ARG 55 -6.414 14.890 -17.004 426 HG3 ARG 55 3HG ARG 55 -5.260 14.841 -15.670 427 HD2 ARG 55 2HD ARG 55 -5.862 16.871 -14.987 428 HD3 ARG 55 3HD ARG 55 -5.629 17.541 -16.601 429 HE ARG 55 HE ARG 55 -8.045 16.124 -16.559 430 HH11 ARG 55 1HH1 ARG 55 -6.620 19.003 -15.216 431 HH12 ARG 55 2HH1 ARG 55 -8.127 19.849 -15.095 432 HH21 ARG 55 1HH2 ARG 55 -10.035 17.229 -16.405 433 HH22 ARG 55 2HH2 ARG 55 -10.069 18.839 -15.770 434 H VAL 56 H VAL 56 -1.764 13.308 -17.708 435 HA VAL 56 HA VAL 56 -2.602 11.861 -15.310 436 HB VAL 56 HB VAL 56 -1.279 9.849 -16.108 437 HG11 VAL 56 1HG1 VAL 56 -3.174 8.830 -16.969 438 HG12 VAL 56 2HG1 VAL 56 -3.847 10.200 -16.083 439 HG13 VAL 56 3HG1 VAL 56 -3.683 10.278 -17.837 440 HG21 VAL 56 3HG2 VAL 56 -0.824 9.547 -18.397 441 HG22 VAL 56 1HG2 VAL 56 -1.789 10.950 -18.857 442 HG23 VAL 56 2HG2 VAL 56 -0.249 11.173 -18.025 443 H ARG 57 H ARG 57 -1.032 11.677 -13.773 444 HA ARG 57 HA ARG 57 1.537 12.966 -14.395 445 HB2 ARG 57 2HB ARG 57 1.700 13.534 -12.055 446 HB3 ARG 57 3HB ARG 57 0.130 14.049 -12.658 447 HG2 ARG 57 2HG ARG 57 -0.847 11.972 -11.696 448 HG3 ARG 57 3HG ARG 57 0.725 11.633 -10.969 449 HD2 ARG 57 2HD ARG 57 0.611 13.773 -9.767 450 HD3 ARG 57 3HD ARG 57 -0.976 14.074 -10.474 451 HE ARG 57 HE ARG 57 -0.928 11.588 -9.109 452 HH11 ARG 57 1HH1 ARG 57 -1.059 15.027 -8.581 453 HH12 ARG 57 2HH1 ARG 57 -1.888 14.894 -7.065 454 HH21 ARG 57 1HH2 ARG 57 -2.020 11.400 -7.115 455 HH22 ARG 57 2HH2 ARG 57 -2.433 12.831 -6.232 456 H VAL 58 H VAL 58 3.281 12.184 -12.690 457 HA VAL 58 HA VAL 58 4.095 9.648 -13.400 458 HB VAL 58 HB VAL 58 5.643 11.221 -12.412 459 HG11 VAL 58 1HG1 VAL 58 5.043 10.923 -9.631 460 HG12 VAL 58 2HG1 VAL 58 5.167 12.398 -10.591 461 HG13 VAL 58 3HG1 VAL 58 3.627 11.547 -10.476 462 HG21 VAL 58 3HG2 VAL 58 6.878 9.739 -11.003 463 HG22 VAL 58 1HG2 VAL 58 5.418 8.851 -10.566 464 HG23 VAL 58 2HG2 VAL 58 6.049 8.757 -12.210 465 H GLY 59 H GLY 59 3.388 7.678 -12.927 466 HA2 GLY 59 2HA GLY 59 2.904 6.000 -11.252 467 HA3 GLY 59 3HA GLY 59 2.078 7.242 -10.321 468 H ASP 60 H ASP 60 0.678 8.341 -12.624 469 HA ASP 60 HA ASP 60 -1.689 6.882 -12.490 470 HB2 ASP 60 2HB ASP 60 -0.673 8.952 -14.420 471 HB3 ASP 60 3HB ASP 60 -2.245 8.194 -14.654 472 H TYR 61 H TYR 61 -2.841 5.985 -14.481 473 HA TYR 61 HA TYR 61 -0.986 4.348 -16.078 474 HB2 TYR 61 2HB TYR 61 -3.586 3.430 -14.833 475 HB3 TYR 61 3HB TYR 61 -2.573 2.468 -15.903 476 HD1 TYR 61 HD2 TYR 61 -2.873 3.913 -12.542 477 HD2 TYR 61 HD1 TYR 61 -0.524 1.468 -15.112 478 HE1 TYR 61 HE2 TYR 61 -1.599 3.106 -10.599 479 HE2 TYR 61 HE1 TYR 61 0.755 0.652 -13.176 480 HH TYR 61 HH TYR 61 0.723 0.504 -10.878 481 H LEU 62 H LEU 62 -1.788 3.659 -18.138 482 HA LEU 62 HA LEU 62 -4.256 4.791 -19.130 483 HB2 LEU 62 2HB LEU 62 -2.901 5.827 -21.084 484 HB3 LEU 62 3HB LEU 62 -3.091 6.719 -19.576 485 HG LEU 62 HG LEU 62 -0.660 5.038 -19.907 486 HD11 LEU 62 1HD1 LEU 62 -1.406 7.142 -21.740 487 HD12 LEU 62 2HD1 LEU 62 -0.027 6.044 -21.783 488 HD13 LEU 62 3HD1 LEU 62 0.069 7.543 -20.859 489 HD21 LEU 62 3HD2 LEU 62 -0.731 6.077 -17.842 490 HD22 LEU 62 1HD2 LEU 62 -1.460 7.547 -18.489 491 HD23 LEU 62 2HD2 LEU 62 0.242 7.200 -18.793 492 H GLY 63 H GLY 63 -4.816 4.021 -21.257 493 HA2 GLY 63 2HA GLY 63 -4.848 2.489 -22.978 494 HA3 GLY 63 3HA GLY 63 -3.154 2.160 -22.645 495 H ARG 64 H ARG 64 -4.632 0.065 -23.372 496 HA ARG 64 HA ARG 64 -5.729 -1.278 -21.056 497 HB2 ARG 64 2HB ARG 64 -5.298 -2.193 -23.904 498 HB3 ARG 64 3HB ARG 64 -6.061 -3.171 -22.658 499 HG2 ARG 64 2HG ARG 64 -7.932 -1.771 -22.542 500 HG3 ARG 64 3HG ARG 64 -7.109 -0.459 -23.388 501 HD2 ARG 64 2HD ARG 64 -7.880 -1.210 -25.329 502 HD3 ARG 64 3HD ARG 64 -7.082 -2.759 -25.059 503 HE ARG 64 HE ARG 64 -9.874 -2.170 -24.742 504 HH11 ARG 64 1HH1 ARG 64 -7.264 -4.255 -23.762 505 HH12 ARG 64 2HH1 ARG 64 -8.305 -5.570 -23.327 506 HH21 ARG 64 1HH2 ARG 64 -11.255 -3.894 -24.172 507 HH22 ARG 64 2HH2 ARG 64 -10.574 -5.364 -23.561 508 H ASN 65 H ASN 65 -2.668 -0.782 -22.251 509 HA ASN 65 HA ASN 65 -1.627 -3.381 -21.419 510 HB2 ASN 65 2HB ASN 65 -0.270 -1.002 -22.705 511 HB3 ASN 65 3HB ASN 65 0.544 -2.506 -22.284 512 HD21 ASN 65 1HD2 ASN 65 -1.252 -4.389 -23.033 513 HD22 ASN 65 2HD2 ASN 65 -1.502 -4.329 -24.741 514 H ASP 66 H ASP 66 -2.730 -1.260 -19.582 515 HA ASP 66 HA ASP 66 -2.259 -0.298 -17.570 516 HB2 ASP 66 2HB ASP 66 -0.478 -2.711 -17.637 517 HB3 ASP 66 3HB ASP 66 -0.414 -1.607 -16.266 518 H GLY 67 H GLY 67 -1.065 1.019 -19.708 519 HA2 GLY 67 2HA GLY 67 1.688 1.489 -19.458 520 HA3 GLY 67 3HA GLY 67 0.529 2.605 -20.164 521 H LYS 68 H LYS 68 2.404 1.804 -17.381 522 HA LYS 68 HA LYS 68 1.197 3.903 -15.762 523 HB2 LYS 68 2HB LYS 68 1.873 1.715 -14.764 524 HB3 LYS 68 3HB LYS 68 3.549 2.115 -15.118 525 HG2 LYS 68 2HG LYS 68 3.221 4.183 -13.705 526 HG3 LYS 68 3HG LYS 68 1.688 3.474 -13.191 527 HD2 LYS 68 2HD LYS 68 3.335 2.915 -11.553 528 HD3 LYS 68 3HD LYS 68 2.965 1.448 -12.463 529 HE2 LYS 68 2HE LYS 68 4.981 1.606 -13.703 530 HE3 LYS 68 3HE LYS 68 5.286 3.244 -13.129 531 HZ1 LYS 68 3HZ LYS 68 6.594 2.213 -11.654 532 HZ2 LYS 68 1HZ LYS 68 5.843 0.711 -11.858 533 HZ3 LYS 68 2HZ LYS 68 5.157 1.867 -10.831 534 H VAL 69 H VAL 69 2.030 5.883 -15.470 535 HA VAL 69 HA VAL 69 4.172 6.769 -17.142 536 HB VAL 69 HB VAL 69 2.732 8.230 -14.923 537 HG11 VAL 69 1HG1 VAL 69 4.577 9.220 -17.091 538 HG12 VAL 69 2HG1 VAL 69 3.567 10.265 -16.090 539 HG13 VAL 69 3HG1 VAL 69 4.839 9.293 -15.349 540 HG21 VAL 69 3HG2 VAL 69 1.030 8.503 -16.327 541 HG22 VAL 69 1HG2 VAL 69 2.111 9.130 -17.571 542 HG23 VAL 69 2HG2 VAL 69 1.818 7.395 -17.450 543 H VAL 70 H VAL 70 6.272 6.756 -16.709 544 HA VAL 70 HA VAL 70 7.127 6.589 -13.892 545 HB VAL 70 HB VAL 70 9.026 5.280 -14.547 546 HG11 VAL 70 1HG1 VAL 70 7.903 3.272 -15.514 547 HG12 VAL 70 2HG1 VAL 70 7.057 3.982 -14.138 548 HG13 VAL 70 3HG1 VAL 70 6.469 4.264 -15.777 549 HG21 VAL 70 3HG2 VAL 70 8.844 4.517 -17.129 550 HG22 VAL 70 1HG2 VAL 70 8.266 6.179 -17.247 551 HG23 VAL 70 2HG2 VAL 70 9.859 5.846 -16.567 552 H GLY 71 H GLY 71 7.595 8.081 -17.009 553 HA2 GLY 71 2HA GLY 71 9.320 10.082 -15.723 554 HA3 GLY 71 3HA GLY 71 9.869 9.319 -17.208 555 H ILE 72 H ILE 72 9.075 12.145 -16.444 556 HA ILE 72 HA ILE 72 7.276 12.572 -18.733 557 HB ILE 72 HB ILE 72 7.167 14.043 -16.097 558 HG12 ILE 72 2HG1 ILE 72 4.969 12.458 -17.417 559 HG13 ILE 72 3HG1 ILE 72 6.114 11.713 -16.307 560 HG21 ILE 72 1HG2 ILE 72 6.401 14.853 -18.738 561 HG22 ILE 72 2HG2 ILE 72 4.975 14.718 -17.711 562 HG23 ILE 72 3HG2 ILE 72 6.316 15.755 -17.225 563 HD11 ILE 72 3HD1 ILE 72 5.168 12.649 -14.498 564 HD12 ILE 72 1HD1 ILE 72 4.794 14.155 -15.336 565 HD13 ILE 72 2HD1 ILE 72 3.759 12.743 -15.555 566 H SER 73 H SER 73 8.565 13.451 -20.225 567 HA SER 73 HA SER 73 10.545 15.454 -19.403 568 HB2 SER 73 2HB SER 73 10.358 14.398 -22.200 569 HB3 SER 73 3HB SER 73 11.778 14.926 -21.296 570 HG SER 73 HG SER 73 10.294 12.539 -20.889 571 H GLU 74 H GLU 74 10.874 16.897 -21.681 572 HA GLU 74 HA GLU 74 8.423 18.478 -21.721 573 HB2 GLU 74 2HB GLU 74 9.812 20.219 -22.767 574 HB3 GLU 74 3HB GLU 74 10.495 19.661 -21.246 575 HG2 GLU 74 2HG GLU 74 12.160 18.386 -22.369 576 HG3 GLU 74 3HG GLU 74 11.391 18.654 -23.932 577 H GLY 75 H GLY 75 10.184 16.291 -23.690 578 HA2 GLY 75 2HA GLY 75 8.379 16.915 -25.942 579 HA3 GLY 75 3HA GLY 75 10.084 16.583 -26.209 580 H LYS 76 H LYS 76 8.758 14.759 -23.683 581 HA LYS 76 HA LYS 76 7.612 12.630 -25.163 582 HB2 LYS 76 2HB LYS 76 9.414 10.960 -24.796 583 HB3 LYS 76 3HB LYS 76 9.864 12.227 -25.930 584 HG2 LYS 76 2HG LYS 76 10.585 12.563 -23.065 585 HG3 LYS 76 3HG LYS 76 11.510 11.426 -24.048 586 HD2 LYS 76 2HD LYS 76 11.678 13.380 -25.732 587 HD3 LYS 76 3HD LYS 76 11.213 14.393 -24.363 588 HE2 LYS 76 2HE LYS 76 13.123 13.644 -23.102 589 HE3 LYS 76 3HE LYS 76 13.545 12.481 -24.358 590 HZ1 LYS 76 3HZ LYS 76 14.597 14.041 -25.517 591 HZ2 LYS 76 1HZ LYS 76 14.495 15.025 -24.145 592 HZ3 LYS 76 2HZ LYS 76 13.330 15.151 -25.364 593 H ILE 77 H ILE 77 7.008 10.824 -23.815 594 HA ILE 77 HA ILE 77 7.252 11.352 -20.929 595 HB ILE 77 HB ILE 77 4.737 10.493 -22.365 596 HG12 ILE 77 2HG1 ILE 77 4.966 12.943 -20.667 597 HG13 ILE 77 3HG1 ILE 77 5.601 12.990 -22.308 598 HG21 ILE 77 1HG2 ILE 77 4.233 11.197 -19.680 599 HG22 ILE 77 2HG2 ILE 77 4.069 9.616 -20.441 600 HG23 ILE 77 3HG2 ILE 77 5.590 10.072 -19.676 601 HD11 ILE 77 3HD1 ILE 77 3.496 12.654 -23.252 602 HD12 ILE 77 1HD1 ILE 77 2.806 12.084 -21.732 603 HD13 ILE 77 2HD1 ILE 77 3.215 13.789 -21.931 604 H ASP 78 H ASP 78 8.413 9.726 -20.137 605 HA ASP 78 HA ASP 78 8.484 7.133 -21.353 606 HB2 ASP 78 2HB ASP 78 9.775 8.424 -18.990 607 HB3 ASP 78 3HB ASP 78 9.756 6.665 -19.075 608 H VAL 79 H VAL 79 7.314 5.377 -20.892 609 HA VAL 79 HA VAL 79 5.914 5.172 -18.342 610 HB VAL 79 HB VAL 79 3.757 4.787 -19.271 611 HG11 VAL 79 1HG1 VAL 79 3.182 6.933 -20.040 612 HG12 VAL 79 2HG1 VAL 79 4.612 7.176 -19.034 613 HG13 VAL 79 3HG1 VAL 79 4.757 7.177 -20.792 614 HG21 VAL 79 3HG2 VAL 79 3.637 3.792 -21.263 615 HG22 VAL 79 1HG2 VAL 79 3.872 5.388 -21.976 616 HG23 VAL 79 2HG2 VAL 79 5.257 4.329 -21.708 617 H ILE 80 H ILE 80 5.207 3.042 -17.843 618 HA ILE 80 HA ILE 80 6.664 0.984 -19.348 619 HB ILE 80 HB ILE 80 5.913 1.292 -16.493 620 HG12 ILE 80 2HG1 ILE 80 8.221 1.637 -17.443 621 HG13 ILE 80 3HG1 ILE 80 8.134 0.477 -16.122 622 HG21 ILE 80 1HG2 ILE 80 6.284 -1.205 -16.203 623 HG22 ILE 80 2HG2 ILE 80 4.725 -0.704 -16.857 624 HG23 ILE 80 3HG2 ILE 80 5.968 -1.344 -17.932 625 HD11 ILE 80 3HD1 ILE 80 8.145 -0.302 -19.024 626 HD12 ILE 80 1HD1 ILE 80 9.596 -0.191 -18.027 627 HD13 ILE 80 2HD1 ILE 80 8.333 -1.355 -17.622 628 H GLU 81 H GLU 81 5.574 -0.396 -20.573 629 HA GLU 81 HA GLU 81 2.675 -0.659 -20.153 630 HB2 GLU 81 2HB GLU 81 4.377 -1.083 -22.609 631 HB3 GLU 81 3HB GLU 81 2.679 -1.528 -22.521 632 HG2 GLU 81 2HG GLU 81 2.049 0.542 -22.975 633 HG3 GLU 81 3HG GLU 81 3.031 1.184 -21.659 634 H ILE 82 H ILE 82 1.786 -2.839 -20.864 635 HA ILE 82 HA ILE 82 3.558 -4.981 -19.879 636 HB ILE 82 HB ILE 82 0.552 -4.943 -19.629 637 HG12 ILE 82 2HG1 ILE 82 1.480 -3.126 -18.289 638 HG13 ILE 82 3HG1 ILE 82 0.919 -4.425 -17.243 639 HG21 ILE 82 1HG2 ILE 82 2.053 -6.569 -17.761 640 HG22 ILE 82 2HG2 ILE 82 0.722 -7.014 -18.829 641 HG23 ILE 82 3HG2 ILE 82 2.378 -7.017 -19.436 642 HD11 ILE 82 3HD1 ILE 82 3.453 -3.208 -17.310 643 HD12 ILE 82 1HD1 ILE 82 2.912 -4.551 -16.304 644 HD13 ILE 82 2HD1 ILE 82 3.660 -4.867 -17.869 645 H VAL 83 H VAL 83 3.764 -6.784 -21.083 646 HA VAL 83 HA VAL 83 1.932 -7.190 -23.342 647 HB VAL 83 HB VAL 83 3.883 -6.078 -24.274 648 HG11 VAL 83 1HG1 VAL 83 6.108 -7.067 -24.141 649 HG12 VAL 83 2HG1 VAL 83 5.496 -6.678 -22.532 650 HG13 VAL 83 3HG1 VAL 83 5.487 -8.348 -23.101 651 HG21 VAL 83 3HG2 VAL 83 3.732 -9.023 -24.903 652 HG22 VAL 83 1HG2 VAL 83 2.836 -7.716 -25.679 653 HG23 VAL 83 2HG2 VAL 83 4.583 -7.837 -25.893 654 HA PRO 84 HA PRO 84 1.921 -11.313 -21.738 655 HB2 PRO 84 2HB PRO 84 0.635 -12.491 -23.819 656 HB3 PRO 84 3HB PRO 84 -0.191 -11.479 -22.628 657 HG2 PRO 84 2HG PRO 84 0.770 -10.774 -25.375 658 HG3 PRO 84 3HG PRO 84 -0.760 -10.354 -24.582 659 HD2 PRO 84 2HD PRO 84 1.310 -8.618 -24.765 660 HD3 PRO 84 3HD PRO 84 0.187 -8.623 -23.390 661 H ASP 85 H ASP 85 3.065 -13.207 -21.978 662 HA ASP 85 HA ASP 85 5.187 -13.157 -23.972 663 HB2 ASP 85 2HB ASP 85 5.882 -13.591 -21.702 664 HB3 ASP 85 3HB ASP 85 4.722 -14.909 -21.553 665 H GLY 86 H GLY 86 2.247 -14.845 -23.263 666 HA2 GLY 86 2HA GLY 86 1.251 -15.924 -25.272 667 HA3 GLY 86 3HA GLY 86 2.814 -16.694 -25.499 668 H GLU 87 H GLU 87 3.336 -17.384 -22.813 669 HA GLU 87 HA GLU 87 1.659 -19.729 -22.614 670 HB2 GLU 87 2HB GLU 87 3.830 -18.935 -20.683 671 HB3 GLU 87 3HB GLU 87 3.229 -20.548 -21.043 672 HG2 GLU 87 2HG GLU 87 4.108 -19.856 -23.474 673 HG3 GLU 87 3HG GLU 87 5.199 -18.893 -22.480 674 H GLY 88 H GLY 88 1.956 -16.644 -21.064 675 HA2 GLY 88 2HA GLY 88 -0.361 -16.235 -19.941 676 HA3 GLY 88 3HA GLY 88 0.216 -17.492 -18.858 677 H ASN 89 H ASN 89 3.002 -16.190 -19.488 678 HA ASN 89 HA ASN 89 2.899 -14.421 -17.180 679 HB2 ASN 89 2HB ASN 89 5.405 -15.036 -18.710 680 HB3 ASN 89 3HB ASN 89 5.205 -14.711 -16.991 681 HD21 ASN 89 1HD2 ASN 89 5.791 -17.055 -19.218 682 HD22 ASN 89 2HD2 ASN 89 5.334 -18.445 -18.300 683 H TRP 90 H TRP 90 3.228 -12.259 -17.221 684 HA TRP 90 HA TRP 90 3.308 -10.996 -19.861 685 HB2 TRP 90 2HB TRP 90 2.649 -9.804 -17.159 686 HB3 TRP 90 3HB TRP 90 2.529 -8.973 -18.707 687 HD1 TRP 90 HD1 TRP 90 0.901 -11.924 -16.813 688 HE1 TRP 90 HE1 TRP 90 -1.503 -12.205 -17.688 689 HE3 TRP 90 HE3 TRP 90 0.987 -8.440 -20.554 690 HZ2 TRP 90 HZ2 TRP 90 -3.145 -11.097 -19.699 691 HZ3 TRP 90 HZ3 TRP 90 -1.041 -8.113 -21.907 692 HH2 TRP 90 HH2 TRP 90 -3.064 -9.415 -21.487 693 H LEU 91 H LEU 91 4.581 -8.982 -20.088 694 HA LEU 91 HA LEU 91 6.987 -8.934 -18.406 695 HB2 LEU 91 2HB LEU 91 6.793 -9.404 -21.318 696 HB3 LEU 91 3HB LEU 91 8.067 -8.311 -20.780 697 HG LEU 91 HG LEU 91 8.930 -10.559 -21.052 698 HD11 LEU 91 1HD1 LEU 91 10.182 -10.580 -19.145 699 HD12 LEU 91 2HD1 LEU 91 8.797 -10.279 -18.096 700 HD13 LEU 91 3HD1 LEU 91 9.496 -8.959 -19.033 701 HD21 LEU 91 3HD2 LEU 91 6.477 -11.408 -20.211 702 HD22 LEU 91 1HD2 LEU 91 7.477 -11.721 -18.793 703 HD23 LEU 91 2HD2 LEU 91 7.911 -12.427 -20.350 704 H GLU 92 H GLU 92 8.118 -6.920 -18.395 705 HA GLU 92 HA GLU 92 6.337 -4.661 -18.707 706 HB2 GLU 92 2HB GLU 92 9.206 -4.646 -17.766 707 HB3 GLU 92 3HB GLU 92 7.995 -3.397 -17.511 708 HG2 GLU 92 2HG GLU 92 6.703 -5.320 -16.299 709 HG3 GLU 92 3HG GLU 92 8.309 -6.035 -16.172 710 H ARG 93 H ARG 93 6.579 -2.956 -20.098 711 HA ARG 93 HA ARG 93 8.717 -3.183 -22.112 712 HB2 ARG 93 2HB ARG 93 5.776 -2.704 -22.485 713 HB3 ARG 93 3HB ARG 93 6.934 -2.113 -23.669 714 HG2 ARG 93 2HG ARG 93 7.778 -4.430 -23.925 715 HG3 ARG 93 3HG ARG 93 6.494 -4.973 -22.843 716 HD2 ARG 93 2HD ARG 93 6.243 -3.744 -25.573 717 HD3 ARG 93 3HD ARG 93 5.686 -5.326 -25.031 718 HE ARG 93 HE ARG 93 4.304 -3.577 -23.474 719 HH11 ARG 93 1HH1 ARG 93 4.736 -3.962 -26.907 720 HH12 ARG 93 2HH1 ARG 93 3.175 -3.325 -27.307 721 HH21 ARG 93 1HH2 ARG 93 2.247 -2.736 -23.987 722 HH22 ARG 93 2HH2 ARG 93 1.761 -2.627 -25.645 723 HA PRO 94 HA PRO 94 9.120 0.963 -20.225 724 HB2 PRO 94 2HB PRO 94 11.797 1.118 -20.648 725 HB3 PRO 94 3HB PRO 94 11.091 0.290 -19.254 726 HG2 PRO 94 2HG PRO 94 12.115 -0.860 -21.821 727 HG3 PRO 94 3HG PRO 94 12.345 -1.444 -20.163 728 HD2 PRO 94 2HD PRO 94 10.525 -2.528 -21.850 729 HD3 PRO 94 3HD PRO 94 10.271 -2.447 -20.095 730 H ARG 95 H ARG 95 7.986 1.994 -21.905 731 HA ARG 95 HA ARG 95 9.662 2.815 -24.186 732 HB2 ARG 95 2HB ARG 95 6.662 2.437 -24.168 733 HB3 ARG 95 3HB ARG 95 7.624 2.975 -25.538 734 HG2 ARG 95 2HG ARG 95 8.211 0.350 -24.242 735 HG3 ARG 95 3HG ARG 95 6.871 0.502 -25.382 736 HD2 ARG 95 2HD ARG 95 8.574 -0.090 -26.800 737 HD3 ARG 95 3HD ARG 95 8.681 1.668 -26.875 738 HE ARG 95 HE ARG 95 10.353 0.836 -24.822 739 HH11 ARG 95 1HH1 ARG 95 10.099 0.458 -28.273 740 HH12 ARG 95 2HH1 ARG 95 11.806 0.285 -28.511 741 HH21 ARG 95 1HH2 ARG 95 12.603 0.609 -25.122 742 HH22 ARG 95 2HH2 ARG 95 13.229 0.370 -26.718 743 H SER 96 H SER 96 8.288 4.821 -25.253 744 HA SER 96 HA SER 96 7.439 6.671 -23.176 745 HB2 SER 96 2HB SER 96 9.835 7.035 -23.173 746 HB3 SER 96 3HB SER 96 9.852 7.187 -24.930 747 HG SER 96 HG SER 96 9.557 9.114 -23.202 748 H LEU 97 H LEU 97 6.496 8.638 -24.042 749 HA LEU 97 HA LEU 97 5.501 8.260 -26.789 750 HB2 LEU 97 2HB LEU 97 4.073 9.934 -24.774 751 HB3 LEU 97 3HB LEU 97 3.432 9.083 -26.178 752 HG LEU 97 HG LEU 97 4.223 7.894 -23.524 753 HD11 LEU 97 1HD1 LEU 97 1.611 8.278 -24.960 754 HD12 LEU 97 2HD1 LEU 97 2.084 8.879 -23.372 755 HD13 LEU 97 3HD1 LEU 97 1.810 7.155 -23.615 756 HD21 LEU 97 3HD2 LEU 97 3.828 6.660 -26.186 757 HD22 LEU 97 1HD2 LEU 97 3.093 5.847 -24.805 758 HD23 LEU 97 2HD2 LEU 97 4.831 6.142 -24.830 759 H THR 98 H THR 98 6.881 9.500 -27.962 760 HA THR 98 HA THR 98 7.723 12.106 -27.081 761 HB THR 98 HB THR 98 8.893 12.272 -29.200 762 HG1 THR 98 HG1 THR 98 8.320 11.115 -30.892 763 HG21 THR 98 3HG2 THR 98 10.422 11.024 -28.157 764 HG22 THR 98 1HG2 THR 98 9.757 9.627 -29.001 765 HG23 THR 98 2HG2 THR 98 9.180 10.038 -27.386 766 H LEU 99 H LEU 99 7.252 14.097 -28.117 767 HA LEU 99 HA LEU 99 4.580 14.625 -28.590 768 HB2 LEU 99 2HB LEU 99 6.744 16.152 -28.250 769 HB3 LEU 99 3HB LEU 99 6.564 16.318 -29.996 770 HG LEU 99 HG LEU 99 4.218 17.102 -29.588 771 HD11 LEU 99 1HD1 LEU 99 5.140 16.809 -26.762 772 HD12 LEU 99 2HD1 LEU 99 3.602 16.354 -27.493 773 HD13 LEU 99 3HD1 LEU 99 3.965 18.052 -27.189 774 HD21 LEU 99 3HD2 LEU 99 4.913 19.350 -28.816 775 HD22 LEU 99 1HD2 LEU 99 5.961 18.692 -30.073 776 HD23 LEU 99 2HD2 LEU 99 6.490 18.682 -28.391 777 H LYS 100 H LYS 100 3.308 13.916 -30.159 778 HA LYS 100 HA LYS 100 4.217 12.773 -32.564 779 HB2 LYS 100 2HB LYS 100 1.900 12.643 -31.262 780 HB3 LYS 100 3HB LYS 100 1.462 13.900 -32.411 781 HG2 LYS 100 2HG LYS 100 2.747 11.428 -33.446 782 HG3 LYS 100 3HG LYS 100 1.059 11.355 -32.933 783 HD2 LYS 100 2HD LYS 100 0.857 13.526 -34.402 784 HD3 LYS 100 3HD LYS 100 2.304 12.877 -35.176 785 HE2 LYS 100 2HE LYS 100 1.111 10.767 -35.591 786 HE3 LYS 100 3HE LYS 100 -0.336 11.451 -34.851 787 HZ1 LYS 100 3HZ LYS 100 0.081 13.298 -36.644 788 HZ2 LYS 100 1HZ LYS 100 -0.750 11.876 -37.033 789 HZ3 LYS 100 2HZ LYS 100 0.882 12.042 -37.447 790 H GLU 101 H GLU 101 4.302 13.532 -34.656 791 HA GLU 101 HA GLU 101 4.359 16.451 -34.915 792 HB2 GLU 101 2HB GLU 101 6.295 14.799 -35.582 793 HB3 GLU 101 3HB GLU 101 5.343 14.597 -37.046 794 HG2 GLU 101 2HG GLU 101 6.109 17.315 -36.053 795 HG3 GLU 101 3HG GLU 101 7.208 16.348 -37.035 796 H ARG 102 H ARG 102 2.905 17.522 -36.093 797 HA ARG 102 HA ARG 102 0.554 16.361 -37.015 798 HB2 ARG 102 2HB ARG 102 1.113 18.840 -36.517 799 HB3 ARG 102 3HB ARG 102 1.639 18.903 -38.194 800 HG2 ARG 102 2HG ARG 102 -0.581 19.678 -38.173 801 HG3 ARG 102 3HG ARG 102 -0.647 18.035 -38.815 802 HD2 ARG 102 2HD ARG 102 -1.059 17.380 -36.326 803 HD3 ARG 102 3HD ARG 102 -1.525 19.071 -36.153 804 HE ARG 102 HE ARG 102 -3.015 16.995 -37.444 805 HH11 ARG 102 1HH1 ARG 102 -2.407 20.422 -37.370 806 HH12 ARG 102 2HH1 ARG 102 -3.948 20.842 -38.042 807 HH21 ARG 102 1HH2 ARG 102 -5.047 17.535 -38.329 808 HH22 ARG 102 2HH2 ARG 102 -5.449 19.199 -38.586 809 H SER 103 H SER 103 0.493 14.817 -38.524 810 HA SER 103 HA SER 103 1.395 15.450 -41.202 811 HB2 SER 103 2HB SER 103 2.784 13.503 -41.491 812 HB3 SER 103 3HB SER 103 3.369 14.376 -40.075 813 HG SER 103 HG SER 103 3.061 11.995 -39.912 814 H LEU 104 H LEU 104 0.890 13.438 -42.668 815 HA LEU 104 HA LEU 104 -1.849 12.640 -42.003 816 HB2 LEU 104 2HB LEU 104 -0.315 12.877 -44.565 817 HB3 LEU 104 3HB LEU 104 -1.796 11.924 -44.484 818 HG LEU 104 HG LEU 104 -1.804 14.779 -43.588 819 HD11 LEU 104 1HD1 LEU 104 -2.207 13.902 -46.440 820 HD12 LEU 104 2HD1 LEU 104 -0.739 14.672 -45.840 821 HD13 LEU 104 3HD1 LEU 104 -2.271 15.545 -45.801 822 HD21 LEU 104 3HD2 LEU 104 -3.716 12.675 -43.997 823 HD22 LEU 104 1HD2 LEU 104 -4.103 14.061 -45.017 824 HD23 LEU 104 2HD2 LEU 104 -3.941 14.268 -43.273 825 H GLU 105 H GLU 105 -2.484 10.545 -41.837 826 HA GLU 105 HA GLU 105 -1.039 8.324 -42.793 827 HB2 GLU 105 2HB GLU 105 -0.225 7.393 -40.674 828 HB3 GLU 105 3HB GLU 105 0.561 8.920 -41.048 829 HG2 GLU 105 2HG GLU 105 -0.705 10.078 -39.422 830 HG3 GLU 105 3HG GLU 105 -1.798 8.713 -39.203 831 H HIS 106 H HIS 106 -2.044 6.307 -42.269 832 HA HIS 106 HA HIS 106 -4.804 6.654 -41.322 833 HB2 HIS 106 2HB HIS 106 -5.272 4.545 -42.546 834 HB3 HIS 106 3HB HIS 106 -4.655 5.819 -43.594 835 HD1 HIS 106 HD1 HIS 106 -3.163 2.912 -41.629 836 HD2 HIS 106 HD2 HIS 106 -2.741 4.900 -45.253 837 HE1 HIS 106 HE1 HIS 106 -1.362 1.672 -42.870 838 H HIS 107 H HIS 107 -5.751 4.647 -40.274 839 HA HIS 107 HA HIS 107 -3.818 3.128 -38.700 840 HB2 HIS 107 2HB HIS 107 -5.737 5.133 -37.615 841 HB3 HIS 107 3HB HIS 107 -5.498 3.649 -36.698 842 HD1 HIS 107 HD1 HIS 107 -4.198 6.955 -36.994 843 HD2 HIS 107 HD2 HIS 107 -2.551 3.219 -36.224 844 HE1 HIS 107 HE1 HIS 107 -1.970 7.410 -35.919 845 H HIS 108 H HIS 108 -5.166 1.579 -37.177 846 HA HIS 108 HA HIS 108 -7.365 0.468 -38.794 847 HB2 HIS 108 2HB HIS 108 -5.029 -0.855 -37.480 848 HB3 HIS 108 3HB HIS 108 -6.546 -1.742 -37.600 849 HD1 HIS 108 HD1 HIS 108 -4.325 -2.965 -39.102 850 HD2 HIS 108 HD2 HIS 108 -6.675 0.034 -40.757 851 HE1 HIS 108 HE1 HIS 108 -4.074 -3.212 -41.592 852 H HIS 109 H HIS 109 -8.948 -0.810 -37.588 853 HA HIS 109 HA HIS 109 -9.181 0.027 -34.774 854 HB2 HIS 109 2HB HIS 109 -11.544 0.392 -35.044 855 HB3 HIS 109 3HB HIS 109 -10.704 1.319 -36.283 856 HD1 HIS 109 HD1 HIS 109 -13.578 -0.656 -35.942 857 HD2 HIS 109 HD2 HIS 109 -10.566 -0.467 -38.797 858 HE1 HIS 109 HE1 HIS 109 -14.550 -1.697 -38.015 859 H HIS 110 H HIS 110 -10.173 -1.432 -33.360 860 HA HIS 110 HA HIS 110 -9.984 -4.201 -34.201 861 HB2 HIS 110 2HB HIS 110 -10.533 -2.959 -31.499 862 HB3 HIS 110 3HB HIS 110 -10.367 -4.689 -31.786 863 HD1 HIS 110 HD1 HIS 110 -8.399 -1.562 -31.414 864 HD2 HIS 110 HD2 HIS 110 -7.730 -5.557 -32.337 865 HE1 HIS 110 HE1 HIS 110 -5.911 -1.887 -31.234 866 H HIS 111 H HIS 111 -12.426 -2.301 -32.418 867 HA HIS 111 HA HIS 111 -14.505 -3.889 -33.770 868 HB2 HIS 111 2HB HIS 111 -14.122 -4.509 -31.333 869 HB3 HIS 111 3HB HIS 111 -14.726 -2.906 -30.925 870 HD1 HIS 111 HD1 HIS 111 -16.577 -4.439 -29.643 871 HD2 HIS 111 HD2 HIS 111 -16.740 -4.366 -33.794 872 HE1 HIS 111 HE1 HIS 111 -18.873 -5.272 -30.241 Start of MODEL 13 1 H1 ASP 1 H ASP 1 -17.169 -19.770 -32.774 2 HA ASP 1 HA ASP 1 -14.751 -20.639 -33.387 3 HB2 ASP 1 2HB ASP 1 -14.137 -18.205 -34.026 4 HB3 ASP 1 3HB ASP 1 -15.553 -18.938 -34.775 5 H LEU 2 H LEU 2 -14.931 -20.697 -30.511 6 HA LEU 2 HA LEU 2 -12.675 -18.993 -29.713 7 HB2 LEU 2 2HB LEU 2 -14.910 -20.301 -28.233 8 HB3 LEU 2 3HB LEU 2 -13.404 -19.955 -27.385 9 HG LEU 2 HG LEU 2 -15.070 -18.211 -27.010 10 HD11 LEU 2 1HD1 LEU 2 -12.421 -17.860 -27.785 11 HD12 LEU 2 2HD1 LEU 2 -13.429 -16.720 -26.894 12 HD13 LEU 2 3HD1 LEU 2 -13.318 -16.613 -28.651 13 HD21 LEU 2 3HD2 LEU 2 -15.932 -18.625 -29.500 14 HD22 LEU 2 1HD2 LEU 2 -14.884 -17.238 -29.800 15 HD23 LEU 2 2HD2 LEU 2 -16.204 -17.111 -28.637 16 H THR 3 H THR 3 -10.769 -19.839 -29.052 17 HA THR 3 HA THR 3 -10.548 -22.725 -28.637 18 HB THR 3 HB THR 3 -8.524 -22.835 -30.080 19 HG1 THR 3 HG1 THR 3 -7.888 -21.119 -31.214 20 HG21 THR 3 3HG2 THR 3 -10.862 -21.902 -31.722 21 HG22 THR 3 1HG2 THR 3 -10.903 -23.422 -30.831 22 HG23 THR 3 2HG2 THR 3 -9.694 -23.170 -32.090 23 H VAL 4 H VAL 4 -9.757 -22.813 -26.634 24 HA VAL 4 HA VAL 4 -7.717 -20.873 -25.809 25 HB VAL 4 HB VAL 4 -9.244 -22.828 -24.086 26 HG11 VAL 4 1HG1 VAL 4 -7.146 -20.805 -23.577 27 HG12 VAL 4 2HG1 VAL 4 -8.467 -20.898 -22.410 28 HG13 VAL 4 3HG1 VAL 4 -7.484 -22.324 -22.748 29 HG21 VAL 4 3HG2 VAL 4 -10.607 -20.932 -23.400 30 HG22 VAL 4 1HG2 VAL 4 -9.731 -19.881 -24.512 31 HG23 VAL 4 2HG2 VAL 4 -10.737 -21.187 -25.140 32 H ARG 5 H ARG 5 -5.670 -21.480 -25.986 33 HA ARG 5 HA ARG 5 -4.999 -24.312 -25.521 34 HB2 ARG 5 2HB ARG 5 -4.794 -23.412 -27.928 35 HB3 ARG 5 3HB ARG 5 -3.408 -22.509 -27.329 36 HG2 ARG 5 2HG ARG 5 -2.452 -24.421 -28.208 37 HG3 ARG 5 3HG ARG 5 -2.563 -24.791 -26.486 38 HD2 ARG 5 2HD ARG 5 -3.361 -26.726 -27.494 39 HD3 ARG 5 3HD ARG 5 -4.835 -25.848 -27.087 40 HE ARG 5 HE ARG 5 -5.293 -25.667 -29.319 41 HH11 ARG 5 1HH1 ARG 5 -1.935 -26.490 -28.918 42 HH12 ARG 5 2HH1 ARG 5 -1.657 -26.733 -30.611 43 HH21 ARG 5 1HH2 ARG 5 -4.941 -25.982 -31.550 44 HH22 ARG 5 2HH2 ARG 5 -3.367 -26.443 -32.107 45 H GLN 6 H GLN 6 -4.735 -23.596 -23.278 46 HA GLN 6 HA GLN 6 -1.990 -22.815 -22.789 47 HB2 GLN 6 2HB GLN 6 -4.331 -21.103 -22.046 48 HB3 GLN 6 3HB GLN 6 -2.925 -21.148 -20.989 49 HG2 GLN 6 2HG GLN 6 -2.331 -19.397 -22.289 50 HG3 GLN 6 3HG GLN 6 -1.660 -20.699 -23.270 51 HE21 GLN 6 1HE2 GLN 6 -1.972 -18.634 -24.705 52 HE22 GLN 6 2HE2 GLN 6 -3.415 -18.641 -25.655 53 H LYS 7 H LYS 7 -1.174 -23.746 -20.987 54 HA LYS 7 HA LYS 7 -2.967 -24.773 -18.936 55 HB2 LYS 7 2HB LYS 7 -1.824 -27.024 -19.048 56 HB3 LYS 7 3HB LYS 7 -2.925 -26.667 -20.372 57 HG2 LYS 7 2HG LYS 7 -0.064 -25.992 -20.748 58 HG3 LYS 7 3HG LYS 7 -0.519 -27.697 -20.767 59 HD2 LYS 7 2HD LYS 7 -2.130 -25.781 -22.379 60 HD3 LYS 7 3HD LYS 7 -0.531 -26.239 -22.971 61 HE2 LYS 7 2HE LYS 7 -2.748 -28.150 -22.239 62 HE3 LYS 7 3HE LYS 7 -2.304 -27.677 -23.878 63 HZ1 LYS 7 3HZ LYS 7 -0.017 -28.585 -22.504 64 HZ2 LYS 7 1HZ LYS 7 -0.741 -29.223 -23.894 65 HZ3 LYS 7 2HZ LYS 7 -1.240 -29.745 -22.365 66 H GLY 8 H GLY 8 -2.040 -24.890 -16.933 67 HA2 GLY 8 2HA GLY 8 -0.467 -24.626 -15.278 68 HA3 GLY 8 3HA GLY 8 0.757 -25.026 -16.475 69 H ASN 9 H ASN 9 -0.180 -22.707 -14.379 70 HA ASN 9 HA ASN 9 1.252 -20.638 -15.889 71 HB2 ASN 9 2HB ASN 9 -0.353 -18.945 -14.898 72 HB3 ASN 9 3HB ASN 9 -1.023 -19.979 -16.156 73 HD21 ASN 9 1HD2 ASN 9 -1.524 -18.720 -13.145 74 HD22 ASN 9 2HD2 ASN 9 -2.738 -19.813 -12.582 75 H LYS 10 H LYS 10 3.078 -21.084 -14.619 76 HA LYS 10 HA LYS 10 2.840 -20.548 -11.743 77 HB2 LYS 10 2HB LYS 10 4.083 -22.603 -12.905 78 HB3 LYS 10 3HB LYS 10 5.408 -21.446 -12.953 79 HG2 LYS 10 2HG LYS 10 3.972 -21.791 -10.382 80 HG3 LYS 10 3HG LYS 10 5.042 -23.089 -10.914 81 HD2 LYS 10 2HD LYS 10 6.710 -21.102 -11.337 82 HD3 LYS 10 3HD LYS 10 5.689 -20.278 -10.156 83 HE2 LYS 10 2HE LYS 10 6.119 -21.961 -8.513 84 HE3 LYS 10 3HE LYS 10 6.942 -22.979 -9.694 85 HZ1 LYS 10 3HZ LYS 10 8.252 -21.420 -8.040 86 HZ2 LYS 10 1HZ LYS 10 7.997 -20.289 -9.272 87 HZ3 LYS 10 2HZ LYS 10 8.815 -21.731 -9.605 88 H VAL 11 H VAL 11 2.518 -18.283 -13.105 89 HA VAL 11 HA VAL 11 4.964 -16.818 -12.488 90 HB VAL 11 HB VAL 11 4.686 -15.471 -14.616 91 HG11 VAL 11 1HG1 VAL 11 6.219 -17.640 -14.064 92 HG12 VAL 11 2HG1 VAL 11 5.409 -18.162 -15.543 93 HG13 VAL 11 3HG1 VAL 11 6.352 -16.671 -15.532 94 HG21 VAL 11 3HG2 VAL 11 2.478 -16.158 -15.270 95 HG22 VAL 11 1HG2 VAL 11 3.620 -16.683 -16.508 96 HG23 VAL 11 2HG2 VAL 11 2.980 -17.847 -15.348 97 H ILE 12 H ILE 12 4.586 -14.857 -11.608 98 HA ILE 12 HA ILE 12 2.126 -14.175 -10.561 99 HB ILE 12 HB ILE 12 3.085 -11.813 -10.400 100 HG12 ILE 12 2HG1 ILE 12 5.687 -13.068 -11.199 101 HG13 ILE 12 3HG1 ILE 12 4.639 -12.381 -12.435 102 HG21 ILE 12 1HG2 ILE 12 4.650 -12.452 -8.656 103 HG22 ILE 12 2HG2 ILE 12 3.223 -13.488 -8.611 104 HG23 ILE 12 3HG2 ILE 12 4.729 -14.091 -9.303 105 HD11 ILE 12 3HD1 ILE 12 4.809 -10.221 -11.511 106 HD12 ILE 12 1HD1 ILE 12 5.538 -10.833 -10.027 107 HD13 ILE 12 2HD1 ILE 12 6.445 -10.878 -11.539 108 H LYS 13 H LYS 13 0.527 -12.678 -11.095 109 HA LYS 13 HA LYS 13 0.588 -11.542 -13.795 110 HB2 LYS 13 2HB LYS 13 -1.616 -13.286 -12.686 111 HB3 LYS 13 3HB LYS 13 -1.796 -12.277 -14.115 112 HG2 LYS 13 2HG LYS 13 -0.805 -13.784 -15.406 113 HG3 LYS 13 3HG LYS 13 0.553 -13.952 -14.291 114 HD2 LYS 13 2HD LYS 13 -0.570 -16.081 -14.536 115 HD3 LYS 13 3HD LYS 13 -0.817 -15.465 -12.901 116 HE2 LYS 13 2HE LYS 13 -3.003 -15.721 -13.204 117 HE3 LYS 13 3HE LYS 13 -2.935 -14.447 -14.420 118 HZ1 LYS 13 3HZ LYS 13 -3.910 -16.292 -15.465 119 HZ2 LYS 13 1HZ LYS 13 -2.771 -17.373 -14.838 120 HZ3 LYS 13 2HZ LYS 13 -2.317 -16.265 -16.031 121 HA PRO 14 HA PRO 14 -1.181 -7.983 -11.932 122 HB2 PRO 14 2HB PRO 14 -2.716 -7.018 -13.952 123 HB3 PRO 14 3HB PRO 14 -0.950 -6.941 -13.967 124 HG2 PRO 14 2HG PRO 14 -2.773 -8.893 -15.320 125 HG3 PRO 14 3HG PRO 14 -1.323 -8.092 -15.953 126 HD2 PRO 14 2HD PRO 14 -1.301 -10.644 -15.047 127 HD3 PRO 14 3HD PRO 14 0.103 -9.567 -14.901 128 H ASP 15 H ASP 15 -3.101 -7.087 -11.064 129 HA ASP 15 HA ASP 15 -5.098 -9.007 -10.404 130 HB2 ASP 15 2HB ASP 15 -6.203 -7.027 -9.275 131 HB3 ASP 15 3HB ASP 15 -4.563 -7.386 -8.744 132 H GLU 16 H GLU 16 -6.743 -9.589 -11.643 133 HA GLU 16 HA GLU 16 -7.719 -7.722 -13.686 134 HB2 GLU 16 2HB GLU 16 -8.827 -9.765 -14.643 135 HB3 GLU 16 3HB GLU 16 -7.070 -9.815 -14.628 136 HG2 GLU 16 2HG GLU 16 -7.075 -11.263 -12.711 137 HG3 GLU 16 3HG GLU 16 -8.826 -11.124 -12.566 138 H THR 17 H THR 17 -8.651 -9.450 -10.820 139 HA THR 17 HA THR 17 -11.476 -8.950 -11.159 140 HB THR 17 HB THR 17 -10.724 -10.971 -9.980 141 HG1 THR 17 HG1 THR 17 -12.637 -10.639 -9.127 142 HG21 THR 17 3HG2 THR 17 -10.023 -9.501 -7.521 143 HG22 THR 17 1HG2 THR 17 -8.835 -9.422 -8.822 144 HG23 THR 17 2HG2 THR 17 -9.345 -10.986 -8.187 145 H ARG 18 H ARG 18 -8.762 -7.373 -9.715 146 HA ARG 18 HA ARG 18 -9.986 -5.825 -7.752 147 HB2 ARG 18 2HB ARG 18 -7.538 -5.548 -9.424 148 HB3 ARG 18 3HB ARG 18 -8.095 -4.127 -8.550 149 HG2 ARG 18 2HG ARG 18 -8.160 -5.737 -6.510 150 HG3 ARG 18 3HG ARG 18 -7.072 -6.721 -7.491 151 HD2 ARG 18 2HD ARG 18 -5.753 -4.508 -7.792 152 HD3 ARG 18 3HD ARG 18 -6.657 -3.975 -6.374 153 HE ARG 18 HE ARG 18 -5.527 -6.469 -5.809 154 HH11 ARG 18 1HH1 ARG 18 -4.533 -3.190 -6.429 155 HH12 ARG 18 2HH1 ARG 18 -3.093 -3.308 -5.473 156 HH21 ARG 18 1HH2 ARG 18 -3.633 -6.636 -4.548 157 HH22 ARG 18 2HH2 ARG 18 -2.582 -5.269 -4.404 158 H VAL 19 H VAL 19 -9.928 -3.259 -8.068 159 HA VAL 19 HA VAL 19 -12.176 -2.626 -9.634 160 HB VAL 19 HB VAL 19 -11.856 -0.357 -8.994 161 HG11 VAL 19 1HG1 VAL 19 -10.750 -2.036 -6.748 162 HG12 VAL 19 2HG1 VAL 19 -11.641 -0.519 -6.607 163 HG13 VAL 19 3HG1 VAL 19 -12.454 -1.969 -7.198 164 HG21 VAL 19 3HG2 VAL 19 -9.563 -0.034 -9.643 165 HG22 VAL 19 1HG2 VAL 19 -9.741 0.423 -7.949 166 HG23 VAL 19 2HG2 VAL 19 -9.006 -1.123 -8.373 167 H LYS 20 H LYS 20 -12.310 -1.100 -11.409 168 HA LYS 20 HA LYS 20 -9.905 -1.028 -13.103 169 HB2 LYS 20 2HB LYS 20 -12.696 -1.547 -14.134 170 HB3 LYS 20 3HB LYS 20 -11.202 -1.567 -15.061 171 HG2 LYS 20 2HG LYS 20 -11.364 -3.786 -14.772 172 HG3 LYS 20 3HG LYS 20 -10.630 -3.432 -13.206 173 HD2 LYS 20 2HD LYS 20 -12.419 -4.658 -12.500 174 HD3 LYS 20 3HD LYS 20 -13.169 -3.060 -12.526 175 HE2 LYS 20 2HE LYS 20 -14.734 -4.248 -13.691 176 HE3 LYS 20 3HE LYS 20 -13.699 -3.727 -15.020 177 HZ1 LYS 20 3HZ LYS 20 -14.075 -6.006 -15.346 178 HZ2 LYS 20 1HZ LYS 20 -13.796 -6.385 -13.721 179 HZ3 LYS 20 2HZ LYS 20 -12.509 -5.912 -14.712 180 H GLN 21 H GLN 21 -9.481 1.119 -12.723 181 HA GLN 21 HA GLN 21 -11.266 3.213 -12.533 182 HB2 GLN 21 2HB GLN 21 -8.566 3.006 -12.453 183 HB3 GLN 21 3HB GLN 21 -8.774 3.813 -14.002 184 HG2 GLN 21 2HG GLN 21 -9.856 5.658 -13.006 185 HG3 GLN 21 3HG GLN 21 -10.047 4.809 -11.473 186 HE21 GLN 21 1HE2 GLN 21 -7.988 4.169 -10.399 187 HE22 GLN 21 2HE2 GLN 21 -6.674 5.289 -10.463 188 H PHE 22 H PHE 22 -11.793 4.921 -14.062 189 HA PHE 22 HA PHE 22 -13.025 3.978 -16.374 190 HB2 PHE 22 2HB PHE 22 -13.811 6.018 -15.439 191 HB3 PHE 22 3HB PHE 22 -12.216 6.758 -15.529 192 HD1 PHE 22 HD1 PHE 22 -11.352 7.604 -17.632 193 HD2 PHE 22 HD2 PHE 22 -15.234 5.878 -17.375 194 HE1 PHE 22 HE1 PHE 22 -11.924 8.572 -19.821 195 HE2 PHE 22 HE2 PHE 22 -15.812 6.842 -19.563 196 HZ PHE 22 HZ PHE 22 -14.156 8.191 -20.790 197 H LEU 23 H LEU 23 -9.776 5.080 -15.838 198 HA LEU 23 HA LEU 23 -9.219 5.167 -18.705 199 HB2 LEU 23 2HB LEU 23 -7.189 5.632 -16.557 200 HB3 LEU 23 3HB LEU 23 -7.234 6.269 -18.200 201 HG LEU 23 HG LEU 23 -9.460 7.165 -16.523 202 HD11 LEU 23 1HD1 LEU 23 -7.581 6.995 -14.872 203 HD12 LEU 23 2HD1 LEU 23 -8.231 8.618 -15.102 204 HD13 LEU 23 3HD1 LEU 23 -6.701 8.166 -15.855 205 HD21 LEU 23 3HD2 LEU 23 -8.883 8.026 -18.778 206 HD22 LEU 23 1HD2 LEU 23 -7.387 8.676 -18.107 207 HD23 LEU 23 2HD2 LEU 23 -8.944 9.281 -17.539 208 H GLU 24 H GLU 24 -8.589 3.254 -15.852 209 HA GLU 24 HA GLU 24 -6.510 1.660 -16.949 210 HB2 GLU 24 2HB GLU 24 -8.244 1.570 -14.546 211 HB3 GLU 24 3HB GLU 24 -7.545 0.042 -15.063 212 HG2 GLU 24 2HG GLU 24 -5.329 0.904 -14.857 213 HG3 GLU 24 3HG GLU 24 -5.936 2.534 -14.568 214 H GLY 25 H GLY 25 -9.685 1.897 -17.821 215 HA2 GLY 25 2HA GLY 25 -10.132 -0.926 -18.354 216 HA3 GLY 25 3HA GLY 25 -11.240 0.391 -18.708 217 H PHE 26 H PHE 26 -8.681 1.703 -19.945 218 HA PHE 26 HA PHE 26 -9.082 0.467 -22.579 219 HB2 PHE 26 2HB PHE 26 -7.946 3.192 -21.919 220 HB3 PHE 26 3HB PHE 26 -8.320 2.579 -23.526 221 HD1 PHE 26 HD1 PHE 26 -10.750 2.006 -24.038 222 HD2 PHE 26 HD2 PHE 26 -9.550 4.327 -20.678 223 HE1 PHE 26 HE1 PHE 26 -13.031 2.911 -23.853 224 HE2 PHE 26 HE2 PHE 26 -11.828 5.235 -20.487 225 HZ PHE 26 HZ PHE 26 -13.572 4.527 -22.075 226 H ASN 27 H ASN 27 -6.980 1.093 -24.014 227 HA ASN 27 HA ASN 27 -4.844 -0.454 -22.797 228 HB2 ASN 27 2HB ASN 27 -5.786 0.051 -25.483 229 HB3 ASN 27 3HB ASN 27 -4.053 0.343 -25.370 230 HD21 ASN 27 1HD2 ASN 27 -6.234 -1.911 -26.130 231 HD22 ASN 27 2HD2 ASN 27 -5.356 -3.346 -25.737 232 H ILE 28 H ILE 28 -2.636 0.233 -22.799 233 HA ILE 28 HA ILE 28 -2.335 2.979 -22.018 234 HB ILE 28 HB ILE 28 -1.108 1.103 -20.920 235 HG12 ILE 28 2HG1 ILE 28 1.049 2.316 -20.755 236 HG13 ILE 28 3HG1 ILE 28 0.589 3.287 -22.149 237 HG21 ILE 28 1HG2 ILE 28 -0.586 0.115 -23.294 238 HG22 ILE 28 2HG2 ILE 28 0.854 1.122 -23.160 239 HG23 ILE 28 3HG2 ILE 28 0.533 -0.122 -21.952 240 HD11 ILE 28 3HD1 ILE 28 -0.610 4.667 -20.898 241 HD12 ILE 28 1HD1 ILE 28 -1.432 3.338 -20.080 242 HD13 ILE 28 2HD1 ILE 28 0.139 3.895 -19.501 243 H GLU 29 H GLU 29 -1.713 1.097 -24.874 244 HA GLU 29 HA GLU 29 0.077 2.967 -26.093 245 HB2 GLU 29 2HB GLU 29 -0.334 1.629 -28.154 246 HB3 GLU 29 3HB GLU 29 0.179 0.664 -26.778 247 HG2 GLU 29 2HG GLU 29 -2.003 -0.177 -26.433 248 HG3 GLU 29 3HG GLU 29 -2.704 0.995 -27.548 249 H THR 30 H THR 30 -3.383 2.485 -26.041 250 HA THR 30 HA THR 30 -4.116 4.020 -28.260 251 HB THR 30 HB THR 30 -6.312 4.223 -27.252 252 HG1 THR 30 HG1 THR 30 -5.948 4.704 -25.139 253 HG21 THR 30 3HG2 THR 30 -6.655 1.783 -26.569 254 HG22 THR 30 1HG2 THR 30 -4.926 1.583 -26.849 255 HG23 THR 30 2HG2 THR 30 -5.982 2.081 -28.172 256 H PHE 31 H PHE 31 -2.878 4.960 -25.190 257 HA PHE 31 HA PHE 31 -3.869 7.669 -25.317 258 HB2 PHE 31 2HB PHE 31 -1.767 6.469 -23.501 259 HB3 PHE 31 3HB PHE 31 -2.553 8.030 -23.290 260 HD1 PHE 31 HD2 PHE 31 -5.341 7.007 -24.137 261 HD2 PHE 31 HD1 PHE 31 -2.423 5.582 -21.386 262 HE1 PHE 31 HE2 PHE 31 -7.117 5.934 -22.815 263 HE2 PHE 31 HE1 PHE 31 -4.194 4.505 -20.060 264 HZ PHE 31 HZ PHE 31 -6.545 4.681 -20.773 265 H GLU 32 H GLU 32 -2.456 9.542 -25.383 266 HA GLU 32 HA GLU 32 0.192 9.179 -26.514 267 HB2 GLU 32 2HB GLU 32 -0.291 10.627 -28.464 268 HB3 GLU 32 3HB GLU 32 -1.165 9.103 -28.514 269 HG2 GLU 32 2HG GLU 32 -3.015 10.598 -27.312 270 HG3 GLU 32 3HG GLU 32 -2.174 11.861 -28.209 271 H MET 33 H MET 33 1.542 10.723 -25.828 272 HA MET 33 HA MET 33 0.879 12.558 -23.877 273 HB2 MET 33 2HB MET 33 3.178 11.850 -24.329 274 HB3 MET 33 3HB MET 33 3.156 12.714 -25.860 275 HG2 MET 33 2HG MET 33 2.631 14.786 -24.406 276 HG3 MET 33 3HG MET 33 3.246 13.800 -23.081 277 HE1 MET 33 3HE MET 33 6.251 15.492 -22.939 278 HE2 MET 33 1HE MET 33 5.400 16.641 -23.972 279 HE3 MET 33 2HE MET 33 4.521 15.762 -22.722 280 H VAL 34 H VAL 34 -0.006 14.530 -23.840 281 HA VAL 34 HA VAL 34 -0.487 15.867 -26.423 282 HB VAL 34 HB VAL 34 -2.565 15.147 -25.386 283 HG11 VAL 34 1HG1 VAL 34 -3.246 16.240 -23.210 284 HG12 VAL 34 2HG1 VAL 34 -2.011 14.984 -23.091 285 HG13 VAL 34 3HG1 VAL 34 -1.552 16.685 -23.007 286 HG21 VAL 34 3HG2 VAL 34 -3.680 17.049 -25.890 287 HG22 VAL 34 1HG2 VAL 34 -2.693 18.039 -24.815 288 HG23 VAL 34 2HG2 VAL 34 -2.083 17.590 -26.407 289 H GLY 35 H GLY 35 0.766 16.186 -23.205 290 HA2 GLY 35 2HA GLY 35 2.210 18.537 -23.844 291 HA3 GLY 35 3HA GLY 35 0.798 18.951 -22.883 292 H THR 36 H THR 36 2.954 19.664 -21.679 293 HA THR 36 HA THR 36 3.235 17.757 -19.497 294 HB THR 36 HB THR 36 5.820 18.490 -19.615 295 HG1 THR 36 HG1 THR 36 5.039 18.174 -22.339 296 HG21 THR 36 3HG2 THR 36 5.442 16.234 -19.355 297 HG22 THR 36 1HG2 THR 36 6.085 16.268 -20.996 298 HG23 THR 36 2HG2 THR 36 4.345 16.148 -20.733 299 H LEU 37 H LEU 37 3.406 18.728 -17.549 300 HA LEU 37 HA LEU 37 3.669 21.661 -17.538 301 HB2 LEU 37 2HB LEU 37 1.479 20.700 -16.817 302 HB3 LEU 37 3HB LEU 37 2.320 19.926 -15.476 303 HG LEU 37 HG LEU 37 1.055 22.077 -14.979 304 HD11 LEU 37 1HD1 LEU 37 2.310 22.091 -13.153 305 HD12 LEU 37 2HD1 LEU 37 3.677 22.762 -14.042 306 HD13 LEU 37 3HD1 LEU 37 3.444 21.015 -13.970 307 HD21 LEU 37 3HD2 LEU 37 2.320 23.075 -17.133 308 HD22 LEU 37 1HD2 LEU 37 3.417 23.608 -15.859 309 HD23 LEU 37 2HD2 LEU 37 1.715 24.070 -15.808 310 H SER 38 H SER 38 5.079 22.640 -16.151 311 HA SER 38 HA SER 38 6.558 20.998 -14.239 312 HB2 SER 38 2HB SER 38 8.674 21.417 -15.115 313 HB3 SER 38 3HB SER 38 7.718 21.182 -16.578 314 HG SER 38 HG SER 38 9.194 23.179 -16.202 315 H ASN 39 H ASN 39 7.075 22.061 -12.410 316 HA ASN 39 HA ASN 39 7.520 24.847 -12.228 317 HB2 ASN 39 2HB ASN 39 5.533 25.608 -11.143 318 HB3 ASN 39 3HB ASN 39 5.024 24.787 -12.616 319 HD21 ASN 39 1HD2 ASN 39 4.838 22.267 -12.131 320 HD22 ASN 39 2HD2 ASN 39 3.816 21.905 -10.786 321 H ALA 40 H ALA 40 6.872 25.398 -9.648 322 HA ALA 40 HA ALA 40 8.872 24.198 -8.165 323 HB1 ALA 40 1HB ALA 40 6.415 25.723 -7.404 324 HB2 ALA 40 2HB ALA 40 7.453 25.028 -6.159 325 HB3 ALA 40 3HB ALA 40 8.109 26.203 -7.298 326 H GLN 41 H GLN 41 5.524 23.225 -8.579 327 HA GLN 41 HA GLN 41 5.389 21.342 -6.496 328 HB2 GLN 41 2HB GLN 41 3.801 22.058 -8.841 329 HB3 GLN 41 3HB GLN 41 3.729 20.341 -8.464 330 HG2 GLN 41 2HG GLN 41 3.032 22.626 -6.636 331 HG3 GLN 41 3HG GLN 41 1.921 21.473 -7.373 332 HE21 GLN 41 1HE2 GLN 41 1.974 21.913 -4.653 333 HE22 GLN 41 2HE2 GLN 41 2.564 20.498 -3.858 334 H GLY 42 H GLY 42 6.711 21.182 -9.726 335 HA2 GLY 42 2HA GLY 42 8.570 19.376 -9.645 336 HA3 GLY 42 3HA GLY 42 7.200 18.300 -9.415 337 H THR 43 H THR 43 7.619 17.167 -11.320 338 HA THR 43 HA THR 43 7.041 18.672 -13.789 339 HB THR 43 HB THR 43 8.574 16.110 -13.904 340 HG1 THR 43 HG1 THR 43 9.879 17.151 -12.490 341 HG21 THR 43 3HG2 THR 43 7.699 17.458 -15.901 342 HG22 THR 43 1HG2 THR 43 9.392 16.965 -15.933 343 HG23 THR 43 2HG2 THR 43 8.963 18.622 -15.508 344 H PHE 44 H PHE 44 4.968 18.235 -14.240 345 HA PHE 44 HA PHE 44 4.020 15.468 -13.970 346 HB2 PHE 44 2HB PHE 44 2.344 17.946 -14.390 347 HB3 PHE 44 3HB PHE 44 1.783 16.346 -13.919 348 HD1 PHE 44 HD1 PHE 44 3.623 19.329 -12.795 349 HD2 PHE 44 HD2 PHE 44 1.846 15.633 -11.658 350 HE1 PHE 44 HE1 PHE 44 3.836 19.960 -10.426 351 HE2 PHE 44 HE2 PHE 44 2.055 16.258 -9.287 352 HZ PHE 44 HZ PHE 44 3.050 18.424 -8.669 353 H ALA 45 H ALA 45 2.796 14.510 -15.664 354 HA ALA 45 HA ALA 45 3.383 15.654 -18.317 355 HB1 ALA 45 1HB ALA 45 3.305 12.803 -17.378 356 HB2 ALA 45 2HB ALA 45 3.191 13.229 -19.086 357 HB3 ALA 45 3HB ALA 45 4.625 13.672 -18.161 358 H LEU 46 H LEU 46 1.740 15.995 -19.697 359 HA LEU 46 HA LEU 46 -0.953 15.249 -18.793 360 HB2 LEU 46 2HB LEU 46 -0.441 17.185 -21.004 361 HB3 LEU 46 3HB LEU 46 -1.788 17.112 -19.870 362 HG LEU 46 HG LEU 46 1.010 18.023 -19.198 363 HD11 LEU 46 1HD1 LEU 46 -1.522 19.587 -19.674 364 HD12 LEU 46 2HD1 LEU 46 -0.064 19.610 -20.665 365 HD13 LEU 46 3HD1 LEU 46 -0.024 20.254 -19.024 366 HD21 LEU 46 3HD2 LEU 46 0.223 18.537 -17.055 367 HD22 LEU 46 1HD2 LEU 46 -0.436 16.936 -17.389 368 HD23 LEU 46 2HD2 LEU 46 -1.466 18.361 -17.533 369 H VAL 47 H VAL 47 -1.758 13.490 -19.715 370 HA VAL 47 HA VAL 47 -1.055 12.915 -22.519 371 HB VAL 47 HB VAL 47 -0.396 11.222 -20.744 372 HG11 VAL 47 1HG1 VAL 47 -1.905 10.246 -19.416 373 HG12 VAL 47 2HG1 VAL 47 -2.985 11.560 -19.887 374 HG13 VAL 47 3HG1 VAL 47 -3.048 10.016 -20.738 375 HG21 VAL 47 3HG2 VAL 47 -2.270 10.172 -22.856 376 HG22 VAL 47 1HG2 VAL 47 -0.645 10.767 -23.198 377 HG23 VAL 47 2HG2 VAL 47 -0.869 9.361 -22.157 378 H LYS 48 H LYS 48 -2.722 11.935 -23.848 379 HA LYS 48 HA LYS 48 -5.440 12.725 -23.025 380 HB2 LYS 48 2HB LYS 48 -4.659 14.243 -24.737 381 HB3 LYS 48 3HB LYS 48 -4.158 12.900 -25.756 382 HG2 LYS 48 2HG LYS 48 -6.449 12.237 -26.091 383 HG3 LYS 48 3HG LYS 48 -7.005 13.470 -24.956 384 HD2 LYS 48 2HD LYS 48 -6.146 15.219 -26.434 385 HD3 LYS 48 3HD LYS 48 -5.573 13.989 -27.564 386 HE2 LYS 48 2HE LYS 48 -7.667 13.519 -28.325 387 HE3 LYS 48 3HE LYS 48 -8.431 13.892 -26.781 388 HZ1 LYS 48 3HZ LYS 48 -8.165 16.231 -27.226 389 HZ2 LYS 48 1HZ LYS 48 -8.985 15.506 -28.516 390 HZ3 LYS 48 2HZ LYS 48 -7.350 15.909 -28.673 391 H GLY 49 H GLY 49 -7.135 11.360 -23.552 392 HA2 GLY 49 2HA GLY 49 -7.137 9.221 -25.298 393 HA3 GLY 49 3HA GLY 49 -6.480 8.595 -23.793 394 H ALA 50 H ALA 50 -8.707 7.425 -24.620 395 HA ALA 50 HA ALA 50 -10.889 6.948 -24.146 396 HB1 ALA 50 1HB ALA 50 -11.519 7.227 -21.779 397 HB2 ALA 50 2HB ALA 50 -9.921 6.508 -21.976 398 HB3 ALA 50 3HB ALA 50 -10.074 8.207 -21.530 399 H GLY 51 H GLY 51 -10.303 9.597 -25.350 400 HA2 GLY 51 2HA GLY 51 -11.596 11.359 -26.077 401 HA3 GLY 51 3HA GLY 51 -12.940 10.670 -25.178 402 H GLY 52 H GLY 52 -9.808 11.670 -23.879 403 HA2 GLY 52 2HA GLY 52 -10.680 14.194 -22.918 404 HA3 GLY 52 3HA GLY 52 -10.842 12.979 -21.658 405 H VAL 53 H VAL 53 -9.254 14.755 -20.818 406 HA VAL 53 HA VAL 53 -6.508 13.944 -21.517 407 HB VAL 53 HB VAL 53 -5.873 16.147 -20.383 408 HG11 VAL 53 1HG1 VAL 53 -6.126 17.388 -22.415 409 HG12 VAL 53 2HG1 VAL 53 -5.839 15.698 -22.836 410 HG13 VAL 53 3HG1 VAL 53 -7.469 16.367 -22.930 411 HG21 VAL 53 3HG2 VAL 53 -8.799 16.705 -20.867 412 HG22 VAL 53 1HG2 VAL 53 -8.024 16.553 -19.290 413 HG23 VAL 53 2HG2 VAL 53 -7.589 17.884 -20.362 414 H HIS 54 H HIS 54 -5.111 13.316 -19.926 415 HA HIS 54 HA HIS 54 -6.117 13.301 -17.163 416 HB2 HIS 54 2HB HIS 54 -4.470 10.980 -17.854 417 HB3 HIS 54 3HB HIS 54 -5.981 11.060 -16.952 418 HD1 HIS 54 HD1 HIS 54 -4.711 9.564 -19.850 419 HD2 HIS 54 HD2 HIS 54 -8.212 11.638 -19.013 420 HE1 HIS 54 HE1 HIS 54 -6.338 8.887 -21.644 421 H ARG 55 H ARG 55 -4.722 14.145 -15.765 422 HA ARG 55 HA ARG 55 -1.971 14.614 -16.639 423 HB2 ARG 55 2HB ARG 55 -3.536 15.746 -14.313 424 HB3 ARG 55 3HB ARG 55 -1.873 16.167 -14.703 425 HG2 ARG 55 2HG ARG 55 -2.729 16.921 -16.958 426 HG3 ARG 55 3HG ARG 55 -4.354 16.756 -16.289 427 HD2 ARG 55 2HD ARG 55 -2.172 18.657 -15.519 428 HD3 ARG 55 3HD ARG 55 -3.849 19.001 -15.942 429 HE ARG 55 HE ARG 55 -4.104 17.563 -13.683 430 HH11 ARG 55 1HH1 ARG 55 -2.151 20.325 -14.506 431 HH12 ARG 55 2HH1 ARG 55 -2.145 20.965 -12.895 432 HH21 ARG 55 1HH2 ARG 55 -4.104 18.395 -11.559 433 HH22 ARG 55 2HH2 ARG 55 -3.255 19.865 -11.220 434 H VAL 56 H VAL 56 -0.356 13.398 -15.926 435 HA VAL 56 HA VAL 56 -0.509 12.195 -13.265 436 HB VAL 56 HB VAL 56 0.310 10.021 -14.130 437 HG11 VAL 56 1HG1 VAL 56 -1.988 10.112 -13.595 438 HG12 VAL 56 2HG1 VAL 56 -2.370 11.022 -15.058 439 HG13 VAL 56 3HG1 VAL 56 -1.890 9.329 -15.172 440 HG21 VAL 56 3HG2 VAL 56 -0.007 9.539 -16.547 441 HG22 VAL 56 1HG2 VAL 56 -0.295 11.259 -16.811 442 HG23 VAL 56 2HG2 VAL 56 1.274 10.708 -16.224 443 H ARG 57 H ARG 57 1.505 11.704 -12.339 444 HA ARG 57 HA ARG 57 3.837 12.746 -13.808 445 HB2 ARG 57 2HB ARG 57 4.697 13.392 -11.484 446 HB3 ARG 57 3HB ARG 57 3.421 14.385 -12.177 447 HG2 ARG 57 2HG ARG 57 1.889 13.739 -10.639 448 HG3 ARG 57 3HG ARG 57 2.580 12.125 -10.466 449 HD2 ARG 57 2HD ARG 57 4.526 13.217 -9.289 450 HD3 ARG 57 3HD ARG 57 3.576 14.702 -9.272 451 HE ARG 57 HE ARG 57 1.989 12.702 -8.182 452 HH11 ARG 57 1HH1 ARG 57 4.980 14.328 -7.454 453 HH12 ARG 57 2HH1 ARG 57 4.818 14.137 -5.740 454 HH21 ARG 57 1HH2 ARG 57 1.764 12.444 -5.926 455 HH22 ARG 57 2HH2 ARG 57 2.989 13.065 -4.872 456 H VAL 58 H VAL 58 5.920 12.053 -12.459 457 HA VAL 58 HA VAL 58 6.352 9.375 -12.872 458 HB VAL 58 HB VAL 58 8.208 10.869 -12.526 459 HG11 VAL 58 1HG1 VAL 58 7.006 12.253 -10.789 460 HG12 VAL 58 2HG1 VAL 58 7.489 11.033 -9.609 461 HG13 VAL 58 3HG1 VAL 58 8.716 11.950 -10.483 462 HG21 VAL 58 3HG2 VAL 58 8.086 8.328 -11.583 463 HG22 VAL 58 1HG2 VAL 58 9.557 9.299 -11.643 464 HG23 VAL 58 2HG2 VAL 58 8.629 9.195 -10.147 465 H GLY 59 H GLY 59 5.469 7.630 -11.991 466 HA2 GLY 59 2HA GLY 59 5.354 6.279 -9.937 467 HA3 GLY 59 3HA GLY 59 4.772 7.722 -9.120 468 H ASP 60 H ASP 60 2.981 8.545 -11.216 469 HA ASP 60 HA ASP 60 0.669 7.145 -10.435 470 HB2 ASP 60 2HB ASP 60 1.250 9.141 -12.606 471 HB3 ASP 60 3HB ASP 60 -0.337 8.387 -12.476 472 H TYR 61 H TYR 61 -0.867 6.095 -11.985 473 HA TYR 61 HA TYR 61 0.548 4.497 -14.010 474 HB2 TYR 61 2HB TYR 61 -1.576 3.373 -12.182 475 HB3 TYR 61 3HB TYR 61 -0.546 2.491 -13.304 476 HD1 TYR 61 HD2 TYR 61 -0.614 4.312 -10.096 477 HD2 TYR 61 HD1 TYR 61 1.655 1.811 -12.684 478 HE1 TYR 61 HE2 TYR 61 1.009 3.925 -8.289 479 HE2 TYR 61 HE1 TYR 61 3.284 1.416 -10.884 480 HH TYR 61 HH TYR 61 3.753 3.175 -8.409 481 H LEU 62 H LEU 62 -0.715 3.777 -15.767 482 HA LEU 62 HA LEU 62 -3.488 4.521 -15.976 483 HB2 LEU 62 2HB LEU 62 -1.612 6.433 -16.691 484 HB3 LEU 62 3HB LEU 62 -2.079 5.697 -18.223 485 HG LEU 62 HG LEU 62 -4.514 6.142 -17.238 486 HD11 LEU 62 1HD1 LEU 62 -4.632 7.533 -15.516 487 HD12 LEU 62 2HD1 LEU 62 -3.599 8.704 -16.334 488 HD13 LEU 62 3HD1 LEU 62 -2.879 7.425 -15.356 489 HD21 LEU 62 3HD2 LEU 62 -4.018 8.591 -18.304 490 HD22 LEU 62 1HD2 LEU 62 -4.312 7.128 -19.244 491 HD23 LEU 62 2HD2 LEU 62 -2.659 7.658 -18.932 492 H GLY 63 H GLY 63 -4.517 3.641 -17.832 493 HA2 GLY 63 2HA GLY 63 -4.666 2.315 -19.751 494 HA3 GLY 63 3HA GLY 63 -2.929 2.057 -19.680 495 H ARG 64 H ARG 64 -4.529 -0.051 -20.266 496 HA ARG 64 HA ARG 64 -5.248 -1.542 -17.926 497 HB2 ARG 64 2HB ARG 64 -5.294 -1.977 -20.855 498 HB3 ARG 64 3HB ARG 64 -5.175 -3.421 -19.859 499 HG2 ARG 64 2HG ARG 64 -7.203 -2.793 -18.674 500 HG3 ARG 64 3HG ARG 64 -7.314 -1.315 -19.632 501 HD2 ARG 64 2HD ARG 64 -8.805 -3.074 -20.475 502 HD3 ARG 64 3HD ARG 64 -7.581 -2.619 -21.660 503 HE ARG 64 HE ARG 64 -6.657 -4.811 -20.160 504 HH11 ARG 64 1HH1 ARG 64 -9.026 -4.008 -22.581 505 HH12 ARG 64 2HH1 ARG 64 -9.044 -5.595 -23.276 506 HH21 ARG 64 1HH2 ARG 64 -6.672 -6.904 -21.066 507 HH22 ARG 64 2HH2 ARG 64 -7.706 -7.241 -22.413 508 H ASN 65 H ASN 65 -2.351 -0.991 -19.630 509 HA ASN 65 HA ASN 65 -1.098 -3.458 -18.712 510 HB2 ASN 65 2HB ASN 65 0.077 -1.166 -20.301 511 HB3 ASN 65 3HB ASN 65 0.849 -2.719 -19.998 512 HD21 ASN 65 1HD2 ASN 65 -1.072 -4.518 -20.456 513 HD22 ASN 65 2HD2 ASN 65 -1.625 -4.430 -22.091 514 H ASP 66 H ASP 66 -1.997 -1.088 -16.993 515 HA ASP 66 HA ASP 66 -1.272 0.080 -15.174 516 HB2 ASP 66 2HB ASP 66 -0.828 -2.282 -14.471 517 HB3 ASP 66 3HB ASP 66 0.832 -2.088 -15.029 518 H GLY 67 H GLY 67 -0.339 1.149 -17.538 519 HA2 GLY 67 2HA GLY 67 2.402 1.532 -17.795 520 HA3 GLY 67 3HA GLY 67 1.181 2.693 -18.296 521 H LYS 68 H LYS 68 3.597 1.920 -15.994 522 HA LYS 68 HA LYS 68 2.803 4.055 -14.176 523 HB2 LYS 68 2HB LYS 68 3.613 1.958 -13.210 524 HB3 LYS 68 3HB LYS 68 5.134 2.130 -14.077 525 HG2 LYS 68 2HG LYS 68 5.387 4.341 -12.808 526 HG3 LYS 68 3HG LYS 68 4.103 3.729 -11.764 527 HD2 LYS 68 2HD LYS 68 6.168 3.142 -10.741 528 HD3 LYS 68 3HD LYS 68 5.500 1.662 -11.435 529 HE2 LYS 68 2HE LYS 68 6.976 1.848 -13.340 530 HE3 LYS 68 3HE LYS 68 7.578 3.401 -12.762 531 HZ1 LYS 68 3HZ LYS 68 8.673 0.965 -12.236 532 HZ2 LYS 68 1HZ LYS 68 7.837 1.324 -10.809 533 HZ3 LYS 68 2HZ LYS 68 9.002 2.399 -11.400 534 H VAL 69 H VAL 69 3.569 6.058 -14.304 535 HA VAL 69 HA VAL 69 5.352 6.849 -16.364 536 HB VAL 69 HB VAL 69 4.428 8.414 -13.950 537 HG11 VAL 69 1HG1 VAL 69 6.387 9.022 -15.896 538 HG12 VAL 69 2HG1 VAL 69 4.977 10.030 -16.232 539 HG13 VAL 69 3HG1 VAL 69 5.733 10.071 -14.638 540 HG21 VAL 69 3HG2 VAL 69 2.976 9.449 -15.886 541 HG22 VAL 69 1HG2 VAL 69 3.227 7.865 -16.619 542 HG23 VAL 69 2HG2 VAL 69 2.454 7.993 -15.039 543 H VAL 70 H VAL 70 7.499 6.924 -16.387 544 HA VAL 70 HA VAL 70 8.932 6.815 -13.811 545 HB VAL 70 HB VAL 70 10.686 5.525 -14.860 546 HG11 VAL 70 1HG1 VAL 70 9.032 4.151 -13.911 547 HG12 VAL 70 2HG1 VAL 70 7.901 4.460 -15.230 548 HG13 VAL 70 3HG1 VAL 70 9.333 3.469 -15.509 549 HG21 VAL 70 3HG2 VAL 70 9.023 5.660 -17.375 550 HG22 VAL 70 1HG2 VAL 70 10.557 6.486 -17.100 551 HG23 VAL 70 2HG2 VAL 70 10.503 4.724 -17.165 552 H GLY 71 H GLY 71 8.749 8.191 -17.019 553 HA2 GLY 71 2HA GLY 71 10.655 10.260 -16.167 554 HA3 GLY 71 3HA GLY 71 10.921 9.441 -17.699 555 H ILE 72 H ILE 72 10.262 12.290 -16.933 556 HA ILE 72 HA ILE 72 8.063 12.611 -18.857 557 HB ILE 72 HB ILE 72 8.370 14.154 -16.279 558 HG12 ILE 72 2HG1 ILE 72 6.024 12.481 -17.163 559 HG13 ILE 72 3HG1 ILE 72 7.359 11.799 -16.241 560 HG21 ILE 72 1HG2 ILE 72 6.931 14.725 -18.771 561 HG22 ILE 72 2HG2 ILE 72 5.966 14.884 -17.305 562 HG23 ILE 72 3HG2 ILE 72 7.454 15.813 -17.485 563 HD11 ILE 72 3HD1 ILE 72 5.600 12.342 -14.733 564 HD12 ILE 72 1HD1 ILE 72 6.912 13.492 -14.477 565 HD13 ILE 72 2HD1 ILE 72 5.477 13.978 -15.381 566 H SER 73 H SER 73 9.053 13.474 -20.571 567 HA SER 73 HA SER 73 11.140 15.485 -20.175 568 HB2 SER 73 2HB SER 73 11.446 13.509 -21.748 569 HB3 SER 73 3HB SER 73 10.258 14.278 -22.801 570 HG SER 73 HG SER 73 12.782 14.727 -22.835 571 H GLU 74 H GLU 74 10.938 16.913 -22.518 572 HA GLU 74 HA GLU 74 8.591 18.554 -21.951 573 HB2 GLU 74 2HB GLU 74 9.704 20.312 -23.151 574 HB3 GLU 74 3HB GLU 74 10.862 19.583 -22.046 575 HG2 GLU 74 2HG GLU 74 11.709 18.224 -23.965 576 HG3 GLU 74 3HG GLU 74 10.673 19.185 -25.019 577 H GLY 75 H GLY 75 9.688 16.266 -24.220 578 HA2 GLY 75 2HA GLY 75 7.391 16.901 -25.946 579 HA3 GLY 75 3HA GLY 75 8.973 16.651 -26.670 580 H LYS 76 H LYS 76 8.459 14.734 -23.928 581 HA LYS 76 HA LYS 76 7.076 12.566 -25.162 582 HB2 LYS 76 2HB LYS 76 8.929 10.986 -25.290 583 HB3 LYS 76 3HB LYS 76 9.222 12.365 -26.341 584 HG2 LYS 76 2HG LYS 76 10.332 12.448 -23.589 585 HG3 LYS 76 3HG LYS 76 11.100 11.386 -24.772 586 HD2 LYS 76 2HD LYS 76 10.489 14.163 -25.620 587 HD3 LYS 76 3HD LYS 76 11.807 13.937 -24.467 588 HE2 LYS 76 2HE LYS 76 11.606 12.356 -27.016 589 HE3 LYS 76 3HE LYS 76 12.413 13.922 -26.940 590 HZ1 LYS 76 3HZ LYS 76 13.365 12.350 -24.834 591 HZ2 LYS 76 1HZ LYS 76 14.213 12.911 -26.186 592 HZ3 LYS 76 2HZ LYS 76 13.433 11.411 -26.240 593 H ILE 77 H ILE 77 6.677 10.839 -23.722 594 HA ILE 77 HA ILE 77 7.548 11.314 -20.948 595 HB ILE 77 HB ILE 77 4.822 10.276 -21.711 596 HG12 ILE 77 2HG1 ILE 77 5.017 12.578 -22.490 597 HG13 ILE 77 3HG1 ILE 77 3.972 12.510 -21.076 598 HG21 ILE 77 1HG2 ILE 77 6.208 10.935 -19.156 599 HG22 ILE 77 2HG2 ILE 77 4.462 11.149 -19.266 600 HG23 ILE 77 3HG2 ILE 77 5.175 9.563 -19.557 601 HD11 ILE 77 3HD1 ILE 77 6.652 12.958 -20.225 602 HD12 ILE 77 1HD1 ILE 77 6.242 14.115 -21.491 603 HD13 ILE 77 2HD1 ILE 77 5.237 13.996 -20.046 604 H ASP 78 H ASP 78 8.716 9.670 -20.235 605 HA ASP 78 HA ASP 78 8.514 7.063 -21.502 606 HB2 ASP 78 2HB ASP 78 10.410 8.238 -19.470 607 HB3 ASP 78 3HB ASP 78 10.445 6.534 -19.918 608 H VAL 79 H VAL 79 7.385 5.416 -20.714 609 HA VAL 79 HA VAL 79 6.838 5.274 -17.842 610 HB VAL 79 HB VAL 79 4.496 4.863 -18.121 611 HG11 VAL 79 1HG1 VAL 79 4.809 7.227 -19.896 612 HG12 VAL 79 2HG1 VAL 79 3.817 7.019 -18.452 613 HG13 VAL 79 3HG1 VAL 79 5.555 7.279 -18.299 614 HG21 VAL 79 3HG2 VAL 79 3.681 5.391 -20.630 615 HG22 VAL 79 1HG2 VAL 79 5.235 4.629 -20.968 616 HG23 VAL 79 2HG2 VAL 79 4.012 3.763 -20.037 617 H ILE 80 H ILE 80 6.241 3.167 -17.102 618 HA ILE 80 HA ILE 80 7.298 1.050 -18.828 619 HB ILE 80 HB ILE 80 6.988 1.347 -15.871 620 HG12 ILE 80 2HG1 ILE 80 9.104 1.896 -17.135 621 HG13 ILE 80 3HG1 ILE 80 9.296 0.722 -15.838 622 HG21 ILE 80 1HG2 ILE 80 7.058 -1.250 -17.381 623 HG22 ILE 80 2HG2 ILE 80 7.588 -1.113 -15.705 624 HG23 ILE 80 3HG2 ILE 80 5.920 -0.735 -16.136 625 HD11 ILE 80 3HD1 ILE 80 9.384 -1.081 -17.407 626 HD12 ILE 80 1HD1 ILE 80 8.993 0.003 -18.741 627 HD13 ILE 80 2HD1 ILE 80 10.536 0.159 -17.901 628 H GLU 81 H GLU 81 5.900 -0.139 -19.931 629 HA GLU 81 HA GLU 81 3.184 -0.495 -18.858 630 HB2 GLU 81 2HB GLU 81 4.097 -0.933 -21.703 631 HB3 GLU 81 3HB GLU 81 2.442 -0.881 -21.112 632 HG2 GLU 81 2HG GLU 81 2.431 1.249 -21.726 633 HG3 GLU 81 3HG GLU 81 3.466 1.551 -20.331 634 H ILE 82 H ILE 82 2.402 -2.484 -18.434 635 HA ILE 82 HA ILE 82 4.274 -4.697 -18.487 636 HB ILE 82 HB ILE 82 1.426 -4.742 -17.497 637 HG12 ILE 82 2HG1 ILE 82 2.646 -2.943 -16.366 638 HG13 ILE 82 3HG1 ILE 82 2.345 -4.280 -15.261 639 HG21 ILE 82 1HG2 ILE 82 2.099 -6.940 -17.595 640 HG22 ILE 82 2HG2 ILE 82 3.786 -6.550 -17.262 641 HG23 ILE 82 3HG2 ILE 82 2.597 -6.502 -15.961 642 HD11 ILE 82 3HD1 ILE 82 4.937 -3.680 -16.665 643 HD12 ILE 82 1HD1 ILE 82 4.577 -3.409 -14.960 644 HD13 ILE 82 2HD1 ILE 82 4.645 -5.053 -15.598 645 H VAL 83 H VAL 83 4.302 -6.283 -19.942 646 HA VAL 83 HA VAL 83 1.902 -6.797 -21.551 647 HB VAL 83 HB VAL 83 3.448 -7.134 -23.547 648 HG11 VAL 83 1HG1 VAL 83 3.022 -5.003 -24.301 649 HG12 VAL 83 2HG1 VAL 83 1.899 -5.111 -22.945 650 HG13 VAL 83 3HG1 VAL 83 3.431 -4.257 -22.756 651 HG21 VAL 83 3HG2 VAL 83 5.569 -7.144 -22.388 652 HG22 VAL 83 1HG2 VAL 83 5.523 -5.790 -23.517 653 HG23 VAL 83 2HG2 VAL 83 5.288 -5.508 -21.792 654 HA PRO 84 HA PRO 84 2.773 -11.047 -20.879 655 HB2 PRO 84 2HB PRO 84 1.829 -12.153 -23.172 656 HB3 PRO 84 3HB PRO 84 0.772 -11.500 -21.915 657 HG2 PRO 84 2HG PRO 84 1.666 -10.242 -24.480 658 HG3 PRO 84 3HG PRO 84 0.055 -10.247 -23.738 659 HD2 PRO 84 2HD PRO 84 1.733 -8.129 -23.563 660 HD3 PRO 84 3HD PRO 84 0.586 -8.548 -22.274 661 H ASP 85 H ASP 85 4.137 -12.779 -21.471 662 HA ASP 85 HA ASP 85 6.273 -12.010 -23.337 663 HB2 ASP 85 2HB ASP 85 7.082 -12.392 -21.096 664 HB3 ASP 85 3HB ASP 85 6.262 -13.949 -21.017 665 H GLY 86 H GLY 86 3.828 -14.385 -22.702 666 HA2 GLY 86 2HA GLY 86 3.153 -15.501 -24.877 667 HA3 GLY 86 3HA GLY 86 4.832 -16.014 -24.950 668 H GLU 87 H GLU 87 5.044 -16.523 -22.098 669 HA GLU 87 HA GLU 87 3.649 -19.097 -22.064 670 HB2 GLU 87 2HB GLU 87 5.799 -18.230 -20.143 671 HB3 GLU 87 3HB GLU 87 5.297 -19.864 -20.554 672 HG2 GLU 87 2HG GLU 87 6.094 -19.064 -22.966 673 HG3 GLU 87 3HG GLU 87 7.114 -18.021 -21.977 674 H GLY 88 H GLY 88 2.492 -16.397 -21.344 675 HA2 GLY 88 2HA GLY 88 0.687 -15.963 -19.913 676 HA3 GLY 88 3HA GLY 88 1.201 -17.299 -18.894 677 H ASN 89 H ASN 89 4.004 -15.911 -19.216 678 HA ASN 89 HA ASN 89 3.741 -14.401 -16.755 679 HB2 ASN 89 2HB ASN 89 6.081 -14.538 -16.568 680 HB3 ASN 89 3HB ASN 89 5.621 -16.069 -17.306 681 HD21 ASN 89 1HD2 ASN 89 6.495 -16.619 -19.195 682 HD22 ASN 89 2HD2 ASN 89 7.499 -15.597 -20.160 683 H TRP 90 H TRP 90 4.065 -12.233 -16.507 684 HA TRP 90 HA TRP 90 4.022 -10.649 -18.966 685 HB2 TRP 90 2HB TRP 90 3.498 -9.786 -16.113 686 HB3 TRP 90 3HB TRP 90 3.244 -8.812 -17.558 687 HD1 TRP 90 HD1 TRP 90 1.792 -11.884 -15.747 688 HE1 TRP 90 HE1 TRP 90 -0.638 -12.209 -16.529 689 HE3 TRP 90 HE3 TRP 90 1.630 -8.310 -19.399 690 HZ2 TRP 90 HZ2 TRP 90 -2.392 -11.099 -18.442 691 HZ3 TRP 90 HZ3 TRP 90 -0.461 -8.006 -20.659 692 HH2 TRP 90 HH2 TRP 90 -2.429 -9.373 -20.189 693 H LEU 91 H LEU 91 5.250 -8.592 -18.988 694 HA LEU 91 HA LEU 91 7.631 -8.520 -17.319 695 HB2 LEU 91 2HB LEU 91 7.759 -9.797 -19.741 696 HB3 LEU 91 3HB LEU 91 8.280 -8.163 -20.147 697 HG LEU 91 HG LEU 91 9.591 -9.316 -17.784 698 HD11 LEU 91 1HD1 LEU 91 9.241 -11.220 -19.521 699 HD12 LEU 91 2HD1 LEU 91 10.832 -10.969 -18.802 700 HD13 LEU 91 3HD1 LEU 91 10.495 -10.373 -20.427 701 HD21 LEU 91 3HD2 LEU 91 10.023 -7.284 -19.672 702 HD22 LEU 91 1HD2 LEU 91 11.304 -8.470 -19.923 703 HD23 LEU 91 2HD2 LEU 91 11.068 -7.751 -18.329 704 H GLU 92 H GLU 92 8.844 -6.515 -17.554 705 HA GLU 92 HA GLU 92 7.080 -4.277 -17.895 706 HB2 GLU 92 2HB GLU 92 8.820 -2.951 -16.992 707 HB3 GLU 92 3HB GLU 92 8.896 -4.484 -16.136 708 HG2 GLU 92 2HG GLU 92 10.718 -5.188 -17.659 709 HG3 GLU 92 3HG GLU 92 10.687 -3.578 -18.376 710 H ARG 93 H ARG 93 7.112 -2.705 -19.454 711 HA ARG 93 HA ARG 93 8.984 -3.061 -21.693 712 HB2 ARG 93 2HB ARG 93 6.526 -3.948 -21.993 713 HB3 ARG 93 3HB ARG 93 6.157 -2.245 -22.229 714 HG2 ARG 93 2HG ARG 93 8.164 -2.395 -23.928 715 HG3 ARG 93 3HG ARG 93 7.725 -4.104 -23.932 716 HD2 ARG 93 2HD ARG 93 5.443 -3.536 -24.546 717 HD3 ARG 93 3HD ARG 93 5.833 -1.819 -24.475 718 HE ARG 93 HE ARG 93 7.600 -2.926 -26.278 719 HH11 ARG 93 1HH1 ARG 93 4.146 -2.619 -25.967 720 HH12 ARG 93 2HH1 ARG 93 3.863 -2.596 -27.676 721 HH21 ARG 93 1HH2 ARG 93 7.241 -2.897 -28.530 722 HH22 ARG 93 2HH2 ARG 93 5.624 -2.755 -29.133 723 HA PRO 94 HA PRO 94 9.206 1.300 -20.347 724 HB2 PRO 94 2HB PRO 94 11.789 1.618 -21.119 725 HB3 PRO 94 3HB PRO 94 11.331 0.909 -19.566 726 HG2 PRO 94 2HG PRO 94 12.153 -0.453 -22.102 727 HG3 PRO 94 3HG PRO 94 12.629 -0.815 -20.433 728 HD2 PRO 94 2HD PRO 94 10.735 -2.235 -21.749 729 HD3 PRO 94 3HD PRO 94 10.681 -1.967 -19.994 730 H ARG 95 H ARG 95 8.102 2.528 -21.757 731 HA ARG 95 HA ARG 95 9.273 2.938 -24.421 732 HB2 ARG 95 2HB ARG 95 6.459 2.206 -23.727 733 HB3 ARG 95 3HB ARG 95 6.745 3.270 -25.098 734 HG2 ARG 95 2HG ARG 95 8.348 0.788 -24.967 735 HG3 ARG 95 3HG ARG 95 6.627 0.625 -25.326 736 HD2 ARG 95 2HD ARG 95 8.301 2.624 -26.795 737 HD3 ARG 95 3HD ARG 95 8.318 0.926 -27.272 738 HE ARG 95 HE ARG 95 5.660 1.654 -27.102 739 HH11 ARG 95 1HH1 ARG 95 8.459 2.619 -28.934 740 HH12 ARG 95 2HH1 ARG 95 7.544 3.101 -30.325 741 HH21 ARG 95 1HH2 ARG 95 4.445 2.286 -28.926 742 HH22 ARG 95 2HH2 ARG 95 5.261 2.912 -30.318 743 H SER 96 H SER 96 8.732 4.990 -25.400 744 HA SER 96 HA SER 96 7.966 7.035 -23.420 745 HB2 SER 96 2HB SER 96 9.684 7.941 -25.627 746 HB3 SER 96 3HB SER 96 9.789 8.285 -23.901 747 HG SER 96 HG SER 96 10.413 5.699 -24.723 748 H LEU 97 H LEU 97 6.259 8.223 -23.946 749 HA LEU 97 HA LEU 97 5.205 8.048 -26.667 750 HB2 LEU 97 2HB LEU 97 3.858 9.357 -24.327 751 HB3 LEU 97 3HB LEU 97 3.126 8.715 -25.796 752 HG LEU 97 HG LEU 97 4.131 6.445 -24.802 753 HD11 LEU 97 1HD1 LEU 97 4.279 8.349 -22.626 754 HD12 LEU 97 2HD1 LEU 97 4.916 6.709 -22.739 755 HD13 LEU 97 3HD1 LEU 97 3.248 6.973 -22.232 756 HD21 LEU 97 3HD2 LEU 97 1.927 5.937 -24.022 757 HD22 LEU 97 1HD2 LEU 97 1.780 6.980 -25.436 758 HD23 LEU 97 2HD2 LEU 97 1.547 7.648 -23.820 759 H THR 98 H THR 98 6.099 9.529 -27.971 760 HA THR 98 HA THR 98 6.977 12.092 -27.098 761 HB THR 98 HB THR 98 7.487 12.560 -29.392 762 HG1 THR 98 HG1 THR 98 6.398 11.694 -31.007 763 HG21 THR 98 3HG2 THR 98 8.824 10.614 -30.015 764 HG22 THR 98 1HG2 THR 98 7.919 9.614 -28.879 765 HG23 THR 98 2HG2 THR 98 8.942 10.922 -28.282 766 H LEU 99 H LEU 99 6.149 14.151 -27.742 767 HA LEU 99 HA LEU 99 3.469 14.572 -27.241 768 HB2 LEU 99 2HB LEU 99 5.511 16.205 -27.425 769 HB3 LEU 99 3HB LEU 99 4.926 16.422 -29.073 770 HG LEU 99 HG LEU 99 4.112 18.191 -27.621 771 HD11 LEU 99 1HD1 LEU 99 1.650 16.606 -28.026 772 HD12 LEU 99 2HD1 LEU 99 2.667 16.877 -29.440 773 HD13 LEU 99 3HD1 LEU 99 2.040 18.251 -28.529 774 HD21 LEU 99 3HD2 LEU 99 2.624 17.744 -25.768 775 HD22 LEU 99 1HD2 LEU 99 4.157 16.910 -25.515 776 HD23 LEU 99 2HD2 LEU 99 2.742 16.007 -26.055 777 H LYS 100 H LYS 100 1.683 14.161 -28.348 778 HA LYS 100 HA LYS 100 1.835 13.345 -31.117 779 HB2 LYS 100 2HB LYS 100 0.390 12.087 -29.646 780 HB3 LYS 100 3HB LYS 100 -0.479 13.545 -29.183 781 HG2 LYS 100 2HG LYS 100 -1.771 12.214 -30.749 782 HG3 LYS 100 3HG LYS 100 -1.332 13.770 -31.456 783 HD2 LYS 100 2HD LYS 100 0.135 12.830 -32.951 784 HD3 LYS 100 3HD LYS 100 0.461 11.436 -31.918 785 HE2 LYS 100 2HE LYS 100 -0.797 10.636 -33.759 786 HE3 LYS 100 3HE LYS 100 -1.897 10.684 -32.383 787 HZ1 LYS 100 3HZ LYS 100 -3.240 11.906 -33.629 788 HZ2 LYS 100 1HZ LYS 100 -2.095 12.025 -34.870 789 HZ3 LYS 100 2HZ LYS 100 -2.094 13.150 -33.607 790 H GLU 101 H GLU 101 1.689 14.710 -32.760 791 HA GLU 101 HA GLU 101 -0.324 16.669 -33.000 792 HB2 GLU 101 2HB GLU 101 1.354 17.713 -31.333 793 HB3 GLU 101 3HB GLU 101 2.401 17.909 -32.731 794 HG2 GLU 101 2HG GLU 101 1.341 19.945 -32.621 795 HG3 GLU 101 3HG GLU 101 0.359 19.077 -33.800 796 H ARG 102 H ARG 102 -0.694 16.014 -35.047 797 HA ARG 102 HA ARG 102 -0.429 15.745 -37.290 798 HB2 ARG 102 2HB ARG 102 0.448 18.180 -36.842 799 HB3 ARG 102 3HB ARG 102 2.011 17.478 -37.238 800 HG2 ARG 102 2HG ARG 102 1.279 18.320 -39.264 801 HG3 ARG 102 3HG ARG 102 0.842 16.613 -39.361 802 HD2 ARG 102 2HD ARG 102 -1.048 17.774 -40.132 803 HD3 ARG 102 3HD ARG 102 -1.438 17.308 -38.477 804 HE ARG 102 HE ARG 102 -0.338 19.837 -38.334 805 HH11 ARG 102 1HH1 ARG 102 -3.101 18.332 -39.823 806 HH12 ARG 102 2HH1 ARG 102 -4.081 19.759 -39.751 807 HH21 ARG 102 1HH2 ARG 102 -1.618 21.723 -38.234 808 HH22 ARG 102 2HH2 ARG 102 -3.236 21.687 -38.848 809 H SER 103 H SER 103 0.445 13.604 -36.119 810 HA SER 103 HA SER 103 2.946 12.951 -37.518 811 HB2 SER 103 2HB SER 103 2.231 12.090 -34.704 812 HB3 SER 103 3HB SER 103 3.642 11.545 -35.610 813 HG SER 103 HG SER 103 4.612 13.363 -35.177 814 H LEU 104 H LEU 104 3.179 10.723 -38.098 815 HA LEU 104 HA LEU 104 0.604 9.296 -38.233 816 HB2 LEU 104 2HB LEU 104 2.891 9.388 -40.187 817 HB3 LEU 104 3HB LEU 104 1.573 8.223 -40.292 818 HG LEU 104 HG LEU 104 0.085 10.390 -40.310 819 HD11 LEU 104 1HD1 LEU 104 2.822 11.386 -40.781 820 HD12 LEU 104 2HD1 LEU 104 1.408 12.209 -40.124 821 HD13 LEU 104 3HD1 LEU 104 1.569 11.990 -41.866 822 HD21 LEU 104 3HD2 LEU 104 1.643 9.184 -42.573 823 HD22 LEU 104 1HD2 LEU 104 0.452 10.457 -42.845 824 HD23 LEU 104 2HD2 LEU 104 -0.044 8.925 -42.124 825 H GLU 105 H GLU 105 1.233 6.845 -38.952 826 HA GLU 105 HA GLU 105 3.418 5.865 -37.281 827 HB2 GLU 105 2HB GLU 105 1.952 4.207 -36.189 828 HB3 GLU 105 3HB GLU 105 1.517 5.859 -35.772 829 HG2 GLU 105 2HG GLU 105 -0.548 5.004 -36.166 830 HG3 GLU 105 3HG GLU 105 -0.150 5.575 -37.786 831 H HIS 106 H HIS 106 4.031 3.680 -37.739 832 HA HIS 106 HA HIS 106 3.021 2.688 -40.323 833 HB2 HIS 106 2HB HIS 106 5.839 2.938 -39.311 834 HB3 HIS 106 3HB HIS 106 5.429 1.739 -40.534 835 HD1 HIS 106 HD1 HIS 106 6.286 5.256 -40.115 836 HD2 HIS 106 HD2 HIS 106 4.361 2.936 -42.974 837 HE1 HIS 106 HE1 HIS 106 6.253 6.654 -42.205 838 H HIS 107 H HIS 107 1.625 1.623 -38.506 839 HA HIS 107 HA HIS 107 2.855 -0.985 -37.915 840 HB2 HIS 107 2HB HIS 107 2.601 0.496 -35.876 841 HB3 HIS 107 3HB HIS 107 0.859 0.383 -36.108 842 HD1 HIS 107 HD1 HIS 107 3.395 -2.427 -36.366 843 HD2 HIS 107 HD2 HIS 107 0.149 -1.253 -34.053 844 HE1 HIS 107 HE1 HIS 107 2.951 -4.349 -34.806 845 H HIS 108 H HIS 108 1.870 -2.457 -39.122 846 HA HIS 108 HA HIS 108 -1.061 -2.398 -39.297 847 HB2 HIS 108 2HB HIS 108 0.910 -2.459 -41.536 848 HB3 HIS 108 3HB HIS 108 -0.570 -3.398 -41.707 849 HD1 HIS 108 HD1 HIS 108 -2.845 -1.911 -41.316 850 HD2 HIS 108 HD2 HIS 108 0.645 0.141 -42.249 851 HE1 HIS 108 HE1 HIS 108 -3.590 0.351 -42.122 852 H HIS 109 H HIS 109 -1.702 -4.164 -38.253 853 HA HIS 109 HA HIS 109 -0.184 -6.657 -38.646 854 HB2 HIS 109 2HB HIS 109 -1.277 -7.381 -36.487 855 HB3 HIS 109 3HB HIS 109 -0.119 -6.063 -36.335 856 HD1 HIS 109 HD1 HIS 109 -3.783 -6.808 -36.118 857 HD2 HIS 109 HD2 HIS 109 -1.184 -3.626 -35.501 858 HE1 HIS 109 HE1 HIS 109 -5.139 -5.051 -34.934 859 H HIS 110 H HIS 110 -1.207 -8.448 -39.379 860 HA HIS 110 HA HIS 110 -3.877 -8.093 -40.452 861 HB2 HIS 110 2HB HIS 110 -3.489 -10.228 -41.579 862 HB3 HIS 110 3HB HIS 110 -2.128 -9.140 -41.833 863 HD1 HIS 110 HD1 HIS 110 -3.088 -12.163 -39.769 864 HD2 HIS 110 HD2 HIS 110 0.300 -10.129 -41.052 865 HE1 HIS 110 HE1 HIS 110 -1.142 -13.609 -39.102 866 H HIS 111 H HIS 111 -5.576 -9.666 -40.126 867 HA HIS 111 HA HIS 111 -5.926 -10.300 -37.365 868 HB2 HIS 111 2HB HIS 111 -8.113 -11.077 -37.991 869 HB3 HIS 111 3HB HIS 111 -7.775 -9.614 -38.911 870 HD1 HIS 111 HD1 HIS 111 -8.439 -13.244 -39.289 871 HD2 HIS 111 HD2 HIS 111 -7.365 -10.026 -41.688 872 HE1 HIS 111 HE1 HIS 111 -8.786 -14.023 -41.654 Start of MODEL 14 1 H1 ASP 1 H ASP 1 -4.112 -42.408 -16.356 2 HA ASP 1 HA ASP 1 -2.029 -42.256 -18.423 3 HB2 ASP 1 2HB ASP 1 -4.970 -41.683 -18.840 4 HB3 ASP 1 3HB ASP 1 -3.701 -41.378 -20.022 5 H LEU 2 H LEU 2 -1.178 -40.258 -18.771 6 HA LEU 2 HA LEU 2 -2.459 -37.848 -17.930 7 HB2 LEU 2 2HB LEU 2 -0.946 -37.206 -16.179 8 HB3 LEU 2 3HB LEU 2 -1.708 -38.739 -15.761 9 HG LEU 2 HG LEU 2 0.983 -38.777 -17.045 10 HD11 LEU 2 1HD1 LEU 2 2.108 -38.457 -14.965 11 HD12 LEU 2 2HD1 LEU 2 0.581 -38.319 -14.095 12 HD13 LEU 2 3HD1 LEU 2 1.064 -37.062 -15.234 13 HD21 LEU 2 3HD2 LEU 2 0.761 -40.931 -16.566 14 HD22 LEU 2 1HD2 LEU 2 -0.794 -40.620 -15.795 15 HD23 LEU 2 2HD2 LEU 2 0.691 -40.534 -14.848 16 H THR 3 H THR 3 -0.756 -35.978 -17.999 17 HA THR 3 HA THR 3 1.076 -36.508 -20.248 18 HB THR 3 HB THR 3 0.676 -33.988 -20.745 19 HG1 THR 3 HG1 THR 3 -0.832 -33.083 -19.582 20 HG21 THR 3 3HG2 THR 3 0.011 -35.701 -22.295 21 HG22 THR 3 1HG2 THR 3 -1.321 -34.559 -22.129 22 HG23 THR 3 2HG2 THR 3 -1.388 -36.117 -21.306 23 H VAL 4 H VAL 4 2.817 -34.803 -20.438 24 HA VAL 4 HA VAL 4 3.744 -34.000 -17.756 25 HB VAL 4 HB VAL 4 6.069 -34.292 -18.624 26 HG11 VAL 4 1HG1 VAL 4 4.590 -36.893 -18.819 27 HG12 VAL 4 2HG1 VAL 4 6.169 -36.565 -18.103 28 HG13 VAL 4 3HG1 VAL 4 4.701 -36.014 -17.294 29 HG21 VAL 4 3HG2 VAL 4 6.311 -35.807 -20.613 30 HG22 VAL 4 1HG2 VAL 4 4.602 -35.526 -20.946 31 HG23 VAL 4 2HG2 VAL 4 5.740 -34.179 -20.980 32 H ARG 5 H ARG 5 2.211 -32.465 -19.746 33 HA ARG 5 HA ARG 5 4.138 -30.505 -20.718 34 HB2 ARG 5 2HB ARG 5 1.149 -30.756 -21.079 35 HB3 ARG 5 3HB ARG 5 2.108 -29.438 -21.739 36 HG2 ARG 5 2HG ARG 5 3.231 -30.850 -23.229 37 HG3 ARG 5 3HG ARG 5 2.725 -32.303 -22.366 38 HD2 ARG 5 2HD ARG 5 1.483 -32.000 -24.460 39 HD3 ARG 5 3HD ARG 5 0.425 -31.938 -23.051 40 HE ARG 5 HE ARG 5 1.228 -29.329 -23.724 41 HH11 ARG 5 1HH1 ARG 5 -0.781 -31.916 -24.903 42 HH12 ARG 5 2HH1 ARG 5 -1.882 -30.861 -25.726 43 HH21 ARG 5 1HH2 ARG 5 -0.214 -27.930 -24.803 44 HH22 ARG 5 2HH2 ARG 5 -1.558 -28.594 -25.669 45 H GLN 6 H GLN 6 4.769 -29.827 -18.560 46 HA GLN 6 HA GLN 6 2.806 -27.994 -17.347 47 HB2 GLN 6 2HB GLN 6 3.602 -30.066 -16.013 48 HB3 GLN 6 3HB GLN 6 5.111 -29.183 -15.830 49 HG2 GLN 6 2HG GLN 6 4.132 -27.523 -14.540 50 HG3 GLN 6 3HG GLN 6 2.506 -27.916 -15.094 51 HE21 GLN 6 1HE2 GLN 6 2.683 -27.639 -12.514 52 HE22 GLN 6 2HE2 GLN 6 2.702 -29.152 -11.681 53 H LYS 7 H LYS 7 3.369 -25.911 -17.126 54 HA LYS 7 HA LYS 7 6.186 -25.175 -17.553 55 HB2 LYS 7 2HB LYS 7 4.459 -24.811 -19.518 56 HB3 LYS 7 3HB LYS 7 4.013 -23.395 -18.575 57 HG2 LYS 7 2HG LYS 7 6.255 -22.536 -18.710 58 HG3 LYS 7 3HG LYS 7 6.808 -24.007 -19.513 59 HD2 LYS 7 2HD LYS 7 4.612 -22.330 -20.682 60 HD3 LYS 7 3HD LYS 7 6.309 -21.932 -20.958 61 HE2 LYS 7 2HE LYS 7 6.708 -23.999 -22.044 62 HE3 LYS 7 3HE LYS 7 5.164 -24.659 -21.509 63 HZ1 LYS 7 3HZ LYS 7 5.146 -22.249 -23.175 64 HZ2 LYS 7 1HZ LYS 7 4.017 -23.506 -23.086 65 HZ3 LYS 7 2HZ LYS 7 5.471 -23.733 -23.920 66 H GLY 8 H GLY 8 6.436 -24.902 -15.306 67 HA2 GLY 8 2HA GLY 8 4.709 -23.063 -13.885 68 HA3 GLY 8 3HA GLY 8 6.110 -23.900 -13.231 69 H ASN 9 H ASN 9 4.897 -20.950 -14.260 70 HA ASN 9 HA ASN 9 7.540 -19.737 -13.996 71 HB2 ASN 9 2HB ASN 9 6.770 -18.176 -15.968 72 HB3 ASN 9 3HB ASN 9 7.552 -19.717 -16.308 73 HD21 ASN 9 1HD2 ASN 9 4.584 -17.931 -16.366 74 HD22 ASN 9 2HD2 ASN 9 3.689 -19.051 -17.331 75 H LYS 10 H LYS 10 7.483 -17.992 -12.732 76 HA LYS 10 HA LYS 10 5.035 -17.126 -11.565 77 HB2 LYS 10 2HB LYS 10 7.902 -16.291 -11.345 78 HB3 LYS 10 3HB LYS 10 6.649 -15.263 -10.663 79 HG2 LYS 10 2HG LYS 10 7.501 -16.690 -8.944 80 HG3 LYS 10 3HG LYS 10 5.854 -17.193 -9.330 81 HD2 LYS 10 2HD LYS 10 6.553 -19.135 -10.373 82 HD3 LYS 10 3HD LYS 10 8.164 -18.497 -10.709 83 HE2 LYS 10 2HE LYS 10 7.144 -19.138 -7.946 84 HE3 LYS 10 3HE LYS 10 8.082 -20.258 -8.933 85 HZ1 LYS 10 3HZ LYS 10 9.733 -18.283 -9.048 86 HZ2 LYS 10 1HZ LYS 10 9.698 -19.262 -7.668 87 HZ3 LYS 10 2HZ LYS 10 8.935 -17.753 -7.654 88 H VAL 11 H VAL 11 3.603 -15.990 -12.710 89 HA VAL 11 HA VAL 11 4.514 -13.526 -14.004 90 HB VAL 11 HB VAL 11 3.171 -13.899 -15.981 91 HG11 VAL 11 1HG1 VAL 11 4.395 -15.905 -16.923 92 HG12 VAL 11 2HG1 VAL 11 5.404 -14.633 -16.232 93 HG13 VAL 11 3HG1 VAL 11 5.098 -16.112 -15.320 94 HG21 VAL 11 3HG2 VAL 11 2.463 -16.529 -14.690 95 HG22 VAL 11 1HG2 VAL 11 1.371 -15.207 -15.102 96 HG23 VAL 11 2HG2 VAL 11 2.145 -16.142 -16.381 97 H ILE 12 H ILE 12 2.932 -11.896 -14.157 98 HA ILE 12 HA ILE 12 0.623 -12.324 -12.383 99 HB ILE 12 HB ILE 12 1.847 -9.670 -13.131 100 HG12 ILE 12 2HG1 ILE 12 2.311 -11.344 -10.652 101 HG13 ILE 12 3HG1 ILE 12 3.489 -11.048 -11.925 102 HG21 ILE 12 1HG2 ILE 12 0.426 -9.881 -10.607 103 HG22 ILE 12 2HG2 ILE 12 0.230 -8.723 -11.923 104 HG23 ILE 12 3HG2 ILE 12 -0.591 -10.282 -11.991 105 HD11 ILE 12 3HD1 ILE 12 2.971 -8.530 -11.306 106 HD12 ILE 12 1HD1 ILE 12 2.539 -9.265 -9.763 107 HD13 ILE 12 2HD1 ILE 12 4.159 -9.489 -10.424 108 H LYS 13 H LYS 13 -1.356 -12.231 -13.213 109 HA LYS 13 HA LYS 13 -1.704 -10.984 -15.862 110 HB2 LYS 13 2HB LYS 13 -3.690 -12.628 -16.015 111 HB3 LYS 13 3HB LYS 13 -2.065 -13.256 -16.256 112 HG2 LYS 13 2HG LYS 13 -3.157 -13.326 -13.504 113 HG3 LYS 13 3HG LYS 13 -3.836 -14.448 -14.685 114 HD2 LYS 13 2HD LYS 13 -0.871 -14.190 -14.439 115 HD3 LYS 13 3HD LYS 13 -1.761 -15.134 -13.242 116 HE2 LYS 13 2HE LYS 13 -2.085 -15.569 -16.198 117 HE3 LYS 13 3HE LYS 13 -0.836 -16.386 -15.260 118 HZ1 LYS 13 3HZ LYS 13 -2.476 -17.909 -15.064 119 HZ2 LYS 13 1HZ LYS 13 -3.724 -16.782 -15.251 120 HZ3 LYS 13 2HZ LYS 13 -2.934 -16.930 -13.763 121 HA PRO 14 HA PRO 14 -4.799 -8.346 -14.212 122 HB2 PRO 14 2HB PRO 14 -6.570 -8.210 -16.265 123 HB3 PRO 14 3HB PRO 14 -4.985 -7.428 -16.310 124 HG2 PRO 14 2HG PRO 14 -5.849 -10.029 -17.515 125 HG3 PRO 14 3HG PRO 14 -4.838 -8.752 -18.216 126 HD2 PRO 14 2HD PRO 14 -3.798 -11.016 -17.156 127 HD3 PRO 14 3HD PRO 14 -2.951 -9.457 -17.097 128 H ASP 15 H ASP 15 -6.393 -8.653 -12.793 129 HA ASP 15 HA ASP 15 -8.292 -10.856 -13.263 130 HB2 ASP 15 2HB ASP 15 -6.721 -10.141 -10.832 131 HB3 ASP 15 3HB ASP 15 -8.355 -10.758 -10.604 132 H GLU 16 H GLU 16 -10.195 -10.534 -11.533 133 HA GLU 16 HA GLU 16 -11.640 -8.290 -12.405 134 HB2 GLU 16 2HB GLU 16 -12.067 -10.225 -10.136 135 HB3 GLU 16 3HB GLU 16 -13.192 -8.916 -10.469 136 HG2 GLU 16 2HG GLU 16 -12.448 -11.154 -12.338 137 HG3 GLU 16 3HG GLU 16 -13.969 -10.972 -11.466 138 H THR 17 H THR 17 -9.316 -8.640 -9.929 139 HA THR 17 HA THR 17 -10.224 -6.264 -8.491 140 HB THR 17 HB THR 17 -8.294 -6.759 -6.965 141 HG1 THR 17 HG1 THR 17 -7.050 -8.498 -7.325 142 HG21 THR 17 3HG2 THR 17 -10.320 -8.951 -7.417 143 HG22 THR 17 1HG2 THR 17 -10.502 -7.540 -6.375 144 HG23 THR 17 2HG2 THR 17 -9.324 -8.789 -5.971 145 H ARG 18 H ARG 18 -9.300 -5.964 -11.197 146 HA ARG 18 HA ARG 18 -6.653 -4.774 -10.973 147 HB2 ARG 18 2HB ARG 18 -8.480 -5.490 -13.218 148 HB3 ARG 18 3HB ARG 18 -7.302 -4.212 -13.487 149 HG2 ARG 18 2HG ARG 18 -6.328 -6.743 -12.292 150 HG3 ARG 18 3HG ARG 18 -6.778 -6.756 -13.998 151 HD2 ARG 18 2HD ARG 18 -4.598 -6.139 -14.209 152 HD3 ARG 18 3HD ARG 18 -5.319 -4.542 -14.010 153 HE ARG 18 HE ARG 18 -4.589 -5.669 -11.505 154 HH11 ARG 18 1HH1 ARG 18 -3.291 -4.101 -14.329 155 HH12 ARG 18 2HH1 ARG 18 -1.924 -3.440 -13.494 156 HH21 ARG 18 1HH2 ARG 18 -2.793 -4.804 -10.394 157 HH22 ARG 18 2HH2 ARG 18 -1.642 -3.841 -11.256 158 H VAL 19 H VAL 19 -6.540 -2.621 -12.411 159 HA VAL 19 HA VAL 19 -8.545 -0.788 -11.265 160 HB VAL 19 HB VAL 19 -6.387 -0.361 -10.282 161 HG11 VAL 19 1HG1 VAL 19 -5.316 0.026 -13.074 162 HG12 VAL 19 2HG1 VAL 19 -4.413 0.147 -11.562 163 HG13 VAL 19 3HG1 VAL 19 -5.050 -1.412 -12.089 164 HG21 VAL 19 3HG2 VAL 19 -6.289 1.934 -10.614 165 HG22 VAL 19 1HG2 VAL 19 -6.652 1.801 -12.335 166 HG23 VAL 19 2HG2 VAL 19 -7.924 1.538 -11.143 167 H LYS 20 H LYS 20 -9.658 0.500 -12.604 168 HA LYS 20 HA LYS 20 -8.677 0.964 -15.318 169 HB2 LYS 20 2HB LYS 20 -11.508 0.048 -14.825 170 HB3 LYS 20 3HB LYS 20 -10.703 0.269 -16.372 171 HG2 LYS 20 2HG LYS 20 -10.562 -1.986 -16.217 172 HG3 LYS 20 3HG LYS 20 -9.076 -1.564 -15.364 173 HD2 LYS 20 2HD LYS 20 -9.968 -3.004 -13.839 174 HD3 LYS 20 3HD LYS 20 -10.737 -1.513 -13.290 175 HE2 LYS 20 2HE LYS 20 -12.557 -2.897 -13.401 176 HE3 LYS 20 3HE LYS 20 -12.583 -2.214 -15.026 177 HZ1 LYS 20 3HZ LYS 20 -12.513 -4.875 -14.373 178 HZ2 LYS 20 1HZ LYS 20 -10.939 -4.535 -14.893 179 HZ3 LYS 20 2HZ LYS 20 -12.254 -4.209 -15.906 180 H GLN 21 H GLN 21 -9.520 2.822 -16.316 181 HA GLN 21 HA GLN 21 -11.316 4.496 -14.726 182 HB2 GLN 21 2HB GLN 21 -8.520 5.201 -15.563 183 HB3 GLN 21 3HB GLN 21 -9.731 6.456 -15.338 184 HG2 GLN 21 2HG GLN 21 -10.094 5.432 -13.024 185 HG3 GLN 21 3HG GLN 21 -8.575 4.584 -13.307 186 HE21 GLN 21 1HE2 GLN 21 -7.154 6.516 -14.657 187 HE22 GLN 21 2HE2 GLN 21 -6.843 7.844 -13.597 188 H PHE 22 H PHE 22 -11.493 6.722 -16.126 189 HA PHE 22 HA PHE 22 -13.043 6.097 -18.335 190 HB2 PHE 22 2HB PHE 22 -12.975 8.286 -17.049 191 HB3 PHE 22 3HB PHE 22 -11.558 8.705 -18.007 192 HD1 PHE 22 HD2 PHE 22 -11.894 8.460 -20.613 193 HD2 PHE 22 HD1 PHE 22 -15.037 8.966 -17.787 194 HE1 PHE 22 HE2 PHE 22 -13.355 9.318 -22.397 195 HE2 PHE 22 HE1 PHE 22 -16.503 9.824 -19.567 196 HZ PHE 22 HZ PHE 22 -15.663 10.003 -21.875 197 H LEU 23 H LEU 23 -9.945 7.838 -18.585 198 HA LEU 23 HA LEU 23 -9.597 7.293 -21.319 199 HB2 LEU 23 2HB LEU 23 -7.733 8.169 -19.140 200 HB3 LEU 23 3HB LEU 23 -7.152 7.877 -20.778 201 HG LEU 23 HG LEU 23 -7.532 10.245 -20.408 202 HD11 LEU 23 1HD1 LEU 23 -9.719 10.145 -22.149 203 HD12 LEU 23 2HD1 LEU 23 -8.794 8.675 -22.456 204 HD13 LEU 23 3HD1 LEU 23 -8.010 10.251 -22.573 205 HD21 LEU 23 3HD2 LEU 23 -9.507 11.180 -19.669 206 HD22 LEU 23 1HD2 LEU 23 -9.425 9.705 -18.706 207 HD23 LEU 23 2HD2 LEU 23 -10.469 9.774 -20.126 208 H GLU 24 H GLU 24 -8.415 5.653 -18.423 209 HA GLU 24 HA GLU 24 -6.637 3.872 -19.623 210 HB2 GLU 24 2HB GLU 24 -8.160 3.960 -17.084 211 HB3 GLU 24 3HB GLU 24 -7.576 2.378 -17.582 212 HG2 GLU 24 2HG GLU 24 -5.681 2.926 -16.567 213 HG3 GLU 24 3HG GLU 24 -5.378 3.972 -17.953 214 H GLY 25 H GLY 25 -10.079 3.969 -19.689 215 HA2 GLY 25 2HA GLY 25 -10.513 1.203 -20.279 216 HA3 GLY 25 3HA GLY 25 -11.671 2.508 -20.494 217 H PHE 26 H PHE 26 -9.093 3.621 -22.073 218 HA PHE 26 HA PHE 26 -9.897 2.348 -24.606 219 HB2 PHE 26 2HB PHE 26 -8.847 5.158 -24.215 220 HB3 PHE 26 3HB PHE 26 -9.401 4.450 -25.729 221 HD1 PHE 26 HD1 PHE 26 -10.495 5.532 -22.369 222 HD2 PHE 26 HD2 PHE 26 -11.675 4.460 -26.315 223 HE1 PHE 26 HE1 PHE 26 -12.776 6.327 -21.899 224 HE2 PHE 26 HE2 PHE 26 -13.957 5.255 -25.852 225 HZ PHE 26 HZ PHE 26 -14.510 6.191 -23.642 226 H ASN 27 H ASN 27 -8.017 3.101 -26.317 227 HA ASN 27 HA ASN 27 -5.750 1.540 -25.522 228 HB2 ASN 27 2HB ASN 27 -6.580 2.960 -28.027 229 HB3 ASN 27 3HB ASN 27 -4.918 2.404 -27.855 230 HD21 ASN 27 1HD2 ASN 27 -6.522 1.437 -29.841 231 HD22 ASN 27 2HD2 ASN 27 -6.898 -0.221 -29.533 232 H ILE 28 H ILE 28 -3.603 2.209 -25.313 233 HA ILE 28 HA ILE 28 -3.290 4.880 -24.255 234 HB ILE 28 HB ILE 28 -2.232 2.911 -23.169 235 HG12 ILE 28 2HG1 ILE 28 -0.019 3.988 -22.812 236 HG13 ILE 28 3HG1 ILE 28 -0.346 5.054 -24.174 237 HG21 ILE 28 1HG2 ILE 28 -1.626 1.880 -25.434 238 HG22 ILE 28 2HG2 ILE 28 -0.211 2.931 -25.384 239 HG23 ILE 28 3HG2 ILE 28 -0.459 1.725 -24.121 240 HD11 ILE 28 3HD1 ILE 28 -1.092 5.345 -21.444 241 HD12 ILE 28 1HD1 ILE 28 -1.315 6.468 -22.785 242 HD13 ILE 28 2HD1 ILE 28 -2.548 5.256 -22.436 243 H GLU 29 H GLU 29 -2.586 3.192 -27.193 244 HA GLU 29 HA GLU 29 -0.602 5.045 -28.131 245 HB2 GLU 29 2HB GLU 29 -0.808 3.845 -30.267 246 HB3 GLU 29 3HB GLU 29 -0.588 2.740 -28.918 247 HG2 GLU 29 2HG GLU 29 -2.900 2.145 -28.937 248 HG3 GLU 29 3HG GLU 29 -3.262 3.395 -30.126 249 H THR 30 H THR 30 -4.069 4.702 -28.376 250 HA THR 30 HA THR 30 -4.562 6.402 -30.544 251 HB THR 30 HB THR 30 -6.824 6.747 -29.492 252 HG1 THR 30 HG1 THR 30 -5.796 6.349 -27.286 253 HG21 THR 30 3HG2 THR 30 -7.440 4.298 -29.601 254 HG22 THR 30 1HG2 THR 30 -5.724 3.960 -29.824 255 HG23 THR 30 2HG2 THR 30 -6.593 4.933 -31.011 256 H PHE 31 H PHE 31 -3.570 7.088 -27.319 257 HA PHE 31 HA PHE 31 -4.455 9.837 -27.348 258 HB2 PHE 31 2HB PHE 31 -2.508 8.542 -25.434 259 HB3 PHE 31 3HB PHE 31 -3.438 10.015 -25.178 260 HD1 PHE 31 HD2 PHE 31 -6.077 9.015 -26.260 261 HD2 PHE 31 HD1 PHE 31 -3.247 7.273 -23.599 262 HE1 PHE 31 HE2 PHE 31 -7.874 7.698 -25.216 263 HE2 PHE 31 HE1 PHE 31 -5.040 5.952 -22.552 264 HZ PHE 31 HZ PHE 31 -7.357 6.165 -23.359 265 H GLU 32 H GLU 32 -2.945 11.643 -27.095 266 HA GLU 32 HA GLU 32 -0.238 11.241 -28.060 267 HB2 GLU 32 2HB GLU 32 -2.203 12.967 -29.577 268 HB3 GLU 32 3HB GLU 32 -0.480 12.853 -29.904 269 HG2 GLU 32 2HG GLU 32 -0.735 10.495 -30.468 270 HG3 GLU 32 3HG GLU 32 -2.462 10.599 -30.130 271 H MET 33 H MET 33 1.088 12.545 -26.986 272 HA MET 33 HA MET 33 0.270 14.321 -25.021 273 HB2 MET 33 2HB MET 33 2.496 13.423 -24.988 274 HB3 MET 33 3HB MET 33 2.875 14.161 -26.538 275 HG2 MET 33 2HG MET 33 2.631 16.387 -25.492 276 HG3 MET 33 3HG MET 33 2.378 15.592 -23.940 277 HE1 MET 33 3HE MET 33 5.351 17.580 -23.872 278 HE2 MET 33 1HE MET 33 3.898 17.028 -23.038 279 HE3 MET 33 2HE MET 33 5.471 16.353 -22.610 280 H VAL 34 H VAL 34 -0.534 16.312 -25.062 281 HA VAL 34 HA VAL 34 -0.353 17.842 -27.567 282 HB VAL 34 HB VAL 34 -2.303 19.105 -26.766 283 HG11 VAL 34 1HG1 VAL 34 -2.908 16.167 -26.564 284 HG12 VAL 34 2HG1 VAL 34 -3.924 17.453 -27.217 285 HG13 VAL 34 3HG1 VAL 34 -2.475 16.945 -28.086 286 HG21 VAL 34 3HG2 VAL 34 -1.926 18.930 -24.371 287 HG22 VAL 34 1HG2 VAL 34 -3.532 18.330 -24.783 288 HG23 VAL 34 2HG2 VAL 34 -2.231 17.194 -24.431 289 H GLY 35 H GLY 35 0.229 17.971 -24.112 290 HA2 GLY 35 2HA GLY 35 2.092 20.125 -24.437 291 HA3 GLY 35 3HA GLY 35 0.615 20.643 -23.639 292 H THR 36 H THR 36 2.402 21.109 -21.994 293 HA THR 36 HA THR 36 2.245 19.068 -19.966 294 HB THR 36 HB THR 36 4.947 19.573 -19.791 295 HG1 THR 36 HG1 THR 36 4.285 19.098 -22.526 296 HG21 THR 36 3HG2 THR 36 5.186 17.218 -20.622 297 HG22 THR 36 1HG2 THR 36 3.470 17.249 -21.025 298 HG23 THR 36 2HG2 THR 36 3.985 17.426 -19.348 299 H LEU 37 H LEU 37 1.925 20.061 -18.089 300 HA LEU 37 HA LEU 37 2.808 22.854 -17.816 301 HB2 LEU 37 2HB LEU 37 0.361 22.370 -17.703 302 HB3 LEU 37 3HB LEU 37 0.669 21.421 -16.250 303 HG LEU 37 HG LEU 37 -0.219 23.785 -15.938 304 HD11 LEU 37 1HD1 LEU 37 1.558 22.228 -14.446 305 HD12 LEU 37 2HD1 LEU 37 0.528 23.537 -13.865 306 HD13 LEU 37 3HD1 LEU 37 2.185 23.875 -14.366 307 HD21 LEU 37 3HD2 LEU 37 2.545 24.794 -16.128 308 HD22 LEU 37 1HD2 LEU 37 1.013 25.602 -16.459 309 HD23 LEU 37 2HD2 LEU 37 1.714 24.517 -17.659 310 H SER 38 H SER 38 3.997 23.502 -16.074 311 HA SER 38 HA SER 38 4.581 21.582 -13.953 312 HB2 SER 38 2HB SER 38 6.855 21.437 -14.311 313 HB3 SER 38 3HB SER 38 6.292 21.553 -15.978 314 HG SER 38 HG SER 38 7.579 23.210 -16.064 315 H ASN 39 H ASN 39 4.694 22.534 -12.018 316 HA ASN 39 HA ASN 39 5.669 25.209 -11.664 317 HB2 ASN 39 2HB ASN 39 3.576 26.125 -10.715 318 HB3 ASN 39 3HB ASN 39 3.418 25.743 -12.427 319 HD21 ASN 39 1HD2 ASN 39 1.132 26.018 -11.271 320 HD22 ASN 39 2HD2 ASN 39 0.372 24.511 -10.900 321 H ALA 40 H ALA 40 4.843 25.871 -9.229 322 HA ALA 40 HA ALA 40 6.286 24.280 -7.491 323 HB1 ALA 40 1HB ALA 40 4.014 26.168 -6.893 324 HB2 ALA 40 2HB ALA 40 5.082 25.475 -5.672 325 HB3 ALA 40 3HB ALA 40 5.738 26.542 -6.913 326 H GLN 41 H GLN 41 2.951 24.000 -8.491 327 HA GLN 41 HA GLN 41 2.041 22.283 -6.455 328 HB2 GLN 41 2HB GLN 41 1.082 22.292 -9.316 329 HB3 GLN 41 3HB GLN 41 0.179 21.809 -7.886 330 HG2 GLN 41 2HG GLN 41 0.406 24.188 -7.086 331 HG3 GLN 41 3HG GLN 41 1.013 24.577 -8.695 332 HE21 GLN 41 1HE2 GLN 41 -1.680 22.781 -7.233 333 HE22 GLN 41 2HE2 GLN 41 -2.894 23.405 -8.292 334 H GLY 42 H GLY 42 3.800 21.700 -9.432 335 HA2 GLY 42 2HA GLY 42 5.183 19.518 -8.906 336 HA3 GLY 42 3HA GLY 42 3.586 18.805 -9.076 337 H THR 43 H THR 43 4.386 17.569 -10.845 338 HA THR 43 HA THR 43 4.737 19.140 -13.315 339 HB THR 43 HB THR 43 5.689 16.308 -13.103 340 HG1 THR 43 HG1 THR 43 6.535 17.799 -11.343 341 HG21 THR 43 3HG2 THR 43 5.647 17.463 -15.284 342 HG22 THR 43 1HG2 THR 43 7.284 17.044 -14.783 343 HG23 THR 43 2HG2 THR 43 6.713 18.706 -14.629 344 H PHE 44 H PHE 44 3.067 19.017 -14.650 345 HA PHE 44 HA PHE 44 1.486 16.531 -14.702 346 HB2 PHE 44 2HB PHE 44 0.373 19.274 -15.286 347 HB3 PHE 44 3HB PHE 44 -0.518 17.779 -15.021 348 HD1 PHE 44 HD2 PHE 44 1.425 20.445 -13.406 349 HD2 PHE 44 HD1 PHE 44 -0.999 16.996 -12.822 350 HE1 PHE 44 HE2 PHE 44 1.220 20.998 -11.017 351 HE2 PHE 44 HE1 PHE 44 -1.208 17.543 -10.432 352 HZ PHE 44 HZ PHE 44 -0.097 19.546 -9.526 353 H ALA 45 H ALA 45 0.849 15.745 -16.685 354 HA ALA 45 HA ALA 45 2.042 17.083 -19.025 355 HB1 ALA 45 1HB ALA 45 2.257 14.382 -18.069 356 HB2 ALA 45 2HB ALA 45 1.562 14.407 -19.691 357 HB3 ALA 45 3HB ALA 45 3.119 15.176 -19.387 358 H LEU 46 H LEU 46 0.693 17.770 -20.550 359 HA LEU 46 HA LEU 46 -2.129 17.129 -20.351 360 HB2 LEU 46 2HB LEU 46 -0.922 18.859 -22.472 361 HB3 LEU 46 3HB LEU 46 -2.524 18.948 -21.744 362 HG LEU 46 HG LEU 46 0.089 19.815 -20.516 363 HD11 LEU 46 1HD1 LEU 46 -0.548 21.955 -20.906 364 HD12 LEU 46 2HD1 LEU 46 -2.268 21.586 -20.785 365 HD13 LEU 46 3HD1 LEU 46 -1.383 21.189 -22.258 366 HD21 LEU 46 3HD2 LEU 46 -1.090 18.916 -18.706 367 HD22 LEU 46 1HD2 LEU 46 -2.644 19.477 -19.323 368 HD23 LEU 46 2HD2 LEU 46 -1.484 20.635 -18.672 369 H VAL 47 H VAL 47 -3.050 15.539 -21.450 370 HA VAL 47 HA VAL 47 -1.888 14.746 -24.037 371 HB VAL 47 HB VAL 47 -1.440 13.130 -22.095 372 HG11 VAL 47 1HG1 VAL 47 -4.085 11.924 -22.550 373 HG12 VAL 47 2HG1 VAL 47 -3.114 12.017 -21.078 374 HG13 VAL 47 3HG1 VAL 47 -4.081 13.402 -21.588 375 HG21 VAL 47 3HG2 VAL 47 -1.572 11.247 -23.531 376 HG22 VAL 47 1HG2 VAL 47 -2.904 11.953 -24.446 377 HG23 VAL 47 2HG2 VAL 47 -1.287 12.645 -24.567 378 H LYS 48 H LYS 48 -3.395 13.702 -25.503 379 HA LYS 48 HA LYS 48 -6.173 14.567 -25.036 380 HB2 LYS 48 2HB LYS 48 -5.162 15.844 -26.827 381 HB3 LYS 48 3HB LYS 48 -4.619 14.371 -27.621 382 HG2 LYS 48 2HG LYS 48 -7.424 14.179 -27.262 383 HG3 LYS 48 3HG LYS 48 -7.065 15.766 -27.947 384 HD2 LYS 48 2HD LYS 48 -6.233 14.891 -29.888 385 HD3 LYS 48 3HD LYS 48 -5.687 13.403 -29.110 386 HE2 LYS 48 2HE LYS 48 -8.576 14.104 -29.608 387 HE3 LYS 48 3HE LYS 48 -7.601 13.097 -30.678 388 HZ1 LYS 48 3HZ LYS 48 -8.485 11.473 -29.410 389 HZ2 LYS 48 1HZ LYS 48 -8.740 12.477 -28.073 390 HZ3 LYS 48 2HZ LYS 48 -7.199 11.852 -28.380 391 H GLY 49 H GLY 49 -7.783 13.109 -25.250 392 HA2 GLY 49 2HA GLY 49 -7.505 10.691 -26.759 393 HA3 GLY 49 3HA GLY 49 -7.375 10.402 -25.030 394 H ALA 50 H ALA 50 -9.285 9.103 -25.211 395 HA ALA 50 HA ALA 50 -11.743 9.855 -26.194 396 HB1 ALA 50 1HB ALA 50 -11.007 8.122 -23.855 397 HB2 ALA 50 2HB ALA 50 -12.680 8.348 -24.368 398 HB3 ALA 50 3HB ALA 50 -11.507 7.634 -25.475 399 H GLY 51 H GLY 51 -12.616 11.818 -25.862 400 HA2 GLY 51 2HA GLY 51 -14.178 12.880 -24.237 401 HA3 GLY 51 3HA GLY 51 -12.881 12.723 -23.061 402 H GLY 52 H GLY 52 -10.862 13.437 -25.148 403 HA2 GLY 52 2HA GLY 52 -10.714 15.556 -26.534 404 HA3 GLY 52 3HA GLY 52 -11.372 16.345 -25.108 405 H VAL 53 H VAL 53 -10.013 17.024 -23.551 406 HA VAL 53 HA VAL 53 -7.178 16.258 -23.821 407 HB VAL 53 HB VAL 53 -6.671 18.480 -22.763 408 HG11 VAL 53 1HG1 VAL 53 -8.154 18.964 -25.309 409 HG12 VAL 53 2HG1 VAL 53 -6.575 19.562 -24.797 410 HG13 VAL 53 3HG1 VAL 53 -6.762 17.882 -25.300 411 HG21 VAL 53 3HG2 VAL 53 -8.259 19.995 -22.239 412 HG22 VAL 53 1HG2 VAL 53 -9.277 19.558 -23.611 413 HG23 VAL 53 2HG2 VAL 53 -9.299 18.573 -22.148 414 H HIS 54 H HIS 54 -5.990 15.849 -21.967 415 HA HIS 54 HA HIS 54 -7.321 15.998 -19.379 416 HB2 HIS 54 2HB HIS 54 -5.989 13.408 -19.837 417 HB3 HIS 54 3HB HIS 54 -7.480 13.773 -18.973 418 HD1 HIS 54 HD1 HIS 54 -9.652 13.414 -20.206 419 HD2 HIS 54 HD2 HIS 54 -6.323 13.066 -22.666 420 HE1 HIS 54 HE1 HIS 54 -10.519 12.510 -22.386 421 H ARG 55 H ARG 55 -5.799 15.405 -17.584 422 HA ARG 55 HA ARG 55 -3.000 15.944 -18.315 423 HB2 ARG 55 2HB ARG 55 -2.797 17.364 -16.300 424 HB3 ARG 55 3HB ARG 55 -3.929 18.018 -17.476 425 HG2 ARG 55 2HG ARG 55 -5.709 16.766 -16.043 426 HG3 ARG 55 3HG ARG 55 -4.460 16.825 -14.798 427 HD2 ARG 55 2HD ARG 55 -5.199 18.871 -14.318 428 HD3 ARG 55 3HD ARG 55 -4.485 19.387 -15.845 429 HE ARG 55 HE ARG 55 -6.996 18.402 -16.450 430 HH11 ARG 55 1HH1 ARG 55 -5.649 20.967 -14.518 431 HH12 ARG 55 2HH1 ARG 55 -7.024 22.005 -14.705 432 HH21 ARG 55 1HH2 ARG 55 -8.811 19.760 -16.703 433 HH22 ARG 55 2HH2 ARG 55 -8.822 21.317 -15.947 434 H VAL 56 H VAL 56 -1.470 14.809 -17.212 435 HA VAL 56 HA VAL 56 -2.282 13.208 -14.901 436 HB VAL 56 HB VAL 56 -1.023 11.237 -15.901 437 HG11 VAL 56 1HG1 VAL 56 -3.520 11.929 -17.422 438 HG12 VAL 56 2HG1 VAL 56 -2.968 10.345 -16.873 439 HG13 VAL 56 3HG1 VAL 56 -3.546 11.533 -15.704 440 HG21 VAL 56 3HG2 VAL 56 -1.493 12.783 -18.450 441 HG22 VAL 56 1HG2 VAL 56 0.076 12.456 -17.713 442 HG23 VAL 56 2HG2 VAL 56 -0.899 11.126 -18.337 443 H ARG 57 H ARG 57 -0.805 13.305 -13.343 444 HA ARG 57 HA ARG 57 1.842 14.374 -13.990 445 HB2 ARG 57 2HB ARG 57 2.025 14.687 -11.509 446 HB3 ARG 57 3HB ARG 57 0.721 15.593 -12.264 447 HG2 ARG 57 2HG ARG 57 -0.922 14.139 -11.411 448 HG3 ARG 57 3HG ARG 57 0.278 12.927 -10.958 449 HD2 ARG 57 2HD ARG 57 1.232 14.713 -9.400 450 HD3 ARG 57 3HD ARG 57 -0.272 15.590 -9.681 451 HE ARG 57 HE ARG 57 -0.746 12.897 -8.879 452 HH11 ARG 57 1HH1 ARG 57 0.092 16.062 -7.696 453 HH12 ARG 57 2HH1 ARG 57 -0.552 15.783 -6.112 454 HH21 ARG 57 1HH2 ARG 57 -1.597 12.518 -6.797 455 HH22 ARG 57 2HH2 ARG 57 -1.511 13.767 -5.601 456 H VAL 58 H VAL 58 3.631 13.508 -12.471 457 HA VAL 58 HA VAL 58 4.265 10.920 -13.161 458 HB VAL 58 HB VAL 58 5.183 12.344 -10.659 459 HG11 VAL 58 1HG1 VAL 58 5.831 10.085 -10.483 460 HG12 VAL 58 2HG1 VAL 58 6.262 9.993 -12.192 461 HG13 VAL 58 3HG1 VAL 58 7.254 10.938 -11.081 462 HG21 VAL 58 3HG2 VAL 58 5.632 13.794 -12.473 463 HG22 VAL 58 1HG2 VAL 58 7.146 12.955 -12.137 464 HG23 VAL 58 2HG2 VAL 58 6.151 12.462 -13.506 465 H GLY 59 H GLY 59 3.421 9.022 -12.630 466 HA2 GLY 59 2HA GLY 59 3.003 7.401 -10.861 467 HA3 GLY 59 3HA GLY 59 2.288 8.703 -9.922 468 H ASP 60 H ASP 60 0.838 9.781 -12.238 469 HA ASP 60 HA ASP 60 -1.595 8.457 -11.906 470 HB2 ASP 60 2HB ASP 60 -0.569 10.418 -13.934 471 HB3 ASP 60 3HB ASP 60 -2.166 9.700 -14.128 472 H TYR 61 H TYR 61 -2.894 7.521 -13.773 473 HA TYR 61 HA TYR 61 -1.212 5.754 -15.420 474 HB2 TYR 61 2HB TYR 61 -3.740 4.964 -13.959 475 HB3 TYR 61 3HB TYR 61 -2.818 3.928 -15.043 476 HD1 TYR 61 HD2 TYR 61 -2.889 5.520 -11.738 477 HD2 TYR 61 HD1 TYR 61 -0.729 2.934 -14.338 478 HE1 TYR 61 HE2 TYR 61 -1.512 4.773 -9.842 479 HE2 TYR 61 HE1 TYR 61 0.653 2.179 -12.448 480 HH TYR 61 HH TYR 61 0.092 3.400 -9.160 481 H LEU 62 H LEU 62 -2.020 5.202 -17.448 482 HA LEU 62 HA LEU 62 -4.602 6.201 -18.296 483 HB2 LEU 62 2HB LEU 62 -3.414 7.352 -20.285 484 HB3 LEU 62 3HB LEU 62 -3.547 8.197 -18.744 485 HG LEU 62 HG LEU 62 -1.070 6.638 -19.289 486 HD11 LEU 62 1HD1 LEU 62 -0.149 8.108 -20.764 487 HD12 LEU 62 2HD1 LEU 62 -1.172 9.447 -20.244 488 HD13 LEU 62 3HD1 LEU 62 -1.830 8.189 -21.291 489 HD21 LEU 62 3HD2 LEU 62 -2.019 8.629 -17.434 490 HD22 LEU 62 1HD2 LEU 62 -0.538 9.162 -18.230 491 HD23 LEU 62 2HD2 LEU 62 -0.569 7.626 -17.364 492 H GLY 63 H GLY 63 -5.265 5.384 -20.347 493 HA2 GLY 63 2HA GLY 63 -5.252 3.924 -22.143 494 HA3 GLY 63 3HA GLY 63 -3.546 3.628 -21.841 495 H ARG 64 H ARG 64 -5.368 1.617 -22.557 496 HA ARG 64 HA ARG 64 -6.280 0.192 -20.261 497 HB2 ARG 64 2HB ARG 64 -6.098 -0.338 -23.183 498 HB3 ARG 64 3HB ARG 64 -6.237 -1.729 -22.116 499 HG2 ARG 64 2HG ARG 64 -8.290 -0.799 -21.170 500 HG3 ARG 64 3HG ARG 64 -8.151 0.592 -22.247 501 HD2 ARG 64 2HD ARG 64 -9.725 -1.231 -22.999 502 HD3 ARG 64 3HD ARG 64 -8.499 -0.742 -24.168 503 HE ARG 64 HE ARG 64 -7.716 -2.983 -22.550 504 HH11 ARG 64 1HH1 ARG 64 -9.417 -1.981 -25.418 505 HH12 ARG 64 2HH1 ARG 64 -9.232 -3.507 -26.218 506 HH21 ARG 64 1HH2 ARG 64 -7.467 -4.996 -23.593 507 HH22 ARG 64 2HH2 ARG 64 -8.124 -5.221 -25.179 508 H ASN 65 H ASN 65 -3.227 0.685 -21.537 509 HA ASN 65 HA ASN 65 -2.168 -1.899 -20.693 510 HB2 ASN 65 2HB ASN 65 -0.782 0.479 -21.953 511 HB3 ASN 65 3HB ASN 65 -0.032 -1.080 -21.621 512 HD21 ASN 65 1HD2 ASN 65 -1.982 -2.821 -22.396 513 HD22 ASN 65 2HD2 ASN 65 -2.250 -2.679 -24.097 514 H ASP 66 H ASP 66 -3.229 0.333 -18.895 515 HA ASP 66 HA ASP 66 -2.718 1.323 -16.906 516 HB2 ASP 66 2HB ASP 66 -2.324 -1.193 -16.504 517 HB3 ASP 66 3HB ASP 66 -0.609 -0.797 -16.567 518 H GLY 67 H GLY 67 -1.431 2.509 -19.070 519 HA2 GLY 67 2HA GLY 67 1.333 2.829 -18.851 520 HA3 GLY 67 3HA GLY 67 0.232 4.023 -19.522 521 H LYS 68 H LYS 68 2.170 3.124 -16.834 522 HA LYS 68 HA LYS 68 1.102 5.221 -15.123 523 HB2 LYS 68 2HB LYS 68 1.728 3.085 -14.105 524 HB3 LYS 68 3HB LYS 68 3.376 3.275 -14.691 525 HG2 LYS 68 2HG LYS 68 3.386 5.453 -13.323 526 HG3 LYS 68 3HG LYS 68 1.965 4.778 -12.522 527 HD2 LYS 68 2HD LYS 68 3.852 4.175 -11.208 528 HD3 LYS 68 3HD LYS 68 3.337 2.718 -12.062 529 HE2 LYS 68 2HE LYS 68 5.091 3.021 -13.702 530 HE3 LYS 68 3HE LYS 68 5.564 4.546 -12.955 531 HZ1 LYS 68 3HZ LYS 68 6.068 3.258 -10.910 532 HZ2 LYS 68 1HZ LYS 68 7.058 2.866 -12.225 533 HZ3 LYS 68 2HZ LYS 68 5.795 1.832 -11.780 534 H VAL 69 H VAL 69 1.844 7.231 -15.146 535 HA VAL 69 HA VAL 69 3.961 8.071 -16.814 536 HB VAL 69 HB VAL 69 2.653 9.557 -14.531 537 HG11 VAL 69 1HG1 VAL 69 4.774 10.563 -15.113 538 HG12 VAL 69 2HG1 VAL 69 4.342 10.552 -16.824 539 HG13 VAL 69 3HG1 VAL 69 3.455 11.578 -15.696 540 HG21 VAL 69 3HG2 VAL 69 0.896 9.188 -15.962 541 HG22 VAL 69 1HG2 VAL 69 1.551 10.681 -16.633 542 HG23 VAL 69 2HG2 VAL 69 1.927 9.133 -17.391 543 H VAL 70 H VAL 70 6.083 8.143 -16.484 544 HA VAL 70 HA VAL 70 7.079 7.944 -13.716 545 HB VAL 70 HB VAL 70 8.942 6.627 -14.465 546 HG11 VAL 70 1HG1 VAL 70 6.224 5.779 -14.724 547 HG12 VAL 70 2HG1 VAL 70 7.220 4.919 -15.899 548 HG13 VAL 70 3HG1 VAL 70 7.628 4.860 -14.184 549 HG21 VAL 70 3HG2 VAL 70 9.165 5.906 -16.811 550 HG22 VAL 70 1HG2 VAL 70 7.814 6.955 -17.244 551 HG23 VAL 70 2HG2 VAL 70 9.313 7.655 -16.632 552 H GLY 71 H GLY 71 7.421 9.395 -16.875 553 HA2 GLY 71 2HA GLY 71 9.182 11.422 -15.683 554 HA3 GLY 71 3HA GLY 71 9.695 10.625 -17.163 555 H ILE 72 H ILE 72 8.966 13.468 -16.495 556 HA ILE 72 HA ILE 72 7.088 13.837 -18.727 557 HB ILE 72 HB ILE 72 7.054 15.385 -16.134 558 HG12 ILE 72 2HG1 ILE 72 4.932 13.624 -17.378 559 HG13 ILE 72 3HG1 ILE 72 6.003 13.120 -16.075 560 HG21 ILE 72 1HG2 ILE 72 5.069 16.512 -17.158 561 HG22 ILE 72 2HG2 ILE 72 6.611 16.904 -17.916 562 HG23 ILE 72 3HG2 ILE 72 5.512 15.764 -18.692 563 HD11 ILE 72 3HD1 ILE 72 5.065 15.140 -14.804 564 HD12 ILE 72 1HD1 ILE 72 3.786 15.123 -16.018 565 HD13 ILE 72 2HD1 ILE 72 4.045 13.714 -14.990 566 H SER 73 H SER 73 8.302 14.704 -20.283 567 HA SER 73 HA SER 73 10.372 16.652 -19.582 568 HB2 SER 73 2HB SER 73 9.890 15.584 -22.352 569 HB3 SER 73 3HB SER 73 11.389 16.189 -21.646 570 HG SER 73 HG SER 73 10.067 13.822 -20.806 571 H GLU 74 H GLU 74 10.569 18.137 -21.850 572 HA GLU 74 HA GLU 74 8.177 19.797 -21.659 573 HB2 GLU 74 2HB GLU 74 9.519 21.535 -22.715 574 HB3 GLU 74 3HB GLU 74 10.371 20.856 -21.335 575 HG2 GLU 74 2HG GLU 74 11.617 19.399 -22.960 576 HG3 GLU 74 3HG GLU 74 10.900 20.362 -24.250 577 H GLY 75 H GLY 75 9.630 17.550 -23.772 578 HA2 GLY 75 2HA GLY 75 7.672 18.272 -25.852 579 HA3 GLY 75 3HA GLY 75 9.345 17.957 -26.289 580 H LYS 76 H LYS 76 8.319 16.042 -23.706 581 HA LYS 76 HA LYS 76 7.040 13.950 -25.154 582 HB2 LYS 76 2HB LYS 76 8.835 12.290 -25.050 583 HB3 LYS 76 3HB LYS 76 9.300 13.657 -26.054 584 HG2 LYS 76 2HG LYS 76 10.071 13.739 -23.194 585 HG3 LYS 76 3HG LYS 76 10.922 12.603 -24.243 586 HD2 LYS 76 2HD LYS 76 10.567 15.410 -25.173 587 HD3 LYS 76 3HD LYS 76 11.773 15.080 -23.928 588 HE2 LYS 76 2HE LYS 76 12.705 13.307 -25.438 589 HE3 LYS 76 3HE LYS 76 11.610 13.888 -26.691 590 HZ1 LYS 76 3HZ LYS 76 12.679 16.013 -26.657 591 HZ2 LYS 76 1HZ LYS 76 13.872 14.827 -26.840 592 HZ3 LYS 76 2HZ LYS 76 13.646 15.574 -25.340 593 H ILE 77 H ILE 77 6.412 12.200 -23.813 594 HA ILE 77 HA ILE 77 6.892 12.632 -20.938 595 HB ILE 77 HB ILE 77 4.296 11.788 -22.232 596 HG12 ILE 77 2HG1 ILE 77 4.598 14.196 -20.491 597 HG13 ILE 77 3HG1 ILE 77 5.166 14.292 -22.154 598 HG21 ILE 77 1HG2 ILE 77 5.265 11.749 -19.426 599 HG22 ILE 77 2HG2 ILE 77 3.590 12.213 -19.716 600 HG23 ILE 77 3HG2 ILE 77 4.177 10.643 -20.264 601 HD11 ILE 77 3HD1 ILE 77 2.380 13.504 -21.336 602 HD12 ILE 77 1HD1 ILE 77 2.867 15.118 -21.853 603 HD13 ILE 77 2HD1 ILE 77 2.970 13.763 -22.977 604 H ASP 78 H ASP 78 7.889 10.964 -20.044 605 HA ASP 78 HA ASP 78 7.893 8.378 -21.370 606 HB2 ASP 78 2HB ASP 78 9.341 9.220 -18.852 607 HB3 ASP 78 3HB ASP 78 9.654 7.780 -19.817 608 H VAL 79 H VAL 79 6.609 6.749 -20.825 609 HA VAL 79 HA VAL 79 5.605 6.551 -18.081 610 HB VAL 79 HB VAL 79 3.333 6.183 -18.752 611 HG11 VAL 79 1HG1 VAL 79 4.445 8.585 -18.683 612 HG12 VAL 79 2HG1 VAL 79 3.947 8.592 -20.376 613 HG13 VAL 79 3HG1 VAL 79 2.748 8.358 -19.104 614 HG21 VAL 79 3HG2 VAL 79 3.177 5.141 -20.757 615 HG22 VAL 79 1HG2 VAL 79 2.932 6.790 -21.332 616 HG23 VAL 79 2HG2 VAL 79 4.524 6.042 -21.453 617 H ILE 80 H ILE 80 5.043 4.456 -17.430 618 HA ILE 80 HA ILE 80 6.248 2.355 -19.066 619 HB ILE 80 HB ILE 80 5.587 2.611 -16.164 620 HG12 ILE 80 2HG1 ILE 80 7.843 3.155 -17.151 621 HG13 ILE 80 3HG1 ILE 80 7.869 1.953 -15.865 622 HG21 ILE 80 1HG2 ILE 80 5.812 0.034 -17.693 623 HG22 ILE 80 2HG2 ILE 80 6.140 0.142 -15.964 624 HG23 ILE 80 3HG2 ILE 80 4.539 0.544 -16.585 625 HD11 ILE 80 3HD1 ILE 80 8.137 0.181 -17.443 626 HD12 ILE 80 1HD1 ILE 80 7.898 1.286 -18.796 627 HD13 ILE 80 2HD1 ILE 80 9.339 1.425 -17.787 628 H GLU 81 H GLU 81 4.992 1.185 -20.344 629 HA GLU 81 HA GLU 81 2.164 0.829 -19.612 630 HB2 GLU 81 2HB GLU 81 3.552 0.758 -22.291 631 HB3 GLU 81 3HB GLU 81 1.891 0.232 -22.058 632 HG2 GLU 81 2HG GLU 81 1.120 2.358 -21.690 633 HG3 GLU 81 3HG GLU 81 2.686 2.947 -21.134 634 H ILE 82 H ILE 82 1.175 -1.245 -20.104 635 HA ILE 82 HA ILE 82 3.047 -3.445 -19.596 636 HB ILE 82 HB ILE 82 0.040 -3.459 -19.333 637 HG12 ILE 82 2HG1 ILE 82 0.994 -1.878 -17.748 638 HG13 ILE 82 3HG1 ILE 82 0.461 -3.322 -16.895 639 HG21 ILE 82 1HG2 ILE 82 1.599 -5.364 -17.776 640 HG22 ILE 82 2HG2 ILE 82 0.176 -5.620 -18.784 641 HG23 ILE 82 3HG2 ILE 82 1.779 -5.575 -19.517 642 HD11 ILE 82 3HD1 ILE 82 3.068 -2.124 -17.025 643 HD12 ILE 82 1HD1 ILE 82 2.464 -3.395 -15.963 644 HD13 ILE 82 2HD1 ILE 82 3.122 -3.807 -17.547 645 H VAL 83 H VAL 83 3.460 -4.937 -21.090 646 HA VAL 83 HA VAL 83 1.601 -5.216 -23.358 647 HB VAL 83 HB VAL 83 3.528 -3.945 -24.130 648 HG11 VAL 83 1HG1 VAL 83 5.299 -6.277 -23.472 649 HG12 VAL 83 2HG1 VAL 83 5.755 -4.632 -23.920 650 HG13 VAL 83 3HG1 VAL 83 5.051 -4.953 -22.334 651 HG21 VAL 83 3HG2 VAL 83 3.467 -6.802 -25.092 652 HG22 VAL 83 1HG2 VAL 83 2.547 -5.439 -25.729 653 HG23 VAL 83 2HG2 VAL 83 4.299 -5.491 -25.928 654 HA PRO 84 HA PRO 84 1.704 -9.491 -22.230 655 HB2 PRO 84 2HB PRO 84 0.483 -10.466 -24.449 656 HB3 PRO 84 3HB PRO 84 -0.390 -9.620 -23.166 657 HG2 PRO 84 2HG PRO 84 0.581 -8.581 -25.800 658 HG3 PRO 84 3HG PRO 84 -0.971 -8.300 -24.990 659 HD2 PRO 84 2HD PRO 84 1.044 -6.492 -24.944 660 HD3 PRO 84 3HD PRO 84 -0.095 -6.687 -23.596 661 H ASP 85 H ASP 85 2.886 -11.330 -22.685 662 HA ASP 85 HA ASP 85 5.090 -10.976 -24.538 663 HB2 ASP 85 2HB ASP 85 5.657 -11.824 -22.360 664 HB3 ASP 85 3HB ASP 85 4.467 -13.115 -22.496 665 H GLY 86 H GLY 86 2.153 -12.833 -24.263 666 HA2 GLY 86 2HA GLY 86 1.327 -13.455 -26.580 667 HA3 GLY 86 3HA GLY 86 2.867 -14.288 -26.731 668 H GLU 87 H GLU 87 2.964 -15.317 -24.067 669 HA GLU 87 HA GLU 87 1.129 -17.545 -24.414 670 HB2 GLU 87 2HB GLU 87 2.504 -18.755 -22.942 671 HB3 GLU 87 3HB GLU 87 3.621 -17.767 -23.873 672 HG2 GLU 87 2HG GLU 87 3.660 -16.138 -22.008 673 HG3 GLU 87 3HG GLU 87 2.652 -17.242 -21.074 674 H GLY 88 H GLY 88 1.668 -14.844 -22.264 675 HA2 GLY 88 2HA GLY 88 -0.772 -14.419 -21.294 676 HA3 GLY 88 3HA GLY 88 -0.294 -15.817 -20.342 677 H ASN 89 H ASN 89 2.569 -14.666 -20.602 678 HA ASN 89 HA ASN 89 2.427 -13.166 -18.130 679 HB2 ASN 89 2HB ASN 89 4.764 -13.468 -17.967 680 HB3 ASN 89 3HB ASN 89 4.164 -14.964 -18.677 681 HD21 ASN 89 1HD2 ASN 89 4.943 -15.606 -20.583 682 HD22 ASN 89 2HD2 ASN 89 6.024 -14.689 -21.571 683 H TRP 90 H TRP 90 2.662 -11.023 -17.900 684 HA TRP 90 HA TRP 90 2.937 -9.425 -20.331 685 HB2 TRP 90 2HB TRP 90 2.165 -8.566 -17.534 686 HB3 TRP 90 3HB TRP 90 2.097 -7.567 -18.983 687 HD1 TRP 90 HD1 TRP 90 0.428 -10.742 -17.526 688 HE1 TRP 90 HE1 TRP 90 -1.951 -10.905 -18.494 689 HE3 TRP 90 HE3 TRP 90 0.592 -6.781 -20.755 690 HZ2 TRP 90 HZ2 TRP 90 -3.547 -9.536 -20.377 691 HZ3 TRP 90 HZ3 TRP 90 -1.403 -6.276 -22.103 692 HH2 TRP 90 HH2 TRP 90 -3.429 -7.626 -21.917 693 H LEU 91 H LEU 91 4.199 -7.365 -20.148 694 HA LEU 91 HA LEU 91 6.454 -7.473 -18.306 695 HB2 LEU 91 2HB LEU 91 6.633 -7.804 -21.266 696 HB3 LEU 91 3HB LEU 91 7.919 -6.952 -20.415 697 HG LEU 91 HG LEU 91 7.065 -9.721 -19.621 698 HD11 LEU 91 1HD1 LEU 91 8.472 -10.715 -21.140 699 HD12 LEU 91 2HD1 LEU 91 9.417 -9.249 -21.392 700 HD13 LEU 91 3HD1 LEU 91 7.811 -9.395 -22.104 701 HD21 LEU 91 3HD2 LEU 91 9.162 -7.814 -18.871 702 HD22 LEU 91 1HD2 LEU 91 9.732 -9.459 -19.155 703 HD23 LEU 91 2HD2 LEU 91 8.467 -9.157 -17.963 704 H GLU 92 H GLU 92 7.678 -5.488 -18.233 705 HA GLU 92 HA GLU 92 6.004 -3.186 -18.533 706 HB2 GLU 92 2HB GLU 92 8.909 -3.418 -17.728 707 HB3 GLU 92 3HB GLU 92 7.949 -1.950 -17.621 708 HG2 GLU 92 2HG GLU 92 6.385 -3.236 -16.112 709 HG3 GLU 92 3HG GLU 92 7.619 -4.493 -16.063 710 H ARG 93 H ARG 93 6.305 -1.396 -19.863 711 HA ARG 93 HA ARG 93 8.346 -1.532 -21.940 712 HB2 ARG 93 2HB ARG 93 6.017 -2.634 -22.583 713 HB3 ARG 93 3HB ARG 93 5.570 -0.956 -22.861 714 HG2 ARG 93 2HG ARG 93 6.287 -1.840 -24.934 715 HG3 ARG 93 3HG ARG 93 7.568 -0.770 -24.362 716 HD2 ARG 93 2HD ARG 93 8.993 -2.519 -23.876 717 HD3 ARG 93 3HD ARG 93 7.677 -3.679 -23.703 718 HE ARG 93 HE ARG 93 7.621 -2.952 -26.337 719 HH11 ARG 93 1HH1 ARG 93 10.013 -4.286 -24.188 720 HH12 ARG 93 2HH1 ARG 93 10.840 -5.156 -25.438 721 HH21 ARG 93 1HH2 ARG 93 8.700 -4.093 -27.991 722 HH22 ARG 93 2HH2 ARG 93 10.093 -5.045 -27.601 723 HA PRO 94 HA PRO 94 7.893 2.737 -20.378 724 HB2 PRO 94 2HB PRO 94 10.498 3.380 -20.790 725 HB3 PRO 94 3HB PRO 94 9.935 2.531 -19.345 726 HG2 PRO 94 2HG PRO 94 11.219 1.424 -21.813 727 HG3 PRO 94 3HG PRO 94 11.521 1.014 -20.115 728 HD2 PRO 94 2HD PRO 94 9.982 -0.519 -21.733 729 HD3 PRO 94 3HD PRO 94 9.679 -0.367 -19.990 730 H ARG 95 H ARG 95 6.634 3.468 -22.105 731 HA ARG 95 HA ARG 95 8.021 4.070 -24.618 732 HB2 ARG 95 2HB ARG 95 5.976 2.876 -24.957 733 HB3 ARG 95 3HB ARG 95 5.095 3.965 -23.893 734 HG2 ARG 95 2HG ARG 95 4.530 4.463 -26.166 735 HG3 ARG 95 3HG ARG 95 5.485 5.794 -25.510 736 HD2 ARG 95 2HD ARG 95 7.488 4.448 -26.536 737 HD3 ARG 95 3HD ARG 95 6.225 3.743 -27.544 738 HE ARG 95 HE ARG 95 6.009 6.558 -27.547 739 HH11 ARG 95 1HH1 ARG 95 7.986 3.975 -28.787 740 HH12 ARG 95 2HH1 ARG 95 8.498 4.862 -30.183 741 HH21 ARG 95 1HH2 ARG 95 6.676 7.737 -29.382 742 HH22 ARG 95 2HH2 ARG 95 7.754 7.002 -30.520 743 H SER 96 H SER 96 7.942 6.150 -25.543 744 HA SER 96 HA SER 96 7.398 8.302 -23.603 745 HB2 SER 96 2HB SER 96 9.154 9.148 -25.721 746 HB3 SER 96 3HB SER 96 9.455 9.104 -23.984 747 HG SER 96 HG SER 96 10.214 7.037 -24.170 748 H LEU 97 H LEU 97 5.811 9.644 -24.119 749 HA LEU 97 HA LEU 97 4.775 9.638 -26.852 750 HB2 LEU 97 2HB LEU 97 3.516 11.095 -24.565 751 HB3 LEU 97 3HB LEU 97 2.758 10.412 -26.002 752 HG LEU 97 HG LEU 97 3.770 8.916 -23.588 753 HD11 LEU 97 1HD1 LEU 97 1.027 9.394 -24.733 754 HD12 LEU 97 2HD1 LEU 97 1.651 9.935 -23.175 755 HD13 LEU 97 3HD1 LEU 97 1.380 8.217 -23.467 756 HD21 LEU 97 3HD2 LEU 97 2.863 7.954 -26.280 757 HD22 LEU 97 1HD2 LEU 97 2.692 6.954 -24.837 758 HD23 LEU 97 2HD2 LEU 97 4.292 7.485 -25.357 759 H THR 98 H THR 98 5.874 11.033 -28.102 760 HA THR 98 HA THR 98 6.879 13.535 -27.108 761 HB THR 98 HB THR 98 7.660 13.938 -29.375 762 HG1 THR 98 HG1 THR 98 6.727 13.003 -31.029 763 HG21 THR 98 3HG2 THR 98 8.355 11.701 -27.788 764 HG22 THR 98 1HG2 THR 98 9.364 12.571 -28.943 765 HG23 THR 98 2HG2 THR 98 8.412 11.184 -29.472 766 H LEU 99 H LEU 99 6.255 15.622 -27.806 767 HA LEU 99 HA LEU 99 3.541 16.166 -27.776 768 HB2 LEU 99 2HB LEU 99 5.941 17.635 -27.951 769 HB3 LEU 99 3HB LEU 99 4.902 18.202 -29.256 770 HG LEU 99 HG LEU 99 3.527 18.010 -26.687 771 HD11 LEU 99 1HD1 LEU 99 6.084 19.496 -26.909 772 HD12 LEU 99 2HD1 LEU 99 5.335 18.728 -25.510 773 HD13 LEU 99 3HD1 LEU 99 4.739 20.285 -26.085 774 HD21 LEU 99 3HD2 LEU 99 2.432 19.128 -28.435 775 HD22 LEU 99 1HD2 LEU 99 3.872 20.051 -28.863 776 HD23 LEU 99 2HD2 LEU 99 3.006 20.412 -27.370 777 H LYS 100 H LYS 100 2.028 15.668 -29.204 778 HA LYS 100 HA LYS 100 0.915 15.348 -31.162 779 HB2 LYS 100 2HB LYS 100 1.896 17.702 -31.528 780 HB3 LYS 100 3HB LYS 100 3.072 16.907 -32.567 781 HG2 LYS 100 2HG LYS 100 1.274 17.788 -33.900 782 HG3 LYS 100 3HG LYS 100 1.227 16.024 -33.938 783 HD2 LYS 100 2HD LYS 100 -0.355 17.165 -31.771 784 HD3 LYS 100 3HD LYS 100 -0.893 17.687 -33.369 785 HE2 LYS 100 2HE LYS 100 -0.356 14.800 -32.743 786 HE3 LYS 100 3HE LYS 100 -1.915 15.547 -32.400 787 HZ1 LYS 100 3HZ LYS 100 -0.930 14.578 -34.855 788 HZ2 LYS 100 1HZ LYS 100 -1.237 16.235 -35.004 789 HZ3 LYS 100 2HZ LYS 100 -2.466 15.189 -34.499 790 H GLU 101 H GLU 101 2.216 13.185 -30.515 791 HA GLU 101 HA GLU 101 4.202 12.308 -32.345 792 HB2 GLU 101 2HB GLU 101 3.634 11.377 -30.010 793 HB3 GLU 101 3HB GLU 101 2.362 10.477 -30.824 794 HG2 GLU 101 2HG GLU 101 3.938 9.290 -32.150 795 HG3 GLU 101 3HG GLU 101 5.258 10.327 -31.612 796 H ARG 102 H ARG 102 3.885 10.375 -33.775 797 HA ARG 102 HA ARG 102 1.684 10.909 -35.572 798 HB2 ARG 102 2HB ARG 102 4.151 10.347 -36.181 799 HB3 ARG 102 3HB ARG 102 3.659 8.678 -35.925 800 HG2 ARG 102 2HG ARG 102 1.759 9.201 -37.573 801 HG3 ARG 102 3HG ARG 102 2.723 10.616 -38.003 802 HD2 ARG 102 2HD ARG 102 4.585 9.217 -38.621 803 HD3 ARG 102 3HD ARG 102 3.741 7.779 -38.047 804 HE ARG 102 HE ARG 102 2.234 9.113 -40.047 805 HH11 ARG 102 1HH1 ARG 102 5.004 7.055 -39.587 806 HH12 ARG 102 2HH1 ARG 102 4.899 6.342 -41.162 807 HH21 ARG 102 1HH2 ARG 102 2.086 8.183 -42.124 808 HH22 ARG 102 2HH2 ARG 102 3.240 6.985 -42.605 809 H SER 103 H SER 103 0.136 9.388 -36.252 810 HA SER 103 HA SER 103 -0.699 7.576 -34.159 811 HB2 SER 103 2HB SER 103 -2.694 7.231 -35.633 812 HB3 SER 103 3HB SER 103 -2.409 8.920 -35.212 813 HG SER 103 HG SER 103 -2.471 7.756 -37.644 814 H LEU 104 H LEU 104 -0.817 5.369 -34.270 815 HA LEU 104 HA LEU 104 -0.214 3.932 -36.685 816 HB2 LEU 104 2HB LEU 104 2.015 4.704 -35.714 817 HB3 LEU 104 3HB LEU 104 1.701 3.575 -34.398 818 HG LEU 104 HG LEU 104 1.726 2.649 -37.250 819 HD11 LEU 104 1HD1 LEU 104 4.093 2.058 -36.948 820 HD12 LEU 104 2HD1 LEU 104 4.107 2.945 -35.425 821 HD13 LEU 104 3HD1 LEU 104 3.832 3.802 -36.941 822 HD21 LEU 104 3HD2 LEU 104 2.803 0.752 -35.527 823 HD22 LEU 104 1HD2 LEU 104 1.183 0.753 -36.224 824 HD23 LEU 104 2HD2 LEU 104 1.458 1.459 -34.631 825 H GLU 105 H GLU 105 -1.328 2.094 -36.654 826 HA GLU 105 HA GLU 105 -2.495 1.201 -34.140 827 HB2 GLU 105 2HB GLU 105 -3.026 0.552 -37.030 828 HB3 GLU 105 3HB GLU 105 -3.721 -0.408 -35.732 829 HG2 GLU 105 2HG GLU 105 -4.911 1.480 -34.880 830 HG3 GLU 105 3HG GLU 105 -4.089 2.564 -36.002 831 H HIS 106 H HIS 106 -1.089 0.002 -32.989 832 HA HIS 106 HA HIS 106 0.575 -1.984 -34.316 833 HB2 HIS 106 2HB HIS 106 1.266 -0.394 -32.355 834 HB3 HIS 106 3HB HIS 106 0.480 -1.602 -31.344 835 HD1 HIS 106 HD1 HIS 106 2.327 -2.878 -30.299 836 HD2 HIS 106 HD2 HIS 106 2.992 -2.219 -34.347 837 HE1 HIS 106 HE1 HIS 106 4.434 -4.137 -30.848 838 H HIS 107 H HIS 107 -1.521 -2.038 -31.427 839 HA HIS 107 HA HIS 107 -2.854 -3.659 -30.547 840 HB2 HIS 107 2HB HIS 107 -3.125 -4.183 -33.496 841 HB3 HIS 107 3HB HIS 107 -3.951 -5.198 -32.317 842 HD1 HIS 107 HD1 HIS 107 -4.807 -2.649 -34.446 843 HD2 HIS 107 HD2 HIS 107 -5.277 -3.102 -30.343 844 HE1 HIS 107 HE1 HIS 107 -6.678 -1.094 -33.807 845 H HIS 108 H HIS 108 -0.229 -4.210 -30.234 846 HA HIS 108 HA HIS 108 1.280 -5.863 -29.813 847 HB2 HIS 108 2HB HIS 108 -0.782 -6.669 -28.555 848 HB3 HIS 108 3HB HIS 108 -1.067 -7.758 -29.909 849 HD1 HIS 108 HD1 HIS 108 2.292 -7.015 -28.327 850 HD2 HIS 108 HD2 HIS 108 -0.420 -10.137 -28.729 851 HE1 HIS 108 HE1 HIS 108 3.450 -9.037 -27.382 852 H HIS 109 H HIS 109 0.991 -5.185 -32.520 853 HA HIS 109 HA HIS 109 1.509 -5.892 -34.622 854 HB2 HIS 109 2HB HIS 109 3.455 -6.787 -33.172 855 HB3 HIS 109 3HB HIS 109 2.701 -8.363 -33.389 856 HD1 HIS 109 HD1 HIS 109 3.151 -5.636 -35.991 857 HD2 HIS 109 HD2 HIS 109 4.364 -9.529 -35.196 858 HE1 HIS 109 HE1 HIS 109 4.430 -6.371 -38.028 859 H HIS 110 H HIS 110 -1.061 -6.404 -34.085 860 HA HIS 110 HA HIS 110 -1.501 -8.976 -35.429 861 HB2 HIS 110 2HB HIS 110 -1.965 -9.021 -32.891 862 HB3 HIS 110 3HB HIS 110 -3.363 -8.018 -33.267 863 HD1 HIS 110 HD1 HIS 110 -5.413 -9.366 -33.456 864 HD2 HIS 110 HD2 HIS 110 -2.073 -11.471 -34.751 865 HE1 HIS 110 HE1 HIS 110 -6.271 -11.624 -34.155 866 H HIS 111 H HIS 111 -3.023 -8.951 -37.007 867 HA HIS 111 HA HIS 111 -3.898 -6.431 -37.996 868 HB2 HIS 111 2HB HIS 111 -3.357 -8.404 -39.431 869 HB3 HIS 111 3HB HIS 111 -4.822 -9.184 -38.842 870 HD1 HIS 111 HD1 HIS 111 -6.568 -9.053 -40.572 871 HD2 HIS 111 HD2 HIS 111 -4.267 -5.596 -40.454 872 HE1 HIS 111 HE1 HIS 111 -7.557 -7.528 -42.310 Start of MODEL 15 1 H1 ASP 1 H ASP 1 -2.766 -20.465 -29.147 2 HA ASP 1 HA ASP 1 -5.100 -20.663 -27.987 3 HB2 ASP 1 2HB ASP 1 -4.551 -22.387 -29.504 4 HB3 ASP 1 3HB ASP 1 -3.201 -22.939 -28.517 5 H LEU 2 H LEU 2 -5.842 -20.454 -25.990 6 HA LEU 2 HA LEU 2 -4.148 -21.141 -23.725 7 HB2 LEU 2 2HB LEU 2 -6.863 -19.831 -23.810 8 HB3 LEU 2 3HB LEU 2 -5.849 -20.012 -22.380 9 HG LEU 2 HG LEU 2 -5.083 -18.392 -24.805 10 HD11 LEU 2 1HD1 LEU 2 -6.327 -17.539 -22.198 11 HD12 LEU 2 2HD1 LEU 2 -7.005 -17.361 -23.816 12 HD13 LEU 2 3HD1 LEU 2 -5.576 -16.438 -23.353 13 HD21 LEU 2 3HD2 LEU 2 -3.364 -19.402 -23.105 14 HD22 LEU 2 1HD2 LEU 2 -3.922 -18.082 -22.077 15 HD23 LEU 2 2HD2 LEU 2 -3.210 -17.732 -23.652 16 H THR 3 H THR 3 -4.170 -23.325 -23.473 17 HA THR 3 HA THR 3 -6.796 -24.625 -23.167 18 HB THR 3 HB THR 3 -5.393 -25.609 -24.934 19 HG1 THR 3 HG1 THR 3 -5.563 -27.344 -22.680 20 HG21 THR 3 3HG2 THR 3 -3.244 -26.290 -24.659 21 HG22 THR 3 1HG2 THR 3 -3.491 -26.755 -22.977 22 HG23 THR 3 2HG2 THR 3 -3.262 -25.058 -23.398 23 H VAL 4 H VAL 4 -5.797 -23.099 -21.054 24 HA VAL 4 HA VAL 4 -5.380 -23.178 -18.817 25 HB VAL 4 HB VAL 4 -6.194 -26.078 -19.034 26 HG11 VAL 4 1HG1 VAL 4 -6.057 -26.163 -16.817 27 HG12 VAL 4 2HG1 VAL 4 -5.260 -24.589 -16.862 28 HG13 VAL 4 3HG1 VAL 4 -7.008 -24.688 -16.647 29 HG21 VAL 4 3HG2 VAL 4 -8.427 -24.909 -18.200 30 HG22 VAL 4 1HG2 VAL 4 -7.764 -23.562 -19.125 31 HG23 VAL 4 2HG2 VAL 4 -8.061 -25.112 -19.913 32 H ARG 5 H ARG 5 -3.078 -22.967 -19.563 33 HA ARG 5 HA ARG 5 -1.516 -25.286 -18.634 34 HB2 ARG 5 2HB ARG 5 -1.146 -23.524 -21.011 35 HB3 ARG 5 3HB ARG 5 0.291 -24.120 -20.190 36 HG2 ARG 5 2HG ARG 5 -0.354 -26.392 -20.573 37 HG3 ARG 5 3HG ARG 5 -1.920 -25.887 -21.212 38 HD2 ARG 5 2HD ARG 5 -0.638 -26.359 -23.112 39 HD3 ARG 5 3HD ARG 5 -0.587 -24.602 -22.971 40 HE ARG 5 HE ARG 5 1.669 -24.739 -22.647 41 HH11 ARG 5 1HH1 ARG 5 0.256 -27.866 -22.056 42 HH12 ARG 5 2HH1 ARG 5 1.782 -28.666 -21.878 43 HH21 ARG 5 1HH2 ARG 5 3.684 -25.782 -22.414 44 HH22 ARG 5 2HH2 ARG 5 3.732 -27.480 -22.081 45 H GLN 6 H GLN 6 -1.785 -24.178 -16.531 46 HA GLN 6 HA GLN 6 -0.173 -21.760 -16.214 47 HB2 GLN 6 2HB GLN 6 -2.072 -23.211 -14.375 48 HB3 GLN 6 3HB GLN 6 -1.059 -21.879 -13.834 49 HG2 GLN 6 2HG GLN 6 -2.123 -20.556 -15.757 50 HG3 GLN 6 3HG GLN 6 -3.329 -21.841 -15.783 51 HE21 GLN 6 1HE2 GLN 6 -5.070 -21.426 -14.648 52 HE22 GLN 6 2HE2 GLN 6 -5.161 -20.435 -13.236 53 H LYS 7 H LYS 7 0.976 -24.433 -16.767 54 HA LYS 7 HA LYS 7 2.461 -24.911 -14.278 55 HB2 LYS 7 2HB LYS 7 1.245 -26.748 -15.764 56 HB3 LYS 7 3HB LYS 7 2.757 -26.682 -16.659 57 HG2 LYS 7 2HG LYS 7 2.700 -27.080 -13.688 58 HG3 LYS 7 3HG LYS 7 2.544 -28.428 -14.817 59 HD2 LYS 7 2HD LYS 7 4.802 -28.460 -14.590 60 HD3 LYS 7 3HD LYS 7 4.700 -27.245 -15.867 61 HE2 LYS 7 2HE LYS 7 4.458 -25.635 -13.761 62 HE3 LYS 7 3HE LYS 7 5.357 -26.940 -12.988 63 HZ1 LYS 7 3HZ LYS 7 6.693 -25.076 -14.033 64 HZ2 LYS 7 1HZ LYS 7 6.252 -25.726 -15.532 65 HZ3 LYS 7 2HZ LYS 7 7.148 -26.654 -14.439 66 H GLY 8 H GLY 8 3.952 -23.236 -14.372 67 HA2 GLY 8 2HA GLY 8 6.409 -23.362 -15.105 68 HA3 GLY 8 3HA GLY 8 5.734 -23.197 -16.719 69 H ASN 9 H ASN 9 3.628 -21.355 -15.765 70 HA ASN 9 HA ASN 9 5.244 -18.937 -15.849 71 HB2 ASN 9 2HB ASN 9 2.235 -19.243 -15.963 72 HB3 ASN 9 3HB ASN 9 3.149 -17.780 -16.317 73 HD21 ASN 9 1HD2 ASN 9 1.377 -19.839 -17.827 74 HD22 ASN 9 2HD2 ASN 9 2.242 -20.066 -19.305 75 H LYS 10 H LYS 10 6.074 -19.097 -13.688 76 HA LYS 10 HA LYS 10 4.126 -18.665 -11.541 77 HB2 LYS 10 2HB LYS 10 7.101 -19.103 -11.273 78 HB3 LYS 10 3HB LYS 10 5.889 -19.207 -10.003 79 HG2 LYS 10 2HG LYS 10 4.915 -21.166 -11.088 80 HG3 LYS 10 3HG LYS 10 6.129 -21.062 -12.365 81 HD2 LYS 10 2HD LYS 10 6.923 -22.700 -10.863 82 HD3 LYS 10 3HD LYS 10 7.870 -21.249 -10.527 83 HE2 LYS 10 2HE LYS 10 7.306 -21.931 -8.401 84 HE3 LYS 10 3HE LYS 10 6.010 -20.790 -8.756 85 HZ1 LYS 10 3HZ LYS 10 5.839 -23.743 -9.021 86 HZ2 LYS 10 1HZ LYS 10 4.596 -22.652 -9.377 87 HZ3 LYS 10 2HZ LYS 10 5.145 -22.819 -7.786 88 H VAL 11 H VAL 11 4.765 -16.603 -13.507 89 HA VAL 11 HA VAL 11 6.368 -14.662 -12.053 90 HB VAL 11 HB VAL 11 6.192 -15.026 -14.668 91 HG11 VAL 11 1HG1 VAL 11 4.586 -13.822 -15.797 92 HG12 VAL 11 2HG1 VAL 11 3.665 -14.416 -14.414 93 HG13 VAL 11 3HG1 VAL 11 4.267 -12.758 -14.428 94 HG21 VAL 11 3HG2 VAL 11 6.267 -12.159 -14.138 95 HG22 VAL 11 1HG2 VAL 11 7.247 -13.103 -13.017 96 HG23 VAL 11 2HG2 VAL 11 7.525 -13.230 -14.754 97 H ILE 12 H ILE 12 5.362 -12.323 -12.163 98 HA ILE 12 HA ILE 12 3.039 -12.403 -10.471 99 HB ILE 12 HB ILE 12 4.467 -9.992 -11.596 100 HG12 ILE 12 2HG1 ILE 12 5.964 -11.459 -10.281 101 HG13 ILE 12 3HG1 ILE 12 5.679 -9.916 -9.484 102 HG21 ILE 12 1HG2 ILE 12 3.465 -9.011 -9.414 103 HG22 ILE 12 2HG2 ILE 12 2.436 -9.192 -10.834 104 HG23 ILE 12 3HG2 ILE 12 2.346 -10.369 -9.524 105 HD11 ILE 12 3HD1 ILE 12 4.194 -10.912 -7.921 106 HD12 ILE 12 1HD1 ILE 12 4.185 -12.434 -8.812 107 HD13 ILE 12 2HD1 ILE 12 5.650 -11.905 -7.984 108 H LYS 13 H LYS 13 0.998 -11.628 -10.895 109 HA LYS 13 HA LYS 13 0.411 -11.013 -13.717 110 HB2 LYS 13 2HB LYS 13 -1.695 -12.172 -11.956 111 HB3 LYS 13 3HB LYS 13 -1.463 -12.347 -13.691 112 HG2 LYS 13 2HG LYS 13 0.208 -13.671 -11.563 113 HG3 LYS 13 3HG LYS 13 -1.080 -14.443 -12.491 114 HD2 LYS 13 2HD LYS 13 1.235 -13.122 -13.864 115 HD3 LYS 13 3HD LYS 13 1.363 -14.773 -13.254 116 HE2 LYS 13 2HE LYS 13 -0.996 -14.070 -14.921 117 HE3 LYS 13 3HE LYS 13 0.563 -14.248 -15.724 118 HZ1 LYS 13 3HZ LYS 13 -0.200 -16.379 -15.808 119 HZ2 LYS 13 1HZ LYS 13 -1.064 -16.265 -14.358 120 HZ3 LYS 13 2HZ LYS 13 0.617 -16.444 -14.329 121 HA PRO 14 HA PRO 14 -1.479 -7.254 -12.467 122 HB2 PRO 14 2HB PRO 14 -3.530 -7.057 -14.235 123 HB3 PRO 14 3HB PRO 14 -1.840 -6.823 -14.695 124 HG2 PRO 14 2HG PRO 14 -3.573 -9.242 -15.017 125 HG3 PRO 14 3HG PRO 14 -2.429 -8.524 -16.166 126 HD2 PRO 14 2HD PRO 14 -1.820 -10.696 -14.667 127 HD3 PRO 14 3HD PRO 14 -0.604 -9.495 -15.147 128 H ASP 15 H ASP 15 -3.696 -6.273 -11.951 129 HA ASP 15 HA ASP 15 -4.863 -7.605 -9.827 130 HB2 ASP 15 2HB ASP 15 -6.701 -5.957 -10.007 131 HB3 ASP 15 3HB ASP 15 -5.113 -5.206 -10.138 132 H GLU 16 H GLU 16 -7.298 -8.111 -9.708 133 HA GLU 16 HA GLU 16 -8.291 -9.436 -12.112 134 HB2 GLU 16 2HB GLU 16 -8.853 -11.467 -10.661 135 HB3 GLU 16 3HB GLU 16 -7.178 -11.273 -11.161 136 HG2 GLU 16 2HG GLU 16 -7.711 -9.967 -8.633 137 HG3 GLU 16 3HG GLU 16 -8.101 -11.686 -8.591 138 H THR 17 H THR 17 -10.225 -8.543 -12.373 139 HA THR 17 HA THR 17 -12.352 -7.832 -11.981 140 HB THR 17 HB THR 17 -13.692 -9.093 -10.615 141 HG1 THR 17 HG1 THR 17 -13.079 -8.548 -8.593 142 HG21 THR 17 3HG2 THR 17 -12.115 -10.562 -11.980 143 HG22 THR 17 1HG2 THR 17 -12.962 -11.335 -10.641 144 HG23 THR 17 2HG2 THR 17 -11.269 -10.872 -10.464 145 H ARG 18 H ARG 18 -9.875 -6.571 -10.646 146 HA ARG 18 HA ARG 18 -10.917 -5.284 -8.300 147 HB2 ARG 18 2HB ARG 18 -8.419 -4.948 -9.942 148 HB3 ARG 18 3HB ARG 18 -8.817 -3.826 -8.649 149 HG2 ARG 18 2HG ARG 18 -9.054 -6.006 -7.228 150 HG3 ARG 18 3HG ARG 18 -8.039 -6.695 -8.496 151 HD2 ARG 18 2HD ARG 18 -6.524 -4.654 -8.093 152 HD3 ARG 18 3HD ARG 18 -7.420 -4.468 -6.586 153 HE ARG 18 HE ARG 18 -6.547 -7.115 -6.757 154 HH11 ARG 18 1HH1 ARG 18 -5.221 -3.914 -6.419 155 HH12 ARG 18 2HH1 ARG 18 -3.827 -4.443 -5.538 156 HH21 ARG 18 1HH2 ARG 18 -4.715 -7.824 -5.598 157 HH22 ARG 18 2HH2 ARG 18 -3.539 -6.667 -5.072 158 H VAL 19 H VAL 19 -10.401 -2.706 -8.381 159 HA VAL 19 HA VAL 19 -12.549 -1.522 -9.644 160 HB VAL 19 HB VAL 19 -11.591 0.606 -9.143 161 HG11 VAL 19 1HG1 VAL 19 -10.566 -1.298 -7.044 162 HG12 VAL 19 2HG1 VAL 19 -11.079 0.376 -6.818 163 HG13 VAL 19 3HG1 VAL 19 -12.264 -0.862 -7.237 164 HG21 VAL 19 3HG2 VAL 19 -8.951 -0.839 -8.941 165 HG22 VAL 19 1HG2 VAL 19 -9.419 0.355 -10.152 166 HG23 VAL 19 2HG2 VAL 19 -9.214 0.840 -8.469 167 H LYS 20 H LYS 20 -12.635 0.021 -11.407 168 HA LYS 20 HA LYS 20 -10.553 -0.260 -13.442 169 HB2 LYS 20 2HB LYS 20 -13.462 -0.595 -14.156 170 HB3 LYS 20 3HB LYS 20 -12.056 -0.889 -15.171 171 HG2 LYS 20 2HG LYS 20 -12.506 -3.032 -14.642 172 HG3 LYS 20 3HG LYS 20 -11.542 -2.638 -13.217 173 HD2 LYS 20 2HD LYS 20 -13.477 -3.697 -12.391 174 HD3 LYS 20 3HD LYS 20 -13.732 -1.974 -12.108 175 HE2 LYS 20 2HE LYS 20 -15.761 -2.591 -13.000 176 HE3 LYS 20 3HE LYS 20 -14.898 -2.057 -14.442 177 HZ1 LYS 20 3HZ LYS 20 -14.238 -4.513 -14.639 178 HZ2 LYS 20 1HZ LYS 20 -15.813 -4.070 -15.072 179 HZ3 LYS 20 2HZ LYS 20 -15.522 -4.806 -13.577 180 H GLN 21 H GLN 21 -9.936 1.824 -13.524 181 HA GLN 21 HA GLN 21 -11.692 4.027 -13.210 182 HB2 GLN 21 2HB GLN 21 -8.869 3.602 -13.557 183 HB3 GLN 21 3HB GLN 21 -9.408 4.894 -14.621 184 HG2 GLN 21 2HG GLN 21 -8.711 5.881 -12.581 185 HG3 GLN 21 3HG GLN 21 -10.470 5.979 -12.646 186 HE21 GLN 21 1HE2 GLN 21 -11.689 4.839 -11.190 187 HE22 GLN 21 2HE2 GLN 21 -11.014 4.028 -9.822 188 H PHE 22 H PHE 22 -11.920 5.762 -14.892 189 HA PHE 22 HA PHE 22 -13.312 4.795 -17.111 190 HB2 PHE 22 2HB PHE 22 -13.791 6.996 -16.296 191 HB3 PHE 22 3HB PHE 22 -12.127 7.515 -16.545 192 HD1 PHE 22 HD1 PHE 22 -14.649 5.799 -18.698 193 HD2 PHE 22 HD2 PHE 22 -11.999 9.092 -18.199 194 HE1 PHE 22 HE1 PHE 22 -15.244 6.613 -20.942 195 HE2 PHE 22 HE2 PHE 22 -12.590 9.912 -20.442 196 HZ PHE 22 HZ PHE 22 -14.215 8.673 -21.817 197 H LEU 23 H LEU 23 -10.009 6.049 -16.847 198 HA LEU 23 HA LEU 23 -9.489 5.584 -19.655 199 HB2 LEU 23 2HB LEU 23 -7.598 6.377 -17.446 200 HB3 LEU 23 3HB LEU 23 -7.256 6.419 -19.174 201 HG LEU 23 HG LEU 23 -7.667 8.639 -18.681 202 HD11 LEU 23 1HD1 LEU 23 -10.387 7.568 -19.415 203 HD12 LEU 23 2HD1 LEU 23 -9.066 7.863 -20.544 204 HD13 LEU 23 3HD1 LEU 23 -9.800 9.211 -19.676 205 HD21 LEU 23 3HD2 LEU 23 -10.184 8.551 -17.274 206 HD22 LEU 23 1HD2 LEU 23 -8.666 9.325 -16.818 207 HD23 LEU 23 2HD2 LEU 23 -8.945 7.629 -16.420 208 H GLU 24 H GLU 24 -9.407 3.766 -16.811 209 HA GLU 24 HA GLU 24 -7.243 2.018 -17.597 210 HB2 GLU 24 2HB GLU 24 -8.988 2.346 -15.251 211 HB3 GLU 24 3HB GLU 24 -8.560 0.680 -15.614 212 HG2 GLU 24 2HG GLU 24 -6.218 1.198 -15.481 213 HG3 GLU 24 3HG GLU 24 -6.572 2.913 -15.278 214 H GLY 25 H GLY 25 -10.226 2.424 -18.794 215 HA2 GLY 25 2HA GLY 25 -10.787 -0.445 -19.127 216 HA3 GLY 25 3HA GLY 25 -11.927 0.859 -19.423 217 H PHE 26 H PHE 26 -9.077 1.871 -20.688 218 HA PHE 26 HA PHE 26 -9.680 0.706 -23.327 219 HB2 PHE 26 2HB PHE 26 -8.596 3.485 -22.848 220 HB3 PHE 26 3HB PHE 26 -9.156 2.803 -24.372 221 HD1 PHE 26 HD2 PHE 26 -11.657 1.993 -24.364 222 HD2 PHE 26 HD1 PHE 26 -10.016 4.834 -21.652 223 HE1 PHE 26 HE2 PHE 26 -13.912 2.876 -23.930 224 HE2 PHE 26 HE1 PHE 26 -12.269 5.721 -21.213 225 HZ PHE 26 HZ PHE 26 -14.220 4.743 -22.354 226 H ASN 27 H ASN 27 -7.889 0.482 -24.784 227 HA ASN 27 HA ASN 27 -5.585 -0.591 -23.576 228 HB2 ASN 27 2HB ASN 27 -6.544 -0.119 -26.321 229 HB3 ASN 27 3HB ASN 27 -4.792 -0.138 -26.150 230 HD21 ASN 27 1HD2 ASN 27 -4.213 -2.045 -26.947 231 HD22 ASN 27 2HD2 ASN 27 -4.827 -3.574 -26.426 232 H ILE 28 H ILE 28 -3.363 0.113 -23.845 233 HA ILE 28 HA ILE 28 -3.041 2.869 -23.147 234 HB ILE 28 HB ILE 28 -1.622 1.133 -22.153 235 HG12 ILE 28 2HG1 ILE 28 0.562 2.280 -22.469 236 HG13 ILE 28 3HG1 ILE 28 -0.123 3.154 -23.835 237 HG21 ILE 28 1HG2 ILE 28 0.143 0.833 -24.459 238 HG22 ILE 28 2HG2 ILE 28 -0.451 -0.374 -23.320 239 HG23 ILE 28 3HG2 ILE 28 -1.451 0.116 -24.687 240 HD11 ILE 28 3HD1 ILE 28 -1.305 3.301 -21.083 241 HD12 ILE 28 1HD1 ILE 28 -0.015 4.375 -21.625 242 HD13 ILE 28 2HD1 ILE 28 -1.572 4.378 -22.455 243 H GLU 29 H GLU 29 -2.777 1.015 -26.064 244 HA GLU 29 HA GLU 29 -1.156 2.870 -27.506 245 HB2 GLU 29 2HB GLU 29 -1.696 1.556 -29.460 246 HB3 GLU 29 3HB GLU 29 -1.357 0.476 -28.115 247 HG2 GLU 29 2HG GLU 29 -3.638 -0.047 -27.830 248 HG3 GLU 29 3HG GLU 29 -4.147 1.269 -28.886 249 H THR 30 H THR 30 -4.541 2.587 -26.819 250 HA THR 30 HA THR 30 -5.530 4.189 -28.937 251 HB THR 30 HB THR 30 -7.596 4.287 -27.744 252 HG1 THR 30 HG1 THR 30 -6.567 3.128 -25.415 253 HG21 THR 30 3HG2 THR 30 -6.217 1.662 -27.176 254 HG22 THR 30 1HG2 THR 30 -7.084 2.093 -28.649 255 HG23 THR 30 2HG2 THR 30 -7.960 1.922 -27.128 256 H PHE 31 H PHE 31 -3.850 4.937 -26.049 257 HA PHE 31 HA PHE 31 -4.793 7.688 -25.966 258 HB2 PHE 31 2HB PHE 31 -2.705 6.298 -24.274 259 HB3 PHE 31 3HB PHE 31 -3.368 7.903 -23.983 260 HD1 PHE 31 HD1 PHE 31 -6.253 7.193 -24.693 261 HD2 PHE 31 HD2 PHE 31 -3.345 5.306 -22.222 262 HE1 PHE 31 HE1 PHE 31 -8.052 6.203 -23.337 263 HE2 PHE 31 HE2 PHE 31 -5.140 4.313 -20.863 264 HZ PHE 31 HZ PHE 31 -7.497 4.761 -21.420 265 H GLU 32 H GLU 32 -3.382 9.499 -26.155 266 HA GLU 32 HA GLU 32 -0.768 9.040 -27.362 267 HB2 GLU 32 2HB GLU 32 -2.918 10.681 -28.713 268 HB3 GLU 32 3HB GLU 32 -1.247 10.554 -29.243 269 HG2 GLU 32 2HG GLU 32 -1.631 8.076 -29.477 270 HG3 GLU 32 3HG GLU 32 -3.345 8.406 -29.227 271 H MET 33 H MET 33 0.690 10.472 -26.663 272 HA MET 33 HA MET 33 0.150 12.304 -24.645 273 HB2 MET 33 2HB MET 33 2.385 11.383 -25.094 274 HB3 MET 33 3HB MET 33 2.471 12.314 -26.584 275 HG2 MET 33 2HG MET 33 2.063 14.343 -24.991 276 HG3 MET 33 3HG MET 33 2.660 13.233 -23.760 277 HE1 MET 33 3HE MET 33 5.901 14.732 -23.730 278 HE2 MET 33 1HE MET 33 4.783 15.960 -24.326 279 HE3 MET 33 2HE MET 33 4.242 14.781 -23.131 280 H VAL 34 H VAL 34 -0.565 14.342 -24.595 281 HA VAL 34 HA VAL 34 -0.892 15.746 -27.165 282 HB VAL 34 HB VAL 34 -3.028 15.218 -26.118 283 HG11 VAL 34 1HG1 VAL 34 -2.475 15.025 -23.822 284 HG12 VAL 34 2HG1 VAL 34 -1.877 16.684 -23.755 285 HG13 VAL 34 3HG1 VAL 34 -3.603 16.374 -23.951 286 HG21 VAL 34 3HG2 VAL 34 -2.812 18.130 -25.599 287 HG22 VAL 34 1HG2 VAL 34 -2.373 17.553 -27.207 288 HG23 VAL 34 2HG2 VAL 34 -3.984 17.235 -26.566 289 H GLY 35 H GLY 35 0.463 15.887 -23.994 290 HA2 GLY 35 2HA GLY 35 2.171 18.019 -24.558 291 HA3 GLY 35 3HA GLY 35 0.765 18.687 -23.743 292 H THR 36 H THR 36 2.836 19.189 -22.356 293 HA THR 36 HA THR 36 2.737 17.309 -20.124 294 HB THR 36 HB THR 36 5.334 17.813 -19.928 295 HG1 THR 36 HG1 THR 36 5.707 18.965 -21.756 296 HG21 THR 36 3HG2 THR 36 5.549 15.698 -21.574 297 HG22 THR 36 1HG2 THR 36 3.810 15.673 -21.288 298 HG23 THR 36 2HG2 THR 36 4.928 15.580 -19.928 299 H LEU 37 H LEU 37 3.224 18.231 -18.107 300 HA LEU 37 HA LEU 37 3.396 21.173 -18.113 301 HB2 LEU 37 2HB LEU 37 1.194 20.227 -17.408 302 HB3 LEU 37 3HB LEU 37 2.020 19.455 -16.056 303 HG LEU 37 HG LEU 37 0.762 21.615 -15.580 304 HD11 LEU 37 1HD1 LEU 37 3.379 22.291 -14.624 305 HD12 LEU 37 2HD1 LEU 37 3.137 20.546 -14.546 306 HD13 LEU 37 3HD1 LEU 37 2.001 21.630 -13.743 307 HD21 LEU 37 3HD2 LEU 37 1.440 23.600 -16.413 308 HD22 LEU 37 1HD2 LEU 37 2.050 22.595 -17.728 309 HD23 LEU 37 2HD2 LEU 37 3.140 23.129 -16.448 310 H SER 38 H SER 38 4.799 22.148 -16.714 311 HA SER 38 HA SER 38 6.272 20.482 -14.812 312 HB2 SER 38 2HB SER 38 8.350 20.825 -15.718 313 HB3 SER 38 3HB SER 38 7.403 20.874 -17.204 314 HG SER 38 HG SER 38 7.452 23.108 -17.133 315 H ASN 39 H ASN 39 6.402 21.459 -12.907 316 HA ASN 39 HA ASN 39 6.893 24.279 -12.664 317 HB2 ASN 39 2HB ASN 39 4.856 24.795 -11.383 318 HB3 ASN 39 3HB ASN 39 4.472 24.315 -13.033 319 HD21 ASN 39 1HD2 ASN 39 2.496 24.234 -11.252 320 HD22 ASN 39 2HD2 ASN 39 2.106 22.607 -10.824 321 H ALA 40 H ALA 40 6.367 24.789 -10.108 322 HA ALA 40 HA ALA 40 8.372 23.546 -8.671 323 HB1 ALA 40 1HB ALA 40 5.936 25.066 -7.802 324 HB2 ALA 40 2HB ALA 40 7.085 24.417 -6.631 325 HB3 ALA 40 3HB ALA 40 7.620 25.591 -7.833 326 H GLN 41 H GLN 41 5.030 22.595 -9.083 327 HA GLN 41 HA GLN 41 4.910 20.711 -6.978 328 HB2 GLN 41 2HB GLN 41 3.300 21.307 -9.405 329 HB3 GLN 41 3HB GLN 41 3.091 19.724 -8.670 330 HG2 GLN 41 2HG GLN 41 2.769 22.357 -7.248 331 HG3 GLN 41 3HG GLN 41 1.454 21.361 -7.870 332 HE21 GLN 41 1HE2 GLN 41 0.835 19.549 -6.768 333 HE22 GLN 41 2HE2 GLN 41 1.432 19.141 -5.199 334 H GLY 42 H GLY 42 6.025 20.537 -10.299 335 HA2 GLY 42 2HA GLY 42 7.873 18.681 -10.270 336 HA3 GLY 42 3HA GLY 42 6.468 17.650 -10.049 337 H THR 43 H THR 43 7.095 16.610 -12.033 338 HA THR 43 HA THR 43 6.414 18.187 -14.430 339 HB THR 43 HB THR 43 7.986 15.633 -14.557 340 HG1 THR 43 HG1 THR 43 9.884 16.979 -14.467 341 HG21 THR 43 3HG2 THR 43 8.495 17.958 -16.317 342 HG22 THR 43 1HG2 THR 43 6.942 17.146 -16.513 343 HG23 THR 43 2HG2 THR 43 8.442 16.237 -16.700 344 H PHE 44 H PHE 44 4.292 17.781 -14.746 345 HA PHE 44 HA PHE 44 3.310 15.036 -14.535 346 HB2 PHE 44 2HB PHE 44 1.733 17.554 -15.093 347 HB3 PHE 44 3HB PHE 44 1.090 15.981 -14.634 348 HD1 PHE 44 HD2 PHE 44 3.026 18.884 -13.443 349 HD2 PHE 44 HD1 PHE 44 0.961 15.320 -12.371 350 HE1 PHE 44 HE2 PHE 44 3.139 19.535 -11.073 351 HE2 PHE 44 HE1 PHE 44 1.070 15.966 -9.999 352 HZ PHE 44 HZ PHE 44 2.161 18.076 -9.348 353 H ALA 45 H ALA 45 2.001 14.119 -16.241 354 HA ALA 45 HA ALA 45 2.825 15.068 -18.907 355 HB1 ALA 45 1HB ALA 45 2.182 12.526 -19.411 356 HB2 ALA 45 2HB ALA 45 3.796 13.021 -18.900 357 HB3 ALA 45 3HB ALA 45 2.660 12.363 -17.721 358 H LEU 46 H LEU 46 1.286 15.611 -20.321 359 HA LEU 46 HA LEU 46 -1.508 15.101 -19.570 360 HB2 LEU 46 2HB LEU 46 -0.584 17.060 -21.646 361 HB3 LEU 46 3HB LEU 46 -2.119 17.018 -20.782 362 HG LEU 46 HG LEU 46 0.566 17.830 -19.676 363 HD11 LEU 46 1HD1 LEU 46 -0.026 19.915 -20.147 364 HD12 LEU 46 2HD1 LEU 46 -1.593 19.702 -19.368 365 HD13 LEU 46 3HD1 LEU 46 -1.387 19.270 -21.065 366 HD21 LEU 46 3HD2 LEU 46 -0.592 18.271 -17.587 367 HD22 LEU 46 1HD2 LEU 46 -0.728 16.567 -18.018 368 HD23 LEU 46 2HD2 LEU 46 -2.097 17.651 -18.268 369 H VAL 47 H VAL 47 -2.377 13.407 -20.559 370 HA VAL 47 HA VAL 47 -1.601 12.847 -23.346 371 HB VAL 47 HB VAL 47 -1.130 11.062 -21.628 372 HG11 VAL 47 1HG1 VAL 47 -2.994 9.716 -20.831 373 HG12 VAL 47 2HG1 VAL 47 -3.153 11.385 -20.280 374 HG13 VAL 47 3HG1 VAL 47 -4.135 10.801 -21.624 375 HG21 VAL 47 3HG2 VAL 47 -1.428 10.683 -24.099 376 HG22 VAL 47 1HG2 VAL 47 -1.737 9.280 -23.076 377 HG23 VAL 47 2HG2 VAL 47 -3.086 10.196 -23.747 378 H LYS 48 H LYS 48 -3.277 12.024 -24.769 379 HA LYS 48 HA LYS 48 -5.981 12.918 -24.017 380 HB2 LYS 48 2HB LYS 48 -4.851 14.508 -25.574 381 HB3 LYS 48 3HB LYS 48 -4.722 13.207 -26.750 382 HG2 LYS 48 2HG LYS 48 -7.038 13.129 -27.088 383 HG3 LYS 48 3HG LYS 48 -7.368 14.060 -25.624 384 HD2 LYS 48 2HD LYS 48 -6.322 16.028 -26.654 385 HD3 LYS 48 3HD LYS 48 -6.019 15.093 -28.120 386 HE2 LYS 48 2HE LYS 48 -8.390 14.808 -28.475 387 HE3 LYS 48 3HE LYS 48 -8.749 15.604 -26.944 388 HZ1 LYS 48 3HZ LYS 48 -8.641 16.825 -29.354 389 HZ2 LYS 48 1HZ LYS 48 -7.121 17.188 -28.706 390 HZ3 LYS 48 2HZ LYS 48 -8.524 17.609 -27.860 391 H GLY 49 H GLY 49 -7.677 11.638 -24.645 392 HA2 GLY 49 2HA GLY 49 -7.803 9.758 -26.640 393 HA3 GLY 49 3HA GLY 49 -7.063 8.914 -25.288 394 H ALA 50 H ALA 50 -9.258 7.767 -25.968 395 HA ALA 50 HA ALA 50 -11.394 7.189 -25.409 396 HB1 ALA 50 1HB ALA 50 -11.927 7.389 -22.999 397 HB2 ALA 50 2HB ALA 50 -10.334 6.694 -23.305 398 HB3 ALA 50 3HB ALA 50 -10.480 8.376 -22.793 399 H GLY 51 H GLY 51 -11.007 9.853 -26.590 400 HA2 GLY 51 2HA GLY 51 -12.376 11.605 -27.177 401 HA3 GLY 51 3HA GLY 51 -13.653 10.831 -26.250 402 H GLY 52 H GLY 52 -10.520 11.873 -25.003 403 HA2 GLY 52 2HA GLY 52 -11.400 14.351 -23.951 404 HA3 GLY 52 3HA GLY 52 -11.554 13.100 -22.726 405 H VAL 53 H VAL 53 -9.972 14.802 -21.796 406 HA VAL 53 HA VAL 53 -7.223 14.065 -22.562 407 HB VAL 53 HB VAL 53 -6.603 16.200 -21.297 408 HG11 VAL 53 1HG1 VAL 53 -6.881 17.561 -23.249 409 HG12 VAL 53 2HG1 VAL 53 -6.575 15.904 -23.772 410 HG13 VAL 53 3HG1 VAL 53 -8.213 16.557 -23.819 411 HG21 VAL 53 3HG2 VAL 53 -9.513 16.830 -21.781 412 HG22 VAL 53 1HG2 VAL 53 -8.814 16.459 -20.205 413 HG23 VAL 53 2HG2 VAL 53 -8.298 17.900 -21.081 414 H HIS 54 H HIS 54 -5.820 13.332 -21.029 415 HA HIS 54 HA HIS 54 -6.857 13.059 -18.285 416 HB2 HIS 54 2HB HIS 54 -4.978 10.994 -19.287 417 HB3 HIS 54 3HB HIS 54 -6.345 10.836 -18.187 418 HD1 HIS 54 HD1 HIS 54 -5.451 9.412 -21.132 419 HD2 HIS 54 HD2 HIS 54 -8.804 11.634 -20.092 420 HE1 HIS 54 HE1 HIS 54 -7.221 8.782 -22.804 421 H ARG 55 H ARG 55 -5.292 13.041 -16.603 422 HA ARG 55 HA ARG 55 -2.643 14.064 -17.380 423 HB2 ARG 55 2HB ARG 55 -2.685 15.618 -15.521 424 HB3 ARG 55 3HB ARG 55 -4.082 15.897 -16.552 425 HG2 ARG 55 2HG ARG 55 -5.391 14.454 -14.933 426 HG3 ARG 55 3HG ARG 55 -3.997 14.579 -13.857 427 HD2 ARG 55 2HD ARG 55 -4.776 16.526 -13.129 428 HD3 ARG 55 3HD ARG 55 -4.562 17.187 -14.749 429 HE ARG 55 HE ARG 55 -6.958 15.859 -14.828 430 HH11 ARG 55 1HH1 ARG 55 -5.594 18.433 -12.923 431 HH12 ARG 55 2HH1 ARG 55 -7.117 19.211 -12.645 432 HH21 ARG 55 1HH2 ARG 55 -8.970 16.873 -14.469 433 HH22 ARG 55 2HH2 ARG 55 -9.037 18.322 -13.523 434 H VAL 56 H VAL 56 -0.992 12.969 -16.543 435 HA VAL 56 HA VAL 56 -1.311 11.572 -13.995 436 HB VAL 56 HB VAL 56 -0.272 9.518 -14.899 437 HG11 VAL 56 1HG1 VAL 56 -2.734 10.026 -16.520 438 HG12 VAL 56 2HG1 VAL 56 -2.261 8.581 -15.624 439 HG13 VAL 56 3HG1 VAL 56 -2.817 10.014 -14.758 440 HG21 VAL 56 3HG2 VAL 56 0.330 11.096 -17.086 441 HG22 VAL 56 1HG2 VAL 56 0.519 9.346 -16.978 442 HG23 VAL 56 2HG2 VAL 56 -0.947 10.033 -17.678 443 H ARG 57 H ARG 57 0.609 11.232 -12.873 444 HA ARG 57 HA ARG 57 2.946 12.640 -13.982 445 HB2 ARG 57 2HB ARG 57 3.559 13.282 -11.784 446 HB3 ARG 57 3HB ARG 57 1.832 13.589 -11.914 447 HG2 ARG 57 2HG ARG 57 1.388 11.475 -10.741 448 HG3 ARG 57 3HG ARG 57 3.127 11.227 -10.569 449 HD2 ARG 57 2HD ARG 57 3.075 13.591 -9.478 450 HD3 ARG 57 3HD ARG 57 1.358 13.253 -9.264 451 HE ARG 57 HE ARG 57 3.527 12.128 -7.787 452 HH11 ARG 57 1HH1 ARG 57 0.315 11.508 -8.978 453 HH12 ARG 57 2HH1 ARG 57 -0.060 10.349 -7.745 454 HH21 ARG 57 1HH2 ARG 57 3.046 10.604 -6.159 455 HH22 ARG 57 2HH2 ARG 57 1.494 9.836 -6.142 456 H VAL 58 H VAL 58 5.022 11.866 -12.684 457 HA VAL 58 HA VAL 58 5.657 9.317 -13.590 458 HB VAL 58 HB VAL 58 7.403 10.901 -13.086 459 HG11 VAL 58 1HG1 VAL 58 7.359 12.169 -11.266 460 HG12 VAL 58 2HG1 VAL 58 5.953 11.276 -10.683 461 HG13 VAL 58 3HG1 VAL 58 7.579 10.745 -10.251 462 HG21 VAL 58 3HG2 VAL 58 8.933 9.370 -12.413 463 HG22 VAL 58 1HG2 VAL 58 7.987 8.882 -11.007 464 HG23 VAL 58 2HG2 VAL 58 7.568 8.271 -12.607 465 H GLY 59 H GLY 59 5.020 7.379 -12.929 466 HA2 GLY 59 2HA GLY 59 5.003 5.710 -11.181 467 HA3 GLY 59 3HA GLY 59 4.529 6.970 -10.051 468 H ASP 60 H ASP 60 2.584 8.060 -12.035 469 HA ASP 60 HA ASP 60 0.284 6.774 -11.120 470 HB2 ASP 60 2HB ASP 60 0.833 8.662 -13.386 471 HB3 ASP 60 3HB ASP 60 -0.769 7.954 -13.197 472 H TYR 61 H TYR 61 -1.424 5.894 -12.737 473 HA TYR 61 HA TYR 61 -0.158 4.021 -14.615 474 HB2 TYR 61 2HB TYR 61 -2.386 3.270 -12.715 475 HB3 TYR 61 3HB TYR 61 -1.549 2.204 -13.838 476 HD1 TYR 61 HD1 TYR 61 -1.265 4.057 -10.674 477 HD2 TYR 61 HD2 TYR 61 0.619 1.302 -13.313 478 HE1 TYR 61 HE1 TYR 61 0.363 3.497 -8.918 479 HE2 TYR 61 HE2 TYR 61 2.251 0.733 -11.564 480 HH TYR 61 HH TYR 61 2.360 0.812 -9.051 481 H LEU 62 H LEU 62 -1.327 3.533 -16.445 482 HA LEU 62 HA LEU 62 -4.061 4.403 -16.745 483 HB2 LEU 62 2HB LEU 62 -3.297 5.711 -18.878 484 HB3 LEU 62 3HB LEU 62 -3.321 6.490 -17.298 485 HG LEU 62 HG LEU 62 -0.862 6.006 -17.129 486 HD11 LEU 62 1HD1 LEU 62 -0.197 5.828 -19.834 487 HD12 LEU 62 2HD1 LEU 62 -1.438 4.602 -19.574 488 HD13 LEU 62 3HD1 LEU 62 0.026 4.595 -18.592 489 HD21 LEU 62 3HD2 LEU 62 -0.243 7.919 -18.356 490 HD22 LEU 62 1HD2 LEU 62 -1.922 8.185 -17.885 491 HD23 LEU 62 2HD2 LEU 62 -1.537 7.683 -19.532 492 H GLY 63 H GLY 63 -5.067 3.577 -18.622 493 HA2 GLY 63 2HA GLY 63 -5.178 2.319 -20.601 494 HA3 GLY 63 3HA GLY 63 -3.472 1.934 -20.427 495 H ARG 64 H ARG 64 -5.358 0.014 -21.119 496 HA ARG 64 HA ARG 64 -6.231 -1.463 -18.837 497 HB2 ARG 64 2HB ARG 64 -6.196 -1.883 -21.782 498 HB3 ARG 64 3HB ARG 64 -6.335 -3.310 -20.763 499 HG2 ARG 64 2HG ARG 64 -8.279 -2.197 -19.636 500 HG3 ARG 64 3HG ARG 64 -8.194 -0.952 -20.883 501 HD2 ARG 64 2HD ARG 64 -9.857 -2.707 -21.386 502 HD3 ARG 64 3HD ARG 64 -8.591 -2.588 -22.608 503 HE ARG 64 HE ARG 64 -8.035 -4.549 -20.590 504 HH11 ARG 64 1HH1 ARG 64 -9.701 -3.942 -23.587 505 HH12 ARG 64 2HH1 ARG 64 -9.709 -5.606 -24.070 506 HH21 ARG 64 1HH2 ARG 64 -8.039 -6.742 -21.216 507 HH22 ARG 64 2HH2 ARG 64 -8.764 -7.198 -22.720 508 H ASN 65 H ASN 65 -3.248 -1.136 -20.432 509 HA ASN 65 HA ASN 65 -2.257 -3.731 -19.534 510 HB2 ASN 65 2HB ASN 65 -0.853 -1.547 -21.090 511 HB3 ASN 65 3HB ASN 65 -0.216 -3.157 -20.769 512 HD21 ASN 65 1HD2 ASN 65 -2.444 -4.701 -21.209 513 HD22 ASN 65 2HD2 ASN 65 -2.885 -4.610 -22.877 514 H ASP 66 H ASP 66 -2.972 -1.341 -17.786 515 HA ASP 66 HA ASP 66 -2.175 -0.254 -15.946 516 HB2 ASP 66 2HB ASP 66 -0.239 -2.568 -15.773 517 HB3 ASP 66 3HB ASP 66 -0.841 -1.575 -14.449 518 H GLY 67 H GLY 67 -1.157 0.865 -18.189 519 HA2 GLY 67 2HA GLY 67 1.634 0.974 -18.418 520 HA3 GLY 67 3HA GLY 67 0.525 2.235 -18.937 521 H LYS 68 H LYS 68 2.863 1.297 -16.645 522 HA LYS 68 HA LYS 68 2.173 3.404 -14.759 523 HB2 LYS 68 2HB LYS 68 2.938 1.256 -13.874 524 HB3 LYS 68 3HB LYS 68 4.447 1.411 -14.764 525 HG2 LYS 68 2HG LYS 68 4.768 3.584 -13.428 526 HG3 LYS 68 3HG LYS 68 3.509 2.941 -12.370 527 HD2 LYS 68 2HD LYS 68 5.595 2.290 -11.435 528 HD3 LYS 68 3HD LYS 68 4.895 0.848 -12.174 529 HE2 LYS 68 2HE LYS 68 6.314 1.122 -14.119 530 HE3 LYS 68 3HE LYS 68 6.959 2.628 -13.468 531 HZ1 LYS 68 3HZ LYS 68 8.259 0.415 -13.177 532 HZ2 LYS 68 1HZ LYS 68 7.197 0.167 -11.884 533 HZ3 LYS 68 2HZ LYS 68 8.198 1.530 -11.906 534 H VAL 69 H VAL 69 2.927 5.402 -14.934 535 HA VAL 69 HA VAL 69 4.715 6.204 -16.965 536 HB VAL 69 HB VAL 69 3.896 7.721 -14.483 537 HG11 VAL 69 1HG1 VAL 69 5.087 8.677 -17.084 538 HG12 VAL 69 2HG1 VAL 69 4.477 9.720 -15.798 539 HG13 VAL 69 3HG1 VAL 69 5.872 8.682 -15.505 540 HG21 VAL 69 3HG2 VAL 69 2.171 8.718 -15.848 541 HG22 VAL 69 1HG2 VAL 69 2.714 7.806 -17.256 542 HG23 VAL 69 2HG2 VAL 69 2.000 6.964 -15.881 543 H VAL 70 H VAL 70 6.862 6.229 -17.033 544 HA VAL 70 HA VAL 70 8.348 6.006 -14.496 545 HB VAL 70 HB VAL 70 10.019 4.670 -15.580 546 HG11 VAL 70 1HG1 VAL 70 7.300 3.861 -15.325 547 HG12 VAL 70 2HG1 VAL 70 8.014 3.023 -16.704 548 HG13 VAL 70 3HG1 VAL 70 8.764 2.901 -15.112 549 HG21 VAL 70 3HG2 VAL 70 8.421 5.055 -18.110 550 HG22 VAL 70 1HG2 VAL 70 10.020 5.714 -17.765 551 HG23 VAL 70 2HG2 VAL 70 9.802 3.972 -17.936 552 H GLY 71 H GLY 71 8.114 7.490 -17.647 553 HA2 GLY 71 2HA GLY 71 10.104 9.474 -16.789 554 HA3 GLY 71 3HA GLY 71 10.309 8.693 -18.350 555 H ILE 72 H ILE 72 9.741 11.536 -17.476 556 HA ILE 72 HA ILE 72 7.536 11.980 -19.364 557 HB ILE 72 HB ILE 72 7.855 13.391 -16.713 558 HG12 ILE 72 2HG1 ILE 72 5.485 11.795 -17.671 559 HG13 ILE 72 3HG1 ILE 72 6.819 11.042 -16.803 560 HG21 ILE 72 1HG2 ILE 72 6.305 14.026 -19.156 561 HG22 ILE 72 2HG2 ILE 72 5.508 14.274 -17.604 562 HG23 ILE 72 3HG2 ILE 72 7.025 15.100 -17.958 563 HD11 ILE 72 3HD1 ILE 72 6.331 12.975 -15.083 564 HD12 ILE 72 1HD1 ILE 72 4.736 12.914 -15.833 565 HD13 ILE 72 2HD1 ILE 72 5.410 11.471 -15.075 566 H SER 73 H SER 73 8.535 12.920 -21.030 567 HA SER 73 HA SER 73 10.605 14.931 -20.507 568 HB2 SER 73 2HB SER 73 11.031 12.987 -22.090 569 HB3 SER 73 3HB SER 73 9.873 13.741 -23.186 570 HG SER 73 HG SER 73 12.304 14.850 -22.232 571 H GLU 74 H GLU 74 10.483 16.388 -22.839 572 HA GLU 74 HA GLU 74 8.077 17.972 -22.361 573 HB2 GLU 74 2HB GLU 74 9.208 19.771 -23.478 574 HB3 GLU 74 3HB GLU 74 10.330 19.046 -22.335 575 HG2 GLU 74 2HG GLU 74 11.303 17.747 -24.226 576 HG3 GLU 74 3HG GLU 74 10.278 18.676 -25.318 577 H GLY 75 H GLY 75 9.354 15.761 -24.624 578 HA2 GLY 75 2HA GLY 75 7.121 16.369 -26.445 579 HA3 GLY 75 3HA GLY 75 8.741 16.159 -27.092 580 H LYS 76 H LYS 76 8.104 14.197 -24.402 581 HA LYS 76 HA LYS 76 6.837 12.021 -25.741 582 HB2 LYS 76 2HB LYS 76 8.740 10.472 -25.744 583 HB3 LYS 76 3HB LYS 76 9.029 11.844 -26.806 584 HG2 LYS 76 2HG LYS 76 10.034 11.923 -23.999 585 HG3 LYS 76 3HG LYS 76 10.905 10.990 -25.218 586 HD2 LYS 76 2HD LYS 76 10.768 13.144 -26.636 587 HD3 LYS 76 3HD LYS 76 10.395 13.943 -25.107 588 HE2 LYS 76 2HE LYS 76 12.479 13.063 -24.155 589 HE3 LYS 76 3HE LYS 76 12.851 12.291 -25.695 590 HZ1 LYS 76 3HZ LYS 76 13.930 14.517 -25.236 591 HZ2 LYS 76 1HZ LYS 76 12.404 15.206 -25.476 592 HZ3 LYS 76 2HZ LYS 76 13.152 14.351 -26.729 593 H ILE 77 H ILE 77 6.326 10.313 -24.342 594 HA ILE 77 HA ILE 77 7.084 10.715 -21.525 595 HB ILE 77 HB ILE 77 4.361 