NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
613217 | 5u87 | 30209 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 GLY 1 H GLY 1 2.926 -19.175 -0.970 2 H2 GLY 1 HT1 GLY 1 3.126 -20.392 -0.552 3 H3 GLY 1 HT2 GLY 1 1.834 -20.432 -1.645 4 HA2 GLY 1 HA1 GLY 1 4.660 -19.950 -2.351 5 HA3 GLY 1 HA2 GLY 1 3.791 -21.460 -2.602 6 H ARG 2 H ARG 2 4.703 -20.738 -4.834 7 HA ARG 2 HA ARG 2 3.164 -18.740 -6.266 8 HB2 ARG 2 HB2 ARG 2 5.042 -20.897 -7.214 9 HB3 ARG 2 HB1 ARG 2 4.299 -19.698 -8.260 10 HG2 ARG 2 HG2 ARG 2 5.462 -17.945 -7.157 11 HG3 ARG 2 HG1 ARG 2 6.076 -19.067 -5.948 12 HD2 ARG 2 HD2 ARG 2 6.665 -19.196 -8.900 13 HD3 ARG 2 HD1 ARG 2 7.737 -18.496 -7.695 14 HE ARG 2 HE ARG 2 7.876 -20.721 -6.686 15 HH11 ARG 2 HH11 ARG 2 6.776 -20.546 -10.055 16 HH12 ARG 2 HH12 ARG 2 7.409 -22.047 -10.482 17 HH21 ARG 2 HH21 ARG 2 8.730 -22.807 -7.276 18 HH22 ARG 2 HH22 ARG 2 8.549 -23.362 -8.874 19 H CYS 3 H CYS 3 1.513 -19.025 -7.633 20 HA CYS 3 HA CYS 3 0.579 -21.747 -7.979 21 HB2 CYS 3 HB2 CYS 3 -1.209 -19.414 -7.276 22 HB3 CYS 3 HB1 CYS 3 -1.711 -21.045 -7.640 23 H THR 4 H THR 4 -0.419 -22.083 -9.896 24 HA THR 4 HA THR 4 0.335 -20.252 -11.959 25 HB THR 4 HB THR 4 -0.529 -22.052 -13.453 26 HG1 THR 4 HG1 THR 4 -1.397 -23.808 -12.624 27 HG21 THR 4 HG21 THR 4 1.813 -22.078 -12.708 28 HG22 THR 4 HG22 THR 4 1.178 -23.720 -12.836 29 HG23 THR 4 HG23 THR 4 1.338 -22.957 -11.256 30 H LYS 5 H LYS 5 -1.159 -19.445 -13.557 31 HA LYS 5 HA LYS 5 -3.702 -18.685 -12.420 32 HB2 LYS 5 HB2 LYS 5 -2.531 -18.016 -15.107 33 HB3 LYS 5 HB1 LYS 5 -3.942 -17.272 -14.386 34 HG2 LYS 5 HG2 LYS 5 -1.082 -17.014 -13.457 35 HG3 LYS 5 HG1 LYS 5 -2.058 -15.767 -14.232 36 HD2 LYS 5 HD2 LYS 5 -3.627 -15.962 -12.261 37 HD3 LYS 5 HD1 LYS 5 -2.399 -16.969 -11.498 38 HE2 LYS 5 HE2 LYS 5 -2.086 -14.093 -12.368 39 HE3 LYS 5 HE1 LYS 5 -2.176 -14.692 -10.723 40 HZ1 LYS 5 HZ1 LYS 5 0.086 -14.197 -11.423 41 HZ2 LYS 5 HZ2 LYS 5 0.008 -15.338 -12.638 42 HZ3 LYS 5 HZ3 LYS 5 -0.061 -15.824 -11.034 43 H SER 6 H SER 6 -4.307 -21.088 -12.498 44 HA SER 6 HA SER 6 -6.062 -21.455 -14.711 45 HB2 SER 6 HB2 SER 6 -3.794 -23.371 -14.157 46 HB3 SER 6 HB1 SER 6 -5.191 -23.772 -15.174 47 HG SER 6 HG SER 6 -4.052 -21.431 -15.853 48 H ILE 7 H ILE 7 -7.387 -23.444 -14.252 49 HA ILE 7 HA ILE 7 -7.436 -24.125 -11.403 50 HB ILE 7 HB ILE 7 -9.809 -23.586 -13.218 51 HG12 ILE 7 HG12 ILE 7 -8.880 -22.161 -10.723 52 HG13 ILE 7 HG11 ILE 7 -8.657 -21.577 -12.366 53 HG21 ILE 7 HG21 ILE 7 -11.202 -24.046 -11.244 54 HG22 ILE 7 HG22 ILE 7 -9.759 -24.491 -10.335 55 HG23 ILE 7 HG23 ILE 7 -10.263 -25.465 -11.716 56 HD11 ILE 7 HD11 ILE 7 -11.045 -21.404 -12.642 57 HD12 ILE 7 HD12 ILE 7 -10.482 -20.486 -11.240 58 HD13 ILE 7 HD13 ILE 7 -11.291 -22.040 -11.011 59 HA PRO 8 HA PRO 8 -7.743 -25.696 -10.087 60 HB2 PRO 8 HB2 PRO 8 -5.897 -27.950 -9.909 61 HB3 PRO 8 HB1 PRO 8 -7.411 -27.653 -9.051 62 HG2 PRO 8 HG2 PRO 8 -7.224 -29.587 -10.935 63 HG3 PRO 8 HG1 PRO 8 -8.708 -28.653 -10.683 64 HD2 PRO 8 HD2 PRO 8 -6.569 -28.276 -12.753 65 HD3 PRO 8 HD1 PRO 8 -8.338 -28.268 -12.951 66 HA PRO 9 HA PRO 9 -3.902 -23.548 -10.574 67 HB2 PRO 9 HB2 PRO 9 -3.587 -22.671 -8.021 68 HB3 PRO 9 HB1 PRO 9 -4.732 -21.942 -9.150 69 HG2 PRO 9 HG2 PRO 9 -5.221 -23.861 -6.928 70 HG3 PRO 9 HG1 PRO 9 -6.209 -22.497 -7.500 71 HD2 PRO 9 HD2 PRO 9 -6.713 -25.136 -8.099 72 HD3 PRO 9 HD1 PRO 9 -7.245 -23.763 -9.095 73 H ILE 10 H ILE 10 -1.806 -23.986 -10.326 74 HA ILE 10 HA ILE 10 -1.161 -26.361 -8.760 75 HB ILE 10 HB ILE 10 0.386 -24.961 -10.965 76 HG12 ILE 10 HG12 ILE 10 -1.688 -25.863 -11.814 77 HG13 ILE 10 HG11 ILE 10 -0.333 -26.793 -12.439 78 HG21 ILE 10 HG21 ILE 10 1.843 -26.227 -9.473 79 HG22 ILE 10 HG22 ILE 10 1.756 -26.975 -11.068 80 HG23 ILE 10 HG23 ILE 10 0.851 -27.667 -9.723 81 HD11 ILE 10 HD11 ILE 10 -2.181 -28.265 -11.837 82 HD12 ILE 10 HD12 ILE 10 -2.193 -27.617 -10.201 83 HD13 ILE 10 HD13 ILE 10 -0.809 -28.554 -10.768 84 H CYS 11 H CYS 11 -0.541 -25.750 -6.784 85 HA CYS 11 HA CYS 11 1.042 -23.330 -6.579 86 HB2 CYS 11 HB2 CYS 11 -0.518 -24.762 -4.423 87 HB3 CYS 11 HB1 CYS 11 0.466 -23.321 -4.188 88 H PHE 12 H PHE 12 2.928 -23.274 -5.906 89 HA PHE 12 HA PHE 12 4.432 -25.722 -5.644 90 HB2 PHE 12 HB2 PHE 12 5.172 -22.845 -6.108 91 HB3 PHE 12 HB1 PHE 12 6.378 -24.098 -5.853 92 HD1 PHE 12 HD1 PHE 12 4.048 -22.621 -8.204 93 HD2 PHE 12 HD2 PHE 12 6.555 -25.961 -7.423 94 HE1 PHE 12 HE1 PHE 12 3.946 -23.247 -10.581 95 HE2 PHE 12 HE2 PHE 12 6.473 -26.599 -9.752 96 HZ PHE 12 HZ PHE 12 5.161 -25.240 -11.375 97 HA PRO 13 HA PRO 13 5.117 -25.439 -1.317 98 HB2 PRO 13 HB2 PRO 13 7.562 -26.534 -1.035 99 HB3 PRO 13 HB1 PRO 13 6.159 -27.480 -1.546 100 HG2 PRO 13 HG2 PRO 13 8.381 -26.331 -3.184 101 HG3 PRO 13 HG1 PRO 13 7.603 -27.917 -3.312 102 HD2 PRO 13 HD2 PRO 13 7.023 -25.806 -4.941 103 HD3 PRO 13 HD1 PRO 13 5.875 -27.089 -4.586 104 H ASP 14 H ASP 14 6.966 -23.519 -3.357 105 HA ASP 14 HA ASP 14 7.815 -21.844 -1.161 106 HB2 ASP 14 HB2 ASP 14 9.771 -23.249 -1.642 107 HB3 ASP 14 HB1 ASP 14 9.614 -22.916 -3.356 108 H GLY 15 H GLY 15 8.258 -19.653 -2.057 109 HA2 GLY 15 HA2 GLY 15 7.495 -19.322 -4.789 110 HA3 GLY 15 HA1 GLY 15 6.348 -18.628 -3.640 111 H LEU 16 H LEU 16 9.523 -18.432 -5.092 112 HA LEU 16 HA LEU 16 10.263 -16.037 -3.733 113 HB2 LEU 16 HB2 LEU 16 12.077 -15.786 -5.256 114 HB3 LEU 16 HB1 LEU 16 11.907 -17.503 -5.010 115 HG LEU 16 HG LEU 16 10.904 -16.029 -7.459 116 HD11 LEU 16 HD11 LEU 16 13.312 -15.881 -7.299 117 HD12 LEU 16 HD12 LEU 16 12.843 -16.985 -8.594 118 HD13 LEU 16 HD13 LEU 16 13.420 -17.623 -7.054 119 HD21 LEU 16 HD21 LEU 16 10.749 -18.245 -8.458 120 HD22 LEU 16 HD22 LEU 16 9.765 -18.152 -6.990 121 HD23 LEU 16 HD23 LEU 16 11.327 -18.970 -6.956 122 H ASP 17 H ASP 17 8.323 -16.822 -6.376 123 HA ASP 17 HA ASP 17 7.831 -14.040 -7.113 124 HB2 ASP 17 HB2 ASP 17 8.227 -15.645 -8.955 125 HB3 ASP 17 HB1 ASP 17 6.919 -16.654 -8.364 126 H ASN 18 H ASN 18 6.432 -13.173 -5.693 127 HA ASN 18 HA ASN 18 3.888 -14.508 -5.304 128 HB2 ASN 18 HB2 ASN 18 3.919 -13.978 -2.865 129 HB3 ASN 18 HB1 ASN 18 5.079 -15.210 -3.361 130 HD21 ASN 18 HD21 ASN 18 7.264 -14.785 -3.154 131 HD22 ASN 18 HD22 ASN 18 7.877 -13.428 -2.281 132 HA PRO 19 HA PRO 19 3.843 -9.870 -6.184 133 HB2 PRO 19 HB2 PRO 19 2.462 -9.858 -8.452 134 HB3 PRO 19 HB1 PRO 19 4.176 -10.301 -8.434 135 HG2 PRO 19 HG2 PRO 19 1.772 -12.093 -8.420 136 HG3 PRO 19 HG1 PRO 19 3.193 -12.170 -9.478 137 HD2 PRO 19 HD2 PRO 19 2.944 -13.732 -7.299 138 HD3 PRO 19 HD1 PRO 19 4.519 -13.107 -7.829 139 H ARG 20 H ARG 20 1.744 -11.974 -5.135 140 HA ARG 20 HA ARG 20 -0.651 -10.234 -5.402 141 HB2 ARG 20 HB2 ARG 20 -0.903 -12.858 -4.003 142 HB3 ARG 20 HB1 ARG 20 -2.084 -11.999 -4.954 143 HG2 ARG 20 HG2 ARG 20 -1.681 -13.835 -6.268 144 HG3 ARG 20 HG1 ARG 20 -0.541 -12.676 -6.952 145 HD2 ARG 20 HD2 ARG 20 0.543 -14.873 -6.577 146 HD3 ARG 20 HD1 ARG 20 1.242 -13.585 -5.584 147 HE ARG 20 HE ARG 20 -0.405 -14.516 -3.827 148 HH11 ARG 20 HH11 ARG 20 1.437 -16.564 -6.098 149 HH12 ARG 20 HH12 ARG 20 1.576 -17.804 -4.934 150 HH21 ARG 20 HH21 ARG 20 -0.179 -16.181 -2.387 151 HH22 ARG 20 HH22 ARG 20 0.654 -17.614 -2.773 152 H GLY 21 H GLY 21 1.625 -11.661 -3.214 153 HA2 GLY 21 HA2 GLY 21 0.499 -10.051 -1.106 154 HA3 GLY 21 HA1 GLY 21 0.834 -11.752 -0.780 155 H CYS 22 H CYS 22 2.521 -9.369 -2.647 156 HA CYS 22 HA CYS 22 5.072 -9.940 -1.757 157 HB2 CYS 22 HB2 CYS 22 3.820 -7.489 -2.916 158 HB3 CYS 22 HB1 CYS 22 5.496 -7.501 -2.401 159 H GLN 23 H GLN 23 5.973 -9.695 0.142 160 HA GLN 23 HA GLN 23 4.741 -7.797 1.954 161 HB2 GLN 23 HB2 GLN 23 5.816 -9.020 3.804 162 HB3 GLN 23 HB1 GLN 23 4.743 -10.035 2.866 163 HG2 GLN 23 HG2 GLN 23 6.732 -10.918 1.686 164 HG3 GLN 23 HG1 GLN 23 7.745 -10.012 2.807 165 HE21 GLN 23 HE21 GLN 23 7.806 -10.647 5.007 166 HE22 GLN 23 HE22 GLN 23 7.217 -12.202 5.492 167 H ILE 24 H ILE 24 5.604 -6.007 2.062 168 HA ILE 24 HA ILE 24 8.518 -5.783 1.902 169 HB ILE 24 HB ILE 24 6.618 -3.518 1.181 170 HG12 ILE 24 HG12 ILE 24 7.436 -4.041 -1.262 171 HG13 ILE 24 HG11 ILE 24 7.688 -5.662 -0.635 172 HG21 ILE 24 HG21 ILE 24 9.505 -4.029 0.555 173 HG22 ILE 24 HG22 ILE 24 8.897 -2.887 1.762 174 HG23 ILE 24 HG23 ILE 24 8.574 -2.634 0.035 175 HD11 ILE 24 HD11 ILE 24 5.330 -5.807 -0.056 176 HD12 ILE 24 HD12 ILE 24 5.559 -5.457 -1.769 177 HD13 ILE 24 HD13 ILE 24 5.078 -4.172 -0.665 178 H ARG 25 H ARG 25 9.392 -4.776 3.647 179 HA ARG 25 HA ARG 25 7.676 -4.483 5.887 180 HB2 ARG 25 HB2 ARG 25 9.728 -4.047 7.130 181 HB3 ARG 25 HB1 ARG 25 9.901 -5.471 6.112 182 HG2 ARG 25 HG2 ARG 25 11.068 -3.911 4.457 183 HG3 ARG 25 HG1 ARG 25 11.088 -2.751 5.776 184 HD2 ARG 25 HD2 ARG 25 12.304 -4.320 7.176 185 HD3 ARG 25 HD1 ARG 25 12.278 -5.508 5.871 186 HE ARG 25 HE ARG 25 13.736 -2.983 5.904 187 HH11 ARG 25 HH11 ARG 25 13.192 -6.157 4.410 188 HH12 ARG 25 HH12 ARG 25 14.608 -6.117 3.468 189 HH21 ARG 25 HH21 ARG 25 15.658 -2.925 4.589 190 HH22 ARG 25 HH22 ARG 25 16.035 -4.221 3.563 191 H ILE 26 H ILE 26 6.717 -2.722 6.573 192 HA ILE 26 HA ILE 26 6.851 -0.441 4.935 193 HB ILE 26 HB ILE 26 5.239 0.640 6.505 194 HG12 ILE 26 HG12 ILE 26 4.043 -0.992 8.099 195 HG13 ILE 26 HG11 ILE 26 5.455 -2.018 7.951 196 HG21 ILE 26 HG21 ILE 26 4.584 -2.061 5.427 197 HG22 ILE 26 HG22 ILE 26 4.551 -0.523 4.555 198 HG23 ILE 26 HG23 ILE 26 3.399 -0.824 5.866 199 HD11 ILE 26 HD11 ILE 26 5.506 -0.734 10.006 200 HD12 ILE 26 HD12 ILE 26 5.397 0.770 9.092 201 HD13 ILE 26 HD13 ILE 26 6.830 -0.249 8.945 202 H GLN 27 H GLN 27 8.702 -1.278 7.487 203 HA GLN 27 HA GLN 27 9.158 1.378 8.380 204 HB2 GLN 27 HB2 GLN 27 10.942 0.438 9.794 205 HB3 GLN 27 HB1 GLN 27 9.391 -0.385 9.940 206 HG2 GLN 27 HG2 GLN 27 11.336 -1.504 8.063 207 HG3 GLN 27 HG1 GLN 27 11.695 -1.719 9.788 208 HE21 GLN 27 HE21 GLN 27 11.388 -3.943 9.730 209 HE22 GLN 27 HE22 GLN 27 9.833 -4.652 9.473 210 H GLN 28 H GLN 28 10.294 -0.493 5.779 211 HA GLN 28 HA GLN 28 12.701 1.073 5.484 212 HB2 GLN 28 HB2 GLN 28 13.246 -0.333 3.663 213 HB3 GLN 28 HB1 GLN 28 12.258 -1.378 4.675 214 HG2 GLN 28 HG2 GLN 28 10.390 -1.136 3.303 215 HG3 GLN 28 HG1 GLN 28 11.137 0.164 2.371 216 HE21 GLN 28 HE21 GLN 28 11.011 -0.792 0.449 217 HE22 GLN 28 HE22 GLN 28 11.882 -2.228 0.029 218 H LEU 29 H LEU 29 9.394 1.254 4.740 219 HA LEU 29 HA LEU 29 9.747 3.209 2.611 220 HB2 LEU 29 HB2 LEU 29 7.260 1.985 3.755 221 HB3 LEU 29 HB1 LEU 29 7.224 3.329 2.643 222 HG LEU 29 HG LEU 29 6.817 1.592 1.279 223 HD11 LEU 29 HD11 LEU 29 8.770 1.164 -0.109 224 HD12 LEU 29 HD12 LEU 29 9.804 1.749 1.201 225 HD13 LEU 29 HD13 LEU 29 8.665 2.849 0.430 226 HD21 LEU 29 HD21 LEU 29 7.948 -0.626 1.403 227 HD22 LEU 29 HD22 LEU 29 6.999 -0.187 2.826 228 HD23 LEU 29 HD23 LEU 29 8.756 -0.045 2.871 229 H ASN 30 H ASN 30 9.982 3.333 5.766 230 HA ASN 30 HA ASN 30 8.270 5.416 6.558 231 HB2 ASN 30 HB2 ASN 30 9.668 4.097 8.172 232 HB3 ASN 30 HB1 ASN 30 11.090 4.947 7.583 233 HD21 ASN 30 HD21 ASN 30 11.414 7.125 8.188 234 HD22 ASN 30 HD22 ASN 30 10.470 7.883 9.416 235 H HIS 31 H HIS 31 11.314 5.404 4.841 236 HA HIS 31 HA HIS 31 11.694 8.202 5.026 237 HB2 HIS 31 HB2 HIS 31 13.467 6.421 4.381 238 HB3 HIS 31 HB1 HIS 31 12.818 6.589 2.751 239 HD1 HIS 31 HD1 HIS 31 15.525 7.836 4.609 240 HD2 HIS 31 HD2 HIS 31 12.667 9.659 2.206 241 HE1 HIS 31 HE1 HIS 31 16.454 10.061 3.996 242 H CYS 32 H CYS 32 10.409 6.123 2.402 243 HA CYS 32 HA CYS 32 9.728 8.212 0.643 244 HB2 CYS 32 HB2 CYS 32 9.188 5.362 0.836 245 HB3 CYS 32 HB1 CYS 32 7.761 6.222 0.266 246 H GLN 33 H GLN 33 7.754 6.599 3.094 247 HA GLN 33 HA GLN 33 5.445 8.011 2.871 248 HB2 GLN 33 HB2 GLN 33 5.447 6.190 4.280 249 HB3 GLN 33 HB1 GLN 33 6.899 6.689 5.114 250 HG2 GLN 33 HG2 GLN 33 5.660 8.579 6.059 251 HG3 GLN 33 HG1 GLN 33 4.179 7.927 5.338 252 HE21 GLN 33 HE21 GLN 33 3.211 6.240 6.294 253 HE22 GLN 33 HE22 GLN 33 3.708 5.542 7.791 254 H MET 34 H MET 34 8.293 8.871 4.893 255 HA MET 34 HA MET 34 7.037 11.247 5.818 256 HB2 MET 34 HB2 MET 34 9.121 11.838 6.863 257 HB3 MET 34 HB1 MET 34 8.795 10.121 7.140 258 HG2 MET 34 HG2 MET 34 10.389 9.608 5.334 259 HG3 MET 34 HG1 MET 34 10.753 11.320 5.196 260 HE1 MET 34 HE1 MET 34 12.461 12.086 8.643 261 HE2 MET 34 HE2 MET 34 10.754 12.270 8.252 262 HE3 MET 34 HE3 MET 34 11.984 12.738 7.076 263 H HIS 35 H HIS 35 9.269 10.545 3.254 264 HA HIS 35 HA HIS 35 9.781 13.295 2.791 265 HB2 HIS 35 HB2 HIS 35 11.252 12.705 1.022 266 HB3 HIS 35 HB1 HIS 35 11.295 11.355 2.135 267 HD1 HIS 35 HD1 HIS 35 9.255 12.132 -1.043 268 HD2 HIS 35 HD2 HIS 35 11.595 9.161 0.660 269 HE1 HIS 35 HE1 HIS 35 9.447 10.299 -2.759 270 H LEU 36 H LEU 36 7.341 11.215 1.727 271 HA LEU 36 HA LEU 36 6.387 13.152 -0.195 272 HB2 LEU 36 HB2 LEU 36 5.066 10.650 0.805 273 HB3 LEU 36 HB1 LEU 36 4.474 11.715 -0.469 274 HG LEU 36 HG LEU 36 7.069 10.181 -0.578 275 HD11 LEU 36 HD11 LEU 36 5.170 8.680 -0.598 276 HD12 LEU 36 HD12 LEU 36 5.954 8.741 -2.177 277 HD13 LEU 36 HD13 LEU 36 4.437 9.607 -1.907 278 HD21 LEU 36 HD21 LEU 36 7.025 10.787 -2.962 279 HD22 LEU 36 HD22 LEU 36 7.123 12.197 -1.909 280 HD23 LEU 36 HD23 LEU 36 5.588 11.773 -2.669 281 H THR 37 H THR 37 5.522 12.146 3.102 282 HA THR 37 HA THR 37 3.154 13.784 2.918 283 HB THR 37 HB THR 37 2.805 13.200 5.295 284 HG1 THR 37 HG1 THR 37 4.989 11.399 4.922 285 HG21 THR 37 HG21 THR 37 3.321 10.894 3.432 286 HG22 THR 37 HG22 THR 37 1.810 11.806 3.566 287 HG23 THR 37 HG23 THR 37 2.364 10.800 4.906 288 H SER 38 H SER 38 6.344 14.198 3.904 289 HA SER 38 HA SER 38 5.685 16.523 5.502 290 HB2 SER 38 HB2 SER 38 7.322 14.953 6.423 291 HB3 SER 38 HB1 SER 38 8.368 15.240 5.032 292 HG SER 38 HG SER 38 9.088 16.479 6.625 293 H PHE 39 H PHE 39 5.578 18.426 4.605 294 HA PHE 39 HA PHE 39 7.090 18.913 2.188 295 HB2 PHE 39 HB2 PHE 39 5.151 20.669 3.715 296 HB3 PHE 39 HB1 PHE 39 6.080 21.247 2.334 297 HD1 PHE 39 HD1 PHE 39 3.154 19.498 3.389 298 HD2 PHE 39 HD2 PHE 39 5.836 20.048 0.140 299 HE1 PHE 39 HE1 PHE 39 1.487 18.565 1.852 300 HE2 PHE 39 HE2 PHE 39 4.169 19.123 -1.406 301 HZ PHE 39 HZ PHE 39 1.994 18.381 -0.549 302 H ASP 40 H ASP 40 9.059 18.853 2.670 303 HA ASP 40 HA ASP 40 10.125 19.559 5.161 304 HB2 ASP 40 HB2 ASP 40 10.978 17.839 3.427 305 HB3 ASP 40 HB1 ASP 40 11.835 19.204 2.724 306 H TYR 41 H TYR 41 12.262 20.894 5.120 307 HA TYR 41 HA TYR 41 11.119 23.554 4.978 308 HB2 TYR 41 HB2 TYR 41 12.863 24.072 6.685 309 HB3 TYR 41 HB1 TYR 41 11.715 22.731 6.946 310 HD1 TYR 41 HD1 TYR 41 12.393 20.729 7.736 311 HD2 TYR 41 HD2 TYR 41 15.250 23.206 5.796 312 HE1 TYR 41 HE1 TYR 41 14.143 19.090 8.226 313 HE2 TYR 41 HE2 TYR 41 17.003 21.565 6.281 314 HH TYR 41 HH TYR 41 16.283 18.449 7.296 315 H LYS 42 H LYS 42 13.827 21.788 3.745 316 HA LYS 42 HA LYS 42 15.151 24.192 2.929 317 HB2 LYS 42 HB2 LYS 42 16.969 22.848 2.249 318 HB3 LYS 42 HB1 LYS 42 16.174 22.015 3.593 319 HG2 LYS 42 HG2 LYS 42 15.661 21.268 0.724 320 HG3 LYS 42 HG1 LYS 42 16.972 20.555 1.669 321 HD2 LYS 42 HD2 LYS 42 15.313 19.754 3.284 322 HD3 LYS 42 HD1 LYS 42 14.042 20.477 2.311 323 HE2 LYS 42 HE2 LYS 42 14.235 18.088 1.961 324 HE3 LYS 42 HE1 LYS 42 14.542 18.988 0.470 325 HZ1 LYS 42 HZ1 LYS 42 16.075 17.162 0.755 326 HZ2 LYS 42 HZ2 LYS 42 16.578 17.707 2.241 327 HZ3 LYS 42 HZ3 LYS 42 16.944 18.597 0.842 328 H LEU 43 H LEU 43 12.588 22.581 1.857 329 HA LEU 43 HA LEU 43 12.873 22.859 -0.975 330 HB2 LEU 43 HB2 LEU 43 10.421 22.461 0.721 331 HB3 LEU 43 HB1 LEU 43 10.530 22.211 -1.006 332 HG LEU 43 HG LEU 43 12.036 20.606 1.046 333 HD11 LEU 43 HD11 LEU 43 9.731 20.261 1.325 334 HD12 LEU 43 HD12 LEU 43 10.420 18.839 0.544 335 HD13 LEU 43 HD13 LEU 43 9.469 20.005 -0.404 336 HD21 LEU 43 HD21 LEU 43 13.121 20.648 -1.129 337 HD22 LEU 43 HD22 LEU 43 11.610 20.171 -1.911 338 HD23 LEU 43 HD23 LEU 43 12.426 19.060 -0.806 339 H ARG 44 H ARG 44 13.421 25.007 -1.105 340 HA ARG 44 HA ARG 44 11.481 27.021 -0.217 341 HB2 ARG 44 HB2 ARG 44 14.197 27.344 -1.517 342 HB3 ARG 44 HB1 ARG 44 13.198 28.654 -0.914 343 HG2 ARG 44 HG2 ARG 44 13.429 27.855 1.344 344 HG3 ARG 44 HG1 ARG 44 14.312 26.433 0.783 345 HD2 ARG 44 HD2 ARG 44 16.085 27.883 -0.064 346 HD3 ARG 44 HD1 ARG 44 15.190 29.298 0.496 347 HE ARG 44 HE ARG 44 15.425 27.776 2.704 348 HH11 ARG 44 HH11 ARG 44 17.839 28.986 0.406 349 HH12 ARG 44 HH12 ARG 44 19.056 29.180 1.574 350 HH21 ARG 44 HH21 ARG 44 17.108 28.031 4.300 351 HH22 ARG 44 HH22 ARG 44 18.633 28.623 3.833 352 H MET 45 H MET 45 13.254 26.032 -3.058 353 HA MET 45 HA MET 45 10.963 26.703 -4.720 354 HB2 MET 45 HB2 MET 45 13.893 27.114 -5.412 355 HB3 MET 45 HB1 MET 45 12.544 27.354 -6.507 356 HG2 MET 45 HG2 MET 45 12.995 28.916 -3.979 357 HG3 MET 45 HG1 MET 45 13.469 29.455 -5.585 358 HE1 MET 45 HE1 MET 45 11.633 31.104 -3.521 359 HE2 MET 45 HE2 MET 45 10.430 31.761 -4.630 360 HE3 MET 45 HE3 MET 45 12.128 31.720 -5.098 361 H ALA 46 H ALA 46 10.518 24.555 -4.270 362 HA ALA 46 HA ALA 46 12.408 22.527 -4.984 363 HB1 ALA 46 HB1 ALA 46 9.547 22.195 -4.140 364 HB2 ALA 46 HB2 ALA 46 10.947 22.215 -3.058 365 HB3 ALA 46 HB3 ALA 46 10.768 20.926 -4.255 366 H VAL 47 H VAL 47 12.637 23.177 -7.135 367 HA VAL 47 HA VAL 47 10.601 21.891 -8.817 368 HB VAL 47 HB VAL 47 12.406 24.179 -9.648 369 HG11 VAL 47 HG11 VAL 47 11.021 24.251 -11.694 370 HG12 VAL 47 HG12 VAL 47 10.148 22.825 -11.133 371 HG13 VAL 47 HG13 VAL 47 11.866 22.714 -11.514 372 HG21 VAL 47 HG21 VAL 47 9.444 24.213 -9.079 373 HG22 VAL 47 HG22 VAL 47 10.369 25.558 -9.746 374 HG23 VAL 47 HG23 VAL 47 10.702 24.982 -8.113 375 H GLU 48 H GLU 48 13.974 23.014 -9.217 376 HA GLU 48 HA GLU 48 14.738 20.275 -9.743 377 HB2 GLU 48 HB2 GLU 48 15.190 22.559 -11.643 378 HB3 GLU 48 HB1 GLU 48 16.179 21.107 -11.668 379 HG2 GLU 48 HG2 GLU 48 14.183 19.761 -12.094 380 HG3 GLU 48 HG1 GLU 48 13.198 21.221 -12.081 381 H ASN 49 H ASN 49 15.909 20.057 -7.997 382 HA ASN 49 HA ASN 49 18.489 21.341 -7.950 383 HB2 ASN 49 HB2 ASN 49 16.692 21.205 -5.487 384 HB3 ASN 49 HB1 ASN 49 18.388 21.658 -5.463 385 HD21 ASN 49 HD21 ASN 49 15.171 22.650 -5.925 386 HD22 ASN 49 HD22 ASN 49 15.447 24.307 -6.246 387 HA PRO 50 HA PRO 50 19.098 16.943 -7.939 388 HB2 PRO 50 HB2 PRO 50 21.703 16.928 -6.985 389 HB3 PRO 50 HB1 PRO 50 21.234 17.166 -8.668 390 HG2 PRO 50 HG2 PRO 50 21.863 19.204 -6.572 391 HG3 PRO 50 HG1 PRO 50 22.377 19.161 -8.272 392 HD2 PRO 50 HD2 PRO 50 20.407 20.763 -7.542 393 HD3 PRO 50 HD1 PRO 50 20.261 19.827 -9.043 394 H LYS 51 H LYS 51 20.016 18.709 -5.023 395 HA LYS 51 HA LYS 51 20.267 16.406 -3.388 396 HB2 LYS 51 HB2 LYS 51 19.891 19.256 -2.665 397 HB3 LYS 51 HB1 LYS 51 20.231 17.981 -1.495 398 HG2 LYS 51 HG2 LYS 51 22.309 17.474 -2.661 399 HG3 LYS 51 HG1 LYS 51 21.967 18.770 -3.809 400 HD2 LYS 51 HD2 LYS 51 22.345 19.051 -0.856 401 HD3 LYS 51 HD1 LYS 51 23.512 19.481 -2.136 402 HE2 LYS 51 HE2 LYS 51 21.827 21.032 -3.033 403 HE3 LYS 51 HE1 LYS 51 20.805 20.656 -1.653 404 HZ1 LYS 51 HZ1 LYS 51 22.045 22.725 -1.319 405 HZ2 LYS 51 HZ2 LYS 51 23.511 21.905 -1.483 406 HZ3 LYS 51 HZ3 LYS 51 22.492 21.570 -0.190 407 H GLN 52 H GLN 52 17.573 18.059 -4.462 408 HA GLN 52 HA GLN 52 15.842 17.577 -2.281 409 HB2 GLN 52 HB2 GLN 52 15.143 17.792 -5.208 410 HB3 GLN 52 HB1 GLN 52 13.989 17.887 -3.889 411 HG2 GLN 52 HG2 GLN 52 14.948 19.920 -3.109 412 HG3 GLN 52 HG1 GLN 52 16.276 19.781 -4.257 413 HE21 GLN 52 HE21 GLN 52 14.464 18.864 -6.420 414 HE22 GLN 52 HE22 GLN 52 13.581 20.239 -6.927 415 H GLN 53 H GLN 53 16.792 15.794 -5.145 416 HA GLN 53 HA GLN 53 14.841 13.713 -4.873 417 HB2 GLN 53 HB2 GLN 53 17.192 14.056 -6.713 418 HB3 GLN 53 HB1 GLN 53 16.170 12.630 -6.727 419 HG2 GLN 53 HG2 GLN 53 14.240 14.013 -7.284 420 HG3 GLN 53 HG1 GLN 53 15.259 15.451 -7.246 421 HE21 GLN 53 HE21 GLN 53 14.776 15.894 -9.376 422 HE22 GLN 53 HE22 GLN 53 15.462 15.019 -10.698 423 H GLN 54 H GLN 54 17.425 14.260 -3.024 424 HA GLN 54 HA GLN 54 18.878 11.861 -2.978 425 HB2 GLN 54 HB2 GLN 54 19.538 12.425 -0.714 426 HB3 GLN 54 HB1 GLN 54 19.570 13.865 -1.722 427 HG2 GLN 54 HG2 GLN 54 17.488 14.619 -0.784 428 HG3 GLN 54 HG1 GLN 54 17.315 13.137 0.129 429 HE21 GLN 54 HE21 GLN 54 17.283 14.216 2.098 430 HE22 GLN 54 HE22 GLN 54 18.681 14.903 2.806 431 H HIS 55 H HIS 55 15.841 12.738 -1.550 432 HA HIS 55 HA HIS 55 15.584 10.511 0.142 433 HB2 HIS 55 HB2 HIS 55 13.151 11.174 0.271 434 HB3 HIS 55 HB1 HIS 55 14.287 12.442 0.679 435 HD1 HIS 55 HD1 HIS 55 12.251 14.137 0.199 436 HD2 HIS 55 HD2 HIS 55 13.686 12.061 -3.080 437 HE1 HIS 55 HE1 HIS 55 11.244 15.257 -1.815 438 H LEU 56 H LEU 56 15.079 10.931 -3.178 439 HA LEU 56 HA LEU 56 13.446 8.559 -3.495 440 HB2 LEU 56 HB2 LEU 56 13.045 10.536 -4.942 441 HB3 LEU 56 HB1 LEU 56 14.684 10.442 -5.532 442 HG LEU 56 HG LEU 56 12.847 9.636 -7.099 443 HD11 LEU 56 HD11 LEU 56 15.041 7.683 -6.466 444 HD12 LEU 56 HD12 LEU 56 15.163 9.074 -7.540 445 HD13 LEU 56 HD13 LEU 56 14.100 7.727 -7.955 446 HD21 LEU 56 HD21 LEU 56 12.834 7.288 -5.227 447 HD22 LEU 56 HD22 LEU 56 12.005 7.380 -6.781 448 HD23 LEU 56 HD23 LEU 56 11.519 8.440 -5.454 449 H SER 57 H SER 57 16.732 9.695 -4.123 450 HA SER 57 HA SER 57 17.795 7.394 -5.203 451 HB2 SER 57 HB2 SER 57 19.134 9.302 -3.272 452 HB3 SER 57 HB1 SER 57 19.944 8.236 -4.422 453 HG SER 57 HG SER 57 19.517 10.571 -4.948 454 H LEU 58 H LEU 58 16.996 8.175 -1.912 455 HA LEU 58 HA LEU 58 18.272 5.841 -0.817 456 HB2 LEU 58 HB2 LEU 58 16.316 7.745 0.437 457 HB3 LEU 58 HB1 LEU 58 17.329 6.587 1.282 458 HG LEU 58 HG LEU 58 18.337 8.909 -0.337 459 HD11 LEU 58 HD11 LEU 58 18.189 8.548 2.644 460 HD12 LEU 58 HD12 LEU 58 17.189 9.624 1.676 461 HD13 LEU 58 HD13 LEU 58 18.929 9.913 1.802 462 HD21 LEU 58 HD21 LEU 58 20.494 8.394 0.707 463 HD22 LEU 58 HD22 LEU 58 19.907 7.074 -0.304 464 HD23 LEU 58 HD23 LEU 58 19.777 6.968 1.455 465 H CYS 59 H CYS 59 14.897 6.881 -1.334 466 HA CYS 59 HA CYS 59 13.791 4.491 -0.317 467 HB2 CYS 59 HB2 CYS 59 12.533 6.594 -0.516 468 HB3 CYS 59 HB1 CYS 59 12.524 6.408 -2.267 469 H CYS 60 H CYS 60 14.336 5.490 -3.723 470 HA CYS 60 HA CYS 60 13.396 3.146 -4.917 471 HB2 CYS 60 HB2 CYS 60 13.736 5.167 -6.228 472 HB3 CYS 60 HB1 CYS 60 15.445 5.175 -5.859 473 H ASN 61 H ASN 61 16.402 3.877 -3.396 474 HA ASN 61 HA ASN 61 17.791 1.557 -4.414 475 HB2 ASN 61 HB2 ASN 61 18.927 3.525 -3.862 476 HB3 ASN 61 HB1 ASN 61 18.458 3.446 -2.170 477 HD21 ASN 61 HD21 ASN 61 20.632 2.285 -4.576 478 HD22 ASN 61 HD22 ASN 61 21.634 1.327 -3.553 479 H GLN 62 H GLN 62 15.779 2.255 -1.746 480 HA GLN 62 HA GLN 62 16.621 -0.065 -0.274 481 HB2 GLN 62 HB2 GLN 62 15.926 2.012 0.876 482 HB3 GLN 62 HB1 GLN 62 14.314 1.827 0.208 483 HG2 GLN 62 HG2 GLN 62 14.288 1.110 2.470 484 HG3 GLN 62 HG1 GLN 62 14.110 -0.311 1.440 485 HE21 GLN 62 HE21 GLN 62 15.791 -1.808 1.345 486 HE22 GLN 62 HE22 GLN 62 17.096 -1.811 2.461 487 H LEU 63 H LEU 63 13.866 0.976 -2.157 488 HA LEU 63 HA LEU 63 12.297 -1.325 -1.697 489 HB2 LEU 63 HB2 LEU 63 10.791 -0.416 -3.333 490 HB3 LEU 63 HB1 LEU 63 11.459 0.921 -2.429 491 HG LEU 63 HG LEU 63 13.121 1.104 -4.397 492 HD11 LEU 63 HD11 LEU 63 12.405 -0.904 -5.528 493 HD12 LEU 63 HD12 LEU 63 12.178 0.540 -6.521 494 HD13 LEU 63 HD13 LEU 63 10.788 -0.223 -5.728 495 HD21 LEU 63 HD21 LEU 63 10.265 1.949 -4.446 496 HD22 LEU 63 HD22 LEU 63 11.522 2.570 -5.528 497 HD23 LEU 63 HD23 LEU 63 11.647 2.834 -3.779 498 H GLN 64 H GLN 64 14.740 -0.507 -4.038 499 HA GLN 64 HA GLN 64 14.169 -2.580 -5.873 500 HB2 GLN 64 HB2 GLN 64 16.227 -1.966 -6.974 501 HB3 GLN 64 HB1 GLN 64 15.412 -0.519 -6.360 502 HG2 GLN 64 HG2 GLN 64 16.870 -0.278 -4.606 503 HG3 GLN 64 HG1 GLN 64 17.596 -1.867 -4.870 504 HE21 GLN 64 HE21 GLN 64 17.298 1.369 -6.124 505 HE22 GLN 64 HE22 GLN 64 18.723 1.322 -7.108 506 H GLU 65 H GLU 65 15.560 -2.739 -2.798 507 HA GLU 65 HA GLU 65 17.144 -5.036 -3.466 508 HB2 GLU 65 HB2 GLU 65 16.493 -3.921 -0.740 509 HB3 GLU 65 HB1 GLU 65 17.654 -5.201 -1.063 510 HG2 GLU 65 HG2 GLU 65 18.866 -3.537 -2.526 511 HG3 GLU 65 HG1 GLU 65 17.820 -2.306 -1.819 512 H VAL 66 H VAL 66 14.021 -4.314 -2.781 513 HA VAL 66 HA VAL 66 13.158 -6.921 -1.747 514 HB VAL 66 HB VAL 66 11.430 -4.731 -2.939 515 HG11 VAL 66 HG11 VAL 66 10.803 -6.788 -0.830 516 HG12 VAL 66 HG12 VAL 66 10.331 -6.868 -2.524 517 HG13 VAL 66 HG13 VAL 66 9.683 -5.591 -1.490 518 HG21 VAL 66 HG21 VAL 66 12.799 -3.671 -1.281 519 HG22 VAL 66 HG22 VAL 66 12.357 -4.896 -0.082 520 HG23 VAL 66 HG23 VAL 66 11.135 -3.786 -0.725 521 H GLU 67 H GLU 67 11.672 -8.177 -3.011 522 HA GLU 67 HA GLU 67 12.606 -9.087 -5.365 523 HB2 GLU 67 HB2 GLU 67 9.806 -9.090 -4.326 524 HB3 GLU 67 HB1 GLU 67 