9.776 -22.416 596 HG12 ILE 77 2HG1 ILE 77 4.721 12.100 -23.145 597 HG13 ILE 77 3HG1 ILE 77 3.534 12.011 -21.848 598 HG21 ILE 77 1HG2 ILE 77 5.160 9.095 -20.167 599 HG22 ILE 77 2HG2 ILE 77 5.307 10.800 -19.744 600 HG23 ILE 77 3HG2 ILE 77 3.725 10.119 -20.124 601 HD11 ILE 77 3HD1 ILE 77 4.713 13.424 -20.632 602 HD12 ILE 77 1HD1 ILE 77 6.132 12.381 -20.726 603 HD13 ILE 77 2HD1 ILE 77 5.844 13.593 -21.975 604 H ASP 78 H ASP 78 8.159 9.019 -20.788 605 HA ASP 78 HA ASP 78 7.911 6.440 -22.111 606 HB2 ASP 78 2HB ASP 78 9.868 7.703 -20.257 607 HB3 ASP 78 3HB ASP 78 9.730 5.948 -20.217 608 H VAL 79 H VAL 79 6.772 4.780 -21.349 609 HA VAL 79 HA VAL 79 6.124 4.646 -18.500 610 HB VAL 79 HB VAL 79 3.780 4.278 -18.856 611 HG11 VAL 79 1HG1 VAL 79 3.131 6.453 -19.230 612 HG12 VAL 79 2HG1 VAL 79 4.852 6.666 -18.902 613 HG13 VAL 79 3HG1 VAL 79 4.262 6.675 -20.565 614 HG21 VAL 79 3HG2 VAL 79 3.240 3.279 -20.790 615 HG22 VAL 79 1HG2 VAL 79 3.139 4.919 -21.432 616 HG23 VAL 79 2HG2 VAL 79 4.615 3.977 -21.645 617 H ILE 80 H ILE 80 5.447 2.548 -17.794 618 HA ILE 80 HA ILE 80 6.439 0.413 -19.550 619 HB ILE 80 HB ILE 80 6.286 0.712 -16.579 620 HG12 ILE 80 2HG1 ILE 80 8.341 1.252 -17.939 621 HG13 ILE 80 3HG1 ILE 80 8.588 0.065 -16.663 622 HG21 ILE 80 1HG2 ILE 80 6.262 -1.879 -18.100 623 HG22 ILE 80 2HG2 ILE 80 6.872 -1.753 -16.451 624 HG23 ILE 80 3HG2 ILE 80 5.189 -1.361 -16.801 625 HD11 ILE 80 3HD1 ILE 80 8.583 -1.725 -18.249 626 HD12 ILE 80 1HD1 ILE 80 8.133 -0.627 -19.553 627 HD13 ILE 80 2HD1 ILE 80 9.718 -0.489 -18.792 628 H GLU 81 H GLU 81 4.963 -0.758 -20.566 629 HA GLU 81 HA GLU 81 2.288 -1.019 -19.377 630 HB2 GLU 81 2HB GLU 81 3.203 -1.421 -22.230 631 HB3 GLU 81 3HB GLU 81 1.557 -1.655 -21.660 632 HG2 GLU 81 2HG GLU 81 1.133 0.560 -21.533 633 HG3 GLU 81 3HG GLU 81 2.792 0.966 -21.096 634 H ILE 82 H ILE 82 1.215 -3.070 -19.458 635 HA ILE 82 HA ILE 82 3.096 -5.302 -19.186 636 HB ILE 82 HB ILE 82 0.202 -5.204 -18.334 637 HG12 ILE 82 2HG1 ILE 82 1.487 -3.522 -17.113 638 HG13 ILE 82 3HG1 ILE 82 1.074 -4.864 -16.051 639 HG21 ILE 82 1HG2 ILE 82 1.955 -7.014 -16.914 640 HG22 ILE 82 2HG2 ILE 82 0.422 -7.332 -17.723 641 HG23 ILE 82 3HG2 ILE 82 1.925 -7.355 -18.644 642 HD11 ILE 82 3HD1 ILE 82 3.608 -3.759 -16.565 643 HD12 ILE 82 1HD1 ILE 82 3.205 -5.144 -15.550 644 HD13 ILE 82 2HD1 ILE 82 3.602 -5.383 -17.252 645 H VAL 83 H VAL 83 3.078 -7.014 -20.517 646 HA VAL 83 HA VAL 83 0.788 -7.433 -22.293 647 HB VAL 83 HB VAL 83 2.327 -6.090 -23.613 648 HG11 VAL 83 1HG1 VAL 83 4.358 -6.815 -22.279 649 HG12 VAL 83 2HG1 VAL 83 4.389 -8.255 -23.298 650 HG13 VAL 83 3HG1 VAL 83 4.579 -6.658 -24.021 651 HG21 VAL 83 3HG2 VAL 83 2.243 -8.999 -24.396 652 HG22 VAL 83 1HG2 VAL 83 1.084 -7.741 -24.824 653 HG23 VAL 83 2HG2 VAL 83 2.719 -7.694 -25.482 654 HA PRO 84 HA PRO 84 1.531 -11.615 -21.060 655 HB2 PRO 84 2HB PRO 84 -0.155 -12.804 -22.825 656 HB3 PRO 84 3HB PRO 84 -0.720 -11.940 -21.390 657 HG2 PRO 84 2HG PRO 84 -0.571 -11.003 -24.230 658 HG3 PRO 84 3HG PRO 84 -1.869 -10.776 -23.043 659 HD2 PRO 84 2HD PRO 84 -0.066 -8.839 -23.617 660 HD3 PRO 84 3HD PRO 84 -0.787 -9.026 -22.006 661 H ASP 85 H ASP 85 2.660 -13.421 -21.756 662 HA ASP 85 HA ASP 85 4.289 -13.025 -24.122 663 HB2 ASP 85 2HB ASP 85 5.396 -13.764 -22.089 664 HB3 ASP 85 3HB ASP 85 4.338 -15.169 -21.988 665 H GLY 86 H GLY 86 1.573 -14.927 -23.118 666 HA2 GLY 86 2HA GLY 86 0.255 -15.702 -25.122 667 HA3 GLY 86 3HA GLY 86 1.749 -16.476 -25.627 668 H GLU 87 H GLU 87 2.515 -17.351 -22.985 669 HA GLU 87 HA GLU 87 0.863 -19.727 -22.866 670 HB2 GLU 87 2HB GLU 87 3.196 -19.106 -21.068 671 HB3 GLU 87 3HB GLU 87 2.562 -20.680 -21.528 672 HG2 GLU 87 2HG GLU 87 3.234 -19.762 -23.947 673 HG3 GLU 87 3HG GLU 87 4.402 -18.878 -22.966 674 H GLY 88 H GLY 88 1.299 -16.783 -21.099 675 HA2 GLY 88 2HA GLY 88 -0.910 -16.496 -19.739 676 HA3 GLY 88 3HA GLY 88 -0.221 -17.822 -18.815 677 H ASN 89 H ASN 89 2.499 -16.503 -19.534 678 HA ASN 89 HA ASN 89 2.633 -14.949 -17.100 679 HB2 ASN 89 2HB ASN 89 4.996 -15.016 -17.360 680 HB3 ASN 89 3HB ASN 89 4.407 -16.598 -17.862 681 HD21 ASN 89 1HD2 ASN 89 4.995 -17.334 -19.784 682 HD22 ASN 89 2HD2 ASN 89 5.749 -16.402 -21.028 683 H TRP 90 H TRP 90 3.403 -12.792 -16.965 684 HA TRP 90 HA TRP 90 2.771 -11.202 -19.356 685 HB2 TRP 90 2HB TRP 90 2.852 -10.343 -16.455 686 HB3 TRP 90 3HB TRP 90 2.375 -9.335 -17.818 687 HD1 TRP 90 HD1 TRP 90 1.130 -12.272 -15.691 688 HE1 TRP 90 HE1 TRP 90 -1.409 -12.515 -16.039 689 HE3 TRP 90 HE3 TRP 90 0.497 -8.866 -19.450 690 HZ2 TRP 90 HZ2 TRP 90 -3.414 -11.409 -17.689 691 HZ3 TRP 90 HZ3 TRP 90 -1.764 -8.518 -20.358 692 HH2 TRP 90 HH2 TRP 90 -3.677 -9.764 -19.495 693 H LEU 91 H LEU 91 4.049 -9.248 -19.727 694 HA LEU 91 HA LEU 91 6.742 -9.288 -18.586 695 HB2 LEU 91 2HB LEU 91 6.212 -10.387 -21.059 696 HB3 LEU 91 3HB LEU 91 6.762 -8.758 -21.449 697 HG LEU 91 HG LEU 91 8.852 -9.168 -20.260 698 HD11 LEU 91 1HD1 LEU 91 8.929 -11.922 -19.915 699 HD12 LEU 91 2HD1 LEU 91 7.377 -11.432 -19.236 700 HD13 LEU 91 3HD1 LEU 91 8.868 -10.696 -18.648 701 HD21 LEU 91 3HD2 LEU 91 8.859 -11.575 -21.891 702 HD22 LEU 91 1HD2 LEU 91 9.749 -10.066 -22.094 703 HD23 LEU 91 2HD2 LEU 91 8.098 -10.204 -22.699 704 H GLU 92 H GLU 92 7.934 -7.307 -18.941 705 HA GLU 92 HA GLU 92 6.181 -5.005 -18.894 706 HB2 GLU 92 2HB GLU 92 8.176 -3.752 -18.247 707 HB3 GLU 92 3HB GLU 92 7.995 -5.194 -17.257 708 HG2 GLU 92 2HG GLU 92 9.686 -5.394 -19.682 709 HG3 GLU 92 3HG GLU 92 10.313 -4.480 -18.312 710 H ARG 93 H ARG 93 6.247 -3.257 -20.300 711 HA ARG 93 HA ARG 93 7.907 -3.499 -22.699 712 HB2 ARG 93 2HB ARG 93 5.445 -4.440 -22.893 713 HB3 ARG 93 3HB ARG 93 5.043 -2.736 -23.057 714 HG2 ARG 93 2HG ARG 93 5.294 -3.400 -25.247 715 HG3 ARG 93 3HG ARG 93 6.883 -2.727 -24.877 716 HD2 ARG 93 2HD ARG 93 7.751 -4.960 -24.460 717 HD3 ARG 93 3HD ARG 93 6.157 -5.652 -24.757 718 HE ARG 93 HE ARG 93 8.079 -4.871 -26.716 719 HH11 ARG 93 1HH1 ARG 93 4.666 -5.158 -26.092 720 HH12 ARG 93 2HH1 ARG 93 4.243 -5.339 -27.763 721 HH21 ARG 93 1HH2 ARG 93 7.535 -5.108 -28.918 722 HH22 ARG 93 2HH2 ARG 93 5.876 -5.311 -29.369 723 HA PRO 94 HA PRO 94 8.067 0.788 -21.126 724 HB2 PRO 94 2HB PRO 94 10.592 1.236 -22.018 725 HB3 PRO 94 3HB PRO 94 10.244 0.429 -20.484 726 HG2 PRO 94 2HG PRO 94 10.966 -0.766 -23.133 727 HG3 PRO 94 3HG PRO 94 11.545 -1.201 -21.514 728 HD2 PRO 94 2HD PRO 94 9.626 -2.612 -22.802 729 HD3 PRO 94 3HD PRO 94 9.662 -2.441 -21.036 730 H ARG 95 H ARG 95 6.563 1.601 -22.606 731 HA ARG 95 HA ARG 95 7.509 2.111 -25.335 732 HB2 ARG 95 2HB ARG 95 5.283 1.014 -24.977 733 HB3 ARG 95 3HB ARG 95 4.731 2.499 -24.214 734 HG2 ARG 95 2HG ARG 95 4.628 3.641 -26.186 735 HG3 ARG 95 3HG ARG 95 5.896 2.672 -26.940 736 HD2 ARG 95 2HD ARG 95 4.322 0.767 -27.043 737 HD3 ARG 95 3HD ARG 95 3.060 1.808 -26.385 738 HE ARG 95 HE ARG 95 4.288 2.852 -28.763 739 HH11 ARG 95 1HH1 ARG 95 1.813 0.749 -27.508 740 HH12 ARG 95 2HH1 ARG 95 0.825 0.850 -28.928 741 HH21 ARG 95 1HH2 ARG 95 2.996 2.992 -30.638 742 HH22 ARG 95 2HH2 ARG 95 1.499 2.125 -30.708 743 H SER 96 H SER 96 7.085 4.230 -26.288 744 HA SER 96 HA SER 96 7.127 6.402 -24.298 745 HB2 SER 96 2HB SER 96 8.567 7.197 -26.633 746 HB3 SER 96 3HB SER 96 9.166 7.021 -24.983 747 HG SER 96 HG SER 96 10.341 5.635 -26.240 748 H LEU 97 H LEU 97 5.563 7.839 -24.580 749 HA LEU 97 HA LEU 97 4.131 7.890 -27.133 750 HB2 LEU 97 2HB LEU 97 3.262 9.356 -24.676 751 HB3 LEU 97 3HB LEU 97 2.284 8.719 -25.997 752 HG LEU 97 HG LEU 97 3.572 7.154 -23.766 753 HD11 LEU 97 1HD1 LEU 97 0.709 7.728 -24.503 754 HD12 LEU 97 2HD1 LEU 97 1.569 8.259 -23.059 755 HD13 LEU 97 3HD1 LEU 97 1.209 6.548 -23.291 756 HD21 LEU 97 3HD2 LEU 97 2.175 6.238 -26.268 757 HD22 LEU 97 1HD2 LEU 97 2.333 5.226 -24.832 758 HD23 LEU 97 2HD2 LEU 97 3.776 5.783 -25.680 759 H THR 98 H THR 98 5.055 9.275 -28.518 760 HA THR 98 HA THR 98 6.288 11.726 -27.639 761 HB THR 98 HB THR 98 6.884 12.099 -29.922 762 HG1 THR 98 HG1 THR 98 5.813 11.229 -31.585 763 HG21 THR 98 3HG2 THR 98 7.959 10.162 -28.642 764 HG22 THR 98 1HG2 THR 98 8.167 10.184 -30.393 765 HG23 THR 98 2HG2 THR 98 6.980 9.105 -29.658 766 H LEU 99 H LEU 99 5.668 13.842 -28.339 767 HA LEU 99 HA LEU 99 3.040 14.531 -27.868 768 HB2 LEU 99 2HB LEU 99 5.311 15.916 -28.217 769 HB3 LEU 99 3HB LEU 99 4.527 16.250 -29.760 770 HG LEU 99 HG LEU 99 2.532 17.052 -28.422 771 HD11 LEU 99 1HD1 LEU 99 3.446 17.907 -26.094 772 HD12 LEU 99 2HD1 LEU 99 4.461 16.472 -26.240 773 HD13 LEU 99 3HD1 LEU 99 2.704 16.316 -26.273 774 HD21 LEU 99 3HD2 LEU 99 5.140 18.537 -28.115 775 HD22 LEU 99 1HD2 LEU 99 3.527 19.240 -28.000 776 HD23 LEU 99 2HD2 LEU 99 4.090 18.571 -29.532 777 H LYS 100 H LYS 100 1.225 14.270 -28.972 778 HA LYS 100 HA LYS 100 1.003 13.020 -31.426 779 HB2 LYS 100 2HB LYS 100 -1.316 13.764 -31.452 780 HB3 LYS 100 3HB LYS 100 -0.855 13.263 -29.830 781 HG2 LYS 100 2HG LYS 100 -0.589 15.588 -29.169 782 HG3 LYS 100 3HG LYS 100 -1.002 16.110 -30.804 783 HD2 LYS 100 2HD LYS 100 -2.851 14.421 -29.139 784 HD3 LYS 100 3HD LYS 100 -2.859 16.184 -29.063 785 HE2 LYS 100 2HE LYS 100 -3.108 14.716 -31.670 786 HE3 LYS 100 3HE LYS 100 -4.512 15.038 -30.654 787 HZ1 LYS 100 3HZ LYS 100 -3.045 16.820 -32.353 788 HZ2 LYS 100 1HZ LYS 100 -3.261 17.444 -30.795 789 HZ3 LYS 100 2HZ LYS 100 -4.603 16.978 -31.713 790 H GLU 101 H GLU 101 0.997 13.643 -33.520 791 HA GLU 101 HA GLU 101 1.350 16.516 -34.074 792 HB2 GLU 101 2HB GLU 101 2.836 15.924 -35.915 793 HB3 GLU 101 3HB GLU 101 3.446 15.279 -34.398 794 HG2 GLU 101 2HG GLU 101 2.529 13.080 -34.980 795 HG3 GLU 101 3HG GLU 101 1.969 13.735 -36.517 796 H ARG 102 H ARG 102 1.131 16.700 -36.691 797 HA ARG 102 HA ARG 102 -1.506 15.536 -37.302 798 HB2 ARG 102 2HB ARG 102 -1.730 17.569 -38.829 799 HB3 ARG 102 3HB ARG 102 -1.822 17.861 -37.098 800 HG2 ARG 102 2HG ARG 102 0.830 18.098 -38.407 801 HG3 ARG 102 3HG ARG 102 -0.360 19.368 -38.696 802 HD2 ARG 102 2HD ARG 102 -0.620 19.237 -36.074 803 HD3 ARG 102 3HD ARG 102 1.012 18.577 -36.175 804 HE ARG 102 HE ARG 102 0.687 21.011 -37.655 805 HH11 ARG 102 1HH1 ARG 102 1.315 19.658 -34.509 806 HH12 ARG 102 2HH1 ARG 102 2.150 21.061 -33.929 807 HH21 ARG 102 1HH2 ARG 102 1.784 22.863 -36.902 808 HH22 ARG 102 2HH2 ARG 102 2.415 22.884 -35.291 809 H SER 103 H SER 103 1.717 16.184 -38.467 810 HA SER 103 HA SER 103 1.255 15.464 -41.180 811 HB2 SER 103 2HB SER 103 3.681 15.435 -41.391 812 HB3 SER 103 3HB SER 103 3.189 16.835 -40.437 813 HG SER 103 HG SER 103 4.845 14.866 -39.752 814 H LEU 104 H LEU 104 0.894 13.515 -41.988 815 HA LEU 104 HA LEU 104 0.823 11.169 -40.477 816 HB2 LEU 104 2HB LEU 104 0.745 11.812 -43.377 817 HB3 LEU 104 3HB LEU 104 1.008 10.133 -42.908 818 HG LEU 104 HG LEU 104 -1.145 10.610 -41.425 819 HD11 LEU 104 1HD1 LEU 104 -2.675 11.958 -43.053 820 HD12 LEU 104 2HD1 LEU 104 -1.158 12.705 -43.549 821 HD13 LEU 104 3HD1 LEU 104 -1.679 12.802 -41.867 822 HD21 LEU 104 3HD2 LEU 104 -1.419 8.835 -42.807 823 HD22 LEU 104 1HD2 LEU 104 -0.761 9.682 -44.208 824 HD23 LEU 104 2HD2 LEU 104 -2.419 9.989 -43.691 825 H GLU 105 H GLU 105 2.108 9.210 -40.747 826 HA GLU 105 HA GLU 105 4.908 9.736 -41.479 827 HB2 GLU 105 2HB GLU 105 5.597 8.326 -39.536 828 HB3 GLU 105 3HB GLU 105 4.848 9.851 -39.083 829 HG2 GLU 105 2HG GLU 105 2.826 8.783 -38.475 830 HG3 GLU 105 3HG GLU 105 3.332 7.261 -39.207 831 H HIS 106 H HIS 106 6.162 7.588 -41.570 832 HA HIS 106 HA HIS 106 4.480 5.625 -42.980 833 HB2 HIS 106 2HB HIS 106 7.227 6.668 -43.465 834 HB3 HIS 106 3HB HIS 106 6.912 4.983 -43.869 835 HD1 HIS 106 HD1 HIS 106 7.527 6.283 -46.297 836 HD2 HIS 106 HD2 HIS 106 3.743 6.775 -44.653 837 HE1 HIS 106 HE1 HIS 106 6.062 7.038 -48.196 838 H HIS 107 H HIS 107 3.990 4.073 -41.541 839 HA HIS 107 HA HIS 107 6.030 2.314 -40.629 840 HB2 HIS 107 2HB HIS 107 6.189 4.194 -38.957 841 HB3 HIS 107 3HB HIS 107 4.549 3.798 -38.453 842 HD1 HIS 107 HD1 HIS 107 7.956 2.134 -38.674 843 HD2 HIS 107 HD2 HIS 107 4.411 1.897 -36.519 844 HE1 HIS 107 HE1 HIS 107 8.381 0.439 -36.866 845 H HIS 108 H HIS 108 5.215 0.335 -39.976 846 HA HIS 108 HA HIS 108 2.301 0.043 -40.262 847 HB2 HIS 108 2HB HIS 108 3.890 -1.145 -41.881 848 HB3 HIS 108 3HB HIS 108 4.319 -2.180 -40.522 849 HD1 HIS 108 HD1 HIS 108 3.301 -4.082 -42.149 850 HD2 HIS 108 HD2 HIS 108 0.592 -1.382 -40.527 851 HE1 HIS 108 HE1 HIS 108 1.042 -5.153 -42.418 852 H HIS 109 H HIS 109 1.117 -0.738 -38.625 853 HA HIS 109 HA HIS 109 2.548 -1.850 -36.300 854 HB2 HIS 109 2HB HIS 109 1.657 0.455 -35.915 855 HB3 HIS 109 3HB HIS 109 0.036 -0.168 -36.206 856 HD1 HIS 109 HD1 HIS 109 -1.172 -1.070 -34.227 857 HD2 HIS 109 HD2 HIS 109 2.920 -0.776 -33.568 858 HE1 HIS 109 HE1 HIS 109 -0.839 -1.640 -31.800 859 H HIS 110 H HIS 110 1.454 -3.453 -35.083 860 HA HIS 110 HA HIS 110 -0.547 -4.916 -36.658 861 HB2 HIS 110 2HB HIS 110 1.734 -5.915 -35.826 862 HB3 HIS 110 3HB HIS 110 0.873 -6.100 -34.301 863 HD1 HIS 110 HD1 HIS 110 1.188 -8.709 -34.697 864 HD2 HIS 110 HD2 HIS 110 -1.305 -6.771 -37.396 865 HE1 HIS 110 HE1 HIS 110 -0.107 -10.533 -35.845 866 H HIS 111 H HIS 111 -2.416 -5.755 -35.683 867 HA HIS 111 HA HIS 111 -3.286 -4.246 -33.330 868 HB2 HIS 111 2HB HIS 111 -4.621 -4.268 -35.500 869 HB3 HIS 111 3HB HIS 111 -5.020 -5.941 -35.124 870 HD1 HIS 111 HD1 HIS 111 -7.534 -5.243 -34.953 871 HD2 HIS 111 HD2 HIS 111 -5.039 -3.468 -32.145 872 HE1 HIS 111 HE1 HIS 111 -9.066 -4.266 -33.215 Start of MODEL 16 1 H1 ASP 1 H ASP 1 -17.999 -20.337 -34.138 2 HA ASP 1 HA ASP 1 -19.191 -21.992 -32.116 3 HB2 ASP 1 2HB ASP 1 -18.799 -23.627 -33.951 4 HB3 ASP 1 3HB ASP 1 -17.083 -23.230 -33.897 5 H LEU 2 H LEU 2 -17.689 -22.506 -30.382 6 HA LEU 2 HA LEU 2 -15.177 -21.000 -30.435 7 HB2 LEU 2 2HB LEU 2 -15.797 -20.330 -28.007 8 HB3 LEU 2 3HB LEU 2 -16.430 -19.400 -29.363 9 HG LEU 2 HG LEU 2 -18.107 -21.604 -28.279 10 HD11 LEU 2 1HD1 LEU 2 -17.494 -20.634 -26.221 11 HD12 LEU 2 2HD1 LEU 2 -19.053 -19.925 -26.640 12 HD13 LEU 2 3HD1 LEU 2 -17.571 -18.999 -26.878 13 HD21 LEU 2 3HD2 LEU 2 -18.427 -19.071 -29.773 14 HD22 LEU 2 1HD2 LEU 2 -19.728 -19.515 -28.669 15 HD23 LEU 2 2HD2 LEU 2 -19.257 -20.616 -29.963 16 H THR 3 H THR 3 -13.796 -21.523 -28.513 17 HA THR 3 HA THR 3 -14.307 -24.220 -27.463 18 HB THR 3 HB THR 3 -12.012 -24.900 -27.853 19 HG1 THR 3 HG1 THR 3 -10.739 -23.425 -29.268 20 HG21 THR 3 3HG2 THR 3 -12.550 -23.913 -30.557 21 HG22 THR 3 1HG2 THR 3 -13.938 -24.682 -29.788 22 HG23 THR 3 2HG2 THR 3 -12.423 -25.568 -29.960 23 H VAL 4 H VAL 4 -12.595 -24.753 -25.722 24 HA VAL 4 HA VAL 4 -11.884 -22.355 -24.182 25 HB VAL 4 HB VAL 4 -12.583 -23.631 -22.095 26 HG11 VAL 4 1HG1 VAL 4 -14.564 -22.559 -24.083 27 HG12 VAL 4 2HG1 VAL 4 -15.032 -23.036 -22.450 28 HG13 VAL 4 3HG1 VAL 4 -13.855 -21.744 -22.689 29 HG21 VAL 4 3HG2 VAL 4 -13.732 -25.567 -22.198 30 HG22 VAL 4 1HG2 VAL 4 -14.606 -25.090 -23.653 31 HG23 VAL 4 2HG2 VAL 4 -12.963 -25.716 -23.777 32 H ARG 5 H ARG 5 -9.774 -22.972 -25.128 33 HA ARG 5 HA ARG 5 -8.514 -25.177 -23.635 34 HB2 ARG 5 2HB ARG 5 -6.758 -25.032 -25.491 35 HB3 ARG 5 3HB ARG 5 -8.320 -25.721 -25.913 36 HG2 ARG 5 2HG ARG 5 -8.991 -23.560 -26.874 37 HG3 ARG 5 3HG ARG 5 -7.392 -22.917 -26.495 38 HD2 ARG 5 2HD ARG 5 -7.539 -23.613 -28.832 39 HD3 ARG 5 3HD ARG 5 -6.366 -24.585 -27.945 40 HE ARG 5 HE ARG 5 -8.771 -25.953 -27.843 41 HH11 ARG 5 1HH1 ARG 5 -6.523 -24.875 -30.273 42 HH12 ARG 5 2HH1 ARG 5 -6.883 -26.170 -31.367 43 HH21 ARG 5 1HH2 ARG 5 -9.254 -27.662 -29.275 44 HH22 ARG 5 2HH2 ARG 5 -8.438 -27.753 -30.799 45 H GLN 6 H GLN 6 -6.893 -24.714 -22.279 46 HA GLN 6 HA GLN 6 -5.089 -22.566 -22.588 47 HB2 GLN 6 2HB GLN 6 -7.344 -21.479 -21.832 48 HB3 GLN 6 3HB GLN 6 -6.904 -22.104 -20.249 49 HG2 GLN 6 2HG GLN 6 -4.871 -20.542 -21.740 50 HG3 GLN 6 3HG GLN 6 -6.235 -19.676 -21.036 51 HE21 GLN 6 1HE2 GLN 6 -6.702 -20.818 -18.711 52 HE22 GLN 6 2HE2 GLN 6 -5.322 -20.761 -17.673 53 H LYS 7 H LYS 7 -3.430 -22.588 -21.041 54 HA LYS 7 HA LYS 7 -3.613 -24.458 -18.821 55 HB2 LYS 7 2HB LYS 7 -1.404 -25.509 -19.567 56 HB3 LYS 7 3HB LYS 7 -2.857 -26.004 -20.425 57 HG2 LYS 7 2HG LYS 7 -2.295 -24.378 -22.211 58 HG3 LYS 7 3HG LYS 7 -0.780 -24.041 -21.370 59 HD2 LYS 7 2HD LYS 7 -1.558 -26.831 -22.164 60 HD3 LYS 7 3HD LYS 7 -0.733 -25.745 -23.285 61 HE2 LYS 7 2HE LYS 7 1.152 -25.563 -21.834 62 HE3 LYS 7 3HE LYS 7 0.305 -26.401 -20.535 63 HZ1 LYS 7 3HZ LYS 7 1.349 -27.527 -23.062 64 HZ2 LYS 7 1HZ LYS 7 0.197 -28.346 -22.132 65 HZ3 LYS 7 2HZ LYS 7 1.714 -27.988 -21.475 66 H GLY 8 H GLY 8 -2.202 -24.009 -17.156 67 HA2 GLY 8 2HA GLY 8 0.063 -22.938 -16.690 68 HA3 GLY 8 3HA GLY 8 -0.626 -21.539 -17.501 69 H ASN 9 H ASN 9 -0.866 -23.612 -14.667 70 HA ASN 9 HA ASN 9 -2.333 -21.452 -13.301 71 HB2 ASN 9 2HB ASN 9 -2.953 -23.419 -11.694 72 HB3 ASN 9 3HB ASN 9 -3.818 -23.237 -13.218 73 HD21 ASN 9 1HD2 ASN 9 -1.698 -25.182 -11.355 74 HD22 ASN 9 2HD2 ASN 9 -1.578 -26.503 -12.461 75 H LYS 10 H LYS 10 0.397 -23.594 -13.249 76 HA LYS 10 HA LYS 10 1.147 -22.989 -10.534 77 HB2 LYS 10 2HB LYS 10 2.618 -24.384 -12.775 78 HB3 LYS 10 3HB LYS 10 3.251 -24.208 -11.143 79 HG2 LYS 10 2HG LYS 10 1.858 -25.774 -10.282 80 HG3 LYS 10 3HG LYS 10 0.560 -25.407 -11.420 81 HD2 LYS 10 2HD LYS 10 1.952 -26.479 -13.210 82 HD3 LYS 10 3HD LYS 10 3.066 -27.000 -11.943 83 HE2 LYS 10 2HE LYS 10 0.990 -28.036 -10.836 84 HE3 LYS 10 3HE LYS 10 0.219 -27.826 -12.407 85 HZ1 LYS 10 3HZ LYS 10 1.822 -29.235 -13.416 86 HZ2 LYS 10 1HZ LYS 10 1.253 -30.043 -12.043 87 HZ3 LYS 10 2HZ LYS 10 2.768 -29.291 -12.015 88 H VAL 11 H VAL 11 0.839 -20.584 -11.415 89 HA VAL 11 HA VAL 11 3.529 -19.508 -11.539 90 HB VAL 11 HB VAL 11 2.881 -17.944 -13.423 91 HG11 VAL 11 1HG1 VAL 11 3.017 -20.820 -14.288 92 HG12 VAL 11 2HG1 VAL 11 3.694 -19.399 -15.088 93 HG13 VAL 11 3HG1 VAL 11 4.394 -19.979 -13.576 94 HG21 VAL 11 3HG2 VAL 11 0.409 -19.185 -13.140 95 HG22 VAL 11 1HG2 VAL 11 0.901 -18.089 -14.431 96 HG23 VAL 11 2HG2 VAL 11 1.062 -19.832 -14.645 97 H ILE 12 H ILE 12 3.212 -16.932 -11.793 98 HA ILE 12 HA ILE 12 1.241 -16.215 -9.728 99 HB ILE 12 HB ILE 12 2.707 -14.168 -9.420 100 HG12 ILE 12 2HG1 ILE 12 4.664 -15.856 -10.994 101 HG13 ILE 12 3HG1 ILE 12 3.913 -14.374 -11.573 102 HG21 ILE 12 1HG2 ILE 12 3.866 -16.885 -8.815 103 HG22 ILE 12 2HG2 ILE 12 4.339 -15.378 -8.033 104 HG23 ILE 12 3HG2 ILE 12 2.701 -15.999 -7.832 105 HD11 ILE 12 3HD1 ILE 12 6.018 -13.705 -10.872 106 HD12 ILE 12 1HD1 ILE 12 4.974 -13.273 -9.518 107 HD13 ILE 12 2HD1 ILE 12 5.971 -14.726 -9.434 108 H LYS 13 H LYS 13 0.170 -14.161 -9.895 109 HA LYS 13 HA LYS 13 0.285 -12.649 -12.327 110 HB2 LYS 13 2HB LYS 13 -2.214 -13.085 -12.791 111 HB3 LYS 13 3HB LYS 13 -1.047 -14.288 -13.325 112 HG2 LYS 13 2HG LYS 13 -1.537 -15.628 -11.327 113 HG3 LYS 13 3HG LYS 13 -2.740 -14.433 -10.837 114 HD2 LYS 13 2HD LYS 13 -2.815 -15.931 -13.453 115 HD3 LYS 13 3HD LYS 13 -3.683 -16.435 -12.001 116 HE2 LYS 13 2HE LYS 13 -4.912 -14.329 -11.994 117 HE3 LYS 13 3HE LYS 13 -4.023 -13.793 -13.419 118 HZ1 LYS 13 3HZ LYS 13 -4.961 -15.965 -14.437 119 HZ2 LYS 13 1HZ LYS 13 -5.954 -14.599 -14.328 120 HZ3 LYS 13 2HZ LYS 13 -6.111 -15.852 -13.202 121 HA PRO 14 HA PRO 14 -1.357 -9.513 -9.733 122 HB2 PRO 14 2HB PRO 14 -2.739 -7.990 -11.505 123 HB3 PRO 14 3HB PRO 14 -0.973 -8.038 -11.452 124 HG2 PRO 14 2HG PRO 14 -2.854 -9.478 -13.282 125 HG3 PRO 14 3HG PRO 14 -1.330 -8.656 -13.665 126 HD2 PRO 14 2HD PRO 14 -1.507 -11.345 -13.396 127 HD3 PRO 14 3HD PRO 14 -0.046 -10.435 -12.958 128 H ASP 15 H ASP 15 -3.243 -8.737 -8.709 129 HA ASP 15 HA ASP 15 -5.647 -10.357 -9.236 130 HB2 ASP 15 2HB ASP 15 -4.233 -10.320 -6.935 131 HB3 ASP 15 3HB ASP 15 -5.362 -9.005 -6.616 132 H GLU 16 H GLU 16 -7.589 -9.094 -7.970 133 HA GLU 16 HA GLU 16 -7.712 -6.484 -9.317 134 HB2 GLU 16 2HB GLU 16 -10.093 -6.736 -9.393 135 HB3 GLU 16 3HB GLU 16 -9.376 -8.232 -9.974 136 HG2 GLU 16 2HG GLU 16 -9.762 -9.264 -7.793 137 HG3 GLU 16 3HG GLU 16 -10.490 -7.766 -7.217 138 H THR 17 H THR 17 -7.792 -8.040 -6.250 139 HA THR 17 HA THR 17 -9.231 -6.308 -4.662 140 HB THR 17 HB THR 17 -7.730 -6.961 -2.796 141 HG1 THR 17 HG1 THR 17 -5.886 -8.060 -3.185 142 HG21 THR 17 3HG2 THR 17 -8.705 -9.098 -4.680 143 HG22 THR 17 1HG2 THR 17 -9.499 -8.471 -3.236 144 HG23 THR 17 2HG2 THR 17 -8.051 -9.467 -3.084 145 H ARG 18 H ARG 18 -6.083 -5.861 -6.099 146 HA ARG 18 HA ARG 18 -5.110 -3.766 -4.533 147 HB2 ARG 18 2HB ARG 18 -4.707 -4.421 -7.450 148 HB3 ARG 18 3HB ARG 18 -3.846 -3.122 -6.637 149 HG2 ARG 18 2HG ARG 18 -3.311 -5.123 -4.942 150 HG3 ARG 18 3HG ARG 18 -3.505 -6.044 -6.435 151 HD2 ARG 18 2HD ARG 18 -1.924 -3.660 -6.857 152 HD3 ARG 18 3HD ARG 18 -1.234 -4.673 -5.589 153 HE ARG 18 HE ARG 18 -0.730 -6.267 -7.168 154 HH11 ARG 18 1HH1 ARG 18 -2.840 -3.868 -8.550 155 HH12 ARG 18 2HH1 ARG 18 -2.646 -4.443 -10.173 156 HH21 ARG 18 1HH2 ARG 18 -0.466 -7.034 -9.300 157 HH22 ARG 18 2HH2 ARG 18 -1.296 -6.244 -10.598 158 H VAL 19 H VAL 19 -4.684 -1.530 -5.848 159 HA VAL 19 HA VAL 19 -7.064 -0.082 -5.636 160 HB VAL 19 HB VAL 19 -4.921 1.022 -5.428 161 HG11 VAL 19 1HG1 VAL 19 -4.188 1.275 -8.192 162 HG12 VAL 19 2HG1 VAL 19 -3.232 0.684 -6.831 163 HG13 VAL 19 3HG1 VAL 19 -4.262 -0.426 -7.736 164 HG21 VAL 19 3HG2 VAL 19 -6.937 2.279 -6.251 165 HG22 VAL 19 1HG2 VAL 19 -5.382 3.011 -6.650 166 HG23 VAL 19 2HG2 VAL 19 -6.281 2.123 -7.880 167 H LYS 20 H LYS 20 -8.707 0.282 -6.980 168 HA LYS 20 HA LYS 20 -8.426 -0.594 -9.778 169 HB2 LYS 20 2HB LYS 20 -11.026 -0.310 -8.280 170 HB3 LYS 20 3HB LYS 20 -10.735 -1.157 -9.794 171 HG2 LYS 20 2HG LYS 20 -10.771 -2.960 -8.448 172 HG3 LYS 20 3HG LYS 20 -9.078 -2.529 -8.199 173 HD2 LYS 20 2HD LYS 20 -9.846 -2.799 -6.030 174 HD3 LYS 20 3HD LYS 20 -10.002 -1.058 -6.269 175 HE2 LYS 20 2HE LYS 20 -12.365 -1.317 -6.768 176 HE3 LYS 20 3HE LYS 20 -12.224 -3.068 -6.620 177 HZ1 LYS 20 3HZ LYS 20 -12.762 -1.226 -4.607 178 HZ2 LYS 20 1HZ LYS 20 -11.225 -1.856 -4.286 179 HZ3 LYS 20 2HZ LYS 20 -12.548 -2.897 -4.452 180 H GLN 21 H GLN 21 -7.519 1.554 -10.208 181 HA GLN 21 HA GLN 21 -9.003 3.925 -9.840 182 HB2 GLN 21 2HB GLN 21 -6.603 3.114 -11.366 183 HB3 GLN 21 3HB GLN 21 -7.449 4.533 -11.968 184 HG2 GLN 21 2HG GLN 21 -6.319 4.141 -9.207 185 HG3 GLN 21 3HG GLN 21 -5.702 5.209 -10.467 186 HE21 GLN 21 1HE2 GLN 21 -6.962 5.479 -7.655 187 HE22 GLN 21 2HE2 GLN 21 -8.078 6.782 -7.857 188 H PHE 22 H PHE 22 -9.434 5.297 -11.985 189 HA PHE 22 HA PHE 22 -11.555 3.857 -13.345 190 HB2 PHE 22 2HB PHE 22 -12.171 6.026 -12.576 191 HB3 PHE 22 3HB PHE 22 -10.737 6.760 -13.286 192 HD1 PHE 22 HD2 PHE 22 -10.611 7.197 -15.670 193 HD2 PHE 22 HD1 PHE 22 -14.097 5.497 -13.917 194 HE1 PHE 22 HE2 PHE 22 -11.886 7.718 -17.708 195 HE2 PHE 22 HE1 PHE 22 -15.377 6.013 -15.954 196 HZ PHE 22 HZ PHE 22 -14.272 7.127 -17.852 197 H LEU 23 H LEU 23 -8.389 5.135 -14.008 198 HA LEU 23 HA LEU 23 -8.692 4.653 -16.876 199 HB2 LEU 23 2HB LEU 23 -6.189 5.633 -15.561 200 HB3 LEU 23 3HB LEU 23 -6.758 5.908 -17.206 201 HG LEU 23 HG LEU 23 -8.498 7.053 -15.151 202 HD11 LEU 23 1HD1 LEU 23 -7.053 8.837 -14.488 203 HD12 LEU 23 2HD1 LEU 23 -5.751 8.234 -15.512 204 HD13 LEU 23 3HD1 LEU 23 -6.256 7.313 -14.096 205 HD21 LEU 23 3HD2 LEU 23 -8.805 7.534 -17.491 206 HD22 LEU 23 1HD2 LEU 23 -7.142 8.105 -17.630 207 HD23 LEU 23 2HD2 LEU 23 -8.306 9.008 -16.659 208 H GLU 24 H GLU 24 -7.052 3.419 -14.044 209 HA GLU 24 HA GLU 24 -5.236 1.711 -15.390 210 HB2 GLU 24 2HB GLU 24 -6.380 1.558 -12.596 211 HB3 GLU 24 3HB GLU 24 -5.061 0.557 -13.187 212 HG2 GLU 24 2HG GLU 24 -3.712 2.559 -13.566 213 HG3 GLU 24 3HG GLU 24 -5.032 3.558 -12.963 214 H GLY 25 H GLY 25 -8.551 1.624 -15.253 215 HA2 GLY 25 2HA GLY 25 -8.850 -1.257 -15.116 216 HA3 GLY 25 3HA GLY 25 -10.130 -0.085 -15.389 217 H PHE 26 H PHE 26 -8.151 1.027 -17.537 218 HA PHE 26 HA PHE 26 -9.119 -0.768 -19.651 219 HB2 PHE 26 2HB PHE 26 -8.143 2.085 -19.894 220 HB3 PHE 26 3HB PHE 26 -8.876 1.119 -21.171 221 HD1 PHE 26 HD1 PHE 26 -11.278 0.367 -20.869 222 HD2 PHE 26 HD2 PHE 26 -9.457 3.361 -18.454 223 HE1 PHE 26 HE1 PHE 26 -13.504 1.186 -20.212 224 HE2 PHE 26 HE2 PHE 26 -11.679 4.185 -17.793 225 HZ PHE 26 HZ PHE 26 -13.706 3.097 -18.671 226 H ASN 27 H ASN 27 -7.514 -0.191 -21.727 227 HA ASN 27 HA ASN 27 -5.048 -1.506 -20.967 228 HB2 ASN 27 2HB ASN 27 -6.489 -0.963 -23.513 229 HB3 ASN 27 3HB ASN 27 -4.741 -1.164 -23.604 230 HD21 ASN 27 1HD2 ASN 27 -6.283 -2.926 -24.905 231 HD22 ASN 27 2HD2 ASN 27 -6.271 -4.459 -24.109 232 H ILE 28 H ILE 28 -2.965 -0.740 -21.915 233 HA ILE 28 HA ILE 28 -2.617 2.065 -21.279 234 HB ILE 28 HB ILE 28 -1.006 0.415 -20.430 235 HG12 ILE 28 2HG1 ILE 28 1.058 1.607 -21.127 236 HG13 ILE 28 3HG1 ILE 28 0.149 2.380 -22.422 237 HG21 ILE 28 1HG2 ILE 28 0.195 -1.022 -21.716 238 HG22 ILE 28 2HG2 ILE 28 -1.218 -0.856 -22.758 239 HG23 ILE 28 3HG2 ILE 28 0.241 0.076 -23.096 240 HD11 ILE 28 3HD1 ILE 28 0.418 3.877 -20.544 241 HD12 ILE 28 1HD1 ILE 28 -1.282 3.459 -20.759 242 HD13 ILE 28 2HD1 ILE 28 -0.343 2.702 -19.472 243 H GLU 29 H GLU 29 -2.699 0.018 -24.089 244 HA GLU 29 HA GLU 29 -1.446 1.891 -25.858 245 HB2 GLU 29 2HB GLU 29 -2.088 0.380 -27.629 246 HB3 GLU 29 3HB GLU 29 -1.470 -0.554 -26.274 247 HG2 GLU 29 2HG GLU 29 -3.636 -1.258 -25.647 248 HG3 GLU 29 3HG GLU 29 -4.402 -0.094 -26.726 249 H THR 30 H THR 30 -4.652 1.365 -24.673 250 HA THR 30 HA THR 30 -6.138 2.594 -26.718 251 HB THR 30 HB THR 30 -7.884 2.952 -24.989 252 HG1 THR 30 HG1 THR 30 -6.273 1.619 -23.111 253 HG21 THR 30 3HG2 THR 30 -7.797 0.413 -24.196 254 HG22 THR 30 1HG2 THR 30 -6.547 0.337 -25.437 255 HG23 THR 30 2HG2 THR 30 -8.178 0.861 -25.859 256 H PHE 31 H PHE 31 -4.058 3.899 -24.316 257 HA PHE 31 HA PHE 31 -5.198 6.570 -24.501 258 HB2 PHE 31 2HB PHE 31 -2.695 5.732 -23.034 259 HB3 PHE 31 3HB PHE 31 -3.646 7.192 -22.784 260 HD1 PHE 31 HD1 PHE 31 -6.374 5.828 -22.904 261 HD2 PHE 31 HD2 PHE 31 -2.781 4.902 -20.819 262 HE1 PHE 31 HE1 PHE 31 -7.682 4.678 -21.167 263 HE2 PHE 31 HE2 PHE 31 -4.083 3.750 -19.078 264 HZ PHE 31 HZ PHE 31 -6.537 3.636 -19.251 265 H GLU 32 H GLU 32 -4.114 8.363 -25.341 266 HA GLU 32 HA GLU 32 -1.676 7.841 -26.884 267 HB2 GLU 32 2HB GLU 32 -2.606 9.117 -28.796 268 HB3 GLU 32 3HB GLU 32 -3.468 7.615 -28.490 269 HG2 GLU 32 2HG GLU 32 -5.093 9.071 -27.131 270 HG3 GLU 32 3HG GLU 32 -4.351 10.426 -27.979 271 H MET 33 H MET 33 -0.176 9.300 -26.426 272 HA MET 33 HA MET 33 -0.482 11.420 -24.685 273 HB2 MET 33 2HB MET 33 1.696 10.470 -25.272 274 HB3 MET 33 3HB MET 33 1.557 11.124 -26.898 275 HG2 MET 33 2HG MET 33 2.989 12.575 -25.739 276 HG3 MET 33 3HG MET 33 1.439 13.407 -25.840 277 HE1 MET 33 3HE MET 33 4.204 13.431 -23.952 278 HE2 MET 33 1HE MET 33 3.146 14.813 -23.671 279 HE3 MET 33 2HE MET 33 3.653 13.803 -22.318 280 H VAL 34 H VAL 34 -0.745 13.635 -24.899 281 HA VAL 34 HA VAL 34 -1.594 14.595 -27.551 282 HB VAL 34 HB VAL 34 -3.224 16.089 -26.309 283 HG11 VAL 34 1HG1 VAL 34 -4.958 14.432 -26.295 284 HG12 VAL 34 2HG1 VAL 34 -3.850 14.067 -27.619 285 HG13 VAL 34 3HG1 VAL 34 -3.779 13.133 -26.125 286 HG21 VAL 34 3HG2 VAL 34 -3.976 15.322 -24.110 287 HG22 VAL 34 1HG2 VAL 34 -2.702 14.103 -24.099 288 HG23 VAL 34 2HG2 VAL 34 -2.283 15.816 -24.072 289 H GLY 35 H GLY 35 -0.247 15.388 -24.389 290 HA2 GLY 35 2HA GLY 35 1.543 17.301 -25.499 291 HA3 GLY 35 3HA GLY 35 0.206 18.104 -24.689 292 H THR 36 H THR 36 2.266 18.857 -23.502 293 HA THR 36 HA THR 36 2.448 17.261 -21.061 294 HB THR 36 HB THR 36 5.030 18.158 -21.257 295 HG1 THR 36 HG1 THR 36 5.483 18.411 -23.301 296 HG21 THR 36 3HG2 THR 36 5.208 15.608 -22.254 297 HG22 THR 36 1HG2 THR 36 3.622 15.604 -21.485 298 HG23 THR 36 2HG2 THR 36 5.055 16.027 -20.548 299 H LEU 37 H LEU 37 3.111 18.458 -19.207 300 HA LEU 37 HA LEU 37 2.977 21.380 -19.558 301 HB2 LEU 37 2HB LEU 37 0.922 20.352 -18.573 302 HB3 LEU 37 3HB LEU 37 1.907 19.822 -17.211 303 HG LEU 37 HG LEU 37 0.498 21.918 -16.893 304 HD11 LEU 37 1HD1 LEU 37 3.097 22.918 -16.229 305 HD12 LEU 37 2HD1 LEU 37 3.033 21.180 -15.940 306 HD13 LEU 37 3HD1 LEU 37 1.856 22.245 -15.173 307 HD21 LEU 37 3HD2 LEU 37 0.940 23.833 -18.002 308 HD22 LEU 37 1HD2 LEU 37 1.539 22.725 -19.236 309 HD23 LEU 37 2HD2 LEU 37 2.668 23.495 -18.121 310 H SER 38 H SER 38 4.385 22.622 -18.394 311 HA SER 38 HA SER 38 6.077 21.371 -16.379 312 HB2 SER 38 2HB SER 38 7.594 20.950 -18.053 313 HB3 SER 38 3HB SER 38 7.010 22.273 -19.062 314 HG SER 38 HG SER 38 8.833 22.320 -16.932 315 H ASN 39 H ASN 39 6.613 22.741 -14.779 316 HA ASN 39 HA ASN 39 6.899 25.550 -15.118 317 HB2 ASN 39 2HB ASN 39 4.969 26.359 -13.983 318 HB3 ASN 39 3HB ASN 39 4.383 25.240 -15.210 319 HD21 ASN 39 1HD2 ASN 39 4.556 22.838 -14.207 320 HD22 ASN 39 2HD2 ASN 39 3.681 22.679 -12.725 321 H ALA 40 H ALA 40 6.466 26.489 -12.609 322 HA ALA 40 HA ALA 40 8.691 25.687 -11.178 323 HB1 ALA 40 1HB ALA 40 7.468 26.777 -9.197 324 HB2 ALA 40 2HB ALA 40 7.820 27.772 -10.611 325 HB3 ALA 40 3HB ALA 40 6.195 27.133 -10.365 326 H GLN 41 H GLN 41 5.419 24.432 -11.085 327 HA GLN 41 HA GLN 41 5.616 22.941 -8.709 328 HB2 GLN 41 2HB GLN 41 3.740 23.248 -10.861 329 HB3 GLN 41 3HB GLN 41 3.927 21.540 -10.489 330 HG2 GLN 41 2HG GLN 41 3.666 22.459 -8.009 331 HG3 GLN 41 3HG GLN 41 2.785 23.727 -8.859 332 HE21 GLN 41 1HE2 GLN 41 1.181 22.582 -7.306 333 HE22 GLN 41 2HE2 GLN 41 0.211 21.354 -8.039 334 H GLY 42 H GLY 42 6.675 22.304 -11.978 335 HA2 GLY 42 2HA GLY 42 8.684 20.692 -11.805 336 HA3 GLY 42 3HA GLY 42 7.466 19.576 -11.205 337 H THR 43 H THR 43 7.735 18.114 -12.884 338 HA THR 43 HA THR 43 6.916 19.075 -15.548 339 HB THR 43 HB THR 43 8.270 16.439 -15.254 340 HG1 THR 43 HG1 THR 43 9.773 18.846 -15.379 341 HG21 THR 43 3HG2 THR 43 7.624 16.972 -17.453 342 HG22 THR 43 1HG2 THR 43 9.349 17.334 -17.394 343 HG23 THR 43 2HG2 THR 43 8.170 18.642 -17.298 344 H PHE 44 H PHE 44 5.155 18.216 -16.484 345 HA PHE 44 HA PHE 44 4.011 15.756 -15.372 346 HB2 PHE 44 2HB PHE 44 2.330 18.194 -15.966 347 HB3 PHE 44 3HB PHE 44 1.811 16.693 -15.204 348 HD1 PHE 44 HD2 PHE 44 3.779 19.769 -14.738 349 HD2 PHE 44 HD1 PHE 44 2.114 16.319 -12.882 350 HE1 PHE 44 HE2 PHE 44 4.249 20.737 -12.525 351 HE2 PHE 44 HE1 PHE 44 2.580 17.282 -10.666 352 HZ PHE 44 HZ PHE 44 3.650 19.493 -10.486 353 H ALA 45 H ALA 45 2.562 14.649 -16.795 354 HA ALA 45 HA ALA 45 2.954 15.383 -19.623 355 HB1 ALA 45 1HB ALA 45 3.190 12.834 -18.192 356 HB2 ALA 45 2HB ALA 45 2.296 12.748 -19.710 357 HB3 ALA 45 3HB ALA 45 3.945 13.371 -19.693 358 H LEU 46 H LEU 46 1.225 15.080 -21.077 359 HA LEU 46 HA LEU 46 -1.419 14.800 -19.806 360 HB2 LEU 46 2HB LEU 46 -0.981 16.489 -22.234 361 HB3 LEU 46 3HB LEU 46 -2.296 16.545 -21.062 362 HG LEU 46 HG LEU 46 0.513 17.581 -20.716 363 HD11 LEU 46 1HD1 LEU 46 -1.817 19.281 -20.191 364 HD12 LEU 46 2HD1 LEU 46 -1.632 18.779 -21.871 365 HD13 LEU 46 3HD1 LEU 46 -0.321 19.633 -21.057 366 HD21 LEU 46 3HD2 LEU 46 -0.919 18.397 -18.526 367 HD22 LEU 46 1HD2 LEU 46 0.260 17.085 -18.551 368 HD23 LEU 46 2HD2 LEU 46 -1.458 16.731 -18.737 369 H VAL 47 H VAL 47 -2.356 12.994 -20.475 370 HA VAL 47 HA VAL 47 -1.970 12.164 -23.279 371 HB VAL 47 HB VAL 47 -0.954 10.648 -21.522 372 HG11 VAL 47 1HG1 VAL 47 -3.850 10.013 -20.964 373 HG12 VAL 47 2HG1 VAL 47 -2.448 9.178 -20.292 374 HG13 VAL 47 3HG1 VAL 47 -2.759 10.863 -19.869 375 HG21 VAL 47 3HG2 VAL 47 -1.587 8.647 -22.675 376 HG22 VAL 47 1HG2 VAL 47 -3.098 9.377 -23.216 377 HG23 VAL 47 2HG2 VAL 47 -1.560 9.964 -23.848 378 H LYS 48 H LYS 48 -3.765 11.013 -24.256 379 HA LYS 48 HA LYS 48 -6.362 11.795 -23.101 380 HB2 LYS 48 2HB LYS 48 -5.855 13.096 -25.103 381 HB3 LYS 48 3HB LYS 48 -5.566 11.619 -26.013 382 HG2 LYS 48 2HG LYS 48 -7.988 11.017 -25.430 383 HG3 LYS 48 3HG LYS 48 -8.159 12.719 -24.995 384 HD2 LYS 48 2HD LYS 48 -7.740 13.438 -27.185 385 HD3 LYS 48 3HD LYS 48 -7.038 11.888 -27.653 386 HE2 LYS 48 2HE LYS 48 -9.324 10.883 -27.267 387 HE3 LYS 48 3HE LYS 48 -9.932 12.532 -27.134 388 HZ1 LYS 48 3HZ LYS 48 -8.606 12.705 -29.419 389 HZ2 LYS 48 1HZ LYS 48 -10.234 12.253 -29.336 390 HZ3 LYS 48 2HZ LYS 48 -9.035 11.070 -29.482 391 H GLY 49 H GLY 49 -8.009 10.310 -23.089 392 HA2 GLY 49 2HA GLY 49 -8.137 7.952 -24.586 393 HA3 GLY 49 3HA GLY 49 -7.319 7.574 -23.077 394 H ALA 50 H ALA 50 -8.850 6.346 -22.099 395 HA ALA 50 HA ALA 50 -11.590 6.647 -22.154 396 HB1 ALA 50 1HB ALA 50 -10.263 5.760 -19.629 397 HB2 ALA 50 2HB ALA 50 -11.692 5.111 -20.436 398 HB3 ALA 50 3HB ALA 50 -10.087 4.801 -21.100 399 H GLY 51 H GLY 51 -12.835 8.302 -21.593 400 HA2 GLY 51 2HA GLY 51 -13.789 9.699 -19.909 401 HA3 GLY 51 3HA GLY 51 -12.225 9.746 -19.107 402 H GLY 52 H GLY 52 -10.725 10.318 -21.524 403 HA2 GLY 52 2HA GLY 52 -11.145 12.229 -23.210 404 HA3 GLY 52 3HA GLY 52 -11.442 13.163 -21.751 405 H VAL 53 H VAL 53 -9.728 13.787 -20.456 406 HA VAL 53 HA VAL 53 -7.044 13.205 -21.528 407 HB VAL 53 HB VAL 53 -6.448 15.532 -20.626 408 HG11 VAL 53 1HG1 VAL 53 -6.978 16.575 -22.714 409 HG12 VAL 53 2HG1 VAL 53 -6.618 14.876 -23.028 410 HG13 VAL 53 3HG1 VAL 53 -8.291 15.435 -23.008 411 HG21 VAL 53 3HG2 VAL 53 -8.063 17.036 -20.071 412 HG22 VAL 53 1HG2 VAL 53 -9.265 16.303 -21.134 413 HG23 VAL 53 2HG2 VAL 53 -8.896 15.562 -19.577 414 H HIS 54 H HIS 54 -5.469 12.704 -20.088 415 HA HIS 54 HA HIS 54 -6.116 12.901 -17.224 416 HB2 HIS 54 2HB HIS 54 -4.460 10.593 -17.968 417 HB3 HIS 54 3HB HIS 54 -5.815 10.694 -16.848 418 HD1 HIS 54 HD1 HIS 54 -4.944 8.979 -19.760 419 HD2 HIS 54 HD2 HIS 54 -8.355 11.047 -18.597 420 HE1 HIS 54 HE1 HIS 54 -6.792 8.106 -21.225 421 H ARG 55 H ARG 55 -4.586 13.854 -16.050 422 HA ARG 55 HA ARG 55 -1.981 14.342 -17.303 423 HB2 ARG 55 2HB ARG 55 -1.727 16.165 -15.723 424 HB3 ARG 55 3HB ARG 55 -3.275 16.305 -16.545 425 HG2 ARG 55 2HG ARG 55 -4.317 15.190 -14.547 426 HG3 ARG 55 3HG ARG 55 -2.761 15.376 -13.735 427 HD2 ARG 55 2HD ARG 55 -3.297 17.459 -13.188 428 HD3 ARG 55 3HD ARG 55 -3.433 17.871 -14.897 429 HE ARG 55 HE ARG 55 -5.801 16.630 -14.223 430 HH11 ARG 55 1HH1 ARG 55 -4.037 19.458 -13.214 431 HH12 ARG 55 2HH1 ARG 55 -5.458 20.347 -12.774 432 HH21 ARG 55 1HH2 ARG 55 -7.678 17.791 -13.647 433 HH22 ARG 55 2HH2 ARG 55 -7.528 19.397 -13.020 434 H VAL 56 H VAL 56 -0.209 13.347 -16.602 435 HA VAL 56 HA VAL 56 -0.072 12.382 -13.846 436 HB VAL 56 HB VAL 56 0.891 10.201 -14.662 437 HG11 VAL 56 1HG1 VAL 56 -1.968 10.519 -15.521 438 HG12 VAL 56 2HG1 VAL 56 -1.196 9.140 -14.736 439 HG13 VAL 56 3HG1 VAL 56 -1.491 10.622 -13.827 440 HG21 VAL 56 3HG2 VAL 56 0.634 11.460 -17.164 441 HG22 VAL 56 1HG2 VAL 56 1.176 9.815 -16.831 442 HG23 VAL 56 2HG2 VAL 56 -0.529 10.134 -17.150 443 H ARG 57 H ARG 57 1.987 12.289 -13.004 444 HA ARG 57 HA ARG 57 4.156 13.190 -14.784 445 HB2 ARG 57 2HB ARG 57 5.101 14.255 -12.649 446 HB3 ARG 57 3HB ARG 57 3.735 15.050 -13.419 447 HG2 ARG 57 2HG ARG 57 2.299 14.537 -11.726 448 HG3 ARG 57 3HG ARG 57 3.171 13.068 -11.283 449 HD2 ARG 57 2HD ARG 57 4.836 14.281 -10.139 450 HD3 ARG 57 3HD ARG 57 4.330 15.808 -10.862 451 HE ARG 57 HE ARG 57 2.811 16.031 -9.178 452 HH11 ARG 57 1HH1 ARG 57 3.704 12.676 -9.428 453 HH12 ARG 57 2HH1 ARG 57 2.799 12.196 -8.030 454 HH21 ARG 57 1HH2 ARG 57 1.616 15.412 -7.336 455 HH22 ARG 57 2HH2 ARG 57 1.611 13.753 -6.841 456 H VAL 58 H VAL 58 6.358 12.856 -13.489 457 HA VAL 58 HA VAL 58 6.951 10.176 -13.493 458 HB VAL 58 HB VAL 58 8.309 12.273 -11.793 459 HG11 VAL 58 1HG1 VAL 58 10.251 10.552 -12.563 460 HG12 VAL 58 2HG1 VAL 58 9.393 10.454 -11.025 461 HG13 VAL 58 3HG1 VAL 58 8.886 9.450 -12.384 462 HG21 VAL 58 3HG2 VAL 58 8.403 11.634 -14.693 463 HG22 VAL 58 1HG2 VAL 58 8.543 13.187 -13.870 464 HG23 VAL 58 2HG2 VAL 58 9.912 12.076 -13.895 465 H GLY 59 H GLY 59 6.241 8.554 -12.282 466 HA2 GLY 59 2HA GLY 59 6.299 7.514 -10.075 467 HA3 GLY 59 3HA GLY 59 5.785 9.057 -9.408 468 H ASP 60 H ASP 60 3.889 9.300 -11.778 469 HA ASP 60 HA ASP 60 1.617 8.195 -10.455 470 HB2 ASP 60 2HB ASP 60 2.041 9.694 -13.022 471 HB3 ASP 60 3HB ASP 60 0.478 8.962 -12.670 472 H TYR 61 H TYR 61 -0.031 6.890 -11.721 473 HA TYR 61 HA TYR 61 1.274 4.863 -13.403 474 HB2 TYR 61 2HB TYR 61 -0.728 4.211 -11.236 475 HB3 TYR 61 3HB TYR 61 0.172 3.073 -12.232 476 HD1 TYR 61 HD2 TYR 61 0.461 5.537 -9.496 477 HD2 TYR 61 HD1 TYR 61 2.388 2.419 -11.657 478 HE1 TYR 61 HE2 TYR 61 2.234 5.460 -7.793 479 HE2 TYR 61 HE1 TYR 61 4.165 2.333 -9.959 480 HH TYR 61 HH TYR 61 4.963 3.203 -8.082 481 H LEU 62 H LEU 62 0.030 3.995 -15.028 482 HA LEU 62 HA LEU 62 -2.793 4.624 -15.207 483 HB2 LEU 62 2HB LEU 62 -2.283 5.486 -17.628 484 HB3 LEU 62 3HB LEU 62 -2.234 6.576 -16.244 485 HG LEU 62 HG LEU 62 0.258 6.239 -16.198 486 HD11 LEU 62 1HD1 LEU 62 -0.413 4.330 -18.222 487 HD12 LEU 62 2HD1 LEU 62 1.142 4.641 -17.452 488 HD13 LEU 62 3HD1 LEU 62 0.673 5.551 -18.887 489 HD21 LEU 62 3HD2 LEU 62 -1.164 8.091 -17.425 490 HD22 LEU 62 1HD2 LEU 62 -0.459 7.349 -18.862 491 HD23 LEU 62 2HD2 LEU 62 0.589 8.008 -17.606 492 H GLY 63 H GLY 63 -3.897 3.414 -16.819 493 HA2 GLY 63 2HA GLY 63 -4.149 1.730 -18.408 494 HA3 GLY 63 3HA GLY 63 -2.403 1.530 -18.436 495 H ARG 64 H ARG 64 -4.152 -0.635 -18.445 496 HA ARG 64 HA ARG 64 -4.513 -1.685 -15.812 497 HB2 ARG 64 2HB ARG 64 -4.997 -2.581 -18.575 498 HB3 ARG 64 3HB ARG 64 -4.620 -3.872 -17.442 499 HG2 ARG 64 2HG ARG 64 -6.448 -3.179 -16.005 500 HG3 ARG 64 3HG ARG 64 -6.807 -1.833 -17.089 501 HD2 ARG 64 2HD ARG 64 -8.276 -3.850 -17.365 502 HD3 ARG 64 3HD ARG 64 -7.467 -3.304 -18.833 503 HE ARG 64 HE ARG 64 -5.968 -5.314 -17.479 504 HH11 ARG 64 1HH1 ARG 64 -8.687 -4.797 -19.591 505 HH12 ARG 64 2HH1 ARG 64 -8.591 -6.369 -20.314 506 HH21 ARG 64 1HH2 ARG 64 -5.831 -7.386 -18.423 507 HH22 ARG 64 2HH2 ARG 64 -6.967 -7.841 -19.648 508 H ASN 65 H ASN 65 -1.837 -1.393 -17.849 509 HA ASN 65 HA ASN 65 -0.458 -3.721 -16.758 510 HB2 ASN 65 2HB ASN 65 0.530 -1.653 -18.735 511 HB3 ASN 65 3HB ASN 65 1.326 -3.171 -18.329 512 HD21 ASN 65 1HD2 ASN 65 -0.490 -5.042 -18.433 513 HD22 ASN 65 2HD2 ASN 65 -1.267 -5.120 -19.974 514 H ASP 66 H ASP 66 -1.219 -1.191 -15.244 515 HA ASP 66 HA ASP 66 -0.331 0.216 -13.684 516 HB2 ASP 66 2HB ASP 66 1.421 -2.215 -13.548 517 HB3 ASP 66 3HB ASP 66 1.775 -0.819 -12.535 518 H GLY 67 H GLY 67 0.302 1.041 -16.210 519 HA2 GLY 67 2HA GLY 67 3.013 1.396 -16.796 520 HA3 GLY 67 3HA GLY 67 1.717 2.451 -17.338 521 H LYS 68 H LYS 68 4.293 2.004 -15.090 522 HA LYS 68 HA LYS 68 3.615 4.391 -13.571 523 HB2 LYS 68 2HB LYS 68 4.523 2.461 -12.374 524 HB3 LYS 68 3HB LYS 68 5.975 2.511 -13.365 525 HG2 LYS 68 2HG LYS 68 6.260 4.898 -12.449 526 HG3 LYS 68 3HG LYS 68 5.094 4.401 -11.220 527 HD2 LYS 68 2HD LYS 68 7.256 4.006 -10.318 528 HD3 LYS 68 3HD LYS 68 6.591 2.430 -10.754 529 HE2 LYS 68 2HE LYS 68 7.890 2.409 -12.794 530 HE3 LYS 68 3HE LYS 68 8.483 4.037 -12.468 531 HZ1 LYS 68 3HZ LYS 68 10.202 2.957 -11.559 532 HZ2 LYS 68 1HZ LYS 68 9.351 1.506 -11.378 533 HZ3 LYS 68 2HZ LYS 68 9.181 2.735 -10.229 534 H VAL 69 H VAL 69 4.284 6.353 -14.116 535 HA VAL 69 HA VAL 69 5.968 6.813 -16.356 536 HB VAL 69 HB VAL 69 5.094 8.774 -14.231 537 HG11 VAL 69 1HG1 VAL 69 6.207 10.347 -15.338 538 HG12 VAL 69 2HG1 VAL 69 6.942 9.072 -16.311 539 HG13 VAL 69 3HG1 VAL 69 5.467 9.865 -16.864 540 HG21 VAL 69 3HG2 VAL 69 3.796 7.834 -16.771 541 HG22 VAL 69 1HG2 VAL 69 3.116 7.908 -15.146 542 HG23 VAL 69 2HG2 VAL 69 3.408 9.395 -16.048 543 H VAL 70 H VAL 70 8.109 6.874 -16.458 544 HA VAL 70 HA VAL 70 9.624 7.290 -13.962 545 HB VAL 70 HB VAL 70 11.326 5.829 -14.719 546 HG11 VAL 70 1HG1 VAL 70 9.275 4.060 -15.733 547 HG12 VAL 70 2HG1 VAL 70 10.186 3.981 -14.224 548 HG13 VAL 70 3HG1 VAL 70 8.720 4.956 -14.320 549 HG21 VAL 70 3HG2 VAL 70 11.838 5.929 -16.893 550 HG22 VAL 70 1HG2 VAL 70 10.584 4.710 -17.121 551 HG23 VAL 70 2HG2 VAL 70 10.205 6.418 -17.342 552 H GLY 71 H GLY 71 9.028 8.374 -17.148 553 HA2 GLY 71 2HA GLY 71 10.905 10.552 -16.792 554 HA3 GLY 71 3HA GLY 71 11.279 9.476 -18.130 555 H ILE 72 H ILE 72 10.329 12.367 -17.872 556 HA ILE 72 HA ILE 72 8.147 12.131 -19.837 557 HB ILE 72 HB ILE 72 8.413 14.226 -17.678 558 HG12 ILE 72 2HG1 ILE 72 6.172 12.255 -18.136 559 HG13 ILE 72 3HG1 ILE 72 7.518 11.936 -17.047 560 HG21 ILE 72 1HG2 ILE 72 5.937 14.507 -18.877 561 HG22 ILE 72 2HG2 ILE 72 7.331 15.564 -19.093 562 HG23 ILE 72 3HG2 ILE 72 7.037 14.250 -20.231 563 HD11 ILE 72 3HD1 ILE 72 5.122 13.428 -16.588 564 HD12 ILE 72 1HD1 ILE 72 6.373 12.938 -15.446 565 HD13 ILE 72 2HD1 ILE 72 6.533 14.455 -16.332 566 H SER 73 H SER 73 8.386 13.258 -21.678 567 HA SER 73 HA SER 73 10.590 15.210 -21.819 568 HB2 SER 73 2HB SER 73 9.782 13.445 -24.127 569 HB3 SER 73 3HB SER 73 11.257 14.394 -23.940 570 HG SER 73 HG SER 73 10.533 12.156 -22.348 571 H GLU 74 H GLU 74 10.241 16.146 -24.350 572 HA GLU 74 HA GLU 74 7.778 17.666 -24.059 573 HB2 GLU 74 2HB GLU 74 8.694 19.174 -25.686 574 HB3 GLU 74 3HB GLU 74 9.958 18.791 -24.525 575 HG2 GLU 74 2HG GLU 74 10.740 17.037 -26.184 576 HG3 GLU 74 3HG GLU 74 9.662 17.811 -27.344 577 H GLY 75 H GLY 75 8.900 14.965 -25.769 578 HA2 GLY 75 2HA GLY 75 6.460 14.966 -27.384 579 HA3 GLY 75 3HA GLY 75 7.991 14.836 -28.236 580 H LYS 76 H LYS 76 7.981 13.406 -25.148 581 HA LYS 76 HA LYS 76 6.970 10.840 -25.924 582 HB2 LYS 76 2HB LYS 76 9.134 9.642 -25.698 583 HB3 LYS 76 3HB LYS 76 9.073 10.700 -27.102 584 HG2 LYS 76 2HG LYS 76 10.303 12.413 -25.770 585 HG3 LYS 76 3HG LYS 76 10.492 11.205 -24.498 586 HD2 LYS 76 2HD LYS 76 12.485 11.093 -25.734 587 HD3 LYS 76 3HD LYS 76 11.529 9.721 -26.298 588 HE2 LYS 76 2HE LYS 76 10.701 11.406 -28.108 589 HE3 LYS 76 3HE LYS 76 12.163 12.294 -27.682 590 HZ1 LYS 76 3HZ LYS 76 12.874 9.622 -28.007 591 HZ2 LYS 76 1HZ LYS 76 13.295 10.935 -28.988 592 HZ3 LYS 76 2HZ LYS 76 11.906 10.034 -29.332 593 H ILE 77 H ILE 77 6.685 9.468 -24.181 594 HA ILE 77 HA ILE 77 7.606 10.463 -21.568 595 HB ILE 77 HB ILE 77 4.899 9.213 -22.008 596 HG12 ILE 77 2HG1 ILE 77 4.921 11.311 -23.220 597 HG13 ILE 77 3HG1 ILE 77 3.991 11.515 -21.740 598 HG21 ILE 77 1HG2 ILE 77 6.453 9.961 -19.702 599 HG22 ILE 77 2HG2 ILE 77 4.924 10.837 -19.739 600 HG23 ILE 77 3HG2 ILE 77 4.931 9.075 -19.791 601 HD11 ILE 77 3HD1 ILE 77 5.255 13.237 -21.194 602 HD12 ILE 77 1HD1 ILE 77 6.677 12.195 -21.172 603 HD13 ILE 77 2HD1 ILE 77 6.207 13.013 -22.662 604 H ASP 78 H ASP 78 8.976 9.002 -20.798 605 HA ASP 78 HA ASP 78 8.786 6.215 -21.535 606 HB2 ASP 78 2HB ASP 78 10.740 7.893 -20.018 607 HB3 ASP 78 3HB ASP 78 10.766 6.146 -19.788 608 H VAL 79 H VAL 79 7.671 4.733 -20.463 609 HA VAL 79 HA VAL 79 7.316 5.000 -17.570 610 HB VAL 79 HB VAL 79 4.974 4.628 -17.609 611 HG11 VAL 79 1HG1 VAL 79 5.996 6.943 -18.345 612 HG12 VAL 79 2HG1 VAL 79 5.153 6.576 -19.852 613 HG13 VAL 79 3HG1 VAL 79 4.253 6.674 -18.337 614 HG21 VAL 79 3HG2 VAL 79 4.724 3.030 -19.343 615 HG22 VAL 79 1HG2 VAL 79 3.749 4.425 -19.808 616 HG23 VAL 79 2HG2 VAL 79 5.320 4.156 -20.562 617 H ILE 80 H ILE 80 6.880 3.036 -16.485 618 HA ILE 80 HA ILE 80 7.806 0.690 -17.960 619 HB ILE 80 HB ILE 80 7.693 1.429 -15.074 620 HG12 ILE 80 2HG1 ILE 80 9.726 1.698 -16.542 621 HG13 ILE 80 3HG1 ILE 80 9.982 0.734 -15.092 622 HG21 ILE 80 1HG2 ILE 80 7.592 -1.376 -16.147 623 HG22 ILE 80 2HG2 ILE 80 8.247 -0.994 -14.555 624 HG23 ILE 80 3HG2 ILE 80 6.562 -0.631 -14.924 625 HD11 ILE 80 3HD1 ILE 80 9.917 -1.293 -16.359 626 HD12 ILE 80 1HD1 ILE 80 9.456 -0.418 -17.819 627 HD13 ILE 80 2HD1 ILE 80 11.059 -0.185 -17.119 628 H GLU 81 H GLU 81 6.357 -0.640 -18.805 629 HA GLU 81 HA GLU 81 3.747 -0.917 -17.466 630 HB2 GLU 81 2HB GLU 81 4.426 -1.357 -20.379 631 HB3 GLU 81 3HB GLU 81 2.836 -1.557 -19.656 632 HG2 GLU 81 2HG GLU 81 2.491 0.696 -19.446 633 HG3 GLU 81 3HG GLU 81 4.214 1.065 -19.384 634 H ILE 82 H ILE 82 2.908 -2.950 -17.104 635 HA ILE 82 HA ILE 82 4.861 -5.122 -17.182 636 HB ILE 82 HB ILE 82 2.260 -4.772 -15.707 637 HG12 ILE 82 2HG1 ILE 82 3.863 -5.261 -13.763 638 HG13 ILE 82 3HG1 ILE 82 5.162 -5.016 -14.925 639 HG21 ILE 82 1HG2 ILE 82 3.082 -7.068 -14.692 640 HG22 ILE 82 2HG2 ILE 82 2.047 -7.007 -16.118 641 HG23 ILE 82 3HG2 ILE 82 3.784 -7.253 -16.300 642 HD11 ILE 82 3HD1 ILE 82 3.037 -2.956 -14.452 643 HD12 ILE 82 1HD1 ILE 82 4.507 -3.042 -13.481 644 HD13 ILE 82 2HD1 ILE 82 4.613 -2.759 -15.219 645 H VAL 83 H VAL 83 4.684 -6.865 -18.457 646 HA VAL 83 HA VAL 83 2.144 -7.371 -19.836 647 HB VAL 83 HB VAL 83 3.538 -7.940 -21.906 648 HG11 VAL 83 1HG1 VAL 83 2.110 -5.778 -21.276 649 HG12 VAL 83 2HG1 VAL 83 3.688 -5.013 -21.473 650 HG13 VAL 83 3HG1 VAL 83 2.979 -5.930 -22.803 651 HG21 VAL 83 3HG2 VAL 83 5.649 -7.364 -20.238 652 HG22 VAL 83 1HG2 VAL 83 5.723 -7.480 -21.997 653 HG23 VAL 83 2HG2 VAL 83 5.513 -5.908 -21.225 654 HA PRO 84 HA PRO 84 2.876 -11.603 -18.930 655 HB2 PRO 84 2HB PRO 84 1.729 -12.818 -21.070 656 HB3 PRO 84 3HB PRO 84 0.791 -12.031 -19.795 657 HG2 PRO 84 2HG PRO 84 1.557 -10.996 -22.498 658 HG3 PRO 84 3HG PRO 84 0.003 -10.874 -21.652 659 HD2 PRO 84 2HD PRO 84 1.778 -8.831 -21.741 660 HD3 PRO 84 3HD PRO 84 0.707 -9.105 -20.353 661 H ASP 85 H ASP 85 4.183 -13.381 -19.424 662 HA ASP 85 HA ASP 85 6.296 -12.818 -21.350 663 HB2 ASP 85 2HB ASP 85 6.874 -13.493 -19.032 664 HB3 ASP 85 3HB ASP 85 6.093 -15.046 -19.314 665 H GLY 86 H GLY 86 4.095 -15.499 -20.534 666 HA2 GLY 86 2HA GLY 86 3.191 -16.176 -22.986 667 HA3 GLY 86 3HA GLY 86 4.784 -16.917 -22.960 668 H GLU 87 H GLU 87 4.750 -17.556 -20.147 669 HA GLU 87 HA GLU 87 3.025 -19.909 -20.296 670 HB2 GLU 87 2HB GLU 87 4.428 -20.916 -18.696 671 HB3 GLU 87 3HB GLU 87 5.515 -20.029 -19.755 672 HG2 GLU 87 2HG GLU 87 5.397 -18.151 -18.049 673 HG3 GLU 87 3HG GLU 87 4.644 -19.327 -16.973 674 H GLY 88 H GLY 88 3.386 -16.926 -18.572 675 HA2 GLY 88 2HA GLY 88 0.973 -16.501 -17.600 676 HA3 GLY 88 3HA GLY 88 1.507 -17.754 -16.491 677 H ASN 89 H ASN 89 4.317 -16.477 -16.974 678 HA ASN 89 HA ASN 89 4.143 -14.739 -14.662 679 HB2 ASN 89 2HB ASN 89 6.508 -14.869 -14.558 680 HB3 ASN 89 3HB ASN 89 5.971 -16.474 -15.042 681 HD21 ASN 89 1HD2 ASN 89 6.740 -17.324 -16.865 682 HD22 ASN 89 2HD2 ASN 89 7.725 -16.488 -18.012 683 H TRP 90 H TRP 90 4.461 -12.566 -14.624 684 HA TRP 90 HA TRP 90 4.420 -11.209 -17.213 685 HB2 TRP 90 2HB TRP 90 3.967 -10.057 -14.452 686 HB3 TRP 90 3HB TRP 90 3.663 -9.251 -15.989 687 HD1 TRP 90 HD1 TRP 90 2.353 -12.283 -13.965 688 HE1 TRP 90 HE1 TRP 90 -0.129 -12.622 -14.559 689 HE3 TRP 90 HE3 TRP 90 1.889 -8.705 -17.587 690 HZ2 TRP 90 HZ2 TRP 90 -2.030 -11.519 -16.330 691 HZ3 TRP 90 HZ3 TRP 90 -0.294 -8.411 -18.682 692 HH2 TRP 90 HH2 TRP 90 -2.212 -9.791 -18.065 693 H LEU 91 H LEU 91 5.680 -9.186 -17.442 694 HA LEU 91 HA LEU 91 8.096 -9.024 -15.823 695 HB2 LEU 91 2HB LEU 91 8.030 -10.279 -18.371 696 HB3 LEU 91 3HB LEU 91 8.912 -8.762 -18.532 697 HG LEU 91 HG LEU 91 10.477 -10.528 -18.114 698 HD11 LEU 91 1HD1 LEU 91 10.851 -8.331 -17.025 699 HD12 LEU 91 2HD1 LEU 91 11.603 -9.679 -16.173 700 HD13 LEU 91 3HD1 LEU 91 10.108 -8.973 -15.560 701 HD21 LEU 91 3HD2 LEU 91 8.567 -11.855 -16.846 702 HD22 LEU 91 1HD2 LEU 91 9.356 -11.149 -15.435 703 HD23 LEU 91 2HD2 LEU 91 10.277 -12.167 -16.543 704 H GLU 92 H GLU 92 9.343 -7.061 -16.249 705 HA GLU 92 HA GLU 92 7.609 -4.814 -16.634 706 HB2 GLU 92 2HB GLU 92 10.600 -4.952 -16.218 707 HB3 GLU 92 3HB GLU 92 9.651 -3.473 -16.202 708 HG2 GLU 92 2HG GLU 92 8.500 -4.130 -14.236 709 HG3 GLU 92 3HG GLU 92 9.155 -5.764 -14.324 710 H ARG 93 H ARG 93 7.752 -3.201 -18.219 711 HA ARG 93 HA ARG 93 9.471 -3.648 -20.521 712 HB2 ARG 93 2HB ARG 93 7.148 -4.881 -20.706 713 HB3 ARG 93 3HB ARG 93 6.563 -3.269 -21.098 714 HG2 ARG 93 2HG ARG 93 7.029 -4.395 -23.138 715 HG3 ARG 93 3HG ARG 93 8.276 -3.168 -22.907 716 HD2 ARG 93 2HD ARG 93 9.831 -4.843 -22.120 717 HD3 ARG 93 3HD ARG 93 8.581 -6.084 -22.203 718 HE ARG 93 HE ARG 93 8.968 -4.834 -24.726 719 HH11 ARG 93 1HH1 ARG 93 10.342 -7.174 -22.546 720 HH12 ARG 93 2HH1 ARG 93 11.129 -8.074 -23.800 721 HH21 ARG 93 1HH2 ARG 93 9.999 -6.010 -26.387 722 HH22 ARG 93 2HH2 ARG 93 10.934 -7.410 -25.984 723 HA PRO 94 HA PRO 94 9.118 0.799 -19.570 724 HB2 PRO 94 2HB PRO 94 11.607 1.397 -20.473 725 HB3 PRO 94 3HB PRO 94 11.299 0.768 -18.850 726 HG2 PRO 94 2HG PRO 94 12.224 -0.683 -21.300 727 HG3 PRO 94 3HG PRO 94 12.796 -0.833 -19.628 728 HD2 PRO 94 2HD PRO 94 11.078 -2.603 -20.744 729 HD3 PRO 94 3HD PRO 94 11.040 -2.195 -19.017 730 H ARG 95 H ARG 95 7.589 1.261 -21.165 731 HA ARG 95 HA ARG 95 8.564 1.508 -23.922 732 HB2 ARG 95 2HB ARG 95 6.462 0.209 -23.452 733 HB3 ARG 95 3HB ARG 95 5.718 1.716 -22.934 734 HG2 ARG 95 2HG ARG 95 5.418 2.440 -25.035 735 HG3 ARG 95 3HG ARG 95 6.971 1.808 -25.585 736 HD2 ARG 95 2HD ARG 95 5.140 0.658 -26.694 737 HD3 ARG 95 3HD ARG 95 6.023 -0.450 -25.644 738 HE ARG 95 HE ARG 95 3.714 0.764 -24.419 739 HH11 ARG 95 1HH1 ARG 95 4.909 -1.899 -26.317 740 HH12 ARG 95 2HH1 ARG 95 3.607 -2.959 -25.888 741 HH21 ARG 95 1HH2 ARG 95 1.995 -0.622 -23.847 742 HH22 ARG 95 2HH2 ARG 95 1.950 -2.232 -24.483 743 H SER 96 H SER 96 7.958 3.422 -25.153 744 HA SER 96 HA SER 96 7.759 5.822 -23.453 745 HB2 SER 96 2HB SER 96 8.960 6.567 -25.889 746 HB3 SER 96 3HB SER 96 9.728 6.469 -24.305 747 HG SER 96 HG SER 96 9.709 4.596 -26.397 748 H LEU 97 H LEU 97 5.994 6.987 -23.783 749 HA LEU 97 HA LEU 97 4.380 6.512 -26.160 750 HB2 LEU 97 2HB LEU 97 3.637 8.387 -23.953 751 HB3 LEU 97 3HB LEU 97 2.590 7.443 -25.011 752 HG LEU 97 HG LEU 97 4.210 6.433 -22.676 753 HD11 LEU 97 1HD1 LEU 97 2.208 6.153 -21.556 754 HD12 LEU 97 2HD1 LEU 97 1.253 6.188 -23.038 755 HD13 LEU 97 3HD1 LEU 97 1.953 7.678 -22.405 756 HD21 LEU 97 3HD2 LEU 97 2.793 4.998 -24.883 757 HD22 LEU 97 1HD2 LEU 97 2.865 4.292 -23.268 758 HD23 LEU 97 2HD2 LEU 97 4.355 4.651 -24.140 759 H THR 98 H THR 98 5.031 7.645 -27.884 760 HA THR 98 HA THR 98 6.149 10.291 -27.643 761 HB THR 98 HB THR 98 6.471 10.233 -30.013 762 HG1 THR 98 HG1 THR 98 5.096 7.790 -30.278 763 HG21 THR 98 3HG2 THR 98 8.122 8.736 -29.878 764 HG22 THR 98 1HG2 THR 98 6.986 7.395 -29.745 765 HG23 THR 98 2HG2 THR 98 7.474 8.283 -28.302 766 H LEU 99 H LEU 99 5.262 12.213 -28.419 767 HA LEU 99 HA LEU 99 2.598 12.712 -27.916 768 HB2 LEU 99 2HB LEU 99 4.734 14.240 -28.519 769 HB3 LEU 99 3HB LEU 99 3.831 14.362 -30.028 770 HG LEU 99 HG LEU 99 3.252 16.241 -28.696 771 HD11 LEU 99 1HD1 LEU 99 0.926 14.457 -28.155 772 HD12 LEU 99 2HD1 LEU 99 1.421 14.755 -29.821 773 HD13 LEU 99 3HD1 LEU 99 0.962 16.105 -28.783 774 HD21 LEU 99 3HD2 LEU 99 3.516 16.120 -26.492 775 HD22 LEU 99 1HD2 LEU 99 3.495 14.356 -26.526 776 HD23 LEU 99 2HD2 LEU 99 1.981 15.254 -26.420 777 H LYS 100 H LYS 100 0.796 12.119 -28.903 778 HA LYS 100 HA LYS 100 0.917 11.190 -31.673 779 HB2 LYS 100 2HB LYS 100 -0.213 9.967 -29.630 780 HB3 LYS 100 3HB LYS 100 -1.558 11.038 -30.001 781 HG2 LYS 100 2HG LYS 100 -2.043 9.093 -31.175 782 HG3 LYS 100 3HG LYS 100 -1.349 10.162 -32.397 783 HD2 LYS 100 2HD LYS 100 -0.200 8.223 -32.832 784 HD3 LYS 100 3HD LYS 100 0.894 8.994 -31.681 785 HE2 LYS 100 2HE LYS 100 -0.314 7.691 -29.875 786 HE3 LYS 100 3HE LYS 100 -1.080 6.779 -31.175 787 HZ1 LYS 100 3HZ LYS 100 1.784 6.972 -31.413 788 HZ2 LYS 100 1HZ LYS 100 0.775 5.621 -31.548 789 HZ3 LYS 100 2HZ LYS 100 1.276 6.153 -30.023 790 H GLU 101 H GLU 101 -0.482 11.953 -33.285 791 HA GLU 101 HA GLU 101 -2.086 14.319 -32.696 792 HB2 GLU 101 2HB GLU 101 0.373 14.273 -34.373 793 HB3 GLU 101 3HB GLU 101 -0.981 15.241 -34.939 794 HG2 GLU 101 2HG GLU 101 0.097 15.511 -32.157 795 HG3 GLU 101 3HG GLU 101 0.790 16.390 -33.517 796 H ARG 102 H ARG 102 -3.229 15.051 -34.799 797 HA ARG 102 HA ARG 102 -4.534 12.706 -35.878 798 HB2 ARG 102 2HB ARG 102 -5.797 14.730 -35.146 799 HB3 ARG 102 3HB ARG 102 -5.064 15.621 -36.474 800 HG2 ARG 102 2HG ARG 102 -7.330 14.885 -37.005 801 HG3 ARG 102 3HG ARG 102 -6.136 14.158 -38.082 802 HD2 ARG 102 2HD ARG 102 -6.398 12.063 -37.182 803 HD3 ARG 102 3HD ARG 102 -6.927 12.685 -35.619 804 HE ARG 102 HE ARG 102 -8.951 13.394 -37.242 805 HH11 ARG 102 1HH1 ARG 102 -7.283 10.380 -36.744 806 HH12 ARG 102 2HH1 ARG 102 -8.663 9.403 -37.125 807 HH21 ARG 102 1HH2 ARG 102 -10.774 12.120 -37.746 808 HH22 ARG 102 2HH2 ARG 102 -10.648 10.394 -37.696 809 H SER 103 H SER 103 -2.974 11.773 -37.215 810 HA SER 103 HA SER 103 -2.798 12.958 -39.848 811 HB2 SER 103 2HB SER 103 -0.440 13.074 -40.012 812 HB3 SER 103 3HB SER 103 -0.823 13.835 -38.468 813 HG SER 103 HG SER 103 0.858 12.393 -38.157 814 H LEU 104 H LEU 104 -2.707 11.445 -41.424 815 HA LEU 104 HA LEU 104 -2.507 8.643 -40.552 816 HB2 LEU 104 2HB LEU 104 -3.977 9.960 -42.814 817 HB3 LEU 104 3HB LEU 104 -3.688 8.222 -42.779 818 HG LEU 104 HG LEU 104 -4.888 8.238 -40.526 819 HD11 LEU 104 1HD1 LEU 104 -5.183 10.332 -39.749 820 HD12 LEU 104 2HD1 LEU 104 -6.639 10.268 -40.741 821 HD13 LEU 104 3HD1 LEU 104 -5.184 11.049 -41.360 822 HD21 LEU 104 3HD2 LEU 104 -6.961 7.881 -41.552 823 HD22 LEU 104 1HD2 LEU 104 -5.781 7.508 -42.808 824 HD23 LEU 104 2HD2 LEU 104 -6.633 9.052 -42.830 825 H GLU 105 H GLU 105 -0.091 9.637 -40.800 826 HA GLU 105 HA GLU 105 0.937 9.486 -43.481 827 HB2 GLU 105 2HB GLU 105 2.072 9.981 -40.774 828 HB3 GLU 105 3HB GLU 105 3.168 9.409 -42.023 829 HG2 GLU 105 2HG GLU 105 2.964 11.319 -43.276 830 HG3 GLU 105 3HG GLU 105 1.378 11.712 -42.615 831 H HIS 106 H HIS 106 -0.014 7.299 -43.830 832 HA HIS 106 HA HIS 106 1.066 5.036 -42.487 833 HB2 HIS 106 2HB HIS 106 -1.120 5.055 -43.697 834 HB3 HIS 106 3HB HIS 106 -0.233 5.132 -45.216 835 HD1 HIS 106 HD1 HIS 106 -1.121 2.805 -42.432 836 HD2 HIS 106 HD2 HIS 106 0.969 2.734 -46.022 837 HE1 HIS 106 HE1 HIS 106 -0.711 0.373 -42.923 838 H HIS 107 H HIS 107 1.470 5.993 -45.901 839 HA HIS 107 HA HIS 107 4.157 4.794 -45.816 840 HB2 HIS 107 2HB HIS 107 3.968 4.370 -48.166 841 HB3 HIS 107 3HB HIS 107 2.483 3.800 -47.410 842 HD1 HIS 107 HD1 HIS 107 0.360 5.411 -47.705 843 HD2 HIS 107 HD2 HIS 107 3.620 6.215 -50.152 844 HE1 HIS 107 HE1 HIS 107 -0.526 6.878 -49.545 845 H HIS 108 H HIS 108 5.912 5.897 -46.688 846 HA HIS 108 HA HIS 108 5.579 8.795 -46.781 847 HB2 HIS 108 2HB HIS 108 8.062 7.072 -46.666 848 HB3 HIS 108 3HB HIS 108 8.069 8.833 -46.685 849 HD1 HIS 108 HD1 HIS 108 6.443 9.836 -44.599 850 HD2 HIS 108 HD2 HIS 108 8.230 6.112 -44.156 851 HE1 HIS 108 HE1 HIS 108 6.461 9.389 -42.124 852 H HIS 109 H HIS 109 7.435 9.767 -48.352 853 HA HIS 109 HA HIS 109 7.108 8.490 -50.982 854 HB2 HIS 109 2HB HIS 109 6.852 11.454 -50.428 855 HB3 HIS 109 3HB HIS 109 6.733 10.680 -52.006 856 HD1 HIS 109 HD1 HIS 109 4.451 10.015 -52.729 857 HD2 HIS 109 HD2 HIS 109 4.675 10.629 -48.626 858 HE1 HIS 109 HE1 HIS 109 2.089 9.811 -51.889 859 H HIS 110 H HIS 110 9.339 8.471 -49.107 860 HA HIS 110 HA HIS 110 11.330 10.105 -50.514 861 HB2 HIS 110 2HB HIS 110 11.089 10.080 -47.943 862 HB3 HIS 110 3HB HIS 110 11.854 8.496 -48.025 863 HD1 HIS 110 HD1 HIS 110 14.109 8.870 -49.925 864 HD2 HIS 110 HD2 HIS 110 13.022 11.803 -47.191 865 HE1 HIS 110 HE1 HIS 110 16.154 10.302 -49.627 866 H HIS 111 H HIS 111 11.846 8.982 -52.330 867 HA HIS 111 HA HIS 111 12.130 6.163 -52.442 868 HB2 HIS 111 2HB HIS 111 13.336 8.196 -54.327 869 HB3 HIS 111 3HB HIS 111 12.989 6.504 -54.671 870 HD1 HIS 111 HD1 HIS 111 10.467 5.859 -54.990 871 HD2 HIS 111 HD2 HIS 111 11.199 9.932 -54.614 872 HE1 HIS 111 HE1 HIS 111 8.359 6.996 -55.760 Start of MODEL 17 1 H1 ASP 1 H ASP 1 17.620 3.324 -30.137 2 HA ASP 1 HA ASP 1 15.856 4.516 -28.238 3 HB2 ASP 1 2HB ASP 1 14.043 2.773 -28.514 4 HB3 ASP 1 3HB ASP 1 14.111 3.999 -29.777 5 H LEU 2 H LEU 2 15.065 2.690 -26.651 6 HA LEU 2 HA LEU 2 17.261 0.755 -26.320 7 HB2 LEU 2 2HB LEU 2 16.092 2.701 -24.403 8 HB3 LEU 2 3HB LEU 2 16.594 1.130 -23.782 9 HG LEU 2 HG LEU 2 18.334 2.794 -23.452 10 HD11 LEU 2 1HD1 LEU 2 19.475 1.156 -25.640 11 HD12 LEU 2 2HD1 LEU 2 18.711 0.302 -24.300 12 HD13 LEU 2 3HD1 LEU 2 20.048 1.409 -23.991 13 HD21 LEU 2 3HD2 LEU 2 17.588 4.096 -25.551 14 HD22 LEU 2 1HD2 LEU 2 18.676 3.013 -26.420 15 HD23 LEU 2 2HD2 LEU 2 19.304 4.057 -25.144 16 H THR 3 H THR 3 16.424 -1.192 -26.675 17 HA THR 3 HA THR 3 13.693 -1.767 -25.765 18 HB THR 3 HB THR 3 14.224 -3.958 -27.151 19 HG1 THR 3 HG1 THR 3 16.088 -3.805 -28.130 20 HG21 THR 3 3HG2 THR 3 12.535 -2.988 -28.243 21 HG22 THR 3 1HG2 THR 3 13.743 -2.158 -29.223 22 HG23 THR 3 2HG2 THR 3 13.083 -1.375 -27.787 23 H VAL 4 H VAL 4 13.289 -3.935 -24.851 24 HA VAL 4 HA VAL 4 15.594 -5.042 -23.403 25 HB VAL 4 HB VAL 4 14.058 -5.352 -21.410 26 HG11 VAL 4 1HG1 VAL 4 15.517 -3.772 -20.786 27 HG12 VAL 4 2HG1 VAL 4 15.402 -2.925 -22.329 28 HG13 VAL 4 3HG1 VAL 4 14.196 -2.641 -21.074 29 HG21 VAL 4 3HG2 VAL 4 12.149 -4.349 -23.164 30 HG22 VAL 4 1HG2 VAL 4 11.957 -4.615 -21.431 31 HG23 VAL 4 2HG2 VAL 4 12.447 -3.031 -22.032 32 H ARG 5 H ARG 5 15.341 -7.231 -22.713 33 HA ARG 5 HA ARG 5 13.108 -8.679 -23.959 34 HB2 ARG 5 2HB ARG 5 16.040 -9.388 -24.137 35 HB3 ARG 5 3HB ARG 5 14.735 -10.474 -24.596 36 HG2 ARG 5 2HG ARG 5 15.297 -9.587 -26.625 37 HG3 ARG 5 3HG ARG 5 14.015 -8.480 -26.126 38 HD2 ARG 5 2HD ARG 5 15.468 -6.757 -25.733 39 HD3 ARG 5 3HD ARG 5 16.808 -7.834 -25.343 40 HE ARG 5 HE ARG 5 17.423 -7.790 -27.542 41 HH11 ARG 5 1HH1 ARG 5 14.129 -6.696 -27.273 42 HH12 ARG 5 2HH1 ARG 5 14.008 -6.238 -28.940 43 HH21 ARG 5 1HH2 ARG 5 17.277 -7.190 -29.738 44 HH22 ARG 5 2HH2 ARG 5 15.799 -6.520 -30.341 45 H GLN 6 H GLN 6 12.305 -8.629 -21.740 46 HA GLN 6 HA GLN 6 13.426 -10.847 -20.180 47 HB2 GLN 6 2HB GLN 6 14.212 -8.803 -19.116 48 HB3 GLN 6 3HB GLN 6 12.572 -8.171 -19.065 49 HG2 GLN 6 2HG GLN 6 11.988 -10.160 -17.624 50 HG3 GLN 6 3HG GLN 6 13.720 -10.465 -17.509 51 HE21 GLN 6 1HE2 GLN 6 15.052 -8.776 -16.597 52 HE22 GLN 6 2HE2 GLN 6 14.385 -7.718 -15.405 53 H LYS 7 H LYS 7 11.948 -12.290 -19.564 54 HA LYS 7 HA LYS 7 9.145 -11.469 -19.330 55 HB2 LYS 7 2HB LYS 7 10.003 -13.929 -20.861 56 HB3 LYS 7 3HB LYS 7 8.363 -13.330 -20.655 57 HG2 LYS 7 2HG LYS 7 10.504 -11.752 -22.050 58 HG3 LYS 7 3HG LYS 7 9.445 -12.889 -22.888 59 HD2 LYS 7 2HD LYS 7 7.491 -11.626 -22.120 60 HD3 LYS 7 3HD LYS 7 8.553 -10.490 -21.286 61 HE2 LYS 7 2HE LYS 7 7.986 -9.458 -23.329 62 HE3 LYS 7 3HE LYS 7 9.630 -10.058 -23.536 63 HZ1 LYS 7 3HZ LYS 7 8.946 -11.195 -25.289 64 HZ2 LYS 7 1HZ LYS 7 7.361 -10.643 -25.071 65 HZ3 LYS 7 2HZ LYS 7 7.868 -12.075 -24.327 66 H GLY 8 H GLY 8 8.509 -12.018 -17.356 67 HA2 GLY 8 2HA GLY 8 8.888 -14.710 -16.388 68 HA3 GLY 8 3HA GLY 8 9.789 -13.504 -15.482 69 H ASN 9 H ASN 9 6.607 -14.682 -16.327 70 HA ASN 9 HA ASN 9 5.498 -13.975 -13.840 71 HB2 ASN 9 2HB ASN 9 5.691 -11.715 -15.138 72 HB3 ASN 9 3HB ASN 9 4.290 -12.310 -16.024 73 HD21 ASN 9 1HD2 ASN 9 5.411 -10.833 -13.190 74 HD22 ASN 9 2HD2 ASN 9 3.907 -10.767 -12.342 75 H LYS 10 H LYS 10 3.295 -14.645 -13.618 76 HA LYS 10 HA LYS 10 1.736 -15.639 -15.745 77 HB2 LYS 10 2HB LYS 10 3.589 -17.336 -15.742 78 HB3 LYS 10 3HB LYS 10 3.092 -17.794 -14.118 79 HG2 LYS 10 2HG LYS 10 0.752 -18.100 -15.278 80 HG3 LYS 10 3HG LYS 10 1.748 -18.277 -16.724 81 HD2 LYS 10 2HD LYS 10 3.024 -20.056 -15.617 82 HD3 LYS 10 3HD LYS 10 2.012 -19.883 -14.181 83 HE2 LYS 10 2HE LYS 10 0.086 -20.251 -15.976 84 HE3 LYS 10 3HE LYS 10 1.387 -21.086 -16.823 85 HZ1 LYS 10 3HZ LYS 10 0.736 -22.813 -15.578 86 HZ2 LYS 10 1HZ LYS 10 -0.043 -21.847 -14.428 87 HZ3 LYS 10 2HZ LYS 10 1.631 -22.074 -14.347 88 H VAL 11 H VAL 11 -0.190 -15.150 -14.933 89 HA VAL 11 HA VAL 11 -1.029 -16.339 -12.422 90 HB VAL 11 HB VAL 11 -1.961 -14.173 -11.585 91 HG11 VAL 11 1HG1 VAL 11 1.041 -14.311 -11.852 92 HG12 VAL 11 2HG1 VAL 11 0.154 -13.372 -10.650 93 HG13 VAL 11 3HG1 VAL 11 0.069 -15.134 -10.633 94 HG21 VAL 11 3HG2 VAL 11 -0.016 -12.781 -13.385 95 HG22 VAL 11 1HG2 VAL 11 -1.661 -13.111 -13.927 96 HG23 VAL 11 2HG2 VAL 11 -1.386 -12.117 -12.496 97 H ILE 12 H ILE 12 -3.427 -15.395 -12.004 98 HA ILE 12 HA ILE 12 -5.065 -16.501 -13.931 99 HB ILE 12 HB ILE 12 -5.792 -14.301 -11.993 100 HG12 ILE 12 2HG1 ILE 12 -6.222 -17.268 -11.661 101 HG13 ILE 12 3HG1 ILE 12 -4.774 -16.457 -11.073 102 HG21 ILE 12 1HG2 ILE 12 -8.035 -15.785 -12.313 103 HG22 ILE 12 2HG2 ILE 12 -7.690 -14.300 -13.198 104 HG23 ILE 12 3HG2 ILE 12 -7.346 -15.864 -13.934 105 HD11 ILE 12 3HD1 ILE 12 -6.713 -14.896 -10.010 106 HD12 ILE 12 1HD1 ILE 12 -7.495 -16.476 -9.998 107 HD13 ILE 12 2HD1 ILE 12 -5.946 -16.252 -9.183 108 H LYS 13 H LYS 13 -6.081 -15.804 -15.737 109 HA LYS 13 HA LYS 13 -5.069 -13.502 -17.069 110 HB2 LYS 13 2HB LYS 13 -6.806 -14.084 -18.796 111 HB3 LYS 13 3HB LYS 13 -5.680 -15.378 -18.408 112 HG2 LYS 13 2HG LYS 13 -7.282 -16.608 -17.272 113 HG3 LYS 13 3HG LYS 13 -8.324 -15.205 -17.024 114 HD2 LYS 13 2HD LYS 13 -9.335 -16.590 -18.693 115 HD3 LYS 13 3HD LYS 13 -8.705 -15.148 -19.493 116 HE2 LYS 13 2HE LYS 13 -6.909 -16.318 -20.433 117 HE3 LYS 13 3HE LYS 13 -7.088 -17.669 -19.314 118 HZ1 LYS 13 3HZ LYS 13 -7.893 -18.265 -21.495 119 HZ2 LYS 13 1HZ LYS 13 -8.963 -16.955 -21.504 120 HZ3 LYS 13 2HZ LYS 13 -9.188 -18.222 -20.407 121 HA PRO 14 HA PRO 14 -7.888 -10.357 -15.870 122 HB2 PRO 14 2HB PRO 14 -8.108 -8.929 -18.168 123 HB3 PRO 14 3HB PRO 14 -6.653 -8.916 -17.165 124 HG2 PRO 14 2HG PRO 14 -7.219 -10.467 -19.662 125 HG3 PRO 14 3HG PRO 14 -5.743 -9.605 -19.191 126 HD2 PRO 14 2HD PRO 14 -6.001 -12.290 -18.953 127 HD3 PRO 14 3HD PRO 14 -5.024 -11.321 -17.830 128 H ASP 15 H ASP 15 -9.854 -9.068 -17.069 129 HA ASP 15 HA ASP 15 -11.695 -11.149 -18.055 130 HB2 ASP 15 2HB ASP 15 -12.081 -9.037 -15.968 131 HB3 ASP 15 3HB ASP 15 -13.462 -9.563 -16.926 132 H GLU 16 H GLU 16 -11.592 -10.681 -20.210 133 HA GLU 16 HA GLU 16 -11.995 -7.923 -21.082 134 HB2 GLU 16 2HB GLU 16 -11.298 -10.443 -22.593 135 HB3 GLU 16 3HB GLU 16 -11.582 -8.891 -23.368 136 HG2 GLU 16 2HG GLU 16 -9.746 -8.075 -21.679 137 HG3 GLU 16 3HG GLU 16 -9.304 -9.781 -21.679 138 H THR 17 H THR 17 -14.189 -9.121 -19.804 139 HA THR 17 HA THR 17 -16.069 -9.452 -22.051 140 HB THR 17 HB THR 17 -16.066 -11.521 -20.892 141 HG1 THR 17 HG1 THR 17 -18.244 -10.321 -19.589 142 HG21 THR 17 3HG2 THR 17 -15.178 -11.493 -18.830 143 HG22 THR 17 1HG2 THR 17 -16.814 -11.137 -18.281 144 HG23 THR 17 2HG2 THR 17 -15.667 -9.824 -18.544 145 H ARG 18 H ARG 18 -15.410 -7.921 -18.979 146 HA ARG 18 HA ARG 18 -17.612 -6.053 -19.497 147 HB2 ARG 18 2HB ARG 18 -17.002 -7.042 -16.718 148 HB3 ARG 18 3HB ARG 18 -18.390 -6.108 -17.258 149 HG2 ARG 18 2HG ARG 18 -19.236 -8.014 -18.487 150 HG3 ARG 18 3HG ARG 18 -17.809 -8.955 -18.047 151 HD2 ARG 18 2HD ARG 18 -18.658 -8.162 -15.606 152 HD3 ARG 18 3HD ARG 18 -20.195 -8.270 -16.464 153 HE ARG 18 HE ARG 18 -18.472 -10.449 -15.699 154 HH11 ARG 18 1HH1 ARG 18 -21.022 -9.396 -17.822 155 HH12 ARG 18 2HH1 ARG 18 -21.613 -10.998 -18.120 156 HH21 ARG 18 1HH2 ARG 18 -19.240 -12.562 -16.083 157 HH22 ARG 18 2HH2 ARG 18 -20.599 -12.798 -17.130 158 H VAL 19 H VAL 19 -17.344 -3.966 -18.519 159 HA VAL 19 HA VAL 19 -14.694 -3.372 -17.431 160 HB VAL 19 HB VAL 19 -14.508 -3.006 -19.860 161 HG11 VAL 19 1HG1 VAL 19 -17.104 -2.090 -19.672 162 HG12 VAL 19 2HG1 VAL 19 -16.167 -0.622 -19.957 163 HG13 VAL 19 3HG1 VAL 19 -16.058 -1.972 -21.087 164 HG21 VAL 19 3HG2 VAL 19 -13.299 -1.073 -19.658 165 HG22 VAL 19 1HG2 VAL 19 -14.546 -0.262 -18.710 166 HG23 VAL 19 2HG2 VAL 19 -13.511 -1.474 -17.954 167 H LYS 20 H LYS 20 -14.781 -1.956 -15.805 168 HA LYS 20 HA LYS 20 -17.321 -0.556 -15.337 169 HB2 LYS 20 2HB LYS 20 -15.160 -0.815 -13.277 170 HB3 LYS 20 3HB LYS 20 -16.896 -0.647 -13.048 171 HG2 LYS 20 2HG LYS 20 -15.416 -3.094 -13.984 172 HG3 LYS 20 3HG LYS 20 -16.247 -2.867 -12.443 173 HD2 LYS 20 2HD LYS 20 -17.546 -2.900 -15.168 174 HD3 LYS 20 3HD LYS 20 -17.586 -4.211 -13.987 175 HE2 LYS 20 2HE LYS 20 -18.549 -2.326 -12.424 176 HE3 LYS 20 3HE LYS 20 -18.980 -1.576 -13.960 177 HZ1 LYS 20 3HZ LYS 20 -20.059 -3.959 -12.693 178 HZ2 LYS 20 1HZ LYS 20 -19.861 -4.041 -14.371 179 HZ3 LYS 20 2HZ LYS 20 -20.818 -2.824 -13.692 180 H GLN 21 H GLN 21 -14.440 0.061 -16.701 181 HA GLN 21 HA GLN 21 -14.329 2.821 -15.678 182 HB2 GLN 21 2HB GLN 21 -12.244 0.881 -16.419 183 HB3 GLN 21 3HB GLN 21 -11.987 2.504 -17.045 184 HG2 GLN 21 2HG GLN 21 -12.721 2.270 -14.191 185 HG3 GLN 21 3HG GLN 21 -11.115 1.713 -14.659 186 HE21 GLN 21 1HE2 GLN 21 -13.207 4.427 -15.593 187 HE22 GLN 21 2HE2 GLN 21 -12.015 5.652 -15.342 188 H PHE 22 H PHE 22 -13.177 4.257 -17.485 189 HA PHE 22 HA PHE 22 -14.733 3.842 -19.952 190 HB2 PHE 22 2HB PHE 22 -15.582 5.791 -18.918 191 HB3 PHE 22 3HB PHE 22 -13.973 6.360 -18.484 192 HD1 PHE 22 HD2 PHE 22 -12.553 7.446 -20.118 193 HD2 PHE 22 HD1 PHE 22 -16.460 6.100 -21.141 194 HE1 PHE 22 HE2 PHE 22 -12.482 8.806 -22.167 195 HE2 PHE 22 HE1 PHE 22 -16.394 7.457 -23.193 196 HZ PHE 22 HZ PHE 22 -14.404 8.814 -23.707 197 H LEU 23 H LEU 23 -11.613 4.411 -18.590 198 HA LEU 23 HA LEU 23 -10.432 4.925 -21.217 199 HB2 LEU 23 2HB LEU 23 -8.892 4.775 -18.657 200 HB3 LEU 23 3HB LEU 23 -8.523 5.678 -20.125 201 HG LEU 23 HG LEU 23 -10.978 6.543 -18.785 202 HD11 LEU 23 1HD1 LEU 23 -8.362 7.108 -17.414 203 HD12 LEU 23 2HD1 LEU 23 -9.493 5.872 -16.865 204 HD13 LEU 23 3HD1 LEU 23 -9.984 7.566 -16.896 205 HD21 LEU 23 3HD2 LEU 23 -9.865 7.692 -20.681 206 HD22 LEU 23 1HD2 LEU 23 -8.497 8.036 -19.623 207 HD23 LEU 23 2HD2 LEU 23 -10.082 8.722 -19.266 208 H GLU 24 H GLU 24 -10.614 2.503 -18.709 209 HA GLU 24 HA GLU 24 -8.485 0.869 -19.641 210 HB2 GLU 24 2HB GLU 24 -10.714 0.592 -17.703 211 HB3 GLU 24 3HB GLU 24 -10.039 -0.901 -18.342 212 HG2 GLU 24 2HG GLU 24 -7.861 -0.340 -17.532 213 HG3 GLU 24 3HG GLU 24 -8.400 1.270 -17.060 214 H GLY 25 H GLY 25 -11.354 1.638 -21.080 215 HA2 GLY 25 2HA GLY 25 -11.900 -0.984 -22.219 216 HA3 GLY 25 3HA GLY 25 -12.799 0.495 -22.525 217 H PHE 26 H PHE 26 -9.955 1.709 -22.961 218 HA PHE 26 HA PHE 26 -9.879 1.014 -25.811 219 HB2 PHE 26 2HB PHE 26 -8.670 3.396 -24.390 220 HB3 PHE 26 3HB PHE 26 -8.711 3.137 -26.131 221 HD1 PHE 26 HD1 PHE 26 -11.005 2.976 -27.244 222 HD2 PHE 26 HD2 PHE 26 -10.401 4.515 -23.322 223 HE1 PHE 26 HE1 PHE 26 -13.174 4.130 -27.367 224 HE2 PHE 26 HE2 PHE 26 -12.569 5.671 -23.438 225 HZ PHE 26 HZ PHE 26 -13.960 5.479 -25.462 226 H ASN 27 H ASN 27 -7.434 1.674 -26.610 227 HA ASN 27 HA ASN 27 -5.791 -0.400 -25.416 228 HB2 ASN 27 2HB ASN 27 -5.911 0.999 -27.998 229 HB3 ASN 27 3HB ASN 27 -4.275 0.678 -27.429 230 HD21 ASN 27 1HD2 ASN 27 -3.605 -0.980 -28.608 231 HD22 ASN 27 2HD2 ASN 27 -4.435 -2.486 -28.783 232 H ILE 28 H ILE 28 -3.477 -0.001 -25.006 233 HA ILE 28 HA ILE 28 -3.159 2.409 -23.429 234 HB ILE 28 HB ILE 28 -2.409 0.214 -22.560 235 HG12 ILE 28 2HG1 ILE 28 -0.216 0.992 -21.729 236 HG13 ILE 28 3HG1 ILE 28 -0.202 2.247 -22.963 237 HG21 ILE 28 1HG2 ILE 28 -0.090 0.354 -24.452 238 HG22 ILE 28 2HG2 ILE 28 -0.647 -1.003 -23.474 239 HG23 ILE 28 3HG2 ILE 28 -1.572 -0.497 -24.887 240 HD11 ILE 28 3HD1 ILE 28 -1.122 2.517 -20.401 241 HD12 ILE 28 1HD1 ILE 28 -1.494 3.589 -21.750 242 HD13 ILE 28 2HD1 ILE 28 -2.605 2.286 -21.327 243 H GLU 29 H GLU 29 -1.970 1.058 -26.426 244 HA GLU 29 HA GLU 29 0.154 2.956 -26.751 245 HB2 GLU 29 2HB GLU 29 0.470 1.990 -28.920 246 HB3 GLU 29 3HB GLU 29 0.129 0.683 -27.795 247 HG2 GLU 29 2HG GLU 29 -2.122 0.502 -28.591 248 HG3 GLU 29 3HG GLU 29 -1.926 1.934 -29.600 249 H THR 30 H THR 30 -3.225 2.832 -27.530 250 HA THR 30 HA THR 30 -3.334 4.745 -29.575 251 HB THR 30 HB THR 30 -5.704 5.118 -28.810 252 HG1 THR 30 HG1 THR 30 -6.228 4.460 -26.875 253 HG21 THR 30 3HG2 THR 30 -4.672 2.330 -29.288 254 HG22 THR 30 1HG2 THR 30 -5.368 3.450 -30.458 255 HG23 THR 30 2HG2 THR 30 -6.393 2.709 -29.228 256 H PHE 31 H PHE 31 -2.796 5.073 -26.186 257 HA PHE 31 HA PHE 31 -3.557 7.849 -26.047 258 HB2 PHE 31 2HB PHE 31 -1.947 6.212 -24.077 259 HB3 PHE 31 3HB PHE 31 -2.715 7.765 -23.765 260 HD1 PHE 31 HD1 PHE 31 -5.278 7.055 -25.354 261 HD2 PHE 31 HD2 PHE 31 -3.073 5.058 -22.310 262 HE1 PHE 31 HE1 PHE 31 -7.326 5.898 -24.635 263 HE2 PHE 31 HE2 PHE 31 -5.118 3.897 -21.586 264 HZ PHE 31 HZ PHE 31 -7.248 4.315 -22.750 265 H GLU 32 H GLU 32 -2.055 9.569 -25.492 266 HA GLU 32 HA GLU 32 0.728 9.121 -26.258 267 HB2 GLU 32 2HB GLU 32 0.729 11.017 -27.800 268 HB3 GLU 32 3HB GLU 32 -0.401 9.780 -28.331 269 HG2 GLU 32 2HG GLU 32 -2.174 11.181 -27.097 270 HG3 GLU 32 3HG GLU 32 -0.970 12.468 -27.154 271 H MET 33 H MET 33 2.089 10.174 -24.960 272 HA MET 33 HA MET 33 1.274 11.560 -22.701 273 HB2 MET 33 2HB MET 33 3.490 10.545 -22.923 274 HB3 MET 33 3HB MET 33 3.927 11.735 -24.141 275 HG2 MET 33 2HG MET 33 3.434 13.475 -22.318 276 HG3 MET 33 3HG MET 33 3.526 12.115 -21.203 277 HE1 MET 33 3HE MET 33 4.995 14.162 -20.451 278 HE2 MET 33 1HE MET 33 6.171 12.990 -19.854 279 HE3 MET 33 2HE MET 33 6.701 14.334 -20.866 280 H VAL 34 H VAL 34 0.255 13.441 -22.570 281 HA VAL 34 HA VAL 34 0.598 15.438 -24.670 282 HB VAL 34 HB VAL 34 -1.688 14.904 -23.992 283 HG11 VAL 34 1HG1 VAL 34 -1.569 14.244 -21.760 284 HG12 VAL 34 2HG1 VAL 34 -0.683 15.693 -21.280 285 HG13 VAL 34 3HG1 VAL 34 -2.396 15.800 -21.687 286 HG21 VAL 34 3HG2 VAL 34 -0.605 17.425 -24.314 287 HG22 VAL 34 1HG2 VAL 34 -2.317 17.008 -24.386 288 HG23 VAL 34 2HG2 VAL 34 -1.613 17.585 -22.875 289 H GLY 35 H GLY 35 1.581 14.803 -21.434 290 HA2 GLY 35 2HA GLY 35 3.519 16.752 -21.295 291 HA3 GLY 35 3HA GLY 35 2.070 17.508 -20.648 292 H THR 36 H THR 36 3.749 17.568 -18.805 293 HA THR 36 HA THR 36 3.035 15.422 -16.971 294 HB THR 36 HB THR 36 5.554 15.495 -16.205 295 HG1 THR 36 HG1 THR 36 6.934 15.704 -18.039 296 HG21 THR 36 3HG2 THR 36 6.018 13.568 -17.763 297 HG22 THR 36 1HG2 THR 36 4.472 13.918 -18.536 298 HG23 THR 36 2HG2 THR 36 4.522 13.443 -16.839 299 H LEU 37 H LEU 37 3.068 16.022 -14.811 300 HA LEU 37 HA LEU 37 3.621 18.872 -14.306 301 HB2 LEU 37 2HB LEU 37 1.218 18.190 -14.239 302 HB3 LEU 37 3HB LEU 37 1.612 17.136 -12.882 303 HG LEU 37 HG LEU 37 0.547 19.384 -12.347 304 HD11 LEU 37 1HD1 LEU 37 2.470 17.842 -11.017 305 HD12 LEU 37 2HD1 LEU 37 1.326 18.984 -10.311 306 HD13 LEU 37 3HD1 LEU 37 2.940 19.525 -10.771 307 HD21 LEU 37 3HD2 LEU 37 2.402 20.422 -13.995 308 HD22 LEU 37 1HD2 LEU 37 3.223 20.618 -12.446 309 HD23 LEU 37 2HD2 LEU 37 1.630 21.333 -12.696 310 H SER 38 H SER 38 4.769 19.435 -12.505 311 HA SER 38 HA SER 38 5.527 17.355 -10.599 312 HB2 SER 38 2HB SER 38 7.464 17.073 -11.767 313 HB3 SER 38 3HB SER 38 7.344 18.650 -12.549 314 HG SER 38 HG SER 38 8.898 19.088 -11.176 315 H ASN 39 H ASN 39 5.561 18.094 -8.571 316 HA ASN 39 HA ASN 39 6.389 20.706 -7.836 317 HB2 ASN 39 2HB ASN 39 4.329 21.712 -7.196 318 HB3 ASN 39 3HB ASN 39 4.101 21.138 -8.846 319 HD21 ASN 39 1HD2 ASN 39 3.384 18.681 -8.792 320 HD22 ASN 39 2HD2 ASN 39 2.013 18.384 -7.783 321 H ALA 40 H ALA 40 5.153 21.070 -5.446 322 HA ALA 40 HA ALA 40 6.465 19.360 -3.719 323 HB1 ALA 40 1HB ALA 40 4.682 20.191 -2.030 324 HB2 ALA 40 2HB ALA 40 5.788 21.355 -2.762 325 HB3 ALA 40 3HB ALA 40 4.138 21.205 -3.367 326 H GLN 41 H GLN 41 3.230 19.089 -5.075 327 HA GLN 41 HA GLN 41 2.292 17.005 -3.435 328 HB2 GLN 41 2HB GLN 41 1.468 18.316 -5.911 329 HB3 GLN 41 3HB GLN 41 1.050 16.608 -5.872 330 HG2 GLN 41 2HG GLN 41 0.215 17.314 -3.432 331 HG3 GLN 41 3HG GLN 41 0.016 18.854 -4.265 332 HE21 GLN 41 1HE2 GLN 41 -1.652 19.123 -5.632 333 HE22 GLN 41 2HE2 GLN 41 -2.818 17.904 -6.005 334 H GLY 42 H GLY 42 4.312 17.029 -6.294 335 HA2 GLY 42 2HA GLY 42 5.818 14.927 -6.125 336 HA3 GLY 42 3HA GLY 42 4.290 14.089 -6.358 337 H THR 43 H THR 43 5.274 13.164 -8.260 338 HA THR 43 HA THR 43 5.358 15.037 -10.535 339 HB THR 43 HB THR 43 6.627 12.328 -10.670 340 HG1 THR 43 HG1 THR 43 7.909 14.654 -9.631 341 HG21 THR 43 3HG2 THR 43 7.884 13.236 -12.403 342 HG22 THR 43 1HG2 THR 43 7.652 14.890 -11.839 343 HG23 THR 43 2HG2 THR 43 6.321 14.026 -12.608 344 H PHE 44 H PHE 44 3.419 14.941 -11.495 345 HA PHE 44 HA PHE 44 2.134 12.327 -11.843 346 HB2 PHE 44 2HB PHE 44 0.942 15.057 -12.352 347 HB3 PHE 44 3HB PHE 44 0.084 13.522 -12.254 348 HD1 PHE 44 HD1 PHE 44 1.922 16.056 -10.312 349 HD2 PHE 44 HD2 PHE 44 -0.567 12.606 -10.170 350 HE1 PHE 44 HE1 PHE 44 1.566 16.416 -7.904 351 HE2 PHE 44 HE2 PHE 44 -0.928 12.961 -7.763 352 HZ PHE 44 HZ PHE 44 0.139 14.868 -6.626 353 H ALA 45 H ALA 45 1.162 11.812 -13.912 354 HA ALA 45 HA ALA 45 2.671 12.979 -16.159 355 HB1 ALA 45 1HB ALA 45 3.398 10.810 -16.163 356 HB2 ALA 45 2HB ALA 45 1.878 10.181 -15.526 357 HB3 ALA 45 3HB ALA 45 1.992 10.667 -17.218 358 H LEU 46 H LEU 46 1.579 13.812 -17.842 359 HA LEU 46 HA LEU 46 -1.355 13.620 -17.775 360 HB2 LEU 46 2HB LEU 46 0.158 15.676 -19.333 361 HB3 LEU 46 3HB LEU 46 -1.489 15.744 -18.708 362 HG LEU 46 HG LEU 46 1.066 16.031 -17.131 363 HD11 LEU 46 1HD1 LEU 46 -0.101 17.917 -18.608 364 HD12 LEU 46 2HD1 LEU 46 0.673 18.260 -17.061 365 HD13 LEU 46 3HD1 LEU 46 -1.078 18.070 -17.147 366 HD21 LEU 46 3HD2 LEU 46 -0.173 15.085 -15.497 367 HD22 LEU 46 1HD2 LEU 46 -1.702 15.426 -16.307 368 HD23 LEU 46 2HD2 LEU 46 -0.882 16.698 -15.402 369 H VAL 47 H VAL 47 -2.161 12.227 -19.190 370 HA VAL 47 HA VAL 47 -0.851 11.979 -21.821 371 HB VAL 47 HB VAL 47 -0.761 9.932 -20.341 372 HG11 VAL 47 1HG1 VAL 47 -2.604 8.903 -19.570 373 HG12 VAL 47 2HG1 VAL 47 -3.367 10.475 -19.816 374 HG13 VAL 47 3HG1 VAL 47 -3.521 9.217 -21.043 375 HG21 VAL 47 3HG2 VAL 47 -1.144 8.422 -22.145 376 HG22 VAL 47 1HG2 VAL 47 -2.288 9.528 -22.906 377 HG23 VAL 47 2HG2 VAL 47 -0.574 9.937 -22.845 378 H LYS 48 H LYS 48 -2.266 11.482 -23.626 379 HA LYS 48 HA LYS 48 -5.002 12.505 -23.234 380 HB2 LYS 48 2HB LYS 48 -3.621 14.119 -24.447 381 HB3 LYS 48 3HB LYS 48 -3.189 12.885 -25.624 382 HG2 LYS 48 2HG LYS 48 -5.663 12.706 -26.136 383 HG3 LYS 48 3HG LYS 48 -5.860 14.184 -25.190 384 HD2 LYS 48 2HD LYS 48 -3.883 14.991 -26.778 385 HD3 LYS 48 3HD LYS 48 -4.589 13.772 -27.841 386 HE2 LYS 48 2HE LYS 48 -6.766 14.858 -27.650 387 HE3 LYS 48 3HE LYS 48 -6.080 16.060 -26.558 388 HZ1 LYS 48 3HZ LYS 48 -4.868 17.030 -28.259 389 HZ2 LYS 48 1HZ LYS 48 -6.330 16.650 -29.022 390 HZ3 LYS 48 2HZ LYS 48 -4.971 15.674 -29.265 391 H GLY 49 H GLY 49 -6.673 11.462 -24.269 392 HA2 GLY 49 2HA GLY 49 -6.523 9.662 -26.368 393 HA3 GLY 49 3HA GLY 49 -6.273 8.719 -24.907 394 H ALA 50 H ALA 50 -8.373 7.989 -26.314 395 HA ALA 50 HA ALA 50 -10.643 7.742 -26.362 396 HB1 ALA 50 1HB ALA 50 -10.303 8.525 -23.469 397 HB2 ALA 50 2HB ALA 50 -11.734 7.757 -24.159 398 HB3 ALA 50 3HB ALA 50 -10.196 6.895 -24.135 399 H GLY 51 H GLY 51 -9.552 10.428 -26.990 400 HA2 GLY 51 2HA GLY 51 -10.471 12.430 -27.659 401 HA3 GLY 51 3HA GLY 51 -12.040 11.805 -27.176 402 H GLY 52 H GLY 52 -9.195 12.186 -25.115 403 HA2 GLY 52 2HA GLY 52 -9.993 14.649 -23.955 404 HA3 GLY 52 3HA GLY 52 -10.565 13.308 -22.974 405 H VAL 53 H VAL 53 -9.050 14.664 -21.509 406 HA VAL 53 HA VAL 53 -6.293 13.665 -21.784 407 HB VAL 53 HB VAL 53 -5.771 15.492 -20.077 408 HG11 VAL 53 1HG1 VAL 53 -5.227 15.569 -22.507 409 HG12 VAL 53 2HG1 VAL 53 -6.748 16.423 -22.772 410 HG13 VAL 53 3HG1 VAL 53 -5.486 17.154 -21.779 411 HG21 VAL 53 3HG2 VAL 53 -7.326 17.382 -20.014 412 HG22 VAL 53 1HG2 VAL 53 -8.479 16.464 -20.983 413 HG23 VAL 53 2HG2 VAL 53 -8.063 15.921 -19.357 414 H HIS 54 H HIS 54 -5.336 12.561 -20.127 415 HA HIS 54 HA HIS 54 -6.997 12.012 -17.757 416 HB2 HIS 54 2HB HIS 54 -5.117 9.923 -18.748 417 HB3 HIS 54 3HB HIS 54 -6.646 9.743 -17.892 418 HD1 HIS 54 HD1 HIS 54 -5.496 8.581 -20.813 419 HD2 HIS 54 HD2 HIS 54 -8.635 11.188 -20.029 420 HE1 HIS 54 HE1 HIS 54 -7.012 8.429 -22.814 421 H ARG 55 H ARG 55 -6.035 12.317 -15.848 422 HA ARG 55 HA ARG 55 -3.141 12.843 -15.846 423 HB2 ARG 55 2HB ARG 55 -5.342 13.786 -14.006 424 HB3 ARG 55 3HB ARG 55 -3.633 14.030 -13.672 425 HG2 ARG 55 2HG ARG 55 -3.670 15.088 -16.090 426 HG3 ARG 55 3HG ARG 55 -5.375 15.319 -15.697 427 HD2 ARG 55 2HD ARG 55 -4.908 16.732 -13.922 428 HD3 ARG 55 3HD ARG 55 -3.265 16.120 -13.738 429 HE ARG 55 HE ARG 55 -2.565 17.688 -15.241 430 HH11 ARG 55 1HH1 ARG 55 -6.006 17.279 -15.570 431 HH12 ARG 55 2HH1 ARG 55 -6.185 18.584 -16.695 432 HH21 ARG 55 1HH2 ARG 55 -2.787 19.408 -16.722 433 HH22 ARG 55 2HH2 ARG 55 -4.353 19.794 -17.351 434 H VAL 56 H VAL 56 -1.940 11.233 -15.101 435 HA VAL 56 HA VAL 56 -2.782 9.821 -12.684 436 HB VAL 56 HB VAL 56 -1.983 7.647 -13.732 437 HG11 VAL 56 1HG1 VAL 56 -4.440 8.623 -15.124 438 HG12 VAL 56 2HG1 VAL 56 -4.133 7.069 -14.345 439 HG13 VAL 56 3HG1 VAL 56 -4.413 8.509 -13.364 440 HG21 VAL 56 3HG2 VAL 56 -2.747 8.592 -16.401 441 HG22 VAL 56 1HG2 VAL 56 -1.214 9.232 -15.807 442 HG23 VAL 56 2HG2 VAL 56 -1.461 7.489 -15.911 443 H ARG 57 H ARG 57 -1.100 9.070 -11.416 444 HA ARG 57 HA ARG 57 1.597 9.860 -12.302 445 HB2 ARG 57 2HB ARG 57 2.052 10.022 -9.786 446 HB3 ARG 57 3HB ARG 57 1.069 11.285 -10.513 447 HG2 ARG 57 2HG ARG 57 -0.843 10.599 -9.463 448 HG3 ARG 57 3HG ARG 57 -0.299 8.926 -9.330 449 HD2 ARG 57 2HD ARG 57 1.091 11.107 -7.822 450 HD3 ARG 57 3HD ARG 57 -0.400 10.400 -7.202 451 HE ARG 57 HE ARG 57 1.266 8.283 -7.807 452 HH11 ARG 57 1HH1 ARG 57 1.317 11.046 -5.691 453 HH12 ARG 57 2HH1 ARG 57 2.299 10.273 -4.491 454 HH21 ARG 57 1HH2 ARG 57 2.559 7.254 -6.235 455 HH22 ARG 57 2HH2 ARG 57 3.005 8.116 -4.802 456 H VAL 58 H VAL 58 3.282 8.679 -10.755 457 HA VAL 58 HA VAL 58 3.456 6.050 -11.537 458 HB VAL 58 HB VAL 58 5.386 7.182 -10.653 459 HG11 VAL 58 1HG1 VAL 58 3.622 7.931 -8.571 460 HG12 VAL 58 2HG1 VAL 58 4.961 7.043 -7.842 461 HG13 VAL 58 3HG1 VAL 58 5.282 8.460 -8.842 462 HG21 VAL 58 3HG2 VAL 58 4.849 5.002 -8.665 463 HG22 VAL 58 1HG2 VAL 58 5.061 4.648 -10.380 464 HG23 VAL 58 2HG2 VAL 58 6.360 5.420 -9.472 465 H GLY 59 H GLY 59 2.219 4.350 -11.112 466 HA2 GLY 59 2HA GLY 59 1.597 2.775 -9.298 467 HA3 GLY 59 3HA GLY 59 0.968 4.174 -8.439 468 H ASP 60 H ASP 60 -0.223 5.389 -10.784 469 HA ASP 60 HA ASP 60 -2.751 4.101 -10.692 470 HB2 ASP 60 2HB ASP 60 -1.614 6.422 -12.208 471 HB3 ASP 60 3HB ASP 60 -3.184 5.770 -12.669 472 H TYR 61 H TYR 61 -3.954 3.668 -12.839 473 HA TYR 61 HA TYR 61 -2.211 2.210 -14.704 474 HB2 TYR 61 2HB TYR 61 -4.871 1.135 -13.772 475 HB3 TYR 61 3HB TYR 61 -3.634 0.301 -14.707 476 HD1 TYR 61 HD1 TYR 61 -4.511 1.578 -11.358 477 HD2 TYR 61 HD2 TYR 61 -1.788 -0.769 -13.635 478 HE1 TYR 61 HE1 TYR 61 -3.555 0.680 -9.278 479 HE2 TYR 61 HE2 TYR 61 -0.825 -1.674 -11.560 480 HH TYR 61 HH TYR 61 -1.194 -0.343 -8.629 481 H LEU 62 H LEU 62 -2.957 2.057 -16.835 482 HA LEU 62 HA LEU 62 -5.480 3.260 -17.575 483 HB2 LEU 62 2HB LEU 62 -3.273 4.908 -17.412 484 HB3 LEU 62 3HB LEU 62 -3.337 4.479 -19.120 485 HG LEU 62 HG LEU 62 -5.872 5.187 -18.831 486 HD11 LEU 62 1HD1 LEU 62 -4.926 7.334 -17.124 487 HD12 LEU 62 2HD1 LEU 62 -4.923 5.771 -16.307 488 HD13 LEU 62 3HD1 LEU 62 -6.409 6.384 -17.033 489 HD21 LEU 62 3HD2 LEU 62 -4.888 7.643 -19.216 490 HD22 LEU 62 1HD2 LEU 62 -4.828 6.381 -20.446 491 HD23 LEU 62 2HD2 LEU 62 -3.411 6.706 -19.448 492 H GLY 63 H GLY 63 -6.139 2.740 -19.672 493 HA2 GLY 63 2HA GLY 63 -5.909 1.797 -21.814 494 HA3 GLY 63 3HA GLY 63 -4.308 1.228 -21.368 495 H ARG 64 H ARG 64 -6.085 -0.406 -22.706 496 HA ARG 64 HA ARG 64 -7.597 -2.064 -20.968 497 HB2 ARG 64 2HB ARG 64 -6.839 -2.046 -23.806 498 HB3 ARG 64 3HB ARG 64 -7.045 -3.656 -23.129 499 HG2 ARG 64 2HG ARG 64 -9.295 -3.080 -22.403 500 HG3 ARG 64 3HG ARG 64 -9.090 -1.448 -23.041 501 HD2 ARG 64 2HD ARG 64 -9.054 -2.200 -25.261 502 HD3 ARG 64 3HD ARG 64 -8.754 -3.869 -24.780 503 HE ARG 64 HE ARG 64 -11.225 -3.061 -23.732 504 HH11 ARG 64 1HH1 ARG 64 -9.721 -3.746 -26.797 505 HH12 ARG 64 2HH1 ARG 64 -11.196 -4.246 -27.556 506 HH21 ARG 64 1HH2 ARG 64 -13.173 -3.717 -24.721 507 HH22 ARG 64 2HH2 ARG 64 -13.159 -4.228 -26.374 508 H ASN 65 H ASN 65 -4.257 -1.949 -21.861 509 HA ASN 65 HA ASN 65 -3.685 -4.643 -20.982 510 HB2 ASN 65 2HB ASN 65 -1.771 -2.401 -21.664 511 HB3 ASN 65 3HB ASN 65 -1.362 -4.104 -21.486 512 HD21 ASN 65 1HD2 ASN 65 -3.466 -5.275 -22.825 513 HD22 ASN 65 2HD2 ASN 65 -3.369 -4.869 -24.502 514 H ASP 66 H ASP 66 -4.513 -1.989 -19.341 515 HA ASP 66 HA ASP 66 -4.317 -1.318 -17.176 516 HB2 ASP 66 2HB ASP 66 -4.566 -3.808 -16.805 517 HB3 ASP 66 3HB ASP 66 -2.810 -3.890 -16.690 518 H GLY 67 H GLY 67 -2.466 -0.280 -18.926 519 HA2 GLY 67 2HA GLY 67 0.224 -0.534 -18.280 520 HA3 GLY 67 3HA GLY 67 -0.514 0.929 -18.916 521 H LYS 68 H LYS 68 0.912 -0.562 -16.214 522 HA LYS 68 HA LYS 68 -0.090 1.389 -14.307 523 HB2 LYS 68 2HB LYS 68 0.222 -0.918 -13.566 524 HB3 LYS 68 3HB LYS 68 1.925 -0.845 -13.999 525 HG2 LYS 68 2HG LYS 68 2.048 1.107 -12.328 526 HG3 LYS 68 3HG LYS 68 0.499 0.500 -11.738 527 HD2 LYS 68 2HD LYS 68 2.185 -0.499 -10.396 528 HD3 LYS 68 3HD LYS 68 1.601 -1.752 -11.493 529 HE2 LYS 68 2HE LYS 68 3.517 -1.421 -12.938 530 HE3 LYS 68 3HE LYS 68 4.079 -0.087 -11.930 531 HZ1 LYS 68 3HZ LYS 68 4.663 -2.790 -11.654 532 HZ2 LYS 68 1HZ LYS 68 3.694 -2.373 -10.331 533 HZ3 LYS 68 2HZ LYS 68 5.125 -1.523 -10.632 534 H VAL 69 H VAL 69 0.843 3.287 -13.964 535 HA VAL 69 HA VAL 69 3.191 4.107 -15.309 536 HB VAL 69 HB VAL 69 1.881 5.440 -12.935 537 HG11 VAL 69 1HG1 VAL 69 4.261 6.040 -14.196 538 HG12 VAL 69 2HG1 VAL 69 3.102 7.130 -14.958 539 HG13 VAL 69 3HG1 VAL 69 3.301 7.139 -13.206 540 HG21 VAL 69 3HG2 VAL 69 1.203 5.406 -15.844 541 HG22 VAL 69 1HG2 VAL 69 0.137 5.330 -14.441 542 HG23 VAL 69 2HG2 VAL 69 0.894 6.858 -14.892 543 H VAL 70 H VAL 70 5.266 3.928 -14.773 544 HA VAL 70 HA VAL 70 5.943 3.279 -11.978 545 HB VAL 70 HB VAL 70 7.768 1.878 -12.755 546 HG11 VAL 70 1HG1 VAL 70 4.975 1.319 -13.557 547 HG12 VAL 70 2HG1 VAL 70 6.219 0.230 -14.175 548 HG13 VAL 70 3HG1 VAL 70 6.029 0.457 -12.436 549 HG21 VAL 70 3HG2 VAL 70 8.294 3.040 -14.827 550 HG22 VAL 70 1HG2 VAL 70 8.021 1.325 -15.134 551 HG23 VAL 70 2HG2 VAL 70 6.770 2.503 -15.534 552 H GLY 71 H GLY 71 6.806 4.971 -14.920 553 HA2 GLY 71 2HA GLY 71 8.648 6.631 -13.336 554 HA3 GLY 71 3HA GLY 71 9.195 5.958 -14.865 555 H ILE 72 H ILE 72 8.754 8.770 -13.901 556 HA ILE 72 HA ILE 72 7.259 9.656 -16.257 557 HB ILE 72 HB ILE 72 6.790 10.734 -13.475 558 HG12 ILE 72 2HG1 ILE 72 4.865 9.381 -15.376 559 HG13 ILE 72 3HG1 ILE 72 5.665 8.567 -14.036 560 HG21 ILE 72 1HG2 ILE 72 6.493 11.958 -16.051 561 HG22 ILE 72 2HG2 ILE 72 4.916 11.772 -15.286 562 HG23 ILE 72 3HG2 ILE 72 6.203 12.640 -14.451 563 HD11 ILE 72 3HD1 ILE 72 3.656 10.794 -13.897 564 HD12 ILE 72 1HD1 ILE 72 3.479 9.135 -13.327 565 HD13 ILE 72 2HD1 ILE 72 4.591 10.235 -12.511 566 H SER 73 H SER 73 8.604 10.871 -17.395 567 HA SER 73 HA SER 73 10.506 12.600 -15.951 568 HB2 SER 73 2HB SER 73 10.786 11.084 -18.539 569 HB3 SER 73 3HB SER 73 11.826 12.458 -18.163 570 HG SER 73 HG SER 73 11.634 9.965 -16.870 571 H GLU 74 H GLU 74 11.348 14.308 -17.779 572 HA GLU 74 HA GLU 74 8.955 15.857 -18.386 573 HB2 GLU 74 2HB GLU 74 10.588 17.693 -18.850 574 HB3 GLU 74 3HB GLU 74 10.667 17.056 -17.213 575 HG2 GLU 74 2HG GLU 74 12.624 15.738 -17.803 576 HG3 GLU 74 3HG GLU 74 12.537 16.336 -19.458 577 H GLY 75 H GLY 75 8.725 13.959 -20.085 578 HA2 GLY 75 2HA GLY 75 8.533 14.881 -22.580 579 HA3 GLY 75 3HA GLY 75 10.238 14.459 -22.521 580 H LYS 76 H LYS 76 9.328 12.243 -20.557 581 HA LYS 76 HA LYS 76 8.030 10.420 -22.431 582 HB2 LYS 76 2HB LYS 76 9.766 8.685 -22.038 583 HB3 LYS 76 3HB LYS 76 10.367 10.079 -22.926 584 HG2 LYS 76 2HG LYS 76 11.050 10.889 -20.511 585 HG3 LYS 76 3HG LYS 76 11.006 9.156 -20.178 586 HD2 LYS 76 2HD LYS 76 13.228 9.623 -20.813 587 HD3 LYS 76 3HD LYS 76 12.481 8.875 -22.227 588 HE2 LYS 76 2HE LYS 76 13.698 10.716 -23.051 589 HE3 LYS 76 3HE LYS 76 12.011 11.227 -23.047 590 HZ1 LYS 76 3HZ LYS 76 13.344 11.833 -20.589 591 HZ2 LYS 76 1HZ LYS 76 12.453 12.846 -21.610 592 HZ3 LYS 76 2HZ LYS 76 14.094 12.568 -21.916 593 H ILE 77 H ILE 77 6.963 8.703 -21.457 594 HA ILE 77 HA ILE 77 6.958 8.704 -18.510 595 HB ILE 77 HB ILE 77 4.560 8.282 -20.297 596 HG12 ILE 77 2HG1 ILE 77 5.306 10.635 -20.218 597 HG13 ILE 77 3HG1 ILE 77 3.754 10.413 -19.417 598 HG21 ILE 77 1HG2 ILE 77 4.251 6.961 -18.374 599 HG22 ILE 77 2HG2 ILE 77 4.928 8.198 -17.317 600 HG23 ILE 77 3HG2 ILE 77 3.352 8.447 -18.068 601 HD11 ILE 77 3HD1 ILE 77 4.585 11.432 -17.645 602 HD12 ILE 77 1HD1 ILE 77 5.709 10.089 -17.436 603 HD13 ILE 77 2HD1 ILE 77 6.184 11.497 -18.385 604 H ASP 78 H ASP 78 7.726 6.845 -17.775 605 HA ASP 78 HA ASP 78 7.617 4.451 -19.423 606 HB2 ASP 78 2HB ASP 78 9.088 5.256 -16.943 607 HB3 ASP 78 3HB ASP 78 8.892 3.543 -17.305 608 H VAL 79 H VAL 79 6.114 2.936 -19.222 609 HA VAL 79 HA VAL 79 4.814 2.518 -16.633 610 HB VAL 79 HB VAL 79 2.597 2.520 -17.540 611 HG11 VAL 79 1HG1 VAL 79 3.653 5.017 -18.761 612 HG12 VAL 79 2HG1 VAL 79 2.291 4.782 -17.664 613 HG13 VAL 79 3HG1 VAL 79 3.942 4.739 -17.044 614 HG21 VAL 79 3HG2 VAL 79 4.005 2.797 -20.167 615 HG22 VAL 79 1HG2 VAL 79 2.742 1.662 -19.690 616 HG23 VAL 79 2HG2 VAL 79 2.342 3.355 -19.980 617 H ILE 80 H ILE 80 3.881 0.447 -16.369 618 HA ILE 80 HA ILE 80 5.021 -1.560 -18.174 619 HB ILE 80 HB ILE 80 4.167 -1.604 -15.312 620 HG12 ILE 80 2HG1 ILE 80 6.540 -1.211 -16.069 621 HG13 ILE 80 3HG1 ILE 80 6.332 -2.565 -14.964 622 HG21 ILE 80 1HG2 ILE 80 2.932 -3.456 -16.080 623 HG22 ILE 80 2HG2 ILE 80 4.224 -3.968 -17.165 624 HG23 ILE 80 3HG2 ILE 80 4.424 -4.126 -15.420 625 HD11 ILE 80 3HD1 ILE 80 7.882 -3.014 -16.840 626 HD12 ILE 80 1HD1 ILE 80 6.523 -4.134 -16.756 627 HD13 ILE 80 2HD1 ILE 80 6.524 -2.837 -17.952 628 H GLU 81 H GLU 81 3.744 -2.391 -19.678 629 HA GLU 81 HA GLU 81 0.845 -2.474 -19.191 630 HB2 GLU 81 2HB GLU 81 2.213 -2.759 -21.863 631 HB3 GLU 81 3HB GLU 81 0.516 -2.422 -21.549 632 HG2 GLU 81 2HG GLU 81 1.032 -0.224 -20.757 633 HG3 GLU 81 3HG GLU 81 2.762 -0.552 -20.840 634 H ILE 82 H ILE 82 -0.346 -4.342 -19.790 635 HA ILE 82 HA ILE 82 1.195 -6.802 -19.473 636 HB ILE 82 HB ILE 82 -1.801 -6.420 -19.448 637 HG12 ILE 82 2HG1 ILE 82 -0.745 -5.221 -17.598 638 HG13 ILE 82 3HG1 ILE 82 -1.600 -6.639 -17.000 639 HG21 ILE 82 1HG2 ILE 82 -0.296 -8.742 -19.737 640 HG22 ILE 82 2HG2 ILE 82 -0.772 -8.720 -18.040 641 HG23 ILE 82 3HG2 ILE 82 -2.001 -8.630 -19.302 642 HD11 ILE 82 3HD1 ILE 82 1.363 -6.519 -17.502 643 HD12 ILE 82 1HD1 ILE 82 0.595 -6.276 -15.934 644 HD13 ILE 82 2HD1 ILE 82 0.464 -7.835 -16.748 645 H VAL 83 H VAL 83 1.615 -8.133 -21.105 646 HA VAL 83 HA VAL 83 -0.080 -8.013 -23.508 647 HB VAL 83 HB VAL 83 1.965 -6.792 -24.009 648 HG11 VAL 83 1HG1 VAL 83 3.534 -9.302 -23.497 649 HG12 VAL 83 2HG1 VAL 83 4.133 -7.665 -23.770 650 HG13 VAL 83 3HG1 VAL 83 3.313 -8.066 -22.260 651 HG21 VAL 83 3HG2 VAL 83 1.010 -8.026 -25.829 652 HG22 VAL 83 1HG2 VAL 83 2.764 -8.176 -25.923 653 HG23 VAL 83 2HG2 VAL 83 1.797 -9.512 -25.300 654 HA PRO 84 HA PRO 84 -0.300 -12.386 -22.879 655 HB2 PRO 84 2HB PRO 84 -1.420 -13.025 -25.268 656 HB3 PRO 84 3HB PRO 84 -2.329 -12.273 -23.952 657 HG2 PRO 84 2HG PRO 84 -1.120 -11.011 -26.383 658 HG3 PRO 84 3HG PRO 84 -2.706 -10.723 -25.644 659 HD2 PRO 84 2HD PRO 84 -0.598 -9.066 -25.264 660 HD3 PRO 84 3HD PRO 84 -1.837 -9.335 -24.021 661 H ASP 85 H ASP 85 0.750 -14.266 -23.526 662 HA ASP 85 HA ASP 85 3.130 -13.847 -25.130 663 HB2 ASP 85 2HB ASP 85 2.219 -15.822 -23.134 664 HB3 ASP 85 3HB ASP 85 3.241 -16.466 -24.416 665 H GLY 86 H GLY 86 0.447 -16.201 -25.092 666 HA2 GLY 86 2HA GLY 86 -0.357 -16.184 -27.652 667 HA3 GLY 86 3HA GLY 86 1.140 -17.097 -27.764 668 H GLU 87 H GLU 87 0.512 -18.084 -24.923 669 HA GLU 87 HA GLU 87 -1.251 -20.264 -25.803 670 HB2 GLU 87 2HB GLU 87 0.526 -20.333 -23.376 671 HB3 GLU 87 3HB GLU 87 -0.164 -21.685 -24.263 672 HG2 GLU 87 2HG GLU 87 1.938 -19.822 -25.342 673 HG3 GLU 87 3HG GLU 87 2.259 -21.400 -24.625 674 H GLY 88 H GLY 88 -0.901 -17.701 -23.502 675 HA2 GLY 88 2HA GLY 88 -3.362 -17.196 -22.745 676 HA3 GLY 88 3HA GLY 88 -3.124 -18.707 -21.880 677 H ASN 89 H ASN 89 -0.156 -17.671 -21.757 678 HA ASN 89 HA ASN 89 -0.509 -16.433 -19.152 679 HB2 ASN 89 2HB ASN 89 1.822 -16.854 -18.801 680 HB3 ASN 89 3HB ASN 89 1.144 -18.290 -19.562 681 HD21 ASN 89 1HD2 ASN 89 1.679 -18.772 -21.690 682 HD22 ASN 89 2HD2 ASN 89 3.029 -18.042 -22.484 683 H TRP 90 H TRP 90 0.020 -14.371 -18.624 684 HA TRP 90 HA TRP 90 0.594 -12.567 -20.858 685 HB2 TRP 90 2HB TRP 90 -0.335 -11.909 -18.055 686 HB3 TRP 90 3HB TRP 90 -0.207 -10.781 -19.401 687 HD1 TRP 90 HD1 TRP 90 -2.252 -13.890 -18.348 688 HE1 TRP 90 HE1 TRP 90 -4.546 -13.765 -19.509 689 HE3 TRP 90 HE3 TRP 90 -1.475 -9.745 -21.240 690 HZ2 TRP 90 HZ2 TRP 90 -5.853 -12.128 -21.401 691 HZ3 TRP 90 HZ3 TRP 90 -3.298 -8.966 -22.697 692 HH2 TRP 90 HH2 TRP 90 -5.441 -10.134 -22.775 693 H LEU 91 H LEU 91 2.137 -10.841 -20.598 694 HA LEU 91 HA LEU 91 4.180 -11.303 -18.543 695 HB2 LEU 91 2HB LEU 91 4.474 -11.473 -21.473 696 HB3 LEU 91 3HB LEU 91 5.730 -10.575 -20.624 697 HG LEU 91 HG LEU 91 6.423 -12.866 -20.971 698 HD11 LEU 91 1HD1 LEU 91 6.995 -11.628 -18.853 699 HD12 LEU 91 2HD1 LEU 91 7.105 -13.385 -18.768 700 HD13 LEU 91 3HD1 LEU 91 5.718 -12.554 -18.064 701 HD21 LEU 91 3HD2 LEU 91 5.133 -14.673 -20.654 702 HD22 LEU 91 1HD2 LEU 91 3.796 -13.522 -20.679 703 HD23 LEU 91 2HD2 LEU 91 4.470 -14.057 -19.139 704 H GLU 92 H GLU 92 5.636 -9.466 -18.239 705 HA GLU 92 HA GLU 92 4.176 -6.988 -18.327 706 HB2 GLU 92 2HB GLU 92 6.885 -7.755 -17.251 707 HB3 GLU 92 3HB GLU 92 6.297 -6.099 -17.225 708 HG2 GLU 92 2HG