10.297 -10.032 -5.735 525 HG2 GLU 67 HG2 GLU 67 10.321 -11.532 -3.940 526 HG3 GLU 67 HG1 GLU 67 12.001 -11.052 -4.233 527 H LYS 68 H LYS 68 12.156 -8.858 -7.434 528 HA LYS 68 HA LYS 68 12.070 -6.284 -8.452 529 HB2 LYS 68 HB2 LYS 68 11.954 -7.380 -10.675 530 HB3 LYS 68 HB1 LYS 68 13.168 -8.073 -9.609 531 HG2 LYS 68 HG2 LYS 68 11.378 -9.838 -9.040 532 HG3 LYS 68 HG1 LYS 68 10.541 -9.215 -10.453 533 HD2 LYS 68 HD2 LYS 68 13.361 -10.259 -10.473 534 HD3 LYS 68 HD1 LYS 68 11.952 -11.217 -10.922 535 HE2 LYS 68 HE2 LYS 68 12.895 -8.691 -12.298 536 HE3 LYS 68 HE1 LYS 68 13.151 -10.336 -12.875 537 HZ1 LYS 68 HZ1 LYS 68 11.307 -9.347 -14.004 538 HZ2 LYS 68 HZ2 LYS 68 10.554 -8.956 -12.561 539 HZ3 LYS 68 HZ3 LYS 68 10.725 -10.580 -13.005 540 H GLN 69 H GLN 69 9.474 -8.540 -8.080 541 HA GLN 69 HA GLN 69 7.582 -6.927 -9.574 542 HB2 GLN 69 HB2 GLN 69 6.030 -8.732 -9.109 543 HB3 GLN 69 HB1 GLN 69 7.559 -9.384 -9.682 544 HG2 GLN 69 HG2 GLN 69 8.134 -9.620 -7.171 545 HG3 GLN 69 HG1 GLN 69 6.404 -9.447 -6.926 546 HE21 GLN 69 HE21 GLN 69 5.891 -10.838 -9.529 547 HE22 GLN 69 HE22 GLN 69 6.204 -12.498 -9.195 548 H CYS 70 H CYS 70 8.690 -7.275 -6.377 549 HA CYS 70 HA CYS 70 6.250 -6.276 -5.162 550 HB2 CYS 70 HB2 CYS 70 8.815 -7.220 -3.916 551 HB3 CYS 70 HB1 CYS 70 7.328 -6.861 -3.051 552 H GLN 71 H GLN 71 9.127 -5.171 -6.404 553 HA GLN 71 HA GLN 71 9.879 -3.000 -4.818 554 HB2 GLN 71 HB2 GLN 71 9.899 -3.428 -7.782 555 HB3 GLN 71 HB1 GLN 71 10.579 -1.998 -6.996 556 HG2 GLN 71 HG2 GLN 71 12.185 -3.345 -5.836 557 HG3 GLN 71 HG1 GLN 71 11.444 -4.823 -6.442 558 HE21 GLN 71 HE21 GLN 71 11.041 -3.939 -9.136 559 HE22 GLN 71 HE22 GLN 71 12.600 -3.814 -9.855 560 H CYS 72 H CYS 72 7.384 -3.183 -7.317 561 HA CYS 72 HA CYS 72 6.680 -0.436 -6.881 562 HB2 CYS 72 HB2 CYS 72 4.789 -0.976 -8.458 563 HB3 CYS 72 HB1 CYS 72 6.426 -1.156 -9.078 564 H GLU 73 H GLU 73 5.763 -3.474 -5.696 565 HA GLU 73 HA GLU 73 3.241 -2.795 -4.768 566 HB2 GLU 73 HB2 GLU 73 5.208 -4.862 -3.837 567 HB3 GLU 73 HB1 GLU 73 3.579 -4.802 -3.212 568 HG2 GLU 73 HG2 GLU 73 4.322 -5.188 -6.108 569 HG3 GLU 73 HG1 GLU 73 3.822 -6.463 -5.003 570 H ALA 74 H ALA 74 6.479 -2.496 -3.539 571 HA ALA 74 HA ALA 74 6.117 -1.821 -0.887 572 HB1 ALA 74 HB1 ALA 74 8.310 -0.775 -1.050 573 HB2 ALA 74 HB2 ALA 74 8.173 -0.740 -2.805 574 HB3 ALA 74 HB3 ALA 74 8.291 -2.285 -1.972 575 H ILE 75 H ILE 75 5.680 -0.022 -3.797 576 HA ILE 75 HA ILE 75 5.716 2.577 -2.654 577 HB ILE 75 HB ILE 75 4.372 1.792 -5.232 578 HG12 ILE 75 HG12 ILE 75 6.605 0.841 -5.311 579 HG13 ILE 75 HG11 ILE 75 6.522 2.237 -6.378 580 HG21 ILE 75 HG21 ILE 75 3.965 4.036 -4.444 581 HG22 ILE 75 HG22 ILE 75 4.973 4.064 -5.891 582 HG23 ILE 75 HG23 ILE 75 5.699 4.322 -4.304 583 HD11 ILE 75 HD11 ILE 75 7.657 3.549 -4.585 584 HD12 ILE 75 HD12 ILE 75 8.577 2.216 -5.285 585 HD13 ILE 75 HD13 ILE 75 7.843 2.019 -3.692 586 H LYS 76 H LYS 76 3.365 0.056 -3.008 587 HA LYS 76 HA LYS 76 1.054 1.809 -2.960 588 HB2 LYS 76 HB2 LYS 76 1.211 -1.162 -2.407 589 HB3 LYS 76 HB1 LYS 76 -0.247 -0.237 -2.724 590 HG2 LYS 76 HG2 LYS 76 1.996 -0.767 -4.649 591 HG3 LYS 76 HG1 LYS 76 0.413 -1.539 -4.661 592 HD2 LYS 76 HD2 LYS 76 0.950 1.412 -5.100 593 HD3 LYS 76 HD1 LYS 76 0.566 0.252 -6.360 594 HE2 LYS 76 HE2 LYS 76 -1.247 1.073 -4.077 595 HE3 LYS 76 HE1 LYS 76 -1.387 1.589 -5.750 596 HZ1 LYS 76 HZ1 LYS 76 -2.944 -0.164 -5.281 597 HZ2 LYS 76 HZ2 LYS 76 -1.753 -1.189 -4.734 598 HZ3 LYS 76 HZ3 LYS 76 -1.806 -0.751 -6.362 599 H GLN 77 H GLN 77 2.874 -0.200 -0.959 600 HA GLN 77 HA GLN 77 1.592 -0.152 1.507 601 HB2 GLN 77 HB2 GLN 77 4.539 -0.032 0.958 602 HB3 GLN 77 HB1 GLN 77 3.771 -0.633 2.415 603 HG2 GLN 77 HG2 GLN 77 3.033 -1.809 -0.161 604 HG3 GLN 77 HG1 GLN 77 4.553 -2.335 0.475 605 HE21 GLN 77 HE21 GLN 77 4.384 -3.394 2.694 606 HE22 GLN 77 HE22 GLN 77 2.901 -4.163 3.106 607 H VAL 78 H VAL 78 3.902 2.076 -0.001 608 HA VAL 78 HA VAL 78 4.257 3.804 2.149 609 HB VAL 78 HB VAL 78 4.205 4.738 -0.733 610 HG11 VAL 78 HG11 VAL 78 4.222 6.486 0.928 611 HG12 VAL 78 HG12 VAL 78 5.722 6.442 -0.003 612 HG13 VAL 78 HG13 VAL 78 5.676 5.784 1.641 613 HG21 VAL 78 HG21 VAL 78 6.532 3.636 0.798 614 HG22 VAL 78 HG22 VAL 78 6.564 4.263 -0.854 615 HG23 VAL 78 HG23 VAL 78 5.666 2.787 -0.475 616 H VAL 79 H VAL 79 1.913 3.829 -0.500 617 HA VAL 79 HA VAL 79 0.785 6.357 0.055 618 HB VAL 79 HB VAL 79 -0.619 4.011 -1.239 619 HG11 VAL 79 HG11 VAL 79 -1.100 6.978 -1.501 620 HG12 VAL 79 HG12 VAL 79 -2.084 5.850 -0.586 621 HG13 VAL 79 HG13 VAL 79 -1.990 5.705 -2.348 622 HG21 VAL 79 HG21 VAL 79 1.129 6.121 -2.516 623 HG22 VAL 79 HG22 VAL 79 0.147 4.943 -3.391 624 HG23 VAL 79 HG23 VAL 79 1.482 4.396 -2.377 625 H GLU 80 H GLU 80 -0.144 3.100 0.920 626 HA GLU 80 HA GLU 80 -2.555 3.767 2.186 627 HB2 GLU 80 HB2 GLU 80 -0.824 1.337 2.664 628 HB3 GLU 80 HB1 GLU 80 -2.518 1.498 3.111 629 HG2 GLU 80 HG2 GLU 80 -3.062 1.795 0.701 630 HG3 GLU 80 HG1 GLU 80 -1.375 1.462 0.326 631 H GLN 81 H GLN 81 0.705 3.390 3.491 632 HA GLN 81 HA GLN 81 -0.185 3.856 6.212 633 HB2 GLN 81 HB2 GLN 81 2.172 3.738 6.805 634 HB3 GLN 81 HB1 GLN 81 1.781 2.416 5.715 635 HG2 GLN 81 HG2 GLN 81 2.711 3.743 3.847 636 HG3 GLN 81 HG1 GLN 81 3.194 4.976 5.000 637 HE21 GLN 81 HE21 GLN 81 3.761 1.884 3.762 638 HE22 GLN 81 HE22 GLN 81 5.308 1.603 4.505 639 H ALA 82 H ALA 82 1.015 5.829 3.600 640 HA ALA 82 HA ALA 82 1.725 8.018 5.274 641 HB1 ALA 82 HB1 ALA 82 1.977 9.270 3.185 642 HB2 ALA 82 HB2 ALA 82 1.219 7.944 2.301 643 HB3 ALA 82 HB3 ALA 82 2.772 7.698 3.100 644 H GLN 83 H GLN 83 -1.102 7.175 3.362 645 HA GLN 83 HA GLN 83 -2.399 9.666 3.772 646 HB2 GLN 83 HB2 GLN 83 -4.408 8.614 2.848 647 HB3 GLN 83 HB1 GLN 83 -3.006 8.220 1.872 648 HG2 GLN 83 HG2 GLN 83 -2.910 6.007 2.919 649 HG3 GLN 83 HG1 GLN 83 -4.326 6.414 3.884 650 HE21 GLN 83 HE21 GLN 83 -5.511 4.729 3.003 651 HE22 GLN 83 HE22 GLN 83 -6.125 4.759 1.395 652 H LYS 84 H LYS 84 -2.334 6.637 5.472 653 HA LYS 84 HA LYS 84 -4.502 7.319 7.173 654 HB2 LYS 84 HB2 LYS 84 -3.989 5.287 8.449 655 HB3 LYS 84 HB1 LYS 84 -3.983 4.962 6.734 656 HG2 LYS 84 HG2 LYS 84 -2.177 3.712 7.484 657 HG3 LYS 84 HG1 LYS 84 -1.440 5.222 6.938 658 HD2 LYS 84 HD2 LYS 84 -1.171 6.022 9.051 659 HD3 LYS 84 HD1 LYS 84 -2.176 4.762 9.797 660 HE2 LYS 84 HE2 LYS 84 -0.483 3.092 9.106 661 HE3 LYS 84 HE1 LYS 84 0.495 4.389 8.423 662 HZ1 LYS 84 HZ1 LYS 84 1.185 3.662 10.675 663 HZ2 LYS 84 HZ2 LYS 84 -0.261 4.262 11.294 664 HZ3 LYS 84 HZ3 LYS 84 0.847 5.295 10.576 665 H GLN 85 H GLN 85 -1.051 7.767 7.348 666 HA GLN 85 HA GLN 85 -1.140 8.319 10.121 667 HB2 GLN 85 HB2 GLN 85 1.208 8.772 10.023 668 HB3 GLN 85 HB1 GLN 85 0.820 7.505 8.841 669 HG2 GLN 85 HG2 GLN 85 1.310 8.796 7.073 670 HG3 GLN 85 HG1 GLN 85 1.024 10.305 7.944 671 HE21 GLN 85 HE21 GLN 85 3.077 11.094 7.293 672 HE22 GLN 85 HE22 GLN 85 4.509 10.534 8.050 673 H LEU 86 H LEU 86 -1.340 10.260 7.254 674 HA LEU 86 HA LEU 86 -1.137 12.652 8.782 675 HB2 LEU 86 HB2 LEU 86 -1.295 11.998 5.955 676 HB3 LEU 86 HB1 LEU 86 -2.216 13.434 6.341 677 HG LEU 86 HG LEU 86 0.081 13.943 5.632 678 HD11 LEU 86 HD11 LEU 86 -1.146 15.441 7.092 679 HD12 LEU 86 HD12 LEU 86 0.584 15.482 7.459 680 HD13 LEU 86 HD13 LEU 86 -0.534 14.589 8.507 681 HD21 LEU 86 HD21 LEU 86 0.862 12.493 8.169 682 HD22 LEU 86 HD22 LEU 86 1.939 13.469 7.182 683 HD23 LEU 86 HD23 LEU 86 1.235 11.991 6.522 684 H GLN 87 H GLN 87 -3.727 10.722 7.555 685 HA GLN 87 HA GLN 87 -5.827 12.508 8.114 686 HB2 GLN 87 HB2 GLN 87 -6.009 10.566 6.632 687 HB3 GLN 87 HB1 GLN 87 -5.816 9.496 8.009 688 HG2 GLN 87 HG2 GLN 87 -7.919 10.359 8.950 689 HG3 GLN 87 HG1 GLN 87 -8.103 11.395 7.538 690 HE21 GLN 87 HE21 GLN 87 -7.045 9.403 5.713 691 HE22 GLN 87 HE22 GLN 87 -8.266 8.206 5.526 692 H GLN 88 H GLN 88 -4.220 9.997 10.025 693 HA GLN 88 HA GLN 88 -6.049 10.246 12.227 694 HB2 GLN 88 HB2 GLN 88 -4.603 8.718 13.434 695 HB3 GLN 88 HB1 GLN 88 -4.787 8.137 11.788 696 HG2 GLN 88 HG2 GLN 88 -2.598 9.131 11.242 697 HG3 GLN 88 HG1 GLN 88 -2.416 9.590 12.930 698 HE21 GLN 88 HE21 GLN 88 -2.102 7.982 14.465 699 HE22 GLN 88 HE22 GLN 88 -1.575 6.400 14.038 700 H GLY 89 H GLY 89 -3.376 11.961 11.152 701 HA2 GLY 89 HA2 GLY 89 -2.650 13.034 13.723 702 HA3 GLY 89 HA1 GLY 89 -2.012 13.532 12.157 703 H GLN 90 H GLN 90 -3.802 14.539 10.722 704 HA GLN 90 HA GLN 90 -5.668 16.194 12.175 705 HB2 GLN 90 HB2 GLN 90 -4.590 18.312 11.578 706 HB3 GLN 90 HB1 GLN 90 -3.636 17.271 12.654 707 HG2 GLN 90 HG2 GLN 90 -2.240 16.579 10.815 708 HG3 GLN 90 HG1 GLN 90 -3.182 17.557 9.699 709 HE21 GLN 90 HE21 GLN 90 -3.423 19.807 11.559 710 HE22 GLN 90 HE22 GLN 90 -1.875 20.548 11.604 711 H GLY 91 H GLY 91 -4.264 15.165 9.119 712 HA2 GLY 91 HA2 GLY 91 -6.247 15.125 7.445 713 HA3 GLY 91 HA1 GLY 91 -6.037 16.874 7.587 714 H GLY 92 H GLY 92 -4.716 17.747 6.042 715 HA2 GLY 92 HA2 GLY 92 -2.718 18.077 5.038 716 HA3 GLY 92 HA1 GLY 92 -2.094 16.607 5.740 717 H GLN 93 H GLN 93 -4.312 15.037 4.618 718 HA GLN 93 HA GLN 93 -3.098 14.002 2.392 719 HB2 GLN 93 HB2 GLN 93 -6.005 14.001 3.109 720 HB3 GLN 93 HB1 GLN 93 -5.349 13.077 1.764 721 HG2 GLN 93 HG2 GLN 93 -3.920 11.853 3.327 722 HG3 GLN 93 HG1 GLN 93 -4.613 12.777 4.663 723 HE21 GLN 93 HE21 GLN 93 -5.243 10.389 2.223 724 HE22 GLN 93 HE22 GLN 93 -6.693 9.768 2.931 725 H GLN 94 H GLN 94 -5.281 16.685 2.456 726 HA GLN 94 HA GLN 94 -5.676 16.822 -0.377 727 HB2 GLN 94 HB2 GLN 94 -6.631 19.048 0.083 728 HB3 GLN 94 HB1 GLN 94 -7.298 17.798 1.123 729 HG2 GLN 94 HG2 GLN 94 -5.746 18.506 2.897 730 HG3 GLN 94 HG1 GLN 94 -5.184 19.787 1.846 731 HE21 GLN 94 HE21 GLN 94 -6.517 21.520 1.438 732 HE22 GLN 94 HE22 GLN 94 -7.955 21.864 2.332 733 H GLN 95 H GLN 95 -3.385 18.308 1.851 734 HA GLN 95 HA GLN 95 -2.297 19.935 -0.265 735 HB2 GLN 95 HB2 GLN 95 -0.774 20.852 1.409 736 HB3 GLN 95 HB1 GLN 95 -2.462 20.904 1.991 737 HG2 GLN 95 HG2 GLN 95 -2.032 19.063 3.366 738 HG3 GLN 95 HG1 GLN 95 -0.368 18.939 2.801 739 HE21 GLN 95 HE21 GLN 95 1.108 20.586 3.350 740 HE22 GLN 95 HE22 GLN 95 0.831 21.627 4.690 741 H VAL 96 H VAL 96 -1.357 17.331 1.766 742 HA VAL 96 HA VAL 96 1.166 16.679 0.716 743 HB VAL 96 HB VAL 96 -0.895 14.875 2.058 744 HG11 VAL 96 HG11 VAL 96 1.006 13.442 2.634 745 HG12 VAL 96 HG12 VAL 96 1.996 14.369 1.474 746 HG13 VAL 96 HG13 VAL 96 0.603 13.452 0.919 747 HG21 VAL 96 HG21 VAL 96 0.443 15.208 4.071 748 HG22 VAL 96 HG22 VAL 96 -0.217 16.719 3.461 749 HG23 VAL 96 HG23 VAL 96 1.489 16.333 3.196 750 H GLN 97 H GLN 97 -1.983 16.203 -0.562 751 HA GLN 97 HA GLN 97 -1.851 13.986 -2.165 752 HB2 GLN 97 HB2 GLN 97 -3.834 15.352 -2.000 753 HB3 GLN 97 HB1 GLN 97 -3.034 16.652 -2.867 754 HG2 GLN 97 HG2 GLN 97 -2.887 15.274 -4.842 755 HG3 GLN 97 HG1 GLN 97 -3.657 13.938 -3.994 756 HE21 GLN 97 HE21 GLN 97 -4.471 15.352 -6.364 757 HE22 GLN 97 HE22 GLN 97 -6.045 15.981 -6.054 758 H GLN 98 H GLN 98 -0.579 17.192 -3.021 759 HA GLN 98 HA GLN 98 0.245 16.522 -5.620 760 HB2 GLN 98 HB2 GLN 98 1.629 18.560 -5.522 761 HB3 GLN 98 HB1 GLN 98 -0.018 18.837 -4.984 762 HG2 GLN 98 HG2 GLN 98 0.746 18.726 -2.665 763 HG3 GLN 98 HG1 GLN 98 2.399 18.495 -3.233 764 HE21 GLN 98 HE21 GLN 98 3.466 20.207 -4.180 765 HE22 GLN 98 HE22 GLN 98 2.924 21.838 -4.011 766 H MET 99 H MET 99 1.632 15.648 -2.626 767 HA MET 99 HA MET 99 4.251 15.175 -3.863 768 HB2 MET 99 HB2 MET 99 3.642 16.230 -1.423 769 HB3 MET 99 HB1 MET 99 3.748 14.561 -1.020 770 HG2 MET 99 HG2 MET 99 5.845 15.558 -0.620 771 HG3 MET 99 HG1 MET 99 5.957 14.354 -1.912 772 HE1 MET 99 HE1 MET 99 8.206 16.587 -1.226 773 HE2 MET 99 HE2 MET 99 8.678 17.056 -2.859 774 HE3 MET 99 HE3 MET 99 8.390 15.359 -2.479 775 H VAL 100 H VAL 100 1.745 13.596 -2.016 776 HA VAL 100 HA VAL 100 2.919 11.047 -2.196 777 HB VAL 100 HB VAL 100 1.188 11.468 -0.524 778 HG11 VAL 100 HG11 VAL 100 -1.174 11.588 -1.110 779 HG12 VAL 100 HG12 VAL 100 -0.727 11.619 -2.825 780 HG13 VAL 100 HG13 VAL 100 -0.217 12.926 -1.748 781 HG21 VAL 100 HG21 VAL 100 -0.150 9.418 -0.771 782 HG22 VAL 100 HG22 VAL 100 1.562 9.165 -1.159 783 HG23 VAL 100 HG23 VAL 100 0.376 9.323 -2.458 784 H LYS 101 H LYS 101 1.008 12.778 -4.529 785 HA LYS 101 HA LYS 101 0.346 10.598 -6.163 786 HB2 LYS 101 HB2 LYS 101 -0.129 12.202 -7.910 787 HB3 LYS 101 HB1 LYS 101 -0.640 12.837 -6.350 788 HG2 LYS 101 HG2 LYS 101 0.253 14.687 -7.404 789 HG3 LYS 101 HG1 LYS 101 1.558 14.116 -6.372 790 HD2 LYS 101 HD2 LYS 101 2.679 13.092 -8.253 791 HD3 LYS 101 HD1 LYS 101 1.321 13.451 -9.315 792 HE2 LYS 101 HE2 LYS 101 3.047 15.507 -7.943 793 HE3 LYS 101 HE1 LYS 101 3.219 14.997 -9.621 794 HZ1 LYS 101 HZ1 LYS 101 1.976 17.039 -9.442 795 HZ2 LYS 101 HZ2 LYS 101 0.833 16.335 -8.447 796 HZ3 LYS 101 HZ3 LYS 101 0.976 15.837 -10.052 797 H LYS 102 H LYS 102 3.350 12.172 -5.656 798 HA LYS 102 HA LYS 102 4.699 11.466 -8.030 799 HB2 LYS 102 HB2 LYS 102 5.686 11.925 -5.231 800 HB3 LYS 102 HB1 LYS 102 6.716 11.803 -6.651 801 HG2 LYS 102 HG2 LYS 102 5.913 13.816 -7.540 802 HG3 LYS 102 HG1 LYS 102 4.500 13.817 -6.488 803 HD2 LYS 102 HD2 LYS 102 6.102 15.470 -5.726 804 HD3 LYS 102 HD1 LYS 102 5.943 14.172 -4.552 805 HE2 LYS 102 HE2 LYS 102 8.211 14.730 -4.724 806 HE3 LYS 102 HE1 LYS 102 8.001 13.154 -5.465 807 HZ1 LYS 102 HZ1 LYS 102 8.042 14.224 -7.655 808 HZ2 LYS 102 HZ2 LYS 102 9.449 14.577 -6.795 809 HZ3 LYS 102 HZ3 LYS 102 8.247 15.729 -6.936 810 H ALA 103 H ALA 103 3.833 9.781 -5.172 811 HA ALA 103 HA ALA 103 5.576 7.565 -5.414 812 HB1 ALA 103 HB1 ALA 103 4.044 6.372 -3.926 813 HB2 ALA 103 HB2 ALA 103 2.828 7.627 -4.165 814 HB3 ALA 103 HB3 ALA 103 4.338 8.010 -3.341 815 H GLN 104 H GLN 104 2.599 8.417 -7.001 816 HA GLN 104 HA GLN 104 2.007 5.800 -7.971 817 HB2 GLN 104 HB2 GLN 104 1.190 8.478 -9.104 818 HB3 GLN 104 HB1 GLN 104 0.413 6.934 -9.428 819 HG2 GLN 104 HG2 GLN 104 -0.246 6.794 -7.043 820 HG3 GLN 104 HG1 GLN 104 0.520 8.349 -6.777 821 HE21 GLN 104 HE21 GLN 104 -0.392 9.422 -9.362 822 HE22 GLN 104 HE22 GLN 104 -2.070 9.744 -9.138 823 H MET 105 H MET 105 4.077 8.336 -8.838 824 HA MET 105 HA MET 105 4.679 7.285 -11.481 825 HB2 MET 105 HB2 MET 105 5.941 9.565 -10.050 826 HB3 MET 105 HB1 MET 105 6.092 9.205 -11.761 827 HG2 MET 105 HG2 MET 105 3.560 9.463 -11.872 828 HG3 MET 105 HG1 MET 105 3.685 10.217 -10.301 829 HE1 MET 105 HE1 MET 105 4.989 12.513 -9.802 830 HE2 MET 105 HE2 MET 105 5.943 13.356 -11.022 831 HE3 MET 105 HE3 MET 105 6.449 11.765 -10.453 832 H LEU 106 H LEU 106 5.659 6.846 -8.324 833 HA LEU 106 HA LEU 106 8.435 6.697 -8.440 834 HB2 LEU 106 HB2 LEU 106 6.488 6.191 -6.529 835 HB3 LEU 106 HB1 LEU 106 7.230 4.633 -6.768 836 HG LEU 106 HG LEU 106 8.236 5.740 -4.889 837 HD11 LEU 106 HD11 LEU 106 10.126 5.673 -7.225 838 HD12 LEU 106 HD12 LEU 106 9.689 4.316 -6.188 839 HD13 LEU 106 HD13 LEU 106 10.590 5.679 -5.524 840 HD21 LEU 106 HD21 LEU 106 7.763 8.047 -5.499 841 HD22 LEU 106 HD22 LEU 106 8.952 7.969 -6.796 842 HD23 LEU 106 HD23 LEU 106 9.468 7.837 -5.113 843 HA PRO 107 HA PRO 107 7.949 2.043 -9.820 844 HB2 PRO 107 HB2 PRO 107 5.707 1.589 -11.346 845 HB3 PRO 107 HB1 PRO 107 5.865 1.118 -9.651 846 HG2 PRO 107 HG2 PRO 107 4.543 3.518 -10.840 847 HG3 PRO 107 HG1 PRO 107 3.998 2.483 -9.505 848 HD2 PRO 107 HD2 PRO 107 5.126 4.861 -9.044 849 HD3 PRO 107 HD1 PRO 107 5.451 3.465 -7.989 850 H ASN 108 H ASN 108 6.796 4.847 -11.671 851 HA ASN 108 HA ASN 108 7.775 3.847 -14.132 852 HB2 ASN 108 HB2 ASN 108 6.854 6.520 -13.106 853 HB3 ASN 108 HB1 ASN 108 7.317 6.224 -14.773 854 HD21 ASN 108 HD21 ASN 108 5.897 5.052 -16.066 855 HD22 ASN 108 HD22 ASN 108 4.264 4.742 -15.610 856 H GLN 109 H GLN 109 8.749 6.168 -11.691 857 HA GLN 109 HA GLN 109 11.099 7.140 -12.899 858 HB2 GLN 109 HB2 GLN 109 10.344 7.018 -9.987 859 HB3 GLN 109 HB1 GLN 109 11.708 7.917 -10.621 860 HG2 GLN 109 HG2 GLN 109 10.231 9.358 -11.853 861 HG3 GLN 109 HG1 GLN 109 8.833 8.401 -11.350 862 HE21 GLN 109 HE21 GLN 109 8.122 8.549 -9.239 863 HE22 GLN 109 HE22 GLN 109 8.607 9.827 -8.189 864 H CYS 110 H CYS 110 10.646 4.638 -10.433 865 HA CYS 110 HA CYS 110 13.500 4.119 -10.277 866 HB2 CYS 110 HB2 CYS 110 11.737 4.053 -8.352 867 HB3 CYS 110 HB1 CYS 110 11.280 2.534 -9.022 868 H ASN 111 H ASN 111 11.140 3.339 -12.354 869 HA ASN 111 HA ASN 111 10.685 1.838 -13.896 870 HB2 ASN 111 HB2 ASN 111 13.052 2.445 -14.581 871 HB3 ASN 111 HB1 ASN 111 13.581 0.966 -13.783 872 HD21 ASN 111 HD21 ASN 111 13.128 -0.997 -14.747 873 HD22 ASN 111 HD22 ASN 111 12.486 -1.148 -16.345 874 H LEU 112 H LEU 112 9.580 1.045 -12.115 875 HA LEU 112 HA LEU 112 10.273 -1.680 -11.297 876 HB2 LEU 112 HB2 LEU 112 7.979 0.032 -10.346 877 HB3 LEU 112 HB1 LEU 112 8.632 -1.403 -9.578 878 HG LEU 112 HG LEU 112 9.984 1.263 -9.826 879 HD11 LEU 112 HD11 LEU 112 8.904 -0.150 -7.395 880 HD12 LEU 112 HD12 LEU 112 8.347 1.393 -8.058 881 HD13 LEU 112 HD13 LEU 112 9.938 1.258 -7.341 882 HD21 LEU 112 HD21 LEU 112 11.043 -1.323 -8.697 883 HD22 LEU 112 HD22 LEU 112 11.791 0.259 -8.442 884 HD23 LEU 112 HD23 LEU 112 11.653 -0.400 -10.065 885 H GLN 113 H GLN 113 8.566 -3.302 -11.446 886 HA GLN 113 HA GLN 113 7.395 -3.462 -14.042 887 HB2 GLN 113 HB2 GLN 113 7.027 -5.245 -11.648 888 HB3 GLN 113 HB1 GLN 113 6.640 -5.638 -13.320 889 HG2 GLN 113 HG2 GLN 113 8.944 -5.455 -13.929 890 HG3 GLN 113 HG1 GLN 113 9.308 -4.945 -12.274 891 HE21 GLN 113 HE21 GLN 113 6.978 -7.471 -12.835 892 HE22 GLN 113 HE22 GLN 113 7.958 -8.763 -12.246 893 H CYS 114 H CYS 114 6.193 -1.317 -12.940 894 HA CYS 114 HA CYS 114 3.409 -1.975 -12.877 895 HB2 CYS 114 HB2 CYS 114 4.982 -1.111 -10.575 896 HB3 CYS 114 HB1 CYS 114 3.250 -0.660 -10.595 897 H SER 115 H SER 115 2.202 -0.053 -13.230 898 HA SER 115 HA SER 115 3.493 2.520 -13.090 899 HB2 SER 115 HB2 SER 115 2.322 1.444 -15.681 900 HB3 SER 115 HB1 SER 115 2.905 3.090 -15.424 901 HG SER 115 HG SER 115 4.766 1.344 -14.656 902 H ILE 116 H ILE 116 1.984 3.714 -11.959 903 HA ILE 116 HA ILE 116 -0.757 3.019 -12.482 904 HB ILE 116 HB ILE 116 -1.159 3.890 -10.129 905 HG12 ILE 116 HG12 ILE 116 1.733 3.055 -9.889 906 HG13 ILE 116 HG11 ILE 116 1.095 4.680 -9.654 907 HG21 ILE 116 HG21 ILE 116 0.067 1.182 -10.658 908 HG22 ILE 116 HG22 ILE 116 -1.633 1.622 -10.827 909 HG23 ILE 116 HG23 ILE 116 -0.884 1.588 -9.231 910 HD11 ILE 116 HD11 ILE 116 1.534 3.564 -7.534 911 HD12 ILE 116 HD12 ILE 116 0.423 2.271 -8.055 912 HD13 ILE 116 HD13 ILE 116 -0.196 3.900 -7.784 Start of MODEL 2 1 H1 GLY 1 H GLY 1 1.668 -12.202 4.433 2 H2 GLY 1 HT1 GLY 1 2.084 -12.280 4.891 3 H3 GLY 1 HT2 GLY 1 1.226 -13.481 5.666 4 HA2 GLY 1 HA1 GLY 1 1.874 -15.076 3.976 5 HA3 GLY 1 HA2 GLY 1 2.883 -13.808 3.273 6 H ARG 2 H ARG 2 4.039 -16.104 4.162 7 HA ARG 2 HA ARG 2 5.072 -15.532 6.859 8 HB2 ARG 2 HB2 ARG 2 5.540 -17.958 5.128 9 HB3 ARG 2 HB1 ARG 2 5.900 -17.792 6.844 10 HG2 ARG 2 HG2 ARG 2 3.503 -17.583 7.323 11 HG3 ARG 2 HG1 ARG 2 3.186 -17.742 5.591 12 HD2 ARG 2 HD2 ARG 2 4.226 -19.971 5.636 13 HD3 ARG 2 HD1 ARG 2 4.421 -19.814 7.380 14 HE ARG 2 HE ARG 2 2.056 -19.804 7.622 15 HH11 ARG 2 HH11 ARG 2 3.184 -20.694 4.406 16 HH12 ARG 2 HH12 ARG 2 1.751 -21.454 3.937 17 HH21 ARG 2 HH21 ARG 2 0.073 -20.918 7.009 18 HH22 ARG 2 HH22 ARG 2 -0.045 -21.617 5.456 19 H CYS 3 H CYS 3 7.178 -15.215 7.301 20 HA CYS 3 HA CYS 3 8.960 -14.929 5.002 21 HB2 CYS 3 HB2 CYS 3 8.835 -13.085 7.391 22 HB3 CYS 3 HB1 CYS 3 9.975 -13.007 6.069 23 H THR 4 H THR 4 11.071 -15.447 5.412 24 HA THR 4 HA THR 4 11.523 -17.255 7.555 25 HB THR 4 HB THR 4 13.832 -17.405 6.645 26 HG1 THR 4 HG1 THR 4 14.537 -16.093 5.101 27 HG21 THR 4 HG21 THR 4 11.706 -17.418 4.498 28 HG22 THR 4 HG22 THR 4 12.090 -18.756 5.574 29 HG23 THR 4 HG23 THR 4 13.273 -18.214 4.386 30 H LYS 5 H LYS 5 12.779 -16.883 9.404 31 HA LYS 5 HA LYS 5 13.110 -14.091 10.017 32 HB2 LYS 5 HB2 LYS 5 13.396 -16.521 11.815 33 HB3 LYS 5 HB1 LYS 5 13.761 -14.893 12.352 34 HG2 LYS 5 HG2 LYS 5 11.577 -15.401 13.147 35 HG3 LYS 5 HG1 LYS 5 11.368 -14.286 11.803 36 HD2 LYS 5 HD2 LYS 5 10.894 -16.256 10.335 37 HD3 LYS 5 HD1 LYS 5 10.962 -17.279 11.767 38 HE2 LYS 5 HE2 LYS 5 9.016 -15.018 11.266 39 HE3 LYS 5 HE1 LYS 5 8.649 -16.734 11.189 40 HZ1 LYS 5 HZ1 LYS 5 9.215 -16.860 13.596 41 HZ2 LYS 5 HZ2 LYS 5 7.901 -15.897 13.290 42 HZ3 LYS 5 HZ3 LYS 5 9.386 -15.182 13.623 43 H SER 6 H SER 6 14.652 -13.941 8.317 44 HA SER 6 HA SER 6 17.332 -14.035 9.357 45 HB2 SER 6 HB2 SER 6 16.920 -16.199 8.071 46 HB3 SER 6 HB1 SER 6 16.606 -15.189 6.658 47 HG SER 6 HG SER 6 18.986 -15.652 8.053 48 H ILE 7 H ILE 7 18.669 -12.776 7.626 49 HA ILE 7 HA ILE 7 16.956 -10.775 6.349 50 HB ILE 7 HB ILE 7 19.490 -10.193 7.942 51 HG12 ILE 7 HG12 ILE 7 17.806 -8.566 9.154 52 HG13 ILE 7 HG11 ILE 7 16.592 -9.649 8.475 53 HG21 ILE 7 HG21 ILE 7 19.138 -7.832 7.406 54 HG22 ILE 7 HG22 ILE 7 17.785 -8.277 6.368 55 HG23 ILE 7 HG23 ILE 7 19.418 -8.804 5.959 56 HD11 ILE 7 HD11 ILE 7 17.101 -10.209 10.782 57 HD12 ILE 7 HD12 ILE 7 18.794 -10.454 10.359 58 HD13 ILE 7 HD13 ILE 7 17.555 -11.516 9.689 59 HA PRO 8 HA PRO 8 16.773 -9.542 4.699 60 HB2 PRO 8 HB2 PRO 8 16.033 -10.057 2.143 61 HB3 PRO 8 HB1 PRO 8 17.273 -8.870 2.570 62 HG2 PRO 8 HG2 PRO 8 17.606 -11.683 1.605 63 HG3 PRO 8 HG1 PRO 8 18.486 -10.225 1.116 64 HD2 PRO 8 HD2 PRO 8 19.495 -12.014 2.883 65 HD3 PRO 8 HD1 PRO 8 19.862 -10.281 2.959 66 HA PRO 9 HA PRO 9 13.973 -12.875 5.594 67 HB2 PRO 9 HB2 PRO 9 11.624 -11.498 5.480 68 HB3 PRO 9 HB1 PRO 9 12.715 -11.438 6.870 69 HG2 PRO 9 HG2 PRO 9 12.388 -9.514 4.619 70 HG3 PRO 9 HG1 PRO 9 12.630 -9.185 6.357 71 HD2 PRO 9 HD2 PRO 9 14.632 -8.980 4.546 72 HD3 PRO 9 HD1 PRO 9 14.915 -9.518 6.215 73 H ILE 10 H ILE 10 13.215 -14.369 4.311 74 HA ILE 10 HA ILE 10 12.517 -13.662 1.598 75 HB ILE 10 HB ILE 10 12.722 -16.407 2.875 76 HG12 ILE 10 HG12 ILE 10 14.867 -15.242 3.018 77 HG13 ILE 10 HG11 ILE 10 14.960 -16.593 1.894 78 HG21 ILE 10 HG21 ILE 10 12.721 -15.588 -0.025 79 HG22 ILE 10 HG22 ILE 10 11.390 -16.351 0.840 80 HG23 ILE 10 HG23 ILE 10 12.895 -17.238 0.583 81 HD11 ILE 10 HD11 ILE 10 14.750 -13.666 1.193 82 HD12 ILE 10 HD12 ILE 10 14.751 -14.986 0.024 83 HD13 ILE 10 HD13 ILE 10 16.175 -14.692 1.021 84 H CYS 11 H CYS 11 10.457 -13.199 1.286 85 HA CYS 11 HA CYS 11 8.519 -14.289 3.166 86 HB2 CYS 11 HB2 CYS 11 8.404 -11.759 1.536 87 HB3 CYS 11 HB1 CYS 11 7.118 -12.358 2.586 88 H PHE 12 H PHE 12 6.831 -15.323 2.519 89 HA PHE 12 HA PHE 12 6.576 -15.815 -0.331 90 HB2 PHE 12 HB2 PHE 12 6.105 -17.572 2.043 91 HB3 PHE 12 HB1 PHE 12 5.395 -17.936 0.470 92 HD1 PHE 12 HD1 PHE 12 8.456 -17.832 2.454 93 HD2 PHE 12 HD2 PHE 12 6.838 -18.432 -1.425 94 HE1 PHE 12 HE1 PHE 12 10.590 -18.801 1.718 95 HE2 PHE 12 HE2 PHE 12 8.940 -19.397 -2.176 96 HZ PHE 12 HZ PHE 12 10.844 -19.591 -0.603 97 HA PRO 13 HA PRO 13 2.545 -14.070 0.065 98 HB2 PRO 13 HB2 PRO 13 1.619 -14.644 -2.367 99 HB3 PRO 13 HB1 PRO 13 2.969 -13.518 -2.139 100 HG2 PRO 13 HG2 PRO 13 3.001 -16.356 -3.062 101 HG3 PRO 13 HG1 PRO 13 3.990 -14.989 -3.599 102 HD2 PRO 13 HD2 PRO 13 4.754 -16.945 -1.765 103 HD3 PRO 13 HD1 PRO 13 5.557 -15.389 -2.000 104 H ASP 14 H ASP 14 3.012 -16.850 0.989 105 HA ASP 14 HA ASP 14 0.377 -18.019 0.508 106 HB2 ASP 14 HB2 ASP 14 2.064 -19.435 -0.511 107 HB3 ASP 14 HB1 ASP 14 3.035 -19.396 0.952 108 H GLY 15 H GLY 15 -0.738 -18.478 2.253 109 HA2 GLY 15 HA2 GLY 15 -0.261 -19.280 4.711 110 HA3 GLY 15 HA1 GLY 15 0.303 -17.614 4.835 111 H LEU 16 H LEU 16 -1.134 -15.985 4.697 112 HA LEU 16 HA LEU 16 -3.950 -16.607 4.632 113 HB2 LEU 16 HB2 LEU 16 -3.045 -17.297 6.894 114 HB3 LEU 16 HB1 LEU 16 -2.727 -15.601 7.180 115 HG LEU 16 HG LEU 16 -5.155 -15.153 6.913 116 HD11 LEU 16 HD11 LEU 16 -6.669 -17.119 7.023 117 HD12 LEU 16 HD12 LEU 16 -5.246 -18.158 6.785 118 HD13 LEU 16 HD13 LEU 16 -5.735 -17.039 5.526 119 HD21 LEU 16 HD21 LEU 16 -4.361 -17.182 8.989 120 HD22 LEU 16 HD22 LEU 16 -5.758 -16.099 9.094 121 HD23 LEU 16 HD23 LEU 16 -4.115 -15.440 9.094 122 H ASP 17 H ASP 17 -1.681 -14.359 5.948 123 HA ASP 17 HA ASP 17 -3.218 -12.017 5.411 124 HB2 ASP 17 HB2 ASP 17 -1.636 -11.989 7.231 125 HB3 ASP 17 HB1 ASP 17 -0.319 -12.367 6.133 126 H ASN 18 H ASN 18 -3.616 -11.345 3.458 127 HA ASN 18 HA ASN 18 -1.396 -11.070 1.563 128 HB2 ASN 18 HB2 ASN 18 -2.827 -13.054 0.943 129 HB3 ASN 18 HB1 ASN 18 -4.195 -11.960 0.803 130 HD21 ASN 18 HD21 ASN 18 -1.358 -13.177 -0.691 131 HD22 ASN 18 HD22 ASN 18 -1.523 -12.349 -2.194 132 HA PRO 19 HA PRO 19 -3.733 -7.159 2.004 133 HB2 PRO 19 HB2 PRO 19 -1.276 -5.696 2.214 134 HB3 PRO 19 HB1 PRO 19 -2.448 -6.019 3.483 135 HG2 PRO 19 HG2 PRO 19 0.125 -7.075 3.382 136 HG3 PRO 19 HG1 PRO 19 -1.207 -7.703 4.361 137 HD2 PRO 19 HD2 PRO 19 -0.134 -8.685 1.760 138 HD3 PRO 19 HD1 PRO 19 -0.825 -9.597 3.120 139 H ARG 20 H ARG 20 -1.107 -8.122 0.024 140 HA ARG 20 HA ARG 20 -2.172 -6.632 -2.233 141 HB2 ARG 20 HB2 ARG 20 0.839 -6.637 -1.723 142 HB3 ARG 20 HB1 ARG 20 -0.001 -5.855 -3.039 143 HG2 ARG 20 HG2 ARG 20 0.552 -4.061 -1.697 144 HG3 ARG 20 HG1 ARG 20 -1.072 -4.429 -1.110 145 HD2 ARG 20 HD2 ARG 20 0.010 -5.869 0.647 146 HD3 ARG 20 HD1 ARG 20 1.556 -5.215 0.131 147 HE ARG 20 HE ARG 20 -0.177 -3.100 0.668 148 HH11 ARG 20 HH11 ARG 20 1.762 -5.545 2.359 149 HH12 ARG 20 HH12 ARG 20 1.768 -4.749 3.847 150 HH21 ARG 20 HH21 ARG 20 -0.221 -1.989 2.804 151 HH22 ARG 20 HH22 ARG 20 0.610 -2.699 4.091 152 H GLY 21 H GLY 21 0.440 -8.623 -1.071 153 HA2 GLY 21 HA2 GLY 21 -0.034 -11.091 -1.843 154 HA3 GLY 21 HA1 GLY 21 0.550 -10.335 -3.356 155 H CYS 22 H CYS 22 2.231 -8.681 -2.806 156 HA CYS 22 HA CYS 22 4.409 -9.936 -1.448 157 HB2 CYS 22 HB2 CYS 22 4.077 -7.360 -2.958 158 HB3 CYS 22 HB1 CYS 22 5.541 -7.763 -2.079 159 H GLN 23 H GLN 23 4.840 -9.554 0.631 160 HA GLN 23 HA GLN 23 3.747 -7.125 1.767 161 HB2 GLN 23 HB2 GLN 23 3.970 -8.159 3.958 162 HB3 GLN 23 HB1 GLN 23 2.922 -9.098 2.892 163 HG2 GLN 23 HG2 GLN 23 4.833 -10.613 2.479 164 HG3 GLN 23 HG1 GLN 23 5.751 -9.718 3.689 165 HE21 GLN 23 HE21 GLN 23 5.919 -11.438 5.077 166 HE22 GLN 23 HE22 GLN 23 4.569 -12.063 5.944 167 H ILE 24 H ILE 24 5.060 -5.587 2.052 168 HA ILE 24 HA ILE 24 7.923 -6.152 2.193 169 HB ILE 24 HB ILE 24 6.565 -3.577 1.237 170 HG12 ILE 24 HG12 ILE 24 7.435 -4.272 -1.077 171 HG13 ILE 24 HG11 ILE 24 7.544 -5.909 -0.410 172 HG21 ILE 24 HG21 ILE 24 8.687 -3.083 0.233 173 HG22 ILE 24 HG22 ILE 24 9.395 -4.542 0.911 174 HG23 ILE 24 HG23 ILE 24 8.860 -3.229 1.990 175 HD11 ILE 24 HD11 ILE 24 5.127 -5.849 -0.050 176 HD12 ILE 24 HD12 ILE 24 5.559 -5.590 -1.739 177 HD13 ILE 24 HD13 ILE 24 5.075 -4.223 -0.733 178 H ARG 25 H ARG 25 9.015 -5.066 3.904 179 HA ARG 25 HA ARG 25 7.351 -4.555 6.128 180 HB2 ARG 25 HB2 ARG 25 9.454 -4.049 7.329 181 HB3 ARG 25 HB1 ARG 25 9.503 -5.587 6.487 182 HG2 ARG 25 HG2 ARG 25 10.831 -4.375 4.665 183 HG3 ARG 25 HG1 ARG 25 10.840 -3.014 5.764 184 HD2 ARG 25 HD2 ARG 25 11.972 -4.249 7.460 185 HD3 ARG 25 HD1 ARG 25 11.836 -5.730 6.504 186 HE ARG 25 HE ARG 25 13.318 -4.715 4.883 187 HH11 ARG 25 HH11 ARG 25 13.450 -3.408 8.223 188 HH12 ARG 25 HH12 ARG 25 14.981 -2.740 8.007 189 HH21 ARG 25 HH21 ARG 25 15.438 -3.875 4.687 190 HH22 ARG 25 HH22 ARG 25 16.177 -3.021 5.961 191 H ILE 26 H ILE 26 6.307 -2.793 6.593 192 HA ILE 26 HA ILE 26 6.517 -0.512 4.957 193 HB ILE 26 HB ILE 26 4.811 0.546 6.361 194 HG12 ILE 26 HG12 ILE 26 3.733 -1.002 8.185 195 HG13 ILE 26 HG11 ILE 26 5.313 -1.764 8.242 196 HG21 ILE 26 HG21 ILE 26 4.283 -2.325 5.719 197 HG22 ILE 26 HG22 ILE 26 4.090 -0.935 4.647 198 HG23 ILE 26 HG23 ILE 26 3.032 -1.129 6.052 199 HD11 ILE 26 HD11 ILE 26 4.732 1.139 8.801 200 HD12 ILE 26 HD12 ILE 26 6.315 0.364 8.894 201 HD13 ILE 26 HD13 ILE 26 5.030 -0.114 10.005 202 H GLN 27 H GLN 27 8.319 -1.396 7.560 203 HA GLN 27 HA GLN 27 8.862 1.197 8.638 204 HB2 GLN 27 HB2 GLN 27 10.622 0.105 9.920 205 HB3 GLN 27 HB1 GLN 27 9.145 -0.852 9.951 206 HG2 GLN 27 HG2 GLN 27 10.033 -2.377 8.310 207 HG3 GLN 27 HG1 GLN 27 11.471 -1.390 8.132 208 HE21 GLN 27 HE21 GLN 27 10.016 -2.037 11.270 209 HE22 GLN 27 HE22 GLN 27 11.302 -3.046 11.808 210 H GLN 28 H GLN 28 9.962 -0.629 5.917 211 HA GLN 28 HA GLN 28 12.416 0.842 5.747 212 HB2 GLN 28 HB2 GLN 28 13.019 -0.514 3.910 213 HB3 GLN 28 HB1 GLN 28 12.051 -1.554 4.956 214 HG2 GLN 28 HG2 GLN 28 10.212 -1.467 3.549 215 HG3 GLN 28 HG1 GLN 28 10.870 -0.111 2.630 216 HE21 GLN 28 HE21 GLN 28 12.763 -2.861 3.606 217 HE22 GLN 28 HE22 GLN 28 12.945 -3.508 2.015 218 H LEU 29 H LEU 29 9.178 1.167 4.819 219 HA LEU 29 HA LEU 29 9.786 3.054 2.678 220 HB2 LEU 29 HB2 LEU 29 7.166 1.950 3.623 221 HB3 LEU 29 HB1 LEU 29 7.290 3.236 2.452 222 HG LEU 29 HG LEU 29 6.964 1.446 1.127 223 HD11 LEU 29 HD11 LEU 29 9.047 0.879 -0.016 224 HD12 LEU 29 HD12 LEU 29 9.945 1.508 1.374 225 HD13 LEU 29 HD13 LEU 29 8.946 2.594 0.425 226 HD21 LEU 29 HD21 LEU 29 6.921 -0.258 2.799 227 HD22 LEU 29 HD22 LEU 29 8.667 -0.172 2.989 228 HD23 LEU 29 HD23 LEU 29 7.975 -0.806 1.486 229 H ASN 30 H ASN 30 9.641 3.152 5.838 230 HA ASN 30 HA ASN 30 7.932 5.279 6.424 231 HB2 ASN 30 HB2 ASN 30 8.844 3.858 8.190 232 HB3 ASN 30 HB1 ASN 30 10.464 4.453 7.876 233 HD21 ASN 30 HD21 ASN 30 11.072 6.458 8.677 234 HD22 ASN 30 HD22 ASN 30 10.070 7.352 9.757 235 H HIS 31 H HIS 31 11.161 5.274 5.076 236 HA HIS 31 HA HIS 31 11.655 8.067 5.492 237 HB2 HIS 31 HB2 HIS 31 13.463 6.214 4.765 238 HB3 HIS 31 HB1 HIS 31 12.839 6.547 3.179 239 HD1 HIS 31 HD1 HIS 31 15.658 7.466 4.880 240 HD2 HIS 31 HD2 HIS 31 12.718 9.671 2.946 241 HE1 HIS 31 HE1 HIS 31 16.723 9.653 4.250 242 H CYS 32 H CYS 32 10.672 6.125 2.727 243 HA CYS 32 HA CYS 32 10.236 8.120 0.833 244 HB2 CYS 32 HB2 CYS 32 10.170 5.420 0.836 245 HB3 CYS 32 HB1 CYS 32 8.453 5.722 0.955 246 H GLN 33 H GLN 33 8.014 6.608 3.070 247 HA GLN 33 HA GLN 33 5.682 7.947 2.702 248 HB2 GLN 33 HB2 GLN 33 5.821 6.116 4.112 249 HB3 GLN 33 HB1 GLN 33 7.141 6.797 5.022 250 HG2 GLN 33 HG2 GLN 33 5.574 8.566 5.763 251 HG3 GLN 33 HG1 GLN 33 4.259 7.566 5.115 252 HE21 GLN 33 HE21 GLN 33 6.729 7.880 7.532 253 HE22 GLN 33 HE22 GLN 33 6.245 6.585 8.532 254 H MET 34 H MET 34 8.345 8.841 4.956 255 HA MET 34 HA MET 34 6.968 11.160 5.845 256 HB2 MET 34 HB2 MET 34 8.854 11.646 7.208 257 HB3 MET 34 HB1 MET 34 8.564 9.901 7.246 258 HG2 MET 34 HG2 MET 34 10.422 9.631 5.649 259 HG3 MET 34 HG1 MET 34 10.737 11.357 5.768 260 HE1 MET 34 HE1 MET 34 11.438 12.572 8.055 261 HE2 MET 34 HE2 MET 34 11.738 11.716 9.565 262 HE3 MET 34 HE3 MET 34 10.100 11.825 8.928 263 H HIS 35 H HIS 35 9.396 10.547 3.498 264 HA HIS 35 HA HIS 35 10.016 13.285 3.157 265 HB2 HIS 35 HB2 HIS 35 11.475 12.695 1.308 266 HB3 HIS 35 HB1 HIS 35 11.558 11.432 2.521 267 HD1 HIS 35 HD1 HIS 35 9.220 11.737 -0.532 268 HD2 HIS 35 HD2 HIS 35 12.228 9.338 1.026 269 HE1 HIS 35 HE1 HIS 35 9.553 9.857 -2.172 270 H LEU 36 H LEU 36 7.524 11.352 1.930 271 HA LEU 36 HA LEU 36 6.746 13.356 -0.014 272 HB2 LEU 36 HB2 LEU 36 5.353 10.851 0.884 273 HB3 LEU 36 HB1 LEU 36 4.751 11.943 -0.358 274 HG LEU 36 HG LEU 36 7.351 10.422 -0.486 275 HD11 LEU 36 HD11 LEU 36 6.245 9.035 -2.155 276 HD12 LEU 36 HD12 LEU 36 4.730 9.894 -1.866 277 HD13 LEU 36 HD13 LEU 36 5.451 8.917 -0.585 278 HD21 LEU 36 HD21 LEU 36 5.911 12.071 -2.562 279 HD22 LEU 36 HD22 LEU 36 7.336 11.080 -2.860 280 HD23 LEU 36 HD23 LEU 36 7.444 12.469 -1.782 281 H THR 37 H THR 37 5.732 12.352 3.247 282 HA THR 37 HA THR 37 3.444 14.038 3.033 283 HB THR 37 HB THR 37 2.980 13.426 5.377 284 HG1 THR 37 HG1 THR 37 4.502 11.635 6.105 285 HG21 THR 37 HG21 THR 37 3.792 11.122 3.617 286 HG22 THR 37 HG22 THR 37 2.232 11.947 3.594 287 HG23 THR 37 HG23 THR 37 2.718 11.010 5.008 288 H SER 38 H SER 38 6.666 14.598 3.882 289 HA SER 38 HA SER 38 6.001 16.882 5.546 290 HB2 SER 38 HB2 SER 38 8.464 17.132 5.871 291 HB3 SER 38 HB1 SER 38 7.837 15.566 6.380 292 HG SER 38 HG SER 38 8.710 14.622 4.668 293 H PHE 39 H PHE 39 6.089 18.944 4.968 294 HA PHE 39 HA PHE 39 7.277 19.599 2.379 295 HB2 PHE 39 HB2 PHE 39 4.979 20.942 3.823 296 HB3 PHE 39 HB1 PHE 39 5.771 21.616 2.405 297 HD1 PHE 39 HD1 PHE 39 5.692 20.328 0.257 298 HD2 PHE 39 HD2 PHE 39 3.279 19.349 3.617 299 HE1 PHE 39 HE1 PHE 39 4.183 19.057 -1.204 300 HE2 PHE 39 HE2 PHE 39 1.770 18.080 2.170 301 HZ PHE 39 HZ PHE 39 2.223 17.931 -0.256 302 H ASP 40 H ASP 40 9.114 20.568 2.637 303 HA ASP 40 HA ASP 40 9.835 21.652 5.236 304 HB2 ASP 40 HB2 ASP 40 11.300 20.196 3.616 305 HB3 ASP 40 HB1 ASP 40 11.630 21.737 2.838 306 H TYR 41 H TYR 41 11.177 23.690 5.125 307 HA TYR 41 HA TYR 41 9.410 25.657 3.827 308 HB2 TYR 41 HB2 TYR 41 9.661 27.103 5.677 309 HB3 TYR 41 HB1 TYR 41 9.431 25.487 6.340 310 HD1 TYR 41 HD1 TYR 41 11.426 28.404 6.454 311 HD2 TYR 41 HD2 TYR 41 11.641 24.193 6.957 312 HE1 TYR 41 HE1 TYR 41 13.488 28.677 7.739 313 HE2 TYR 41 HE2 TYR 41 13.713 24.445 8.238 314 HH TYR 41 HH TYR 41 15.555 26.161 8.443 315 H LYS 42 H LYS 42 12.714 24.633 4.316 316 HA LYS 42 HA LYS 42 13.679 27.165 3.334 317 HB2 LYS 42 HB2 LYS 42 15.810 26.588 4.038 318 HB3 LYS 42 HB1 LYS 42 14.794 25.643 5.103 319 HG2 LYS 42 HG2 LYS 42 16.243 24.584 2.674 320 HG3 LYS 42 HG1 LYS 42 16.791 24.438 4.342 321 HD2 LYS 42 HD2 LYS 42 14.723 23.153 4.813 322 HD3 LYS 42 HD1 LYS 42 14.353 23.206 3.087 323 HE2 LYS 42 HE2 LYS 42 16.536 22.110 2.630 324 HE3 LYS 42 HE1 LYS 42 16.799 21.983 4.365 325 HZ1 LYS 42 HZ1 LYS 42 14.664 20.641 4.422 326 HZ2 LYS 42 HZ2 LYS 42 15.965 19.920 3.680 327 HZ3 LYS 42 HZ3 LYS 42 14.749 20.567 2.739 328 H LEU 43 H LEU 43 12.178 25.020 1.803 329 HA LEU 43 HA LEU 43 13.669 24.426 -0.542 330 HB2 LEU 43 HB2 LEU 43 10.698 24.874 -0.234 331 HB3 LEU 43 HB1 LEU 43 11.475 24.016 -1.544 332 HG LEU 43 HG LEU 43 11.388 23.132 1.335 333 HD11 LEU 43 HD11 LEU 43 9.223 22.970 0.304 334 HD12 LEU 43 HD12 LEU 43 9.909 21.364 0.531 335 HD13 LEU 43 HD13 LEU 43 9.906 22.101 -1.075 336 HD21 LEU 43 HD21 LEU 43 13.416 22.365 0.251 337 HD22 LEU 43 HD22 LEU 43 12.478 21.740 -1.108 338 HD23 LEU 43 HD23 LEU 43 12.300 21.021 0.495 339 H ARG 44 H ARG 44 14.604 26.101 -1.657 340 HA ARG 44 HA ARG 44 13.020 28.577 -1.991 341 HB2 ARG 44 HB2 ARG 44 16.025 28.359 -2.123 342 HB3 ARG 44 HB1 ARG 44 15.072 29.830 -2.132 343 HG2 ARG 44 HG2 ARG 44 15.407 27.922 0.177 344 HG3 ARG 44 HG1 ARG 44 16.149 29.508 0.001 345 HD2 ARG 44 HD2 ARG 44 13.911 30.546 0.091 346 HD3 ARG 44 HD1 ARG 44 13.189 28.944 0.251 347 HE ARG 44 HE ARG 44 15.127 29.304 2.236 348 HH11 ARG 44 HH11 ARG 44 11.821 30.373 1.460 349 HH12 ARG 44 HH12 ARG 44 11.408 30.741 3.062 350 HH21 ARG 44 HH21 ARG 44 14.529 29.806 4.469 351 HH22 ARG 44 HH22 ARG 44 12.975 30.416 4.795 352 H MET 45 H MET 45 13.910 25.928 -3.553 353 HA MET 45 HA MET 45 13.438 27.070 -6.148 354 HB2 MET 45 HB2 MET 45 15.569 26.237 -7.124 355 HB3 MET 45 HB1 MET 45 15.807 27.562 -5.995 356 HG2 MET 45 HG2 MET 45 16.435 25.972 -4.276 357 HG3 MET 45 HG1 MET 45 16.258 24.640 -5.420 358 HE1 MET 45 HE1 MET 45 19.072 25.637 -8.070 359 HE2 MET 45 HE2 MET 45 17.409 26.213 -8.083 360 HE3 MET 45 HE3 MET 45 17.752 24.520 -7.723 361 H ALA 46 H ALA 46 12.268 25.118 -4.357 362 HA ALA 46 HA ALA 46 12.663 22.728 -5.975 363 HB1 ALA 46 HB1 ALA 46 11.922 22.793 -3.063 364 HB2 ALA 46 HB2 ALA 46 13.517 22.391 -3.709 365 HB3 ALA 46 HB3 ALA 46 12.131 21.358 -4.060 366 H VAL 47 H VAL 47 11.098 23.332 -7.364 367 HA VAL 47 HA VAL 47 8.380 22.793 -6.391 368 HB VAL 47 HB VAL 47 9.192 24.402 -8.849 369 HG11 VAL 47 HG11 VAL 47 6.457 23.880 -7.693 370 HG12 VAL 47 HG12 VAL 47 7.108 23.196 -9.182 371 HG13 VAL 47 HG13 VAL 47 6.814 24.932 -9.063 372 HG21 VAL 47 HG21 VAL 47 7.976 25.370 -6.260 373 HG22 VAL 47 HG22 VAL 47 8.252 26.358 -7.694 374 HG23 VAL 47 HG23 VAL 47 9.621 25.675 -6.817 375 H GLU 48 H GLU 48 10.288 22.859 -9.349 376 HA GLU 48 HA GLU 48 10.005 19.985 -9.635 377 HB2 GLU 48 HB2 GLU 48 9.838 22.053 -11.845 378 HB3 GLU 48 HB1 GLU 48 10.051 20.335 -12.123 379 HG2 GLU 48 HG2 GLU 48 7.884 19.935 -11.011 380 HG3 GLU 48 HG1 GLU 48 7.671 21.682 -10.886 381 H ASN 49 H ASN 49 11.949 19.485 -8.977 382 HA ASN 49 HA ASN 49 14.243 20.702 -10.259 383 HB2 ASN 49 HB2 ASN 49 13.786 22.097 -8.290 384 HB3 ASN 49 HB1 ASN 49 13.737 20.692 -7.259 385 HD21 ASN 49 HD21 ASN 49 15.283 23.081 -7.090 386 HD22 ASN 49 HD22 ASN 49 16.946 22.616 -7.021 387 HA PRO 50 HA PRO 50 15.181 16.342 -10.296 388 HB2 PRO 50 HB2 PRO 50 17.900 16.599 -10.743 389 HB3 PRO 50 HB1 PRO 50 16.666 16.629 -12.004 390 HG2 PRO 50 HG2 PRO 50 18.046 18.905 -10.646 391 HG3 PRO 50 HG1 PRO 50 17.612 18.721 -12.356 392 HD2 PRO 50 HD2 PRO 50 16.194 20.263 -10.708 393 HD3 PRO 50 HD1 PRO 50 15.395 19.308 -11.976 394 H LYS 51 H LYS 51 16.843 18.612 -8.234 395 HA LYS 51 HA LYS 51 18.285 16.651 -6.741 396 HB2 LYS 51 HB2 LYS 51 17.688 19.524 -6.172 397 HB3 LYS 51 HB1 LYS 51 18.638 18.466 -5.133 398 HG2 LYS 51 HG2 LYS 51 20.257 18.142 -6.904 399 HG3 LYS 51 HG1 LYS 51 19.292 19.153 -7.985 400 HD2 LYS 51 HD2 LYS 51 21.166 20.389 -6.980 401 HD3 LYS 51 HD1 LYS 51 19.588 21.049 -6.532 402 HE2 LYS 51 HE2 LYS 51 19.695 19.899 -4.384 403 HE3 LYS 51 HE1 LYS 51 21.249 19.190 -4.825 404 HZ1 LYS 51 HZ1 LYS 51 22.174 21.426 -4.882 405 HZ2 LYS 51 HZ2 LYS 51 21.496 21.080 -3.381 406 HZ3 LYS 51 HZ3 LYS 51 20.671 22.073 -4.460 407 H GLN 52 H GLN 52 15.058 17.545 -6.755 408 HA GLN 52 HA GLN 52 14.512 17.288 -3.983 409 HB2 GLN 52 HB2 GLN 52 12.731 16.855 -6.371 410 HB3 GLN 52 HB1 GLN 52 12.161 16.890 -4.712 411 HG2 GLN 52 HG2 GLN 52 12.773 19.186 -4.491 412 HG3 GLN 52 HG1 GLN 52 13.557 19.160 -6.071 413 HE21 GLN 52 HE21 GLN 52 11.445 17.580 -7.333 414 HE22 GLN 52 HE22 GLN 52 10.089 18.630 -7.477 415 H GLN 53 H GLN 53 14.939 15.163 -6.649 416 HA GLN 53 HA GLN 53 13.621 12.906 -5.502 417 HB2 GLN 53 HB2 GLN 53 15.196 13.328 -8.010 418 HB3 GLN 53 HB1 GLN 53 14.732 11.716 -7.499 419 HG2 GLN 53 HG2 GLN 53 13.199 12.623 -9.171 420 HG3 GLN 53 HG1 GLN 53 12.399 12.307 -7.636 421 HE21 GLN 53 HE21 GLN 53 13.615 14.770 -9.753 422 HE22 GLN 53 HE22 GLN 53 12.682 16.075 -9.133 423 H GLN 54 H GLN 54 16.249 14.225 -4.481 424 HA GLN 54 HA GLN 54 18.207 12.214 -4.298 425 HB2 GLN 54 HB2 GLN 54 18.997 13.441 -2.294 426 HB3 GLN 54 HB1 GLN 54 18.651 14.525 -3.629 427 HG2 GLN 54 HG2 GLN 54 16.553 15.166 -2.630 428 HG3 GLN 54 HG1 GLN 54 16.768 14.000 -1.342 429 HE21 GLN 54 HE21 GLN 54 18.271 14.419 0.275 430 HE22 GLN 54 HE22 GLN 54 18.935 15.985 0.521 431 H HIS 55 H HIS 55 15.321 12.871 -2.423 432 HA HIS 55 HA HIS 55 15.806 10.791 -0.545 433 HB2 HIS 55 HB2 HIS 55 13.437 11.261 0.219 434 HB3 HIS 55 HB1 HIS 55 14.521 12.635 0.273 435 HD1 HIS 55 HD1 HIS 55 12.519 14.316 0.215 436 HD2 HIS 55 HD2 HIS 55 12.719 11.801 -3.076 437 HE1 HIS 55 HE1 HIS 55 10.805 15.179 -1.425 438 H LEU 56 H LEU 56 14.473 10.993 -3.601 439 HA LEU 56 HA LEU 56 13.046 8.487 -3.572 440 HB2 LEU 56 HB2 LEU 56 12.291 10.209 -5.131 441 HB3 LEU 56 HB1 LEU 56 13.889 10.369 -5.800 442 HG LEU 56 HG LEU 56 12.120 9.236 -7.250 443 HD11 LEU 56 HD11 LEU 56 13.641 7.569 -8.188 444 HD12 LEU 56 HD12 LEU 56 14.662 7.693 -6.757 445 HD13 LEU 56 HD13 LEU 56 14.476 9.081 -7.829 446 HD21 LEU 56 HD21 LEU 56 12.633 6.948 -5.362 447 HD22 LEU 56 HD22 LEU 56 11.731 6.852 -6.874 448 HD23 LEU 56 HD23 LEU 56 11.117 7.831 -5.536 449 H SER 57 H SER 57 16.221 9.655 -4.558 450 HA SER 57 HA SER 57 17.190 7.278 -5.545 451 HB2 SER 57 HB2 SER 57 18.670 9.355 -3.918 452 HB3 SER 57 HB1 SER 57 19.394 8.193 -5.037 453 HG SER 57 HG SER 57 19.165 9.845 -6.314 454 H LEU 58 H LEU 58 16.801 8.356 -2.249 455 HA LEU 58 HA LEU 58 18.062 6.080 -1.067 456 HB2 LEU 58 HB2 LEU 58 15.985 7.847 0.216 457 HB3 LEU 58 HB1 LEU 58 17.196 6.852 0.985 458 HG LEU 58 HG LEU 58 17.871 9.175 -0.786 459 HD11 LEU 58 HD11 LEU 58 17.826 9.009 2.233 460 HD12 LEU 58 HD12 LEU 58 16.729 9.960 1.236 461 HD13 LEU 58 HD13 LEU 58 18.445 10.368 1.299 462 HD21 LEU 58 HD21 LEU 58 19.555 7.511 1.089 463 HD22 LEU 58 HD22 LEU 58 20.111 8.954 0.247 464 HD23 LEU 58 HD23 LEU 58 19.638 7.528 -0.674 465 H CYS 59 H CYS 59 14.633 6.958 -1.470 466 HA CYS 59 HA CYS 59 13.526 4.622 -0.397 467 HB2 CYS 59 HB2 CYS 59 12.218 6.615 -0.725 468 HB3 CYS 59 HB1 CYS 59 12.488 6.560 -2.454 469 H CYS 60 H CYS 60 14.152 5.453 -3.811 470 HA CYS 60 HA CYS 60 13.269 3.091 -5.000 471 HB2 CYS 60 HB2 CYS 60 13.634 5.120 -6.309 472 HB3 CYS 60 HB1 CYS 60 15.343 5.103 -5.924 473 H ASN 61 H ASN 61 16.245 3.935 -3.472 474 HA ASN 61 HA ASN 61 17.642 1.612 -4.499 475 HB2 ASN 61 HB2 ASN 61 18.723 3.741 -3.924 476 HB3 ASN 61 HB1 ASN 61 18.482 3.395 -2.219 477 HD21 ASN 61 HD21 ASN 61 20.278 2.578 -5.060 478 HD22 ASN 61 HD22 ASN 61 21.472 1.582 -4.312 479 H GLN 62 H GLN 62 15.680 2.362 -1.832 480 HA GLN 62 HA GLN 62 16.565 0.133 -0.275 481 HB2 GLN 62 HB2 GLN 62 15.748 2.244 0.756 482 HB3 GLN 62 HB1 GLN 62 14.159 1.937 0.094 483 HG2 GLN 62 HG2 GLN 62 14.242 1.356 2.450 484 HG3 GLN 62 HG1 GLN 62 13.982 -0.088 1.473 485 HE21 GLN 62 HE21 GLN 62 16.271 1.670 3.420 486 HE22 GLN 62 HE22 GLN 62 17.357 0.370 3.693 487 H LEU 63 H LEU 63 13.718 1.006 -2.134 488 HA LEU 63 HA LEU 63 12.293 -1.382 -1.692 489 HB2 LEU 63 HB2 LEU 63 10.738 -0.532 -3.316 490 HB3 LEU 63 HB1 LEU 63 11.350 0.830 -2.413 491 HG LEU 63 HG LEU 63 13.014 1.021 -4.396 492 HD11 LEU 63 HD11 LEU 63 10.615 -0.231 -5.674 493 HD12 LEU 63 HD12 LEU 63 12.215 -0.946 -5.524 494 HD13 LEU 63 HD13 LEU 63 11.995 0.519 -6.495 495 HD21 LEU 63 HD21 LEU 63 10.188 1.940 -4.244 496 HD22 LEU 63 HD22 LEU 63 11.349 2.540 -5.436 497 HD23 LEU 63 HD23 LEU 63 11.648 2.779 -3.705 498 H GLN 64 H GLN 64 14.635 -0.436 -4.115 499 HA GLN 64 HA GLN 64 14.106 -2.486 -5.992 500 HB2 GLN 64 HB2 GLN 64 16.110 -1.777 -7.099 501 HB3 GLN 64 HB1 GLN 64 15.331 -0.353 -6.397 502 HG2 GLN 64 HG2 GLN 64 16.801 -0.321 -4.586 503 HG3 GLN 64 HG1 GLN 64 17.571 -1.826 -5.079 504 HE21 GLN 64 HE21 GLN 64 19.530 -1.002 -5.251 505 HE22 GLN 64 HE22 GLN 64 20.026 0.145 -6.459 506 H GLU 65 H GLU 65 15.604 -2.635 -2.967 507 HA GLU 65 HA GLU 65 17.276 -4.891 -3.696 508 HB2 GLU 65 HB2 GLU 65 16.807 -3.610 -1.004 509 HB3 GLU 65 HB1 GLU 65 17.992 -4.862 -1.342 510 HG2 GLU 65 HG2 GLU 65 17.975 -2.049 -2.434 511 HG3 GLU 65 HG1 GLU 65 19.063 -2.693 -1.214 512 H VAL 66 H VAL 66 14.162 -4.266 -2.769 513 HA VAL 66 HA VAL 66 13.508 -6.803 -1.517 514 HB VAL 66 HB VAL 66 11.633 -4.789 -2.814 515 HG11 VAL 66 HG11 VAL 66 9.954 -5.613 -1.253 516 HG12 VAL 66 HG12 VAL 66 11.117 -6.764 -0.597 517 HG13 VAL 66 HG13 VAL 66 10.576 -6.912 -2.270 518 HG21 VAL 66 HG21 VAL 66 13.000 -3.593 -1.254 519 HG22 VAL 66 HG22 VAL 66 12.659 -4.774 0.016 520 HG23 VAL 66 HG23 VAL 66 11.367 -3.748 -0.619 521 H GLU 67 H GLU 67 11.991 -8.334 -2.661 522 HA GLU 67 HA GLU 67 12.702 -9.310 -5.112 523 HB2 GLU 67 HB2 GLU 67 10.086 -9.286 -3.691 524 HB3 GLU 67 HB1 GLU 67 10.203 -10.057 -5.265 525 HG2 GLU 67 HG2 GLU 67 11.869 -11.547 -4.421 526 HG3 GLU 67 HG1 GLU 67 11.852 -10.748 -2.844 527 H LYS 68 H LYS 68 12.262 -8.915 -7.199 528 HA LYS 68 HA LYS 68 11.849 -6.262 -7.958 529 HB2 LYS 68 HB2 LYS 68 11.883 -7.065 -10.276 530 HB3 LYS 68 HB1 LYS 68 13.210 -7.685 -9.313 531 HG2 LYS 68 HG2 LYS 68 11.936 -9.802 -9.072 532 HG3 LYS 68 HG1 LYS 68 10.745 -9.158 -10.209 533 HD2 LYS 68 HD2 LYS 68 12.243 -10.489 -11.492 534 HD3 LYS 68 HD1 LYS 68 12.652 -8.789 -11.779 535 HE2 LYS 68 HE2 LYS 68 14.517 -8.928 -10.226 536 HE3 LYS 68 HE1 LYS 68 14.087 -10.589 -9.833 537 HZ1 LYS 68 HZ1 LYS 68 14.584 -11.218 -12.102 538 HZ2 LYS 68 HZ2 LYS 68 15.921 -10.478 -11.393 539 HZ3 LYS 68 HZ3 LYS 68 14.959 -9.625 -12.497 540 H GLN 69 H GLN 69 9.622 -8.867 -7.822 541 HA GLN 69 HA GLN 69 7.492 -7.539 -9.208 542 HB2 GLN 69 HB2 GLN 69 6.116 -9.411 -8.273 543 HB3 GLN 69 HB1 GLN 69 7.526 -9.930 -9.190 544 HG2 GLN 69 HG2 GLN 69 8.743 -10.280 -7.088 545 HG3 GLN 69 HG1 GLN 69 7.307 -9.802 -6.196 546 HE21 GLN 69 HE21 GLN 69 8.838 -12.273 -6.264 547 HE22 GLN 69 HE22 GLN 69 7.697 -13.514 -6.618 548 H CYS 70 H CYS 70 8.759 -7.406 -6.084 549 HA CYS 70 HA CYS 70 6.287 -6.463 -4.867 550 HB2 CYS 70 HB2 CYS 70 8.900 -7.282 -3.653 551 HB3 CYS 70 HB1 CYS 70 7.450 -6.899 -2.740 552 H GLN 71 H GLN 71 9.156 -5.360 -6.243 553 HA GLN 71 HA GLN 71 9.872 -3.153 -4.656 554 HB2 GLN 71 HB2 GLN 71 10.050 -3.607 -7.617 555 HB3 GLN 71 HB1 GLN 71 10.781 -2.212 -6.810 556 HG2 GLN 71 HG2 GLN 71 12.182 -3.689 -5.531 557 HG3 GLN 71 HG1 GLN 71 11.451 -5.110 -6.279 558 HE21 GLN 71 HE21 GLN 71 12.346 -2.114 -7.913 559 HE22 GLN 71 HE22 GLN 71 13.565 -2.799 -8.913 560 H CYS 72 H CYS 72 7.487 -3.386 -7.254 561 HA CYS 72 HA CYS 72 6.784 -0.639 -6.889 562 HB2 CYS 72 HB2 CYS 72 4.861 -1.223 -8.425 563 HB3 CYS 72 HB1 CYS 72 6.502 -1.358 -9.050 564 H GLU 73 H GLU 73 5.847 -3.595 -5.587 565 HA GLU 73 HA GLU 73 3.328 -2.780 -4.693 566 HB2 GLU 73 HB2 GLU 73 5.116 -4.963 -3.690 567 HB3 GLU 73 HB1 GLU 73 3.449 -4.780 -3.193 568 HG2 GLU 73 HG2 GLU 73 4.420 -5.297 -6.000 569 HG3 GLU 73 HG1 GLU 73 3.608 -6.446 -4.959 570 H ALA 74 H ALA 74 6.591 -2.619 -3.383 571 HA ALA 74 HA ALA 74 6.031 -1.888 -0.797 572 HB1 ALA 74 HB1 ALA 74 8.347 -1.003 -2.537 573 HB2 ALA 74 HB2 ALA 74 8.253 -2.518 -1.650 574 HB3 ALA 74 HB3 ALA 74 8.304 -0.999 -0.770 575 H ILE 75 H ILE 75 5.858 -0.154 -3.798 576 HA ILE 75 HA ILE 75 5.918 2.514 -2.812 577 HB ILE 75 HB ILE 75 4.488 1.568 -5.292 578 HG12 ILE 75 HG12 ILE 75 6.712 0.680 -5.415 579 HG13 ILE 75 HG11 ILE 75 6.593 2.048 -6.518 580 HG21 ILE 75 HG21 ILE 75 4.026 3.847 -4.636 581 HG22 ILE 75 HG22 ILE 75 4.975 3.813 -6.119 582 HG23 ILE 75 HG23 ILE 75 5.751 4.204 -4.585 583 HD11 ILE 75 HD11 ILE 75 7.921 1.910 -3.849 584 HD12 ILE 75 HD12 ILE 75 7.700 3.415 -4.765 585 HD13 ILE 75 HD13 ILE 75 8.665 2.086 -5.444 586 H LYS 76 H LYS 76 3.472 0.078 -3.282 587 HA LYS 76 HA LYS 76 1.175 1.738 -3.237 588 HB2 LYS 76 HB2 LYS 76 1.394 -1.134 -2.297 589 HB3 LYS 76 HB1 LYS 76 -0.047 -0.320 -2.875 590 HG2 LYS 76 HG2 LYS 76 2.365 -0.980 -4.546 591 HG3 LYS 76 HG1 LYS 76 0.865 -1.910 -4.510 592 HD2 LYS 76 HD2 LYS 76 -0.339 0.051 -5.344 593 HD3 LYS 76 HD1 LYS 76 1.170 0.963 -5.361 594 HE2 LYS 76 HE2 LYS 76 0.586 0.116 -7.595 595 HE3 LYS 76 HE1 LYS 76 2.111 -0.535 -7.010 596 HZ1 LYS 76 HZ1 LYS 76 -0.450 -2.031 -6.767 597 HZ2 LYS 76 HZ2 LYS 76 1.136 -2.650 -6.647 598 HZ3 LYS 76 HZ3 LYS 76 0.546 -2.117 -8.115 599 H GLN 77 H GLN 77 3.019 -0.087 -0.983 600 HA GLN 77 HA GLN 77 1.477 0.269 1.331 601 HB2 GLN 77 HB2 GLN 77 4.447 0.043 1.429 602 HB3 GLN 77 HB1 GLN 77 3.255 -0.570 2.558 603 HG2 GLN 77 HG2 GLN 77 2.573 -2.099 0.493 604 HG3 GLN 77 HG1 GLN 77 4.154 -1.640 -0.038 605 HE21 GLN 77 HE21 GLN 77 5.263 -1.363 2.604 606 HE22 GLN 77 HE22 GLN 77 5.486 -2.983 3.184 607 H VAL 78 H VAL 78 4.220 2.084 -0.009 608 HA VAL 78 HA VAL 78 4.704 3.915 2.025 609 HB VAL 78 HB VAL 78 4.627 4.747 -0.885 610 HG11 VAL 78 HG11 VAL 78 6.235 5.735 1.420 611 HG12 VAL 78 HG12 VAL 78 4.856 6.542 0.686 612 HG13 VAL 78 HG13 VAL 78 6.355 6.327 -0.240 613 HG21 VAL 78 HG21 VAL 78 6.958 3.509 0.551 614 HG22 VAL 78 HG22 VAL 78 6.942 4.105 -1.107 615 HG23 VAL 78 HG23 VAL 78 5.975 2.696 -0.660 616 H VAL 79 H VAL 79 2.340 4.003 -0.583 617 HA VAL 79 HA VAL 79 1.439 6.640 -0.016 618 HB VAL 79 HB VAL 79 -0.027 4.432 -1.414 619 HG11 VAL 79 HG11 VAL 79 -0.284 7.421 -1.648 620 HG12 VAL 79 HG12 VAL 79 -1.415 6.330 -0.853 621 HG13 VAL 79 HG13 VAL 79 -1.182 6.237 -2.604 622 HG21 VAL 79 HG21 VAL 79 1.942 6.392 -2.581 623 HG22 VAL 79 HG22 VAL 79 0.891 5.331 -3.527 624 HG23 VAL 79 HG23 VAL 79 2.112 4.637 -2.460 625 H GLU 80 H GLU 80 0.326 3.414 0.649 626 HA GLU 80 HA GLU 80 -2.097 3.907 1.899 627 HB2 GLU 80 HB2 GLU 80 -1.199 1.726 1.102 628 HB3 GLU 80 HB1 GLU 80 -0.104 1.719 2.470 629 HG2 GLU 80 HG2 GLU 80 -2.104 1.755 3.955 630 HG3 GLU 80 HG1 GLU 80 -3.097 1.524 2.515 631 H GLN 81 H GLN 81 1.145 3.473 3.334 632 HA GLN 81 HA GLN 81 0.206 3.958 5.989 633 HB2 GLN 81 HB2 GLN 81 2.550 3.787 6.668 634 HB3 GLN 81 HB1 GLN 81 2.114 2.469 5.601 635 HG2 GLN 81 HG2 GLN 81 3.185 3.744 3.734 636 HG3 GLN 81 HG1 GLN 81 3.761 4.893 4.939 637 HE21 GLN 81 HE21 GLN 81 5.272 4.194 6.453 638 HE22 GLN 81 HE22 GLN 81 6.261 2.787 6.179 639 H ALA 82 H ALA 82 1.609 5.967 3.500 640 HA ALA 82 HA ALA 82 2.169 8.164 5.208 641 HB1 ALA 82 HB1 ALA 82 3.296 7.878 3.049 642 HB2 ALA 82 HB2 ALA 82 2.484 9.442 3.151 643 HB3 ALA 82 HB3 ALA 82 1.762 8.132 2.220 644 H GLN 83 H GLN 83 -0.585 7.241 3.242 645 HA GLN 83 HA GLN 83 -1.870 9.752 3.711 646 HB2 GLN 83 HB2 GLN 83 -3.844 8.851 2.597 647 HB3 GLN 83 HB1 GLN 83 -2.406 8.516 1.654 648 HG2 GLN 83 HG2 GLN 83 -2.428 6.209 2.442 649 HG3 GLN 83 HG1 GLN 83 -3.856 6.553 3.417 650 HE21 GLN 83 HE21 GLN 83 -5.837 6.853 2.391 651 HE22 GLN 83 HE22 GLN 83 -6.099 6.396 0.755 652 H LYS 84 H LYS 84 -1.912 6.604 5.200 653 HA LYS 84 HA LYS 84 -4.183 7.216 6.786 654 HB2 LYS 84 HB2 LYS 84 -3.772 5.134 7.968 655 HB3 LYS 84 HB1 LYS 84 -3.618 4.888 6.244 656 HG2 LYS 84 HG2 LYS 84 -1.835 3.629 7.050 657 HG3 LYS 84 HG1 LYS 84 -1.090 5.205 6.736 658 HD2 LYS 84 HD2 LYS 84 -1.055 5.805 8.902 659 HD3 LYS 84 HD1 LYS 84 -2.145 4.506 9.436 660 HE2 LYS 84 HE2 LYS 84 -0.372 2.894 8.733 661 HE3 LYS 84 HE1 LYS 84 0.693 4.265 8.422 662 HZ1 LYS 84 HZ1 LYS 84 1.066 3.246 10.587 663 HZ2 LYS 84 HZ2 LYS 84 -0.512 3.576 11.047 664 HZ3 LYS 84 HZ3 LYS 84 0.565 4.844 10.768 665 H GLN 85 H GLN 85 -0.767 7.715 