GLU 92 4.285 -6.978 -15.968 709 HG3 GLU 92 3HG GLU 92 5.181 -8.485 -15.789 710 H ARG 93 H ARG 93 4.676 -5.140 -19.466 711 HA ARG 93 HA ARG 93 6.881 -5.256 -21.387 712 HB2 ARG 93 2HB ARG 93 4.489 -5.957 -22.293 713 HB3 ARG 93 3HB ARG 93 4.263 -4.215 -22.364 714 HG2 ARG 93 2HG ARG 93 6.455 -4.165 -23.675 715 HG3 ARG 93 3HG ARG 93 6.238 -5.908 -23.848 716 HD2 ARG 93 2HD ARG 93 4.013 -5.495 -24.840 717 HD3 ARG 93 3HD ARG 93 4.314 -3.761 -24.734 718 HE ARG 93 HE ARG 93 6.413 -4.987 -26.149 719 HH11 ARG 93 1HH1 ARG 93 3.040 -4.192 -26.484 720 HH12 ARG 93 2HH1 ARG 93 3.109 -4.055 -28.210 721 HH21 ARG 93 1HH2 ARG 93 6.517 -4.809 -28.421 722 HH22 ARG 93 2HH2 ARG 93 5.087 -4.407 -29.310 723 HA PRO 94 HA PRO 94 6.849 -1.190 -19.302 724 HB2 PRO 94 2HB PRO 94 9.537 -0.852 -19.477 725 HB3 PRO 94 3HB PRO 94 8.768 -1.790 -18.191 726 HG2 PRO 94 2HG PRO 94 10.082 -2.745 -20.706 727 HG3 PRO 94 3HG PRO 94 10.205 -3.398 -19.062 728 HD2 PRO 94 2HD PRO 94 8.612 -4.503 -20.951 729 HD3 PRO 94 3HD PRO 94 8.203 -4.527 -19.224 730 H ARG 95 H ARG 95 5.833 -0.063 -20.964 731 HA ARG 95 HA ARG 95 7.447 0.632 -23.311 732 HB2 ARG 95 2HB ARG 95 5.276 -0.197 -23.889 733 HB3 ARG 95 3HB ARG 95 4.495 0.880 -22.738 734 HG2 ARG 95 2HG ARG 95 4.157 1.719 -24.957 735 HG3 ARG 95 3HG ARG 95 5.247 2.807 -24.093 736 HD2 ARG 95 2HD ARG 95 7.121 1.380 -25.175 737 HD3 ARG 95 3HD ARG 95 5.855 0.866 -26.289 738 HE ARG 95 HE ARG 95 6.009 3.711 -26.021 739 HH11 ARG 95 1HH1 ARG 95 7.372 0.941 -27.629 740 HH12 ARG 95 2HH1 ARG 95 7.930 1.846 -28.997 741 HH21 ARG 95 1HH2 ARG 95 6.738 4.914 -27.817 742 HH22 ARG 95 2HH2 ARG 95 7.569 4.106 -29.103 743 H SER 96 H SER 96 7.716 2.800 -23.959 744 HA SER 96 HA SER 96 7.369 4.751 -21.777 745 HB2 SER 96 2HB SER 96 9.324 5.737 -23.535 746 HB3 SER 96 3HB SER 96 9.584 5.072 -21.923 747 HG SER 96 HG SER 96 10.827 3.892 -23.325 748 H LEU 97 H LEU 97 6.020 6.367 -22.171 749 HA LEU 97 HA LEU 97 5.196 6.882 -24.934 750 HB2 LEU 97 2HB LEU 97 3.900 8.100 -22.531 751 HB3 LEU 97 3HB LEU 97 3.203 7.738 -24.109 752 HG LEU 97 HG LEU 97 3.845 5.778 -21.909 753 HD11 LEU 97 1HD1 LEU 97 1.384 5.353 -22.086 754 HD12 LEU 97 2HD1 LEU 97 1.278 6.771 -23.129 755 HD13 LEU 97 3HD1 LEU 97 1.820 6.943 -21.460 756 HD21 LEU 97 3HD2 LEU 97 3.003 5.343 -24.762 757 HD22 LEU 97 1HD2 LEU 97 2.728 4.146 -23.496 758 HD23 LEU 97 2HD2 LEU 97 4.373 4.637 -23.902 759 H THR 98 H THR 98 6.495 8.338 -25.872 760 HA THR 98 HA THR 98 7.649 10.528 -24.387 761 HB THR 98 HB THR 98 8.826 11.102 -26.376 762 HG1 THR 98 HG1 THR 98 8.173 10.513 -28.372 763 HG21 THR 98 3HG2 THR 98 9.196 8.760 -25.185 764 HG22 THR 98 1HG2 THR 98 10.116 9.228 -26.614 765 HG23 THR 98 2HG2 THR 98 8.725 8.156 -26.773 766 H LEU 99 H LEU 99 7.421 12.776 -25.064 767 HA LEU 99 HA LEU 99 4.830 13.706 -25.022 768 HB2 LEU 99 2HB LEU 99 7.318 14.840 -24.986 769 HB3 LEU 99 3HB LEU 99 6.665 15.432 -26.512 770 HG LEU 99 HG LEU 99 6.221 17.082 -24.867 771 HD11 LEU 99 1HD1 LEU 99 3.600 15.649 -25.000 772 HD12 LEU 99 2HD1 LEU 99 4.351 16.280 -26.465 773 HD13 LEU 99 3HD1 LEU 99 3.942 17.374 -25.143 774 HD21 LEU 99 3HD2 LEU 99 5.561 16.722 -22.721 775 HD22 LEU 99 1HD2 LEU 99 6.375 15.185 -23.015 776 HD23 LEU 99 2HD2 LEU 99 4.618 15.289 -23.131 777 H LYS 100 H LYS 100 3.230 13.779 -26.449 778 HA LYS 100 HA LYS 100 3.292 12.643 -28.962 779 HB2 LYS 100 2HB LYS 100 1.189 14.003 -29.387 780 HB3 LYS 100 3HB LYS 100 1.178 12.983 -27.954 781 HG2 LYS 100 2HG LYS 100 0.938 14.724 -26.582 782 HG3 LYS 100 3HG LYS 100 2.152 15.680 -27.436 783 HD2 LYS 100 2HD LYS 100 0.499 16.241 -29.153 784 HD3 LYS 100 3HD LYS 100 -0.713 15.283 -28.300 785 HE2 LYS 100 2HE LYS 100 -0.516 16.760 -26.362 786 HE3 LYS 100 3HE LYS 100 0.706 17.710 -27.205 787 HZ1 LYS 100 3HZ LYS 100 -0.844 18.796 -28.359 788 HZ2 LYS 100 1HZ LYS 100 -1.954 18.204 -27.227 789 HZ3 LYS 100 2HZ LYS 100 -1.732 17.395 -28.696 790 H GLU 101 H GLU 101 4.721 13.229 -30.485 791 HA GLU 101 HA GLU 101 4.867 16.085 -31.200 792 HB2 GLU 101 2HB GLU 101 6.974 14.957 -30.306 793 HB3 GLU 101 3HB GLU 101 6.991 14.034 -31.802 794 HG2 GLU 101 2HG GLU 101 6.852 17.011 -31.900 795 HG3 GLU 101 3HG GLU 101 8.391 16.209 -31.592 796 H ARG 102 H ARG 102 4.512 12.805 -32.356 797 HA ARG 102 HA ARG 102 3.205 13.697 -34.737 798 HB2 ARG 102 2HB ARG 102 5.780 13.820 -35.154 799 HB3 ARG 102 3HB ARG 102 5.666 12.069 -35.268 800 HG2 ARG 102 2HG ARG 102 5.539 12.936 -37.470 801 HG3 ARG 102 3HG ARG 102 3.922 12.381 -37.032 802 HD2 ARG 102 2HD ARG 102 3.133 14.569 -36.730 803 HD3 ARG 102 3HD ARG 102 4.763 15.237 -36.656 804 HE ARG 102 HE ARG 102 4.637 14.214 -39.152 805 HH11 ARG 102 1HH1 ARG 102 2.572 16.361 -37.352 806 HH12 ARG 102 2HH1 ARG 102 2.021 17.218 -38.754 807 HH21 ARG 102 1HH2 ARG 102 3.920 15.333 -41.006 808 HH22 ARG 102 2HH2 ARG 102 2.788 16.631 -40.832 809 H SER 103 H SER 103 1.977 12.094 -35.680 810 HA SER 103 HA SER 103 1.202 9.931 -34.108 811 HB2 SER 103 2HB SER 103 0.048 11.091 -36.167 812 HB3 SER 103 3HB SER 103 0.858 9.821 -37.083 813 HG SER 103 HG SER 103 -0.417 8.358 -36.213 814 H LEU 104 H LEU 104 1.260 7.604 -34.788 815 HA LEU 104 HA LEU 104 4.010 6.820 -35.173 816 HB2 LEU 104 2HB LEU 104 1.482 5.467 -34.398 817 HB3 LEU 104 3HB LEU 104 2.777 4.476 -35.067 818 HG LEU 104 HG LEU 104 4.215 5.669 -33.220 819 HD11 LEU 104 1HD1 LEU 104 1.538 5.693 -31.864 820 HD12 LEU 104 2HD1 LEU 104 2.217 7.132 -32.624 821 HD13 LEU 104 3HD1 LEU 104 3.071 6.351 -31.293 822 HD21 LEU 104 3HD2 LEU 104 3.875 3.285 -33.324 823 HD22 LEU 104 1HD2 LEU 104 2.241 3.454 -32.683 824 HD23 LEU 104 2HD2 LEU 104 3.630 3.835 -31.665 825 H GLU 105 H GLU 105 4.396 4.833 -36.625 826 HA GLU 105 HA GLU 105 3.053 5.278 -39.210 827 HB2 GLU 105 2HB GLU 105 5.936 4.501 -38.732 828 HB3 GLU 105 3HB GLU 105 5.174 4.686 -40.306 829 HG2 GLU 105 2HG GLU 105 5.500 6.884 -38.276 830 HG3 GLU 105 3HG GLU 105 6.550 6.620 -39.667 831 H HIS 106 H HIS 106 4.435 2.957 -36.977 832 HA HIS 106 HA HIS 106 4.310 0.625 -38.450 833 HB2 HIS 106 2HB HIS 106 5.100 1.057 -36.003 834 HB3 HIS 106 3HB HIS 106 3.440 0.650 -35.578 835 HD1 HIS 106 HD1 HIS 106 2.656 -1.809 -36.159 836 HD2 HIS 106 HD2 HIS 106 6.723 -1.083 -36.607 837 HE1 HIS 106 HE1 HIS 106 3.733 -4.078 -36.295 838 H HIS 107 H HIS 107 2.749 -0.920 -38.861 839 HA HIS 107 HA HIS 107 0.023 0.076 -38.901 840 HB2 HIS 107 2HB HIS 107 -0.460 -1.751 -40.377 841 HB3 HIS 107 3HB HIS 107 1.081 -1.061 -40.877 842 HD1 HIS 107 HD1 HIS 107 3.102 -2.576 -40.842 843 HD2 HIS 107 HD2 HIS 107 -0.243 -4.295 -39.075 844 HE1 HIS 107 HE1 HIS 107 3.710 -4.985 -40.454 845 H HIS 108 H HIS 108 -1.641 -1.900 -38.595 846 HA HIS 108 HA HIS 108 -0.987 -3.386 -36.165 847 HB2 HIS 108 2HB HIS 108 -2.192 -1.057 -35.784 848 HB3 HIS 108 3HB HIS 108 -3.623 -1.984 -36.224 849 HD1 HIS 108 HD1 HIS 108 -4.524 -1.689 -33.794 850 HD2 HIS 108 HD2 HIS 108 -0.963 -3.811 -34.075 851 HE1 HIS 108 HE1 HIS 108 -4.224 -2.800 -31.558 852 H HIS 109 H HIS 109 -1.546 -5.431 -36.464 853 HA HIS 109 HA HIS 109 -3.838 -6.021 -38.221 854 HB2 HIS 109 2HB HIS 109 -1.179 -7.385 -37.928 855 HB3 HIS 109 3HB HIS 109 -2.580 -8.281 -38.507 856 HD1 HIS 109 HD1 HIS 109 0.170 -7.163 -40.017 857 HD2 HIS 109 HD2 HIS 109 -3.793 -6.042 -40.565 858 HE1 HIS 109 HE1 HIS 109 0.062 -6.184 -42.331 859 H HIS 110 H HIS 110 -3.872 -5.566 -35.343 860 HA HIS 110 HA HIS 110 -4.717 -8.242 -34.442 861 HB2 HIS 110 2HB HIS 110 -3.597 -5.946 -32.825 862 HB3 HIS 110 3HB HIS 110 -4.289 -7.404 -32.120 863 HD1 HIS 110 HD1 HIS 110 -1.405 -6.744 -31.491 864 HD2 HIS 110 HD2 HIS 110 -2.545 -9.088 -34.727 865 HE1 HIS 110 HE1 HIS 110 0.611 -8.138 -32.055 866 H HIS 111 H HIS 111 -5.293 -4.828 -33.569 867 HA HIS 111 HA HIS 111 -8.180 -5.373 -33.690 868 HB2 HIS 111 2HB HIS 111 -6.702 -3.900 -31.503 869 HB3 HIS 111 3HB HIS 111 -8.453 -3.878 -31.693 870 HD1 HIS 111 HD1 HIS 111 -9.614 -6.335 -31.526 871 HD2 HIS 111 HD2 HIS 111 -5.765 -5.965 -30.006 872 HE1 HIS 111 HE1 HIS 111 -9.292 -8.323 -30.020 Start of MODEL 18 1 H1 ASP 1 H ASP 1 0.693 -17.035 -42.799 2 HA ASP 1 HA ASP 1 2.389 -19.230 -41.854 3 HB2 ASP 1 2HB ASP 1 3.003 -16.398 -42.699 4 HB3 ASP 1 3HB ASP 1 4.198 -17.449 -41.944 5 H LEU 2 H LEU 2 1.202 -19.424 -39.848 6 HA LEU 2 HA LEU 2 1.754 -17.253 -37.939 7 HB2 LEU 2 2HB LEU 2 -0.214 -19.488 -37.547 8 HB3 LEU 2 3HB LEU 2 -0.092 -17.975 -36.651 9 HG LEU 2 HG LEU 2 -0.652 -16.936 -39.015 10 HD11 LEU 2 1HD1 LEU 2 -1.144 -19.783 -39.357 11 HD12 LEU 2 2HD1 LEU 2 -1.040 -18.497 -40.559 12 HD13 LEU 2 3HD1 LEU 2 -2.559 -18.790 -39.712 13 HD21 LEU 2 3HD2 LEU 2 -1.967 -17.168 -36.702 14 HD22 LEU 2 1HD2 LEU 2 -3.014 -18.159 -37.719 15 HD23 LEU 2 2HD2 LEU 2 -2.697 -16.479 -38.153 16 H THR 3 H THR 3 3.620 -17.675 -36.935 17 HA THR 3 HA THR 3 3.996 -20.378 -35.818 18 HB THR 3 HB THR 3 6.528 -19.617 -35.907 19 HG1 THR 3 HG1 THR 3 6.808 -18.454 -37.959 20 HG21 THR 3 3HG2 THR 3 5.220 -20.512 -38.466 21 HG22 THR 3 1HG2 THR 3 5.365 -21.567 -37.060 22 HG23 THR 3 2HG2 THR 3 6.814 -20.939 -37.845 23 H VAL 4 H VAL 4 3.580 -20.217 -33.707 24 HA VAL 4 HA VAL 4 4.676 -17.907 -32.240 25 HB VAL 4 HB VAL 4 2.345 -19.652 -31.433 26 HG11 VAL 4 1HG1 VAL 4 3.998 -18.048 -29.876 27 HG12 VAL 4 2HG1 VAL 4 2.557 -17.069 -30.153 28 HG13 VAL 4 3HG1 VAL 4 2.410 -18.673 -29.435 29 HG21 VAL 4 3HG2 VAL 4 1.466 -18.429 -33.184 30 HG22 VAL 4 1HG2 VAL 4 1.140 -17.372 -31.810 31 HG23 VAL 4 2HG2 VAL 4 2.506 -17.038 -32.874 32 H ARG 5 H ARG 5 6.616 -18.609 -31.520 33 HA ARG 5 HA ARG 5 6.600 -20.966 -29.765 34 HB2 ARG 5 2HB ARG 5 7.682 -21.259 -32.131 35 HB3 ARG 5 3HB ARG 5 9.012 -20.348 -31.429 36 HG2 ARG 5 2HG ARG 5 9.736 -22.426 -30.924 37 HG3 ARG 5 3HG ARG 5 8.713 -22.168 -29.509 38 HD2 ARG 5 2HD ARG 5 8.060 -24.269 -30.251 39 HD3 ARG 5 3HD ARG 5 6.844 -23.203 -30.954 40 HE ARG 5 HE ARG 5 7.639 -23.720 -33.044 41 HH11 ARG 5 1HH1 ARG 5 9.904 -24.811 -30.637 42 HH12 ARG 5 2HH1 ARG 5 10.872 -25.702 -31.764 43 HH21 ARG 5 1HH2 ARG 5 8.906 -24.889 -34.538 44 HH22 ARG 5 2HH2 ARG 5 10.304 -25.744 -33.983 45 H GLN 6 H GLN 6 6.349 -19.279 -28.128 46 HA GLN 6 HA GLN 6 8.948 -18.391 -27.182 47 HB2 GLN 6 2HB GLN 6 7.951 -16.091 -26.678 48 HB3 GLN 6 3HB GLN 6 8.401 -16.423 -28.345 49 HG2 GLN 6 2HG GLN 6 5.615 -17.025 -27.561 50 HG3 GLN 6 3HG GLN 6 6.077 -15.327 -27.663 51 HE21 GLN 6 1HE2 GLN 6 4.412 -15.415 -29.382 52 HE22 GLN 6 2HE2 GLN 6 4.922 -15.836 -30.978 53 H LYS 7 H LYS 7 9.110 -18.784 -25.078 54 HA LYS 7 HA LYS 7 6.798 -18.506 -23.337 55 HB2 LYS 7 2HB LYS 7 7.013 -20.923 -24.309 56 HB3 LYS 7 3HB LYS 7 8.337 -21.073 -23.161 57 HG2 LYS 7 2HG LYS 7 6.943 -20.912 -21.328 58 HG3 LYS 7 3HG LYS 7 5.666 -20.104 -22.241 59 HD2 LYS 7 2HD LYS 7 4.952 -22.344 -21.779 60 HD3 LYS 7 3HD LYS 7 5.322 -22.230 -23.502 61 HE2 LYS 7 2HE LYS 7 7.513 -23.077 -21.694 62 HE3 LYS 7 3HE LYS 7 6.202 -24.225 -21.962 63 HZ1 LYS 7 3HZ LYS 7 7.655 -24.733 -23.651 64 HZ2 LYS 7 1HZ LYS 7 8.128 -23.127 -23.896 65 HZ3 LYS 7 2HZ LYS 7 6.614 -23.655 -24.436 66 H GLY 8 H GLY 8 7.324 -18.059 -21.218 67 HA2 GLY 8 2HA GLY 8 9.970 -18.454 -20.183 68 HA3 GLY 8 3HA GLY 8 9.667 -16.777 -20.614 69 H ASN 9 H ASN 9 9.235 -15.630 -18.859 70 HA ASN 9 HA ASN 9 7.991 -16.879 -16.553 71 HB2 ASN 9 2HB ASN 9 9.965 -15.179 -16.550 72 HB3 ASN 9 3HB ASN 9 8.700 -13.966 -16.727 73 HD21 ASN 9 1HD2 ASN 9 9.864 -16.586 -14.698 74 HD22 ASN 9 2HD2 ASN 9 9.150 -16.015 -13.232 75 H LYS 10 H LYS 10 6.182 -15.833 -15.440 76 HA LYS 10 HA LYS 10 4.405 -14.305 -17.206 77 HB2 LYS 10 2HB LYS 10 3.383 -16.585 -15.522 78 HB3 LYS 10 3HB LYS 10 2.537 -15.706 -16.789 79 HG2 LYS 10 2HG LYS 10 4.911 -17.503 -17.238 80 HG3 LYS 10 3HG LYS 10 3.225 -17.972 -17.467 81 HD2 LYS 10 2HD LYS 10 3.011 -16.772 -19.385 82 HD3 LYS 10 3HD LYS 10 4.126 -15.513 -18.848 83 HE2 LYS 10 2HE LYS 10 5.179 -16.649 -20.648 84 HE3 LYS 10 3HE LYS 10 5.988 -17.168 -19.170 85 HZ1 LYS 10 3HZ LYS 10 5.484 -19.255 -19.648 86 HZ2 LYS 10 1HZ LYS 10 4.772 -18.761 -21.101 87 HZ3 LYS 10 2HZ LYS 10 3.833 -18.895 -19.701 88 H VAL 11 H VAL 11 2.279 -13.850 -15.739 89 HA VAL 11 HA VAL 11 3.096 -13.109 -13.032 90 HB VAL 11 HB VAL 11 2.314 -10.819 -13.262 91 HG11 VAL 11 1HG1 VAL 11 4.229 -9.975 -14.202 92 HG12 VAL 11 2HG1 VAL 11 4.705 -11.656 -13.956 93 HG13 VAL 11 3HG1 VAL 11 4.196 -11.108 -15.553 94 HG21 VAL 11 3HG2 VAL 11 0.933 -10.236 -14.900 95 HG22 VAL 11 1HG2 VAL 11 2.230 -10.479 -16.070 96 HG23 VAL 11 2HG2 VAL 11 1.149 -11.812 -15.663 97 H ILE 12 H ILE 12 1.280 -12.444 -11.678 98 HA ILE 12 HA ILE 12 -0.923 -14.164 -11.922 99 HB ILE 12 HB ILE 12 -0.873 -11.644 -10.267 100 HG12 ILE 12 2HG1 ILE 12 -0.145 -13.718 -8.598 101 HG13 ILE 12 3HG1 ILE 12 0.744 -14.078 -10.074 102 HG21 ILE 12 1HG2 ILE 12 -2.258 -13.103 -8.739 103 HG22 ILE 12 2HG2 ILE 12 -3.026 -12.620 -10.250 104 HG23 ILE 12 3HG2 ILE 12 -2.368 -14.247 -10.077 105 HD11 ILE 12 3HD1 ILE 12 1.547 -12.385 -8.080 106 HD12 ILE 12 1HD1 ILE 12 2.188 -12.425 -9.722 107 HD13 ILE 12 2HD1 ILE 12 0.913 -11.281 -9.300 108 H LYS 13 H LYS 13 -3.100 -13.775 -12.387 109 HA LYS 13 HA LYS 13 -3.689 -12.252 -14.611 110 HB2 LYS 13 2HB LYS 13 -6.112 -12.457 -13.800 111 HB3 LYS 13 3HB LYS 13 -5.220 -13.948 -14.072 112 HG2 LYS 13 2HG LYS 13 -5.076 -14.433 -11.829 113 HG3 LYS 13 3HG LYS 13 -5.261 -12.746 -11.344 114 HD2 LYS 13 2HD LYS 13 -7.269 -13.961 -10.785 115 HD3 LYS 13 3HD LYS 13 -7.619 -12.832 -12.096 116 HE2 LYS 13 2HE LYS 13 -7.384 -14.674 -13.712 117 HE3 LYS 13 3HE LYS 13 -7.091 -15.790 -12.378 118 HZ1 LYS 13 3HZ LYS 13 -9.513 -15.220 -13.446 119 HZ2 LYS 13 1HZ LYS 13 -9.493 -14.248 -12.062 120 HZ3 LYS 13 2HZ LYS 13 -9.255 -15.917 -11.927 121 HA PRO 14 HA PRO 14 -4.195 -8.082 -13.343 122 HB2 PRO 14 2HB PRO 14 -6.266 -7.277 -14.903 123 HB3 PRO 14 3HB PRO 14 -4.646 -7.582 -15.540 124 HG2 PRO 14 2HG PRO 14 -7.062 -9.350 -15.582 125 HG3 PRO 14 3HG PRO 14 -5.885 -9.033 -16.870 126 HD2 PRO 14 2HD PRO 14 -5.811 -11.271 -15.347 127 HD3 PRO 14 3HD PRO 14 -4.345 -10.510 -15.998 128 H ASP 15 H ASP 15 -5.414 -6.714 -12.037 129 HA ASP 15 HA ASP 15 -7.726 -7.988 -10.744 130 HB2 ASP 15 2HB ASP 15 -7.257 -6.291 -8.912 131 HB3 ASP 15 3HB ASP 15 -6.034 -7.539 -9.139 132 H GLU 16 H GLU 16 -9.368 -7.351 -12.117 133 HA GLU 16 HA GLU 16 -9.724 -4.486 -12.601 134 HB2 GLU 16 2HB GLU 16 -11.403 -5.131 -14.230 135 HB3 GLU 16 3HB GLU 16 -9.917 -6.024 -14.520 136 HG2 GLU 16 2HG GLU 16 -10.933 -7.931 -13.245 137 HG3 GLU 16 3HG GLU 16 -12.451 -7.034 -13.262 138 H THR 17 H THR 17 -10.159 -5.797 -9.977 139 HA THR 17 HA THR 17 -13.022 -5.178 -9.641 140 HB THR 17 HB THR 17 -12.542 -7.526 -9.136 141 HG1 THR 17 HG1 THR 17 -12.952 -6.153 -6.681 142 HG21 THR 17 3HG2 THR 17 -10.132 -6.666 -8.216 143 HG22 THR 17 1HG2 THR 17 -10.822 -8.251 -7.870 144 HG23 THR 17 2HG2 THR 17 -10.997 -6.939 -6.704 145 H ARG 18 H ARG 18 -9.777 -4.564 -8.579 146 HA ARG 18 HA ARG 18 -10.332 -3.286 -6.132 147 HB2 ARG 18 2HB ARG 18 -8.042 -2.954 -8.073 148 HB3 ARG 18 3HB ARG 18 -8.093 -2.195 -6.487 149 HG2 ARG 18 2HG ARG 18 -8.415 -5.154 -6.755 150 HG3 ARG 18 3HG ARG 18 -6.813 -4.415 -6.790 151 HD2 ARG 18 2HD ARG 18 -8.843 -4.043 -4.591 152 HD3 ARG 18 3HD ARG 18 -7.489 -5.171 -4.534 153 HE ARG 18 HE ARG 18 -6.326 -2.767 -5.056 154 HH11 ARG 18 1HH1 ARG 18 -8.482 -3.952 -2.593 155 HH12 ARG 18 2HH1 ARG 18 -7.890 -2.875 -1.373 156 HH21 ARG 18 1HH2 ARG 18 -5.537 -1.344 -3.458 157 HH22 ARG 18 2HH2 ARG 18 -6.215 -1.391 -1.866 158 H VAL 19 H VAL 19 -9.062 -1.534 -8.940 159 HA VAL 19 HA VAL 19 -11.050 0.581 -8.416 160 HB VAL 19 HB VAL 19 -8.809 1.312 -7.769 161 HG11 VAL 19 1HG1 VAL 19 -6.955 0.927 -8.956 162 HG12 VAL 19 2HG1 VAL 19 -7.938 -0.203 -9.891 163 HG13 VAL 19 3HG1 VAL 19 -7.707 1.450 -10.463 164 HG21 VAL 19 3HG2 VAL 19 -9.563 3.306 -8.402 165 HG22 VAL 19 1HG2 VAL 19 -8.804 3.048 -9.973 166 HG23 VAL 19 2HG2 VAL 19 -10.487 2.585 -9.720 167 H LYS 20 H LYS 20 -12.289 1.195 -10.073 168 HA LYS 20 HA LYS 20 -11.495 0.368 -12.788 169 HB2 LYS 20 2HB LYS 20 -14.350 0.539 -11.833 170 HB3 LYS 20 3HB LYS 20 -13.747 -0.190 -13.316 171 HG2 LYS 20 2HG LYS 20 -14.091 -2.071 -12.098 172 HG3 LYS 20 3HG LYS 20 -12.435 -1.718 -11.599 173 HD2 LYS 20 2HD LYS 20 -13.061 -1.069 -9.502 174 HD3 LYS 20 3HD LYS 20 -14.636 -0.479 -10.037 175 HE2 LYS 20 2HE LYS 20 -15.216 -2.935 -10.440 176 HE3 LYS 20 3HE LYS 20 -13.778 -3.306 -9.490 177 HZ1 LYS 20 3HZ LYS 20 -16.147 -3.046 -8.394 178 HZ2 LYS 20 1HZ LYS 20 -15.692 -1.417 -8.351 179 HZ3 LYS 20 2HZ LYS 20 -14.736 -2.583 -7.583 180 H GLN 21 H GLN 21 -10.548 2.607 -12.668 181 HA GLN 21 HA GLN 21 -12.090 4.921 -12.495 182 HB2 GLN 21 2HB GLN 21 -9.535 4.308 -13.966 183 HB3 GLN 21 3HB GLN 21 -10.254 5.913 -13.983 184 HG2 GLN 21 2HG GLN 21 -9.231 4.390 -11.602 185 HG3 GLN 21 3HG GLN 21 -8.572 5.868 -12.303 186 HE21 GLN 21 1HE2 GLN 21 -10.703 7.447 -12.634 187 HE22 GLN 21 2HE2 GLN 21 -11.463 7.789 -11.121 188 H PHE 22 H PHE 22 -12.708 6.404 -14.236 189 HA PHE 22 HA PHE 22 -14.423 5.183 -16.092 190 HB2 PHE 22 2HB PHE 22 -14.902 7.410 -15.341 191 HB3 PHE 22 3HB PHE 22 -13.350 8.001 -15.926 192 HD1 PHE 22 HD1 PHE 22 -16.431 6.328 -17.195 193 HD2 PHE 22 HD2 PHE 22 -13.290 9.103 -17.939 194 HE1 PHE 22 HE1 PHE 22 -17.475 6.929 -19.341 195 HE2 PHE 22 HE2 PHE 22 -14.330 9.709 -20.085 196 HZ PHE 22 HZ PHE 22 -16.425 8.623 -20.788 197 H LEU 23 H LEU 23 -11.182 6.542 -16.439 198 HA LEU 23 HA LEU 23 -11.093 6.092 -19.277 199 HB2 LEU 23 2HB LEU 23 -8.919 6.770 -17.303 200 HB3 LEU 23 3HB LEU 23 -8.713 6.724 -19.053 201 HG LEU 23 HG LEU 23 -8.929 8.992 -18.551 202 HD11 LEU 23 1HD1 LEU 23 -10.424 8.191 -20.372 203 HD12 LEU 23 2HD1 LEU 23 -10.967 9.679 -19.598 204 HD13 LEU 23 3HD1 LEU 23 -11.745 8.146 -19.205 205 HD21 LEU 23 3HD2 LEU 23 -10.123 8.169 -16.232 206 HD22 LEU 23 1HD2 LEU 23 -11.457 8.945 -17.086 207 HD23 LEU 23 2HD2 LEU 23 -9.973 9.844 -16.765 208 H GLU 24 H GLU 24 -10.243 4.327 -16.410 209 HA GLU 24 HA GLU 24 -8.431 2.490 -17.546 210 HB2 GLU 24 2HB GLU 24 -10.071 2.621 -15.075 211 HB3 GLU 24 3HB GLU 24 -9.500 1.031 -15.563 212 HG2 GLU 24 2HG GLU 24 -7.218 1.763 -15.490 213 HG3 GLU 24 3HG GLU 24 -7.720 3.425 -15.184 214 H GLY 25 H GLY 25 -11.779 2.880 -17.954 215 HA2 GLY 25 2HA GLY 25 -12.439 0.135 -18.470 216 HA3 GLY 25 3HA GLY 25 -13.437 1.534 -18.835 217 H PHE 26 H PHE 26 -10.978 2.645 -20.304 218 HA PHE 26 HA PHE 26 -11.535 1.231 -22.817 219 HB2 PHE 26 2HB PHE 26 -10.288 3.962 -22.471 220 HB3 PHE 26 3HB PHE 26 -10.887 3.248 -23.965 221 HD1 PHE 26 HD2 PHE 26 -11.872 4.672 -20.716 222 HD2 PHE 26 HD1 PHE 26 -13.187 3.329 -24.535 223 HE1 PHE 26 HE2 PHE 26 -14.075 5.691 -20.312 224 HE2 PHE 26 HE1 PHE 26 -15.392 4.347 -24.138 225 HZ PHE 26 HZ PHE 26 -15.839 5.528 -22.024 226 H ASN 27 H ASN 27 -9.705 1.144 -24.391 227 HA ASN 27 HA ASN 27 -7.517 -0.229 -23.267 228 HB2 ASN 27 2HB ASN 27 -8.325 0.659 -25.975 229 HB3 ASN 27 3HB ASN 27 -6.604 0.366 -25.742 230 HD21 ASN 27 1HD2 ASN 27 -5.871 -1.694 -25.448 231 HD22 ASN 27 2HD2 ASN 27 -6.871 -3.092 -25.628 232 H ILE 28 H ILE 28 -5.279 0.327 -23.276 233 HA ILE 28 HA ILE 28 -4.821 3.080 -22.521 234 HB ILE 28 HB ILE 28 -3.816 1.175 -21.265 235 HG12 ILE 28 2HG1 ILE 28 -1.564 2.209 -21.052 236 HG13 ILE 28 3HG1 ILE 28 -1.888 3.153 -22.502 237 HG21 ILE 28 1HG2 ILE 28 -3.224 0.082 -23.619 238 HG22 ILE 28 2HG2 ILE 28 -1.689 0.891 -23.307 239 HG23 ILE 28 3HG2 ILE 28 -2.317 -0.284 -22.151 240 HD11 ILE 28 3HD1 ILE 28 -4.046 3.583 -20.749 241 HD12 ILE 28 1HD1 ILE 28 -2.567 3.723 -19.799 242 HD13 ILE 28 2HD1 ILE 28 -2.789 4.720 -21.237 243 H GLU 29 H GLU 29 -4.268 1.043 -25.267 244 HA GLU 29 HA GLU 29 -2.238 2.679 -26.460 245 HB2 GLU 29 2HB GLU 29 -2.469 1.254 -28.392 246 HB3 GLU 29 3HB GLU 29 -2.490 0.256 -26.946 247 HG2 GLU 29 2HG GLU 29 -4.884 0.027 -27.083 248 HG3 GLU 29 3HG GLU 29 -4.940 1.132 -28.455 249 H THR 30 H THR 30 -5.716 2.570 -26.496 250 HA THR 30 HA THR 30 -6.171 4.076 -28.838 251 HB THR 30 HB THR 30 -8.413 4.513 -27.925 252 HG1 THR 30 HG1 THR 30 -8.688 4.498 -25.834 253 HG21 THR 30 3HG2 THR 30 -7.273 1.746 -27.751 254 HG22 THR 30 1HG2 THR 30 -8.326 2.440 -28.983 255 HG23 THR 30 2HG2 THR 30 -8.974 2.040 -27.392 256 H PHE 31 H PHE 31 -5.067 4.962 -25.710 257 HA PHE 31 HA PHE 31 -5.874 7.722 -25.879 258 HB2 PHE 31 2HB PHE 31 -3.859 6.460 -24.010 259 HB3 PHE 31 3HB PHE 31 -4.657 8.016 -23.806 260 HD1 PHE 31 HD1 PHE 31 -7.429 7.117 -24.658 261 HD2 PHE 31 HD2 PHE 31 -4.559 5.424 -22.011 262 HE1 PHE 31 HE1 PHE 31 -9.239 6.023 -23.401 263 HE2 PHE 31 HE2 PHE 31 -6.364 4.326 -20.750 264 HZ PHE 31 HZ PHE 31 -8.708 4.624 -21.445 265 H GLU 32 H GLU 32 -4.405 9.517 -25.988 266 HA GLU 32 HA GLU 32 -1.779 8.950 -27.152 267 HB2 GLU 32 2HB GLU 32 -3.815 10.810 -28.392 268 HB3 GLU 32 3HB GLU 32 -2.151 10.624 -28.926 269 HG2 GLU 32 2HG GLU 32 -2.786 8.124 -29.193 270 HG3 GLU 32 3HG GLU 32 -4.441 8.730 -29.184 271 H MET 33 H MET 33 -0.240 10.183 -26.292 272 HA MET 33 HA MET 33 -0.634 11.910 -24.177 273 HB2 MET 33 2HB MET 33 1.542 10.822 -25.171 274 HB3 MET 33 3HB MET 33 1.682 12.356 -26.020 275 HG2 MET 33 2HG MET 33 1.211 12.403 -23.088 276 HG3 MET 33 3HG MET 33 2.811 11.958 -23.679 277 HE1 MET 33 3HE MET 33 3.643 13.609 -22.282 278 HE2 MET 33 1HE MET 33 4.586 14.447 -23.515 279 HE3 MET 33 2HE MET 33 3.526 15.362 -22.443 280 H VAL 34 H VAL 34 -1.311 13.943 -23.971 281 HA VAL 34 HA VAL 34 -1.570 15.571 -26.412 282 HB VAL 34 HB VAL 34 -3.720 15.104 -25.404 283 HG11 VAL 34 1HG1 VAL 34 -4.214 15.996 -23.108 284 HG12 VAL 34 2HG1 VAL 34 -3.137 14.599 -23.153 285 HG13 VAL 34 3HG1 VAL 34 -2.478 16.214 -22.896 286 HG21 VAL 34 3HG2 VAL 34 -4.567 17.262 -25.425 287 HG22 VAL 34 1HG2 VAL 34 -3.155 17.933 -24.608 288 HG23 VAL 34 2HG2 VAL 34 -3.047 17.444 -26.299 289 H GLY 35 H GLY 35 -0.311 15.467 -23.164 290 HA2 GLY 35 2HA GLY 35 1.633 17.405 -23.558 291 HA3 GLY 35 3HA GLY 35 0.240 18.241 -22.887 292 H THR 36 H THR 36 2.156 18.567 -21.286 293 HA THR 36 HA THR 36 1.705 16.677 -19.099 294 HB THR 36 HB THR 36 4.231 16.964 -18.554 295 HG1 THR 36 HG1 THR 36 4.539 17.070 -21.346 296 HG21 THR 36 3HG2 THR 36 4.678 15.072 -20.372 297 HG22 THR 36 1HG2 THR 36 2.920 15.128 -20.488 298 HG23 THR 36 2HG2 THR 36 3.691 14.779 -18.941 299 H LEU 37 H LEU 37 2.135 17.542 -17.005 300 HA LEU 37 HA LEU 37 2.341 20.481 -16.947 301 HB2 LEU 37 2HB LEU 37 0.059 19.586 -16.465 302 HB3 LEU 37 3HB LEU 37 0.736 18.769 -15.057 303 HG LEU 37 HG LEU 37 -0.503 20.955 -14.658 304 HD11 LEU 37 1HD1 LEU 37 2.040 21.533 -13.459 305 HD12 LEU 37 2HD1 LEU 37 1.726 19.798 -13.425 306 HD13 LEU 37 3HD1 LEU 37 0.563 20.919 -12.715 307 HD21 LEU 37 3HD2 LEU 37 1.004 21.934 -16.660 308 HD22 LEU 37 1HD2 LEU 37 1.983 22.417 -15.275 309 HD23 LEU 37 2HD2 LEU 37 0.300 22.934 -15.388 310 H SER 38 H SER 38 3.633 21.395 -15.407 311 HA SER 38 HA SER 38 4.844 19.692 -13.368 312 HB2 SER 38 2HB SER 38 7.075 20.086 -14.000 313 HB3 SER 38 3HB SER 38 6.263 19.737 -15.526 314 HG SER 38 HG SER 38 5.992 22.183 -15.524 315 H ASN 39 H ASN 39 5.091 20.729 -11.487 316 HA ASN 39 HA ASN 39 5.646 23.525 -11.299 317 HB2 ASN 39 2HB ASN 39 3.606 24.312 -10.361 318 HB3 ASN 39 3HB ASN 39 3.165 23.448 -11.831 319 HD21 ASN 39 1HD2 ASN 39 2.980 20.931 -11.256 320 HD22 ASN 39 2HD2 ASN 39 1.882 20.617 -9.959 321 H ALA 40 H ALA 40 4.853 24.088 -8.763 322 HA ALA 40 HA ALA 40 6.757 22.883 -7.162 323 HB1 ALA 40 1HB ALA 40 4.271 24.429 -6.555 324 HB2 ALA 40 2HB ALA 40 5.220 23.725 -5.246 325 HB3 ALA 40 3HB ALA 40 5.960 24.892 -6.342 326 H GLN 41 H GLN 41 3.443 21.916 -7.785 327 HA GLN 41 HA GLN 41 3.166 20.047 -5.701 328 HB2 GLN 41 2HB GLN 41 1.682 20.858 -8.028 329 HB3 GLN 41 3HB GLN 41 1.690 19.104 -7.911 330 HG2 GLN 41 2HG GLN 41 0.946 19.372 -5.523 331 HG3 GLN 41 3HG GLN 41 0.703 21.081 -5.879 332 HE21 GLN 41 1HE2 GLN 41 -1.356 21.501 -6.166 333 HE22 GLN 41 2HE2 GLN 41 -2.494 20.511 -7.009 334 H GLY 42 H GLY 42 4.690 19.863 -8.840 335 HA2 GLY 42 2HA GLY 42 6.542 18.082 -8.678 336 HA3 GLY 42 3HA GLY 42 5.188 16.989 -8.439 337 H THR 43 H THR 43 5.476 15.777 -10.271 338 HA THR 43 HA THR 43 5.192 17.209 -12.833 339 HB THR 43 HB THR 43 6.183 14.424 -12.896 340 HG1 THR 43 HG1 THR 43 7.306 15.444 -11.083 341 HG21 THR 43 3HG2 THR 43 7.266 16.911 -14.209 342 HG22 THR 43 1HG2 THR 43 5.917 15.986 -14.866 343 HG23 THR 43 2HG2 THR 43 7.504 15.235 -14.700 344 H PHE 44 H PHE 44 3.570 16.649 -14.185 345 HA PHE 44 HA PHE 44 1.978 14.266 -13.549 346 HB2 PHE 44 2HB PHE 44 0.787 16.971 -14.186 347 HB3 PHE 44 3HB PHE 44 -0.097 15.496 -13.812 348 HD1 PHE 44 HD1 PHE 44 2.131 18.083 -12.417 349 HD2 PHE 44 HD2 PHE 44 -0.487 14.834 -11.579 350 HE1 PHE 44 HE1 PHE 44 2.158 18.682 -10.031 351 HE2 PHE 44 HE2 PHE 44 -0.465 15.427 -9.192 352 HZ PHE 44 HZ PHE 44 0.857 17.354 -8.415 353 H ALA 45 H ALA 45 0.739 13.432 -15.311 354 HA ALA 45 HA ALA 45 1.764 14.287 -17.940 355 HB1 ALA 45 1HB ALA 45 1.190 11.901 -18.622 356 HB2 ALA 45 2HB ALA 45 2.582 12.120 -17.560 357 HB3 ALA 45 3HB ALA 45 1.046 11.564 -16.896 358 H LEU 46 H LEU 46 0.352 14.640 -19.596 359 HA LEU 46 HA LEU 46 -2.515 14.380 -18.965 360 HB2 LEU 46 2HB LEU 46 -1.429 16.421 -20.866 361 HB3 LEU 46 3HB LEU 46 -2.977 16.403 -20.023 362 HG LEU 46 HG LEU 46 -0.270 17.034 -18.856 363 HD11 LEU 46 1HD1 LEU 46 -1.910 18.672 -20.229 364 HD12 LEU 46 2HD1 LEU 46 -0.856 19.206 -18.921 365 HD13 LEU 46 3HD1 LEU 46 -2.557 18.870 -18.601 366 HD21 LEU 46 3HD2 LEU 46 -2.817 16.241 -17.586 367 HD22 LEU 46 1HD2 LEU 46 -1.982 17.627 -16.883 368 HD23 LEU 46 2HD2 LEU 46 -1.158 16.073 -17.011 369 H VAL 47 H VAL 47 -3.455 12.877 -20.164 370 HA VAL 47 HA VAL 47 -2.491 12.464 -22.920 371 HB VAL 47 HB VAL 47 -2.137 10.546 -21.314 372 HG11 VAL 47 1HG1 VAL 47 -4.770 11.064 -20.623 373 HG12 VAL 47 2HG1 VAL 47 -4.853 9.569 -21.557 374 HG13 VAL 47 3HG1 VAL 47 -3.811 9.667 -20.137 375 HG21 VAL 47 3HG2 VAL 47 -2.707 8.882 -22.930 376 HG22 VAL 47 1HG2 VAL 47 -3.961 9.908 -23.626 377 HG23 VAL 47 2HG2 VAL 47 -2.262 10.345 -23.808 378 H LYS 48 H LYS 48 -4.099 11.797 -24.488 379 HA LYS 48 HA LYS 48 -6.769 12.873 -23.858 380 HB2 LYS 48 2HB LYS 48 -5.551 14.202 -25.523 381 HB3 LYS 48 3HB LYS 48 -5.339 12.770 -26.521 382 HG2 LYS 48 2HG LYS 48 -7.917 12.654 -26.501 383 HG3 LYS 48 3HG LYS 48 -7.826 14.336 -25.975 384 HD2 LYS 48 2HD LYS 48 -6.824 15.030 -27.962 385 HD3 LYS 48 3HD LYS 48 -6.309 13.395 -28.384 386 HE2 LYS 48 2HE LYS 48 -8.776 12.828 -28.575 387 HE3 LYS 48 3HE LYS 48 -9.081 14.562 -28.489 388 HZ1 LYS 48 3HZ LYS 48 -7.538 13.110 -30.565 389 HZ2 LYS 48 1HZ LYS 48 -7.560 14.797 -30.430 390 HZ3 LYS 48 2HZ LYS 48 -8.989 13.957 -30.765 391 H GLY 49 H GLY 49 -8.564 11.687 -24.339 392 HA2 GLY 49 2HA GLY 49 -8.689 9.523 -26.119 393 HA3 GLY 49 3HA GLY 49 -8.333 8.889 -24.518 394 H ALA 50 H ALA 50 -10.259 7.843 -24.193 395 HA ALA 50 HA ALA 50 -12.807 8.702 -24.791 396 HB1 ALA 50 1HB ALA 50 -12.294 7.236 -22.235 397 HB2 ALA 50 2HB ALA 50 -13.595 7.022 -23.408 398 HB3 ALA 50 3HB ALA 50 -11.965 6.464 -23.787 399 H GLY 51 H GLY 51 -13.848 10.497 -24.244 400 HA2 GLY 51 2HA GLY 51 -14.955 11.797 -22.557 401 HA3 GLY 51 3HA GLY 51 -13.607 11.471 -21.477 402 H GLY 52 H GLY 52 -11.534 12.072 -23.375 403 HA2 GLY 52 2HA GLY 52 -11.276 14.196 -24.820 404 HA3 GLY 52 3HA GLY 52 -11.796 15.003 -23.348 405 H VAL 53 H VAL 53 -10.372 15.264 -21.661 406 HA VAL 53 HA VAL 53 -7.600 14.408 -22.193 407 HB VAL 53 HB VAL 53 -6.987 16.438 -20.752 408 HG11 VAL 53 1HG1 VAL 53 -8.245 17.175 -23.375 409 HG12 VAL 53 2HG1 VAL 53 -6.764 17.796 -22.643 410 HG13 VAL 53 3HG1 VAL 53 -6.809 16.156 -23.292 411 HG21 VAL 53 3HG2 VAL 53 -8.516 18.082 -20.307 412 HG22 VAL 53 1HG2 VAL 53 -9.553 17.639 -21.663 413 HG23 VAL 53 2HG2 VAL 53 -9.557 16.663 -20.194 414 H HIS 54 H HIS 54 -6.456 13.473 -20.567 415 HA HIS 54 HA HIS 54 -7.802 13.193 -17.961 416 HB2 HIS 54 2HB HIS 54 -6.020 11.015 -18.951 417 HB3 HIS 54 3HB HIS 54 -7.416 10.923 -17.881 418 HD1 HIS 54 HD1 HIS 54 -6.639 9.457 -20.791 419 HD2 HIS 54 HD2 HIS 54 -9.710 12.099 -19.868 420 HE1 HIS 54 HE1 HIS 54 -8.407 9.069 -22.537 421 H ARG 55 H ARG 55 -6.543 13.334 -16.145 422 HA ARG 55 HA ARG 55 -3.707 14.004 -16.585 423 HB2 ARG 55 2HB ARG 55 -3.836 15.521 -14.697 424 HB3 ARG 55 3HB ARG 55 -5.071 15.937 -15.877 425 HG2 ARG 55 2HG ARG 55 -6.724 14.695 -14.498 426 HG3 ARG 55 3HG ARG 55 -5.466 14.471 -13.281 427 HD2 ARG 55 2HD ARG 55 -5.761 16.529 -12.485 428 HD3 ARG 55 3HD ARG 55 -5.655 17.234 -14.097 429 HE ARG 55 HE ARG 55 -7.928 17.404 -14.108 430 HH11 ARG 55 1HH1 ARG 55 -7.004 15.028 -11.737 431 HH12 ARG 55 2HH1 ARG 55 -8.617 14.801 -11.146 432 HH21 ARG 55 1HH2 ARG 55 -10.055 17.113 -13.339 433 HH22 ARG 55 2HH2 ARG 55 -10.352 15.986 -12.058 434 H VAL 56 H VAL 56 -2.267 12.732 -15.623 435 HA VAL 56 HA VAL 56 -2.969 11.347 -13.147 436 HB VAL 56 HB VAL 56 -1.891 9.241 -14.072 437 HG11 VAL 56 1HG1 VAL 56 -3.941 8.373 -14.611 438 HG12 VAL 56 2HG1 VAL 56 -4.434 9.870 -13.818 439 HG13 VAL 56 3HG1 VAL 56 -4.403 9.773 -15.579 440 HG21 VAL 56 3HG2 VAL 56 -1.094 10.641 -16.142 441 HG22 VAL 56 1HG2 VAL 56 -1.538 8.944 -16.323 442 HG23 VAL 56 2HG2 VAL 56 -2.680 10.208 -16.781 443 H ARG 57 H ARG 57 -1.243 10.925 -11.808 444 HA ARG 57 HA ARG 57 1.326 12.074 -12.667 445 HB2 ARG 57 2HB ARG 57 1.770 12.621 -10.392 446 HB3 ARG 57 3HB ARG 57 0.121 13.134 -10.723 447 HG2 ARG 57 2HG ARG 57 -0.690 11.045 -9.665 448 HG3 ARG 57 3HG ARG 57 0.979 10.662 -9.237 449 HD2 ARG 57 2HD ARG 57 0.187 11.670 -7.310 450 HD3 ARG 57 3HD ARG 57 0.978 13.008 -8.142 451 HE ARG 57 HE ARG 57 -1.597 13.149 -8.991 452 HH11 ARG 57 1HH1 ARG 57 -0.078 13.048 -5.860 453 HH12 ARG 57 2HH1 ARG 57 -1.312 13.985 -5.086 454 HH21 ARG 57 1HH2 ARG 57 -3.229 14.384 -7.983 455 HH22 ARG 57 2HH2 ARG 57 -3.105 14.744 -6.295 456 H VAL 58 H VAL 58 3.207 11.111 -11.271 457 HA VAL 58 HA VAL 58 3.706 8.533 -12.113 458 HB VAL 58 HB VAL 58 5.502 9.962 -11.357 459 HG11 VAL 58 1HG1 VAL 58 5.309 9.671 -8.521 460 HG12 VAL 58 2HG1 VAL 58 5.382 11.148 -9.484 461 HG13 VAL 58 3HG1 VAL 58 3.824 10.399 -9.133 462 HG21 VAL 58 3HG2 VAL 58 5.573 7.388 -11.135 463 HG22 VAL 58 1HG2 VAL 58 6.834 8.342 -10.355 464 HG23 VAL 58 2HG2 VAL 58 5.501 7.693 -9.400 465 H GLY 59 H GLY 59 2.902 6.621 -11.562 466 HA2 GLY 59 2HA GLY 59 2.523 4.941 -9.873 467 HA3 GLY 59 3HA GLY 59 2.003 6.219 -8.784 468 H ASP 60 H ASP 60 0.391 7.500 -10.913 469 HA ASP 60 HA ASP 60 -2.086 6.372 -10.341 470 HB2 ASP 60 2HB ASP 60 -1.128 8.233 -12.496 471 HB3 ASP 60 3HB ASP 60 -2.795 7.663 -12.487 472 H TYR 61 H TYR 61 -3.628 5.721 -12.264 473 HA TYR 61 HA TYR 61 -2.280 3.735 -13.959 474 HB2 TYR 61 2HB TYR 61 -4.803 3.217 -12.373 475 HB3 TYR 61 3HB TYR 61 -4.009 2.084 -13.461 476 HD1 TYR 61 HD2 TYR 61 -3.833 3.741 -10.191 477 HD2 TYR 61 HD1 TYR 61 -2.010 0.906 -12.788 478 HE1 TYR 61 HE2 TYR 61 -2.476 2.905 -8.317 479 HE2 TYR 61 HE1 TYR 61 -0.650 0.061 -10.921 480 HH TYR 61 HH TYR 61 -0.331 1.702 -7.990 481 H LEU 62 H LEU 62 -3.243 3.329 -15.940 482 HA LEU 62 HA LEU 62 -5.760 4.597 -16.614 483 HB2 LEU 62 2HB LEU 62 -3.115 5.526 -17.639 484 HB3 LEU 62 3HB LEU 62 -4.529 5.605 -18.687 485 HG LEU 62 HG LEU 62 -4.231 6.983 -16.019 486 HD11 LEU 62 1HD1 LEU 62 -4.097 8.002 -18.849 487 HD12 LEU 62 2HD1 LEU 62 -2.828 8.051 -17.626 488 HD13 LEU 62 3HD1 LEU 62 -4.276 9.038 -17.433 489 HD21 LEU 62 3HD2 LEU 62 -6.342 7.977 -17.672 490 HD22 LEU 62 1HD2 LEU 62 -6.423 7.316 -16.039 491 HD23 LEU 62 2HD2 LEU 62 -6.550 6.242 -17.433 492 H GLY 63 H GLY 63 -6.755 3.700 -18.404 493 HA2 GLY 63 2HA GLY 63 -6.957 2.334 -20.292 494 HA3 GLY 63 3HA GLY 63 -5.284 1.836 -20.083 495 H ARG 64 H ARG 64 -7.353 0.050 -20.690 496 HA ARG 64 HA ARG 64 -8.314 -1.255 -18.342 497 HB2 ARG 64 2HB ARG 64 -8.296 -1.861 -21.266 498 HB3 ARG 64 3HB ARG 64 -8.634 -3.168 -20.140 499 HG2 ARG 64 2HG ARG 64 -10.440 -1.731 -19.161 500 HG3 ARG 64 3HG ARG 64 -10.175 -0.614 -20.501 501 HD2 ARG 64 2HD ARG 64 -12.041 -2.199 -20.891 502 HD3 ARG 64 3HD ARG 64 -10.763 -2.307 -22.101 503 HE ARG 64 HE ARG 64 -10.413 -4.466 -21.457 504 HH11 ARG 64 1HH1 ARG 64 -12.089 -2.800 -18.900 505 HH12 ARG 64 2HH1 ARG 64 -12.306 -4.224 -17.937 506 HH21 ARG 64 1HH2 ARG 64 -10.692 -6.348 -20.198 507 HH22 ARG 64 2HH2 ARG 64 -11.510 -6.241 -18.676 508 H ASN 65 H ASN 65 -5.311 -1.192 -19.889 509 HA ASN 65 HA ASN 65 -4.517 -3.854 -19.020 510 HB2 ASN 65 2HB ASN 65 -2.873 -1.696 -20.362 511 HB3 ASN 65 3HB ASN 65 -2.396 -3.375 -20.128 512 HD21 ASN 65 1HD2 ASN 65 -4.421 -4.848 -20.890 513 HD22 ASN 65 2HD2 ASN 65 -4.873 -4.539 -22.529 514 H ASP 66 H ASP 66 -5.100 -1.288 -17.318 515 HA ASP 66 HA ASP 66 -4.378 -0.411 -15.347 516 HB2 ASP 66 2HB ASP 66 -3.042 -3.097 -15.373 517 HB3 ASP 66 3HB ASP 66 -2.699 -1.957 -14.076 518 H GLY 67 H GLY 67 -3.164 0.681 -17.534 519 HA2 GLY 67 2HA GLY 67 -0.367 0.650 -17.588 520 HA3 GLY 67 3HA GLY 67 -1.373 1.980 -18.140 521 H LYS 68 H LYS 68 0.639 0.770 -15.618 522 HA LYS 68 HA LYS 68 -0.006 2.908 -13.773 523 HB2 LYS 68 2HB LYS 68 0.592 0.643 -12.964 524 HB3 LYS 68 3HB LYS 68 2.200 0.842 -13.649 525 HG2 LYS 68 2HG LYS 68 2.367 2.918 -12.155 526 HG3 LYS 68 3HG LYS 68 0.969 2.249 -11.309 527 HD2 LYS 68 2HD LYS 68 2.932 1.523 -10.158 528 HD3 LYS 68 3HD LYS 68 2.269 0.129 -11.016 529 HE2 LYS 68 2HE LYS 68 3.913 0.344 -12.751 530 HE3 LYS 68 3HE LYS 68 4.494 1.865 -12.076 531 HZ1 LYS 68 3HZ LYS 68 5.906 -0.080 -11.546 532 HZ2 LYS 68 1HZ LYS 68 4.626 -0.736 -10.654 533 HZ3 LYS 68 2HZ LYS 68 5.331 0.724 -10.174 534 H VAL 69 H VAL 69 0.908 4.848 -13.778 535 HA VAL 69 HA VAL 69 2.867 5.597 -15.679 536 HB VAL 69 HB VAL 69 1.966 7.092 -13.212 537 HG11 VAL 69 1HG1 VAL 69 2.757 9.088 -14.426 538 HG12 VAL 69 2HG1 VAL 69 4.064 7.962 -14.052 539 HG13 VAL 69 3HG1 VAL 69 3.406 8.040 -15.687 540 HG21 VAL 69 3HG2 VAL 69 0.019 7.294 -14.275 541 HG22 VAL 69 1HG2 VAL 69 0.864 8.253 -15.490 542 HG23 VAL 69 2HG2 VAL 69 0.658 6.517 -15.724 543 H VAL 70 H VAL 70 4.999 5.389 -15.606 544 HA VAL 70 HA VAL 70 6.296 5.083 -12.975 545 HB VAL 70 HB VAL 70 7.939 3.618 -13.968 546 HG11 VAL 70 1HG1 VAL 70 6.396 1.739 -14.726 547 HG12 VAL 70 2HG1 VAL 70 6.095 2.424 -13.128 548 HG13 VAL 70 3HG1 VAL 70 5.073 2.881 -14.491 549 HG21 VAL 70 3HG2 VAL 70 6.428 3.987 -16.554 550 HG22 VAL 70 1HG2 VAL 70 8.035 4.617 -16.190 551 HG23 VAL 70 2HG2 VAL 70 7.773 2.876 -16.297 552 H GLY 71 H GLY 71 6.410 6.512 -16.164 553 HA2 GLY 71 2HA GLY 71 8.534 8.310 -15.202 554 HA3 GLY 71 3HA GLY 71 8.698 7.533 -16.770 555 H ILE 72 H ILE 72 8.343 10.408 -15.790 556 HA ILE 72 HA ILE 72 6.263 11.101 -17.750 557 HB ILE 72 HB ILE 72 6.647 12.411 -15.056 558 HG12 ILE 72 2HG1 ILE 72 4.195 11.040 -16.166 559 HG13 ILE 72 3HG1 ILE 72 5.385 10.214 -15.165 560 HG21 ILE 72 1HG2 ILE 72 5.838 14.258 -15.991 561 HG22 ILE 72 2HG2 ILE 72 5.572 13.430 -17.525 562 HG23 ILE 72 3HG2 ILE 72 4.331 13.386 -16.273 563 HD11 ILE 72 3HD1 ILE 72 3.467 10.936 -13.862 564 HD12 ILE 72 1HD1 ILE 72 4.935 11.763 -13.343 565 HD13 ILE 72 2HD1 ILE 72 3.755 12.607 -14.347 566 H SER 73 H SER 73 7.224 12.145 -19.355 567 HA SER 73 HA SER 73 9.510 13.894 -18.741 568 HB2 SER 73 2HB SER 73 8.818 12.894 -21.495 569 HB3 SER 73 3HB SER 73 10.372 13.468 -20.889 570 HG SER 73 HG SER 73 10.720 11.575 -19.924 571 H GLU 74 H GLU 74 9.616 15.429 -20.983 572 HA GLU 74 HA GLU 74 7.349 17.201 -20.566 573 HB2 GLU 74 2HB GLU 74 8.651 18.857 -21.773 574 HB3 GLU 74 3HB GLU 74 9.643 18.107 -20.530 575 HG2 GLU 74 2HG GLU 74 10.425 16.544 -22.434 576 HG3 GLU 74 3HG GLU 74 9.781 17.794 -23.496 577 H GLY 75 H GLY 75 8.455 14.907 -22.861 578 HA2 GLY 75 2HA GLY 75 6.214 15.632 -24.620 579 HA3 GLY 75 3HA GLY 75 7.814 15.431 -25.320 580 H LYS 76 H LYS 76 6.937 13.420 -22.657 581 HA LYS 76 HA LYS 76 5.755 11.295 -24.116 582 HB2 LYS 76 2HB LYS 76 7.655 9.703 -23.993 583 HB3 LYS 76 3HB LYS 76 7.946 11.038 -25.100 584 HG2 LYS 76 2HG LYS 76 9.269 12.156 -23.330 585 HG3 LYS 76 3HG LYS 76 9.056 10.725 -22.319 586 HD2 LYS 76 2HD LYS 76 10.259 9.363 -23.872 587 HD3 LYS 76 3HD LYS 76 10.291 10.661 -25.069 588 HE2 LYS 76 2HE LYS 76 11.660 12.008 -23.515 589 HE3 LYS 76 3HE LYS 76 11.679 10.651 -22.390 590 HZ1 LYS 76 3HZ LYS 76 13.600 10.235 -23.482 591 HZ2 LYS 76 1HZ LYS 76 13.105 10.995 -24.910 592 HZ3 LYS 76 2HZ LYS 76 12.561 9.434 -24.550 593 H ILE 77 H ILE 77 5.056 9.635 -22.781 594 HA ILE 77 HA ILE 77 5.757 9.875 -19.932 595 HB ILE 77 HB ILE 77 2.988 9.204 -20.914 596 HG12 ILE 77 2HG1 ILE 77 3.493 11.491 -21.587 597 HG13 ILE 77 3HG1 ILE 77 2.359 11.501 -20.241 598 HG21 ILE 77 1HG2 ILE 77 2.317 9.454 -18.654 599 HG22 ILE 77 2HG2 ILE 77 3.757 8.436 -18.643 600 HG23 ILE 77 3HG2 ILE 77 3.877 10.138 -18.195 601 HD11 ILE 77 3HD1 ILE 77 5.027 11.606 -19.232 602 HD12 ILE 77 1HD1 ILE 77 4.805 12.855 -20.456 603 HD13 ILE 77 2HD1 ILE 77 3.722 12.780 -19.066 604 H ASP 78 H ASP 78 6.695 8.068 -19.272 605 HA ASP 78 HA ASP 78 6.230 5.569 -20.684 606 HB2 ASP 78 2HB ASP 78 8.185 6.407 -18.545 607 HB3 ASP 78 3HB ASP 78 8.025 4.733 -19.070 608 H VAL 79 H VAL 79 4.923 4.005 -19.998 609 HA VAL 79 HA VAL 79 4.232 3.836 -17.158 610 HB VAL 79 HB VAL 79 1.876 3.673 -17.555 611 HG11 VAL 79 1HG1 VAL 79 2.498 6.044 -19.234 612 HG12 VAL 79 2HG1 VAL 79 1.436 5.895 -17.832 613 HG13 VAL 79 3HG1 VAL 79 3.185 5.973 -17.612 614 HG21 VAL 79 3HG2 VAL 79 2.724 3.298 -20.319 615 HG22 VAL 79 1HG2 VAL 79 1.248 2.778 -19.505 616 HG23 VAL 79 2HG2 VAL 79 1.367 4.413 -20.154 617 H ILE 80 H ILE 80 3.420 1.781 -16.506 618 HA ILE 80 HA ILE 80 4.301 -0.381 -18.278 619 HB ILE 80 HB ILE 80 3.999 -0.132 -15.317 620 HG12 ILE 80 2HG1 ILE 80 6.169 0.223 -16.555 621 HG13 ILE 80 3HG1 ILE 80 6.228 -0.998 -15.289 622 HG21 ILE 80 1HG2 ILE 80 2.719 -2.083 -15.639 623 HG22 ILE 80 2HG2 ILE 80 3.806 -2.684 -16.890 624 HG23 ILE 80 3HG2 ILE 80 4.335 -2.645 -15.208 625 HD11 ILE 80 3HD1 ILE 80 6.126 -2.759 -16.912 626 HD12 ILE 80 1HD1 ILE 80 5.881 -1.597 -18.215 627 HD13 ILE 80 2HD1 ILE 80 7.418 -1.643 -17.352 628 H GLU 81 H GLU 81 2.804 -1.395 -19.425 629 HA GLU 81 HA GLU 81 0.068 -1.559 -18.349 630 HB2 GLU 81 2HB GLU 81 0.996 -1.718 -21.223 631 HB3 GLU 81 3HB GLU 81 -0.672 -1.835 -20.680 632 HG2 GLU 81 2HG GLU 81 -0.829 0.353 -20.940 633 HG3 GLU 81 3HG GLU 81 0.271 0.537 -19.576 634 H ILE 82 H ILE 82 -1.117 -3.517 -18.671 635 HA ILE 82 HA ILE 82 0.626 -5.876 -18.670 636 HB ILE 82 HB ILE 82 -2.264 -5.755 -17.817 637 HG12 ILE 82 2HG1 ILE 82 -0.938 -4.206 -16.450 638 HG13 ILE 82 3HG1 ILE 82 -1.438 -5.607 -15.509 639 HG21 ILE 82 1HG2 ILE 82 -0.785 -7.721 -16.441 640 HG22 ILE 82 2HG2 ILE 82 -2.058 -7.955 -17.637 641 HG23 ILE 82 3HG2 ILE 82 -0.373 -7.867 -18.149 642 HD11 ILE 82 3HD1 ILE 82 0.813 -5.112 -14.949 643 HD12 ILE 82 1HD1 ILE 82 0.819 -6.583 -15.920 644 HD13 ILE 82 2HD1 ILE 82 1.284 -5.045 -16.647 645 H VAL 83 H VAL 83 0.531 -7.377 -20.224 646 HA VAL 83 HA VAL 83 -1.788 -7.442 -22.017 647 HB VAL 83 HB VAL 83 -0.166 -7.778 -23.949 648 HG11 VAL 83 1HG1 VAL 83 -1.525 -5.740 -23.582 649 HG12 VAL 83 2HG1 VAL 83 -0.184 -5.048 -22.667 650 HG13 VAL 83 3HG1 VAL 83 0.013 -5.414 -24.381 651 HG21 VAL 83 3HG2 VAL 83 1.742 -6.500 -21.992 652 HG22 VAL 83 1HG2 VAL 83 1.847 -8.145 -22.618 653 HG23 VAL 83 2HG2 VAL 83 2.051 -6.773 -23.707 654 HA PRO 84 HA PRO 84 -1.447 -11.808 -21.704 655 HB2 PRO 84 2HB PRO 84 -2.367 -12.587 -24.136 656 HB3 PRO 84 3HB PRO 84 -3.419 -11.928 -22.878 657 HG2 PRO 84 2HG PRO 84 -2.233 -10.562 -25.263 658 HG3 PRO 84 3HG PRO 84 -3.876 -10.443 -24.608 659 HD2 PRO 84 2HD PRO 84 -1.984 -8.562 -24.147 660 HD3 PRO 84 3HD PRO 84 -3.247 -8.955 -22.964 661 H ASP 85 H ASP 85 -0.436 -13.729 -22.657 662 HA ASP 85 HA ASP 85 2.076 -13.022 -23.985 663 HB2 ASP 85 2HB ASP 85 2.136 -14.305 -21.843 664 HB3 ASP 85 3HB ASP 85 1.308 -15.629 -22.658 665 H GLY 86 H GLY 86 -0.850 -14.863 -24.427 666 HA2 GLY 86 2HA GLY 86 -1.224 -14.986 -26.991 667 HA3 GLY 86 3HA GLY 86 0.201 -16.013 -26.920 668 H GLU 87 H GLU 87 -0.938 -16.870 -24.158 669 HA GLU 87 HA GLU 87 -2.871 -18.812 -25.244 670 HB2 GLU 87 2HB GLU 87 -1.956 -20.523 -23.917 671 HB3 GLU 87 3HB GLU 87 -0.561 -19.685 -24.583 672 HG2 GLU 87 2HG GLU 87 -0.339 -18.436 -22.471 673 HG3 GLU 87 3HG GLU 87 -1.683 -19.365 -21.809 674 H GLY 88 H GLY 88 -1.996 -16.705 -22.592 675 HA2 GLY 88 2HA GLY 88 -4.508 -16.036 -21.775 676 HA3 GLY 88 3HA GLY 88 -4.176 -17.524 -20.901 677 H ASN 89 H ASN 89 -1.330 -16.996 -20.629 678 HA ASN 89 HA ASN 89 -1.367 -15.615 -18.178 679 HB2 ASN 89 2HB ASN 89 1.051 -16.145 -19.916 680 HB3 ASN 89 3HB ASN 89 1.036 -15.872 -18.177 681 HD21 ASN 89 1HD2 ASN 89 0.456 -18.123 -20.731 682 HD22 ASN 89 2HD2 ASN 89 0.248 -19.520 -19.737 683 H TRP 90 H TRP 90 -0.249 -13.647 -17.610 684 HA TRP 90 HA TRP 90 -0.295 -11.668 -19.794 685 HB2 TRP 90 2HB TRP 90 -0.790 -11.196 -16.846 686 HB3 TRP 90 3HB TRP 90 -0.880 -9.985 -18.122 687 HD1 TRP 90 HD1 TRP 90 -2.789 -12.995 -16.715 688 HE1 TRP 90 HE1 TRP 90 -5.202 -12.924 -17.608 689 HE3 TRP 90 HE3 TRP 90 -2.312 -9.138 -20.037 690 HZ2 TRP 90 HZ2 TRP 90 -6.704 -11.430 -19.474 691 HZ3 TRP 90 HZ3 TRP 90 -4.284 -8.450 -21.336 692 HH2 TRP 90 HH2 TRP 90 -6.434 -9.574 -21.060 693 H LEU 91 H LEU 91 1.142 -9.750 -19.389 694 HA LEU 91 HA LEU 91 3.454 -10.198 -17.714 695 HB2 LEU 91 2HB LEU 91 3.578 -11.288 -20.193 696 HB3 LEU 91 3HB LEU 91 4.223 -9.678 -20.505 697 HG LEU 91 HG LEU 91 5.957 -10.053 -18.810 698 HD11 LEU 91 1HD1 LEU 91 4.381 -12.517 -18.360 699 HD12 LEU 91 2HD1 LEU 91 5.279 -11.517 -17.219 700 HD13 LEU 91 3HD1 LEU 91 6.136 -12.653 -18.260 701 HD21 LEU 91 3HD2 LEU 91 5.658 -11.927 -21.119 702 HD22 LEU 91 1HD2 LEU 91 7.055 -12.058 -20.049 703 HD23 LEU 91 2HD2 LEU 91 6.749 -10.555 -20.920 704 H GLU 92 H GLU 92 4.983 -8.358 -17.811 705 HA GLU 92 HA GLU 92 3.527 -5.885 -17.881 706 HB2 GLU 92 2HB GLU 92 5.603 -4.876 -17.074 707 HB3 GLU 92 3HB GLU 92 5.203 -6.315 -16.147 708 HG2 GLU 92 2HG GLU 92 6.786 -7.507 -17.834 709 HG3 GLU 92 3HG GLU 92 7.403 -5.879 -18.109 710 H ARG 93 H ARG 93 3.941 -4.077 -19.178 711 HA ARG 93 HA ARG 93 5.733 -4.379 -21.454 712 HB2 ARG 93 2HB ARG 93 3.287 -5.230 -21.925 713 HB3 ARG 93 3HB ARG 93 2.934 -3.511 -22.050 714 HG2 ARG 93 2HG ARG 93 3.360 -4.217 -24.240 715 HG3 ARG 93 3HG ARG 93 4.834 -3.393 -23.727 716 HD2 ARG 93 2HD ARG 93 6.055 -5.312 -23.683 717 HD3 ARG 93 3HD ARG 93 4.671 -6.310 -23.239 718 HE ARG 93 HE ARG 93 4.378 -6.758 -25.451 719 HH11 ARG 93 1HH1 ARG 93 6.159 -3.781 -25.160 720 HH12 ARG 93 2HH1 ARG 93 6.396 -3.604 -26.867 721 HH21 ARG 93 1HH2 ARG 93 4.683 -6.536 -27.700 722 HH22 ARG 93 2HH2 ARG 93 5.555 -5.171 -28.311 723 HA PRO 94 HA PRO 94 5.903 -0.135 -19.772 724 HB2 PRO 94 2HB PRO 94 8.513 0.234 -20.421 725 HB3 PRO 94 3HB PRO 94 7.998 -0.592 -18.946 726 HG2 PRO 94 2HG PRO 94 8.914 -1.756 -21.547 727 HG3 PRO 94 3HG PRO 94 9.327 -2.248 -19.894 728 HD2 PRO 94 2HD PRO 94 7.483 -3.556 -21.386 729 HD3 PRO 94 3HD PRO 94 7.363 -3.424 -19.619 730 H ARG 95 H ARG 95 4.611 0.851 -21.315 731 HA ARG 95 HA ARG 95 5.849 1.406 -23.925 732 HB2 ARG 95 2HB ARG 95 2.944 1.707 -23.150 733 HB3 ARG 95 3HB ARG 95 3.625 1.836 -24.766 734 HG2 ARG 95 2HG ARG 95 4.214 -0.519 -24.731 735 HG3 ARG 95 3HG ARG 95 3.593 -0.662 -23.085 736 HD2 ARG 95 2HD ARG 95 1.990 -1.482 -24.757 737 HD3 ARG 95 3HD ARG 95 1.361 -0.109 -23.848 738 HE ARG 95 HE ARG 95 2.503 0.968 -26.102 739 HH11 ARG 95 1HH1 ARG 95 -0.001 -1.353 -25.418 740 HH12 ARG 95 2HH1 ARG 95 -0.907 -0.993 -26.850 741 HH21 ARG 95 1HH2 ARG 95 1.319 1.451 -27.991 742 HH22 ARG 95 2HH2 ARG 95 -0.154 0.602 -28.314 743 H SER 96 H SER 96 6.104 3.483 -24.647 744 HA SER 96 HA SER 96 5.620 5.597 -22.655 745 HB2 SER 96 2HB SER 96 7.437 6.516 -24.625 746 HB3 SER 96 3HB SER 96 7.775 6.138 -22.936 747 HG SER 96 HG SER 96 7.969 4.432 -25.186 748 H LEU 97 H LEU 97 4.128 7.058 -23.128 749 HA LEU 97 HA LEU 97 3.098 7.217 -25.853 750 HB2 LEU 97 2HB LEU 97 2.020 8.681 -23.467 751 HB3 LEU 97 3HB LEU 97 1.184 8.243 -24.955 752 HG LEU 97 HG LEU 97 1.779 5.789 -23.994 753 HD11 LEU 97 1HD1 LEU 97 2.599 6.054 -21.915 754 HD12 LEU 97 2HD1 LEU 97 0.898 6.241 -21.488 755 HD13 LEU 97 3HD1 LEU 97 1.908 7.667 -21.730 756 HD21 LEU 97 3HD2 LEU 97 -0.601 6.095 -22.859 757 HD22 LEU 97 1HD2 LEU 97 -0.396 6.044 -24.610 758 HD23 LEU 97 2HD2 LEU 97 -0.566 7.595 -23.787 759 H THR 98 H THR 98 4.269 8.541 -27.105 760 HA THR 98 HA THR 98 5.466 10.953 -26.057 761 HB THR 98 HB THR 98 6.255 11.303 -28.390 762 HG1 THR 98 HG1 THR 98 5.706 9.871 -29.968 763 HG21 THR 98 3HG2 THR 98 7.124 8.587 -28.191 764 HG22 THR 98 1HG2 THR 98 7.004 9.271 -26.570 765 HG23 THR 98 2HG2 THR 98 8.004 10.061 -27.789 766 H LEU 99 H LEU 99 5.097 13.069 -26.993 767 HA LEU 99 HA LEU 99 2.495 13.936 -26.906 768 HB2 LEU 99 2HB LEU 99 4.942 15.114 -27.255 769 HB3 LEU 99 3HB LEU 99 4.140 15.458 -28.786 770 HG LEU 99 HG LEU 99 2.236 16.146 -26.917 771 HD11 LEU 99 1HD1 LEU 99 4.369 15.876 -25.344 772 HD12 LEU 99 2HD1 LEU 99 3.142 17.115 -25.081 773 HD13 LEU 99 3HD1 LEU 99 4.648 17.526 -25.902 774 HD21 LEU 99 3HD2 LEU 99 2.759 18.436 -27.566 775 HD22 LEU 99 1HD2 LEU 99 2.815 17.359 -28.961 776 HD23 LEU 99 2HD2 LEU 99 4.314 17.910 -28.212 777 H LYS 100 H LYS 100 0.830 14.176 -28.310 778 HA LYS 100 HA LYS 100 0.507 12.494 -30.464 779 HB2 LYS 100 2HB LYS 100 -0.870 14.920 -29.479 780 HB3 LYS 100 3HB LYS 100 -1.182 14.491 -31.155 781 HG2 LYS 100 2HG LYS 100 -1.896 12.260 -30.450 782 HG3 LYS 100 3HG LYS 100 -1.593 12.701 -28.768 783 HD2 LYS 100 2HD LYS 100 -3.477 14.246 -30.533 784 HD3 LYS 100 3HD LYS 100 -3.998 12.859 -29.574 785 HE2 LYS 100 2HE LYS 100 -4.454 14.548 -28.103 786 HE3 LYS 100 3HE LYS 100 -2.793 14.181 -27.638 787 HZ1 LYS 100 3HZ LYS 100 -3.756 16.625 -28.373 788 HZ2 LYS 100 1HZ LYS 100 -2.928 16.100 -29.752 789 HZ3 LYS 100 2HZ LYS 100 -2.125 16.191 -28.266 790 H GLU 101 H GLU 101 1.712 12.387 -32.241 791 HA GLU 101 HA GLU 101 1.964 14.713 -33.939 792 HB2 GLU 101 2HB GLU 101 4.362 14.699 -34.101 793 HB3 GLU 101 3HB GLU 101 3.924 14.869 -32.407 794 HG2 GLU 101 2HG GLU 101 4.222 12.326 -32.280 795 HG3 GLU 101 3HG GLU 101 5.063 12.491 -33.820 796 H ARG 102 H ARG 102 3.775 13.825 -35.764 797 HA ARG 102 HA ARG 102 2.339 12.095 -37.364 798 HB2 ARG 102 2HB ARG 102 4.386 11.838 -38.691 799 HB3 ARG 102 3HB ARG 102 4.140 13.512 -38.213 800 HG2 ARG 102 2HG ARG 102 5.810 11.885 -36.410 801 HG3 ARG 102 3HG ARG 102 6.485 12.234 -38.003 802 HD2 ARG 102 2HD ARG 102 5.578 14.673 -37.360 803 HD3 ARG 102 3HD ARG 102 5.897 14.048 -35.742 804 HE ARG 102 HE ARG 102 8.147 14.152 -36.175 805 HH11 ARG 102 1HH1 ARG 102 6.377 14.511 -39.151 806 HH12 ARG 102 2HH1 ARG 102 7.772 14.946 -40.081 807 HH21 ARG 102 1HH2 ARG 102 9.992 14.725 -37.388 808 HH22 ARG 102 2HH2 ARG 102 9.828 15.067 -39.077 809 H SER 103 H SER 103 2.436 9.907 -37.838 810 HA SER 103 HA SER 103 3.556 8.248 -35.695 811 HB2 SER 103 2HB SER 103 1.875 6.707 -36.091 812 HB3 SER 103 3HB SER 103 1.055 8.205 -36.532 813 HG SER 103 HG SER 103 1.459 6.082 -38.043 814 H LEU 104 H LEU 104 3.961 5.870 -36.690 815 HA LEU 104 HA LEU 104 5.545 6.105 -39.140 816 HB2 LEU 104 2HB LEU 104 7.439 4.973 -38.136 817 HB3 LEU 104 3HB LEU 104 7.093 6.483 -37.295 818 HG LEU 104 HG LEU 104 6.039 3.901 -36.214 819 HD11 LEU 104 1HD1 LEU 104 8.006 3.193 -35.381 820 HD12 LEU 104 2HD1 LEU 104 8.627 4.829 -35.163 821 HD13 LEU 104 3HD1 LEU 104 8.674 4.073 -36.755 822 HD21 LEU 104 3HD2 LEU 104 6.135 6.647 -35.411 823 HD22 LEU 104 1HD2 LEU 104 7.003 5.655 -34.239 824 HD23 LEU 104 2HD2 LEU 104 5.324 5.286 -34.636 825 H GLU 105 H GLU 105 6.112 4.020 -40.080 826 HA GLU 105 HA GLU 105 4.318 1.851 -39.212 827 HB2 GLU 105 2HB GLU 105 4.105 1.256 -41.646 828 HB3 GLU 105 3HB GLU 105 3.329 2.763 -41.181 829 HG2 GLU 105 2HG GLU 105 5.046 4.059 -42.168 830 HG3 GLU 105 3HG GLU 105 6.075 2.645 -42.390 831 H HIS 106 H HIS 106 6.538 1.495 -38.085 832 HA HIS 106 HA HIS 106 7.723 -0.778 -39.253 833 HB2 HIS 106 2HB HIS 106 9.919 0.001 -39.804 834 HB3 HIS 106 3HB HIS 106 8.771 1.022 -40.665 835 HD1 HIS 106 HD1 HIS 106 11.068 1.091 -37.668 836 HD2 HIS 106 HD2 HIS 106 8.943 3.703 -40.102 837 HE1 HIS 106 HE1 HIS 106 11.827 3.395 -37.006 838 H HIS 107 H HIS 107 9.008 -1.901 -37.802 839 HA HIS 107 HA HIS 107 9.599 -0.596 -35.241 840 HB2 HIS 107 2HB HIS 107 7.930 -3.041 -35.696 841 HB3 HIS 107 3HB HIS 107 8.890 -2.912 -34.226 842 HD1 HIS 107 HD1 HIS 107 8.460 -0.289 -33.108 843 HD2 HIS 107 HD2 HIS 107 5.425 -2.186 -35.218 844 HE1 HIS 107 HE1 HIS 107 6.328 0.812 -32.355 845 H HIS 108 H HIS 108 11.638 -0.913 -34.659 846 HA HIS 108 HA HIS 108 13.001 -3.364 -35.549 847 HB2 HIS 108 2HB HIS 108 13.803 -0.525 -35.935 848 HB3 HIS 108 3HB HIS 108 15.076 -1.679 -35.547 849 HD1 HIS 108 HD1 HIS 108 14.837 -3.968 -37.208 850 HD2 HIS 108 HD2 HIS 108 13.473 -0.297 -38.596 851 HE1 HIS 108 HE1 HIS 108 14.750 -4.186 -39.711 852 H HIS 109 H HIS 109 15.198 -3.542 -34.324 853 HA HIS 109 HA HIS 109 14.561 -3.274 -31.483 854 HB2 HIS 109 2HB HIS 109 16.521 -4.965 -33.020 855 HB3 HIS 109 3HB HIS 109 16.639 -4.785 -31.272 856 HD1 HIS 109 HD1 HIS 109 14.572 -5.702 -29.871 857 HD2 HIS 109 HD2 HIS 109 14.638 -6.765 -33.887 858 HE1 HIS 109 HE1 HIS 109 12.946 -7.608 -30.089 859 H HIS 110 H HIS 110 15.030 -1.103 -31.123 860 HA HIS 110 HA HIS 110 17.782 -0.224 -31.626 861 HB2 HIS 110 2HB HIS 110 16.955 2.038 -31.168 862 HB3 HIS 110 3HB HIS 110 15.997 1.261 -32.424 863 HD1 HIS 110 HD1 HIS 110 13.525 1.054 -32.022 864 HD2 HIS 110 HD2 HIS 110 15.611 2.210 -28.619 865 HE1 HIS 110 HE1 HIS 110 11.767 1.661 -30.329 866 H HIS 111 H HIS 111 18.494 1.439 -29.811 867 HA HIS 111 HA HIS 111 19.117 -0.044 -27.540 868 HB2 HIS 111 2HB HIS 111 20.237 2.082 -28.441 869 HB3 HIS 111 3HB HIS 111 19.001 2.967 -27.552 870 HD1 HIS 111 HD1 HIS 111 19.963 3.808 -25.447 871 HD2 HIS 111 HD2 HIS 111 21.411 0.030 -26.392 872 HE1 HIS 111 HE1 HIS 111 21.493 3.181 -23.552 Start of MODEL 19 1 H1 ASP 1 H ASP 1 12.489 0.445 -15.658 2 HA ASP 1 HA ASP 1 12.803 1.812 -18.178 3 HB2 ASP 1 2HB ASP 1 13.693 2.482 -15.798 4 HB3 ASP 1 3HB ASP 1 15.047 1.442 -16.231 5 H LEU 2 H LEU 2 14.595 -0.775 -16.500 6 HA LEU 2 HA LEU 2 15.290 -1.883 -19.130 7 HB2 LEU 2 2HB LEU 2 17.546 -2.289 -18.470 8 HB3 LEU 2 3HB LEU 2 17.191 -0.582 -18.212 9 HG LEU 2 HG LEU 2 16.929 -2.450 -15.907 10 HD11 LEU 2 1HD1 LEU 2 19.393 -1.914 -15.450 11 HD12 LEU 2 2HD1 LEU 2 19.505 -1.595 -17.180 12 HD13 LEU 2 3HD1 LEU 2 19.025 -3.192 -16.607 13 HD21 LEU 2 3HD2 LEU 2 16.442 -0.416 -15.087 14 HD22 LEU 2 1HD2 LEU 2 17.240 0.424 -16.417 15 HD23 LEU 2 2HD2 LEU 2 18.192 -0.197 -15.069 16 H THR 3 H THR 3 15.856 -4.156 -19.087 17 HA THR 3 HA THR 3 15.452 -6.326 -18.527 18 HB THR 3 HB THR 3 15.361 -5.575 -15.623 19 HG1 THR 3 HG1 THR 3 17.664 -5.552 -15.674 20 HG21 THR 3 3HG2 THR 3 15.983 -7.725 -15.240 21 HG22 THR 3 1HG2 THR 3 16.988 -7.808 -16.687 22 HG23 THR 3 2HG2 THR 3 15.237 -7.974 -16.818 23 H VAL 4 H VAL 4 13.212 -4.852 -19.201 24 HA VAL 4 HA VAL 4 11.151 -5.723 -17.293 25 HB VAL 4 HB VAL 4 10.816 -3.827 -19.619 26 HG11 VAL 4 1HG1 VAL 4 9.039 -4.842 -17.456 27 HG12 VAL 4 2HG1 VAL 4 8.824 -3.184 -18.022 28 HG13 VAL 4 3HG1 VAL 4 8.685 -4.529 -19.155 29 HG21 VAL 4 3HG2 VAL 4 12.171 -2.550 -18.293 30 HG22 VAL 4 1HG2 VAL 4 10.612 -2.195 -17.549 31 HG23 VAL 4 2HG2 VAL 4 11.692 -3.379 -16.813 32 H ARG 5 H ARG 5 12.333 -6.128 -20.542 33 HA ARG 5 HA ARG 5 10.074 -7.395 -21.661 34 HB2 ARG 5 2HB ARG 5 13.008 -7.474 -22.340 35 HB3 ARG 5 3HB ARG 5 11.811 -8.374 -23.262 36 HG2 ARG 5 2HG ARG 5 10.774 -6.425 -24.038 37 HG3 ARG 5 3HG ARG 5 11.561 -5.420 -22.819 38 HD2 ARG 5 2HD ARG 5 13.757 -6.103 -23.937 39 HD3 ARG 5 3HD ARG 5 12.756 -6.675 -25.271 40 HE ARG 5 HE ARG 5 11.906 -4.126 -24.863 41 HH11 ARG 5 1HH1 ARG 5 15.010 -5.592 -25.442 42 HH12 ARG 5 2HH1 ARG 5 15.659 -4.207 -26.255 43 HH21 ARG 5 1HH2 ARG 5 12.749 -2.295 -25.932 44 HH22 ARG 5 2HH2 ARG 5 14.372 -2.332 -26.533 45 H GLN 6 H GLN 6 9.179 -9.060 -20.576 46 HA GLN 6 HA GLN 6 10.870 -11.148 -19.453 47 HB2 GLN 6 2HB GLN 6 7.868 -10.802 -19.383 48 HB3 GLN 6 3HB GLN 6 8.772 -12.038 -18.518 49 HG2 GLN 6 2HG GLN 6 10.036 -9.947 -17.539 50 HG3 GLN 6 3HG GLN 6 8.539 -9.127 -17.980 51 HE21 GLN 6 1HE2 GLN 6 6.523 -10.245 -17.218 52 HE22 GLN 6 2HE2 GLN 6 6.550 -10.909 -15.623 53 H LYS 7 H LYS 7 11.515 -12.736 -20.737 54 HA LYS 7 HA LYS 7 9.669 -13.695 -22.826 55 HB2 LYS 7 2HB LYS 7 11.929 -12.621 -23.482 56 HB3 LYS 7 3HB LYS 7 12.647 -14.113 -22.888 57 HG2 LYS 7 2HG LYS 7 12.427 -14.596 -25.109 58 HG3 LYS 7 3HG LYS 7 10.903 -15.232 -24.487 59 HD2 LYS 7 2HD LYS 7 10.324 -13.995 -26.405 60 HD3 LYS 7 3HD LYS 7 9.908 -12.956 -25.039 61 HE2 LYS 7 2HE LYS 7 11.677 -11.519 -25.429 62 HE3 LYS 7 3HE LYS 7 12.603 -12.732 -26.310 63 HZ1 LYS 7 3HZ LYS 7 10.436 -11.001 -27.253 64 HZ2 LYS 7 1HZ LYS 7 10.597 -12.532 -27.957 65 HZ3 LYS 7 2HZ LYS 7 11.881 -11.433 -28.018 66 H GLY 8 H GLY 8 8.639 -15.279 -21.636 67 HA2 GLY 8 2HA GLY 8 8.620 -17.667 -21.374 68 HA3 GLY 8 3HA GLY 8 10.327 -17.595 -20.964 69 H ASN 9 H ASN 9 7.232 -16.270 -19.786 70 HA ASN 9 HA ASN 9 7.893 -17.233 -17.111 71 HB2 ASN 9 2HB ASN 9 8.550 -14.701 -17.614 72 HB3 ASN 9 3HB ASN 9 6.840 -14.448 -17.276 73 HD21 ASN 9 1HD2 ASN 9 7.475 -13.229 -15.444 74 HD22 ASN 9 2HD2 ASN 9 7.964 -14.017 -13.987 75 H LYS 10 H LYS 10 5.956 -16.690 -15.591 76 HA LYS 10 HA LYS 10 3.730 -18.079 -16.447 77 HB2 LYS 10 2HB LYS 10 2.556 -17.077 -14.502 78 HB3 LYS 10 3HB LYS 10 4.147 -17.707 -14.097 79 HG2 LYS 10 2HG LYS 10 4.561 -15.032 -14.787 80 HG3 LYS 10 3HG LYS 10 3.100 -15.049 -13.796 81 HD2 LYS 10 2HD LYS 10 5.694 -16.384 -13.030 82 HD3 LYS 10 3HD LYS 10 5.206 -14.775 -12.493 83 HE2 LYS 10 2HE LYS 10 3.725 -17.351 -11.969 84 HE3 LYS 10 3HE LYS 10 4.705 -16.464 -10.803 85 HZ1 LYS 10 3HZ LYS 10 3.060 -14.544 -11.499 86 HZ2 LYS 10 1HZ LYS 10 2.667 -15.652 -10.283 87 HZ3 LYS 10 2HZ LYS 10 2.044 -15.853 -11.842 88 H VAL 11 H VAL 11 1.481 -17.279 -16.687 89 HA VAL 11 HA VAL 11 1.333 -14.642 -17.975 90 HB VAL 11 HB VAL 11 -0.043 -15.508 -19.770 91 HG11 VAL 11 1HG1 VAL 11 1.632 -16.571 -21.051 92 HG12 VAL 11 2HG1 VAL 11 2.486 -15.526 -19.914 93 HG13 VAL 11 3HG1 VAL 11 2.394 -17.263 -19.619 94 HG21 VAL 11 3HG2 VAL 11 0.243 -18.251 -19.759 95 HG22 VAL 11 1HG2 VAL 11 -0.112 -17.870 -18.074 96 HG23 VAL 11 2HG2 VAL 11 -1.221 -17.359 -19.346 97 H ILE 12 H ILE 12 -0.729 -13.654 -17.943 98 HA ILE 12 HA ILE 12 -2.748 -14.941 -16.242 99 HB ILE 12 HB ILE 12 -3.165 -12.688 -15.179 100 HG12 ILE 12 2HG1 ILE 12 -0.351 -12.062 -16.062 101 HG13 ILE 12 3HG1 ILE 12 -1.759 -11.491 -16.950 102 HG21 ILE 12 1HG2 ILE 12 -2.125 -14.456 -13.927 103 HG22 ILE 12 2HG2 ILE 12 -0.557 -14.101 -14.651 104 HG23 ILE 12 3HG2 ILE 12 -1.306 -12.939 -13.555 105 HD11 ILE 12 3HD1 ILE 12 -0.663 -10.615 -14.360 106 HD12 ILE 12 1HD1 ILE 12 -1.466 -9.692 -15.630 107 HD13 ILE 12 2HD1 ILE 12 -2.420 -10.654 -14.501 108 H LYS 13 H LYS 13 -4.739 -13.263 -16.183 109 HA LYS 13 HA LYS 13 -5.224 -12.406 -18.959 110 HB2 LYS 13 2HB LYS 13 -7.663 -13.084 -18.456 111 HB3 LYS 13 3HB LYS 13 -6.504 -14.354 -18.828 112 HG2 LYS 13 2HG LYS 13 -6.270 -14.870 -16.472 113 HG3 LYS 13 3HG LYS 13 -7.366 -13.550 -16.056 114 HD2 LYS 13 2HD LYS 13 -8.539 -15.680 -16.005 115 HD3 LYS 13 3HD LYS 13 -9.162 -14.664 -17.307 116 HE2 LYS 13 2HE LYS 13 -8.038 -15.921 -18.957 117 HE3 LYS 13 3HE LYS 13 -7.031 -16.735 -17.761 118 HZ1 LYS 13 3HZ LYS 13 -9.045 -17.820 -16.909 119 HZ2 LYS 13 1HZ LYS 13 -8.747 -18.212 -18.527 120 HZ3 LYS 13 2HZ LYS 13 -9.955 -17.095 -18.137 121 HA PRO 14 HA PRO 14 -6.601 -8.553 -17.372 122 HB2 PRO 14 2HB PRO 14 -8.607 -7.926 -19.090 123 HB3 PRO 14 3HB PRO 14 -6.901 -7.884 -19.549 124 HG2 PRO 14 2HG PRO 14 -8.946 -10.009 -20.059 125 HG3 PRO 14 3HG PRO 14 -7.715 -9.355 -21.155 126 HD2 PRO 14 2HD PRO 14 -7.406 -11.711 -19.857 127 HD3 PRO 14 3HD PRO 14 -6.038 -10.649 -20.246 128 H ASP 15 H ASP 15 -8.407 -7.409 -16.399 129 HA ASP 15 HA ASP 15 -10.717 -9.077 -15.710 130 HB2 ASP 15 2HB ASP 15 -8.759 -9.017 -13.943 131 HB3 ASP 15 3HB ASP 15 -9.450 -7.446 -13.547 132 H GLU 16 H GLU 16 -12.225 -7.886 -16.752 133 HA GLU 16 HA GLU 16 -12.257 -4.985 -16.379 134 HB2 GLU 16 2HB GLU 16 -13.969 -4.981 -18.147 135 HB3 GLU 16 3HB GLU 16 -12.493 -5.780 -18.667 136 HG2 GLU 16 2HG GLU 16 -13.468 -7.836 -18.763 137 HG3 GLU 16 3HG GLU 16 -14.653 -7.456 -17.514 138 H THR 17 H THR 17 -12.996 -6.960 -14.279 139 HA THR 17 HA THR 17 -15.787 -6.111 -13.848 140 HB THR 17 HB THR 17 -16.098 -8.079 -12.436 141 HG1 THR 17 HG1 THR 17 -14.462 -9.335 -11.877 142 HG21 THR 17 3HG2 THR 17 -15.898 -9.834 -14.191 143 HG22 THR 17 1HG2 THR 17 -14.976 -8.695 -15.170 144 HG23 THR 17 2HG2 THR 17 -16.657 -8.350 -14.765 145 H ARG 18 H ARG 18 -12.566 -6.213 -12.586 146 HA ARG 18 HA ARG 18 -13.124 -5.678 -9.874 147 HB2 ARG 18 2HB ARG 18 -10.712 -5.152 -11.604 148 HB3 ARG 18 3HB ARG 18 -10.751 -4.731 -9.897 149 HG2 ARG 18 2HG ARG 18 -11.040 -7.026 -9.273 150 HG3 ARG 18 3HG ARG 18 -11.221 -7.505 -10.962 151 HD2 ARG 18 2HD ARG 18 -9.027 -7.971 -10.825 152 HD3 ARG 18 3HD ARG 18 -8.829 -6.232 -11.038 153 HE ARG 18 HE ARG 18 -9.144 -6.834 -8.301 154 HH11 ARG 18 1HH1 ARG 18 -6.846 -7.121 -10.899 155 HH12 ARG 18 2HH1 ARG 18 -5.464 -7.082 -9.855 156 HH21 ARG 18 1HH2 ARG 18 -7.333 -6.782 -6.915 157 HH22 ARG 18 2HH2 ARG 18 -5.742 -6.890 -7.589 158 H VAL 19 H VAL 19 -12.987 -3.654 -12.704 159 HA VAL 19 HA VAL 19 -14.266 -1.495 -11.353 160 HB VAL 19 HB VAL 19 -12.042 -1.018 -10.531 161 HG11 VAL 19 1HG1 VAL 19 -11.227 -1.989 -13.054 162 HG12 VAL 19 2HG1 VAL 19 -10.673 -0.318 -12.934 163 HG13 VAL 19 3HG1 VAL 19 -10.215 -1.490 -11.699 164 HG21 VAL 19 3HG2 VAL 19 -12.042 1.224 -11.000 165 HG22 VAL 19 1HG2 VAL 19 -12.316 0.975 -12.725 166 HG23 VAL 19 2HG2 VAL 19 -13.648 0.788 -11.584 167 H LYS 20 H LYS 20 -15.211 -0.072 -12.767 168 HA LYS 20 HA LYS 20 -14.627 -0.474 -15.627 169 HB2 LYS 20 2HB LYS 20 -17.367 0.150 -14.535 170 HB3 LYS 20 3HB LYS 20 -16.943 -0.372 -16.160 171 HG2 LYS 20 2HG LYS 20 -17.731 -2.333 -15.339 172 HG3 LYS 20 3HG LYS 20 -16.042 -2.488 -14.851 173 HD2 LYS 20 2HD LYS 20 -16.508 -2.160 -12.641 174 HD3 LYS 20 3HD LYS 20 -17.900 -1.128 -12.976 175 HE2 LYS 20 2HE LYS 20 -18.581 -3.264 -11.998 176 HE3 LYS 20 3HE LYS 20 -19.201 -3.078 -13.637 177 HZ1 LYS 20 3HZ LYS 20 -18.072 -4.852 -14.324 178 HZ2 LYS 20 1HZ LYS 20 -17.824 -5.221 -12.691 179 HZ3 LYS 20 2HZ LYS 20 -16.645 -4.370 -13.555 180 H GLN 21 H GLN 21 -13.419 1.342 -15.963 181 HA GLN 21 HA GLN 21 -14.559 3.924 -15.160 182 HB2 GLN 21 2HB GLN 21 -11.807 2.943 -15.709 183 HB3 GLN 21 3HB GLN 21 -12.158 4.619 -16.109 184 HG2 GLN 21 2HG GLN 21 -12.771 5.099 -13.849 185 HG3 GLN 21 3HG GLN 21 -12.659 3.396 -13.408 186 HE21 GLN 21 1HE2 GLN 21 -10.917 2.951 -12.286 187 HE22 GLN 21 2HE2 GLN 21 -9.367 3.693 -12.460 188 H PHE 22 H PHE 22 -13.852 5.725 -16.833 189 HA PHE 22 HA PHE 22 -15.229 5.054 -19.280 190 HB2 PHE 22 2HB PHE 22 -15.781 7.173 -18.348 191 HB3 PHE 22 3HB PHE 22 -14.087 7.622 -18.185 192 HD1 PHE 22 HD1 PHE 22 -16.216 6.363 -20.983 193 HD2 PHE 22 HD2 PHE 22 -13.504 9.332 -19.587 194 HE1 PHE 22 HE1 PHE 22 -16.303 7.470 -23.178 195 HE2 PHE 22 HE2 PHE 22 -13.587 10.444 -21.780 196 HZ PHE 22 HZ PHE 22 -14.989 9.514 -23.579 197 H LEU 23 H LEU 23 -11.961 5.957 -18.302 198 HA LEU 23 HA LEU 23 -10.970 5.930 -21.012 199 HB2 LEU 23 2HB LEU 23 -9.450 6.015 -18.411 200 HB3 LEU 23 3HB LEU 23 -8.799 6.354 -20.013 201 HG LEU 23 HG LEU 23 -9.074 8.469 -19.136 202 HD11 LEU 23 1HD1 LEU 23 -10.221 8.266 -21.296 203 HD12 LEU 23 2HD1 LEU 23 -10.957 9.495 -20.268 204 HD13 LEU 23 3HD1 LEU 23 -11.731 7.922 -20.452 205 HD21 LEU 23 3HD2 LEU 23 -10.306 8.922 -17.339 206 HD22 LEU 23 1HD2 LEU 23 -10.770 7.220 -17.327 207 HD23 LEU 23 2HD2 LEU 23 -11.790 8.406 -18.141 208 H GLU 24 H GLU 24 -11.641 3.600 -18.678 209 HA GLU 24 HA GLU 24 -9.552 1.755 -19.487 210 HB2 GLU 24 2HB GLU 24 -11.667 1.807 -17.402 211 HB3 GLU 24 3HB GLU 24 -11.154 0.227 -17.976 212 HG2 GLU 24 2HG GLU 24 -8.950 0.555 -17.249 213 HG3 GLU 24 3HG GLU 24 -9.188 2.289 -17.044 214 H GLY 25 H GLY 25 -12.108 2.794 -21.065 215 HA2 GLY 25 2HA GLY 25 -12.969 0.128 -21.992 216 HA3 GLY 25 3HA GLY 25 -13.927 1.594 -22.137 217 H PHE 26 H PHE 26 -10.788 2.389 -22.810 218 HA PHE 26 HA PHE 26 -11.159 1.903 -25.692 219 HB2 PHE 26 2HB PHE 26 -9.827 4.332 -24.486 220 HB3 PHE 26 3HB PHE 26 -10.224 4.064 -26.180 221 HD1 PHE 26 HD1 PHE 26 -12.781 3.635 -26.650 222 HD2 PHE 26 HD2 PHE 26 -11.236 5.627 -23.220 223 HE1 PHE 26 HE1 PHE 26 -14.955 4.739 -26.316 224 HE2 PHE 26 HE2 PHE 26 -13.407 6.733 -22.881 225 HZ PHE 26 HZ PHE 26 -15.270 6.289 -24.429 226 H ASN 27 H ASN 27 -9.244 1.650 -26.947 227 HA ASN 27 HA ASN 27 -7.261 0.075 -25.703 228 HB2 ASN 27 2HB ASN 27 -7.773 1.122 -28.425 229 HB3 ASN 27 3HB ASN 27 -6.098 0.714 -28.060 230 HD21 ASN 27 1HD2 ASN 27 -6.174 -1.455 -26.577 231 HD22 ASN 27 2HD2 ASN 27 -6.977 -2.758 -27.379 232 H ILE 28 H ILE 28 -5.169 0.503 -25.113 233 HA ILE 28 HA ILE 28 -4.533 3.016 -24.104 234 HB ILE 28 HB ILE 28 -3.447 0.921 -23.374 235 HG12 ILE 28 2HG1 ILE 28 -1.180 1.857 -23.108 236 HG13 ILE 28 3HG1 ILE 28 -1.529 3.046 -24.358 237 HG21 ILE 28 1HG2 ILE 28 -1.533 1.048 -25.641 238 HG22 ILE 28 2HG2 ILE 28 -2.036 -0.327 -24.660 239 HG23 ILE 28 3HG2 ILE 28 -3.101 0.293 -25.921 240 HD11 ILE 28 3HD1 ILE 28 -3.011 4.212 -23.003 241 HD12 ILE 28 1HD1 ILE 28 -3.213 2.856 -21.894 242 HD13 ILE 28 2HD1 ILE 28 -1.701 3.764 -21.911 243 H GLU 29 H GLU 29 -4.179 1.744 -27.298 244 HA GLU 29 HA GLU 29 -2.182 3.579 -28.191 245 HB2 GLU 29 2HB GLU 29 -2.829 2.813 -30.458 246 HB3 GLU 29 3HB GLU 29 -2.482 1.486 -29.360 247 HG2 GLU 29 2HG GLU 29 -4.555 0.671 -29.494 248 HG3 GLU 29 3HG GLU 29 -5.294 2.269 -29.409 249 H THR 30 H THR 30 -5.622 3.685 -27.831 250 HA THR 30 HA THR 30 -6.175 5.778 -29.658 251 HB THR 30 HB THR 30 -8.320 5.933 -28.669 252 HG1 THR 30 HG1 THR 30 -6.985 5.010 -26.377 253 HG21 THR 30 3HG2 THR 30 -7.827 3.778 -29.801 254 HG22 THR 30 1HG2 THR 30 -9.071 3.640 -28.560 255 HG23 THR 30 2HG2 THR 30 -7.431 3.081 -28.230 256 H PHE 31 H PHE 31 -4.663 5.729 -26.598 257 HA PHE 31 HA PHE 31 -5.203 8.558 -26.098 258 HB2 PHE 31 2HB PHE 31 -3.603 6.626 -24.411 259 HB3 PHE 31 3HB PHE 31 -4.193 8.214 -23.931 260 HD1 PHE 31 HD1 PHE 31 -6.959 7.958 -25.160 261 HD2 PHE 31 HD2 PHE 31 -4.647 5.330 -22.739 262 HE1 PHE 31 HE1 PHE 31 -9.026 6.933 -24.305 263 HE2 PHE 31 HE2 PHE 31 -6.710 4.299 -21.881 264 HZ PHE 31 HZ PHE 31 -8.903 5.100 -22.665 265 H GLU 32 H GLU 32 -3.541 10.098 -25.869 266 HA GLU 32 HA GLU 32 -0.888 9.321 -26.845 267 HB2 GLU 32 2HB GLU 32 -2.512 11.627 -27.934 268 HB3 GLU 32 3HB GLU 32 -0.830 11.302 -28.326 269 HG2 GLU 32 2HG GLU 32 -1.455 9.186 -29.343 270 HG3 GLU 32 3HG GLU 32 -3.142 9.469 -28.919 271 H MET 33 H MET 33 0.689 10.148 -25.639 272 HA MET 33 HA MET 33 0.286 11.574 -23.312 273 HB2 MET 33 2HB MET 33 2.368 10.303 -24.077 274 HB3 MET 33 3HB MET 33 2.824 11.775 -24.924 275 HG2 MET 33 2HG MET 33 2.131 11.964 -22.043 276 HG3 MET 33 3HG MET 33 3.678 11.251 -22.492 277 HE1 MET 33 3HE MET 33 5.677 13.629 -21.880 278 HE2 MET 33 1HE MET 33 4.463 14.621 -21.072 279 HE3 MET 33 2HE MET 33 4.420 12.866 -20.905 280 H VAL 34 H VAL 34 -0.240 13.610 -22.888 281 HA VAL 34 HA VAL 34 0.061 15.613 -25.020 282 HB VAL 34 HB VAL 34 -2.237 15.277 -24.237 283 HG11 VAL 34 1HG1 VAL 34 -2.771 16.127 -21.898 284 HG12 VAL 34 2HG1 VAL 34 -2.001 14.543 -22.014 285 HG13 VAL 34 3HG1 VAL 34 -1.049 15.958 -21.562 286 HG21 VAL 34 3HG2 VAL 34 -1.474 17.942 -23.138 287 HG22 VAL 34 1HG2 VAL 34 -1.145 17.587 -24.834 288 HG23 VAL 34 2HG2 VAL 34 -2.796 17.506 -24.221 289 H GLY 35 H GLY 35 1.038 14.776 -21.808 290 HA2 GLY 35 2HA GLY 35 3.224 16.434 -21.679 291 HA3 GLY 35 3HA GLY 35 1.904 17.388 -21.019 292 H THR 36 H THR 36 3.506 17.252 -19.156 293 HA THR 36 HA THR 36 2.587 15.134 -17.372 294 HB THR 36 HB THR 36 5.022 14.956 -16.514 295 HG1 THR 36 HG1 THR 36 6.542 15.253 -18.272 296 HG21 THR 36 3HG2 THR 36 4.032 13.028 -17.434 297 HG22 THR 36 1HG2 THR 36 5.535 13.235 -18.331 298 HG23 THR 36 2HG2 THR 36 4.002 13.716 -19.057 299 H LEU 37 H LEU 37 3.116 15.582 -15.094 300 HA LEU 37 HA LEU 37 3.474 18.463 -14.590 301 HB2 LEU 37 2HB LEU 37 1.127 17.629 -14.306 302 HB3 LEU 37 3HB LEU 37 1.717 16.603 -13.001 303 HG LEU 37 HG LEU 37 0.576 18.780 -12.349 304 HD11 LEU 37 1HD1 LEU 37 1.579 18.422 -10.405 305 HD12 LEU 37 2HD1 LEU 37 3.097 19.077 -11.018 306 HD13 LEU 37 3HD1 LEU 37 2.726 17.367 -11.232 307 HD21 LEU 37 3HD2 LEU 37 2.174 19.935 -14.171 308 HD22 LEU 37 1HD2 LEU 37 3.152 20.172 -12.722 309 HD23 LEU 37 2HD2 LEU 37 1.502 20.794 -12.784 310 H SER 38 H SER 38 4.759 19.055 -12.894 311 HA SER 38 HA SER 38 5.814 16.983 -11.125 312 HB2 SER 38 2HB SER 38 8.105 17.467 -11.581 313 HB3 SER 38 3HB SER 38 7.332 17.227 -13.148 314 HG SER 38 HG SER 38 7.047 19.685 -12.925 315 H ASN 39 H ASN 39 5.466 17.723 -9.146 316 HA ASN 39 HA ASN 39 6.401 20.348 -8.382 317 HB2 ASN 39 2HB ASN 39 4.344 21.241 -7.621 318 HB3 ASN 39 3HB ASN 39 4.014 20.632 -9.241 319 HD21 ASN 39 1HD2 ASN 39 3.604 18.034 -8.951 320 HD22 ASN 39 2HD2 ASN 39 2.278 17.715 -7.890 321 H ALA 40 H ALA 40 5.320 20.601 -5.912 322 HA ALA 40 HA ALA 40 6.830 18.937 -4.311 323 HB1 ALA 40 1HB ALA 40 4.428 20.634 -3.766 324 HB2 ALA 40 2HB ALA 40 5.129 19.638 -2.489 325 HB3 ALA 40 3HB ALA 40 6.105 20.878 -3.276 326 H GLN 41 H GLN 41 3.516 18.520 -5.428 327 HA GLN 41 HA GLN 41 2.824 16.346 -3.785 328 HB2 GLN 41 2HB GLN 41 1.688 17.755 -6.020 329 HB3 GLN 41 3HB GLN 41 1.497 16.023 -6.254 330 HG2 GLN 41 2HG GLN 41 0.574 17.633 -3.886 331 HG3 GLN 41 3HG GLN 41 -0.436 16.913 -5.139 332 HE21 GLN 41 1HE2 GLN 41 -0.253 16.549 -2.170 333 HE22 GLN 41 2HE2 GLN 41 -0.107 14.842 -1.949 334 H GLY 42 H GLY 42 4.602 16.550 -6.795 335 HA2 GLY 42 2HA GLY 42 6.243 14.564 -6.837 336 HA3 GLY 42 3HA GLY 42 4.767 13.612 -6.898 337 H THR 43 H THR 43 5.606 12.763 -8.906 338 HA THR 43 HA THR 43 5.369 14.639 -11.164 339 HB THR 43 HB THR 43 6.570 11.927 -11.512 340 HG1 THR 43 HG1 THR 43 8.461 12.529 -10.607 341 HG21 THR 43 3HG2 THR 43 7.732 12.926 -13.283 342 HG22 THR 43 1HG2 THR 43 7.504 14.550 -12.638 343 HG23 THR 43 2HG2 THR 43 6.140 13.682 -13.343 344 H PHE 44 H PHE 44 3.526 14.517 -12.247 345 HA PHE 44 HA PHE 44 2.104 11.940 -12.329 346 HB2 PHE 44 2HB PHE 44 0.943 14.706 -12.715 347 HB3 PHE 44 3HB PHE 44 0.046 13.193 -12.627 348 HD1 PHE 44 HD2 PHE 44 2.129 15.544 -10.685 349 HD2 PHE 44 HD1 PHE 44 -0.580 12.264 -10.559 350 HE1 PHE 44 HE2 PHE 44 1.919 15.816 -8.249 351 HE2 PHE 44 HE1 PHE 44 -0.795 12.531 -8.122 352 HZ PHE 44 HZ PHE 44 0.457 14.308 -6.964 353 H ALA 45 H ALA 45 0.774 11.600 -14.317 354 HA ALA 45 HA ALA 45 2.229 12.581 -16.686 355 HB1 ALA 45 1HB ALA 45 0.947 10.297 -17.511 356 HB2 ALA 45 2HB ALA 45 2.642 10.415 -17.038 357 HB3 ALA 45 3HB ALA 45 1.432 9.903 -15.861 358 H LEU 46 H LEU 46 1.109 13.560 -18.268 359 HA LEU 46 HA LEU 46 -1.822 13.652 -17.995 360 HB2 LEU 46 2HB LEU 46 -0.159 15.687 -19.443 361 HB3 LEU 46 3HB LEU 46 -1.814 15.838 -18.856 362 HG LEU 46 HG LEU 46 0.707 15.826 -17.202 363 HD11 LEU 46 1HD1 LEU 46 -1.308 18.006 -17.180 364 HD12 LEU 46 2HD1 LEU 46 -0.221 17.891 -18.563 365 HD13 LEU 46 3HD1 LEU 46 0.438 18.072 -16.938 366 HD21 LEU 46 3HD2 LEU 46 -0.900 16.317 -15.320 367 HD22 LEU 46 1HD2 LEU 46 -0.906 14.659 -15.921 368 HD23 LEU 46 2HD2 LEU 46 -2.191 15.771 -16.391 369 H VAL 47 H VAL 47 -2.858 12.503 -19.475 370 HA VAL 47 HA VAL 47 -1.691 12.305 -22.177 371 HB VAL 47 HB VAL 47 -1.745 10.155 -20.856 372 HG11 VAL 47 1HG1 VAL 47 -3.800 9.041 -20.454 373 HG12 VAL 47 2HG1 VAL 47 -3.977 10.673 -19.805 374 HG13 VAL 47 3HG1 VAL 47 -4.712 10.253 -21.353 375 HG21 VAL 47 3HG2 VAL 47 -2.378 8.831 -22.731 376 HG22 VAL 47 1HG2 VAL 47 -3.447 10.095 -23.340 377 HG23 VAL 47 2HG2 VAL 47 -1.699 10.331 -23.363 378 H LYS 48 H LYS 48 -3.226 12.089 -23.937 379 HA LYS 48 HA LYS 48 -5.878 13.216 -23.332 380 HB2 LYS 48 2HB LYS 48 -4.284 14.919 -24.276 381 HB3 LYS 48 3HB LYS 48 -4.209 13.949 -25.741 382 HG2 LYS 48 2HG LYS 48 -6.694 14.213 -25.930 383 HG3 LYS 48 3HG LYS 48 -6.600 15.373 -24.603 384 HD2 LYS 48 2HD LYS 48 -5.026 16.727 -25.936 385 HD3 LYS 48 3HD LYS 48 -5.205 15.586 -27.271 386 HE2 LYS 48 2HE LYS 48 -7.408 16.211 -27.671 387 HE3 LYS 48 3HE LYS 48 -7.606 16.904 -26.062 388 HZ1 LYS 48 3HZ LYS 48 -7.122 18.321 -28.298 389 HZ2 LYS 48 1HZ LYS 48 -5.565 18.175 -27.653 390 HZ3 LYS 48 2HZ LYS 48 -6.802 18.864 -26.728 391 H GLY 49 H GLY 49 -7.586 12.399 -24.478 392 HA2 GLY 49 2HA GLY 49 -7.610 11.103 -26.896 393 HA3 GLY 49 3HA GLY 49 -7.199 9.853 -25.731 394 H ALA 50 H ALA 50 -9.335 9.139 -26.842 395 HA ALA 50 HA ALA 50 -11.580 8.743 -26.716 396 HB1 ALA 50 1HB ALA 50 -12.477 8.738 -24.346 397 HB2 ALA 50 2HB ALA 50 -11.065 7.725 -24.652 398 HB3 ALA 50 3HB ALA 50 -10.876 9.280 -23.843 399 H GLY 51 H GLY 51 -10.746 11.500 -27.314 400 HA2 GLY 51 2HA GLY 51 -11.846 13.468 -27.784 401 HA3 GLY 51 3HA GLY 51 -13.313 12.727 -27.163 402 H GLY 52 H GLY 52 -10.306 13.150 -25.371 403 HA2 GLY 52 2HA GLY 52 -11.015 15.542 -24.051 404 HA3 GLY 52 3HA GLY 52 -11.546 14.173 -23.086 405 H VAL 53 H VAL 53 -9.986 15.269 -21.572 406 HA VAL 53 HA VAL 53 -7.243 14.310 -22.080 407 HB VAL 53 HB VAL 53 -6.606 16.051 -20.310 408 HG11 VAL 53 1HG1 VAL 53 -7.659 17.123 -22.922 409 HG12 VAL 53 2HG1 VAL 53 -6.324 17.759 -21.958 410 HG13 VAL 53 3HG1 VAL 53 -6.166 16.199 -22.767 411 HG21 VAL 53 3HG2 VAL 53 -8.065 17.850 -19.881 412 HG22 VAL 53 1HG2 VAL 53 -9.186 17.347 -21.146 413 HG23 VAL 53 2HG2 VAL 53 -9.043 16.399 -19.666 414 H HIS 54 H HIS 54 -6.258 13.060 -20.568 415 HA HIS 54 HA HIS 54 -7.776 12.467 -18.114 416 HB2 HIS 54 2HB HIS 54 -6.041 10.366 -19.326 417 HB3 HIS 54 3HB HIS 54 -7.513 10.195 -18.373 418 HD1 HIS 54 HD1 HIS 54 -6.607 9.143 -21.420 419 HD2 HIS 54 HD2 HIS 54 -9.594 11.802 -20.294 420 HE1 HIS 54 HE1 HIS 54 -8.262 9.136 -23.313 421 H ARG 55 H ARG 55 -6.554 11.915 -16.259 422 HA ARG 55 HA ARG 55 -3.683 12.535 -16.419 423 HB2 ARG 55 2HB ARG 55 -3.830 13.796 -14.334 424 HB3 ARG 55 3HB ARG 55 -4.871 14.504 -15.563 425 HG2 ARG 55 2HG ARG 55 -6.811 13.421 -14.540 426 HG3 ARG 55 3HG ARG 55 -5.762 12.725 -13.303 427 HD2 ARG 55 2HD ARG 55 -5.122 15.386 -13.193 428 HD3 ARG 55 3HD ARG 55 -6.848 15.428 -13.551 429 HE ARG 55 HE ARG 55 -6.187 13.629 -11.421 430 HH11 ARG 55 1HH1 ARG 55 -6.851 16.948 -12.233 431 HH12 ARG 55 2HH1 ARG 55 -7.388 17.367 -10.639 432 HH21 ARG 55 1HH2 ARG 55 -6.891 14.167 -9.320 433 HH22 ARG 55 2HH2 ARG 55 -7.409 15.784 -8.983 434 H VAL 56 H VAL 56 -2.381 11.167 -15.349 435 HA VAL 56 HA VAL 56 -3.490 9.456 -13.252 436 HB VAL 56 HB VAL 56 -2.436 7.444 -14.237 437 HG11 VAL 56 1HG1 VAL 56 -4.289 8.407 -16.348 438 HG12 VAL 56 2HG1 VAL 56 -4.289 6.891 -15.444 439 HG13 VAL 56 3HG1 VAL 56 -4.879 8.371 -14.687 440 HG21 VAL 56 3HG2 VAL 56 -1.052 9.152 -15.816 441 HG22 VAL 56 1HG2 VAL 56 -1.258 7.434 -16.157 442 HG23 VAL 56 2HG2 VAL 56 -2.309 8.619 -16.932 443 H ARG 57 H ARG 57 -1.929 8.566 -11.844 444 HA ARG 57 HA ARG 57 0.675 9.930 -11.972 445 HB2 ARG 57 2HB ARG 57 0.758 9.897 -9.611 446 HB3 ARG 57 3HB ARG 57 -0.886 10.373 -10.015 447 HG2 ARG 57 2HG ARG 57 -1.646 8.082 -9.609 448 HG3 ARG 57 3HG ARG 57 0.004 7.617 -9.189 449 HD2 ARG 57 2HD ARG 57 -1.210 9.921 -7.758 450 HD3 ARG 57 3HD ARG 57 -1.777 8.302 -7.349 451 HE ARG 57 HE ARG 57 1.054 8.398 -7.354 452 HH11 ARG 57 1HH1 ARG 57 -1.727 9.368 -5.497 453 HH12 ARG 57 2HH1 ARG 57 -0.886 9.345 -3.982 454 HH21 ARG 57 1HH2 ARG 57 2.171 8.364 -5.365 455 HH22 ARG 57 2HH2 ARG 57 1.331 8.774 -3.909 456 H VAL 58 H VAL 58 2.404 8.652 -10.662 457 HA VAL 58 HA VAL 58 3.054 6.347 -12.072 458 HB VAL 58 HB VAL 58 4.016 7.060 -9.299 459 HG11 VAL 58 1HG1 VAL 58 4.520 4.813 -10.885 460 HG12 VAL 58 2HG1 VAL 58 5.952 5.834 -11.039 461 HG13 VAL 58 3HG1 VAL 58 5.397 5.325 -9.443 462 HG21 VAL 58 3HG2 VAL 58 4.931 7.977 -12.016 463 HG22 VAL 58 1HG2 VAL 58 4.387 8.965 -10.661 464 HG23 VAL 58 2HG2 VAL 58 5.927 8.112 -10.567 465 H GLY 59 H GLY 59 2.147 4.404 -12.052 466 HA2 GLY 59 2HA GLY 59 1.736 2.361 -10.818 467 HA3 GLY 59 3HA GLY 59 1.164 3.347 -9.479 468 H ASP 60 H ASP 60 -0.338 5.093 -11.386 469 HA ASP 60 HA ASP 60 -2.845 3.900 -11.168 470 HB2 ASP 60 2HB ASP 60 -1.779 6.171 -12.815 471 HB3 ASP 60 3HB ASP 60 -3.439 5.624 -13.035 472 H TYR 61 H TYR 61 -4.317 3.576 -13.163 473 HA TYR 61 HA TYR 61 -2.891 2.044 -15.229 474 HB2 TYR 61 2HB TYR 61 -5.479 1.142 -13.958 475 HB3 TYR 61 3HB TYR 61 -4.488 0.254 -15.109 476 HD1 TYR 61 HD2 TYR 61 -4.709 1.433 -11.624 477 HD2 TYR 61 HD1 TYR 61 -2.581 -0.998 -14.392 478 HE1 TYR 61 HE2 TYR 61 -3.509 0.370 -9.759 479 HE2 TYR 61 HE1 TYR 61 -1.376 -2.069 -12.534 480 HH TYR 61 HH TYR 61 -1.738 -0.944 -9.219 481 H LEU 62 H LEU 62 -3.722 2.160 -17.278 482 HA LEU 62 HA LEU 62 -6.286 3.446 -17.736 483 HB2 LEU 62 2HB LEU 62 -4.994 4.922 -19.489 484 HB3 LEU 62 3HB LEU 62 -5.198 5.441 -17.817 485 HG LEU 62 HG LEU 62 -2.895 4.527 -17.366 486 HD11 LEU 62 1HD1 LEU 62 -3.212 3.595 -20.038 487 HD12 LEU 62 2HD1 LEU 62 -1.875 3.325 -18.921 488 HD13 LEU 62 3HD1 LEU 62 -1.862 4.729 -19.987 489 HD21 LEU 62 3HD2 LEU 62 -3.547 6.954 -17.889 490 HD22 LEU 62 1HD2 LEU 62 -2.831 6.660 -19.474 491 HD23 LEU 62 2HD2 LEU 62 -1.846 6.506 -18.019 492 H GLY 63 H GLY 63 -7.053 3.214 -19.909 493 HA2 GLY 63 2HA GLY 63 -7.141 2.268 -22.027 494 HA3 GLY 63 3HA GLY 63 -5.496 1.692 -21.806 495 H ARG 64 H ARG 64 -7.536 0.159 -22.977 496 HA ARG 64 HA ARG 64 -8.703 -1.632 -21.096 497 HB2 ARG 64 2HB ARG 64 -8.255 -1.847 -24.076 498 HB3 ARG 64 3HB ARG 64 -9.133 -3.045 -23.134 499 HG2 ARG 64 2HG ARG 64 -10.684 -1.200 -22.425 500 HG3 ARG 64 3HG ARG 64 -9.883 -0.176 -23.619 501 HD2 ARG 64 2HD ARG 64 -11.499 -2.668 -24.076 502 HD3 ARG 64 3HD ARG 64 -11.795 -1.043 -24.693 503 HE ARG 64 HE ARG 64 -9.405 -1.667 -25.775 504 HH11 ARG 64 1HH1 ARG 64 -12.462 -3.329 -25.660 505 HH12 ARG 64 2HH1 ARG 64 -12.228 -4.136 -27.175 506 HH21 ARG 64 1HH2 ARG 64 -9.085 -2.724 -27.771 507 HH22 ARG 64 2HH2 ARG 64 -10.306 -3.792 -28.375 508 H ASN 65 H ASN 65 -5.561 -1.277 -22.254 509 HA ASN 65 HA ASN 65 -4.867 -4.092 -21.944 510 HB2 ASN 65 2HB ASN 65 -3.129 -1.727 -22.684 511 HB3 ASN 65 3HB ASN 65 -2.636 -3.417 -22.718 512 HD21 ASN 65 1HD2 ASN 65 -4.752 -4.651 -23.853 513 HD22 ASN 65 2HD2 ASN 65 -4.984 -4.083 -25.468 514 H ASP 66 H ASP 66 -5.644 -2.079 -19.748 515 HA ASP 66 HA ASP 66 -5.048 -1.577 -17.605 516 HB2 ASP 66 2HB ASP 66 -3.814 -4.274 -18.067 517 HB3 ASP 66 3HB ASP 66 -3.578 -3.444 -16.531 518 H GLY 67 H GLY 67 -3.531 -0.217 -19.492 519 HA2 GLY 67 2HA GLY 67 -0.763 -0.383 -19.253 520 HA3 GLY 67 3HA GLY 67 -1.649 1.088 -19.626 521 H LYS 68 H LYS 68 0.111 -0.649 -17.255 522 HA LYS 68 HA LYS 68 -0.648 1.143 -15.092 523 HB2 LYS 68 2HB LYS 68 -0.327 -1.237 -14.601 524 HB3 LYS 68 3HB LYS 68 1.336 -1.138 -15.165 525 HG2 LYS 68 2HG LYS 68 1.629 0.651 -13.344 526 HG3 LYS 68 3HG LYS 68 0.120 0.015 -12.685 527 HD2 LYS 68 2HD LYS 68 1.894 -1.118 -11.578 528 HD3 LYS 68 3HD LYS 68 1.187 -2.263 -12.720 529 HE2 LYS 68 2HE LYS 68 2.980 -1.857 -14.291 530 HE3 LYS 68 3HE LYS 68 3.654 -0.608 -13.245 531 HZ1 LYS 68 3HZ LYS 68 3.621 -2.647 -11.562 532 HZ2 LYS 68 1HZ LYS 68 4.934 -2.324 -12.579 533 HZ3 LYS 68 2HZ LYS 68 3.802 -3.505 -13.009 534 H VAL 69 H VAL 69 0.373 2.984 -14.689 535 HA VAL 69 HA VAL 69 2.646 3.811 -16.184 536 HB VAL 69 HB VAL 69 1.411 5.073 -13.732 537 HG11 VAL 69 1HG1 VAL 69 2.508 7.148 -14.662 538 HG12 VAL 69 2HG1 VAL 69 3.599 5.949 -13.964 539 HG13 VAL 69 3HG1 VAL 69 3.436 6.081 -15.716 540 HG21 VAL 69 3HG2 VAL 69 0.625 6.659 -15.709 541 HG22 VAL 69 1HG2 VAL 69 0.766 5.160 -16.627 542 HG23 VAL 69 2HG2 VAL 69 -0.302 5.239 -15.226 543 H VAL 70 H VAL 70 4.741 3.559 -15.767 544 HA VAL 70 HA VAL 70 5.539 2.759 -13.043 545 HB VAL 70 HB VAL 70 7.299 1.390 -13.967 546 HG11 VAL 70 1HG1 VAL 70 5.718 -0.178 -13.907 547 HG12 VAL 70 2HG1 VAL 70 4.493 0.933 -14.526 548 HG13 VAL 70 3HG1 VAL 70 5.540 0.060 -15.645 549 HG21 VAL 70 3HG2 VAL 70 7.560 1.054 -16.373 550 HG22 VAL 70 1HG2 VAL 70 6.292 2.240 -16.681 551 HG23 VAL 70 2HG2 VAL 70 7.809 2.745 -15.937 552 H GLY 71 H GLY 71 6.242 4.685 -15.872 553 HA2 GLY 71 2HA GLY 71 8.103 6.275 -14.260 554 HA3 GLY 71 3HA GLY 71 8.684 5.633 -15.790 555 H ILE 72 H ILE 72 8.366 8.415 -14.932 556 HA ILE 72 HA ILE 72 6.618 9.298 -17.127 557 HB ILE 72 HB ILE 72 6.832 10.631 -14.425 558 HG12 ILE 72 2HG1 ILE 72 4.365 9.454 -15.695 559 HG13 ILE 72 3HG1 ILE 72 5.424 8.500 -14.661 560 HG21 ILE 72 1HG2 ILE 72 5.013 12.096 -15.367 561 HG22 ILE 72 2HG2 ILE 72 6.615 12.330 -16.064 562 HG23 ILE 72 3HG2 ILE 72 5.393 11.416 -16.949 563 HD11 ILE 72 3HD1 ILE 72 4.019 11.032 -13.844 564 HD12 ILE 72 1HD1 ILE 72 3.493 9.394 -13.456 565 HD13 ILE 72 2HD1 ILE 72 5.017 10.007 -12.814 566 H SER 73 H SER 73 7.842 10.250 -18.604 567 HA SER 73 HA SER 73 10.281 11.648 -17.756 568 HB2 SER 73 2HB SER 73 9.656 11.113 -20.632 569 HB3 SER 73 3HB SER 73 11.218 11.157 -19.813 570 HG SER 73 HG SER 73 10.686 9.027 -20.299 571 H GLU 74 H GLU 74 10.817 13.453 -19.542 572 HA GLU 74 HA GLU 74 8.694 15.407 -19.230 573 HB2 GLU 74 2HB GLU 74 10.333 17.041 -19.937 574 HB3 GLU 74 3HB GLU 74 11.042 15.994 -18.716 575 HG2 GLU 74 2HG GLU 74 11.922 14.655 -20.763 576 HG3 GLU 74 3HG GLU 74 11.619 16.155 -21.636 577 H GLY 75 H GLY 75 10.102 13.443 -21.717 578 HA2 GLY 75 2HA GLY 75 8.404 14.813 -23.712 579 HA3 GLY 75 3HA GLY 75 9.946 14.068 -24.106 580 H LYS 76 H LYS 76 8.370 12.192 -21.848 581 HA LYS 76 HA LYS 76 6.531 10.786 -23.486 582 HB2 LYS 76 2HB LYS 76 7.835 8.675 -23.695 583 HB3 LYS 76 3HB LYS 76 8.481 9.997 -24.659 584 HG2 LYS 76 2HG LYS 76 9.585 9.546 -21.934 585 HG3 LYS 76 3HG LYS 76 10.054 8.454 -23.239 586 HD2 LYS 76 2HD LYS 76 10.520 10.652 -24.552 587 HD3 LYS 76 3HD LYS 76 10.557 11.390 -22.949 588 HE2 LYS 76 2HE LYS 76 12.376 10.051 -22.267 589 HE3 LYS 76 3HE LYS 76 12.187 8.961 -23.640 590 HZ1 LYS 76 3HZ LYS 76 14.006 10.844 -23.605 591 HZ2 LYS 76 1HZ LYS 76 12.729 11.775 -24.211 592 HZ3 LYS 76 2HZ LYS 76 13.232 10.388 -25.038 593 H ILE 77 H ILE 77 6.078 8.526 -22.442 594 HA ILE 77 HA ILE 77 6.494 8.631 -19.541 595 HB ILE 77 HB ILE 77 3.795 8.176 -20.818 596 HG12 ILE 77 2HG1 ILE 77 4.671 10.491 -19.085 597 HG13 ILE 77 3HG1 ILE 77 4.653 10.554 -20.844 598 HG21 ILE 77 1HG2 ILE 77 2.940 8.090 -18.559 599 HG22 ILE 77 2HG2 ILE 77 4.208 6.881 -18.759 600 HG23 ILE 77 3HG2 ILE 77 4.552 8.386 -17.907 601 HD11 ILE 77 3HD1 ILE 77 2.285 10.279 -20.894 602 HD12 ILE 77 1HD1 ILE 77 2.234 9.967 -19.159 603 HD13 ILE 77 2HD1 ILE 77 2.669 11.569 -19.755 604 H ASP 78 H ASP 78 7.028 6.717 -18.707 605 HA ASP 78 HA ASP 78 6.936 4.372 -20.436 606 HB2 ASP 78 2HB ASP 78 8.371 5.018 -17.870 607 HB3 ASP 78 3HB ASP 78 8.279 3.366 -18.476 608 H VAL 79 H VAL 79 5.304 2.993 -20.319 609 HA VAL 79 HA VAL 79 4.125 2.376 -17.713 610 HB VAL 79 HB VAL 79 1.866 2.589 -18.472 611 HG11 VAL 79 1HG1 VAL 79 3.344 4.672 -17.841 612 HG12 VAL 79 2HG1 VAL 79 3.013 5.132 -19.512 613 HG13 VAL 79 3HG1 VAL 79 1.680 4.871 -18.387 614 HG21 VAL 79 3HG2 VAL 79 1.798 1.953 -20.691 615 HG22 VAL 79 1HG2 VAL 79 1.548 3.694 -20.810 616 HG23 VAL 79 2HG2 VAL 79 3.137 3.007 -21.144 617 H ILE 80 H ILE 80 3.239 0.313 -17.549 618 HA ILE 80 HA ILE 80 4.118 -1.538 -19.630 619 HB ILE 80 HB ILE 80 3.412 -1.835 -16.742 620 HG12 ILE 80 2HG1 ILE 80 5.757 -1.466 -17.558 621 HG13 ILE 80 3HG1 ILE 80 5.542 -2.943 -16.625 622 HG21 ILE 80 1HG2 ILE 80 3.265 -4.001 -18.821 623 HG22 ILE 80 2HG2 ILE 80 3.543 -4.342 -17.114 624 HG23 ILE 80 3HG2 ILE 80 2.053 -3.547 -17.622 625 HD11 ILE 80 3HD1 ILE 80 5.177 -3.334 -19.484 626 HD12 ILE 80 1HD1 ILE 80 6.782 -2.743 -19.054 627 HD13 ILE 80 2HD1 ILE 80 6.165 -4.228 -18.329 628 H GLU 81 H GLU 81 2.732 -2.206 -21.118 629 HA GLU 81 HA GLU 81 -0.141 -2.199 -20.478 630 HB2 GLU 81 2HB GLU 81 1.171 -2.151 -23.201 631 HB3 GLU 81 3HB GLU 81 -0.550 -2.015 -22.870 632 HG2 GLU 81 2HG GLU 81 -0.304 0.122 -21.917 633 HG3 GLU 81 3HG GLU 81 1.448 -0.044 -21.810 634 H ILE 82 H ILE 82 -1.448 -3.943 -21.220 635 HA ILE 82 HA ILE 82 0.037 -6.471 -21.382 636 HB ILE 82 HB ILE 82 -2.900 -6.131 -20.786 637 HG12 ILE 82 2HG1 ILE 82 -1.579 -4.956 -19.085 638 HG13 ILE 82 3HG1 ILE 82 -2.311 -6.410 -18.416 639 HG21 ILE 82 1HG2 ILE 82 -1.145 -8.390 -21.173 640 HG22 ILE 82 2HG2 ILE 82 -1.897 -8.428 -19.580 641 HG23 ILE 82 3HG2 ILE 82 -2.902 -8.342 -21.026 642 HD11 ILE 82 3HD1 ILE 82 -0.007 -6.082 -17.662 643 HD12 ILE 82 1HD1 ILE 82 -0.201 -7.578 -18.575 644 HD13 ILE 82 2HD1 ILE 82 0.544 -6.170 -19.335 645 H VAL 83 H VAL 83 -0.231 -7.884 -23.044 646 HA VAL 83 HA VAL 83 -2.262 -7.339 -25.074 647 HB VAL 83 HB VAL 83 -0.473 -7.716 -26.861 648 HG11 VAL 83 1HG1 VAL 83 -1.629 -5.514 -26.093 649 HG12 VAL 83 2HG1 VAL 83 -0.036 -5.123 -25.442 650 HG13 VAL 83 3HG1 VAL 83 -0.232 -5.440 -27.166 651 HG21 VAL 83 3HG2 VAL 83 1.575 -6.479 -25.205 652 HG22 VAL 83 1HG2 VAL 83 1.156 -8.108 -24.675 653 HG23 VAL 83 2HG2 VAL 83 1.695 -7.830 -26.332 654 HA PRO 84 HA PRO 84 -2.574 -11.711 -25.318 655 HB2 PRO 84 2HB PRO 84 -3.279 -12.054 -27.917 656 HB3 PRO 84 3HB PRO 84 -4.378 -11.388 -26.703 657 HG2 PRO 84 2HG PRO 84 -2.721 -9.959 -28.745 658 HG3 PRO 84 3HG PRO 84 -4.401 -9.662 -28.262 659 HD2 PRO 84 2HD PRO 84 -2.337 -8.162 -27.355 660 HD3 PRO 84 3HD PRO 84 -3.783 -8.488 -26.377 661 H ASP 85 H ASP 85 -1.460 -13.554 -25.921 662 HA ASP 85 HA ASP 85 1.129 -13.085 -27.175 663 HB2 ASP 85 2HB ASP 85 -0.028 -15.266 -25.477 664 HB3 ASP 85 3HB ASP 85 1.397 -15.592 -26.460 665 H GLY 86 H GLY 86 -1.905 -14.662 -27.797 666 HA2 GLY 86 2HA GLY 86 -2.266 -14.875 -30.293 667 HA3 GLY 86 3HA GLY 86 -0.780 -15.813 -30.274 668 H GLU 87 H GLU 87 -1.280 -17.241 -27.863 669 HA GLU 87 HA GLU 87 -3.100 -19.235 -28.917 670 HB2 GLU 87 2HB GLU 87 -1.611 -19.394 -26.304 671 HB3 GLU 87 3HB GLU 87 -2.201 -20.715 -27.303 672 HG2 GLU 87 2HG GLU 87 -0.520 -19.526 -29.035 673 HG3 GLU 87 3HG GLU 87 0.274 -19.140 -27.509 674 H GLY 88 H GLY 88 -3.056 -16.792 -26.458 675 HA2 GLY 88 2HA GLY 88 -5.564 -16.287 -25.967 676 HA3 GLY 88 3HA GLY 88 -5.488 -17.878 -25.224 677 H ASN 89 H ASN 89 -2.558 -17.048 -24.556 678 HA ASN 89 HA ASN 89 -3.247 -15.976 -21.945 679 HB2 ASN 89 2HB ASN 89 -0.825 -16.400 -21.445 680 HB3 ASN 89 3HB ASN 89 -1.719 -17.833 -21.945 681 HD21 ASN 89 1HD2 ASN 89 -1.359 -18.695 -24.010 682 HD22 ASN 89 2HD2 ASN 89 0.076 -18.331 -24.901 683 H TRP 90 H TRP 90 -2.530 -14.043 -21.107 684 HA TRP 90 HA TRP 90 -1.627 -12.088 -23.095 685 HB2 TRP 90 2HB TRP 90 -2.746 -11.602 -20.326 686 HB3 TRP 90 3HB TRP 90 -2.440 -10.385 -21.563 687 HD1 TRP 90 HD1 TRP 90 -4.765 -13.403 -20.909 688 HE1 TRP 90 HE1 TRP 90 -6.947 -13.030 -22.222 689 HE3 TRP 90 HE3 TRP 90 -3.484 -9.134 -23.412 690 HZ2 TRP 90 HZ2 TRP 90 -7.987 -11.171 -24.075 691 HZ3 TRP 90 HZ3 TRP 90 -5.129 -8.122 -24.937 692 HH2 TRP 90 HH2 TRP 90 -7.334 -9.121 -25.260 693 H LEU 91 H LEU 91 -0.061 -10.439 -22.407 694 HA LEU 91 HA LEU 91 1.715 -11.201 -20.227 695 HB2 LEU 91 2HB LEU 91 2.287 -12.090 -22.735 696 HB3 LEU 91 3HB LEU 91 3.152 -10.555 -22.704 697 HG LEU 91 HG LEU 91 4.395 -11.299 -20.728 698 HD11 LEU 91 1HD1 LEU 91 3.127 -12.771 -19.524 699 HD12 LEU 91 2HD1 LEU 91 4.189 -13.895 -20.370 700 HD13 LEU 91 3HD1 LEU 91 2.549 -13.621 -20.957 701 HD21 LEU 91 3HD2 LEU 91 5.607 -11.730 -22.639 702 HD22 LEU 91 1HD2 LEU 91 4.437 -12.901 -23.247 703 HD23 LEU 91 2HD2 LEU 91 5.510 -13.336 -21.916 704 H GLU 92 H GLU 92 3.345 -9.533 -19.769 705 HA GLU 92 HA GLU 92 2.209 -6.887 -20.200 706 HB2 GLU 92 2HB GLU 92 4.620 -7.524 -18.514 707 HB3 GLU 92 3HB GLU 92 3.524 -6.156 -18.377 708 HG2 GLU 92 2HG GLU 92 2.816 -7.426 -16.626 709 HG3 GLU 92 3HG GLU 92 1.751 -8.025 -17.897 710 H ARG 93 H ARG 93 3.407 -5.114 -20.982 711 HA ARG 93 HA ARG 93 6.006 -5.612 -22.185 712 HB2 ARG 93 2HB ARG 93 4.004 -6.156 -23.807 713 HB3 ARG 93 3HB ARG 93 3.932 -4.406 -23.969 714 HG2 ARG 93 2HG ARG 93 6.516 -4.685 -24.410 715 HG3 ARG 93 3HG ARG 93 6.018 -6.314 -24.873 716 HD2 ARG 93 2HD ARG 93 4.304 -5.249 -26.372 717 HD3 ARG 93 3HD ARG 93 5.072 -3.699 -26.029 718 HE ARG 93 HE ARG 93 6.774 -4.268 -27.448 719 HH11 ARG 93 1HH1 ARG 93 4.952 -7.125 -26.650 720 HH12 ARG 93 2HH1 ARG 93 5.772 -8.128 -27.799 721 HH21 ARG 93 1HH2 ARG 93 7.862 -5.579 -28.966 722 HH22 ARG 93 2HH2 ARG 93 7.427 -7.248 -29.116 723 HA PRO 94 HA PRO 94 6.412 -1.473 -20.630 724 HB2 PRO 94 2HB PRO 94 8.950 -1.068 -21.503 725 HB3 PRO 94 3HB PRO 94 8.567 -2.060 -20.091 726 HG2 PRO 94 2HG PRO 94 9.176 -2.911 -22.896 727 HG3 PRO 94 3HG PRO 94 9.743 -3.608 -21.368 728 HD2 PRO 94 2HD PRO 94 7.719 -4.694 -22.801 729 HD3 PRO 94 3HD PRO 94 7.787 -4.778 -21.029 730 H ARG 95 H ARG 95 4.953 -0.354 -21.943 731 HA ARG 95 HA ARG 95 5.894 0.470 -24.596 732 HB2 ARG 95 2HB ARG 95 3.245 0.124 -23.338 733 HB3 ARG 95 3HB ARG 95 3.395 1.509 -24.410 734 HG2 ARG 95 2HG ARG 95 4.333 -1.169 -25.327 735 HG3 ARG 95 3HG ARG 95 2.610 -0.790 -25.336 736 HD2 ARG 95 2HD ARG 95 4.741 0.877 -26.665 737 HD3 ARG 95 3HD ARG 95 3.747 -0.320 -27.493 738 HE ARG 95 HE ARG 95 2.143 1.578 -26.117 739 HH11 ARG 95 1HH1 ARG 95 4.076 1.133 -28.978 740 HH12 ARG 95 2HH1 ARG 95 3.204 2.307 -29.908 741 HH21 ARG 95 1HH2 ARG 95 0.987 3.126 -27.330 742 HH22 ARG 95 2HH2 ARG 95 1.448 3.440 -28.969 743 H SER 96 H SER 96 6.516 2.500 -25.020 744 HA SER 96 HA SER 96 6.303 4.466 -22.841 745 HB2 SER 96 2HB SER 96 8.132 5.429 -24.735 746 HB3 SER 96 3HB SER 96 8.508 4.712 -23.169 747 HG SER 96 HG SER 96 8.749 3.655 -25.700 748 H LEU 97 H LEU 97 4.992 6.140 -23.105 749 HA LEU 97 HA LEU 97 3.941 6.703 -25.781 750 HB2 LEU 97 2HB LEU 97 2.914 7.914 -23.243 751 HB3 LEU 97 3HB LEU 97 2.068 7.653 -24.767 752 HG LEU 97 HG LEU 97 2.462 5.112 -24.132 753 HD11 LEU 97 1HD1 LEU 97 3.253 4.762 -22.094 754 HD12 LEU 97 2HD1 LEU 97 1.844 5.583 -21.424 755 HD13 LEU 97 3HD1 LEU 97 3.308 6.497 -21.785 756 HD21 LEU 97 3HD2 LEU 97 0.295 6.087 -24.534 757 HD22 LEU 97 1HD2 LEU 97 0.330 6.900 -22.969 758 HD23 LEU 97 2HD2 LEU 97 0.237 5.140 -23.046 759 H THR 98 H THR 98 5.211 8.118 -26.819 760 HA THR 98 HA THR 98 6.534 10.274 -25.419 761 HB THR 98 HB THR 98 7.530 10.847 -27.549 762 HG1 THR 98 HG1 THR 98 6.763 10.105 -29.436 763 HG21 THR 98 3HG2 THR 98 8.626 9.035 -26.450 764 HG22 THR 98 1HG2 THR 98 8.535 8.621 -28.161 765 HG23 THR 98 2HG2 THR 98 7.418 7.881 -27.014 766 H LEU 99 H LEU 99 6.188 12.485 -25.754 767 HA LEU 99 HA LEU 99 3.587 13.388 -25.807 768 HB2 LEU 99 2HB LEU 99 5.956 14.539 -25.323 769 HB3 LEU 99 3HB LEU 99 5.637 15.209 -26.921 770 HG LEU 99 HG LEU 99 3.376 15.450 -25.084 771 HD11 LEU 99 1HD1 LEU 99 4.260 16.944 -23.543 772 HD12 LEU 99 2HD1 LEU 99 5.730 17.199 -24.482 773 HD13 LEU 99 3HD1 LEU 99 5.486 15.678 -23.623 774 HD21 LEU 99 3HD2 LEU 99 4.614 17.847 -26.199 775 HD22 LEU 99 1HD2 LEU 99 2.964 17.244 -26.353 776 HD23 LEU 99 2HD2 LEU 99 4.232 16.620 -27.408 777 H LYS 100 H LYS 100 2.109 13.360 -27.351 778 HA LYS 100 HA LYS 100 1.108 13.332 -29.396 779 HB2 LYS 100 2HB LYS 100 2.177 15.675 -29.272 780 HB3 LYS 100 3HB LYS 100 3.377 15.041 -30.391 781 HG2 LYS 100 2HG LYS 100 1.528 14.466 -31.950 782 HG3 LYS 100 3HG LYS 100 0.413 15.281 -30.851 783 HD2 LYS 100 2HD LYS 100 0.923 16.910 -32.447 784 HD3 LYS 100 3HD LYS 100 1.975 17.305 -31.085 785 HE2 LYS 100 2HE LYS 100 3.554 17.380 -32.700 786 HE3 LYS 100 3HE LYS 100 3.588 15.637 -32.435 787 HZ1 LYS 100 3HZ LYS 100 3.319 15.677 -34.673 788 HZ2 LYS 100 1HZ LYS 100 2.497 17.156 -34.680 789 HZ3 LYS 100 2HZ LYS 100 1.686 15.740 -34.236 790 H GLU 101 H GLU 101 2.469 11.067 -29.024 791 HA GLU 101 HA GLU 101 4.502 10.404 -30.803 792 HB2 GLU 101 2HB GLU 101 3.969 8.123 -30.382 793 HB3 GLU 101 3HB GLU 101 3.636 9.002 -28.897 794 HG2 GLU 101 2HG GLU 101 1.214 9.117 -29.781 795 HG3 GLU 101 3HG GLU 101 1.717 7.811 -30.852 796 H ARG 102 H ARG 102 4.380 9.049 -32.743 797 HA ARG 102 HA ARG 102 2.893 10.212 -34.779 798 HB2 ARG 102 2HB ARG 102 4.456 7.689 -34.509 799 HB3 ARG 102 3HB ARG 102 3.413 7.865 -35.914 800 HG2 ARG 102 2HG ARG 102 5.408 8.678 -36.705 801 HG3 ARG 102 3HG ARG 102 4.606 10.160 -36.178 802 HD2 ARG 102 2HD ARG 102 6.887 10.193 -35.417 803 HD3 ARG 102 3HD ARG 102 5.821 9.997 -34.026 804 HE ARG 102 HE ARG 102 6.785 7.964 -33.632 805 HH11 ARG 102 1HH1 ARG 102 7.488 8.928 -36.902 806 HH12 ARG 102 2HH1 ARG 102 8.573 7.610 -37.196 807 HH21 ARG 102 1HH2 ARG 102 8.212 6.224 -34.007 808 HH22 ARG 102 2HH2 ARG 102 8.983 6.072 -35.549 809 H SER 103 H SER 103 1.447 8.793 -36.288 810 HA SER 103 HA SER 103 -0.889 8.120 -34.736 811 HB2 SER 103 2HB SER 103 -1.011 9.408 -36.875 812 HB3 SER 103 3HB SER 103 -0.500 7.954 -37.733 813 HG SER 103 HG SER 103 -2.378 6.925 -36.998 814 H LEU 104 H LEU 104 0.653 6.309 -33.822 815 HA LEU 104 HA LEU 104 1.051 4.086 -33.550 816 HB2 LEU 104 2HB LEU 104 -1.504 4.217 -33.837 817 HB3 LEU 104 3HB LEU 104 -1.213 3.554 -35.444 818 HG LEU 104 HG LEU 104 0.066 1.694 -34.098 819 HD11 LEU 104 1HD1 LEU 104 -1.616 1.440 -31.995 820 HD12 LEU 104 2HD1 LEU 104 -1.394 3.189 -32.033 821 HD13 LEU 104 3HD1 LEU 104 0.007 2.126 -31.895 822 HD21 LEU 104 3HD2 LEU 104 -1.751 0.337 -34.434 823 HD22 LEU 104 1HD2 LEU 104 -2.176 1.704 -35.464 824 HD23 LEU 104 2HD2 LEU 104 -2.901 1.548 -33.864 825 H GLU 105 H GLU 105 2.734 5.172 -35.344 826 HA GLU 105 HA GLU 105 2.811 3.291 -37.604 827 HB2 GLU 105 2HB GLU 105 4.003 6.023 -37.195 828 HB3 GLU 105 3HB GLU 105 4.597 4.944 -38.450 829 HG2 GLU 105 2HG GLU 105 1.683 5.569 -38.265 830 HG3 GLU 105 3HG GLU 105 2.795 6.711 -39.019 831 H HIS 106 H HIS 106 3.503 1.930 -35.534 832 HA HIS 106 HA HIS 106 6.445 2.024 -35.376 833 HB2 HIS 106 2HB HIS 106 4.349 1.373 -33.355 834 HB3 HIS 106 3HB HIS 106 5.887 0.519 -33.259 835 HD1 HIS 106 HD1 HIS 106 6.883 1.622 -31.241 836 HD2 HIS 106 HD2 HIS 106 5.535 4.365 -34.055 837 HE1 HIS 106 HE1 HIS 106 7.689 3.864 -30.434 838 H HIS 107 H HIS 107 7.142 0.632 -36.893 839 HA HIS 107 HA HIS 107 5.859 -2.005 -37.073 840 HB2 HIS 107 2HB HIS 107 6.845 -2.212 -39.263 841 HB3 HIS 107 3HB HIS 107 6.046 -0.646 -39.161 842 HD1 HIS 107 HD1 HIS 107 7.590 1.461 -39.056 843 HD2 HIS 107 HD2 HIS 107 9.591 -2.131 -39.652 844 HE1 HIS 107 HE1 HIS 107 9.905 2.097 -39.802 845 H HIS 108 H HIS 108 8.799 -0.376 -36.240 846 HA HIS 108 HA HIS 108 10.663 -2.427 -36.455 847 HB2 HIS 108 2HB HIS 108 11.054 0.021 -35.834 848 HB3 HIS 108 3HB HIS 108 10.635 -0.439 -34.187 849 HD1 HIS 108 HD1 HIS 108 13.033 -1.780 -36.834 850 HD2 HIS 108 HD2 HIS 108 12.858 -0.965 -32.763 851 HE1 HIS 108 HE1 HIS 108 15.304 -2.374 -35.931 852 H HIS 109 H HIS 109 8.291 -1.774 -33.940 853 HA HIS 109 HA HIS 109 9.266 -3.943 -32.279 854 HB2 HIS 109 2HB HIS 109 6.793 -2.236 -31.937 855 HB3 HIS 109 3HB HIS 109 7.511 -3.292 -30.725 856 HD1 HIS 109 HD1 HIS 109 9.525 -2.406 -29.431 857 HD2 HIS 109 HD2 HIS 109 8.191 0.184 -32.394 858 HE1 HIS 109 HE1 HIS 109 10.724 -0.234 -29.016 859 H HIS 110 H HIS 110 6.759 -3.347 -34.616 860 HA HIS 110 HA HIS 110 5.731 -6.073 -34.172 861 HB2 HIS 110 2HB HIS 110 4.153 -4.077 -33.807 862 HB3 HIS 110 3HB HIS 110 4.196 -3.882 -35.557 863 HD1 HIS 110 HD1 HIS 110 1.793 -4.541 -36.005 864 HD2 HIS 110 HD2 HIS 110 3.895 -7.412 -33.861 865 HE1 HIS 110 HE1 HIS 110 0.306 -6.569 -35.960 866 H HIS 111 H HIS 111 7.511 -6.788 -35.546 867 HA HIS 111 HA HIS 111 7.955 -6.001 -38.167 868 HB2 HIS 111 2HB HIS 111 8.928 -8.253 -38.503 869 HB3 HIS 111 3HB HIS 111 9.471 -7.505 -37.004 870 HD1 HIS 111 HD1 HIS 111 9.488 -9.078 -35.111 871 HD2 HIS 111 HD2 HIS 111 6.539 -10.040 -37.875 872 HE1 HIS 111 HE1 HIS 111 8.388 -11.158 -34.224 Start of MODEL 20 1 H1 ASP 1 H ASP 1 22.193 -10.820 -29.125 2 HA ASP 1 HA ASP 1 20.925 -11.331 -26.535 3 HB2 ASP 1 2HB ASP 1 20.864 -13.001 -29.057 4 HB3 ASP 1 3HB ASP 1 19.898 -13.263 -27.608 5 H LEU 2 H LEU 2 21.985 -12.403 -25.015 6 HA LEU 2 HA LEU 2 24.007 -14.381 -25.819 7 HB2 LEU 2 2HB LEU 2 25.295 -13.644 -23.762 8 HB3 LEU 2 3HB LEU 2 25.330 -12.570 -25.159 9 HG LEU 2 HG LEU 2 23.322 -12.055 -23.018 10 HD11 LEU 2 1HD1 LEU 2 24.810 -11.020 -21.571 11 HD12 LEU 2 2HD1 LEU 2 26.102 -10.974 -22.770 12 HD13 LEU 2 3HD1 LEU 2 25.655 -12.504 -22.015 13 HD21 LEU 2 3HD2 LEU 2 23.009 -10.405 -24.501 14 HD22 LEU 2 1HD2 LEU 2 24.582 -10.654 -25.258 15 HD23 LEU 2 2HD2 LEU 2 24.457 -9.696 -23.783 16 H THR 3 H THR 3 21.358 -14.970 -25.172 17 HA THR 3 HA THR 3 21.768 -16.790 -22.981 18 HB THR 3 HB THR 3 21.115 -14.819 -21.707 19 HG1 THR 3 HG1 THR 3 20.095 -16.263 -20.554 20 HG21 THR 3 3HG2 THR 3 19.899 -13.642 -23.494 21 HG22 THR 3 1HG2 THR 3 18.942 -13.757 -22.017 22 HG23 THR 3 2HG2 THR 3 18.598 -14.826 -23.377 23 H VAL 4 H VAL 4 20.032 -18.338 -22.761 24 HA VAL 4 HA VAL 4 18.281 -18.449 -25.131 25 HB VAL 4 HB VAL 4 20.043 -20.119 -25.327 26 HG11 VAL 4 1HG1 VAL 4 20.437 -21.822 -23.724 27 HG12 VAL 4 2HG1 VAL 4 20.416 -20.295 -22.839 28 HG13 VAL 4 3HG1 VAL 4 19.014 -21.365 -22.788 29 HG21 VAL 4 3HG2 VAL 4 17.741 -20.620 -26.117 30 HG22 VAL 4 1HG2 VAL 4 18.668 -22.059 -25.692 31 HG23 VAL 4 2HG2 VAL 4 17.436 -21.446 -24.589 32 H ARG 5 H ARG 5 18.659 -19.124 -21.708 33 HA ARG 5 HA ARG 5 16.180 -20.369 -21.255 34 HB2 ARG 5 2HB ARG 5 17.694 -18.624 -19.308 35 HB3 ARG 5 3HB ARG 5 16.538 -19.891 -18.920 36 HG2 ARG 5 2HG ARG 5 18.082 -21.549 -19.908 37 HG3 ARG 5 3HG ARG 5 19.253 -20.254 -20.167 38 HD2 ARG 5 2HD ARG 5 19.679 -20.006 -17.917 39 HD3 ARG 5 3HD ARG 5 18.113 -20.663 -17.442 40 HE ARG 5 HE ARG 5 19.810 -22.594 -18.711 41 HH11 ARG 5 1HH1 ARG 5 19.033 -21.031 -15.699 42 HH12 ARG 5 2HH1 ARG 5 19.630 -22.330 -14.720 43 HH21 ARG 5 1HH2 ARG 5 20.599 -24.311 -17.433 44 HH22 ARG 5 2HH2 ARG 5 20.522 -24.195 -15.708 45 H GLN 6 H GLN 6 14.340 -19.445 -20.058 46 HA GLN 6 HA GLN 6 13.815 -16.664 -20.880 47 HB2 GLN 6 2HB GLN 6 11.422 -17.310 -21.032 48 HB3 GLN 6 3HB GLN 6 12.444 -18.166 -22.180 49 HG2 GLN 6 2HG GLN 6 11.740 -19.379 -19.537 50 HG3 GLN 6 3HG GLN 6 10.641 -19.477 -20.912 51 HE21 GLN 6 1HE2 GLN 6 12.147 -19.953 -23.017 52 HE22 GLN 6 2HE2 GLN 6 13.062 -21.407 -22.842 53 H LYS 7 H LYS 7 11.644 -15.983 -19.564 54 HA LYS 7 HA LYS 7 12.113 -16.613 -16.730 55 HB2 LYS 7 2HB LYS 7 12.155 -13.964 -18.083 56 HB3 LYS 7 3HB LYS 7 11.397 -14.047 -16.498 57 HG2 LYS 7 2HG LYS 7 14.099 -15.242 -16.867 58 HG3 LYS 7 3HG LYS 7 13.940 -13.488 -16.748 59 HD2 LYS 7 2HD LYS 7 14.228 -14.046 -14.538 60 HD3 LYS 7 3HD LYS 7 12.467 -14.076 -14.658 61 HE2 LYS 7 2HE LYS 7 12.369 -16.376 -14.582 62 HE3 LYS 7 3HE LYS 7 14.008 -16.572 -15.199 63 HZ1 LYS 7 3HZ LYS 7 13.775 -17.134 -12.824 64 HZ2 LYS 7 1HZ LYS 7 13.352 -15.528 -12.499 65 HZ3 LYS 7 2HZ LYS 7 14.892 -15.893 -13.097 66 H GLY 8 H GLY 8 10.308 -16.666 -15.425 67 HA2 GLY 8 2HA GLY 8 7.740 -15.783 -16.442 68 HA3 GLY 8 3HA GLY 8 7.917 -17.526 -16.304 69 H ASN 9 H ASN 9 7.435 -14.557 -14.622 70 HA ASN 9 HA ASN 9 7.726 -15.754 -11.997 71 HB2 ASN 9 2HB ASN 9 8.351 -13.359 -12.528 72 HB3 ASN 9 3HB ASN 9 6.628 -13.019 -12.662 73 HD21 ASN 9 1HD2 ASN 9 9.225 -13.875 -10.514 74 HD22 ASN 9 2HD2 ASN 9 8.397 -13.508 -9.043 75 H LYS 10 H LYS 10 5.930 -15.475 -10.395 76 HA LYS 10 HA LYS 10 3.642 -16.866 -11.244 77 HB2 LYS 10 2HB LYS 10 4.493 -16.865 -8.919 78 HB3 LYS 10 3HB LYS 10 3.989 -15.189 -8.751 79 HG2 LYS 10 2HG LYS 10 1.696 -15.770 -8.913 80 HG3 LYS 10 3HG LYS 10 2.084 -17.419 -9.410 81 HD2 LYS 10 2HD LYS 10 2.963 -16.313 -6.758 82 HD3 LYS 10 3HD LYS 10 1.374 -17.049 -6.979 83 HE2 LYS 10 2HE LYS 10 4.014 -18.384 -7.568 84 HE3 LYS 10 3HE LYS 10 3.047 -18.641 -6.117 85 HZ1 LYS 10 3HZ LYS 10 2.836 -19.959 -8.552 86 HZ2 LYS 10 1HZ LYS 10 1.439 -19.017 -8.399 87 HZ3 LYS 10 2HZ LYS 10 1.842 -20.133 -7.194 88 H VAL 11 H VAL 11 2.155 -16.090 -12.587 89 HA VAL 11 HA VAL 11 1.043 -13.425 -12.047 90 HB VAL 11 HB VAL 11 0.764 -13.151 -14.551 91 HG11 VAL 11 1HG1 VAL 11 3.210 -12.863 -12.953 92 HG12 VAL 11 2HG1 VAL 11 3.450 -12.787 -14.700 93 HG13 VAL 11 3HG1 VAL 11 2.332 -11.672 -13.913 94 HG21 VAL 11 3HG2 VAL 11 1.776 -14.528 -16.053 95 HG22 VAL 11 1HG2 VAL 11 3.084 -14.952 -14.949 96 HG23 VAL 11 2HG2 VAL 11 1.498 -15.703 -14.768 97 H ILE 12 H ILE 12 -1.112 -13.108 -13.015 98 HA ILE 12 HA ILE 12 -2.564 -15.639 -13.400 99 HB ILE 12 HB ILE 12 -4.484 -14.664 -12.167 100 HG12 ILE 12 2HG1 ILE 12 -2.485 -12.558 -11.315 101 HG13 ILE 12 3HG1 ILE 12 -3.814 -12.287 -12.436 102 HG21 ILE 12 1HG2 ILE 12 -3.027 -16.232 -11.050 103 HG22 ILE 12 2HG2 ILE 12 -1.910 -14.937 -10.621 104 HG23 ILE 12 3HG2 ILE 12 -3.525 -14.979 -9.913 105 HD11 ILE 12 3HD1 ILE 12 -5.130 -13.322 -10.309 106 HD12 ILE 12 1HD1 ILE 12 -3.812 -12.459 -9.515 107 HD13 ILE 12 2HD1 ILE 12 -4.898 -11.600 -10.608 108 H LYS 13 H LYS 13 -4.980 -14.944 -14.062 109 HA LYS 13 HA LYS 13 -4.668 -13.074 -16.319 110 HB2 LYS 13 2HB LYS 13 -6.647 -14.432 -17.269 111 HB3 LYS 13 3HB LYS 13 -5.047 -15.161 -17.296 112 HG2 LYS 13 2HG LYS 13 -5.573 -16.714 -15.707 113 HG3 LYS 13 3HG LYS 13 -6.802 -15.693 -14.957 114 HD2 LYS 13 2HD LYS 13 -7.217 -16.715 -17.735 115 HD3 LYS 13 3HD LYS 13 -7.507 -17.781 -16.358 116 HE2 LYS 13 2HE LYS 13 -9.246 -16.473 -15.552 117 HE3 LYS 13 3HE LYS 13 -8.703 -15.039 -16.422 118 HZ1 LYS 13 3HZ LYS 13 -9.915 -17.459 -17.647 119 HZ2 LYS 13 1HZ LYS 13 -9.374 -16.098 -18.495 120 HZ3 LYS 13 2HZ LYS 13 -10.682 -15.967 -17.431 121 HA PRO 14 HA PRO 14 -7.916 -10.550 -14.789 122 HB2 PRO 14 2HB PRO 14 -9.159 -9.790 -17.080 123 HB3 PRO 14 3HB PRO 14 -7.568 -9.185 -16.605 124 HG2 PRO 14 2HG PRO 14 -8.267 -11.361 -18.539 125 HG3 PRO 14 3HG PRO 14 -7.057 -10.074 -18.692 126 HD2 PRO 14 2HD PRO 14 -6.408 -12.609 -17.996 127 HD3 PRO 14 3HD PRO 14 -5.516 -11.195 -17.396 128 H ASP 15 H ASP 15 -9.826 -10.958 -13.870 129 HA ASP 15 HA ASP 15 -11.271 -13.310 -14.316 130 HB2 ASP 15 2HB ASP 15 -11.455 -11.011 -12.585 131 HB3 ASP 15 3HB ASP 15 -13.055 -11.460 -13.167 132 H GLU 16 H GLU 16 -13.887 -12.877 -14.530 133 HA GLU 16 HA GLU 16 -14.191 -12.211 -17.320 134 HB2 GLU 16 2HB GLU 16 -15.884 -13.480 -15.224 135 HB3 GLU 16 3HB GLU 16 -16.698 -12.749 -16.600 136 HG2 GLU 16 2HG GLU 16 -14.992 -14.145 -17.991 137 HG3 GLU 16 3HG GLU 16 -14.865 -15.095 -16.512 138 H THR 17 H THR 17 -15.166 -10.461 -18.187 139 HA THR 17 HA THR 17 -15.682 -8.218 -18.251 140 HB THR 17 HB THR 17 -17.883 -9.295 -18.147 141 HG1 THR 17 HG1 THR 17 -18.942 -7.425 -17.698 142 HG21 THR 17 3HG2 THR 17 -17.482 -9.025 -15.176 143 HG22 THR 17 1HG2 THR 17 -17.849 -10.481 -16.100 144 HG23 THR 17 2HG2 THR 17 -19.075 -9.229 -15.904 145 H ARG 18 H ARG 18 -13.633 -8.638 -16.401 146 HA ARG 18 HA ARG 18 -14.017 -7.679 -13.832 147 HB2 ARG 18 2HB ARG 18 -11.719 -7.785 -15.711 148 HB3 ARG 18 3HB ARG 18 -11.564 -6.714 -14.325 149 HG2 ARG 18 2HG ARG 18 -12.431 -8.900 -13.065 150 HG3 ARG 18 3HG ARG 18 -11.644 -9.664 -14.447 151 HD2 ARG 18 2HD ARG 18 -10.102 -9.433 -12.569 152 HD3 ARG 18 3HD ARG 18 -9.580 -8.464 -13.946 153 HE ARG 18 HE ARG 18 -9.917 -6.562 -12.703 154 HH11 ARG 18 1HH1 ARG 18 -11.367 -9.284 -11.088 155 HH12 ARG 18 2HH1 ARG 18 -11.685 -8.412 -9.625 156 HH21 ARG 18 1HH2 ARG 18 -10.331 -5.404 -10.782 157 HH22 ARG 18 2HH2 ARG 18 -11.096 -6.205 -9.452 158 H VAL 19 H VAL 19 -12.889 -5.497 -13.125 159 HA VAL 19 HA VAL 19 -14.597 -3.413 -13.819 160 HB VAL 19 HB VAL 19 -13.348 -3.381 -11.739 161 HG11 VAL 19 1HG1 VAL 19 -11.161 -3.759 -11.605 162 HG12 VAL 19 2HG1 VAL 19 -11.167 -4.053 -13.345 163 HG13 VAL 19 3HG1 VAL 19 -10.806 -2.442 -12.723 164 HG21 VAL 19 3HG2 VAL 19 -12.333 -1.018 -13.277 165 HG22 VAL 19 1HG2 VAL 19 -14.060 -1.243 -12.998 166 HG23 VAL 19 2HG2 VAL 19 -12.958 -1.090 -11.629 167 H LYS 20 H LYS 20 -14.444 -1.651 -15.166 168 HA LYS 20 HA LYS 20 -12.102 -1.183 -16.774 169 HB2 LYS 20 2HB LYS 20 -13.637 -1.364 -18.903 170 HB3 LYS 20 3HB LYS 20 -12.809 -2.781 -18.271 171 HG2 LYS 20 2HG LYS 20 -15.124 -3.268 -18.866 172 HG3 LYS 20 3HG LYS 20 -14.834 -3.491 -17.139 173 HD2 LYS 20 2HD LYS 20 -16.163 -1.742 -16.553 174 HD3 LYS 20 3HD LYS 20 -15.775 -0.820 -18.007 175 HE2 LYS 20 2HE LYS 20 -17.191 -2.376 -19.315 176 HE3 LYS 20 3HE LYS 20 -17.636 -3.186 -17.814 177 HZ1 LYS 20 3HZ LYS 20 -19.282 -1.532 -18.567 178 HZ2 LYS 20 1HZ LYS 20 -18.126 -0.312 -18.370 179 HZ3 LYS 20 2HZ LYS 20 -18.666 -1.190 -17.029 180 H GLN 21 H GLN 21 -12.346 0.717 -18.170 181 HA GLN 21 HA GLN 21 -14.611 2.439 -17.446 182 HB2 GLN 21 2HB GLN 21 -11.707 2.951 -17.009 183 HB3 GLN 21 3HB GLN 21 -12.720 4.306 -17.491 184 HG2 GLN 21 2HG GLN 21 -12.938 4.517 -15.258 185 HG3 GLN 21 3HG GLN 21 -14.237 3.355 -15.526 186 HE21 GLN 21 1HE2 GLN 21 -10.960 3.786 -14.405 187 HE22 GLN 21 2HE2 GLN 21 -10.859 2.306 -13.520 188 H PHE 22 H PHE 22 -14.240 4.634 -18.802 189 HA PHE 22 HA PHE 22 -14.735 3.969 -21.467 190 HB2 PHE 22 2HB PHE 22 -15.450 6.083 -20.365 191 HB3 PHE 22 3HB PHE 22 -13.780 6.637 -20.410 192 HD1 PHE 22 HD2 PHE 22 -16.339 5.247 -22.745 193 HD2 PHE 22 HD1 PHE 22 -13.194 8.045 -22.117 194 HE1 PHE 22 HE2 PHE 22 -16.710 6.163 -24.997 195 HE2 PHE 22 HE1 PHE 22 -13.561 8.967 -24.369 196 HZ PHE 22 HZ PHE 22 -15.320 8.025 -25.813 197 H LEU 23 H LEU 23 -11.851 5.582 -20.121 198 HA LEU 23 HA LEU 23 -10.365 5.350 -22.536 199 HB2 LEU 23 2HB LEU 23 -9.422 5.864 -19.719 200 HB3 LEU 23 3HB LEU 23 -8.454 6.077 -21.176 201 HG LEU 23 HG LEU 23 -9.080 8.240 -20.707 202 HD11 LEU 23 1HD1 LEU 23 -11.375 7.271 -22.403 203 HD12 LEU 23 2HD1 LEU 23 -9.750 7.615 -22.995 204 HD13 LEU 23 3HD1 LEU 23 -10.738 8.914 -22.326 205 HD21 LEU 23 3HD2 LEU 23 -11.947 7.867 -20.231 206 HD22 LEU 23 1HD2 LEU 23 -10.768 8.855 -19.366 207 HD23 LEU 23 2HD2 LEU 23 -10.901 7.131 -19.015 208 H GLU 24 H GLU 24 -10.711 3.375 -19.670 209 HA GLU 24 HA GLU 24 -8.461 1.703 -20.138 210 HB2 GLU 24 2HB GLU 24 -10.728 1.787 -18.284 211 HB3 GLU 24 3HB GLU 24 -10.220 0.155 -18.695 212 HG2 GLU 24 2HG GLU 24 -8.293 0.324 -17.559 213 HG3 GLU 24 3HG GLU 24 -8.043 2.007 -18.022 214 H GLY 25 H GLY 25 -11.379 2.023 -21.759 215 HA2 GLY 25 2HA GLY 25 -11.709 -0.753 -22.494 216 HA3 GLY 25 3HA GLY 25 -12.614 0.613 -23.131 217 H PHE 26 H PHE 26 -9.751 1.808 -23.564 218 HA PHE 26 HA PHE 26 -9.370 0.508 -26.178 219 HB2 PHE 26 2HB PHE 26 -8.494 3.299 -25.429 220 HB3 PHE 26 3HB PHE 26 -8.590 2.596 -27.040 221 HD1 PHE 26 HD1 PHE 26 -10.829 2.113 -28.031 222 HD2 PHE 26 HD2 PHE 26 -10.356 4.335 -24.431 223 HE1 PHE 26 HE1 PHE 26 -13.110 3.000 -28.283 224 HE2 PHE 26 HE2 PHE 26 -12.636 5.225 -24.677 225 HZ PHE 26 HZ PHE 26 -14.017 4.557 -26.604 226 H ASN 27 H ASN 27 -7.193 0.329 -26.990 227 HA ASN 27 HA ASN 27 -5.402 -0.821 -25.208 228 HB2 ASN 27 2HB ASN 27 -5.156 0.234 -28.000 229 HB3 ASN 27 3HB ASN 27 -3.705 -0.272 -27.140 230 HD21 ASN 27 1HD2 ASN 27 -3.142 -2.168 -27.931 231 HD22 ASN 27 2HD2 ASN 27 -4.191 -3.523 -28.155 232 H ILE 28 H ILE 28 -3.300 -0.126 -24.498 233 HA ILE 28 HA ILE 28 -3.332 2.614 -23.570 234 HB ILE 28 HB ILE 28 -2.654 0.777 -22.063 235 HG12 ILE 28 2HG1 ILE 28 -0.648 1.889 -21.150 236 HG13 ILE 28 3HG1 ILE 28 -0.468 2.786 -22.654 237 HG21 ILE 28 1HG2 ILE 28 -1.426 -0.414 -24.005 238 HG22 ILE 28 2HG2 ILE 28 -0.057 0.592 -23.535 239 HG23 ILE 28 3HG2 ILE 28 -0.766 -0.530 -22.374 240 HD11 ILE 28 3HD1 ILE 28 -3.107 3.174 -21.659 241 HD12 ILE 28 1HD1 ILE 28 -1.946 3.490 -20.369 242 HD13 ILE 28 2HD1 ILE 28 -1.821 4.357 -21.900 243 H GLU 29 H GLU 29 -1.796 0.762 -26.050 244 HA GLU 29 HA GLU 29 0.362 2.626 -26.475 245 HB2 GLU 29 2HB GLU 29 0.844 1.243 -28.470 246 HB3 GLU 29 3HB GLU 29 0.729 0.292 -26.996 247 HG2 GLU 29 2HG GLU 29 -1.277 -0.672 -27.614 248 HG3 GLU 29 3HG GLU 29 -1.656 0.612 -28.761 249 H THR 30 H THR 30 -2.879 2.183 -27.606 250 HA THR 30 HA THR 30 -2.705 3.631 -30.026 251 HB THR 30 HB THR 30 -5.197 3.937 -29.736 252 HG1 THR 30 HG1 THR 30 -6.077 3.436 -27.874 253 HG21 THR 30 3HG2 THR 30 -4.611 2.079 -31.012 254 HG22 THR 30 1HG2 THR 30 -5.613 1.381 -29.741 255 HG23 THR 30 2HG2 THR 30 -3.856 1.256 -29.648 256 H PHE 31 H PHE 31 -2.688 4.620 -26.750 257 HA PHE 31 HA PHE 31 -3.681 7.284 -27.236 258 HB2 PHE 31 2HB PHE 31 -2.289 6.125 -24.811 259 HB3 PHE 31 3HB PHE 31 -3.086 7.694 -24.881 260 HD1 PHE 31 HD1 PHE 31 -5.488 6.846 -26.509 261 HD2 PHE 31 HD2 PHE 31 -3.576 5.100 -23.131 262 HE1 PHE 31 HE1 PHE 31 -7.614 5.796 -25.853 263 HE2 PHE 31 HE2 PHE 31 -5.699 4.046 -22.470 264 HZ PHE 31 HZ PHE 31 -7.721 4.393 -23.832 265 H GLU 32 H GLU 32 -2.434 9.217 -26.957 266 HA GLU 32 HA GLU 32 0.466 8.909 -27.262 267 HB2 GLU 32 2HB GLU 32 -1.264 10.632 -29.045 268 HB3 GLU 32 3HB GLU 32 0.492 10.569 -29.076 269 HG2 GLU 32 2HG GLU 32 -0.477 7.920 -29.339 270 HG3 GLU 32 3HG GLU 32 -1.368 8.944 -30.464 271 H MET 33 H MET 33 1.593 10.293 -26.047 272 HA MET 33 HA MET 33 0.444 11.909 -24.120 273 HB2 MET 33 2HB MET 33 2.767 11.134 -24.024 274 HB3 MET 33 3HB MET 33 3.183 12.185 -25.370 275 HG2 MET 33 2HG MET 33 2.305 14.079 -23.843 276 HG3 MET 33 3HG MET 33 2.521 12.902 -22.550 277 HE1 MET 33 3HE MET 33 5.148 14.107 -21.206 278 HE2 MET 33 1HE MET 33 5.208 15.541 -22.232 279 HE3 MET 33 2HE MET 33 3.652 14.894 -21.713 280 H VAL 34 H VAL 34 -0.422 13.885 -24.099 281 HA VAL 34 HA VAL 34 -0.175 15.522 -26.534 282 HB VAL 34 HB VAL 34 -2.468 14.814 -26.052 283 HG11 VAL 34 1HG1 VAL 34 -3.574 15.868 -24.013 284 HG12 VAL 34 2HG1 VAL 34 -2.513 14.487 -23.725 285 HG13 VAL 34 3HG1 VAL 34 -1.941 16.124 -23.400 286 HG21 VAL 34 3HG2 VAL 34 -2.410 17.722 -25.369 287 HG22 VAL 34 1HG2 VAL 34 -1.774 17.174 -26.920 288 HG23 VAL 34 2HG2 VAL 34 -3.455 16.853 -26.493 289 H GLY 35 H GLY 35 0.354 15.428 -23.119 290 HA2 GLY 35 2HA GLY 35 2.039 17.658 -23.089 291 HA3 GLY 35 3HA GLY 35 0.445 18.196 -22.580 292 H THR 36 H THR 36 2.182 18.614 -20.728 293 HA THR 36 HA THR 36 1.559 16.635 -18.692 294 HB THR 36 HB THR 36 4.123 16.990 -17.978 295 HG1 THR 36 HG1 THR 36 4.315 18.117 -20.164 296 HG21 THR 36 3HG2 THR 36 2.960 14.917 -19.828 297 HG22 THR 36 1HG2 THR 36 3.168 14.821 -18.080 298 HG23 THR 36 2HG2 THR 36 4.578 14.783 -19.139 299 H LEU 37 H LEU 37 1.131 17.573 -16.786 300 HA LEU 37 HA LEU 37 1.838 20.415 -16.478 301 HB2 LEU 37 2HB LEU 37 -0.554 20.016 -16.603 302 HB3 LEU 37 3HB LEU 37 -0.445 18.844 -15.291 303 HG LEU 37 HG LEU 37 0.591 21.125 -14.156 304 HD11 LEU 37 1HD1 LEU 37 -1.509 22.655 -14.733 305 HD12 LEU 37 2HD1 LEU 37 -1.329 21.849 -16.291 306 HD13 LEU 37 3HD1 LEU 37 0.016 22.766 -15.612 307 HD21 LEU 37 3HD2 LEU 37 -1.916 19.590 -14.044 308 HD22 LEU 37 1HD2 LEU 37 -1.996 21.223 -13.383 309 HD23 LEU 37 2HD2 LEU 37 -0.817 20.072 -12.751 310 H SER 38 H SER 38 2.481 21.175 -14.415 311 HA SER 38 HA SER 38 3.113 19.203 -12.368 312 HB2 SER 38 2HB SER 38 5.069 19.488 -14.066 313 HB3 SER 38 3HB SER 38 5.321 21.036 -13.260 314 HG SER 38 HG SER 38 6.421 18.981 -12.458 315 H ASN 39 H ASN 39 3.401 20.079 -10.309 316 HA ASN 39 HA ASN 39 3.683 22.805 -9.720 317 HB2 ASN 39 2HB ASN 39 1.169 22.851 -8.750 318 HB3 ASN 39 3HB ASN 39 1.600 23.484 -10.336 319 HD21 ASN 39 1HD2 ASN 39 0.264 20.737 -8.623 320 HD22 ASN 39 2HD2 ASN 39 -0.593 20.074 -9.968 321 H ALA 40 H ALA 40 2.499 23.148 -7.357 322 HA ALA 40 HA ALA 40 3.994 21.687 -5.557 323 HB1 ALA 40 1HB ALA 40 1.373 23.112 -5.126 324 HB2 ALA 40 2HB ALA 40 2.407 22.512 -3.828 325 HB3 ALA 40 3HB ALA 40 2.996 23.770 -4.914 326 H GLN 41 H GLN 41 0.774 21.016 -6.814 327 HA GLN 41 HA GLN 41 0.079 18.949 -5.043 328 HB2 GLN 41 2HB GLN 41 -0.768 19.094 -7.932 329 HB3 GLN 41 3HB GLN 41 -1.649 18.394 -6.581 330 HG2 GLN 41 2HG GLN 41 -1.127 21.308 -7.104 331 HG3 GLN 41 3HG GLN 41 -2.674 20.465 -7.168 332 HE21 GLN 41 1HE2 GLN 41 -0.362 22.030 -5.189 333 HE22 GLN 41 2HE2 GLN 41 -1.212 21.886 -3.691 334 H GLY 42 H GLY 42 2.135 19.021 -7.853 335 HA2 GLY 42 2HA GLY 42 3.814 17.083 -7.596 336 HA3 GLY 42 3HA GLY 42 2.377 16.088 -7.781 337 H THR 43 H THR 43 3.500 15.173 -9.625 338 HA THR 43 HA THR 43 3.490 16.926 -11.990 339 HB THR 43 HB THR 43 4.790 14.219 -11.935 340 HG1 THR 43 HG1 THR 43 5.683 15.378 -10.183 341 HG21 THR 43 3HG2 THR 43 4.432 15.583 -14.053 342 HG22 THR 43 1HG2 THR 43 6.080 15.046 -13.733 343 HG23 THR 43 2HG2 THR 43 5.617 16.715 -13.401 344 H PHE 44 H PHE 44 1.834 16.699 -13.328 345 HA PHE 44 HA PHE 44 0.434 14.110 -13.412 346 HB2 PHE 44 2HB PHE 44 -0.660 16.836 -14.135 347 HB3 PHE 44 3HB PHE 44 -1.564 15.326 -14.086 348 HD1 PHE 44 HD2 PHE 44 0.264 17.769 -11.998 349 HD2 PHE 44 HD1 PHE 44 -2.515 14.547 -12.089 350 HE1 PHE 44 HE2 PHE 44 -0.288 18.184 -9.637 351 HE2 PHE 44 HE1 PHE 44 -3.073 14.957 -9.728 352 HZ PHE 44 HZ PHE 44 -1.958 16.777 -8.498 353 H ALA 45 H ALA 45 -0.186 13.249 -15.408 354 HA ALA 45 HA ALA 45 1.249 14.383 -17.720 355 HB1 ALA 45 1HB ALA 45 2.247 12.314 -17.272 356 HB2 ALA 45 2HB ALA 45 0.698 11.538 -16.938 357 HB3 ALA 45 3HB ALA 45 1.123 11.983 -18.591 358 H LEU 46 H LEU 46 0.142 14.838 -19.537 359 HA LEU 46 HA LEU 46 -2.732 14.205 -19.555 360 HB2 LEU 46 2HB LEU 46 -1.483 16.353 -21.220 361 HB3 LEU 46 3HB LEU 46 -3.153 16.196 -20.680 362 HG LEU 46 HG LEU 46 -0.780 17.009 -19.004 363 HD11 LEU 46 1HD1 LEU 46 -1.900 18.628 -20.676 364 HD12 LEU 46 2HD1 LEU 46 -1.638 19.160 -19.016 365 HD13 LEU 46 3HD1 LEU 46 -3.240 18.629 -19.528 366 HD21 LEU 46 3HD2 LEU 46 -3.613 16.345 -18.281 367 HD22 LEU 46 1HD2 LEU 46 -2.658 17.470 -17.315 368 HD23 LEU 46 2HD2 LEU 46 -2.116 15.804 -17.521 369 H VAL 47 H VAL 47 -3.325 12.692 -20.947 370 HA VAL 47 HA VAL 47 -1.760 12.362 -23.424 371 HB VAL 47 HB VAL 47 -1.650 10.453 -21.768 372 HG11 VAL 47 1HG1 VAL 47 -4.278 9.478 -22.674 373 HG12 VAL 47 2HG1 VAL 47 -3.472 9.295 -21.115 374 HG13 VAL 47 3HG1 VAL 47 -4.313 10.796 -21.503 375 HG21 VAL 47 3HG2 VAL 47 -1.197 10.269 -24.221 376 HG22 VAL 47 1HG2 VAL 47 -1.748 8.773 -23.466 377 HG23 VAL 47 2HG2 VAL 47 -2.865 9.737 -24.433 378 H LYS 48 H LYS 48 -2.947 11.617 -25.301 379 HA LYS 48 HA LYS 48 -5.771 12.461 -25.250 380 HB2 LYS 48 2HB LYS 48 -4.517 14.041 -26.544 381 HB3 LYS 48 3HB LYS 48 -3.694 12.758 -27.420 382 HG2 LYS 48 2HG LYS 48 -5.404 12.454 -28.852 383 HG3 LYS 48 3HG LYS 48 -6.632 12.762 -27.621 384 HD2 LYS 48 2HD LYS 48 -5.799 15.213 -27.758 385 HD3 LYS 48 3HD LYS 48 -5.103 14.715 -29.301 386 HE2 LYS 48 2HE LYS 48 -7.095 15.162 -30.197 387 HE3 LYS 48 3HE LYS 48 -7.676 13.709 -29.386 388 HZ1 LYS 48 3HZ LYS 48 -8.070 15.253 -27.411 389 HZ2 LYS 48 1HZ LYS 48 -9.140 15.364 -28.717 390 HZ3 LYS 48 2HZ LYS 48 -7.922 16.521 -28.521 391 H GLY 49 H GLY 49 -7.282 11.227 -26.347 392 HA2 GLY 49 2HA GLY 49 -6.856 9.208 -28.176 393 HA3 GLY 49 3HA GLY 49 -6.677 8.450 -26.601 394 H ALA 50 H ALA 50 -8.610 7.443 -28.088 395 HA ALA 50 HA ALA 50 -10.848 7.038 -28.273 396 HB1 ALA 50 1HB ALA 50 -10.857 8.191 -25.486 397 HB2 ALA 50 2HB ALA 50 -12.110 7.172 -26.195 398 HB3 ALA 50 3HB ALA 50 -10.499 6.516 -25.908 399 H GLY 51 H GLY 51 -9.874 9.683 -29.155 400 HA2 GLY 51 2HA GLY 51 -10.838 11.537 -30.118 401 HA3 GLY 51 3HA GLY 51 -12.405 10.868 -29.689 402 H GLY 52 H GLY 52 -9.793 11.641 -27.445 403 HA2 GLY 52 2HA GLY 52 -10.824 14.173 -26.663 404 HA3 GLY 52 3HA GLY 52 -11.395 12.915 -25.576 405 H VAL 53 H VAL 53 -10.065 14.601 -24.225 406 HA VAL 53 HA VAL 53 -7.266 13.687 -24.113 407 HB VAL 53 HB VAL 53 -6.928 15.807 -22.728 408 HG11 VAL 53 1HG1 VAL 53 -7.701 16.223 -25.610 409 HG12 VAL 53 2HG1 VAL 53 -6.522 17.140 -24.670 410 HG13 VAL 53 3HG1 VAL 53 -6.199 15.458 -25.093 411 HG21 VAL 53 3HG2 VAL 53 -9.525 16.587 -24.050 412 HG22 VAL 53 1HG2 VAL 53 -9.342 16.210 -22.337 413 HG23 VAL 53 2HG2 VAL 53 -8.509 17.603 -23.027 414 H HIS 54 H HIS 54 -6.423 12.943 -22.209 415 HA HIS 54 HA HIS 54 -8.240 12.805 -19.898 416 HB2 HIS 54 2HB HIS 54 -6.384 10.541 -20.206 417 HB3 HIS 54 3HB HIS 54 -8.077 10.554 -19.721 418 HD1 HIS 54 HD1 HIS 54 -6.129 9.137 -22.212 419 HD2 HIS 54 HD2 HIS 54 -9.657 11.330 -22.312 420 HE1 HIS 54 HE1 HIS 54 -7.208 8.575 -24.413 421 H ARG 55 H ARG 55 -7.248 12.759 -17.844 422 HA ARG 55 HA ARG 55 -4.397 13.502 -17.833 423 HB2 ARG 55 2HB ARG 55 -4.827 15.092 -16.055 424 HB3 ARG 55 3HB ARG 55 -5.848 15.465 -17.437 425 HG2 ARG 55 2HG ARG 55 -7.594 13.993 -16.152 426 HG3 ARG 55 3HG ARG 55 -6.592 14.407 -14.759 427 HD2 ARG 55 2HD ARG 55 -6.976 16.716 -15.043 428 HD3 ARG 55 3HD ARG 55 -7.631 16.486 -16.664 429 HE ARG 55 HE ARG 55 -9.143 15.169 -14.603 430 HH11 ARG 55 1HH1 ARG 55 -8.659 18.142 -16.349 431 HH12 ARG 55 2HH1 ARG 55 -10.262 18.729 -16.051 432 HH21 ARG 55 1HH2 ARG 55 -11.255 15.932 -14.204 433 HH22 ARG 55 2HH2 ARG 55 -11.737 17.472 -14.831 434 H VAL 56 H VAL 56 -3.128 12.439 -16.430 435 HA VAL 56 HA VAL 56 -4.331 11.008 -14.183 436 HB VAL 56 HB VAL 56 -2.908 8.987 -14.756 437 HG11 VAL 56 1HG1 VAL 56 -4.661 7.968 -15.854 438 HG12 VAL 56 2HG1 VAL 56 -5.456 9.382 -15.158 439 HG13 VAL 56 3HG1 VAL 56 -4.991 9.379 -16.859 440 HG21 VAL 56 3HG2 VAL 56 -2.152 8.666 -16.982 441 HG22 VAL 56 1HG2 VAL 56 -2.960 10.131 -17.540 442 HG23 VAL 56 2HG2 VAL 56 -1.558 10.248 -16.476 443 H ARG 57 H ARG 57 -2.726 10.233 -12.628 444 HA ARG 57 HA ARG 57 -0.172 11.687 -12.791 445 HB2 ARG 57 2HB ARG 57 -0.328 12.377 -10.526 446 HB3 ARG 57 3HB ARG 57 -1.874 12.773 -11.264 447 HG2 ARG 57 2HG ARG 57 -2.872 10.786 -10.272 448 HG3 ARG 57 3HG ARG 57 -1.318 10.358 -9.554 449 HD2 ARG 57 2HD ARG 57 -2.977 12.805 -8.963 450 HD3 ARG 57 3HD ARG 57 -2.707 11.428 -7.895 451 HE ARG 57 HE ARG 57 -0.928 13.638 -8.361 452 HH11 ARG 57 1HH1 ARG 57 -1.164 10.314 -7.352 453 HH12 ARG 57 2HH1 ARG 57 0.301 10.354 -6.428 454 HH21 ARG 57 1HH2 ARG 57 1.002 13.703 -7.147 455 HH22 ARG 57 2HH2 ARG 57 1.531 12.283 -6.311 456 H VAL 58 H VAL 58 1.268 10.861 -10.832 457 HA VAL 58 HA VAL 58 2.088 8.291 -11.408 458 HB VAL 58 HB VAL 58 2.421 9.738 -8.776 459 HG11 VAL 58 1HG1 VAL 58 3.686 7.282 -9.931 460 HG12 VAL 58 2HG1 VAL 58 4.564 8.292 -8.780 461 HG13 VAL 58 3HG1 VAL 58 3.035 7.547 -8.314 462 HG21 VAL 58 3HG2 VAL 58 3.470 11.191 -10.169 463 HG22 VAL 58 1HG2 VAL 58 4.782 10.025 -9.997 464 HG23 VAL 58 2HG2 VAL 58 3.738 9.974 -11.417 465 H GLY 59 H GLY 59 1.108 6.402 -11.144 466 HA2 GLY 59 2HA GLY 59 0.345 4.717 -9.570 467 HA3 GLY 59 3HA GLY 59 -0.497 5.992 -8.702 468 H ASP 60 H ASP 60 -1.511 7.222 -11.164 469 HA ASP 60 HA ASP 60 -3.987 5.950 -11.326 470 HB2 ASP 60 2HB ASP 60 -2.589 7.981 -13.034 471 HB3 ASP 60 3HB ASP 60 -4.133 7.311 -13.554 472 H TYR 61 H TYR 61 -4.951 5.180 -13.476 473 HA TYR 61 HA TYR 61 -3.049 3.465 -14.918 474 HB2 TYR 61 2HB TYR 61 -5.788 2.524 -14.069 475 HB3 TYR 61 3HB TYR 61 -4.489 1.567 -14.773 476 HD1 TYR 61 HD1 TYR 61 -5.620 3.307 -11.724 477 HD2 TYR 61 HD2 TYR 61 -2.736 0.676 -13.416 478 HE1 TYR 61 HE1 TYR 61 -4.837 2.723 -9.466 479 HE2 TYR 61 HE2 TYR 61 -1.946 0.084 -11.163 480 HH TYR 61 HH TYR 61 -3.314 1.621 -8.273 481 H LEU 62 H LEU 62 -3.571 3.009 -17.064 482 HA LEU 62 HA LEU 62 -6.017 4.037 -18.214 483 HB2 LEU 62 2HB LEU 62 -3.354 5.319 -18.642 484 HB3 LEU 62 3HB LEU 62 -4.533 5.298 -19.952 485 HG LEU 62 HG LEU 62 -4.929 6.549 -17.234 486 HD11 LEU 62 1HD1 LEU 62 -5.049 8.637 -18.716 487 HD12 LEU 62 2HD1 LEU 62 -4.231 7.655 -19.931 488 HD13 LEU 62 3HD1 LEU 62 -3.459 7.953 -18.374 489 HD21 LEU 62 3HD2 LEU 62 -7.031 5.747 -18.044 490 HD22 LEU 62 1HD2 LEU 62 -6.714 6.389 -19.656 491 HD23 LEU 62 2HD2 LEU 62 -6.977 7.491 -18.304 492 H GLY 63 H GLY 63 -6.432 3.248 -20.304 493 HA2 GLY 63 2HA GLY 63 -6.004 1.993 -22.237 494 HA3 GLY 63 3HA GLY 63 -4.439 1.546 -21.573 495 H ARG 64 H ARG 64 -6.050 -0.320 -22.813 496 HA ARG 64 HA ARG 64 -7.644 -1.768 -20.939 497 HB2 ARG 64 2HB ARG 64 -6.793 -2.077 -23.736 498 HB3 ARG 64 3HB ARG 64 -7.013 -3.595 -22.875 499 HG2 ARG 64 2HG ARG 64 -9.288 -2.693 -22.185 500 HG3 ARG 64 3HG ARG 64 -9.034 -1.444 -23.406 501 HD2 ARG 64 2HD ARG 64 -10.224 -3.085 -24.548 502 HD3 ARG 64 3HD ARG 64 -8.550 -3.400 -25.003 503 HE ARG 64 HE ARG 64 -9.047 -4.965 -22.787 504 HH11 ARG 64 1HH1 ARG 64 -10.320 -4.640 -26.011 505 HH12 ARG 64 2HH1 ARG 64 -10.778 -6.306 -26.139 506 HH21 ARG 64 1HH2 ARG 64 -9.645 -7.161 -22.944 507 HH22 ARG 64 2HH2 ARG 64 -10.394 -7.739 -24.394 508 H ASN 65 H ASN 65 -4.299 -1.523 -21.492 509 HA ASN 65 HA ASN 65 -3.705 -4.142 -20.353 510 HB2 ASN 65 2HB ASN 65 -1.799 -1.975 -21.261 511 HB3 ASN 65 3HB ASN 65 -1.379 -3.637 -20.859 512 HD21 ASN 65 1HD2 ASN 65 -3.161 -5.141 -22.109 513 HD22 ASN 65 2HD2 ASN 65 -3.117 -4.890 -23.818 514 H ASP 66 H ASP 66 -4.900 -1.710 -18.915 515 HA ASP 66 HA ASP 66 -4.741 -0.671 -16.892 516 HB2 ASP 66 2HB ASP 66 -3.383 -3.310 -16.408 517 HB3 ASP 66 3HB ASP 66 -3.538 -2.123 -15.116 518 H GLY 67 H GLY 67 -2.958 0.374 -18.673 519 HA2 GLY 67 2HA GLY 67 -0.264 0.397 -17.935 520 HA3 GLY 67 3HA GLY 67 -1.090 1.702 -18.773 521 H LYS 68 H LYS 68 0.188 0.587 -15.783 522 HA LYS 68 HA LYS 68 -0.973 2.755 -14.240 523 HB2 LYS 68 2HB LYS 68 -0.698 0.569 -13.182 524 HB3 LYS 68 3HB LYS 68 1.035 0.626 -13.480 525 HG2 LYS 68 2HG LYS 68 0.989 2.781 -12.076 526 HG3 LYS 68 3HG LYS 68 -0.594 2.216 -11.539 527 HD2 LYS 68 2HD LYS 68 0.990 1.444 -9.945 528 HD3 LYS 68 3HD LYS 68 0.515 0.045 -10.911 529 HE2 LYS 68 2HE LYS 68 2.539 0.226 -12.227 530 HE3 LYS 68 3HE LYS 68 2.997 1.697 -11.370 531 HZ1 LYS 68 3HZ LYS 68 3.573 -0.940 -10.676 532 HZ2 LYS 68 1HZ LYS 68 2.522 -0.338 -9.495 533 HZ3 LYS 68 2HZ LYS 68 3.971 0.469 -9.828 534 H VAL 69 H VAL 69 -0.089 4.701 -14.078 535 HA VAL 69 HA VAL 69 2.373 5.364 -15.317 536 HB VAL 69 HB VAL 69 0.787 7.001 -13.334 537 HG11 VAL 69 1HG1 VAL 69 2.858 8.045 -13.496 538 HG12 VAL 69 2HG1 VAL 69 3.042 7.633 -15.202 539 HG13 VAL 69 3HG1 VAL 69 1.893 8.879 -14.713 540 HG21 VAL 69 3HG2 VAL 69 0.128 8.097 -15.651 541 HG22 VAL 69 1HG2 VAL 69 0.451 6.466 -16.237 542 HG23 VAL 69 2HG2 VAL 69 -0.766 6.729 -14.988 543 H VAL 70 H VAL 70 4.374 5.206 -14.561 544 HA VAL 70 HA VAL 70 4.767 5.043 -11.643 545 HB VAL 70 HB VAL 70 6.564 3.513 -11.937 546 HG11 VAL 70 1HG1 VAL 70 5.162 1.802 -12.134 547 HG12 VAL 70 2HG1 VAL 70 3.940 2.922 -12.740 548 HG13 VAL 70 3HG1 VAL 70 5.002 2.078 -13.868 549 HG21 VAL 70 3HG2 VAL 70 7.827 4.023 -13.750 550 HG22 VAL 70 1HG2 VAL 70 6.874 2.728 -14.476 551 HG23 VAL 70 2HG2 VAL 70 6.430 4.412 -14.753 552 H GLY 71 H GLY 71 5.820 6.390 -14.676 553 HA2 GLY 71 2HA GLY 71 7.550 8.240 -13.183 554 HA3 GLY 71 3HA GLY 71 8.203 7.404 -14.584 555 H ILE 72 H ILE 72 7.664 10.302 -13.976 556 HA ILE 72 HA ILE 72 6.207 10.871 -16.465 557 HB ILE 72 HB ILE 72 5.892 12.389 -13.872 558 HG12 ILE 72 2HG1 ILE 72 3.699 11.056 -15.436 559 HG13 ILE 72 3HG1 ILE 72 4.663 10.137 -14.285 560 HG21 ILE 72 1HG2 ILE 72 4.154 13.647 -15.232 561 HG22 ILE 72 2HG2 ILE 72 5.844 14.002 -15.583 562 HG23 ILE 72 3HG2 ILE 72 4.923 12.952 -16.659 563 HD11 ILE 72 3HD1 ILE 72 2.739 12.361 -13.792 564 HD12 ILE 72 1HD1 ILE 72 2.843 10.774 -13.030 565 HD13 ILE 72 2HD1 ILE 72 4.024 12.023 -12.632 566 H SER 73 H SER 73 7.319 12.115 -17.818 567 HA SER 73 HA SER 73 9.556 13.700 -16.735 568 HB2 SER 73 2HB SER 73 10.133 11.726 -18.233 569 HB3 SER 73 3HB SER 73 9.377 12.621 -19.551 570 HG SER 73 HG SER 73 11.749 13.139 -18.166 571 H GLU 74 H GLU 74 10.172 15.172 -18.978 572 HA GLU 74 HA GLU 74 7.908 17.017 -19.052 573 HB2 GLU 74 2HB GLU 74 9.474 18.684 -19.795 574 HB3 GLU 74 3HB GLU 74 10.171 17.841 -18.419 575 HG2 GLU 74 2HG GLU 74 11.392 16.401 -20.119 576 HG3 GLU 74 3HG GLU 74 10.900 17.597 -21.317 577 H GLY 75 H GLY 75 9.497 14.711 -21.010 578 HA2 GLY 75 2HA GLY 75 7.899 15.608 -23.320 579 HA3 GLY 75 3HA GLY 75 9.583 15.153 -23.527 580 H LYS 76 H LYS 76 8.051 13.308 -21.154 581 HA LYS 76 HA LYS 76 6.777 11.360 -22.771 582 HB2 LYS 76 2HB LYS 76 8.436 9.537 -22.474 583 HB3 LYS 76 3HB LYS 76 9.010 10.828 -23.521 584 HG2 LYS 76 2HG LYS 76 9.689 10.972 -20.635 585 HG3 LYS 76 3HG LYS 76 10.527 9.782 -21.634 586 HD2 LYS 76 2HD LYS 76 10.878 11.804 -23.247 587 HD3 LYS 76 3HD LYS 76 10.562 12.767 -21.803 588 HE2 LYS 76 2HE LYS 76 12.920 12.475 -21.965 589 HE3 LYS 76 3HE LYS 76 12.352 11.454 -20.644 590 HZ1 LYS 76 3HZ LYS 76 13.487 9.850 -21.668 591 HZ2 LYS 76 1HZ LYS 76 13.615 10.714 -23.116 592 HZ3 LYS 76 2HZ LYS 76 12.223 9.811 -22.791 593 H ILE 77 H ILE 77 6.284 9.348 -21.498 594 HA ILE 77 HA ILE 77 6.451 9.725 -18.602 595 HB ILE 77 HB ILE 77 3.839 9.169 -20.012 596 HG12 ILE 77 2HG1 ILE 77 3.365 11.457 -18.729 597 HG13 ILE 77 3HG1 ILE 77 5.096 11.665 -18.976 598 HG21 ILE 77 1HG2 ILE 77 2.827 9.243 -17.847 599 HG22 ILE 77 2HG2 ILE 77 4.168 8.100 -17.781 600 HG23 ILE 77 3HG2 ILE 77 4.351 9.714 -17.094 601 HD11 ILE 77 3HD1 ILE 77 3.200 12.426 -20.732 602 HD12 ILE 77 1HD1 ILE 77 4.861 12.034 -21.172 603 HD13 ILE 77 2HD1 ILE 77 3.592 10.822 -21.349 604 H ASP 78 H ASP 78 6.992 7.893 -17.622 605 HA ASP 78 HA ASP 78 6.933 5.406 -19.136 606 HB2 ASP 78 2HB ASP 78 8.323 6.336 -16.651 607 HB3 ASP 78 3HB ASP 78 8.137 4.609 -16.943 608 H VAL 79 H VAL 79 5.501 3.828 -18.827 609 HA VAL 79 HA VAL 79 4.040 3.675 -16.294 610 HB VAL 79 HB VAL 79 1.893 3.514 -17.323 611 HG11 VAL 79 1HG1 VAL 79 3.175 5.815 -17.084 612 HG12 VAL 79 2HG1 VAL 79 2.964 5.836 -18.836 613 HG13 VAL 79 3HG1 VAL 79 1.557 5.724 -17.778 614 HG21 VAL 79 3HG2 VAL 79 2.042 4.145 -19.962 615 HG22 VAL 79 1HG2 VAL 79 3.476 3.138 -19.764 616 HG23 VAL 79 2HG2 VAL 79 1.888 2.505 -19.332 617 H ILE 80 H ILE 80 3.163 1.620 -15.829 618 HA ILE 80 HA ILE 80 4.498 -0.548 -17.267 619 HB ILE 80 HB ILE 80 3.351 -0.268 -14.526 620 HG12 ILE 80 2HG1 ILE 80 5.788 0.066 -15.090 621 HG13 ILE 80 3HG1 ILE 80 5.474 -1.140 -13.847 622 HG21 ILE 80 1HG2 ILE 80 3.606 -2.843 -16.053 623 HG22 ILE 80 2HG2 ILE 80 3.628 -2.779 -14.292 624 HG23 ILE 80 3HG2 ILE 80 2.208 -2.222 -15.177 625 HD11 ILE 80 3HD1 ILE 80 5.966 -1.783 -16.742 626 HD12 ILE 80 1HD1 ILE 80 7.206 -1.798 -15.488 627 HD13 ILE 80 2HD1 ILE 80 5.847 -2.920 -15.399 628 H GLU 81 H GLU 81 3.412 -1.595 -18.786 629 HA GLU 81 HA GLU 81 0.480 -1.751 -18.577 630 HB2 GLU 81 2HB GLU 81 2.209 -2.051 -21.039 631 HB3 GLU 81 3HB GLU 81 0.452 -2.066 -20.998 632 HG2 GLU 81 2HG GLU 81 0.298 0.193 -20.675 633 HG3 GLU 81 3HG GLU 81 1.884 0.304 -19.915 634 H ILE 82 H ILE 82 -0.570 -3.719 -19.089 635 HA ILE 82 HA ILE 82 1.086 -6.072 -18.529 636 HB ILE 82 HB ILE 82 -1.926 -5.922 -18.528 637 HG12 ILE 82 2HG1 ILE 82 -1.011 -4.331 -16.893 638 HG13 ILE 82 3HG1 ILE 82 -1.782 -5.694 -16.090 639 HG21 ILE 82 1HG2 ILE 82 -1.829 -7.969 -17.281 640 HG22 ILE 82 2HG2 ILE 82 -0.861 -8.159 -18.742 641 HG23 ILE 82 3HG2 ILE 82 -0.070 -7.883 -17.190 642 HD11 ILE 82 3HD1 ILE 82 0.795 -4.695 -15.683 643 HD12 ILE 82 1HD1 ILE 82 0.079 -6.151 -14.992 644 HD13 ILE 82 2HD1 ILE 82 0.997 -6.248 -16.495 645 H VAL 83 H VAL 83 1.441 -7.613 -20.000 646 HA VAL 83 HA VAL 83 -0.299 -7.791 -22.350 647 HB VAL 83 HB VAL 83 1.706 -8.048 -23.820 648 HG11 VAL 83 1HG1 VAL 83 1.855 -5.784 -24.275 649 HG12 VAL 83 2HG1 VAL 83 0.336 -5.885 -23.384 650 HG13 VAL 83 3HG1 VAL 83 1.801 -5.332 -22.572 651 HG21 VAL 83 3HG2 VAL 83 3.596 -6.562 -22.350 652 HG22 VAL 83 1HG2 VAL 83 3.055 -7.875 -21.304 653 HG23 VAL 83 2HG2 VAL 83 3.719 -8.234 -22.898 654 HA PRO 84 HA PRO 84 0.067 -12.131 -21.788 655 HB2 PRO 84 2HB PRO 84 -0.208 -13.009 -24.343 656 HB3 PRO 84 3HB PRO 84 -1.553 -12.352 -23.402 657 HG2 PRO 84 2HG PRO 84 0.143 -11.012 -25.474 658 HG3 PRO 84 3HG PRO 84 -1.614 -10.933 -25.243 659 HD2 PRO 84 2HD PRO 84 0.056 -8.974 -24.402 660 HD3 PRO 84 3HD PRO 84 -1.448 -9.379 -23.549 661 H ASP 85 H ASP 85 1.410 -13.965 -22.178 662 HA ASP 85 HA ASP 85 4.111 -13.225 -23.008 663 HB2 ASP 85 2HB ASP 85 3.725 -14.326 -20.797 664 HB3 ASP 85 3HB ASP 85 3.175 -15.763 -21.655 665 H GLY 86 H GLY 86 1.849 -15.944 -23.498 666 HA2 GLY 86 2HA GLY 86 1.869 -16.125 -26.202 667 HA3 GLY 86 3HA GLY 86 3.371 -16.917 -25.749 668 H GLU 87 H GLU 87 2.014 -17.810 -23.187 669 HA GLU 87 HA GLU 87 0.728 -20.167 -24.367 670 HB2 GLU 87 2HB GLU 87 1.612 -19.904 -21.503 671 HB3 GLU 87 3HB GLU 87 1.335 -21.371 -22.430 672 HG2 GLU 87 2HG GLU 87 3.561 -19.410 -22.931 673 HG3 GLU 87 3HG GLU 87 3.717 -20.917 -22.030 674 H GLY 88 H GLY 88 0.169 -17.458 -22.261 675 HA2 GLY 88 2HA GLY 88 -2.443 -17.117 -22.411 676 HA3 GLY 88 3HA GLY 88 -2.401 -18.533 -21.371 677 H ASN 89 H ASN 89 0.277 -17.274 -20.372 678 HA ASN 89 HA ASN 89 -0.977 -15.873 -18.164 679 HB2 ASN 89 2HB ASN 89 1.016 -16.192 -16.987 680 HB3 ASN 89 3HB ASN 89 0.938 -17.619 -18.016 681 HD21 ASN 89 1HD2 ASN 89 2.539 -18.001 -19.418 682 HD22 ASN 89 2HD2 ASN 89 3.880 -16.947 -19.693 683 H TRP 90 H TRP 90 -0.247 -13.797 -17.413 684 HA TRP 90 HA TRP 90 0.523 -12.042 -19.638 685 HB2 TRP 90 2HB TRP 90 -0.782 -11.321 -17.005 686 HB3 TRP 90 3HB TRP 90 -0.482 -10.225 -18.351 687 HD1 TRP 90 HD1 TRP 90 -2.700 -13.222 -17.390 688 HE1 TRP 90 HE1 TRP 90 -4.784 -13.201 -18.900 689 HE3 TRP 90 HE3 TRP 90 -1.389 -9.408 -20.531 690 HZ2 TRP 90 HZ2 TRP 90 -5.745 -11.759 -21.129 691 HZ3 TRP 90 HZ3 TRP 90 -2.946 -8.770 -22.326 692 HH2 TRP 90 HH2 TRP 90 -5.078 -9.923 -22.617 693 H LEU 91 H LEU 91 1.820 -10.087 -19.001 694 HA LEU 91 HA LEU 91 3.581 -10.434 -16.723 695 HB2 LEU 91 2HB LEU 91 4.368 -11.586 -19.043 696 HB3 LEU 91 3HB LEU 91 5.050 -9.972 -19.232 697 HG LEU 91 HG LEU 91 5.979 -10.479 -16.802 698 HD11 LEU 91 1HD1 LEU 91 5.989 -12.601 -16.127 699 HD12 LEU 91 2HD1 LEU 91 6.449 -13.193 -17.722 700 HD13 LEU 91 3HD1 LEU 91 4.752 -12.884 -17.352 701 HD21 LEU 91 3HD2 LEU 91 7.404 -9.913 -18.627 702 HD22 LEU 91 1HD2 LEU 91 7.111 -11.464 -19.413 703 HD23 LEU 91 2HD2 LEU 91 8.029 -11.398 -17.909 704 H GLU 92 H GLU 92 5.042 -8.573 -16.434 705 HA GLU 92 HA GLU 92 3.644 -6.126 -16.979 706 HB2 GLU 92 2HB GLU 92 6.343 -6.543 -15.683 707 HB3 GLU 92 3HB GLU 92 5.391 -5.065 -15.642 708 HG2 GLU 92 2HG GLU 92 3.774 -6.011 -14.238 709 HG3 GLU 92 3HG GLU 92 4.337 -7.651 -14.554 710 H ARG 93 H ARG 93 4.416 -4.330 -18.136 711 HA ARG 93 HA ARG 93 6.782 -4.650 -19.795 712 HB2 ARG 93 2HB ARG 93 4.542 -5.553 -20.907 713 HB3 ARG 93 3HB ARG 93 4.307 -3.844 -21.246 714 HG2 ARG 93 2HG ARG 93 6.816 -4.086 -22.106 715 HG3 ARG 93 3HG ARG 93 6.277 -5.748 -22.353 716 HD2 ARG 93 2HD ARG 93 4.304 -4.824 -23.592 717 HD3 ARG 93 3HD ARG 93 5.062 -3.236 -23.487 718 HE ARG 93 HE ARG 93 5.728 -5.329 -25.297 719 HH11 ARG 93 1HH1 ARG 93 7.077 -2.692 -23.468 720 HH12 ARG 93 2HH1 ARG 93 8.405 -2.447 -24.554 721 HH21 ARG 93 1HH2 ARG 93 7.472 -5.017 -26.733 722 HH22 ARG 93 2HH2 ARG 93 8.628 -3.769 -26.411 723 HA PRO 94 HA PRO 94 6.376 -0.361 -18.284 724 HB2 PRO 94 2HB PRO 94 9.054 0.069 -18.176 725 HB3 PRO 94 3HB PRO 94 8.157 -0.734 -16.882 726 HG2 PRO 94 2HG PRO 94 9.801 -1.936 -19.076 727 HG3 PRO 94 3HG PRO 94 9.736 -2.373 -17.358 728 HD2 PRO 94 2HD PRO 94 8.422 -3.773 -19.268 729 HD3 PRO 94 3HD PRO 94 7.801 -3.600 -17.614 730 H ARG 95 H ARG 95 5.569 0.584 -20.137 731 HA ARG 95 HA ARG 95 7.468 1.073 -22.329 732 HB2 ARG 95 2HB ARG 95 4.490 0.838 -22.204 733 HB3 ARG 95 3HB ARG 95 5.211 1.835 -23.461 734 HG2 ARG 95 2HG ARG 95 6.680 -0.294 -23.876 735 HG3 ARG 95 3HG ARG 95 5.341 -1.111 -23.067 736 HD2 ARG 95 2HD ARG 95 4.982 -1.135 -25.455 737 HD3 ARG 95 3HD ARG 95 3.784 -0.094 -24.687 738 HE ARG 95 HE ARG 95 5.800 1.599 -25.403 739 HH11 ARG 95 1HH1 ARG 95 3.811 -0.711 -27.085 740 HH12 ARG 95 2HH1 ARG 95 3.857 0.149 -28.589 741 HH21 ARG 95 1HH2 ARG 95 5.868 2.741 -27.377 742 HH22 ARG 95 2HH2 ARG 95 5.028 2.112 -28.754 743 H SER 96 H SER 96 7.856 3.140 -23.070 744 HA SER 96 HA SER 96 6.970 5.294 -21.274 745 HB2 SER 96 2HB SER 96 9.128 6.094 -22.998 746 HB3 SER 96 3HB SER 96 9.101 5.983 -21.238 747 HG SER 96 HG SER 96 10.505 4.509 -22.805 748 H LEU 97 H LEU 97 5.543 6.693 -22.039 749 HA LEU 97 HA LEU 97 5.065 6.818 -24.919 750 HB2 LEU 97 2HB LEU 97 3.428 8.254 -22.871 751 HB3 LEU 97 3HB LEU 97 2.945 7.635 -24.449 752 HG LEU 97 HG LEU 97 3.422 6.041 -21.935 753 HD11 LEU 97 1HD1 LEU 97 1.029 5.426 -22.316 754 HD12 LEU 97 2HD1 LEU 97 0.971 6.668 -23.567 755 HD13 LEU 97 3HD1 LEU 97 1.297 7.117 -21.893 756 HD21 LEU 97 3HD2 LEU 97 3.348 5.247 -24.772 757 HD22 LEU 97 1HD2 LEU 97 2.359 4.282 -23.676 758 HD23 LEU 97 2HD2 LEU 97 4.090 4.448 -23.385 759 H THR 98 H THR 98 6.382 8.224 -25.905 760 HA THR 98 HA THR 98 7.179 10.693 -24.613 761 HB THR 98 HB THR 98 8.624 11.061 -26.491 762 HG1 THR 98 HG1 THR 98 7.391 10.492 -28.239 763 HG21 THR 98 3HG2 THR 98 10.026 9.144 -26.385 764 HG22 THR 98 1HG2 THR 98 8.666 8.084 -26.018 765 HG23 THR 98 2HG2 THR 98 9.218 9.256 -24.822 766 H LEU 99 H LEU 99 6.994 12.773 -25.765 767 HA LEU 99 HA LEU 99 4.387 13.515 -26.252 768 HB2 LEU 99 2HB LEU 99 6.666 14.863 -25.975 769 HB3 LEU 99 3HB LEU 99 6.508 14.972 -27.727 770 HG LEU 99 HG LEU 99 4.032 15.755 -26.930 771 HD11 LEU 99 1HD1 LEU 99 5.250 17.542 -25.126 772 HD12 LEU 99 2HD1 LEU 99 5.682 15.913 -24.606 773 HD13 LEU 99 3HD1 LEU 99 3.985 16.356 -24.799 774 HD21 LEU 99 3HD2 LEU 99 5.217 16.961 -28.565 775 HD22 LEU 99 1HD2 LEU 99 6.538 17.328 -27.455 776 HD23 LEU 99 2HD2 LEU 99 4.967 18.099 -27.240 777 H LYS 100 H LYS 100 3.056 13.615 -27.986 778 HA LYS 100 HA LYS 100 3.312 11.860 -30.100 779 HB2 LYS 100 2HB LYS 100 1.273 13.268 -29.230 780 HB3 LYS 100 3HB LYS 100 1.778 14.404 -30.474 781 HG2 LYS 100 2HG LYS 100 1.346 11.521 -31.137 782 HG3 LYS 100 3HG LYS 100 -0.015 12.640 -31.034 783 HD2 LYS 100 2HD LYS 100 1.485 14.118 -32.599 784 HD3 LYS 100 3HD LYS 100 2.252 12.573 -32.975 785 HE2 LYS 100 2HE LYS 100 0.207 11.656 -33.764 786 HE3 LYS 100 3HE LYS 100 -0.723 13.011 -33.124 787 HZ1 LYS 100 3HZ LYS 100 -0.304 13.044 -35.579 788 HZ2 LYS 100 1HZ LYS 100 1.330 13.325 -35.239 789 HZ3 LYS 100 2HZ LYS 100 0.160 14.447 -34.755 790 H GLU 101 H GLU 101 4.701 11.813 -31.729 791 HA GLU 101 HA GLU 101 5.395 14.317 -33.082 792 HB2 GLU 101 2HB GLU 101 7.191 13.685 -31.421 793 HB3 GLU 101 3HB GLU 101 7.469 12.239 -32.380 794 HG2 GLU 101 2HG GLU 101 7.967 13.686 -34.328 795 HG3 GLU 101 3HG GLU 101 7.817 15.090 -33.273 796 H ARG 102 H ARG 102 5.795 14.128 -35.271 797 HA ARG 102 HA ARG 102 4.549 12.007 -36.628 798 HB2 ARG 102 2HB ARG 102 5.271 13.063 -38.651 799 HB3 ARG 102 3HB ARG 102 4.866 14.333 -37.505 800 HG2 ARG 102 2HG ARG 102 7.274 14.568 -36.982 801 HG3 ARG 102 3HG ARG 102 7.624 13.382 -38.241 802 HD2 ARG 102 2HD ARG 102 7.892 15.331 -39.417 803 HD3 ARG 102 3HD ARG 102 6.187 15.002 -39.722 804 HE ARG 102 HE ARG 102 5.649 16.879 -38.530 805 HH11 ARG 102 1HH1 ARG 102 8.947 15.999 -37.844 806 HH12 ARG 102 2HH1 ARG 102 9.281 17.440 -36.941 807 HH21 ARG 102 1HH2 ARG 102 6.076 18.780 -37.344 808 HH22 ARG 102 2HH2 ARG 102 7.647 19.021 -36.657 809 H SER 103 H SER 103 5.275 10.136 -37.463 810 HA SER 103 HA SER 103 8.111 9.648 -37.802 811 HB2 SER 103 2HB SER 103 7.538 9.112 -35.377 812 HB3 SER 103 3HB SER 103 6.548 7.793 -36.002 813 HG SER 103 HG SER 103 8.928 7.465 -35.417 814 H LEU 104 H LEU 104 8.349 7.170 -38.433 815 HA LEU 104 HA LEU 104 6.211 6.606 -40.381 816 HB2 LEU 104 2HB LEU 104 9.169 6.056 -40.534 817 HB3 LEU 104 3HB LEU 104 7.989 5.446 -41.692 818 HG LEU 104 HG LEU 104 8.251 8.390 -41.209 819 HD11 LEU 104 1HD1 LEU 104 9.817 7.015 -43.352 820 HD12 LEU 104 2HD1 LEU 104 10.498 7.217 -41.738 821 HD13 LEU 104 3HD1 LEU 104 10.020 8.632 -42.677 822 HD21 LEU 104 3HD2 LEU 104 6.472 8.137 -42.589 823 HD22 LEU 104 1HD2 LEU 104 7.030 6.582 -43.208 824 HD23 LEU 104 2HD2 LEU 104 7.740 8.079 -43.814 825 H GLU 105 H GLU 105 5.078 4.828 -40.009 826 HA GLU 105 HA GLU 105 6.308 2.370 -39.209 827 HB2 GLU 105 2HB GLU 105 4.970 2.090 -37.128 828 HB3 GLU 105 3HB GLU 105 6.198 3.342 -37.011 829 HG2 GLU 105 2HG GLU 105 4.290 4.954 -37.656 830 HG3 GLU 105 3HG GLU 105 3.230 3.626 -37.187 831 H HIS 106 H HIS 106 4.547 0.660 -38.798 832 HA HIS 106 HA HIS 106 2.424 1.100 -40.781 833 HB2 HIS 106 2HB HIS 106 3.587 -1.485 -39.724 834 HB3 HIS 106 3HB HIS 106 2.321 -1.363 -40.942 835 HD1 HIS 106 HD1 HIS 106 3.401 0.649 -42.871 836 HD2 HIS 106 HD2 HIS 106 5.804 -2.225 -41.075 837 HE1 HIS 106 HE1 HIS 106 5.394 0.399 -44.384 838 H HIS 107 H HIS 107 0.604 1.753 -39.820 839 HA HIS 107 HA HIS 107 -0.731 0.021 -37.976 840 HB2 HIS 107 2HB HIS 107 -0.875 1.474 -36.083 841 HB3 HIS 107 3HB HIS 107 0.832 1.329 -36.491 842 HD1 HIS 107 HD1 HIS 107 0.836 3.448 -38.807 843 HD2 HIS 107 HD2 HIS 107 -0.795 4.008 -35.027 844 HE1 HIS 107 HE1 HIS 107 0.803 5.938 -38.451 845 H HIS 108 H HIS 108 -2.891 0.950 -37.329 846 HA HIS 108 HA HIS 108 -3.876 3.037 -39.114 847 HB2 HIS 108 2HB HIS 108 -4.113 0.677 -40.161 848 HB3 HIS 108 3HB HIS 108 -5.385 0.441 -38.967 849 HD1 HIS 108 HD1 HIS 108 -7.462 0.551 -40.333 850 HD2 HIS 108 HD2 HIS 108 -4.851 3.666 -41.194 851 HE1 HIS 108 HE1 HIS 108 -8.712 2.060 -41.909 852 H HIS 109 H HIS 109 -4.691 4.425 -37.681 853 HA HIS 109 HA HIS 109 -6.597 3.391 -35.694 854 HB2 HIS 109 2HB HIS 109 -4.423 3.971 -34.619 855 HB3 HIS 109 3HB HIS 109 -4.619 5.624 -35.194 856 HD1 HIS 109 HD1 HIS 109 -6.447 3.141 -32.972 857 HD2 HIS 109 HD2 HIS 109 -5.947 7.236 -33.463 858 HE1 HIS 109 HE1 HIS 109 -7.652 4.202 -31.036 859 H HIS 110 H HIS 110 -8.433 4.581 -35.392 860 HA HIS 110 HA HIS 110 -8.690 7.254 -36.432 861 HB2 HIS 110 2HB HIS 110 -8.985 5.836 -38.461 862 HB3 HIS 110 3HB HIS 110 -10.354 5.055 -37.675 863 HD1 HIS 110 HD1 HIS 110 -12.134 5.876 -39.280 864 HD2 HIS 110 HD2 HIS 110 -9.883 8.953 -37.627 865 HE1 HIS 110 HE1 HIS 110 -13.322 7.998 -39.921 866 H HIS 111 H HIS 111 -10.363 8.361 -35.505 867 HA HIS 111 HA HIS 111 -11.773 6.967 -33.364 868 HB2 HIS 111 2HB HIS 111 -12.233 9.133 -32.446 869 HB3 HIS 111 3HB HIS 111 -10.543 9.117 -32.940 870 HD1 HIS 111 HD1 HIS 111 -13.563 11.064 -33.241 871 HD2 HIS 111 HD2 HIS 111 -10.180 10.442 -35.570 872 HE1 HIS 111 HE1 HIS 111 -13.508 12.978 -34.871
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