7.157 666 HA GLN 85 HA GLN 85 -0.923 8.146 9.956 667 HB2 GLN 85 HB2 GLN 85 1.396 8.809 9.874 668 HB3 GLN 85 HB1 GLN 85 1.097 7.517 8.698 669 HG2 GLN 85 HG2 GLN 85 1.328 8.884 6.885 670 HG3 GLN 85 HG1 GLN 85 1.072 10.346 7.822 671 HE21 GLN 85 HE21 GLN 85 3.174 7.857 8.973 672 HE22 GLN 85 HE22 GLN 85 4.645 8.713 8.721 673 H LEU 86 H LEU 86 -1.188 10.219 7.157 674 HA LEU 86 HA LEU 86 -1.430 12.554 8.762 675 HB2 LEU 86 HB2 LEU 86 -1.531 11.927 5.877 676 HB3 LEU 86 HB1 LEU 86 -2.445 13.337 6.337 677 HG LEU 86 HG LEU 86 -0.254 13.941 5.575 678 HD11 LEU 86 HD11 LEU 86 -1.396 15.226 7.368 679 HD12 LEU 86 HD12 LEU 86 0.363 15.370 7.378 680 HD13 LEU 86 HD13 LEU 86 -0.450 14.312 8.539 681 HD21 LEU 86 HD21 LEU 86 0.993 11.944 6.177 682 HD22 LEU 86 HD22 LEU 86 0.747 12.316 7.888 683 HD23 LEU 86 HD23 LEU 86 1.735 13.379 6.899 684 H GLN 87 H GLN 87 -3.629 10.291 7.284 685 HA GLN 87 HA GLN 87 -6.093 11.549 7.596 686 HB2 GLN 87 HB2 GLN 87 -5.635 9.398 6.403 687 HB3 GLN 87 HB1 GLN 87 -5.485 8.620 7.968 688 HG2 GLN 87 HG2 GLN 87 -7.835 9.236 8.450 689 HG3 GLN 87 HG1 GLN 87 -7.960 9.896 6.822 690 HE21 GLN 87 HE21 GLN 87 -6.230 6.948 7.750 691 HE22 GLN 87 HE22 GLN 87 -7.235 5.884 6.860 692 H GLN 88 H GLN 88 -4.208 9.621 9.848 693 HA GLN 88 HA GLN 88 -6.248 9.627 11.885 694 HB2 GLN 88 HB2 GLN 88 -4.642 8.398 13.250 695 HB3 GLN 88 HB1 GLN 88 -4.703 7.723 11.627 696 HG2 GLN 88 HG2 GLN 88 -2.656 8.950 11.060 697 HG3 GLN 88 HG1 GLN 88 -2.585 9.558 12.707 698 HE21 GLN 88 HE21 GLN 88 -0.609 8.633 13.056 699 HE22 GLN 88 HE22 GLN 88 -0.400 6.937 13.288 700 H GLY 89 H GLY 89 -3.913 11.793 10.890 701 HA2 GLY 89 HA2 GLY 89 -3.481 12.890 13.553 702 HA3 GLY 89 HA1 GLY 89 -2.568 13.292 12.114 703 H GLN 90 H GLN 90 -3.138 15.027 10.981 704 HA GLN 90 HA GLN 90 -5.348 16.642 12.086 705 HB2 GLN 90 HB2 GLN 90 -4.201 18.560 11.172 706 HB3 GLN 90 HB1 GLN 90 -3.088 17.601 12.147 707 HG2 GLN 90 HG2 GLN 90 -2.206 16.611 10.047 708 HG3 GLN 90 HG1 GLN 90 -3.253 17.697 9.149 709 HE21 GLN 90 HE21 GLN 90 -0.378 17.454 9.186 710 HE22 GLN 90 HE22 GLN 90 0.231 19.009 9.593 711 H GLY 91 H GLY 91 -4.468 14.891 9.356 712 HA2 GLY 91 HA2 GLY 91 -6.316 14.677 7.670 713 HA3 GLY 91 HA1 GLY 91 -6.252 16.445 7.615 714 H GLY 92 H GLY 92 -4.614 17.467 6.479 715 HA2 GLY 92 HA2 GLY 92 -2.699 17.736 5.352 716 HA3 GLY 92 HA1 GLY 92 -2.114 16.199 5.913 717 H GLN 93 H GLN 93 -4.288 14.696 4.696 718 HA GLN 93 HA GLN 93 -3.151 13.972 2.297 719 HB2 GLN 93 HB2 GLN 93 -5.995 13.729 3.196 720 HB3 GLN 93 HB1 GLN 93 -5.396 12.963 1.729 721 HG2 GLN 93 HG2 GLN 93 -3.814 11.668 3.050 722 HG3 GLN 93 HG1 GLN 93 -4.366 12.477 4.518 723 HE21 GLN 93 HE21 GLN 93 -5.209 10.252 2.008 724 HE22 GLN 93 HE22 GLN 93 -6.553 9.518 2.795 725 H GLN 94 H GLN 94 -5.383 16.556 2.805 726 HA GLN 94 HA GLN 94 -6.018 17.085 0.104 727 HB2 GLN 94 HB2 GLN 94 -6.643 19.330 0.920 728 HB3 GLN 94 HB1 GLN 94 -7.305 18.050 1.929 729 HG2 GLN 94 HG2 GLN 94 -5.476 18.375 3.521 730 HG3 GLN 94 HG1 GLN 94 -4.842 19.640 2.507 731 HE21 GLN 94 HE21 GLN 94 -7.427 20.825 1.872 732 HE22 GLN 94 HE22 GLN 94 -7.985 21.559 3.328 733 H GLN 95 H GLN 95 -3.414 18.227 2.217 734 HA GLN 95 HA GLN 95 -2.343 19.949 0.170 735 HB2 GLN 95 HB2 GLN 95 -0.758 20.700 1.840 736 HB3 GLN 95 HB1 GLN 95 -2.420 20.755 2.501 737 HG2 GLN 95 HG2 GLN 95 -1.977 18.814 3.724 738 HG3 GLN 95 HG1 GLN 95 -0.358 18.667 3.046 739 HE21 GLN 95 HE21 GLN 95 1.207 20.188 3.610 740 HE22 GLN 95 HE22 GLN 95 1.109 21.130 5.034 741 H VAL 96 H VAL 96 -1.452 17.171 1.969 742 HA VAL 96 HA VAL 96 1.092 16.631 0.877 743 HB VAL 96 HB VAL 96 -0.884 14.702 2.160 744 HG11 VAL 96 HG11 VAL 96 1.055 13.332 2.690 745 HG12 VAL 96 HG12 VAL 96 2.055 14.364 1.647 746 HG13 VAL 96 HG13 VAL 96 0.735 13.416 0.957 747 HG21 VAL 96 HG21 VAL 96 0.432 15.028 4.179 748 HG22 VAL 96 HG22 VAL 96 -0.306 16.524 3.622 749 HG23 VAL 96 HG23 VAL 96 1.418 16.236 3.349 750 H GLN 97 H GLN 97 -2.046 16.118 -0.426 751 HA GLN 97 HA GLN 97 -1.775 13.888 -2.039 752 HB2 GLN 97 HB2 GLN 97 -3.863 15.175 -1.871 753 HB3 GLN 97 HB1 GLN 97 -3.122 16.440 -2.851 754 HG2 GLN 97 HG2 GLN 97 -2.960 14.952 -4.740 755 HG3 GLN 97 HG1 GLN 97 -3.579 13.616 -3.778 756 HE21 GLN 97 HE21 GLN 97 -5.264 13.290 -5.162 757 HE22 GLN 97 HE22 GLN 97 -6.625 14.344 -5.245 758 H GLN 98 H GLN 98 -0.701 17.149 -2.884 759 HA GLN 98 HA GLN 98 0.195 16.655 -5.497 760 HB2 GLN 98 HB2 GLN 98 1.571 18.676 -5.208 761 HB3 GLN 98 HB1 GLN 98 -0.082 18.915 -4.656 762 HG2 GLN 98 HG2 GLN 98 0.638 18.574 -2.353 763 HG3 GLN 98 HG1 GLN 98 2.286 18.324 -2.906 764 HE21 GLN 98 HE21 GLN 98 1.112 20.231 -1.108 765 HE22 GLN 98 HE22 GLN 98 1.579 21.796 -1.670 766 H MET 99 H MET 99 1.608 15.709 -2.495 767 HA MET 99 HA MET 99 4.265 15.380 -3.731 768 HB2 MET 99 HB2 MET 99 3.555 16.366 -1.268 769 HB3 MET 99 HB1 MET 99 3.868 14.695 -0.915 770 HG2 MET 99 HG2 MET 99 5.827 15.998 -0.557 771 HG3 MET 99 HG1 MET 99 6.058 14.780 -1.822 772 HE1 MET 99 HE1 MET 99 8.316 16.070 -2.506 773 HE2 MET 99 HE2 MET 99 8.017 17.307 -1.283 774 HE3 MET 99 HE3 MET 99 8.373 17.777 -2.943 775 H VAL 100 H VAL 100 1.814 13.674 -1.918 776 HA VAL 100 HA VAL 100 3.135 11.203 -2.137 777 HB VAL 100 HB VAL 100 1.455 11.483 -0.402 778 HG11 VAL 100 HG11 VAL 100 -0.035 12.944 -1.521 779 HG12 VAL 100 HG12 VAL 100 -0.928 11.549 -0.892 780 HG13 VAL 100 HG13 VAL 100 -0.553 11.665 -2.622 781 HG21 VAL 100 HG21 VAL 100 1.856 9.218 -1.125 782 HG22 VAL 100 HG22 VAL 100 0.659 9.415 -2.403 783 HG23 VAL 100 HG23 VAL 100 0.142 9.415 -0.708 784 H LYS 101 H LYS 101 1.149 12.896 -4.408 785 HA LYS 101 HA LYS 101 0.544 10.704 -6.050 786 HB2 LYS 101 HB2 LYS 101 -0.059 12.263 -7.760 787 HB3 LYS 101 HB1 LYS 101 -0.493 12.973 -6.212 788 HG2 LYS 101 HG2 LYS 101 0.366 14.789 -7.327 789 HG3 LYS 101 HG1 LYS 101 1.771 14.182 -6.442 790 HD2 LYS 101 HD2 LYS 101 2.616 13.070 -8.427 791 HD3 LYS 101 HD1 LYS 101 1.158 13.482 -9.323 792 HE2 LYS 101 HE2 LYS 101 1.737 15.858 -9.157 793 HE3 LYS 101 HE1 LYS 101 3.193 15.436 -8.256 794 HZ1 LYS 101 HZ1 LYS 101 4.048 14.284 -10.180 795 HZ2 LYS 101 HZ2 LYS 101 3.604 15.837 -10.654 796 HZ3 LYS 101 HZ3 LYS 101 2.623 14.531 -11.033 797 H LYS 102 H LYS 102 3.522 12.416 -5.547 798 HA LYS 102 HA LYS 102 4.896 11.682 -7.881 799 HB2 LYS 102 HB2 LYS 102 5.874 12.115 -5.065 800 HB3 LYS 102 HB1 LYS 102 6.922 11.923 -6.461 801 HG2 LYS 102 HG2 LYS 102 6.269 13.979 -7.375 802 HG3 LYS 102 HG1 LYS 102 4.840 14.081 -6.340 803 HD2 LYS 102 HD2 LYS 102 6.574 15.601 -5.565 804 HD3 LYS 102 HD1 LYS 102 6.273 14.338 -4.382 805 HE2 LYS 102 HE2 LYS 102 8.564 14.634 -4.467 806 HE3 LYS 102 HE1 LYS 102 8.267 13.131 -5.308 807 HZ1 LYS 102 HZ1 LYS 102 9.878 14.488 -6.576 808 HZ2 LYS 102 HZ2 LYS 102 8.780 15.758 -6.632 809 HZ3 LYS 102 HZ3 LYS 102 8.443 14.328 -7.432 810 H ALA 103 H ALA 103 4.032 9.963 -4.984 811 HA ALA 103 HA ALA 103 5.799 7.756 -5.261 812 HB1 ALA 103 HB1 ALA 103 4.284 6.536 -3.785 813 HB2 ALA 103 HB2 ALA 103 3.055 7.782 -4.008 814 HB3 ALA 103 HB3 ALA 103 4.562 8.169 -3.180 815 H GLN 104 H GLN 104 2.807 8.587 -6.783 816 HA GLN 104 HA GLN 104 2.271 5.991 -7.868 817 HB2 GLN 104 HB2 GLN 104 1.330 8.703 -8.800 818 HB3 GLN 104 HB1 GLN 104 0.643 7.159 -9.272 819 HG2 GLN 104 HG2 GLN 104 -0.072 6.785 -6.931 820 HG3 GLN 104 HG1 GLN 104 0.632 8.338 -6.503 821 HE21 GLN 104 HE21 GLN 104 -1.382 9.127 -5.824 822 HE22 GLN 104 HE22 GLN 104 -2.584 9.592 -6.961 823 H MET 105 H MET 105 4.416 8.502 -8.572 824 HA MET 105 HA MET 105 4.802 7.810 -11.383 825 HB2 MET 105 HB2 MET 105 6.390 9.682 -9.701 826 HB3 MET 105 HB1 MET 105 6.294 9.652 -11.444 827 HG2 MET 105 HG2 MET 105 3.968 10.328 -11.394 828 HG3 MET 105 HG1 MET 105 3.986 10.352 -9.649 829 HE1 MET 105 HE1 MET 105 6.484 13.334 -12.170 830 HE2 MET 105 HE2 MET 105 5.540 12.012 -12.866 831 HE3 MET 105 HE3 MET 105 6.973 11.664 -11.901 832 H LEU 106 H LEU 106 5.982 7.125 -8.282 833 HA LEU 106 HA LEU 106 8.672 6.638 -8.667 834 HB2 LEU 106 HB2 LEU 106 6.718 5.891 -6.639 835 HB3 LEU 106 HB1 LEU 106 8.013 4.728 -6.807 836 HG LEU 106 HG LEU 106 9.665 6.397 -6.283 837 HD11 LEU 106 HD11 LEU 106 9.045 8.681 -5.615 838 HD12 LEU 106 HD12 LEU 106 7.401 8.389 -6.186 839 HD13 LEU 106 HD13 LEU 106 8.748 8.357 -7.315 840 HD21 LEU 106 HD21 LEU 106 7.352 6.455 -4.362 841 HD22 LEU 106 HD22 LEU 106 9.002 6.945 -3.988 842 HD23 LEU 106 HD23 LEU 106 8.660 5.272 -4.416 843 HA PRO 107 HA PRO 107 7.755 2.074 -9.949 844 HB2 PRO 107 HB2 PRO 107 5.467 1.869 -11.481 845 HB3 PRO 107 HB1 PRO 107 5.621 1.279 -9.820 846 HG2 PRO 107 HG2 PRO 107 4.394 3.787 -10.851 847 HG3 PRO 107 HG1 PRO 107 3.900 2.768 -9.486 848 HD2 PRO 107 HD2 PRO 107 5.163 5.099 -9.144 849 HD3 PRO 107 HD1 PRO 107 5.437 3.733 -8.056 850 H ASN 108 H ASN 108 6.995 5.039 -11.750 851 HA ASN 108 HA ASN 108 7.909 3.801 -14.150 852 HB2 ASN 108 HB2 ASN 108 6.952 6.543 -13.420 853 HB3 ASN 108 HB1 ASN 108 7.524 6.086 -15.011 854 HD21 ASN 108 HD21 ASN 108 4.942 7.071 -14.296 855 HD22 ASN 108 HD22 ASN 108 3.796 5.874 -14.743 856 H GLN 109 H GLN 109 8.810 6.253 -11.812 857 HA GLN 109 HA GLN 109 11.171 7.097 -13.149 858 HB2 GLN 109 HB2 GLN 109 10.459 7.403 -10.234 859 HB3 GLN 109 HB1 GLN 109 11.729 8.276 -11.069 860 HG2 GLN 109 HG2 GLN 109 9.992 9.277 -12.542 861 HG3 GLN 109 HG1 GLN 109 8.766 8.466 -11.574 862 HE21 GLN 109 HE21 GLN 109 11.708 9.987 -10.340 863 HE22 GLN 109 HE22 GLN 109 10.878 11.224 -9.462 864 H CYS 110 H CYS 110 10.599 4.738 -10.590 865 HA CYS 110 HA CYS 110 13.444 4.194 -10.312 866 HB2 CYS 110 HB2 CYS 110 11.682 4.189 -8.414 867 HB3 CYS 110 HB1 CYS 110 11.120 2.713 -9.104 868 H ASN 111 H ASN 111 11.038 3.399 -12.394 869 HA ASN 111 HA ASN 111 10.586 1.877 -13.923 870 HB2 ASN 111 HB2 ASN 111 12.911 2.513 -14.672 871 HB3 ASN 111 HB1 ASN 111 13.515 1.107 -13.806 872 HD21 ASN 111 HD21 ASN 111 13.220 -0.922 -14.702 873 HD22 ASN 111 HD22 ASN 111 12.622 -1.177 -16.293 874 H LEU 112 H LEU 112 9.525 1.088 -12.099 875 HA LEU 112 HA LEU 112 10.330 -1.564 -11.188 876 HB2 LEU 112 HB2 LEU 112 7.922 0.062 -10.373 877 HB3 LEU 112 HB1 LEU 112 8.580 -1.347 -9.556 878 HG LEU 112 HG LEU 112 9.913 1.329 -9.816 879 HD11 LEU 112 HD11 LEU 112 8.190 1.439 -8.118 880 HD12 LEU 112 HD12 LEU 112 9.772 1.388 -7.346 881 HD13 LEU 112 HD13 LEU 112 8.789 -0.053 -7.387 882 HD21 LEU 112 HD21 LEU 112 10.899 -1.185 -8.511 883 HD22 LEU 112 HD22 LEU 112 11.682 0.403 -8.419 884 HD23 LEU 112 HD23 LEU 112 11.540 -0.420 -9.963 885 H GLN 113 H GLN 113 8.731 -3.332 -11.259 886 HA GLN 113 HA GLN 113 7.711 -3.706 -13.902 887 HB2 GLN 113 HB2 GLN 113 7.208 -5.405 -11.467 888 HB3 GLN 113 HB1 GLN 113 7.070 -5.903 -13.145 889 HG2 GLN 113 HG2 GLN 113 9.492 -5.464 -13.399 890 HG3 GLN 113 HG1 GLN 113 9.537 -5.146 -11.661 891 HE21 GLN 113 HE21 GLN 113 10.872 -7.222 -13.208 892 HE22 GLN 113 HE22 GLN 113 10.360 -8.735 -12.533 893 H CYS 114 H CYS 114 6.400 -1.564 -12.806 894 HA CYS 114 HA CYS 114 3.624 -2.271 -12.944 895 HB2 CYS 114 HB2 CYS 114 5.068 -1.323 -10.572 896 HB3 CYS 114 HB1 CYS 114 3.321 -0.959 -10.694 897 H SER 115 H SER 115 2.423 -0.266 -13.319 898 HA SER 115 HA SER 115 3.880 2.205 -13.306 899 HB2 SER 115 HB2 SER 115 3.114 2.618 -15.718 900 HB3 SER 115 HB1 SER 115 4.470 1.513 -15.506 901 HG SER 115 HG SER 115 2.978 -0.219 -15.680 902 H ILE 116 H ILE 116 2.492 3.883 -12.846 903 HA ILE 116 HA ILE 116 -0.290 3.072 -12.480 904 HB ILE 116 HB ILE 116 1.086 5.558 -11.400 905 HG12 ILE 116 HG12 ILE 116 2.092 3.571 -10.391 906 HG13 ILE 116 HG11 ILE 116 1.124 4.433 -9.207 907 HG21 ILE 116 HG21 ILE 116 -0.867 5.725 -9.903 908 HG22 ILE 116 HG22 ILE 116 -1.589 4.337 -10.715 909 HG23 ILE 116 HG23 ILE 116 -1.316 5.834 -11.606 910 HD11 ILE 116 HD11 ILE 116 0.344 1.919 -10.668 911 HD12 ILE 116 HD12 ILE 116 -0.658 2.776 -9.491 912 HD13 ILE 116 HD13 ILE 116 0.873 2.048 -8.990 Start of MODEL 3 1 H1 GLY 1 H GLY 1 2.247 -14.719 -0.867 2 H2 GLY 1 HT1 GLY 1 0.894 -13.587 -0.651 3 H3 GLY 1 HT2 GLY 1 1.854 -14.916 -1.037 4 HA2 GLY 1 HA1 GLY 1 0.648 -14.427 1.608 5 HA3 GLY 1 HA2 GLY 1 0.105 -15.611 0.421 6 H ARG 2 H ARG 2 0.526 -17.068 2.332 7 HA ARG 2 HA ARG 2 3.359 -17.643 2.832 8 HB2 ARG 2 HB2 ARG 2 0.837 -18.961 3.836 9 HB3 ARG 2 HB1 ARG 2 2.458 -19.476 4.256 10 HG2 ARG 2 HG2 ARG 2 1.289 -16.786 4.885 11 HG3 ARG 2 HG1 ARG 2 1.365 -18.148 6.013 12 HD2 ARG 2 HD2 ARG 2 3.876 -18.097 5.624 13 HD3 ARG 2 HD1 ARG 2 3.598 -16.557 4.811 14 HE ARG 2 HE ARG 2 2.475 -16.775 7.443 15 HH11 ARG 2 HH11 ARG 2 5.261 -15.660 5.547 16 HH12 ARG 2 HH12 ARG 2 5.894 -14.706 6.818 17 HH21 ARG 2 HH21 ARG 2 3.394 -15.431 9.167 18 HH22 ARG 2 HH22 ARG 2 4.815 -14.558 8.858 19 H CYS 3 H CYS 3 4.437 -19.357 2.161 20 HA CYS 3 HA CYS 3 3.037 -21.128 0.303 21 HB2 CYS 3 HB2 CYS 3 5.898 -20.191 0.056 22 HB3 CYS 3 HB1 CYS 3 5.060 -21.291 -1.009 23 H THR 4 H THR 4 3.689 -23.256 0.334 24 HA THR 4 HA THR 4 4.833 -24.133 2.829 25 HB THR 4 HB THR 4 4.227 -26.387 1.986 26 HG1 THR 4 HG1 THR 4 3.354 -26.615 0.013 27 HG21 THR 4 HG21 THR 4 2.039 -24.332 1.618 28 HG22 THR 4 HG22 THR 4 2.508 -25.054 3.162 29 HG23 THR 4 HG23 THR 4 1.788 -26.052 1.892 30 H LYS 5 H LYS 5 6.650 -25.656 2.878 31 HA LYS 5 HA LYS 5 8.573 -25.141 0.782 32 HB2 LYS 5 HB2 LYS 5 8.935 -26.607 3.410 33 HB3 LYS 5 HB1 LYS 5 10.214 -26.160 2.290 34 HG2 LYS 5 HG2 LYS 5 8.494 -24.314 3.924 35 HG3 LYS 5 HG1 LYS 5 10.230 -24.599 4.097 36 HD2 LYS 5 HD2 LYS 5 10.568 -23.708 1.837 37 HD3 LYS 5 HD1 LYS 5 8.845 -23.400 1.726 38 HE2 LYS 5 HE2 LYS 5 8.975 -21.869 3.622 39 HE3 LYS 5 HE1 LYS 5 10.718 -22.128 3.703 40 HZ1 LYS 5 HZ1 LYS 5 9.265 -21.000 1.369 41 HZ2 LYS 5 HZ2 LYS 5 10.919 -21.237 1.472 42 HZ3 LYS 5 HZ3 LYS 5 10.182 -20.112 2.479 43 H SER 6 H SER 6 7.343 -26.327 -0.731 44 HA SER 6 HA SER 6 8.233 -29.070 -0.832 45 HB2 SER 6 HB2 SER 6 5.992 -29.117 0.284 46 HB3 SER 6 HB1 SER 6 5.329 -28.260 -1.105 47 HG SER 6 HG SER 6 5.952 -30.898 -0.768 48 H ILE 7 H ILE 7 7.595 -29.870 -3.103 49 HA ILE 7 HA ILE 7 7.382 -27.650 -4.965 50 HB ILE 7 HB ILE 7 9.215 -30.062 -5.353 51 HG12 ILE 7 HG12 ILE 7 10.962 -28.073 -5.636 52 HG13 ILE 7 HG11 ILE 7 9.758 -27.193 -4.696 53 HG21 ILE 7 HG21 ILE 7 8.685 -27.758 -7.224 54 HG22 ILE 7 HG22 ILE 7 8.171 -29.429 -7.446 55 HG23 ILE 7 HG23 ILE 7 9.889 -29.024 -7.471 56 HD11 ILE 7 HD11 ILE 7 9.987 -28.754 -2.871 57 HD12 ILE 7 HD12 ILE 7 11.549 -28.054 -3.296 58 HD13 ILE 7 HD13 ILE 7 11.154 -29.699 -3.798 59 HA PRO 8 HA PRO 8 6.352 -26.977 -6.550 60 HB2 PRO 8 HB2 PRO 8 3.795 -26.300 -7.062 61 HB3 PRO 8 HB1 PRO 8 4.792 -27.148 -8.254 62 HG2 PRO 8 HG2 PRO 8 2.752 -28.257 -6.360 63 HG3 PRO 8 HG1 PRO 8 2.965 -28.601 -8.087 64 HD2 PRO 8 HD2 PRO 8 3.898 -30.245 -6.155 65 HD3 PRO 8 HD1 PRO 8 4.731 -30.037 -7.707 66 HA PRO 9 HA PRO 9 5.239 -25.485 -2.497 67 HB2 PRO 9 HB2 PRO 9 5.496 -22.813 -2.925 68 HB3 PRO 9 HB1 PRO 9 6.885 -23.887 -2.728 69 HG2 PRO 9 HG2 PRO 9 5.658 -22.810 -5.225 70 HG3 PRO 9 HG1 PRO 9 7.377 -22.976 -4.811 71 HD2 PRO 9 HD2 PRO 9 6.095 -24.729 -6.429 72 HD3 PRO 9 HD1 PRO 9 7.407 -25.224 -5.342 73 H ILE 10 H ILE 10 3.400 -24.886 -1.512 74 HA ILE 10 HA ILE 10 1.155 -24.169 -3.233 75 HB ILE 10 HB ILE 10 1.181 -25.054 -0.334 76 HG12 ILE 10 HG12 ILE 10 2.033 -26.829 -1.761 77 HG13 ILE 10 HG11 ILE 10 0.446 -27.266 -1.133 78 HG21 ILE 10 HG21 ILE 10 -0.798 -23.763 -0.918 79 HG22 ILE 10 HG22 ILE 10 -1.213 -25.448 -0.620 80 HG23 ILE 10 HG23 ILE 10 -1.121 -24.845 -2.275 81 HD11 ILE 10 HD11 ILE 10 0.667 -27.926 -3.443 82 HD12 ILE 10 HD12 ILE 10 1.093 -26.277 -3.903 83 HD13 ILE 10 HD13 ILE 10 -0.531 -26.636 -3.306 84 H CYS 11 H CYS 11 0.875 -22.048 -3.356 85 HA CYS 11 HA CYS 11 1.570 -20.487 -1.005 86 HB2 CYS 11 HB2 CYS 11 1.351 -19.596 -3.887 87 HB3 CYS 11 HB1 CYS 11 1.690 -18.542 -2.522 88 H PHE 12 H PHE 12 0.125 -19.629 0.089 89 HA PHE 12 HA PHE 12 -2.630 -19.874 -0.674 90 HB2 PHE 12 HB2 PHE 12 -1.222 -19.065 1.863 91 HB3 PHE 12 HB1 PHE 12 -2.974 -18.983 1.697 92 HD1 PHE 12 HD1 PHE 12 -4.258 -21.007 1.286 93 HD2 PHE 12 HD2 PHE 12 -0.111 -21.157 2.165 94 HE1 PHE 12 HE1 PHE 12 -4.481 -23.360 1.791 95 HE2 PHE 12 HE2 PHE 12 -0.307 -23.556 2.694 96 HZ PHE 12 HZ PHE 12 -2.496 -24.674 2.510 97 HA PRO 13 HA PRO 13 -3.238 -15.780 -2.054 98 HB2 PRO 13 HB2 PRO 13 -5.758 -15.214 -1.204 99 HB3 PRO 13 HB1 PRO 13 -5.416 -16.334 -2.526 100 HG2 PRO 13 HG2 PRO 13 -6.088 -16.915 0.325 101 HG3 PRO 13 HG1 PRO 13 -6.612 -17.757 -1.142 102 HD2 PRO 13 HD2 PRO 13 -4.638 -18.646 0.512 103 HD3 PRO 13 HD1 PRO 13 -4.693 -19.061 -1.198 104 H ASP 14 H ASP 14 -3.095 -16.390 1.226 105 HA ASP 14 HA ASP 14 -2.231 -13.753 1.846 106 HB2 ASP 14 HB2 ASP 14 -4.761 -13.582 1.964 107 HB3 ASP 14 HB1 ASP 14 -4.738 -14.822 3.198 108 H GLY 15 H GLY 15 -2.838 -14.438 4.779 109 HA2 GLY 15 HA2 GLY 15 -1.990 -16.866 5.609 110 HA3 GLY 15 HA1 GLY 15 -0.498 -16.067 5.125 111 H LEU 16 H LEU 16 -1.082 -13.508 5.813 112 HA LEU 16 HA LEU 16 -1.850 -13.524 8.588 113 HB2 LEU 16 HB2 LEU 16 0.118 -12.317 9.414 114 HB3 LEU 16 HB1 LEU 16 0.572 -13.883 8.797 115 HG LEU 16 HG LEU 16 1.026 -11.259 7.340 116 HD11 LEU 16 HD11 LEU 16 2.934 -12.937 8.949 117 HD12 LEU 16 HD12 LEU 16 2.308 -11.348 9.391 118 HD13 LEU 16 HD13 LEU 16 3.363 -11.521 7.988 119 HD21 LEU 16 HD21 LEU 16 0.906 -13.209 5.855 120 HD22 LEU 16 HD22 LEU 16 2.134 -14.023 6.825 121 HD23 LEU 16 HD23 LEU 16 2.545 -12.557 5.929 122 H ASP 17 H ASP 17 -0.435 -11.511 6.179 123 HA ASP 17 HA ASP 17 -2.745 -9.955 5.864 124 HB2 ASP 17 HB2 ASP 17 -1.956 -8.871 7.946 125 HB3 ASP 17 HB1 ASP 17 -0.388 -8.583 7.197 126 H ASN 18 H ASN 18 -2.508 -10.489 3.786 127 HA ASN 18 HA ASN 18 -0.217 -9.260 2.438 128 HB2 ASN 18 HB2 ASN 18 -1.528 -11.897 1.731 129 HB3 ASN 18 HB1 ASN 18 -0.217 -11.130 0.853 130 HD21 ASN 18 HD21 ASN 18 1.870 -11.333 1.606 131 HD22 ASN 18 HD22 ASN 18 2.275 -12.351 2.949 132 HA PRO 19 HA PRO 19 -4.320 -7.845 0.759 133 HB2 PRO 19 HB2 PRO 19 -3.102 -5.187 0.804 134 HB3 PRO 19 HB1 PRO 19 -4.611 -5.723 1.551 135 HG2 PRO 19 HG2 PRO 19 -2.445 -5.086 3.023 136 HG3 PRO 19 HG1 PRO 19 -3.559 -6.379 3.504 137 HD2 PRO 19 HD2 PRO 19 -0.894 -6.585 2.150 138 HD3 PRO 19 HD1 PRO 19 -1.559 -7.554 3.485 139 H ARG 20 H ARG 20 -1.096 -6.701 0.012 140 HA ARG 20 HA ARG 20 -1.799 -6.307 -2.805 141 HB2 ARG 20 HB2 ARG 20 1.012 -6.103 -1.663 142 HB3 ARG 20 HB1 ARG 20 0.412 -5.399 -3.149 143 HG2 ARG 20 HG2 ARG 20 0.464 -3.522 -1.859 144 HG3 ARG 20 HG1 ARG 20 -1.152 -4.095 -1.431 145 HD2 ARG 20 HD2 ARG 20 -0.003 -5.369 0.476 146 HD3 ARG 20 HD1 ARG 20 1.403 -4.385 0.122 147 HE ARG 20 HE ARG 20 -0.708 -2.645 0.424 148 HH11 ARG 20 HH11 ARG 20 1.293 -4.768 2.427 149 HH12 ARG 20 HH12 ARG 20 0.695 -4.195 3.904 150 HH21 ARG 20 HH21 ARG 20 -1.485 -1.777 2.539 151 HH22 ARG 20 HH22 ARG 20 -0.872 -2.476 3.955 152 H GLY 21 H GLY 21 -0.119 -8.405 -0.692 153 HA2 GLY 21 HA2 GLY 21 -0.092 -10.785 -1.356 154 HA3 GLY 21 HA1 GLY 21 0.600 -10.194 -2.892 155 H CYS 22 H CYS 22 2.443 -8.832 -2.686 156 HA CYS 22 HA CYS 22 4.466 -9.969 -1.124 157 HB2 CYS 22 HB2 CYS 22 4.256 -7.406 -2.671 158 HB3 CYS 22 HB1 CYS 22 5.713 -7.853 -1.810 159 H GLN 23 H GLN 23 5.121 -9.489 0.850 160 HA GLN 23 HA GLN 23 3.898 -7.189 2.145 161 HB2 GLN 23 HB2 GLN 23 4.412 -8.296 4.280 162 HB3 GLN 23 HB1 GLN 23 3.291 -9.221 3.272 163 HG2 GLN 23 HG2 GLN 23 5.156 -10.646 2.596 164 HG3 GLN 23 HG1 GLN 23 6.225 -9.748 3.661 165 HE21 GLN 23 HE21 GLN 23 5.564 -12.538 3.766 166 HE22 GLN 23 HE22 GLN 23 4.859 -12.833 5.310 167 H ILE 24 H ILE 24 5.130 -5.579 2.140 168 HA ILE 24 HA ILE 24 8.009 -5.995 2.078 169 HB ILE 24 HB ILE 24 6.511 -3.439 1.336 170 HG12 ILE 24 HG12 ILE 24 7.210 -4.036 -1.046 171 HG13 ILE 24 HG11 ILE 24 7.512 -5.670 -0.438 172 HG21 ILE 24 HG21 ILE 24 8.814 -2.993 1.955 173 HG22 ILE 24 HG22 ILE 24 8.589 -2.834 0.199 174 HG23 ILE 24 HG23 ILE 24 9.362 -4.269 0.856 175 HD11 ILE 24 HD11 ILE 24 5.408 -5.514 -1.569 176 HD12 ILE 24 HD12 ILE 24 4.900 -4.189 -0.521 177 HD13 ILE 24 HD13 ILE 24 5.135 -5.806 0.146 178 H ARG 25 H ARG 25 9.351 -4.938 3.601 179 HA ARG 25 HA ARG 25 8.104 -4.528 6.083 180 HB2 ARG 25 HB2 ARG 25 10.326 -4.069 6.973 181 HB3 ARG 25 HB1 ARG 25 10.310 -5.524 5.991 182 HG2 ARG 25 HG2 ARG 25 11.339 -4.091 4.135 183 HG3 ARG 25 HG1 ARG 25 11.509 -2.843 5.364 184 HD2 ARG 25 HD2 ARG 25 12.772 -4.394 6.783 185 HD3 ARG 25 HD1 ARG 25 12.651 -5.616 5.522 186 HE ARG 25 HE ARG 25 13.955 -3.065 4.914 187 HH11 ARG 25 HH11 ARG 25 14.288 -6.558 5.473 188 HH12 ARG 25 HH12 ARG 25 15.887 -6.629 4.878 189 HH21 ARG 25 HH21 ARG 25 16.139 -3.194 4.145 190 HH22 ARG 25 HH22 ARG 25 16.971 -4.668 4.108 191 H ILE 26 H ILE 26 7.098 -2.910 6.763 192 HA ILE 26 HA ILE 26 6.916 -0.539 5.311 193 HB ILE 26 HB ILE 26 5.496 0.333 7.150 194 HG12 ILE 26 HG12 ILE 26 4.787 -1.399 8.922 195 HG13 ILE 26 HG11 ILE 26 6.263 -2.259 8.530 196 HG21 ILE 26 HG21 ILE 26 4.544 -0.932 5.375 197 HG22 ILE 26 HG22 ILE 26 3.742 -1.371 6.893 198 HG23 ILE 26 HG23 ILE 26 4.955 -2.443 6.186 199 HD11 ILE 26 HD11 ILE 26 6.084 0.534 9.647 200 HD12 ILE 26 HD12 ILE 26 7.572 -0.338 9.278 201 HD13 ILE 26 HD13 ILE 26 6.496 -0.927 10.546 202 H GLN 27 H GLN 27 9.230 -1.427 7.486 203 HA GLN 27 HA GLN 27 9.810 1.143 8.603 204 HB2 GLN 27 HB2 GLN 27 11.784 0.109 9.522 205 HB3 GLN 27 HB1 GLN 27 10.423 -0.995 9.673 206 HG2 GLN 27 HG2 GLN 27 11.231 -2.200 7.663 207 HG3 GLN 27 HG1 GLN 27 12.645 -1.152 7.655 208 HE21 GLN 27 HE21 GLN 27 14.180 -1.375 9.319 209 HE22 GLN 27 HE22 GLN 27 14.249 -2.784 10.285 210 H GLN 28 H GLN 28 10.516 -0.481 5.638 211 HA GLN 28 HA GLN 28 12.827 1.142 5.145 212 HB2 GLN 28 HB2 GLN 28 13.175 -0.126 3.160 213 HB3 GLN 28 HB1 GLN 28 12.498 -1.232 4.349 214 HG2 GLN 28 HG2 GLN 28 10.554 -1.506 3.267 215 HG3 GLN 28 HG1 GLN 28 10.631 0.083 2.509 216 HE21 GLN 28 HE21 GLN 28 13.401 -2.042 2.380 217 HE22 GLN 28 HE22 GLN 28 13.220 -2.389 0.709 218 H LEU 29 H LEU 29 9.443 1.080 4.357 219 HA LEU 29 HA LEU 29 9.708 3.123 2.331 220 HB2 LEU 29 HB2 LEU 29 7.215 1.972 3.535 221 HB3 LEU 29 HB1 LEU 29 7.253 3.201 2.293 222 HG LEU 29 HG LEU 29 6.856 1.368 1.063 223 HD11 LEU 29 HD11 LEU 29 8.897 0.707 -0.142 224 HD12 LEU 29 HD12 LEU 29 9.846 1.452 1.150 225 HD13 LEU 29 HD13 LEU 29 8.781 2.442 0.174 226 HD21 LEU 29 HD21 LEU 29 8.639 -0.222 2.891 227 HD22 LEU 29 HD22 LEU 29 7.829 -0.878 1.465 228 HD23 LEU 29 HD23 LEU 29 6.879 -0.262 2.822 229 H ASN 30 H ASN 30 9.668 3.140 5.576 230 HA ASN 30 HA ASN 30 7.988 5.264 6.200 231 HB2 ASN 30 HB2 ASN 30 9.028 3.795 7.899 232 HB3 ASN 30 HB1 ASN 30 10.582 4.544 7.573 233 HD21 ASN 30 HD21 ASN 30 7.493 6.294 7.738 234 HD22 ASN 30 HD22 ASN 30 7.906 7.201 9.129 235 H HIS 31 H HIS 31 11.172 5.239 4.770 236 HA HIS 31 HA HIS 31 11.724 8.014 5.259 237 HB2 HIS 31 HB2 HIS 31 13.436 6.154 4.445 238 HB3 HIS 31 HB1 HIS 31 12.786 6.561 2.869 239 HD1 HIS 31 HD1 HIS 31 15.616 7.428 4.773 240 HD2 HIS 31 HD2 HIS 31 12.843 9.622 2.582 241 HE1 HIS 31 HE1 HIS 31 16.714 9.625 4.244 242 H CYS 32 H CYS 32 10.660 6.192 2.421 243 HA CYS 32 HA CYS 32 10.229 8.220 0.593 244 HB2 CYS 32 HB2 CYS 32 10.057 5.528 0.630 245 HB3 CYS 32 HB1 CYS 32 8.351 5.909 0.734 246 H GLN 33 H GLN 33 7.950 6.649 2.824 247 HA GLN 33 HA GLN 33 5.667 8.063 2.531 248 HB2 GLN 33 HB2 GLN 33 5.778 6.077 3.736 249 HB3 GLN 33 HB1 GLN 33 7.006 6.690 4.826 250 HG2 GLN 33 HG2 GLN 33 5.356 8.319 5.605 251 HG3 GLN 33 HG1 GLN 33 4.101 7.456 4.718 252 HE21 GLN 33 HE21 GLN 33 2.978 6.783 6.539 253 HE22 GLN 33 HE22 GLN 33 3.588 5.667 7.698 254 H MET 34 H MET 34 8.175 8.673 5.070 255 HA MET 34 HA MET 34 6.770 10.913 6.102 256 HB2 MET 34 HB2 MET 34 8.572 11.245 7.618 257 HB3 MET 34 HB1 MET 34 8.367 9.505 7.404 258 HG2 MET 34 HG2 MET 34 10.296 9.474 5.916 259 HG3 MET 34 HG1 MET 34 10.496 11.208 6.132 260 HE1 MET 34 HE1 MET 34 12.915 9.285 6.559 261 HE2 MET 34 HE2 MET 34 13.574 9.876 8.083 262 HE3 MET 34 HE3 MET 34 12.989 11.018 6.876 263 H HIS 35 H HIS 35 9.323 10.585 3.839 264 HA HIS 35 HA HIS 35 10.175 13.291 3.771 265 HB2 HIS 35 HB2 HIS 35 11.314 11.158 2.827 266 HB3 HIS 35 HB1 HIS 35 10.329 11.447 1.403 267 HD1 HIS 35 HD1 HIS 35 10.711 14.454 0.896 268 HD2 HIS 35 HD2 HIS 35 13.751 11.952 2.243 269 HE1 HIS 35 HE1 HIS 35 12.867 15.553 0.246 270 H LEU 36 H LEU 36 7.663 11.501 2.114 271 HA LEU 36 HA LEU 36 7.051 13.709 0.356 272 HB2 LEU 36 HB2 LEU 36 5.748 11.056 0.785 273 HB3 LEU 36 HB1 LEU 36 5.111 12.247 -0.342 274 HG LEU 36 HG LEU 36 7.819 10.907 -0.452 275 HD11 LEU 36 HD11 LEU 36 6.963 9.822 -2.456 276 HD12 LEU 36 HD12 LEU 36 5.396 10.586 -2.194 277 HD13 LEU 36 HD13 LEU 36 6.015 9.414 -1.027 278 HD21 LEU 36 HD21 LEU 36 8.040 11.973 -2.666 279 HD22 LEU 36 HD22 LEU 36 8.001 13.142 -1.356 280 HD23 LEU 36 HD23 LEU 36 6.565 12.886 -2.354 281 H THR 37 H THR 37 5.692 12.379 3.351 282 HA THR 37 HA THR 37 3.363 13.959 2.983 283 HB THR 37 HB THR 37 2.798 13.223 5.276 284 HG1 THR 37 HG1 THR 37 4.454 11.275 5.642 285 HG21 THR 37 HG21 THR 37 2.522 10.873 4.634 286 HG22 THR 37 HG22 THR 37 3.681 11.120 3.324 287 HG23 THR 37 HG23 THR 37 2.134 11.962 3.299 288 H SER 38 H SER 38 6.416 14.546 4.329 289 HA SER 38 HA SER 38 5.421 16.712 5.941 290 HB2 SER 38 HB2 SER 38 7.828 17.043 6.546 291 HB3 SER 38 HB1 SER 38 7.203 15.438 6.924 292 HG SER 38 HG SER 38 8.315 14.580 5.302 293 H PHE 39 H PHE 39 6.088 18.895 5.627 294 HA PHE 39 HA PHE 39 7.230 19.472 3.000 295 HB2 PHE 39 HB2 PHE 39 4.939 20.910 4.352 296 HB3 PHE 39 HB1 PHE 39 5.856 21.595 3.019 297 HD1 PHE 39 HD1 PHE 39 5.828 20.429 0.809 298 HD2 PHE 39 HD2 PHE 39 3.180 19.404 3.975 299 HE1 PHE 39 HE1 PHE 39 4.332 19.337 -0.804 300 HE2 PHE 39 HE2 PHE 39 1.685 18.315 2.379 301 HZ PHE 39 HZ PHE 39 2.260 18.277 -0.027 302 H ASP 40 H ASP 40 8.907 20.867 3.062 303 HA ASP 40 HA ASP 40 9.797 21.538 5.714 304 HB2 ASP 40 HB2 ASP 40 11.154 20.521 3.753 305 HB3 ASP 40 HB1 ASP 40 11.261 22.172 3.171 306 H TYR 41 H TYR 41 10.967 23.758 5.723 307 HA TYR 41 HA TYR 41 8.775 25.648 5.213 308 HB2 TYR 41 HB2 TYR 41 9.583 26.914 7.138 309 HB3 TYR 41 HB1 TYR 41 9.324 25.198 7.492 310 HD1 TYR 41 HD1 TYR 41 11.885 27.797 7.083 311 HD2 TYR 41 HD2 TYR 41 11.118 23.756 8.101 312 HE1 TYR 41 HE1 TYR 41 14.170 27.590 7.922 313 HE2 TYR 41 HE2 TYR 41 13.399 23.530 8.955 314 HH TYR 41 HH TYR 41 15.376 26.143 9.569 315 H LYS 42 H LYS 42 12.250 25.209 4.803 316 HA LYS 42 HA LYS 42 12.460 27.937 3.889 317 HB2 LYS 42 HB2 LYS 42 14.806 27.740 3.949 318 HB3 LYS 42 HB1 LYS 42 14.179 26.752 5.262 319 HG2 LYS 42 HG2 LYS 42 15.048 25.595 2.619 320 HG3 LYS 42 HG1 LYS 42 16.144 25.817 3.976 321 HD2 LYS 42 HD2 LYS 42 14.584 24.390 5.333 322 HD3 LYS 42 HD1 LYS 42 13.690 24.111 3.832 323 HE2 LYS 42 HE2 LYS 42 15.492 23.004 2.818 324 HE3 LYS 42 HE1 LYS 42 16.630 23.574 4.036 325 HZ1 LYS 42 HZ1 LYS 42 14.436 21.612 4.593 326 HZ2 LYS 42 HZ2 LYS 42 15.641 22.104 5.643 327 HZ3 LYS 42 HZ3 LYS 42 16.039 21.219 4.275 328 H LEU 43 H LEU 43 11.209 25.499 2.486 329 HA LEU 43 HA LEU 43 12.346 25.358 -0.089 330 HB2 LEU 43 HB2 LEU 43 9.424 25.104 0.625 331 HB3 LEU 43 HB1 LEU 43 10.201 24.469 -0.809 332 HG LEU 43 HG LEU 43 10.688 23.566 2.003 333 HD11 LEU 43 HD11 LEU 43 9.545 21.505 1.291 334 HD12 LEU 43 HD12 LEU 43 9.121 22.294 -0.237 335 HD13 LEU 43 HD13 LEU 43 8.512 22.926 1.300 336 HD21 LEU 43 HD21 LEU 43 11.926 21.709 0.974 337 HD22 LEU 43 HD22 LEU 43 12.673 23.271 0.654 338 HD23 LEU 43 HD23 LEU 43 11.732 22.467 -0.609 339 H ARG 44 H ARG 44 12.720 27.292 -1.089 340 HA ARG 44 HA ARG 44 10.701 29.392 -0.934 341 HB2 ARG 44 HB2 ARG 44 13.488 29.473 -2.077 342 HB3 ARG 44 HB1 ARG 44 12.395 30.843 -1.955 343 HG2 ARG 44 HG2 ARG 44 12.404 30.614 0.491 344 HG3 ARG 44 HG1 ARG 44 13.544 29.278 0.344 345 HD2 ARG 44 HD2 ARG 44 14.754 31.286 0.863 346 HD3 ARG 44 HD1 ARG 44 15.118 30.809 -0.793 347 HE ARG 44 HE ARG 44 12.959 32.669 -0.581 348 HH11 ARG 44 HH11 ARG 44 16.476 32.372 -0.901 349 HH12 ARG 44 HH12 ARG 44 16.700 33.986 -1.418 350 HH21 ARG 44 HH21 ARG 44 13.308 34.906 -1.302 351 HH22 ARG 44 HH22 ARG 44 14.890 35.419 -1.667 352 H MET 45 H MET 45 12.275 27.353 -3.246 353 HA MET 45 HA MET 45 10.142 27.806 -5.149 354 HB2 MET 45 HB2 MET 45 11.708 28.446 -6.957 355 HB3 MET 45 HB1 MET 45 11.600 29.661 -5.691 356 HG2 MET 45 HG2 MET 45 13.663 28.834 -4.730 357 HG3 MET 45 HG1 MET 45 13.816 27.647 -6.028 358 HE1 MET 45 HE1 MET 45 13.934 28.418 -8.648 359 HE2 MET 45 HE2 MET 45 14.170 30.088 -9.154 360 HE3 MET 45 HE3 MET 45 12.626 29.592 -8.469 361 H ALA 46 H ALA 46 11.277 25.627 -3.554 362 HA ALA 46 HA ALA 46 12.725 23.970 -5.414 363 HB1 ALA 46 HB1 ALA 46 13.316 23.910 -3.031 364 HB2 ALA 46 HB2 ALA 46 12.791 22.328 -3.611 365 HB3 ALA 46 HB3 ALA 46 11.695 23.325 -2.654 366 H VAL 47 H VAL 47 11.363 23.646 -7.043 367 HA VAL 47 HA VAL 47 8.966 22.023 -6.480 368 HB VAL 47 HB VAL 47 9.487 23.838 -8.856 369 HG11 VAL 47 HG11 VAL 47 8.187 21.874 -9.524 370 HG12 VAL 47 HG12 VAL 47 7.178 23.320 -9.538 371 HG13 VAL 47 HG13 VAL 47 7.050 22.168 -8.210 372 HG21 VAL 47 HG21 VAL 47 7.587 25.138 -7.973 373 HG22 VAL 47 HG22 VAL 47 8.953 25.092 -6.858 374 HG23 VAL 47 HG23 VAL 47 7.541 24.076 -6.567 375 H GLU 48 H GLU 48 11.618 22.500 -8.804 376 HA GLU 48 HA GLU 48 11.728 19.640 -9.120 377 HB2 GLU 48 HB2 GLU 48 11.816 19.847 -11.603 378 HB3 GLU 48 HB1 GLU 48 10.241 20.219 -10.918 379 HG2 GLU 48 HG2 GLU 48 10.742 22.604 -11.123 380 HG3 GLU 48 HG1 GLU 48 12.293 22.212 -11.860 381 H ASN 49 H ASN 49 13.737 19.231 -8.524 382 HA ASN 49 HA ASN 49 15.898 20.348 -9.961 383 HB2 ASN 49 HB2 ASN 49 17.146 21.338 -8.049 384 HB3 ASN 49 HB1 ASN 49 15.623 22.168 -8.280 385 HD21 ASN 49 HD21 ASN 49 15.528 22.974 -6.232 386 HD22 ASN 49 HD22 ASN 49 15.323 21.987 -4.832 387 HA PRO 50 HA PRO 50 17.606 16.388 -9.357 388 HB2 PRO 50 HB2 PRO 50 20.221 16.982 -8.619 389 HB3 PRO 50 HB1 PRO 50 19.624 16.899 -10.279 390 HG2 PRO 50 HG2 PRO 50 19.980 19.286 -8.512 391 HG3 PRO 50 HG1 PRO 50 20.366 19.107 -10.237 392 HD2 PRO 50 HD2 PRO 50 18.193 20.403 -9.493 393 HD3 PRO 50 HD1 PRO 50 18.118 19.277 -10.862 394 H LYS 51 H LYS 51 18.132 18.688 -6.791 395 HA LYS 51 HA LYS 51 19.076 16.843 -4.880 396 HB2 LYS 51 HB2 LYS 51 17.766 19.493 -4.391 397 HB3 LYS 51 HB1 LYS 51 18.601 18.472 -3.217 398 HG2 LYS 51 HG2 LYS 51 20.657 18.678 -4.526 399 HG3 LYS 51 HG1 LYS 51 19.817 19.768 -5.628 400 HD2 LYS 51 HD2 LYS 51 21.124 21.011 -4.005 401 HD3 LYS 51 HD1 LYS 51 19.391 21.305 -3.798 402 HE2 LYS 51 HE2 LYS 51 19.315 19.806 -1.913 403 HE3 LYS 51 HE1 LYS 51 20.989 19.323 -2.168 404 HZ1 LYS 51 HZ1 LYS 51 20.658 20.903 -0.366 405 HZ2 LYS 51 HZ2 LYS 51 20.128 22.078 -1.452 406 HZ3 LYS 51 HZ3 LYS 51 21.714 21.486 -1.536 407 H GLN 52 H GLN 52 15.858 17.927 -5.741 408 HA GLN 52 HA GLN 52 14.621 16.792 -3.450 409 HB2 GLN 52 HB2 GLN 52 13.550 17.662 -6.102 410 HB3 GLN 52 HB1 GLN 52 12.521 16.908 -4.893 411 HG2 GLN 52 HG2 GLN 52 12.942 18.681 -3.351 412 HG3 GLN 52 HG1 GLN 52 14.151 19.380 -4.437 413 HE21 GLN 52 HE21 GLN 52 13.523 20.415 -6.205 414 HE22 GLN 52 HE22 GLN 52 11.894 20.928 -6.515 415 H GLN 53 H GLN 53 15.829 15.492 -6.313 416 HA GLN 53 HA GLN 53 14.126 13.172 -6.345 417 HB2 GLN 53 HB2 GLN 53 16.693 13.715 -7.833 418 HB3 GLN 53 HB1 GLN 53 15.539 12.433 -8.190 419 HG2 GLN 53 HG2 GLN 53 13.853 14.061 -8.770 420 HG3 GLN 53 HG1 GLN 53 14.934 15.375 -8.316 421 HE21 GLN 53 HE21 GLN 53 14.169 13.006 -10.681 422 HE22 GLN 53 HE22 GLN 53 15.227 13.603 -11.901 423 H GLN 54 H GLN 54 16.368 14.129 -4.277 424 HA GLN 54 HA GLN 54 18.123 12.001 -3.855 425 HB2 GLN 54 HB2 GLN 54 18.368 12.862 -1.588 426 HB3 GLN 54 HB1 GLN 54 18.268 14.205 -2.721 427 HG2 GLN 54 HG2 GLN 54 15.923 14.527 -2.149 428 HG3 GLN 54 HG1 GLN 54 16.007 13.204 -1.015 429 HE21 GLN 54 HE21 GLN 54 15.492 14.516 0.733 430 HE22 GLN 54 HE22 GLN 54 16.601 15.645 1.381 431 H HIS 55 H HIS 55 14.788 12.537 -2.822 432 HA HIS 55 HA HIS 55 14.763 10.302 -1.117 433 HB2 HIS 55 HB2 HIS 55 12.242 10.539 -1.087 434 HB3 HIS 55 HB1 HIS 55 13.144 11.941 -0.556 435 HD1 HIS 55 HD1 HIS 55 11.113 13.515 -1.049 436 HD2 HIS 55 HD2 HIS 55 12.585 11.484 -4.341 437 HE1 HIS 55 HE1 HIS 55 9.990 14.542 -3.031 438 H LEU 56 H LEU 56 14.533 10.573 -4.440 439 HA LEU 56 HA LEU 56 13.189 8.065 -4.872 440 HB2 LEU 56 HB2 LEU 56 13.171 9.532 -6.745 441 HB3 LEU 56 HB1 LEU 56 14.913 9.774 -6.652 442 HG LEU 56 HG LEU 56 14.992 7.219 -6.929 443 HD11 LEU 56 HD11 LEU 56 12.825 6.654 -6.776 444 HD12 LEU 56 HD12 LEU 56 13.375 6.270 -8.406 445 HD13 LEU 56 HD13 LEU 56 12.330 7.684 -8.126 446 HD21 LEU 56 HD21 LEU 56 16.014 8.712 -8.379 447 HD22 LEU 56 HD22 LEU 56 14.500 8.986 -9.298 448 HD23 LEU 56 HD23 LEU 56 15.280 7.374 -9.237 449 H SER 57 H SER 57 16.500 9.303 -5.064 450 HA SER 57 HA SER 57 17.798 6.982 -5.674 451 HB2 SER 57 HB2 SER 57 18.808 9.258 -3.969 452 HB3 SER 57 HB1 SER 57 19.787 8.138 -4.929 453 HG SER 57 HG SER 57 18.519 8.928 -6.769 454 H LEU 58 H LEU 58 16.539 8.090 -2.700 455 HA LEU 58 HA LEU 58 17.878 6.057 -1.106 456 HB2 LEU 58 HB2 LEU 58 15.713 7.968 -0.221 457 HB3 LEU 58 HB1 LEU 58 16.806 7.035 0.777 458 HG LEU 58 HG LEU 58 17.680 9.230 -1.086 459 HD11 LEU 58 HD11 LEU 58 16.379 10.141 0.729 460 HD12 LEU 58 HD12 LEU 58 18.084 10.549 0.926 461 HD13 LEU 58 HD13 LEU 58 17.363 9.269 1.903 462 HD21 LEU 58 HD21 LEU 58 19.203 7.689 1.019 463 HD22 LEU 58 HD22 LEU 58 19.827 9.066 0.112 464 HD23 LEU 58 HD23 LEU 58 19.418 7.571 -0.729 465 H CYS 59 H CYS 59 14.511 6.865 -1.979 466 HA CYS 59 HA CYS 59 13.356 4.630 -0.713 467 HB2 CYS 59 HB2 CYS 59 12.170 6.624 -1.154 468 HB3 CYS 59 HB1 CYS 59 12.310 6.454 -2.875 469 H CYS 60 H CYS 60 14.071 5.243 -4.168 470 HA CYS 60 HA CYS 60 13.118 2.817 -5.213 471 HB2 CYS 60 HB2 CYS 60 13.533 4.588 -6.750 472 HB3 CYS 60 HB1 CYS 60 15.183 4.791 -6.194 473 H ASN 61 H ASN 61 16.148 3.808 -3.965 474 HA ASN 61 HA ASN 61 17.532 1.358 -4.643 475 HB2 ASN 61 HB2 ASN 61 18.526 3.542 -4.213 476 HB3 ASN 61 HB1 ASN 61 18.338 3.286 -2.484 477 HD21 ASN 61 HD21 ASN 61 19.613 1.623 -1.475 478 HD22 ASN 61 HD22 ASN 61 21.041 1.015 -2.227 479 H GLN 62 H GLN 62 15.651 2.404 -1.987 480 HA GLN 62 HA GLN 62 16.417 0.352 -0.155 481 HB2 GLN 62 HB2 GLN 62 15.539 2.628 0.436 482 HB3 GLN 62 HB1 GLN 62 13.989 2.151 -0.218 483 HG2 GLN 62 HG2 GLN 62 13.634 1.838 2.002 484 HG3 GLN 62 HG1 GLN 62 14.192 0.240 1.508 485 HE21 GLN 62 HE21 GLN 62 17.006 1.140 1.332 486 HE22 GLN 62 HE22 GLN 62 17.551 1.278 2.947 487 H LEU 63 H LEU 63 13.625 1.024 -2.206 488 HA LEU 63 HA LEU 63 12.176 -1.291 -1.499 489 HB2 LEU 63 HB2 LEU 63 10.633 -0.635 -3.233 490 HB3 LEU 63 HB1 LEU 63 11.202 0.815 -2.440 491 HG LEU 63 HG LEU 63 12.893 0.889 -4.411 492 HD11 LEU 63 HD11 LEU 63 10.600 -0.584 -5.642 493 HD12 LEU 63 HD12 LEU 63 12.213 -1.223 -5.361 494 HD13 LEU 63 HD13 LEU 63 11.985 0.126 -6.491 495 HD21 LEU 63 HD21 LEU 63 11.408 2.621 -3.932 496 HD22 LEU 63 HD22 LEU 63 10.033 1.650 -4.446 497 HD23 LEU 63 HD23 LEU 63 11.214 2.222 -5.652 498 H GLN 64 H GLN 64 14.535 -0.607 -3.945 499 HA GLN 64 HA GLN 64 14.074 -2.949 -5.482 500 HB2 GLN 64 HB2 GLN 64 15.976 -2.308 -6.784 501 HB3 GLN 64 HB1 GLN 64 15.149 -0.833 -6.268 502 HG2 GLN 64 HG2 GLN 64 16.682 -0.471 -4.561 503 HG3 GLN 64 HG1 GLN 64 17.533 -1.975 -4.911 504 HE21 GLN 64 HE21 GLN 64 19.477 -0.970 -5.393 505 HE22 GLN 64 HE22 GLN 64 19.712 0.017 -6.790 506 H GLU 65 H GLU 65 15.473 -2.572 -2.467 507 HA GLU 65 HA GLU 65 17.369 -4.698 -2.679 508 HB2 GLU 65 HB2 GLU 65 16.001 -3.597 -0.204 509 HB3 GLU 65 HB1 GLU 65 17.352 -4.716 -0.189 510 HG2 GLU 65 HG2 GLU 65 18.715 -3.004 -1.324 511 HG3 GLU 65 HG1 GLU 65 17.362 -1.882 -1.183 512 H VAL 66 H VAL 66 14.065 -4.268 -2.254 513 HA VAL 66 HA VAL 66 13.372 -6.878 -1.247 514 HB VAL 66 HB VAL 66 11.546 -4.840 -2.560 515 HG11 VAL 66 HG11 VAL 66 10.528 -7.012 -2.190 516 HG12 VAL 66 HG12 VAL 66 9.784 -5.761 -1.197 517 HG13 VAL 66 HG13 VAL 66 10.911 -6.908 -0.468 518 HG21 VAL 66 HG21 VAL 66 12.374 -4.926 0.333 519 HG22 VAL 66 HG22 VAL 66 11.101 -3.906 -0.359 520 HG23 VAL 66 HG23 VAL 66 12.767 -3.685 -0.863 521 H GLU 67 H GLU 67 12.011 -8.321 -2.555 522 HA GLU 67 HA GLU 67 12.971 -9.143 -4.993 523 HB2 GLU 67 HB2 GLU 67 10.302 -9.481 -3.707 524 HB3 GLU 67 HB1 GLU 67 10.696 -10.309 -5.199 525 HG2 GLU 67 HG2 GLU 67 12.607 -11.312 -4.110 526 HG3 GLU 67 HG1 GLU 67 12.169 -10.502 -2.600 527 H LYS 68 H LYS 68 12.413 -8.924 -7.110 528 HA LYS 68 HA LYS 68 11.776 -6.284 -7.847 529 HB2 LYS 68 HB2 LYS 68 11.914 -7.029 -10.163 530 HB3 LYS 68 HB1 LYS 68 13.307 -7.550 -9.234 531 HG2 LYS 68 HG2 LYS 68 12.314 -9.778 -9.076 532 HG3 LYS 68 HG1 LYS 68 10.965 -9.227 -10.083 533 HD2 LYS 68 HD2 LYS 68 12.482 -10.326 -11.546 534 HD3 LYS 68 HD1 LYS 68 12.696 -8.580 -11.757 535 HE2 LYS 68 HE2 LYS 68 14.682 -8.579 -10.421 536 HE3 LYS 68 HE1 LYS 68 14.455 -10.277 -10.002 537 HZ1 LYS 68 HZ1 LYS 68 14.735 -10.815 -12.356 538 HZ2 LYS 68 HZ2 LYS 68 16.096 -10.063 -11.700 539 HZ3 LYS 68 HZ3 LYS 68 15.052 -9.191 -12.701 540 H GLN 69 H GLN 69 9.828 -9.049 -7.502 541 HA GLN 69 HA GLN 69 7.605 -7.946 -9.004 542 HB2 GLN 69 HB2 GLN 69 6.310 -9.864 -8.221 543 HB3 GLN 69 HB1 GLN 69 7.869 -10.397 -8.825 544 HG2 GLN 69 HG2 GLN 69 8.690 -10.638 -6.535 545 HG3 GLN 69 HG1 GLN 69 7.172 -10.011 -5.922 546 HE21 GLN 69 HE21 GLN 69 6.745 -11.837 -4.736 547 HE22 GLN 69 HE22 GLN 69 6.281 -13.329 -5.460 548 H CYS 70 H CYS 70 8.869 -7.506 -5.930 549 HA CYS 70 HA CYS 70 6.314 -6.736 -4.744 550 HB2 CYS 70 HB2 CYS 70 8.959 -7.423 -3.492 551 HB3 CYS 70 HB1 CYS 70 7.500 -7.031 -2.595 552 H GLN 71 H GLN 71 9.096 -5.506 -6.124 553 HA GLN 71 HA GLN 71 9.673 -3.211 -4.612 554 HB2 GLN 71 HB2 GLN 71 10.027 -3.864 -7.518 555 HB3 GLN 71 HB1 GLN 71 10.573 -2.345 -6.811 556 HG2 GLN 71 HG2 GLN 71 11.971 -3.559 -5.247 557 HG3 GLN 71 HG1 GLN 71 11.417 -5.086 -5.918 558 HE21 GLN 71 HE21 GLN 71 13.545 -5.619 -6.348 559 HE22 GLN 71 HE22 GLN 71 14.404 -4.957 -7.693 560 H CYS 72 H CYS 72 7.240 -3.598 -7.183 561 HA CYS 72 HA CYS 72 6.592 -0.814 -6.921 562 HB2 CYS 72 HB2 CYS 72 4.929 -1.127 -8.531 563 HB3 CYS 72 HB1 CYS 72 6.293 -2.126 -9.051 564 H GLU 73 H GLU 73 5.669 -3.784 -5.523 565 HA GLU 73 HA GLU 73 3.137 -3.063 -4.584 566 HB2 GLU 73 HB2 GLU 73 5.128 -5.063 -3.531 567 HB3 GLU 73 HB1 GLU 73 3.453 -4.965 -3.003 568 HG2 GLU 73 HG2 GLU 73 4.375 -5.529 -5.810 569 HG3 GLU 73 HG1 GLU 73 3.897 -6.753 -4.659 570 H ALA 74 H ALA 74 6.434 -2.659 -3.430 571 HA ALA 74 HA ALA 74 5.966 -1.859 -0.828 572 HB1 ALA 74 HB1 ALA 74 8.168 -2.460 -1.806 573 HB2 ALA 74 HB2 ALA 74 8.187 -0.943 -0.929 574 HB3 ALA 74 HB3 ALA 74 8.155 -0.936 -2.697 575 H ILE 75 H ILE 75 5.813 -0.248 -3.894 576 HA ILE 75 HA ILE 75 5.786 2.450 -3.071 577 HB ILE 75 HB ILE 75 4.431 1.259 -5.487 578 HG12 ILE 75 HG12 ILE 75 6.699 0.556 -5.543 579 HG13 ILE 75 HG11 ILE 75 6.533 1.877 -6.698 580 HG21 ILE 75 HG21 ILE 75 5.449 4.043 -5.076 581 HG22 ILE 75 HG22 ILE 75 3.782 3.526 -4.893 582 HG23 ILE 75 HG23 ILE 75 4.547 3.419 -6.468 583 HD11 ILE 75 HD11 ILE 75 7.484 3.357 -4.883 584 HD12 ILE 75 HD12 ILE 75 8.533 2.133 -5.603 585 HD13 ILE 75 HD13 ILE 75 7.816 1.833 -4.015 586 H LYS 76 H LYS 76 3.331 -0.020 -3.402 587 HA LYS 76 HA LYS 76 1.084 1.719 -3.441 588 HB2 LYS 76 HB2 LYS 76 1.187 -1.162 -2.518 589 HB3 LYS 76 HB1 LYS 76 -0.205 -0.295 -3.153 590 HG2 LYS 76 HG2 LYS 76 2.270 -0.995 -4.731 591 HG3 LYS 76 HG1 LYS 76 0.755 -1.891 -4.771 592 HD2 LYS 76 HD2 LYS 76 0.939 1.035 -5.473 593 HD3 LYS 76 HD1 LYS 76 1.170 -0.236 -6.666 594 HE2 LYS 76 HE2 LYS 76 -1.300 0.184 -4.981 595 HE3 LYS 76 HE1 LYS 76 -1.120 0.613 -6.680 596 HZ1 LYS 76 HZ1 LYS 76 -1.035 -2.146 -5.557 597 HZ2 LYS 76 HZ2 LYS 76 -0.710 -1.752 -7.152 598 HZ3 LYS 76 HZ3 LYS 76 -2.244 -1.472 -6.522 599 H GLN 77 H GLN 77 2.862 -0.111 -1.143 600 HA GLN 77 HA GLN 77 1.287 0.357 1.139 601 HB2 GLN 77 HB2 GLN 77 4.263 -0.040 1.243 602 HB3 GLN 77 HB1 GLN 77 3.067 -0.493 2.440 603 HG2 GLN 77 HG2 GLN 77 2.231 -2.076 0.415 604 HG3 GLN 77 HG1 GLN 77 3.859 -1.808 -0.069 605 HE21 GLN 77 HE21 GLN 77 5.004 -1.563 2.524 606 HE22 GLN 77 HE22 GLN 77 5.094 -3.151 3.195 607 H VAL 78 H VAL 78 4.077 2.047 -0.276 608 HA VAL 78 HA VAL 78 4.572 3.911 1.733 609 HB VAL 78 HB VAL 78 4.653 4.686 -1.197 610 HG11 VAL 78 HG11 VAL 78 6.190 5.664 1.150 611 HG12 VAL 78 HG12 VAL 78 4.875 6.503 0.326 612 HG13 VAL 78 HG13 VAL 78 6.405 6.204 -0.518 613 HG21 VAL 78 HG21 VAL 78 5.910 2.595 -0.886 614 HG22 VAL 78 HG22 VAL 78 6.861 3.393 0.372 615 HG23 VAL 78 HG23 VAL 78 6.946 3.959 -1.292 616 H VAL 79 H VAL 79 2.222 3.994 -0.918 617 HA VAL 79 HA VAL 79 1.491 6.728 -0.442 618 HB VAL 79 HB VAL 79 -0.208 4.659 -1.815 619 HG11 VAL 79 HG11 VAL 79 -1.128 6.549 -3.044 620 HG12 VAL 79 HG12 VAL 79 -0.019 7.633 -2.210 621 HG13 VAL 79 HG13 VAL 79 -1.273 6.809 -1.297 622 HG21 VAL 79 HG21 VAL 79 2.030 6.284 -3.036 623 HG22 VAL 79 HG22 VAL 79 0.860 5.319 -3.943 624 HG23 VAL 79 HG23 VAL 79 1.977 4.529 -2.829 625 H GLU 80 H GLU 80 0.204 3.601 0.233 626 HA GLU 80 HA GLU 80 -2.236 4.398 1.333 627 HB2 GLU 80 HB2 GLU 80 -1.621 2.191 0.333 628 HB3 GLU 80 HB1 GLU 80 -0.731 1.844 1.802 629 HG2 GLU 80 HG2 GLU 80 -2.789 1.983 3.086 630 HG3 GLU 80 HG1 GLU 80 -3.682 2.360 1.609 631 H GLN 81 H GLN 81 0.944 3.760 2.785 632 HA GLN 81 HA GLN 81 -0.149 4.144 5.413 633 HB2 GLN 81 HB2 GLN 81 2.061 3.759 6.296 634 HB3 GLN 81 HB1 GLN 81 1.668 2.532 5.107 635 HG2 GLN 81 HG2 GLN 81 3.063 3.719 3.451 636 HG3 GLN 81 HG1 GLN 81 3.472 4.912 4.679 637 HE21 GLN 81 HE21 GLN 81 3.162 1.488 5.338 638 HE22 GLN 81 HE22 GLN 81 4.833 1.237 5.657 639 H ALA 82 H ALA 82 1.438 6.099 3.038 640 HA ALA 82 HA ALA 82 2.202 8.199 4.805 641 HB1 ALA 82 HB1 ALA 82 3.255 7.908 2.613 642 HB2 ALA 82 HB2 ALA 82 2.517 9.510 2.742 643 HB3 ALA 82 HB3 ALA 82 1.715 8.237 1.824 644 H GLN 83 H GLN 83 -0.554 7.670 2.695 645 HA GLN 83 HA GLN 83 -1.858 10.083 3.435 646 HB2 GLN 83 HB2 GLN 83 -3.828 9.188 2.291 647 HB3 GLN 83 HB1 GLN 83 -2.389 8.843 1.344 648 HG2 GLN 83 HG2 GLN 83 -2.376 6.557 2.208 649 HG3 GLN 83 HG1 GLN 83 -3.857 6.890 3.091 650 HE21 GLN 83 HE21 GLN 83 -4.999 5.341 1.941 651 HE22 GLN 83 HE22 GLN 83 -5.446 5.550 0.285 652 H LYS 84 H LYS 84 -1.664 6.911 4.773 653 HA LYS 84 HA LYS 84 -3.831 6.850 6.540 654 HB2 LYS 84 HB2 LYS 84 -2.857 4.892 6.055 655 HB3 LYS 84 HB1 LYS 84 -1.249 5.579 6.131 656 HG2 LYS 84 HG2 LYS 84 -2.016 5.877 8.671 657 HG3 LYS 84 HG1 LYS 84 -2.832 4.330 8.251 658 HD2 LYS 84 HD2 LYS 84 -0.770 3.569 7.346 659 HD3 LYS 84 HD1 LYS 84 -0.095 5.175 7.730 660 HE2 LYS 84 HE2 LYS 84 -0.450 4.832 10.041 661 HE3 LYS 84 HE1 LYS 84 -1.187 3.247 9.746 662 HZ1 LYS 84 HZ1 LYS 84 1.673 3.992 9.288 663 HZ2 LYS 84 HZ2 LYS 84 1.001 2.528 8.842 664 HZ3 LYS 84 HZ3 LYS 84 1.089 2.945 10.467 665 H GLN 85 H GLN 85 -0.460 7.844 6.875 666 HA GLN 85 HA GLN 85 -0.726 8.255 9.644 667 HB2 GLN 85 HB2 GLN 85 1.525 8.913 9.644 668 HB3 GLN 85 HB1 GLN 85 1.301 7.725 8.343 669 HG2 GLN 85 HG2 GLN 85 1.338 9.472 6.687 670 HG3 GLN 85 HG1 GLN 85 1.460 10.687 7.955 671 HE21 GLN 85 HE21 GLN 85 3.355 9.022 9.517 672 HE22 GLN 85 HE22 GLN 85 4.842 9.160 8.668 673 H LEU 86 H LEU 86 -1.347 10.160 6.928 674 HA LEU 86 HA LEU 86 -1.603 12.577 8.507 675 HB2 LEU 86 HB2 LEU 86 -1.757 12.003 5.592 676 HB3 LEU 86 HB1 LEU 86 -2.660 13.390 6.138 677 HG LEU 86 HG LEU 86 -0.491 14.000 5.291 678 HD11 LEU 86 HD11 LEU 86 0.194 15.407 7.168 679 HD12 LEU 86 HD12 LEU 86 -0.729 14.371 8.261 680 HD13 LEU 86 HD13 LEU 86 -1.571 15.330 7.052 681 HD21 LEU 86 HD21 LEU 86 0.838 12.070 5.852 682 HD22 LEU 86 HD22 LEU 86 0.526 12.354 7.564 683 HD23 LEU 86 HD23 LEU 86 1.514 13.497 6.666 684 H GLN 87 H GLN 87 -3.685 10.198 7.059 685 HA GLN 87 HA GLN 87 -6.160 11.383 7.616 686 HB2 GLN 87 HB2 GLN 87 -5.865 9.488 6.097 687 HB3 GLN 87 HB1 GLN 87 -5.394 8.469 7.446 688 HG2 GLN 87 HG2 GLN 87 -7.618 8.713 8.410 689 HG3 GLN 87 HG1 GLN 87 -8.085 9.748 7.060 690 HE21 GLN 87 HE21 GLN 87 -8.382 8.841 5.062 691 HE22 GLN 87 HE22 GLN 87 -8.572 7.137 4.832 692 H GLN 88 H GLN 88 -4.012 9.375 9.543 693 HA GLN 88 HA GLN 88 -5.964 9.150 11.670 694 HB2 GLN 88 HB2 GLN 88 -4.373 7.860 12.903 695 HB3 GLN 88 HB1 GLN 88 -4.422 7.293 11.232 696 HG2 GLN 88 HG2 GLN 88 -2.317 8.433 10.794 697 HG3 GLN 88 HG1 GLN 88 -2.278 9.039 12.449 698 HE21 GLN 88 HE21 GLN 88 -0.300 7.336 11.144 699 HE22 GLN 88 HE22 GLN 88 -0.233 5.890 12.089 700 H GLY 89 H GLY 89 -4.165 11.499 10.701 701 HA2 GLY 89 HA2 GLY 89 -3.590 12.620 13.345 702 HA3 GLY 89 HA1 GLY 89 -3.080 13.320 11.805 703 H GLN 90 H GLN 90 -4.133 15.083 11.304 704 HA GLN 90 HA GLN 90 -6.948 15.288 12.110 705 HB2 GLN 90 HB2 GLN 90 -4.979 17.539 11.688 706 HB3 GLN 90 HB1 GLN 90 -6.658 17.724 12.162 707 HG2 GLN 90 HG2 GLN 90 -4.455 16.454 13.769 708 HG3 GLN 90 HG1 GLN 90 -5.220 18.011 14.066 709 HE21 GLN 90 HE21 GLN 90 -4.962 15.750 15.804 710 HE22 GLN 90 HE22 GLN 90 -6.551 15.258 16.266 711 H GLY 91 H GLY 91 -4.632 16.489 9.680 712 HA2 GLY 91 HA2 GLY 91 -6.500 15.889 7.557 713 HA3 GLY 91 HA1 GLY 91 -6.195 17.607 7.821 714 H GLY 92 H GLY 92 -5.028 18.032 5.940 715 HA2 GLY 92 HA2 GLY 92 -2.914 18.408 5.150 716 HA3 GLY 92 HA1 GLY 92 -2.285 17.019 6.002 717 H GLN 93 H GLN 93 -4.579 15.430 4.952 718 HA GLN 93 HA GLN 93 -3.222 14.089 2.963 719 HB2 GLN 93 HB2 GLN 93 -6.209 14.235 3.290 720 HB3 GLN 93 HB1 GLN 93 -5.344 13.004 2.383 721 HG2 GLN 93 HG2 GLN 93 -4.245 12.318 4.500 722 HG3 GLN 93 HG1 GLN 93 -5.263 13.482 5.353 723 HE21 GLN 93 HE21 GLN 93 -7.490 13.071 5.524 724 HE22 GLN 93 HE22 GLN 93 -8.153 11.522 5.190 725 H GLN 94 H GLN 94 -5.382 16.804 2.578 726 HA GLN 94 HA GLN 94 -5.528 16.544 -0.296 727 HB2 GLN 94 HB2 GLN 94 -6.701 18.687 -0.263 728 HB3 GLN 94 HB1 GLN 94 -7.399 17.536 0.875 729 HG2 GLN 94 HG2 GLN 94 -6.329 18.636 2.706 730 HG3 GLN 94 HG1 GLN 94 -5.450 19.675 1.597 731 HE21 GLN 94 HE21 GLN 94 -7.348 20.308 3.768 732 HE22 GLN 94 HE22 GLN 94 -8.575 21.281 3.051 733 H GLN 95 H GLN 95 -3.581 18.397 1.940 734 HA GLN 95 HA GLN 95 -2.442 19.926 -0.232 735 HB2 GLN 95 HB2 GLN 95 -1.039 21.004 1.438 736 HB3 GLN 95 HB1 GLN 95 -2.764 21.105 1.882 737 HG2 GLN 95 HG2 GLN 95 -2.363 19.289 3.431 738 HG3 GLN 95 HG1 GLN 95 -0.648 19.325 3.033 739 HE21 GLN 95 HE21 GLN 95 -1.941 19.858 5.593 740 HE22 GLN 95 HE22 GLN 95 -1.471 21.441 6.054 741 H VAL 96 H VAL 96 -1.545 17.484 1.953 742 HA VAL 96 HA VAL 96 1.077 16.911 1.044 743 HB VAL 96 HB VAL 96 -0.984 15.094 2.335 744 HG11 VAL 96 HG11 VAL 96 0.953 13.699 3.011 745 HG12 VAL 96 HG12 VAL 96 1.956 14.665 1.898 746 HG13 VAL 96 HG13 VAL 96 0.631 13.690 1.276 747 HG21 VAL 96 HG21 VAL 96 -0.371 17.001 3.697 748 HG22 VAL 96 HG22 VAL 96 1.343 16.584 3.547 749 HG23 VAL 96 HG23 VAL 96 0.236 15.509 4.401 750 H GLN 97 H GLN 97 -2.004 16.291 -0.351 751 HA GLN 97 HA GLN 97 -1.687 14.029 -1.868 752 HB2 GLN 97 HB2 GLN 97 -3.770 15.339 -1.892 753 HB3 GLN 97 HB1 GLN 97 -2.963 16.579 -2.848 754 HG2 GLN 97 HG2 GLN 97 -2.615 14.957 -4.657 755 HG3 GLN 97 HG1 GLN 97 -3.455 13.734 -3.714 756 HE21 GLN 97 HE21 GLN 97 -4.063 14.757 -6.321 757 HE22 GLN 97 HE22 GLN 97 -5.656 15.408 -6.255 758 H GLN 98 H GLN 98 -0.528 17.274 -2.777 759 HA GLN 98 HA GLN 98 0.434 16.675 -5.334 760 HB2 GLN 98 HB2 GLN 98 1.766 18.688 -5.180 761 HB3 GLN 98 HB1 GLN 98 0.191 18.975 -4.453 762 HG2 GLN 98 HG2 GLN 98 1.110 18.731 -2.262 763 HG3 GLN 98 HG1 GLN 98 2.687 18.310 -2.912 764 HE21 GLN 98 HE21 GLN 98 3.934 19.931 -3.908 765 HE22 GLN 98 HE22 GLN 98 3.661 21.597 -3.587 766 H MET 99 H MET 99 1.713 15.772 -2.280 767 HA MET 99 HA MET 99 4.361 15.445 -3.443 768 HB2 MET 99 HB2 MET 99 3.569 16.565 -1.073 769 HB3 MET 99 HB1 MET 99 4.043 14.942 -0.613 770 HG2 MET 99 HG2 MET 99 5.850 16.489 -0.379 771 HG3 MET 99 HG1 MET 99 6.217 15.215 -1.554 772 HE1 MET 99 HE1 MET 99 8.117 18.349 -3.018 773 HE2 MET 99 HE2 MET 99 8.267 16.670 -2.504 774 HE3 MET 99 HE3 MET 99 7.915 17.928 -1.317 775 H VAL 100 H VAL 100 1.945 13.789 -1.516 776 HA VAL 100 HA VAL 100 3.333 11.328 -1.564 777 HB VAL 100 HB VAL 100 1.665 11.749 0.169 778 HG11 VAL 100 HG11 VAL 100 0.153 13.068 -1.068 779 HG12 VAL 100 HG12 VAL 100 -0.719 11.731 -0.296 780 HG13 VAL 100 HG13 VAL 100 -0.359 11.685 -2.036 781 HG21 VAL 100 HG21 VAL 100 2.109 9.426 -0.338 782 HG22 VAL 100 HG22 VAL 100 0.887 9.461 -1.608 783 HG23 VAL 100 HG23 VAL 100 0.399 9.627 0.084 784 H LYS 101 H LYS 101 1.263 12.866 -3.884 785 HA LYS 101 HA LYS 101 0.666 10.574 -5.399 786 HB2 LYS 101 HB2 LYS 101 0.041 12.078 -7.197 787 HB3 LYS 101 HB1 LYS 101 -0.517 12.693 -5.639 788 HG2 LYS 101 HG2 LYS 101 0.174 14.606 -6.692 789 HG3 LYS 101 HG1 LYS 101 1.584 14.158 -5.740 790 HD2 LYS 101 HD2 LYS 101 2.629 13.190 -7.737 791 HD3 LYS 101 HD1 LYS 101 1.202 13.608 -8.692 792 HE2 LYS 101 HE2 LYS 101 1.564 15.981 -8.135 793 HE3 LYS 101 HE1 LYS 101 3.020 15.531 -7.258 794 HZ1 LYS 101 HZ1 LYS 101 3.931 14.681 -9.395 795 HZ2 LYS 101 HZ2 LYS 101 3.596 16.313 -9.393 796 HZ3 LYS 101 HZ3 LYS 101 2.542 15.265 -10.172 797 H LYS 102 H LYS 102 3.565 12.385 -5.046 798 HA LYS 102 HA LYS 102 4.856 11.656 -7.424 799 HB2 LYS 102 HB2 LYS 102 5.879 12.353 -4.692 800 HB3 LYS 102 HB1 LYS 102 6.896 12.160 -6.114 801 HG2 LYS 102 HG2 LYS 102 5.920 14.060 -7.176 802 HG3 LYS 102 HG1 LYS 102 4.615 14.114 -5.997 803 HD2 LYS 102 HD2 LYS 102 6.355 15.851 -5.646 804 HD3 LYS 102 HD1 LYS 102 6.112 14.787 -4.264 805 HE2 LYS 102 HE2 LYS 102 8.410 15.171 -4.567 806 HE3 LYS 102 HE1 LYS 102 8.072 13.498 -4.919 807 HZ1 LYS 102 HZ1 LYS 102 9.588 14.403 -6.562 808 HZ2 LYS 102 HZ2 LYS 102 8.499 15.619 -6.972 809 HZ3 LYS 102 HZ3 LYS 102 8.135 14.001 -7.303 810 H ALA 103 H ALA 103 4.260 10.015 -4.403 811 HA ALA 103 HA ALA 103 6.138 7.921 -4.635 812 HB1 ALA 103 HB1 ALA 103 4.666 6.659 -3.120 813 HB2 ALA 103 HB2 ALA 103 3.404 7.873 -3.354 814 HB3 ALA 103 HB3 ALA 103 4.911 8.312 -2.557 815 H GLN 104 H GLN 104 2.983 8.463 -5.999 816 HA GLN 104 HA GLN 104 2.532 5.838 -7.016 817 HB2 GLN 104 HB2 GLN 104 1.444 8.484 -7.997 818 HB3 GLN 104 HB1 GLN 104 0.780 6.901 -8.363 819 HG2 GLN 104 HG2 GLN 104 0.227 6.604 -5.972 820 HG3 GLN 104 HG1 GLN 104 0.882 8.203 -5.646 821 HE21 GLN 104 HE21 GLN 104 -1.125 8.962 -4.875 822 HE22 GLN 104 HE22 GLN 104 -2.436 9.279 -5.940 823 H MET 105 H MET 105 4.537 8.399 -7.936 824 HA MET 105 HA MET 105 4.757 7.622 -10.739 825 HB2 MET 105 HB2 MET 105 6.341 9.747 -9.372 826 HB3 MET 105 HB1 MET 105 5.953 9.617 -11.075 827 HG2 MET 105 HG2 MET 105 3.575 9.983 -10.567 828 HG3 MET 105 HG1 MET 105 3.981 10.225 -8.886 829 HE1 MET 105 HE1 MET 105 5.763 11.491 -12.198 830 HE2 MET 105 HE2 MET 105 5.027 13.092 -12.334 831 HE3 MET 105 HE3 MET 105 4.027 11.647 -12.462 832 H LEU 106 H LEU 106 6.167 6.952 -7.766 833 HA LEU 106 HA LEU 106 8.876 6.680 -8.262 834 HB2 LEU 106 HB2 LEU 106 7.010 5.565 -6.278 835 HB3 LEU 106 HB1 LEU 106 8.390 4.559 -6.605 836 HG LEU 106 HG LEU 106 8.597 6.145 -4.623 837 HD11 LEU 106 HD11 LEU 106 10.657 6.266 -6.811 838 HD12 LEU 106 HD12 LEU 106 10.498 4.998 -5.595 839 HD13 LEU 106 HD13 LEU 106 10.941 6.635 -5.112 840 HD21 LEU 106 HD21 LEU 106 9.100 8.180 -6.797 841 HD22 LEU 106 HD22 LEU 106 9.222 8.438 -5.057 842 HD23 LEU 106 HD23 LEU 106 7.653 8.142 -5.804 843 HA PRO 107 HA PRO 107 8.133 2.195 -9.940 844 HB2 PRO 107 HB2 PRO 107 5.787 1.964 -11.387 845 HB3 PRO 107 HB1 PRO 107 6.032 1.322 -9.762 846 HG2 PRO 107 HG2 PRO 107 4.722 3.860 -10.617 847 HG3 PRO 107 HG1 PRO 107 4.244 2.721 -9.344 848 HD2 PRO 107 HD2 PRO 107 5.482 5.020 -8.760 849 HD3 PRO 107 HD1 PRO 107 5.834 3.536 -7.856 850 H ASN 108 H ASN 108 6.891 5.170 -11.511 851 HA ASN 108 HA ASN 108 7.636 4.344 -14.104 852 HB2 ASN 108 HB2 ASN 108 6.968 7.042 -12.931 853 HB3 ASN 108 HB1 ASN 108 7.076 6.641 -14.633 854 HD21 ASN 108 HD21 ASN 108 5.378 5.455 -15.586 855 HD22 ASN 108 HD22 ASN 108 3.867 5.264 -14.784 856 H GLN 109 H GLN 109 8.954 6.220 -11.473 857 HA GLN 109 HA GLN 109 11.209 7.283 -12.883 858 HB2 GLN 109 HB2 GLN 109 10.634 7.009 -9.931 859 HB3 GLN 109 HB1 GLN 109 12.002 7.883 -10.594 860 HG2 GLN 109 HG2 GLN 109 10.549 9.490 -11.624 861 HG3 GLN 109 HG1 GLN 109 9.128 8.549 -11.174 862 HE21 GLN 109 HE21 GLN 109 8.312 10.331 -10.101 863 HE22 GLN 109 HE22 GLN 109 8.872 10.833 -8.544 864 H CYS 110 H CYS 110 10.778 4.666 -10.546 865 HA CYS 110 HA CYS 110 13.580 3.982 -10.579 866 HB2 CYS 110 HB2 CYS 110 12.183 3.956 -8.510 867 HB3 CYS 110 HB1 CYS 110 11.253 2.642 -9.173 868 H ASN 111 H ASN 111 11.099 3.322 -12.656 869 HA ASN 111 HA ASN 111 10.796 1.937 -14.407 870 HB2 ASN 111 HB2 ASN 111 13.233 2.347 -14.798 871 HB3 ASN 111 HB1 ASN 111 13.624 0.967 -13.792 872 HD21 ASN 111 HD21 ASN 111 12.257 1.974 -16.848 873 HD22 ASN 111 HD22 ASN 111 12.436 0.458 -17.644 874 H LEU 112 H LEU 112 9.665 1.230 -12.147 875 HA LEU 112 HA LEU 112 10.190 -1.554 -11.533 876 HB2 LEU 112 HB2 LEU 112 7.963 0.221 -10.525 877 HB3 LEU 112 HB1 LEU 112 8.419 -1.338 -9.872 878 HG LEU 112 HG LEU 112 10.092 1.160 -9.816 879 HD11 LEU 112 HD11 LEU 112 8.697 -0.323 -7.592 880 HD12 LEU 112 HD12 LEU 112 8.324 1.307 -8.164 881 HD13 LEU 112 HD13 LEU 112 9.846 0.978 -7.358 882 HD21 LEU 112 HD21 LEU 112 10.707 -1.587 -8.744 883 HD22 LEU 112 HD22 LEU 112 11.670 -0.132 -8.471 884 HD23 LEU 112 HD23 LEU 112 11.503 -0.779 -10.095 885 H GLN 113 H GLN 113 8.477 -3.153 -11.627 886 HA GLN 113 HA GLN 113 7.415 -3.363 -14.300 887 HB2 GLN 113 HB2 GLN 113 7.122 -5.162 -11.908 888 HB3 GLN 113 HB1 GLN 113 6.705 -5.591 -13.561 889 HG2 GLN 113 HG2 GLN 113 9.409 -4.776 -12.647 890 HG3 GLN 113 HG1 GLN 113 8.884 -6.461 -12.761 891 HE21 GLN 113 HE21 GLN 113 9.830 -3.616 -14.520 892 HE22 GLN 113 HE22 GLN 113 9.967 -4.376 -16.057 893 H CYS 114 H CYS 114 6.166 -1.302 -12.795 894 HA CYS 114 HA CYS 114 3.390 -2.037 -12.949 895 HB2 CYS 114 HB2 CYS 114 4.943 -1.433 -10.557 896 HB3 CYS 114 HB1 CYS 114 3.185 -1.098 -10.473 897 H SER 115 H SER 115 2.121 -0.050 -12.793 898 HA SER 115 HA SER 115 3.542 2.444 -12.678 899 HB2 SER 115 HB2 SER 115 2.365 3.165 -14.814 900 HB3 SER 115 HB1 SER 115 3.639 1.974 -15.049 901 HG SER 115 HG SER 115 0.905 1.770 -15.325 902 H ILE 116 H ILE 116 2.115 4.132 -11.997 903 HA ILE 116 HA ILE 116 -0.500 3.129 -11.218 904 HB ILE 116 HB ILE 116 1.255 5.081 -9.672 905 HG12 ILE 116 HG12 ILE 116 0.403 2.258 -8.997 906 HG13 ILE 116 HG11 ILE 116 1.979 2.679 -9.647 907 HG21 ILE 116 HG21 ILE 116 -1.451 3.884 -9.001 908 HG22 ILE 116 HG22 ILE 116 -1.157 5.565 -9.448 909 HG23 ILE 116 HG23 ILE 116 -0.498 4.925 -7.941 910 HD11 ILE 116 HD11 ILE 116 0.854 3.565 -6.996 911 HD12 ILE 116 HD12 ILE 116 2.470 3.931 -7.638 912 HD13 ILE 116 HD13 ILE 116 2.020 2.269 -7.275 Start of MODEL 4 1 H1 GLY 1 H GLY 1 -13.852 -0.444 6.478 2 H2 GLY 1 HT1 GLY 1 -14.058 -1.571 7.174 3 H3 GLY 1 HT2 GLY 1 -14.765 -1.788 5.675 4 HA2 GLY 1 HA1 GLY 1 -12.613 -1.870 4.624 5 HA3 GLY 1 HA2 GLY 1 -11.873 -1.696 6.213 6 H ARG 2 H ARG 2 -10.846 -3.724 5.796 7 HA ARG 2 HA ARG 2 -12.597 -6.080 5.783 8 HB2 ARG 2 HB2 ARG 2 -9.588 -5.951 5.580 9 HB3 ARG 2 HB1 ARG 2 -10.604 -7.360 5.303 10 HG2 ARG 2 HG2 ARG 2 -11.597 -6.170 3.362 11 HG3 ARG 2 HG1 ARG 2 -10.417 -4.880 3.657 12 HD2 ARG 2 HD2 ARG 2 -9.555 -6.337 1.942 13 HD3 ARG 2 HD1 ARG 2 -8.618 -6.506 3.435 14 HE ARG 2 HE ARG 2 -10.644 -8.434 3.392 15 HH11 ARG 2 HH11 ARG 2 -7.603 -7.753 1.666 16 HH12 ARG 2 HH12 ARG 2 -7.259 -9.404 1.414 17 HH21 ARG 2 HH21 ARG 2 -10.163 -10.648 2.968 18 HH22 ARG 2 HH22 ARG 2 -8.737 -11.055 2.123 19 H CYS 3 H CYS 3 -12.565 -7.522 7.438 20 HA CYS 3 HA CYS 3 -11.233 -6.545 9.876 21 HB2 CYS 3 HB2 CYS 3 -13.945 -7.851 9.804 22 HB3 CYS 3 HB1 CYS 3 -13.114 -7.168 11.182 23 H THR 4 H THR 4 -10.435 -7.998 11.291 24 HA THR 4 HA THR 4 -9.660 -10.538 10.232 25 HB THR 4 HB THR 4 -8.419 -10.739 12.376 26 HG1 THR 4 HG1 THR 4 -8.573 -9.186 13.882 27 HG21 THR 4 HG21 THR 4 -7.374 -9.476 10.533 28 HG22 THR 4 HG22 THR 4 -6.955 -8.781 12.107 29 HG23 THR 4 HG23 THR 4 -8.173 -8.008 11.105 30 H LYS 5 H LYS 5 -9.959 -12.560 11.494 31 HA LYS 5 HA LYS 5 -12.674 -12.760 12.487 32 HB2 LYS 5 HB2 LYS 5 -10.586 -14.915 12.027 33 HB3 LYS 5 HB1 LYS 5 -12.171 -15.235 12.690 34 HG2 LYS 5 HG2 LYS 5 -12.218 -15.850 10.399 35 HG3 LYS 5 HG1 LYS 5 -13.144 -14.361 10.549 36 HD2 LYS 5 HD2 LYS 5 -11.228 -13.089 9.711 37 HD3 LYS 5 HD1 LYS 5 -10.288 -14.576 9.595 38 HE2 LYS 5 HE2 LYS 5 -11.182 -13.933 7.417 39 HE3 LYS 5 HE1 LYS 5 -11.872 -15.460 7.960 40 HZ1 LYS 5 HZ1 LYS 5 -13.534 -13.988 7.000 41 HZ2 LYS 5 HZ2 LYS 5 -13.203 -12.811 8.153 42 HZ3 LYS 5 HZ3 LYS 5 -13.876 -14.274 8.619 43 H SER 6 H SER 6 -12.064 -11.350 14.279 44 HA SER 6 HA SER 6 -11.267 -12.955 16.573 45 HB2 SER 6 HB2 SER 6 -9.227 -11.773 15.744 46 HB3 SER 6 HB1 SER 6 -10.068 -10.239 15.942 47 HG SER 6 HG SER 6 -9.210 -10.323 17.833 48 H ILE 7 H ILE 7 -11.743 -11.615 18.625 49 HA ILE 7 HA ILE 7 -14.037 -9.853 18.232 50 HB ILE 7 HB ILE 7 -13.778 -12.064 20.301 51 HG12 ILE 7 HG12 ILE 7 -14.400 -12.773 17.997 52 HG13 ILE 7 HG11 ILE 7 -15.648 -13.153 19.194 53 HG21 ILE 7 HG21 ILE 7 -14.846 -10.107 21.277 54 HG22 ILE 7 HG22 ILE 7 -16.014 -11.413 21.079 55 HG23 ILE 7 HG23 ILE 7 -16.006 -10.058 19.950 56 HD11 ILE 7 HD11 ILE 7 -16.624 -12.359 17.129 57 HD12 ILE 7 HD12 ILE 7 -15.634 -10.901 17.183 58 HD13 ILE 7 HD13 ILE 7 -16.887 -11.163 18.398 59 HA PRO 8 HA PRO 8 -14.475 -7.979 18.530 60 HB2 PRO 8 HB2 PRO 8 -13.096 -5.427 18.568 61 HB3 PRO 8 HB1 PRO 8 -14.694 -5.806 19.188 62 HG2 PRO 8 HG2 PRO 8 -12.573 -5.165 20.793 63 HG3 PRO 8 HG1 PRO 8 -13.944 -6.159 21.313 64 HD2 PRO 8 HD2 PRO 8 -11.214 -6.999 20.436 65 HD3 PRO 8 HD1 PRO 8 -12.225 -7.642 21.747 66 HA PRO 9 HA PRO 9 -11.960 -8.719 15.020 67 HB2 PRO 9 HB2 PRO 9 -13.399 -7.448 13.076 68 HB3 PRO 9 HB1 PRO 9 -13.874 -9.001 13.778 69 HG2 PRO 9 HG2 PRO 9 -14.766 -6.237 14.489 70 HG3 PRO 9 HG1 PRO 9 -15.775 -7.682 14.214 71 HD2 PRO 9 HD2 PRO 9 -15.193 -6.867 16.680 72 HD3 PRO 9 HD1 PRO 9 -15.181 -8.601 16.285 73 H ILE 10 H ILE 10 -10.254 -7.706 13.905 74 HA ILE 10 HA ILE 10 -9.903 -4.854 14.416 75 HB ILE 10 HB ILE 10 -7.964 -6.799 13.109 76 HG12 ILE 10 HG12 ILE 10 -8.427 -7.550 15.385 77 HG13 ILE 10 HG11 ILE 10 -6.791 -6.904 15.281 78 HG21 ILE 10 HG21 ILE 10 -7.510 -4.461 12.602 79 HG22 ILE 10 HG22 ILE 10 -6.260 -5.111 13.662 80 HG23 ILE 10 HG23 ILE 10 -7.519 -4.067 14.321 81 HD11 ILE 10 HD11 ILE 10 -9.207 -5.527 16.375 82 HD12 ILE 10 HD12 ILE 10 -7.582 -4.833 16.292 83 HD13 ILE 10 HD13 ILE 10 -7.898 -6.237 17.328 84 H CYS 11 H CYS 11 -10.591 -3.532 12.897 85 HA CYS 11 HA CYS 11 -10.860 -4.639 10.220 86 HB2 CYS 11 HB2 CYS 11 -12.302 -2.289 11.451 87 HB3 CYS 11 HB1 CYS 11 -12.541 -2.909 9.820 88 H PHE 12 H PHE 12 -9.618 -4.035 8.750 89 HA PHE 12 HA PHE 12 -7.892 -1.727 9.129 90 HB2 PHE 12 HB2 PHE 12 -7.653 -4.212 7.477 91 HB3 PHE 12 HB1 PHE 12 -6.644 -2.799 7.189 92 HD1 PHE 12 HD1 PHE 12 -7.076 -5.784 9.127 93 HD2 PHE 12 HD2 PHE 12 -5.289 -1.930 9.154 94 HE1 PHE 12 HE1 PHE 12 -5.556 -6.508 10.914 95 HE2 PHE 12 HE2 PHE 12 -3.781 -2.623 10.926 96 HZ PHE 12 HZ PHE 12 -3.894 -4.931 11.824 97 HA PRO 13 HA PRO 13 -10.126 0.300 5.956 98 HB2 PRO 13 HB2 PRO 13 -8.467 2.335 5.452 99 HB3 PRO 13 HB1 PRO 13 -9.353 2.206 6.981 100 HG2 PRO 13 HG2 PRO 13 -6.492 1.618 6.384 101 HG3 PRO 13 HG1 PRO 13 -7.209 2.332 7.836 102 HD2 PRO 13 HD2 PRO 13 -6.439 -0.324 7.558 103 HD3 PRO 13 HD1 PRO 13 -7.560 0.275 8.784 104 H ASP 14 H ASP 14 -7.238 -1.304 5.292 105 HA ASP 14 HA ASP 14 -7.670 -0.847 2.457 106 HB2 ASP 14 HB2 ASP 14 -5.995 0.762 3.311 107 HB3 ASP 14 HB1 ASP 14 -5.016 -0.568 3.883 108 H GLY 15 H GLY 15 -5.443 -2.407 1.610 109 HA2 GLY 15 HA2 GLY 15 -4.704 -4.579 1.518 110 HA3 GLY 15 HA1 GLY 15 -5.763 -4.975 2.884 111 H LEU 16 H LEU 16 -6.911 -3.262 0.186 112 HA LEU 16 HA LEU 16 -8.671 -5.521 -0.415 113 HB2 LEU 16 HB2 LEU 16 -10.287 -4.008 -1.266 114 HB3 LEU 16 HB1 LEU 16 -9.732 -3.390 0.269 115 HG LEU 16 HG LEU 16 -8.942 -2.303 -2.445 116 HD11 LEU 16 HD11 LEU 16 -10.768 -1.261 -0.335 117 HD12 LEU 16 HD12 LEU 16 -11.254 -1.900 -1.914 118 HD13 LEU 16 HD13 LEU 16 -10.317 -0.397 -1.805 119 HD21 LEU 16 HD21 LEU 16 -8.368 -1.240 0.322 120 HD22 LEU 16 HD22 LEU 16 -8.030 -0.409 -1.200 121 HD23 LEU 16 HD23 LEU 16 -7.190 -1.907 -0.812 122 H ASP 17 H ASP 17 -6.106 -3.725 -1.716 123 HA ASP 17 HA ASP 17 -6.589 -5.023 -4.297 124 HB2 ASP 17 HB2 ASP 17 -6.831 -2.618 -4.616 125 HB3 ASP 17 HB1 ASP 17 -5.296 -2.334 -3.809 126 H ASN 18 H ASN 18 -5.283 -6.630 -4.414 127 HA ASN 18 HA ASN 18 -2.497 -6.215 -3.640 128 HB2 ASN 18 HB2 ASN 18 -4.140 -8.686 -2.997 129 HB3 ASN 18 HB1 ASN 18 -2.405 -8.546 -2.775 130 HD21 ASN 18 HD21 ASN 18 -5.511 -7.691 -1.574 131 HD22 ASN 18 HD22 ASN 18 -5.005 -7.013 -0.069 132 HA PRO 19 HA PRO 19 -2.442 -7.778 -7.911 133 HB2 PRO 19 HB2 PRO 19 0.342 -6.719 -7.616 134 HB3 PRO 19 HB1 PRO 19 -0.824 -6.437 -8.912 135 HG2 PRO 19 HG2 PRO 19 -0.296 -4.528 -7.158 136 HG3 PRO 19 HG1 PRO 19 -1.961 -4.808 -7.702 137 HD2 PRO 19 HD2 PRO 19 -0.638 -5.675 -5.158 138 HD3 PRO 19 HD1 PRO 19 -2.246 -4.947 -5.400 139 H ARG 20 H ARG 20 0.086 -7.975 -5.432 140 HA ARG 20 HA ARG 20 0.142 -10.904 -5.874 141 HB2 ARG 20 HB2 ARG 20 2.521 -9.315 -4.824 142 HB3 ARG 20 HB1 ARG 20 2.470 -11.035 -5.129 143 HG2 ARG 20 HG2 ARG 20 3.744 -10.127 -6.860 144 HG3 ARG 20 HG1 ARG 20 2.153 -10.416 -7.580 145 HD2 ARG 20 HD2 ARG 20 1.554 -8.128 -7.141 146 HD3 ARG 20 HD1 ARG 20 3.136 -7.815 -6.464 147 HE ARG 20 HE ARG 20 3.427 -8.837 -9.056 148 HH11 ARG 20 HH11 ARG 20 2.339 -5.826 -7.405 149 HH12 ARG 20 HH12 ARG 20 2.779 -4.847 -8.709 150 HH21 ARG 20 HH21 ARG 20 3.974 -7.402 -10.836 151 HH22 ARG 20 HH22 ARG 20 3.675 -5.727 -10.676 152 H GLY 21 H GLY 21 0.723 -8.209 -3.703 153 HA2 GLY 21 HA2 GLY 21 -0.207 -7.996 -1.566 154 HA3 GLY 21 HA1 GLY 21 -0.529 -9.752 -1.585 155 H CYS 22 H CYS 22 2.333 -8.122 -2.456 156 HA CYS 22 HA CYS 22 3.998 -9.697 -0.820 157 HB2 CYS 22 HB2 CYS 22 4.346 -7.163 -2.336 158 HB3 CYS 22 HB1 CYS 22 5.661 -7.854 -1.436 159 H GLN 23 H GLN 23 4.724 -9.307 1.188 160 HA GLN 23 HA GLN 23 3.805 -6.849 2.414 161 HB2 GLN 23 HB2 GLN 23 4.278 -7.914 4.577 162 HB3 GLN 23 HB1 GLN 23 3.098 -8.806 3.611 163 HG2 GLN 23 HG2 GLN 23 4.963 -10.335 2.953 164 HG3 GLN 23 HG1 GLN 23 5.984 -9.501 4.117 165 HE21 GLN 23 HE21 GLN 23 5.128 -12.281 4.103 166 HE22 GLN 23 HE22 GLN 23 4.320 -12.528 5.608 167 H ILE 24 H ILE 24 5.112 -5.294 2.531 168 HA ILE 24 HA ILE 24 7.994 -5.806 2.436 169 HB ILE 24 HB ILE 24 6.613 -3.305 1.347 170 HG12 ILE 24 HG12 ILE 24 7.476 -4.309 -0.921 171 HG13 ILE 24 HG11 ILE 24 7.380 -5.833 -0.055 172 HG21 ILE 24 HG21 ILE 24 9.418 -4.318 0.961 173 HG22 ILE 24 HG22 ILE 24 8.940 -2.940 1.971 174 HG23 ILE 24 HG23 ILE 24 8.702 -2.899 0.214 175 HD11 ILE 24 HD11 ILE 24 5.124 -3.916 -0.539 176 HD12 ILE 24 HD12 ILE 24 5.020 -5.416 0.382 177 HD13 ILE 24 HD13 ILE 24 5.397 -5.464 -1.338 178 H ARG 25 H ARG 25 9.239 -4.625 3.935 179 HA ARG 25 HA ARG 25 7.802 -3.969 6.253 180 HB2 ARG 25 HB2 ARG 25 9.972 -3.415 7.239 181 HB3 ARG 25 HB1 ARG 25 9.979 -4.993 6.463 182 HG2 ARG 25 HG2 ARG 25 11.078 -3.854 4.501 183 HG3 ARG 25 HG1 ARG 25 11.201 -2.427 5.524 184 HD2 ARG 25 HD2 ARG 25 12.447 -3.748 7.179 185 HD3 ARG 25 HD1 ARG 25 12.400 -5.129 6.081 186 HE ARG 25 HE ARG 25 13.756 -2.583 5.597 187 HH11 ARG 25 HH11 ARG 25 13.490 -6.064 4.995 188 HH12 ARG 25 HH12 ARG 25 14.826 -6.140 3.968 189 HH21 ARG 25 HH21 ARG 25 15.602 -2.674 4.199 190 HH22 ARG 25 HH22 ARG 25 16.075 -4.145 3.515 191 H ILE 26 H ILE 26 6.926 -2.205 6.859 192 HA ILE 26 HA ILE 26 6.852 0.043 5.214 193 HB ILE 26 HB ILE 26 5.571 1.176 7.037 194 HG12 ILE 26 HG12 ILE 26 4.747 -0.363 8.929 195 HG13 ILE 26 HG11 ILE 26 6.102 -1.405 8.551 196 HG21 ILE 26 HG21 ILE 26 4.458 -0.103 5.353 197 HG22 ILE 26 HG22 ILE 26 3.648 -0.342 6.908 198 HG23 ILE 26 HG23 ILE 26 4.724 -1.589 6.269 199 HD11 ILE 26 HD11 ILE 26 7.639 0.400 9.152 200 HD12 ILE 26 HD12 ILE 26 6.553 -0.009 10.482 201 HD13 ILE 26 HD13 ILE 26 6.262 1.439 9.516 202 H GLN 27 H GLN 27 9.123 -0.809 7.490 203 HA GLN 27 HA GLN 27 9.884 1.826 8.316 204 HB2 GLN 27 HB2 GLN 27 11.779 0.776 9.385 205 HB3 GLN 27 HB1 GLN 27 10.336 -0.203 9.647 206 HG2 GLN 27 HG2 GLN 27 11.019 -1.806 8.041 207 HG3 GLN 27 HG1 GLN 27 12.338 -0.783 7.491 208 HE21 GLN 27 HE21 GLN 27 14.185 -0.622 8.751 209 HE22 GLN 27 HE22 GLN 27 14.554 -1.755 9.984 210 H GLN 28 H GLN 28 10.378 -0.039 5.490 211 HA GLN 28 HA GLN 28 12.858 1.342 4.912 212 HB2 GLN 28 HB2 GLN 28 13.248 -0.191 3.165 213 HB3 GLN 28 HB1 GLN 28 12.444 -1.109 4.427 214 HG2 GLN 28 HG2 GLN 28 10.534 -1.405 3.249 215 HG3 GLN 28 HG1 GLN 28 10.783 0.053 2.289 216 HE21 GLN 28 HE21 GLN 28 13.387 -2.223 2.693 217 HE22 GLN 28 HE22 GLN 28 13.336 -2.792 1.062 218 H LEU 29 H LEU 29 9.522 1.602 4.323 219 HA LEU 29 HA LEU 29 9.960 3.395 2.040 220 HB2 LEU 29 HB2 LEU 29 7.374 2.443 3.246 221 HB3 LEU 29 HB1 LEU 29 7.507 3.600 1.943 222 HG LEU 29 HG LEU 29 7.000 1.695 0.831 223 HD11 LEU 29 HD11 LEU 29 8.939 2.672 -0.136 224 HD12 LEU 29 HD12 LEU 29 9.014 0.917 -0.352 225 HD13 LEU 29 HD13 LEU 29 9.993 1.715 0.891 226 HD21 LEU 29 HD21 LEU 29 8.780 0.169 2.715 227 HD22 LEU 29 HD22 LEU 29 7.932 -0.551 1.341 228 HD23 LEU 29 HD23 LEU 29 7.019 0.161 2.678 229 H ASN 30 H ASN 30 10.157 3.555 5.122 230 HA ASN 30 HA ASN 30 8.612 5.601 6.138 231 HB2 ASN 30 HB2 ASN 30 10.149 4.236 7.475 232 HB3 ASN 30 HB1 ASN 30 11.512 5.011 6.683 233 HD21 ASN 30 HD21 ASN 30 12.396 5.879 8.447 234 HD22 ASN 30 HD22 ASN 30 11.687 7.133 9.399 235 H HIS 31 H HIS 31 11.509 5.847 4.094 236 HA HIS 31 HA HIS 31 11.831 8.653 4.657 237 HB2 HIS 31 HB2 HIS 31 13.657 6.999 3.701 238 HB3 HIS 31 HB1 HIS 31 12.838 7.381 2.176 239 HD1 HIS 31 HD1 HIS 31 15.746 8.349 3.770 240 HD2 HIS 31 HD2 HIS 31 12.626 10.453 2.019 241 HE1 HIS 31 HE1 HIS 31 16.692 10.549 3.114 242 H CYS 32 H CYS 32 10.701 6.787 1.843 243 HA CYS 32 HA CYS 32 9.838 8.924 0.304 244 HB2 CYS 32 HB2 CYS 32 9.394 6.026 0.367 245 HB3 CYS 32 HB1 CYS 32 8.059 6.930 -0.376 246 H GLN 33 H GLN 33 7.976 6.955 2.620 247 HA GLN 33 HA GLN 33 5.582 8.203 2.531 248 HB2 GLN 33 HB2 GLN 33 5.891 6.211 3.713 249 HB3 GLN 33 HB1 GLN 33 7.122 6.924 4.750 250 HG2 GLN 33 HG2 GLN 33 5.474 8.438 5.583 251 HG3 GLN 33 HG1 GLN 33 4.190 7.553 4.728 252 HE21 GLN 33 HE21 GLN 33 3.143 6.879 6.622 253 HE22 GLN 33 HE22 GLN 33 3.838 5.779 7.743 254 H MET 34 H MET 34 8.236 8.928 4.852 255 HA MET 34 HA MET 34 6.799 11.043 6.062 256 HB2 MET 34 HB2 MET 34 8.806 11.629 7.277 257 HB3 MET 34 HB1 MET 34 8.555 9.883 7.313 258 HG2 MET 34 HG2 MET 34 10.295 9.613 5.635 259 HG3 MET 34 HG1 MET 34 10.512 11.358 5.553 260 HE1 MET 34 HE1 MET 34 11.522 12.809 7.455 261 HE2 MET 34 HE2 MET 34 12.072 12.192 9.007 262 HE3 MET 34 HE3 MET 34 10.348 12.223 8.638 263 H HIS 35 H HIS 35 9.229 11.014 3.588 264 HA HIS 35 HA HIS 35 9.720 13.812 3.556 265 HB2 HIS 35 HB2 HIS 35 11.107 11.899 2.528 266 HB3 HIS 35 HB1 HIS 35 10.010 12.006 1.163 267 HD1 HIS 35 HD1 HIS 35 9.894 15.126 0.905 268 HD2 HIS 35 HD2 HIS 35 13.327 12.889 1.521 269 HE1 HIS 35 HE1 HIS 35 11.800 16.547 0.030 270 H LEU 36 H LEU 36 7.267 11.805 2.140 271 HA LEU 36 HA LEU 36 6.376 13.947 0.440 272 HB2 LEU 36 HB2 LEU 36 5.253 11.204 0.881 273 HB3 LEU 36 HB1 LEU 36 4.605 12.379 -0.257 274 HG LEU 36 HG LEU 36 7.335 11.106 -0.334 275 HD11 LEU 36 HD11 LEU 36 4.974 10.743 -2.145 276 HD12 LEU 36 HD12 LEU 36 5.577 9.587 -0.955 277 HD13 LEU 36 HD13 LEU 36 6.565 10.013 -2.352 278 HD21 LEU 36 HD21 LEU 36 6.093 13.057 -2.267 279 HD22 LEU 36 HD22 LEU 36 7.601 12.187 -2.525 280 HD23 LEU 36 HD23 LEU 36 7.482 13.362 -1.219 281 H THR 37 H THR 37 5.474 12.613 3.561 282 HA THR 37 HA THR 37 3.100 14.237 3.468 283 HB THR 37 HB THR 37 2.665 13.398 5.747 284 HG1 THR 37 HG1 THR 37 4.326 11.420 5.965 285 HG21 THR 37 HG21 THR 37 1.902 12.139 3.809 286 HG22 THR 37 HG22 THR 37 2.372 11.048 5.113 287 HG23 THR 37 HG23 THR 37 3.453 11.308 3.744 288 H SER 38 H SER 38 6.295 14.638 4.327 289 HA SER 38 HA SER 38 5.730 16.801 6.156 290 HB2 SER 38 HB2 SER 38 8.183 16.949 6.491 291 HB3 SER 38 HB1 SER 38 7.512 15.367 6.879 292 HG SER 38 HG SER 38 8.344 14.545 5.122 293 H PHE 39 H PHE 39 6.038 18.861 5.838 294 HA PHE 39 HA PHE 39 7.194 19.705 3.309 295 HB2 PHE 39 HB2 PHE 39 4.908 21.012 4.830 296 HB3 PHE 39 HB1 PHE 39 5.730 21.739 3.452 297 HD1 PHE 39 HD1 PHE 39 5.640 20.573 1.243 298 HD2 PHE 39 HD2 PHE 39 3.155 19.477 4.513 299 HE1 PHE 39 HE1 PHE 39 4.124 19.417 -0.307 300 HE2 PHE 39 HE2 PHE 39 1.634 18.319 2.970 301 HZ PHE 39 HZ PHE 39 2.124 18.291 0.553 302 H ASP 40 H ASP 40 9.128 19.792 4.153 303 HA ASP 40 HA ASP 40 9.717 20.925 6.726 304 HB2 ASP 40 HB2 ASP 40 10.923 19.024 5.379 305 HB3 ASP 40 HB1 ASP 40 11.786 20.375 4.650 306 H TYR 41 H TYR 41 11.683 22.384 6.724 307 HA TYR 41 HA TYR 41 10.723 24.829 5.435 308 HB2 TYR 41 HB2 TYR 41 11.737 25.978 7.404 309 HB3 TYR 41 HB1 TYR 41 10.448 24.813 7.737 310 HD1 TYR 41 HD1 TYR 41 10.735 23.089 9.276 311 HD2 TYR 41 HD2 TYR 41 14.148 25.137 7.810 312 HE1 TYR 41 HE1 TYR 41 12.152 21.893 10.902 313 HE2 TYR 41 HE2 TYR 41 15.562 23.942 9.392 314 HH TYR 41 HH TYR 41 15.352 22.832 11.538 315 H LYS 42 H LYS 42 13.540 22.817 6.006 316 HA LYS 42 HA LYS 42 15.239 24.945 5.055 317 HB2 LYS 42 HB2 LYS 42 17.089 23.797 5.873 318 HB3 LYS 42 HB1 LYS 42 15.761 23.283 6.908 319 HG2 LYS 42 HG2 LYS 42 16.887 21.650 4.625 320 HG3 LYS 42 HG1 LYS 42 17.348 21.457 6.317 321 HD2 LYS 42 HD2 LYS 42 14.967 20.996 6.793 322 HD3 LYS 42 HD1 LYS 42 14.664 20.990 5.060 323 HE2 LYS 42 HE2 LYS 42 16.320 19.171 4.778 324 HE3 LYS 42 HE1 LYS 42 16.572 19.151 6.521 325 HZ1 LYS 42 HZ1 LYS 42 14.138 18.596 6.724 326 HZ2 LYS 42 HZ2 LYS 42 15.094 17.423 6.048 327 HZ3 LYS 42 HZ3 LYS 42 14.104 18.350 5.051 328 H LEU 43 H LEU 43 13.268 23.256 3.466 329 HA LEU 43 HA LEU 43 14.743 22.185 1.270 330 HB2 LEU 43 HB2 LEU 43 11.914 23.235 1.378 331 HB3 LEU 43 HB1 LEU 43 12.582 22.219 0.120 332 HG LEU 43 HG LEU 43 12.318 21.367 2.986 333 HD11 LEU 43 HD11 LEU 43 10.126 21.801 2.113 334 HD12 LEU 43 HD12 LEU 43 10.373 20.062 2.240 335 HD13 LEU 43 HD13 LEU 43 10.466 20.857 0.659 336 HD21 LEU 43 HD21 LEU 43 12.593 19.112 2.043 337 HD22 LEU 43 HD22 LEU 43 13.999 20.135 1.761 338 HD23 LEU 43 HD23 LEU 43 12.857 19.823 0.450 339 H ARG 44 H ARG 44 16.232 23.797 0.671 340 HA ARG 44 HA ARG 44 15.213 26.404 -0.163 341 HB2 ARG 44 HB2 ARG 44 18.020 25.323 -0.103 342 HB3 ARG 44 HB1 ARG 44 17.584 26.943 -0.606 343 HG2 ARG 44 HG2 ARG 44 16.750 27.406 1.648 344 HG3 ARG 44 HG1 ARG 44 17.212 25.771 2.141 345 HD2 ARG 44 HD2 ARG 44 19.067 27.887 1.070 346 HD3 ARG 44 HD1 ARG 44 18.941 27.397 2.760 347 HE ARG 44 HE ARG 44 19.624 25.154 1.964 348 HH11 ARG 44 HH11 ARG 44 20.647 28.048 0.159 349 HH12 ARG 44 HH12 ARG 44 22.030 27.301 -0.497 350 HH21 ARG 44 HH21 ARG 44 21.518 24.145 1.027 351 HH22 ARG 44 HH22 ARG 44 22.516 25.033 -0.015 352 H MET 45 H MET 45 16.408 23.450 -1.472 353 HA MET 45 HA MET 45 16.136 24.602 -4.137 354 HB2 MET 45 HB2 MET 45 18.065 22.451 -3.237 355 HB3 MET 45 HB1 MET 45 17.809 22.915 -4.915 356 HG2 MET 45 HG2 MET 45 18.590 25.157 -4.448 357 HG3 MET 45 HG1 MET 45 18.769 24.761 -2.743 358 HE1 MET 45 HE1 MET 45 21.028 26.104 -4.522 359 HE2 MET 45 HE2 MET 45 22.450 25.214 -3.982 360 HE3 MET 45 HE3 MET 45 21.233 25.724 -2.813 361 H ALA 46 H ALA 46 13.953 24.070 -3.643 362 HA ALA 46 HA ALA 46 13.341 21.318 -4.468 363 HB1 ALA 46 HB1 ALA 46 11.321 21.457 -3.085 364 HB2 ALA 46 HB2 ALA 46 11.811 23.060 -2.534 365 HB3 ALA 46 HB3 ALA 46 12.777 21.649 -2.109 366 H VAL 47 H VAL 47 13.775 23.731 -6.009 367 HA VAL 47 HA VAL 47 11.182 24.732 -6.824 368 HB VAL 47 HB VAL 47 13.916 25.228 -8.028 369 HG11 VAL 47 HG11 VAL 47 12.113 25.770 -9.583 370 HG12 VAL 47 HG12 VAL 47 12.916 27.235 -9.017 371 HG13 VAL 47 HG13 VAL 47 11.347 26.782 -8.356 372 HG21 VAL 47 HG21 VAL 47 13.893 25.941 -5.728 373 HG22 VAL 47 HG22 VAL 47 12.377 26.800 -5.980 374 HG23 VAL 47 HG23 VAL 47 13.845 27.363 -6.776 375 H GLU 48 H GLU 48 13.864 23.335 -8.632 376 HA GLU 48 HA GLU 48 12.190 21.427 -10.043 377 HB2 GLU 48 HB2 GLU 48 12.964 22.261 -12.262 378 HB3 GLU 48 HB1 GLU 48 11.911 23.414 -11.454 379 HG2 GLU 48 HG2 GLU 48 13.681 24.850 -10.952 380 HG3 GLU 48 HG1 GLU 48 14.894 23.613 -11.259 381 H ASN 49 H ASN 49 14.240 21.384 -8.167 382 HA ASN 49 HA ASN 49 16.771 21.243 -9.514 383 HB2 ASN 49 HB2 ASN 49 16.034 20.889 -6.616 384 HB3 ASN 49 HB1 ASN 49 17.679 20.885 -7.242 385 HD21 ASN 49 HD21 ASN 49 18.605 22.796 -7.885 386 HD22 ASN 49 HD22 ASN 49 17.905 24.331 -7.527 387 HA PRO 50 HA PRO 50 16.623 16.780 -10.057 388 HB2 PRO 50 HB2 PRO 50 19.366 16.473 -10.244 389 HB3 PRO 50 HB1 PRO 50 18.335 16.945 -11.601 390 HG2 PRO 50 HG2 PRO 50 19.926 18.684 -9.744 391 HG3 PRO 50 HG1 PRO 50 19.815 18.768 -11.517 392 HD2 PRO 50 HD2 PRO 50 18.468 20.439 -10.016 393 HD3 PRO 50 HD1 PRO 50 17.676 19.704 -11.426 394 H LYS 51 H LYS 51 18.262 18.593 -7.685 395 HA LYS 51 HA LYS 51 19.351 16.588 -6.041 396 HB2 LYS 51 HB2 LYS 51 18.429 19.351 -5.338 397 HB3 LYS 51 HB1 LYS 51 19.330 18.253 -4.295 398 HG2 LYS 51 HG2 LYS 51 21.182 18.258 -5.831 399 HG3 LYS 51 HG1 LYS 51 20.300 19.328 -6.926 400 HD2 LYS 51 HD2 LYS 51 21.909 20.540 -5.545 401 HD3 LYS 51 HD1 LYS 51 20.241 21.035 -5.219 402 HE2 LYS 51 HE2 LYS 51 20.170 19.712 -3.218 403 HE3 LYS 51 HE1 LYS 51 21.745 19.006 -3.559 404 HZ1 LYS 51 HZ1 LYS 51 22.694 21.239 -3.290 405 HZ2 LYS 51 HZ2 LYS 51 21.939 20.674 -1.901 406 HZ3 LYS 51 HZ3 LYS 51 21.173 21.837 -2.838 407 H GLN 52 H GLN 52 16.100 17.615 -6.524 408 HA GLN 52 HA GLN 52 15.063 17.020 -3.956 409 HB2 GLN 52 HB2 GLN 52 13.687 17.022 -6.644 410 HB3 GLN 52 HB1 GLN 52 12.880 17.023 -5.082 411 HG2 GLN 52 HG2 GLN 52 13.705 19.195 -4.580 412 HG3 GLN 52 HG1 GLN 52 14.738 19.186 -6.008 413 HE21 GLN 52 HE21 GLN 52 11.465 17.961 -6.005 414 HE22 GLN 52 HE22 GLN 52 10.816 19.211 -6.993 415 H GLN 53 H GLN 53 15.923 15.230 -6.725 416 HA GLN 53 HA GLN 53 14.348 12.888 -6.301 417 HB2 GLN 53 HB2 GLN 53 16.760 13.384 -8.025 418 HB3 GLN 53 HB1 GLN 53 15.757 11.941 -8.093 419 HG2 GLN 53 HG2 GLN 53 13.854 13.251 -8.792 420 HG3 GLN 53 HG1 GLN 53 14.781 14.737 -8.617 421 HE21 GLN 53 HE21 GLN 53 17.216 13.591 -9.768 422 HE22 GLN 53 HE22 GLN 53 16.931 13.464 -11.451 423 H GLN 54 H GLN 54 16.722 14.052 -4.498 424 HA GLN 54 HA GLN 54 18.594 12.079 -3.990 425 HB2 GLN 54 HB2 GLN 54 18.708 13.031 -1.699 426 HB3 GLN 54 HB1 GLN 54 18.706 14.275 -2.944 427 HG2 GLN 54 HG2 GLN 54 16.374 14.749 -2.527 428 HG3 GLN 54 HG1 GLN 54 16.268 13.436 -1.381 429 HE21 GLN 54 HE21 GLN 54 15.757 16.271 -1.022 430 HE22 GLN 54 HE22 GLN 54 16.797 16.808 0.241 431 H HIS 55 H HIS 55 15.315 12.443 -2.772 432 HA HIS 55 HA HIS 55 15.433 10.250 -1.022 433 HB2 HIS 55 HB2 HIS 55 12.905 10.459 -0.940 434 HB3 HIS 55 HB1 HIS 55 13.805 11.889 -0.478 435 HD1 HIS 55 HD1 HIS 55 11.934 13.570 -1.036 436 HD2 HIS 55 HD2 HIS 55 13.000 11.154 -4.216 437 HE1 HIS 55 HE1 HIS 55 10.679 14.463 -3.020 438 H LEU 56 H LEU 56 14.893 10.499 -4.369 439 HA LEU 56 HA LEU 56 13.555 7.976 -4.609 440 HB2 LEU 56 HB2 LEU 56 13.188 9.772 -6.282 441 HB3 LEU 56 HB1 LEU 56 14.874 9.711 -6.725 442 HG LEU 56 HG LEU 56 13.256 8.670 -8.358 443 HD11 LEU 56 HD11 LEU 56 15.406 6.843 -7.337 444 HD12 LEU 56 HD12 LEU 56 15.595 8.126 -8.531 445 HD13 LEU 56 HD13 LEU 56 14.602 6.716 -8.902 446 HD21 LEU 56 HD21 LEU 56 13.029 6.547 -6.241 447 HD22 LEU 56 HD22 LEU 56 12.440 6.405 -7.898 448 HD23 LEU 56 HD23 LEU 56 11.742 7.610 -6.814 449 H SER 57 H SER 57 16.820 9.240 -5.077 450 HA SER 57 HA SER 57 18.084 6.924 -5.917 451 HB2 SER 57 HB2 SER 57 19.172 9.088 -4.109 452 HB3 SER 57 HB1 SER 57 20.111 8.007 -5.139 453 HG SER 57 HG SER 57 18.848 8.896 -6.901 454 H LEU 58 H LEU 58 17.064 7.923 -2.751 455 HA LEU 58 HA LEU 58 18.447 5.807 -1.343 456 HB2 LEU 58 HB2 LEU 58 16.295 7.689 -0.406 457 HB3 LEU 58 HB1 LEU 58 17.362 6.780 0.638 458 HG LEU 58 HG LEU 58 18.171 8.987 -1.247 459 HD11 LEU 58 HD11 LEU 58 18.650 10.258 0.762 460 HD12 LEU 58 HD12 LEU 58 18.046 8.927 1.750 461 HD13 LEU 58 HD13 LEU 58 16.951 9.795 0.683 462 HD21 LEU 58 HD21 LEU 58 19.831 7.413 0.714 463 HD22 LEU 58 HD22 LEU 58 20.371 8.830 -0.183 464 HD23 LEU 58 HD23 LEU 58 19.951 7.352 -1.047 465 H CYS 59 H CYS 59 15.059 6.676 -1.882 466 HA CYS 59 HA CYS 59 13.838 4.441 -0.707 467 HB2 CYS 59 HB2 CYS 59 12.884 6.669 -1.174 468 HB3 CYS 59 HB1 CYS 59 12.845 6.271 -2.877 469 H CYS 60 H CYS 60 14.491 5.147 -4.207 470 HA CYS 60 HA CYS 60 13.435 2.772 -5.199 471 HB2 CYS 60 HB2 CYS 60 13.904 4.646 -6.672 472 HB3 CYS 60 HB1 CYS 60 15.616 4.563 -6.301 473 H ASN 61 H ASN 61 16.575 3.519 -3.856 474 HA ASN 61 HA ASN 61 17.802 1.078 -4.701 475 HB2 ASN 61 HB2 ASN 61 19.103 3.008 -4.203 476 HB3 ASN 61 HB1 ASN 61 18.602 3.007 -2.514 477 HD21 ASN 61 HD21 ASN 61 19.564 1.491 -1.098 478 HD22 ASN 61 HD22 ASN 61 20.922 0.532 -1.541 479 H GLN 62 H GLN 62 16.122 2.152 -1.883 480 HA GLN 62 HA GLN 62 16.686 -0.123 -0.309 481 HB2 GLN 62 HB2 GLN 62 16.099 2.094 0.637 482 HB3 GLN 62 HB1 GLN 62 14.524 1.968 -0.101 483 HG2 GLN 62 HG2 GLN 62 14.370 1.505 2.247 484 HG3 GLN 62 HG1 GLN 62 13.976 0.079 1.292 485 HE21 GLN 62 HE21 GLN 62 17.264 1.112 1.840 486 HE22 GLN 62 HE22 GLN 62 17.690 -0.186 2.886 487 H LEU 63 H LEU 63 13.946 0.837 -2.313 488 HA LEU 63 HA LEU 63 12.357 -1.436 -1.672 489 HB2 LEU 63 HB2 LEU 63 10.776 -0.591 -3.266 490 HB3 LEU 63 HB1 LEU 63 11.486 0.805 -2.501 491 HG LEU 63 HG LEU 63 13.057 0.787 -4.573 492 HD11 LEU 63 HD11 LEU 63 10.596 -0.540 -5.648 493 HD12 LEU 63 HD12 LEU 63 12.204 -1.248 -5.524 494 HD13 LEU 63 HD13 LEU 63 11.932 0.139 -6.589 495 HD21 LEU 63 HD21 LEU 63 10.232 1.783 -4.528 496 HD22 LEU 63 HD22 LEU 63 11.487 2.276 -5.679 497 HD23 LEU 63 HD23 LEU 63 11.694 2.607 -3.953 498 H GLN 64 H GLN 64 14.726 -0.751 -4.113 499 HA GLN 64 HA GLN 64 14.018 -2.883 -5.855 500 HB2 GLN 64 HB2 GLN 64 15.951 -2.334 -7.154 501 HB3 GLN 64 HB1 GLN 64 15.279 -0.838 -6.508 502 HG2 GLN 64 HG2 GLN 64 16.875 -0.716 -4.853 503 HG3 GLN 64 HG1 GLN 64 17.606 -2.269 -5.296 504 HE21 GLN 64 HE21 GLN 64 19.607 -1.434 -5.838 505 HE22 GLN 64 HE22 GLN 64 19.876 -0.415 -7.188 506 H GLU 65 H GLU 65 15.666 -2.863 -2.930 507 HA GLU 65 HA GLU 65 17.213 -5.206 -3.465 508 HB2 GLU 65 HB2 GLU 65 16.517 -3.866 -0.852 509 HB3 GLU 65 HB1 GLU 65 17.687 -5.167 -1.033 510 HG2 GLU 65 HG2 GLU 65 18.980 -3.717 -2.563 511 HG3 GLU 65 HG1 GLU 65 17.854 -2.410 -2.212 512 H VAL 66 H VAL 66 14.056 -4.446 -2.660 513 HA VAL 66 HA VAL 66 13.274 -6.968 -1.491 514 HB VAL 66 HB VAL 66 11.514 -4.852 -2.785 515 HG11 VAL 66 HG11 VAL 66 9.782 -5.642 -1.279 516 HG12 VAL 66 HG12 VAL 66 10.909 -6.808 -0.586 517 HG13 VAL 66 HG13 VAL 66 10.407 -6.969 -2.267 518 HG21 VAL 66 HG21 VAL 66 11.270 -3.859 -0.555 519 HG22 VAL 66 HG22 VAL 66 12.902 -3.736 -1.197 520 HG23 VAL 66 HG23 VAL 66 12.534 -4.942 0.043 521 H GLU 67 H GLU 67 11.712 -8.383 -2.657 522 HA GLU 67 HA GLU 67 12.546 -9.458 -5.044 523 HB2 GLU 67 HB2 GLU 67 9.871 -9.421 -3.721 524 HB3 GLU 67 HB1 GLU 67 10.187 -10.396 -5.154 525 HG2 GLU 67 HG2 GLU 67 11.861 -11.572 -4.033 526 HG3 GLU 67 HG1 GLU 67 11.710 -10.568 -2.580 527 H LYS 68 H LYS 68 11.907 -9.292 -7.159 528 HA LYS 68 HA LYS 68 11.421 -6.709 -8.061 529 HB2 LYS 68 HB2 LYS 68 11.236 -7.623 -10.322 530 HB3 LYS 68 HB1 LYS 68 12.639 -8.231 -9.483 531 HG2 LYS 68 HG2 LYS 68 11.481 -10.322 -9.069 532 HG3 LYS 68 HG1 LYS 68 10.078 -9.703 -9.950 533 HD2 LYS 68 HD2 LYS 68 11.363 -11.046 -11.473 534 HD3 LYS 68 HD1 LYS 68 11.557 -9.326 -11.864 535 HE2 LYS 68 HE2 LYS 68 13.684 -10.590 -12.006 536 HE3 LYS 68 HE1 LYS 68 13.735 -9.258 -10.862 537 HZ1 LYS 68 HZ1 LYS 68 13.414 -10.879 -9.064 538 HZ2 LYS 68 HZ2 LYS 68 14.775 -11.222 -9.965 539 HZ3 LYS 68 HZ3 LYS 68 13.405 -12.142 -10.186 540 H GLN 69 H GLN 69 9.151 -9.259 -7.475 541 HA GLN 69 HA GLN 69 7.010 -7.824 -8.805 542 HB2 GLN 69 HB2 GLN 69 5.514 -9.529 -7.953 543 HB3 GLN 69 HB1 GLN 69 6.943 -10.302 -8.614 544 HG2 GLN 69 HG2 GLN 69 7.824 -10.607 -6.345 545 HG3 GLN 69 HG1 GLN 69 6.408 -9.799 -5.697 546 HE21 GLN 69 HE21 GLN 69 5.739 -11.504 -4.514 547 HE22 GLN 69 HE22 GLN 69 5.103 -12.953 -5.184 548 H CYS 70 H CYS 70 8.523 -7.754 -5.787 549 HA CYS 70 HA CYS 70 6.194 -6.656 -4.443 550 HB2 CYS 70 HB2 CYS 70 8.847 -7.517 -3.346 551 HB3 CYS 70 HB1 CYS 70 7.443 -7.044 -2.383 552 H GLN 71 H GLN 71 9.065 -5.666 -5.945 553 HA GLN 71 HA GLN 71 9.800 -3.311 -4.625 554 HB2 GLN 71 HB2 GLN 71 9.753 -4.045 -7.525 555 HB3 GLN 71 HB1 GLN 71 10.378 -2.506 -6.942 556 HG2 GLN 71 HG2 GLN 71 12.038 -3.668 -5.628 557 HG3 GLN 71 HG1 GLN 71 11.386 -5.218 -6.158 558 HE21 GLN 71 HE21 GLN 71 13.047 -2.343 -7.193 559 HE22 GLN 71 HE22 GLN 71 13.696 -3.036 -8.635 560 H CYS 72 H CYS 72 7.333 -3.805 -7.136 561 HA CYS 72 HA CYS 72 6.581 -1.095 -6.834 562 HB2 CYS 72 HB2 CYS 72 4.770 -1.594 -8.467 563 HB3 CYS 72 HB1 CYS 72 6.427 -1.879 -8.997 564 H GLU 73 H GLU 73 5.648 -4.036 -5.473 565 HA GLU 73 HA GLU 73 3.155 -3.224 -4.607 566 HB2 GLU 73 HB2 GLU 73 5.079 -5.174 -3.338 567 HB3 GLU 73 HB1 GLU 73 3.436 -4.956 -2.770 568 HG2 GLU 73 HG2 GLU 73 4.139 -5.819 -5.559 569 HG3 GLU 73 HG1 GLU 73 3.825 -6.951 -4.255 570 H ALA 74 H ALA 74 6.461 -2.794 -3.353 571 HA ALA 74 HA ALA 74 5.965 -1.740 -0.842 572 HB1 ALA 74 HB1 ALA 74 8.251 -1.097 -2.721 573 HB2 ALA 74 HB2 ALA 74 8.161 -2.516 -1.690 574 HB3 ALA 74 HB3 ALA 74 8.246 -0.919 -0.963 575 H ILE 75 H ILE 75 5.604 -0.415 -3.975 576 HA ILE 75 HA ILE 75 5.740 2.353 -3.283 577 HB ILE 75 HB ILE 75 4.378 1.053 -5.636 578 HG12 ILE 75 HG12 ILE 75 6.635 0.329 -5.610 579 HG13 ILE 75 HG11 ILE 75 6.517 1.570 -6.863 580 HG21 ILE 75 HG21 ILE 75 5.450 3.860 -5.429 581 HG22 ILE 75 HG22 ILE 75 3.787 3.403 -5.121 582 HG23 ILE 75 HG23 ILE 75 4.452 3.166 -6.726 583 HD11 ILE 75 HD11 ILE 75 7.701 1.734 -4.122 584 HD12 ILE 75 HD12 ILE 75 7.500 3.147 -5.173 585 HD13 ILE 75 HD13 ILE 75 8.549 1.802 -5.666 586 H LYS 76 H LYS 76 3.352 -0.130 -3.112 587 HA LYS 76 HA LYS 76 1.076 1.661 -3.299 588 HB2 LYS 76 HB2 LYS 76 1.181 -1.176 -2.242 589 HB3 LYS 76 HB1 LYS 76 -0.247 -0.325 -2.801 590 HG2 LYS 76 HG2 LYS 76 2.076 -1.267 -4.479 591 HG3 LYS 76 HG1 LYS 76 0.465 -1.965 -4.467 592 HD2 LYS 76 HD2 LYS 76 1.262 0.786 -5.418 593 HD3 LYS 76 HD1 LYS 76 0.776 -0.566 -6.427 594 HE2 LYS 76 HE2 LYS 76 -1.457 -0.514 -5.519 595 HE3 LYS 76 HE1 LYS 76 -1.008 0.758 -4.380 596 HZ1 LYS 76 HZ1 LYS 76 -0.559 2.197 -6.276 597 HZ2 LYS 76 HZ2 LYS 76 -2.158 1.669 -6.261 598 HZ3 LYS 76 HZ3 LYS 76 -1.065 0.979 -7.331 599 H GLN 77 H GLN 77 2.999 0.010 -1.160 600 HA GLN 77 HA GLN 77 1.768 0.324 1.332 601 HB2 GLN 77 HB2 GLN 77 4.706 0.240 0.742 602 HB3 GLN 77 HB1 GLN 77 3.914 -0.214 2.243 603 HG2 GLN 77 HG2 GLN 77 3.288 -1.543 -0.332 604 HG3 GLN 77 HG1 GLN 77 4.608 -2.127 0.619 605 HE21 GLN 77 HE21 GLN 77 2.259 -3.503 -0.152 606 HE22 GLN 77 HE22 GLN 77 1.370 -3.915 1.251 607 H VAL 78 H VAL 78 4.212 2.270 -0.391 608 HA VAL 78 HA VAL 78 4.695 4.156 1.594 609 HB VAL 78 HB VAL 78 4.576 4.951 -1.318 610 HG11 VAL 78 HG11 VAL 78 6.293 5.958 0.887 611 HG12 VAL 78 HG12 VAL 78 4.796 6.688 0.333 612 HG13 VAL 78 HG13 VAL 78 6.178 6.589 -0.770 613 HG21 VAL 78 HG21 VAL 78 6.891 4.302 -1.566 614 HG22 VAL 78 HG22 VAL 78 5.918 2.892 -1.123 615 HG23 VAL 78 HG23 VAL 78 6.917 3.697 0.086 616 H VAL 79 H VAL 79 2.217 4.061 -0.937 617 HA VAL 79 HA VAL 79 1.308 6.718 -0.451 618 HB VAL 79 HB VAL 79 -0.272 4.476 -1.713 619 HG11 VAL 79 HG11 VAL 79 -1.486 6.268 -2.848 620 HG12 VAL 79 HG12 VAL 79 -0.448 7.463 -2.069 621 HG13 VAL 79 HG13 VAL 79 -1.539 6.497 -1.091 622 HG21 VAL 79 HG21 VAL 79 1.837 4.608 -2.849 623 HG22 VAL 79 HG22 VAL 79 1.700 6.363 -2.997 624 HG23 VAL 79 HG23 VAL 79 0.592 5.311 -3.884 625 H GLU 80 H GLU 80 0.262 3.505 0.372 626 HA GLU 80 HA GLU 80 -2.075 4.041 1.751 627 HB2 GLU 80 HB2 GLU 80 -1.135 1.832 0.999 628 HB3 GLU 80 HB1 GLU 80 -0.114 1.881 2.428 629 HG2 GLU 80 HG2 GLU 80 -2.973 2.336 2.838 630 HG3 GLU 80 HG1 GLU 80 -2.527 0.729 2.325 631 H GLN 81 H GLN 81 1.210 3.591 3.059 632 HA GLN 81 HA GLN 81 0.340 4.178 5.673 633 HB2 GLN 81 HB2 GLN 81 2.688 4.032 6.358 634 HB3 GLN 81 HB1 GLN 81 2.230 2.690 5.325 635 HG2 GLN 81 HG2 GLN 81 3.280 3.944 3.421 636 HG3 GLN 81 HG1 GLN 81 3.912 5.069 4.621 637 HE21 GLN 81 HE21 GLN 81 4.001 1.871 3.419 638 HE22 GLN 81 HE22 GLN 81 5.499 1.389 4.150 639 H ALA 82 H ALA 82 1.621 6.195 3.153 640 HA ALA 82 HA ALA 82 2.245 8.356 4.909 641 HB1 ALA 82 HB1 ALA 82 2.542 9.669 2.864 642 HB2 ALA 82 HB2 ALA 82 1.808 8.371 1.923 643 HB3 ALA 82 HB3 ALA 82 3.351 8.106 2.733 644 H GLN 83 H GLN 83 -0.546 7.479 2.950 645 HA GLN 83 HA GLN 83 -1.795 9.966 3.575 646 HB2 GLN 83 HB2 GLN 83 -3.754 9.161 2.363 647 HB3 GLN 83 HB1 GLN 83 -2.297 8.873 1.432 648 HG2 GLN 83 HG2 GLN 83 -2.342 6.521 2.110 649 HG3 GLN 83 HG1 GLN 83 -3.820 6.818 3.007 650 HE21 GLN 83 HE21 GLN 83 -5.000 5.405 1.759 651 HE22 GLN 83 HE22 GLN 83 -5.447 5.720 0.128 652 H LYS 84 H LYS 84 -1.910 6.698 4.837 653 HA LYS 84 HA LYS 84 -4.199 7.151 6.476 654 HB2 LYS 84 HB2 LYS 84 -3.678 5.001 7.495 655 HB3 LYS 84 HB1 LYS 84 -3.565 4.913 5.744 656 HG2 LYS 84 HG2 LYS 84 -1.662 3.836 6.179 657 HG3 LYS 84 HG1 LYS 84 -1.037 5.481 6.319 658 HD2 LYS 84 HD2 LYS 84 -0.222 4.442 8.214 659 HD3 LYS 84 HD1 LYS 84 -1.695 5.279 8.746 660 HE2 LYS 84 HE2 LYS 84 -1.577 2.970 9.637 661 HE3 LYS 84 HE1 LYS 84 -2.974 3.239 8.595 662 HZ1 LYS 84 HZ1 LYS 84 -0.437 1.968 7.741 663 HZ2 LYS 84 HZ2 LYS 84 -1.826 2.086 6.780 664 HZ3 LYS 84 HZ3 LYS 84 -1.805 1.139 8.184 665 H GLN 85 H GLN 85 -0.783 7.688 6.900 666 HA GLN 85 HA GLN 85 -0.951 7.888 9.716 667 HB2 GLN 85 HB2 GLN 85 1.327 8.633 9.691 668 HB3 GLN 85 HB1 GLN 85 1.146 7.502 8.352 669 HG2 GLN 85 HG2 GLN 85 1.117 9.263 6.763 670 HG3 GLN 85 HG1 GLN 85 1.103 10.469 8.043 671 HE21 GLN 85 HE21 GLN 85 3.092 8.989 9.660 672 HE22 GLN 85 HE22 GLN 85 4.589 9.250 8.858 673 H LEU 86 H LEU 86 -1.507 10.064 7.117 674 HA LEU 86 HA LEU 86 -1.936 12.287 8.912 675 HB2 LEU 86 HB2 LEU 86 -1.773 11.949 5.982 676 HB3 LEU 86 HB1 LEU 86 -2.801 13.259 6.495 677 HG LEU 86 HG LEU 86 -0.609 14.068 5.967 678 HD11 LEU 86 HD11 LEU 86 -1.853 15.164 7.753 679 HD12 LEU 86 HD12 LEU 86 -0.108 15.288 7.964 680 HD13 LEU 86 HD13 LEU 86 -1.034 14.144 8.940 681 HD21 LEU 86 HD21 LEU 86 1.349 13.480 7.285 682 HD22 LEU 86 HD22 LEU 86 0.706 12.063 6.441 683 HD23 LEU 86 HD23 LEU 86 0.391 12.299 8.167 684 H GLN 87 H GLN 87 -3.879 10.166 6.915 685 HA GLN 87 HA GLN 87 -6.382 11.396 7.274 686 HB2 GLN 87 HB2 GLN 87 -5.906 9.921 5.430 687 HB3 GLN 87 HB1 GLN 87 -5.640 8.583 6.529 688 HG2 GLN 87 HG2 GLN 87 -7.932 8.574 7.149 689 HG3 GLN 87 HG1 GLN 87 -8.258 9.997 6.156 690 HE21 GLN 87 HE21 GLN 87 -9.707 8.988 4.825 691 HE22 GLN 87 HE22 GLN 87 -9.260 7.774 3.678 692 H GLN 88 H GLN 88 -4.646 9.249 9.318 693 HA GLN 88 HA GLN 88 -6.827 8.147 10.728 694 HB2 GLN 88 HB2 GLN 88 -5.248 7.451 12.421 695 HB3 GLN 88 HB1 GLN 88 -4.623 7.187 10.797 696 HG2 GLN 88 HG2 GLN 88 -3.237 9.175 10.995 697 HG3 GLN 88 HG1 GLN 88 -3.851 9.434 12.633 698 HE21 GLN 88 HE21 GLN 88 -3.210 8.011 14.260 699 HE22 GLN 88 HE22 GLN 88 -1.854 6.959 14.072 700 H GLY 89 H GLY 89 -5.652 11.287 10.796 701 HA2 GLY 89 HA2 GLY 89 -7.499 12.586 12.042 702 HA3 GLY 89 HA1 GLY 89 -6.839 11.707 13.427 703 H GLN 90 H GLN 90 -5.817 13.696 10.752 704 HA GLN 90 HA GLN 90 -4.239 15.358 12.555 705 HB2 GLN 90 HB2 GLN 90 -3.142 13.914 10.142 706 HB3 GLN 90 HB1 GLN 90 -2.324 15.276 10.891 707 HG2 GLN 90 HG2 GLN 90 -2.928 12.652 12.256 708 HG3 GLN 90 HG1 GLN 90 -1.397 13.040 11.478 709 HE21 GLN 90 HE21 GLN 90 -0.226 12.849 13.361 710 HE22 GLN 90 HE22 GLN 90 -0.336 13.997 14.642 711 H GLY 91 H GLY 91 -4.908 14.644 9.181 712 HA2 GLY 91 HA2 GLY 91 -6.362 16.281 7.990 713 HA3 GLY 91 HA1 GLY 91 -5.213 17.497 8.574 714 H GLY 92 H GLY 92 -4.114 18.057 6.705 715 HA2 GLY 92 HA2 GLY 92 -2.290 17.835 5.442 716 HA3 GLY 92 HA1 GLY 92 -2.070 16.196 6.028 717 H GLN 93 H GLN 93 -4.697 15.402 5.094 718 HA GLN 93 HA GLN 93 -4.053 14.201 2.726 719 HB2 GLN 93 HB2 GLN 93 -6.778 14.944 3.733 720 HB3 GLN 93 HB1 GLN 93 -6.474 13.832 2.405 721 HG2 GLN 93 HG2 GLN 93 -5.288 12.337 3.874 722 HG3 GLN 93 HG1 GLN 93 -5.455 13.476 5.209 723 HE21 GLN 93 HE21 GLN 93 -7.101 11.264 3.135 724 HE22 GLN 93 HE22 GLN 93 -8.528 11.117 4.102 725 H GLN 94 H GLN 94 -5.361 17.410 3.055 726 HA GLN 94 HA GLN 94 -5.857 17.662 0.213 727 HB2 GLN 94 HB2 GLN 94 -6.306 20.035 0.660 728 HB3 GLN 94 HB1 GLN 94 -7.200 18.998 1.758 729 HG2 GLN 94 HG2 GLN 94 -5.677 19.442 3.537 730 HG3 GLN 94 HG1 GLN 94 -4.595 20.279 2.441 731 HE21 GLN 94 HE21 GLN 94 -6.670 21.762 1.064 732 HE22 GLN 94 HE22 GLN 94 -7.250 22.948 2.170 733 H GLN 95 H GLN 95 -3.341 18.676 2.441 734 HA GLN 95 HA GLN 95 -1.980 20.176 0.403 735 HB2 GLN 95 HB2 GLN 95 -0.358 20.724 2.247 736 HB3 GLN 95 HB1 GLN 95 -2.040 21.197 2.559 737 HG2 GLN 95 HG2 GLN 95 -2.317 19.309 3.978 738 HG3 GLN 95 HG1 GLN 95 -0.651 18.807 3.675 739 HE21 GLN 95 HE21 GLN 95 -2.046 19.632 6.161 740 HE22 GLN 95 HE22 GLN 95 -1.092 20.895 6.806 741 H VAL 96 H VAL 96 -1.425 17.366 2.312 742 HA VAL 96 HA VAL 96 1.113 16.619 1.357 743 HB VAL 96 HB VAL 96 -1.130 15.016 2.601 744 HG11 VAL 96 HG11 VAL 96 1.693 14.104 2.121 745 HG12 VAL 96 HG12 VAL 96 0.211 13.441 1.416 746 HG13 VAL 96 HG13 VAL 96 0.491 13.321 3.156 747 HG21 VAL 96 HG21 VAL 96 -0.250 16.699 4.057 748 HG22 VAL 96 HG22 VAL 96 1.401 16.130 3.782 749 HG23 VAL 96 HG23 VAL 96 0.232 15.104 4.618 750 H GLN 97 H GLN 97 -2.039 16.403 0.023 751 HA GLN 97 HA GLN 97 -1.966 14.125 -1.566 752 HB2 GLN 97 HB2 GLN 97 -3.951 15.488 -1.324 753 HB3 GLN 97 HB1 GLN 97 -3.197 16.782 -2.244 754 HG2 GLN 97 HG2 GLN 97 -3.122 15.406 -4.198 755 HG3 GLN 97 HG1 GLN 97 -3.785 14.039 -3.325 756 HE21 GLN 97 HE21 GLN 97 -4.446 17.139 -4.739 757 HE22 GLN 97 HE22 GLN 97 -6.165 17.047 -4.656 758 H GLN 98 H GLN 98 -0.786 17.331 -2.384 759 HA GLN 98 HA GLN 98 -0.013 16.697 -5.024 760 HB2 GLN 98 HB2 GLN 98 1.140 18.880 -4.982 761 HB3 GLN 98 HB1 GLN 98 -0.536 18.965 -4.460 762 HG2 GLN 98 HG2 GLN 98 0.275 18.946 -2.115 763 HG3 GLN 98 HG1 GLN 98 1.920 19.042 -2.741 764 HE21 GLN 98 HE21 GLN 98 2.570 20.895 -3.748 765 HE22 GLN 98 HE22 GLN 98 1.751 22.396 -3.554 766 H MET 99 H MET 99 1.464 15.994 -2.053 767 HA MET 99 HA MET 99 4.123 15.729 -3.313 768 HB2 MET 99 HB2 MET 99 3.480 16.818 -0.929 769 HB3 MET 99 HB1 MET 99 3.560 15.149 -0.470 770 HG2 MET 99 HG2 MET 99 5.669 16.134 -0.012 771 HG3 MET 99 HG1 MET 99 5.799 14.920 -1.285 772 HE1 MET 99 HE1 MET 99 8.236 15.866 -1.774 773 HE2 MET 99 HE2 MET 99 8.029 17.116 -0.546 774 HE3 MET 99 HE3 MET 99 8.563 17.553 -2.170 775 H VAL 100 H VAL 100 1.819 13.983 -1.390 776 HA VAL 100 HA VAL 100 3.121 11.515 -1.626 777 HB VAL 100 HB VAL 100 1.329 11.906 0.047 778 HG11 VAL 100 HG11 VAL 100 -1.022 11.662 -0.559 779 HG12 VAL 100 HG12 VAL 100 -0.563 11.630 -2.267 780 HG13 VAL 100 HG13 VAL 100 -0.261 13.074 -1.297 781 HG21 VAL 100 HG21 VAL 100 2.023 9.647 -0.395 782 HG22 VAL 100 HG22 VAL 100 0.901 9.551 -1.752 783 HG23 VAL 100 HG23 VAL 100 0.276 9.675 -0.098 784 H LYS 101 H LYS 101 0.957 13.094 -3.923 785 HA LYS 101 HA LYS 101 0.524 10.915 -5.564 786 HB2 LYS 101 HB2 LYS 101 0.089 12.506 -7.371 787 HB3 LYS 101 HB1 LYS 101 -0.631 13.014 -5.843 788 HG2 LYS 101 HG2 LYS 101 0.149 14.986 -6.734 789 HG3 LYS 101 HG1 LYS 101 1.426 14.495 -5.623 790 HD2 LYS 101 HD2 LYS 101 2.761 13.653 -7.469 791 HD3 LYS 101 HD1 LYS 101 1.466 14.011 -8.611 792 HE2 LYS 101 HE2 LYS 101 1.658 16.398 -8.031 793 HE3 LYS 101 HE1 LYS 101 2.989 16.006 -6.950 794 HZ1 LYS 101 HZ1 LYS 101 2.943 15.634 -9.886 795 HZ2 LYS 101 HZ2 LYS 101 4.238 15.191 -8.888 796 HZ3 LYS 101 HZ3 LYS 101 3.802 16.797 -9.044 797 H LYS 102 H LYS 102 3.484 12.632 -5.093 798 HA LYS 102 HA LYS 102 4.860 11.898 -7.455 799 HB2 LYS 102 HB2 LYS 102 5.839 12.475 -4.669 800 HB3 LYS 102 HB1 LYS 102 6.894 12.248 -6.055 801 HG2 LYS 102 HG2 LYS 102 6.212 14.242 -7.052 802 HG3 LYS 102 HG1 LYS 102 4.751 14.341 -6.065 803 HD2 LYS 102 HD2 LYS 102 6.481 15.944 -5.366 804 HD3 LYS 102 HD1 LYS 102 6.067 14.802 -4.092 805 HE2 LYS 102 HE2 LYS 102 8.391 15.044 -4.057 806 HE3 LYS 102 HE1 LYS 102 8.088 13.479 -4.774 807 HZ1 LYS 102 HZ1 LYS 102 9.789 14.640 -6.020 808 HZ2 LYS 102 HZ2 LYS 102 8.803 15.960 -6.245 809 HZ3 LYS 102 HZ3 LYS 102 8.425 14.501 -6.993 810 H ALA 103 H ALA 103 4.117 10.238 -4.501 811 HA ALA 103 HA ALA 103 5.998 8.137 -4.619 812 HB1 ALA 103 HB1 ALA 103 4.486 6.852 -3.184 813 HB2 ALA 103 HB2 ALA 103 3.188 7.999 -3.525 814 HB3 ALA 103 HB3 ALA 103 4.614 8.523 -2.633 815 H GLN 104 H GLN 104 3.089 8.687 -6.352 816 HA GLN 104 HA GLN 104 2.682 6.002 -7.224 817 HB2 GLN 104 HB2 GLN 104 1.612 8.517 -8.493 818 HB3 GLN 104 HB1 GLN 104 0.950 6.894 -8.630 819 HG2 GLN 104 HG2 GLN 104 0.539 6.949 -6.162 820 HG3 GLN 104 HG1 GLN 104 1.014 8.641 -6.188 821 HE21 GLN 104 HE21 GLN 104 -0.291 10.110 -7.328 822 HE22 GLN 104 HE22 GLN 104 -1.950 9.794 -7.623 823 H MET 105 H MET 105 4.829 8.419 -8.124 824 HA MET 105 HA MET 105 5.127 7.539 -10.896 825 HB2 MET 105 HB2 MET 105 6.736 9.550 -9.410 826 HB3 MET 105 HB1 MET 105 6.673 9.324 -11.142 827 HG2 MET 105 HG2 MET 105 4.294 9.881 -11.126 828 HG3 MET 105 HG1 MET 105 4.413 10.267 -9.423 829 HE1 MET 105 HE1 MET 105 3.341 12.640 -10.007 830 HE2 MET 105 HE2 MET 105 3.356 12.259 -11.730 831 HE3 MET 105 HE3 MET 105 4.050 13.774 -11.155 832 H LEU 106 H LEU 106 6.308 6.802 -7.883 833 HA LEU 106 HA LEU 106 9.029 6.425 -8.225 834 HB2 LEU 106 HB2 LEU 106 7.120 4.808 -6.570 835 HB3 LEU 106 HB1 LEU 106 8.857 4.670 -6.458 836 HG LEU 106 HG LEU 106 7.206 7.104 -5.799 837 HD11 LEU 106 HD11 LEU 106 8.668 5.166 -4.012 838 HD12 LEU 106 HD12 LEU 106 6.918 5.333 -4.170 839 HD13 LEU 106 HD13 LEU 106 7.871 6.645 -3.479 840 HD21 LEU 106 HD21 LEU 106 9.399 7.763 -6.617 841 HD22 LEU 106 HD22 LEU 106 10.170 6.637 -5.500 842 HD23 LEU 106 HD23 LEU 106 9.292 8.033 -4.878 843 HA PRO 107 HA PRO 107 8.175 1.910 -9.904 844 HB2 PRO 107 HB2 PRO 107 5.842 1.757 -11.374 845 HB3 PRO 107 HB1 PRO 107 6.038 1.127 -9.737 846 HG2 PRO 107 HG2 PRO 107 4.843 3.708 -10.642 847 HG3 PRO 107 HG1 PRO 107 4.308 2.605 -9.357 848 HD2 PRO 107 HD2 PRO 107 5.654 4.866 -8.759 849 HD3 PRO 107 HD1 PRO 107 5.936 3.372 -7.863 850 H ASN 108 H ASN 108 7.221 4.937 -11.526 851 HA ASN 108 HA ASN 108 8.011 3.899 -14.043 852 HB2 ASN 108 HB2 ASN 108 7.244 6.639 -13.054 853 HB3 ASN 108 HB1 ASN 108 7.557 6.217 -14.728 854 HD21 ASN 108 HD21 ASN 108 5.204 7.338 -13.628 855 HD22 ASN 108 HD22 ASN 108 3.900 6.237 -13.874 856 H GLN 109 H GLN 109 9.126 6.100 -11.548 857 HA GLN 109 HA GLN 109 11.429 6.989 -12.987 858 HB2 GLN 109 HB2 GLN 109 10.804 7.282 -10.048 859 HB3 GLN 109 HB1 GLN 109 12.029 8.179 -10.925 860 HG2 GLN 109 HG2 GLN 109 9.042 8.344 -11.273 861 HG3 GLN 109 HG1 GLN 109 10.112 9.579 -10.614 862 HE21 GLN 109 HE21 GLN 109 11.403 10.764 -12.034 863 HE22 GLN 109 HE22 GLN 109 11.094 10.789 -13.733 864 H CYS 110 H CYS 110 10.813 4.400 -10.820 865 HA CYS 110 HA CYS 110 13.664 3.850 -10.375 866 HB2 CYS 110 HB2 CYS 110 11.889 3.832 -8.532 867 HB3 CYS 110 HB1 CYS 110 11.229 2.438 -9.303 868 H ASN 111 H ASN 111 11.292 3.157 -12.561 869 HA ASN 111 HA ASN 111 10.813 1.637 -14.086 870 HB2 ASN 111 HB2 ASN 111 13.132 2.171 -14.865 871 HB3 ASN 111 HB1 ASN 111 13.720 0.799 -13.931 872 HD21 ASN 111 HD21 ASN 111 13.512 -1.242 -14.782 873 HD22 ASN 111 HD22 ASN 111 12.856 -1.572 -16.339 874 H LEU 112 H LEU 112 9.685 0.892 -12.298 875 HA LEU 112 HA LEU 112 10.334 -1.843 -11.480 876 HB2 LEU 112 HB2 LEU 112 8.065 -0.079 -10.548 877 HB3 LEU 112 HB1 LEU 112 8.563 -1.603 -9.840 878 HG LEU 112 HG LEU 112 10.142 0.945 -9.868 879 HD11 LEU 112 HD11 LEU 112 8.802 -0.511 -7.587 880 HD12 LEU 112 HD12 LEU 112 8.404 1.105 -8.186 881 HD13 LEU 112 HD13 LEU 112 9.931 0.810 -7.389 882 HD21 LEU 112 HD21 LEU 112 11.617 -0.927 -10.118 883 HD22 LEU 112 HD22 LEU 112 10.881 -1.751 -8.749 884 HD23 LEU 112 HD23 LEU 112 11.789 -0.253 -8.505 885 H GLN 113 H GLN 113 8.661 -3.448 -11.569 886 HA GLN 113 HA GLN 113 7.541 -3.730 -14.176 887 HB2 GLN 113 HB2 GLN 113 7.220 -5.420 -11.706 888 HB3 GLN 113 HB1 GLN 113 6.726 -5.898 -13.320 889 HG2 GLN 113 HG2 GLN 113 9.501 -5.207 -12.514 890 HG3 GLN 113 HG1 GLN 113 8.878 -6.861 -12.551 891 HE21 GLN 113 HE21 GLN 113 7.315 -6.321 -15.014 892 HE22 GLN 113 HE22 GLN 113 8.470 -6.246 -16.291 893 H CYS 114 H CYS 114 6.340 -1.563 -12.898 894 HA CYS 114 HA CYS 114 3.565 -2.259 -12.911 895 HB2 CYS 114 HB2 CYS 114 5.140 -1.623 -10.542 896 HB3 CYS 114 HB1 CYS 114 3.442 -1.078 -10.543 897 H SER 115 H SER 115 2.277 -0.275 -12.845 898 HA SER 115 HA SER 115 3.662 2.249 -12.884 899 HB2 SER 115 HB2 SER 115 1.932 1.258 -15.180 900 HB3 SER 115 HB1 SER 115 2.676 2.856 -15.057 901 HG SER 115 HG SER 115 4.635 1.291 -14.710 902 H ILE 116 H ILE 116 2.191 3.914 -12.259 903 HA ILE 116 HA ILE 116 -0.331 2.841 -11.231 904 HB ILE 116 HB ILE 116 1.030 5.433 -10.448 905 HG12 ILE 116 HG12 ILE 116 2.443 3.556 -9.782 906 HG13 ILE 116 HG11 ILE 116 1.714 4.296 -8.368 907 HG21 ILE 116 HG21 ILE 116 -1.376 5.424 -10.073 908 HG22 ILE 116 HG22 ILE 116 -0.521 5.382 -8.534 909 HG23 ILE 116 HG23 ILE 116 -1.250 3.911 -9.177 910 HD11 ILE 116 HD11 ILE 116 0.082 2.462 -8.290 911 HD12 ILE 116 HD12 ILE 116 1.746 1.888 -8.174 912 HD13 ILE 116 HD13 ILE 116 0.864 1.730 -9.693 Start of MODEL 5 1 H1 GLY 1 H GLY 1 9.435 -17.373 11.441 2 H2 GLY 1 HT1 GLY 1 7.811 -17.084 11.664 3 H3 GLY 1 HT2 GLY 1 9.053 -15.932 11.718 4 HA2 GLY 1 HA1 GLY 1 7.635 -15.744 9.703 5 HA3 GLY 1 HA2 GLY 1 9.328 -16.078 9.342 6 H ARG 2 H ARG 2 7.531 -16.737 7.411 7 HA ARG 2 HA ARG 2 7.032 -19.581 7.805 8 HB2 ARG 2 HB2 ARG 2 6.255 -17.801 5.501 9 HB3 ARG 2 HB1 ARG 2 5.912 -19.521 5.625 10 HG2 ARG 2 HG2 ARG 2 4.959 -17.490 7.597 11 HG3 ARG 2 HG1 ARG 2 4.008 -18.026 6.207 12 HD2 ARG 2 HD2 ARG 2 4.000 -20.290 7.061 13 HD3 ARG 2 HD1 ARG 2 5.072 -19.824 8.381 14 HE ARG 2 HE ARG 2 3.349 -18.517 9.298 15 HH11 ARG 2 HH11 ARG 2 2.220 -20.669 6.677 16 HH12 ARG 2 HH12 ARG 2 0.619 -20.699 7.243 17 HH21 ARG 2 HH21 ARG 2 1.106 -18.602 10.016 18 HH22 ARG 2 HH22 ARG 2 -0.014 -19.544 9.150 19 H CYS 3 H CYS 3 8.188 -21.055 7.020 20 HA CYS 3 HA CYS 3 10.380 -20.261 5.229 21 HB2 CYS 3 HB2 CYS 3 10.579 -22.350 7.356 22 HB3 CYS 3 HB1 CYS 3 11.893 -21.554 6.505 23 H THR 4 H THR 4 10.948 -21.757 3.663 24 HA THR 4 HA THR 4 8.979 -23.638 2.889 25 HB THR 4 HB THR 4 10.600 -24.200 1.087 26 HG1 THR 4 HG1 THR 4 12.551 -23.301 1.023 27 HG21 THR 4 HG21 THR 4 9.120 -22.274 0.753 28 HG22 THR 4 HG22 THR 4 10.710 -21.967 0.038 29 HG23 THR 4 HG23 THR 4 10.285 -21.236 1.579 30 H LYS 5 H LYS 5 9.328 -25.942 2.661 31 HA LYS 5 HA LYS 5 10.828 -27.097 4.830 32 HB2 LYS 5 HB2 LYS 5 9.248 -28.467 2.647 33 HB3 LYS 5 HB1 LYS 5 9.832 -29.199 4.127 34 HG2 LYS 5 HG2 LYS 5 7.714 -27.073 3.901 35 HG3 LYS 5 HG1 LYS 5 7.458 -28.781 4.243 36 HD2 LYS 5 HD2 LYS 5 8.823 -28.511 6.292 37 HD3 LYS 5 HD1 LYS 5 8.887 -26.779 5.974 38 HE2 LYS 5 HE2 LYS 5 6.359 -28.379 6.372 39 HE3 LYS 5 HE1 LYS 5 7.114 -27.353 7.582 40 HZ1 LYS 5 HZ1 LYS 5 6.076 -26.390 4.963 41 HZ2 LYS 5 HZ2 LYS 5 6.692 -25.428 6.207 42 HZ3 LYS 5 HZ3 LYS 5 5.264 -26.288 6.429 43 H SER 6 H SER 6 12.857 -26.207 3.808 44 HA SER 6 HA SER 6 14.097 -28.292 2.275 45 HB2 SER 6 HB2 SER 6 13.071 -26.714 0.625 46 HB3 SER 6 HB1 SER 6 14.073 -25.423 1.293 47 HG SER 6 HG SER 6 15.489 -26.088 -0.054 48 H ILE 7 H ILE 7 16.441 -27.836 2.217 49 HA ILE 7 HA ILE 7 17.373 -26.027 4.336 50 HB ILE 7 HB ILE 7 18.280 -28.906 3.932 51 HG12 ILE 7 HG12 ILE 7 16.977 -27.554 6.307 52 HG13 ILE 7 HG11 ILE 7 16.174 -28.639 5.182 53 HG21 ILE 7 HG21 ILE 7 19.844 -28.519 5.785 54 HG22 ILE 7 HG22 ILE 7 19.349 -26.828 5.840 55 HG23 ILE 7 HG23 ILE 7 20.190 -27.449 4.422 56 HD11 ILE 7 HD11 ILE 7 18.434 -29.362 7.033 57 HD12 ILE 7 HD12 ILE 7 17.614 -30.459 5.917 58 HD13 ILE 7 HD13 ILE 7 16.726 -29.741 7.258 59 HA PRO 8 HA PRO 8 18.782 -24.546 4.764 60 HB2 PRO 8 HB2 PRO 8 19.094 -22.067 3.683 61 HB3 PRO 8 HB1 PRO 8 20.433 -23.077 4.245 62 HG2 PRO 8 HG2 PRO 8 19.412 -22.680 1.458 63 HG3 PRO 8 HG1 PRO 8 21.087 -22.707 2.037 64 HD2 PRO 8 HD2 PRO 8 19.954 -24.839 0.850 65 HD3 PRO 8 HD1 PRO 8 21.141 -25.012 2.158 66 HA PRO 9 HA PRO 9 14.528 -23.698 3.854 67 HB2 PRO 9 HB2 PRO 9 13.865 -22.333 6.097 68 HB3 PRO 9 HB1 PRO 9 14.089 -24.087 6.082 69 HG2 PRO 9 HG2 PRO 9 15.964 -21.937 6.960 70 HG3 PRO 9 HG1 PRO 9 15.633 -23.508 7.718 71 HD2 PRO 9 HD2 PRO 9 17.824 -23.037 6.183 72 HD3 PRO 9 HD1 PRO 9 17.043 -24.629 6.283 73 H ILE 10 H ILE 10 13.563 -22.163 2.716 74 HA ILE 10 HA ILE 10 14.793 -19.525 2.613 75 HB ILE 10 HB ILE 10 12.472 -20.623 0.989 76 HG12 ILE 10 HG12 ILE 10 14.393 -22.077 0.634 77 HG13 ILE 10 HG11 ILE 10 14.085 -21.129 -0.816 78 HG21 ILE 10 HG21 ILE 10 12.657 -18.202 0.969 79 HG22 ILE 10 HG22 ILE 10 13.081 -18.853 -0.617 80 HG23 ILE 10 HG23 ILE 10 14.348 -18.315 0.484 81 HD11 ILE 10 HD11 ILE 10 16.229 -20.629 1.237 82 HD12 ILE 10 HD12 ILE 10 15.924 -19.632 -0.188 83 HD13 ILE 10 HD13 ILE 10 16.458 -21.307 -0.378 84 H CYS 11 H CYS 11 13.925 -18.102 4.031 85 HA CYS 11 HA CYS 11 11.176 -18.666 4.790 86 HB2 CYS 11 HB2 CYS 11 12.892 -19.417 6.452 87 HB3 CYS 11 HB1 CYS 11 13.290 -17.709 6.703 88 H PHE 12 H PHE 12 9.839 -17.149 4.905 89 HA PHE 12 HA PHE 12 10.503 -14.577 3.857 90 HB2 PHE 12 HB2 PHE 12 7.935 -15.839 4.804 91 HB3 PHE 12 HB1 PHE 12 8.012 -14.151 4.313 92 HD1 PHE 12 HD1 PHE 12 7.548 -17.488 3.197 93 HD2 PHE 12 HD2 PHE 12 9.011 -13.680 2.026 94 HE1 PHE 12 HE1 PHE 12 7.320 -18.131 0.829 95 HE2 PHE 12 HE2 PHE 12 8.800 -14.279 -0.310 96 HZ PHE 12 HZ PHE 12 7.941 -16.529 -0.943 97 HA PRO 13 HA PRO 13 11.379 -12.406 7.501 98 HB2 PRO 13 HB2 PRO 13 10.015 -10.027 7.087 99 HB3 PRO 13 HB1 PRO 13 11.592 -10.416 6.397 100 HG2 PRO 13 HG2 PRO 13 8.892 -10.540 5.143 101 HG3 PRO 13 HG1 PRO 13 10.444 -10.071 4.431 102 HD2 PRO 13 HD2 PRO 13 9.272 -12.462 4.010 103 HD3 PRO 13 HD1 PRO 13 11.024 -12.284 3.982 104 H ASP 14 H ASP 14 8.086 -12.666 6.566 105 HA ASP 14 HA ASP 14 7.273 -12.909 9.354 106 HB2 ASP 14 HB2 ASP 14 6.708 -10.645 8.883 107 HB3 ASP 14 HB1 ASP 14 6.044 -11.075 7.313 108 H GLY 15 H GLY 15 5.551 -12.851 6.291 109 HA2 GLY 15 HA2 GLY 15 4.943 -14.765 5.035 110 HA3 GLY 15 HA1 GLY 15 5.346 -15.722 6.456 111 H LEU 16 H LEU 16 3.382 -13.263 7.537 112 HA LEU 16 HA LEU 16 1.072 -14.979 7.035 113 HB2 LEU 16 HB2 LEU 16 0.340 -14.670 9.353 114 HB3 LEU 16 HB1 LEU 16 1.856 -15.530 9.213 115 HG LEU 16 HG LEU 16 2.780 -13.051 9.583 116 HD11 LEU 16 HD11 LEU 16 0.654 -12.018 9.762 117 HD12 LEU 16 HD12 LEU 16 1.479 -11.942 11.328 118 HD13 LEU 16 HD13 LEU 16 0.178 -13.108 11.063 119 HD21 LEU 16 HD21 LEU 16 3.110 -13.679 11.925 120 HD22 LEU 16 HD22 LEU 16 3.443 -14.983 10.779 121 HD23 LEU 16 HD23 LEU 16 1.943 -14.998 11.715 122 H ASP 17 H ASP 17 2.286 -11.824 7.376 123 HA ASP 17 HA ASP 17 -0.344 -10.660 7.045 124 HB2 ASP 17 HB2 ASP 17 1.371 -9.500 8.407 125 HB3 ASP 17 HB1 ASP 17 2.391 -9.366 6.980 126 H ASN 18 H ASN 18 -1.260 -10.444 5.146 127 HA ASN 18 HA ASN 18 0.398 -10.224 2.750 128 HB2 ASN 18 HB2 ASN 18 -0.135 -12.660 3.180 129 HB3 ASN 18 HB1 ASN 18 -1.834 -12.250 3.004 130 HD21 ASN 18 HD21 ASN 18 -2.603 -11.681 0.938 131 HD22 ASN 18 HD22 ASN 18 -1.738 -12.097 -0.495 132 HA PRO 19 HA PRO 19 -3.321 -7.507 2.705 133 HB2 PRO 19 HB2 PRO 19 -1.628 -5.302 1.920 134 HB3 PRO 19 HB1 PRO 19 -2.519 -5.522 3.421 135 HG2 PRO 19 HG2 PRO 19 0.221 -5.575 3.250 136 HG3 PRO 19 HG1 PRO 19 -0.713 -6.364 4.530 137 HD2 PRO 19 HD2 PRO 19 0.528 -7.547 2.078 138 HD3 PRO 19 HD1 PRO 19 0.422 -8.210 3.725 139 H ARG 20 H ARG 20 -0.839 -8.064 0.461 140 HA ARG 20 HA ARG 20 -2.740 -7.699 -1.753 141 HB2 ARG 20 HB2 ARG 20 0.222 -6.987 -2.021 142 HB3 ARG 20 HB1 ARG 20 -0.998 -6.841 -3.262 143 HG2 ARG 20 HG2 ARG 20 -0.649 -4.643 -2.613 144 HG3 ARG 20 HG1 ARG 20 -2.064 -5.089 -1.661 145 HD2 ARG 20 HD2 ARG 20 -0.529 -5.628 0.231 146 HD3 ARG 20 HD1 ARG 20 0.804 -5.008 -0.729 147 HE ARG 20 HE ARG 20 -1.151 -3.036 -0.648 148 HH11 ARG 20 HH11 ARG 20 1.204 -4.531 1.576 149 HH12 ARG 20 HH12 ARG 20 1.145 -3.260 2.688 150 HH21 ARG 20 HH21 ARG 20 -1.165 -1.268 0.901 151 HH22 ARG 20 HH22 ARG 20 -0.185 -1.383 2.302 152 H GLY 21 H GLY 21 0.527 -8.650 -1.095 153 HA2 GLY 21 HA2 GLY 21 0.223 -11.406 -1.230 154 HA3 GLY 21 HA1 GLY 21 0.752 -10.810 -2.824 155 H CYS 22 H CYS 22 2.379 -9.059 -2.620 156 HA CYS 22 HA CYS 22 4.620 -10.001 -1.171 157 HB2 CYS 22 HB2 CYS 22 4.069 -7.500 -2.733 158 HB3 CYS 22 HB1 CYS 22 5.620 -7.847 -1.990 159 H GLN 23 H GLN 23 5.177 -9.487 0.847 160 HA GLN 23 HA GLN 23 3.861 -7.184 2.045 161 HB2 GLN 23 HB2 GLN 23 4.310 -8.165 4.214 162 HB3 GLN 23 HB1 GLN 23 3.492 -9.357 3.218 163 HG2 GLN 23 HG2 GLN 23 5.637 -10.435 2.785 164 HG3 GLN 23 HG1 GLN 23 6.438 -9.255 3.811 165 HE21 GLN 23 HE21 GLN 23 4.153 -9.256 5.673 166 HE22 GLN 23 HE22 GLN 23 4.270 -10.708 6.592 167 H ILE 24 H ILE 24 5.089 -5.461 2.247 168 HA ILE 24 HA ILE 24 7.966 -5.895 2.151 169 HB ILE 24 HB ILE 24 6.483 -3.383 1.244 170 HG12 ILE 24 HG12 ILE 24 7.287 -4.139 -1.100 171 HG13 ILE 24 HG11 ILE 24 7.459 -5.735 -0.353 172 HG21 ILE 24 HG21 ILE 24 9.346 -4.243 0.859 173 HG22 ILE 24 HG22 ILE 24 8.790 -2.921 1.899 174 HG23 ILE 24 HG23 ILE 24 8.586 -2.836 0.139 175 HD11 ILE 24 HD11 ILE 24 5.070 -5.728 0.118 176 HD12 ILE 24 HD12 ILE 24 5.408 -5.544 -1.600 177 HD13 ILE 24 HD13 ILE 24 4.927 -4.141 -0.643 178 H ARG 25 H ARG 25 9.192 -4.734 3.673 179 HA ARG 25 HA ARG 25 7.852 -4.224 6.085 180 HB2 ARG 25 HB2 ARG 25 10.083 -3.521 6.918 181 HB3 ARG 25 HB1 ARG 25 10.144 -5.069 6.100 182 HG2 ARG 25 HG2 ARG 25 10.987 -3.820 4.054 183 HG3 ARG 25 HG1 ARG 25 11.038 -2.411 5.095 184 HD2 ARG 25 HD2 ARG 25 12.596 -3.478 6.578 185 HD3 ARG 25 HD1 ARG 25 12.515 -4.968 5.635 186 HE ARG 25 HE ARG 25 13.252 -2.900 3.928 187 HH11 ARG 25 HH11 ARG 25 14.604 -4.725 6.641 188 HH12 ARG 25 HH12 ARG 25 16.225 -4.470 6.221 189 HH21 ARG 25 HH21 ARG 25 15.525 -2.522 3.325 190 HH22 ARG 25 HH22 ARG 25 16.751 -3.192 4.299 191 H ILE 26 H ILE 26 6.788 -2.518 6.643 192 HA ILE 26 HA ILE 26 6.566 -0.355 4.836 193 HB ILE 26 HB ILE 26 4.989 0.660 6.459 194 HG12 ILE 26 HG12 ILE 26 4.097 -0.997 8.267 195 HG13 ILE 26 HG11 ILE 26 5.660 -1.778 8.117 196 HG21 ILE 26 HG21 ILE 26 4.188 -0.757 4.700 197 HG22 ILE 26 HG22 ILE 26 3.233 -1.053 6.159 198 HG23 ILE 26 HG23 ILE 26 4.493 -2.193 5.678 199 HD11 ILE 26 HD11 ILE 26 5.186 1.075 8.944 200 HD12 ILE 26 HD12 ILE 26 6.756 0.274 8.832 201 HD13 ILE 26 HD13 ILE 26 5.564 -0.272 10.014 202 H GLN 27 H GLN 27 8.661 -0.927 7.264 203 HA GLN 27 HA GLN 27 8.966 1.848 7.947 204 HB2 GLN 27 HB2 GLN 27 10.819 1.071 9.466 205 HB3 GLN 27 HB1 GLN 27 9.194 0.460 9.780 206 HG2 GLN 27 HG2 GLN 27 10.944 -1.190 8.112 207 HG3 GLN 27 HG1 GLN 27 11.320 -1.121 9.840 208 HE21 GLN 27 HE21 GLN 27 9.767 -1.871 11.283 209 HE22 GLN 27 HE22 GLN 27 8.491 -2.932 10.812 210 H GLN 28 H GLN 28 10.080 -0.133 5.505 211 HA GLN 28 HA GLN 28 12.541 1.369 5.256 212 HB2 GLN 28 HB2 GLN 28 13.110 0.009 3.398 213 HB3 GLN 28 HB1 GLN 28 12.258 -1.059 4.500 214 HG2 GLN 28 HG2 GLN 28 10.317 -1.030 3.189 215 HG3 GLN 28 HG1 GLN 28 10.923 0.295 2.193 216 HE21 GLN 28 HE21 GLN 28 10.781 -0.767 0.316 217 HE22 GLN 28 HE22 GLN 28 11.781 -2.113 -0.095 218 H LEU 29 H LEU 29 9.271 1.526 4.346 219 HA LEU 29 HA LEU 29 9.729 3.390 2.166 220 HB2 LEU 29 HB2 LEU 29 7.156 2.362 3.338 221 HB3 LEU 29 HB1 LEU 29 7.256 3.568 2.077 222 HG LEU 29 HG LEU 29 6.776 1.664 0.920 223 HD11 LEU 29 HD11 LEU 29 8.761 1.035 -0.358 224 HD12 LEU 29 HD12 LEU 29 9.766 1.778 0.894 225 HD13 LEU 29 HD13 LEU 29 8.667 2.775 -0.043 226 HD21 LEU 29 HD21 LEU 29 8.688 0.170 2.685 227 HD22 LEU 29 HD22 LEU 29 7.824 -0.542 1.315 228 HD23 LEU 29 HD23 LEU 29 6.928 0.075 2.710 229 H ASN 30 H ASN 30 9.655 3.446 5.365 230 HA ASN 30 HA ASN 30 8.136 5.623 6.106 231 HB2 ASN 30 HB2 ASN 30 9.221 4.186 7.771 232 HB3 ASN 30 HB1 ASN 30 10.799 4.774 7.271 233 HD21 ASN 30 HD21 ASN 30 11.535 6.751 8.091 234 HD22 ASN 30 HD22 ASN 30 10.670 7.662 9.254 235 H HIS 31 H HIS 31 11.239 5.572 4.474 236 HA HIS 31 HA HIS 31 11.812 8.330 4.868 237 HB2 HIS 31 HB2 HIS 31 13.486 6.579 4.030 238 HB3 HIS 31 HB1 HIS 31 12.719 6.753 2.455 239 HD1 HIS 31 HD1 HIS 31 15.479 7.998 4.293 240 HD2 HIS 31 HD2 HIS 31 12.711 9.748 1.737 241 HE1 HIS 31 HE1 HIS 31 16.544 10.113 3.432 242 H CYS 32 H CYS 32 10.549 6.643 1.986 243 HA CYS 32 HA CYS 32 9.896 8.872 0.466 244 HB2 CYS 32 HB2 CYS 32 9.272 6.035 0.490 245 HB3 CYS 32 HB1 CYS 32 7.926 6.991 -0.166 246 H GLN 33 H GLN 33 7.864 7.001 2.660 247 HA GLN 33 HA GLN 33 5.556 8.368 2.726 248 HB2 GLN 33 HB2 GLN 33 5.877 6.350 3.859 249 HB3 GLN 33 HB1 GLN 33 7.199 7.001 4.800 250 HG2 GLN 33 HG2 GLN 33 5.622 8.579 5.774 251 HG3 GLN 33 HG1 GLN 33 4.299 7.666 5.038 252 HE21 GLN 33 HE21 GLN 33 6.729 7.749 7.478 253 HE22 GLN 33 HE22 GLN 33 6.247 6.329 8.331 254 H MET 34 H MET 34 8.357 9.007 4.942 255 HA MET 34 HA MET 34 7.015 11.206 6.095 256 HB2 MET 34 HB2 MET 34 9.008 11.680 7.365 257 HB3 MET 34 HB1 MET 34 8.648 9.954 7.402 258 HG2 MET 34 HG2 MET 34 10.437 9.637 5.714 259 HG3 MET 34 HG1 MET 34 10.800 11.359 5.851 260 HE1 MET 34 HE1 MET 34 13.834 9.700 7.714 261 HE2 MET 34 HE2 MET 34 13.333 10.728 6.370 262 HE3 MET 34 HE3 MET 34 12.995 8.998 6.337 263 H HIS 35 H HIS 35 9.579 11.041 3.701 264 HA HIS 35 HA HIS 35 9.850 13.839 3.589 265 HB2 HIS 35 HB2 HIS 35 10.826 11.621 1.885 266 HB3 HIS 35 HB1 HIS 35 10.910 13.239 1.212 267 HD1 HIS 35 HD1 HIS 35 12.900 14.626 1.937 268 HD2 HIS 35 HD2 HIS 35 12.216 11.372 4.422 269 HE1 HIS 35 HE1 HIS 35 14.795 14.589 3.561 270 H LEU 36 H LEU 36 7.564 11.775 2.047 271 HA LEU 36 HA LEU 36 6.703 13.958 0.368 272 HB2 LEU 36 HB2 LEU 36 5.564 11.208 0.752 273 HB3 LEU 36 HB1 LEU 36 4.924 12.388 -0.382 274 HG LEU 36 HG LEU 36 7.678 11.186 -0.433 275 HD11 LEU 36 HD11 LEU 36 5.330 10.727 -2.250 276 HD12 LEU 36 HD12 LEU 36 5.951 9.601 -1.043 277 HD13 LEU 36 HD13 LEU 36 6.939 10.032 -2.440 278 HD21 LEU 36 HD21 LEU 36 7.903 12.256 -2.637 279 HD22 LEU 36 HD22 LEU 36 7.739 13.431 -1.338 280 HD23 LEU 36 HD23 LEU 36 6.361 13.069 -2.383 281 H THR 37 H THR 37 5.724 12.571 3.443 282 HA THR 37 HA THR 37 3.313 14.156 3.367 283 HB THR 37 HB THR 37 2.880 13.311 5.653 284 HG1 THR 37 HG1 THR 37 5.092 11.589 5.297 285 HG21 THR 37 HG21 THR 37 3.710 11.191 3.685 286 HG22 THR 37 HG22 THR 37 2.134 11.978 3.752 287 HG23 THR 37 HG23 THR 37 2.659 10.933 5.072 288 H SER 38 H SER 38 6.508 14.777 4.064 289 HA SER 38 HA SER 38 5.920 16.727 6.090 290 HB2 SER 38 HB2 SER 38 8.411 17.113 6.138 291 HB3 SER 38 HB1 SER 38 7.875 15.489 6.564 292 HG SER 38 HG SER 38 8.578 14.716 4.778 293 H PHE 39 H PHE 39 5.394 18.695 5.673 294 HA PHE 39 HA PHE 39 6.573 19.973 3.333 295 HB2 PHE 39 HB2 PHE 39 4.162 20.757 4.999 296 HB3 PHE 39 HB1 PHE 39 4.857 21.777 3.745 297 HD1 PHE 39 HD1 PHE 39 2.471 19.274 4.457 298 HD2 PHE 39 HD2 PHE 39 5.048 20.722 1.414 299 HE1 PHE 39 HE1 PHE 39 1.098 18.154 2.752 300 HE2 PHE 39 HE2 PHE 39 3.676 19.596 -0.294 301 HZ PHE 39 HZ PHE 39 1.707 18.322 0.375 302 H ASP 40 H ASP 40 8.459 20.712 3.964 303 HA ASP 40 HA ASP 40 8.850 21.402 6.729 304 HB2 ASP 40 HB2 ASP 40 10.466 20.101 5.158 305 HB3 ASP 40 HB1 ASP 40 10.914 21.689 4.558 306 H TYR 41 H TYR 41 10.328 23.392 6.964 307 HA TYR 41 HA TYR 41 8.616 25.595 6.057 308 HB2 TYR 41 HB2 TYR 41 9.362 26.724 8.160 309 HB3 TYR 41 HB1 TYR 41 8.491 25.192 8.323 310 HD1 TYR 41 HD1 TYR 41 11.894 26.652 8.512 311 HD2 TYR 41 HD2 TYR 41 9.378 23.370 9.481 312 HE1 TYR 41 HE1 TYR 41 13.672 25.712 9.889 313 HE2 TYR 41 HE2 TYR 41 11.154 22.415 10.885 314 HH TYR 41 HH TYR 41 13.464 22.512 11.173 315 H LYS 42 H LYS 42 11.959 24.553 6.301 316 HA LYS 42 HA LYS 42 12.819 27.218 5.589 317 HB2 LYS 42 HB2 LYS 42 15.006 26.637 6.163 318 HB3 LYS 42 HB1 LYS 42 13.966 25.655 7.198 319 HG2 LYS 42 HG2 LYS 42 15.166 24.546 4.666 320 HG3 LYS 42 HG1 LYS 42 16.058 24.544 6.181 321 HD2 LYS 42 HD2 LYS 42 14.222 23.232 7.198 322 HD3 LYS 42 HD1 LYS 42 13.410 23.238 5.629 323 HE2 LYS 42 HE2 LYS 42 15.096 21.928 4.627 324 HE3 LYS 42 HE1 LYS 42 16.203 22.178 5.973 325 HZ1 LYS 42 HZ1 LYS 42 14.903 20.798 7.349 326 HZ2 LYS 42 HZ2 LYS 42 15.110 19.921 5.938 327 HZ3 LYS 42 HZ3 LYS 42 13.637 20.667 6.275 328 H LEU 43 H LEU 43 11.505 25.004 3.873 329 HA LEU 43 HA LEU 43 13.131 24.665 1.583 330 HB2 LEU 43 HB2 LEU 43 10.123 24.745 1.708 331 HB3 LEU 43 HB1 LEU 43 11.094 24.020 0.445 332 HG LEU 43 HG LEU 43 11.032 23.101 3.289 333 HD11 LEU 43 HD11 LEU 43 9.715 21.197 2.418 334 HD12 LEU 43 HD12 LEU 43 9.585 22.036 0.864 335 HD13 LEU 43 HD13 LEU 43 8.888 22.743 2.327 336 HD21 LEU 43 HD21 LEU 43 12.127 21.085 2.410 337 HD22 LEU 43 HD22 LEU 43 13.105 22.531 2.178 338 HD23 LEU 43 HD23 LEU 43 12.217 21.838 0.816 339 H ARG 44 H ARG 44 13.987 26.686 1.098 340 HA ARG 44 HA ARG 44 12.068 28.605 -0.113 341 HB2 ARG 44 HB2 ARG 44 14.779 29.189 1.075 342 HB3 ARG 44 HB1 ARG 44 13.771 30.356 0.250 343 HG2 ARG 44 HG2 ARG 44 12.080 30.111 2.022 344 HG3 ARG 44 HG1 ARG 44 13.157 28.983 2.861 345 HD2 ARG 44 HD2 ARG 44 14.900 30.727 2.893 346 HD3 ARG 44 HD1 ARG 44 13.768 31.837 2.141 347 HE ARG 44 HE ARG 44 12.469 31.068 4.357 348 HH11 ARG 44 HH11 ARG 44 15.700 32.341 3.740 349 HH12 ARG 44 HH12 ARG 44 15.853 33.136 5.248 350 HH21 ARG 44 HH21 ARG 44 12.667 32.189 6.458 351 HH22 ARG 44 HH22 ARG 44 14.112 33.041 6.805 352 H MET 45 H MET 45 15.095 26.954 -0.339 353 HA MET 45 HA MET 45 15.564 27.938 -3.059 354 HB2 MET 45 HB2 MET 45 17.386 26.476 -1.141 355 HB3 MET 45 HB1 MET 45 17.848 27.119 -2.704 356 HG2 MET 45 HG2 MET 45 17.508 29.370 -1.935 357 HG3 MET 45 HG1 MET 45 16.880 28.788 -0.394 358 HE1 MET 45 HE1 MET 45 19.182 30.966 -0.597 359 HE2 MET 45 HE2 MET 45 20.277 30.386 0.659 360 HE3 MET 45 HE3 MET 45 18.534 30.345 0.920 361 H ALA 46 H ALA 46 13.946 25.625 -1.617 362 HA ALA 46 HA ALA 46 14.687 23.573 -3.549 363 HB1 ALA 46 HB1 ALA 46 14.273 21.855 -1.887 364 HB2 ALA 46 HB2 ALA 46 13.917 23.090 -0.680 365 HB3 ALA 46 HB3 ALA 46 15.546 22.952 -1.348 366 H VAL 47 H VAL 47 13.069 24.048 -4.887 367 HA VAL 47 HA VAL 47 10.336 23.440 -3.974 368 HB VAL 47 HB VAL 47 11.197 24.987 -6.455 369 HG11 VAL 47 HG11 VAL 47 8.817 25.540 -6.710 370 HG12 VAL 47 HG12 VAL 47 8.440 24.550 -5.302 371 HG13 VAL 47 HG13 VAL 47 9.083 23.797 -6.762 372 HG21 VAL 47 HG21 VAL 47 10.275 26.992 -5.359 373 HG22 VAL 47 HG22 VAL 47 11.632 26.314 -4.459 374 HG23 VAL 47 HG23 VAL 47 9.983 26.045 -3.900 375 H GLU 48 H GLU 48 12.258 23.447 -6.956 376 HA GLU 48 HA GLU 48 11.963 20.553 -7.142 377 HB2 GLU 48 HB2 GLU 48 12.029 22.497 -9.486 378 HB3 GLU 48 HB1 GLU 48 11.916 20.749 -9.598 379 HG2 GLU 48 HG2 GLU 48 9.708 20.884 -8.467 380 HG3 GLU 48 HG1 GLU 48 9.826 22.641 -8.552 381 H ASN 49 H ASN 49 13.924 20.017 -6.458 382 HA ASN 49 HA ASN 49 16.238 21.407 -7.566 383 HB2 ASN 49 HB2 ASN 49 15.654 22.572 -5.475 384 HB3 ASN 49 HB1 ASN 49 15.614 21.055 -4.609 385 HD21 ASN 49 HD21 ASN 49 17.145 23.606 -4.257 386 HD22 ASN 49 HD22 ASN 49 18.799 23.126 -4.190 387 HA PRO 50 HA PRO 50 17.663 17.210 -8.097 388 HB2 PRO 50 HB2 PRO 50 20.388 17.736 -7.790 389 HB3 PRO 50 HB1 PRO 50 19.487 17.834 -9.304 390 HG2 PRO 50 HG2 PRO 50 20.234 20.006 -7.397 391 HG3 PRO 50 HG1 PRO 50 20.207 20.032 -9.170 392 HD2 PRO 50 HD2 PRO 50 18.284 21.195 -7.759 393 HD3 PRO 50 HD1 PRO 50 17.889 20.302 -9.246 394 H LYS 51 H LYS 51 18.701 19.127 -5.340 395 HA LYS 51 HA LYS 51 19.769 16.871 -3.915 396 HB2 LYS 51 HB2 LYS 51 18.981 19.540 -2.882 397 HB3 LYS 51 HB1 LYS 51 19.984 18.343 -2.056 398 HG2 LYS 51 HG2 LYS 51 21.660 18.551 -3.851 399 HG3 LYS 51 HG1 LYS 51 20.671 19.809 -4.598 400 HD2 LYS 51 HD2 LYS 51 21.969 19.867 -1.900 401 HD3 LYS 51 HD1 LYS 51 22.383 20.848 -3.319 402 HE2 LYS 51 HE2 LYS 51 20.127 21.848 -3.213 403 HE3 LYS 51 HE1 LYS 51 19.823 20.888 -1.776 404 HZ1 LYS 51 HZ1 LYS 51 20.480 23.125 -1.186 405 HZ2 LYS 51 HZ2 LYS 51 21.950 22.933 -2.002 406 HZ3 LYS 51 HZ3 LYS 51 21.604 22.000 -0.643 407 H GLN 52 H GLN 52 16.699 18.127 -4.438 408 HA GLN 52 HA GLN 52 15.525 16.976 -2.047 409 HB2 GLN 52 HB2 GLN 52 14.305 18.259 -4.489 410 HB3 GLN 52 HB1 GLN 52 13.348 17.562 -3.187 411 HG2 GLN 52 HG2 GLN 52 15.350 19.774 -2.852 412 HG3 GLN 52 HG1 GLN 52 13.607 20.007 -3.015 413 HE21 GLN 52 HE21 GLN 52 12.273 19.377 -1.331 414 HE22 GLN 52 HE22 GLN 52 12.862 19.086 0.262 415 H GLN 53 H GLN 53 16.454 15.978 -5.122 416 HA GLN 53 HA GLN 53 14.588 13.805 -5.388 417 HB2 GLN 53 HB2 GLN 53 17.198 14.327 -6.812 418 HB3 GLN 53 HB1 GLN 53 16.000 13.132 -7.284 419 HG2 GLN 53 HG2 GLN 53 14.402 14.891 -7.697 420 HG3 GLN 53 HG1 GLN 53 15.588 16.109 -7.220 421 HE21 GLN 53 HE21 GLN 53 14.585 13.933 -9.689 422 HE22 GLN 53 HE22 GLN 53 15.698 14.439 -10.904 423 H GLN 54 H GLN 54 16.992 14.372 -3.349 424 HA GLN 54 HA GLN 54 18.656 12.180 -3.127 425 HB2 GLN 54 HB2 GLN 54 18.832 12.770 -0.738 426 HB3 GLN 54 HB1 GLN 54 18.876 14.202 -1.759 427 HG2 GLN 54 HG2 GLN 54 16.541 14.657 -1.266 428 HG3 GLN 54 HG1 GLN 54 16.435 13.216 -0.297 429 HE21 GLN 54 HE21 GLN 54 19.247 15.310 -0.273 430 HE22 GLN 54 HE22 GLN 54 19.037 15.914 1.315 431 H HIS 55 H HIS 55 15.353 12.629 -2.019 432 HA HIS 55 HA HIS 55 15.251 10.291 -0.490 433 HB2 HIS 55 HB2 HIS 55 12.743 10.659 -0.474 434 HB3 HIS 55 HB1 HIS 55 13.706 11.990 0.134 435 HD1 HIS 55 HD1 HIS 55 11.889 13.814 -0.359 436 HD2 HIS 55 HD2 HIS 55 13.101 11.637 -3.662 437 HE1 HIS 55 HE1 HIS 55 10.786 14.898 -2.313 438 H LEU 56 H LEU 56 14.961 10.803 -3.847 439 HA LEU 56 HA LEU 56 13.484 8.350 -4.276 440 HB2 LEU 56 HB2 LEU 56 13.150 10.246 -5.830 441 HB3 LEU 56 HB1 LEU 56 14.837 10.199 -6.265 442 HG LEU 56 HG LEU 56 13.192 9.265 -7.964 443 HD11 LEU 56 HD11 LEU 56 15.526 8.752 -8.220 444 HD12 LEU 56 HD12 LEU 56 14.546 7.345 -8.634 445 HD13 LEU 56 HD13 LEU 56 15.382 7.413 -7.082 446 HD21 LEU 56 HD21 LEU 56 12.404 6.982 -7.658 447 HD22 LEU 56 HD22 LEU 56 11.729 8.085 -6.457 448 HD23 LEU 56 HD23 LEU 56 13.038 6.989 -6.013 449 H SER 57 H SER 57 16.768 9.554 -4.621 450 HA SER 57 HA SER 57 17.956 7.289 -5.674 451 HB2 SER 57 HB2 SER 57 19.124 9.239 -3.687 452 HB3 SER 57 HB1 SER 57 20.022 8.226 -4.821 453 HG SER 57 HG SER 57 18.983 9.313 -6.506 454 H LEU 58 H LEU 58 17.030 8.074 -2.418 455 HA LEU 58 HA LEU 58 18.327 5.768 -1.280 456 HB2 LEU 58 HB2 LEU 58 16.344 7.646 -0.009 457 HB3 LEU 58 HB1 LEU 58 17.451 6.568 0.816 458 HG LEU 58 HG LEU 58 18.225 8.952 -0.845 459 HD11 LEU 58 HD11 LEU 58 18.352 8.511 2.131 460 HD12 LEU 58 HD12 LEU 58 17.230 9.565 1.276 461 HD13 LEU 58 HD13 LEU 58 18.960 9.929 1.272 462 HD21 LEU 58 HD21 LEU 58 20.507 8.542 -0.011 463 HD22 LEU 58 HD22 LEU 58 19.912 7.225 -1.018 464 HD23 LEU 58 HD23 LEU 58 19.951 7.044 0.738 465 H CYS 59 H CYS 59 14.972 6.834 -1.772 466 HA CYS 59 HA CYS 59 13.712 4.570 -0.696 467 HB2 CYS 59 HB2 CYS 59 12.731 6.803 -1.106 468 HB3 CYS 59 HB1 CYS 59 12.671 6.430 -2.820 469 H CYS 60 H CYS 60 14.403 5.373 -4.166 470 HA CYS 60 HA CYS 60 13.351 3.040 -5.271 471 HB2 CYS 60 HB2 CYS 60 13.879 4.927 -6.693 472 HB3 CYS 60 HB1 CYS 60 15.563 4.886 -6.214 473 H ASN 61 H ASN 61 16.451 3.719 -3.848 474 HA ASN 61 HA ASN 61 17.697 1.292 -4.749 475 HB2 ASN 61 HB2 ASN 61 18.894 3.311 -4.208 476 HB3 ASN 61 HB1 ASN 61 18.533 3.118 -2.494 477 HD21 ASN 61 HD21 ASN 61 19.635 1.463 -1.360 478 HD22 ASN 61 HD22 ASN 61 21.035 0.711 -1.997 479 H GLN 62 H GLN 62 15.888 2.279 -2.006 480 HA GLN 62 HA GLN 62 16.523 0.025 -0.382 481 HB2 GLN 62 HB2 GLN 62 15.923 2.179 0.610 482 HB3 GLN 62 HB1 GLN 62 14.367 2.135 -0.189 483 HG2 GLN 62 HG2 GLN 62 14.122 1.635 2.143 484 HG3 GLN 62 HG1 GLN 62 13.738 0.211 1.183 485 HE21 GLN 62 HE21 GLN 62 15.952 1.644 3.385 486 HE22 GLN 62 HE22 GLN 62 16.832 0.223 3.789 487 H LEU 63 H LEU 63 13.851 1.001 -2.424 488 HA LEU 63 HA LEU 63 12.253 -1.250 -1.778 489 HB2 LEU 63 HB2 LEU 63 10.691 -0.403 -3.388 490 HB3 LEU 63 HB1 LEU 63 11.401 0.976 -2.585 491 HG LEU 63 HG LEU 63 12.987 1.016 -4.630 492 HD11 LEU 63 HD11 LEU 63 12.205 -1.020 -5.620 493 HD12 LEU 63 HD12 LEU 63 11.916 0.372 -6.672 494 HD13 LEU 63 HD13 LEU 63 10.579 -0.351 -5.761 495 HD21 LEU 63 HD21 LEU 63 11.578 2.808 -4.028 496 HD22 LEU 63 HD22 LEU 63 10.148 1.951 -4.607 497 HD23 LEU 63 HD23 LEU 63 11.389 2.494 -5.759 498 H GLN 64 H GLN 64 14.598 -0.538 -4.256 499 HA GLN 64 HA GLN 64 13.952 -2.696 -5.965 500 HB2 GLN 64 HB2 GLN 64 15.924 -2.117 -7.216 501 HB3 GLN 64 HB1 GLN 64 15.198 -0.633 -6.595 502 HG2 GLN 64 HG2 GLN 64 16.749 -0.444 -4.899 503 HG3 GLN 64 HG1 GLN 64 17.486 -2.007 -5.265 504 HE21 GLN 64 HE21 GLN 64 19.517 -1.116 -5.646 505 HE22 GLN 64 HE22 GLN 64 19.852 -0.165 -7.041 506 H GLU 65 H GLU 65 15.545 -2.646 -2.984 507 HA GLU 65 HA GLU 65 17.091 -5.001 -3.556 508 HB2 GLU 65 HB2 GLU 65 16.633 -3.561 -0.945 509 HB3 GLU 65 HB1 GLU 65 17.729 -4.922 -1.152 510 HG2 GLU 65 HG2 GLU 65 18.902 -3.562 -2.924 511 HG3 GLU 65 HG1 GLU 65 17.930 -2.196 -2.400 512 H VAL 66 H VAL 66 13.996 -4.302 -2.820 513 HA VAL 66 HA VAL 66 13.232 -6.807 -1.548 514 HB VAL 66 HB VAL 66 11.504 -4.697 -2.923 515 HG11 VAL 66 HG11 VAL 66 10.742 -6.686 -0.805 516 HG12 VAL 66 HG12 VAL 66 10.364 -6.807 -2.523 517 HG13 VAL 66 HG13 VAL 66 9.679 -5.493 -1.562 518 HG21 VAL 66 HG21 VAL 66 12.311 -4.839 -0.033 519 HG22 VAL 66 HG22 VAL 66 11.099 -3.749 -0.722 520 HG23 VAL 66 HG23 VAL 66 12.782 -3.616 -1.222 521 H GLU 67 H GLU 67 11.729 -8.300 -2.788 522 HA GLU 67 HA GLU 67 12.699 -9.278 -5.183 523 HB2 GLU 67 HB2 GLU 67 10.003 -9.373 -3.936 524 HB3 GLU 67 HB1 GLU 67 10.361 -10.270 -5.416 525 HG2 GLU 67 HG2 GLU 67 12.018 -11.487 -4.324 526 HG3 GLU 67 HG1 GLU 67 11.857 -10.549 -2.829 527 H LYS 68 H LYS 68 12.173 -9.039 -7.314 528 HA LYS 68 HA LYS 68 11.638 -6.446 -8.168 529 HB2 LYS 68 HB2 LYS 68 11.557 -7.340 -10.460 530 HB3 LYS 68 HB1 LYS 68 12.964 -7.872 -9.576 531 HG2 LYS 68 HG2 LYS 68 11.831 -10.042 -9.187 532 HG3 LYS 68 HG1 LYS 68 10.502 -9.476 -10.198 533 HD2 LYS 68 HD2 LYS 68 11.943 -10.775 -11.609 534 HD3 LYS 68 HD1 LYS 68 12.147 -9.052 -11.975 535 HE2 LYS 68 HE2 LYS 68 14.304 -10.227 -11.952 536 HE3 LYS 68 HE1 LYS 68 14.225 -8.971 -10.731 537 HZ1 LYS 68 HZ1 LYS 68 13.818 -11.879 -10.200 538 HZ2 LYS 68 HZ2 LYS 68 13.887 -10.669 -9.031 539 HZ3 LYS 68 HZ3 LYS 68 15.238 -11.048 -9.921 540 H GLN 69 H GLN 69 9.429 -9.076 -7.778 541 HA GLN 69 HA GLN 69 7.292 -7.709 -9.173 542 HB2 GLN 69 HB2 GLN 69 5.843 -9.541 -8.355 543 HB3 GLN 69 HB1 GLN 69 7.288 -10.146 -9.149 544 HG2 GLN 69 HG2 GLN 69 8.307 -10.585 -6.975 545 HG3 GLN 69 HG1 GLN 69 6.875 -9.952 -6.173 546 HE21 GLN 69 HE21 GLN 69 4.991 -11.189 -6.157 547 HE22 GLN 69 HE22 GLN 69 5.003 -12.855 -6.574 548 H CYS 70 H CYS 70 8.618 -7.646 -6.062 549 HA CYS 70 HA CYS 70 6.188 -6.654 -4.801 550 HB2 CYS 70 HB2 CYS 70 8.816 -7.489 -3.604 551 HB3 CYS 70 HB1 CYS 70 7.346 -7.121 -2.706 552 H GLN 71 H GLN 71 9.066 -5.558 -6.184 553 HA GLN 71 HA GLN 71 9.768 -3.287 -4.670 554 HB2 GLN 71 HB2 GLN 71 9.978 -3.916 -7.603 555 HB3 GLN 71 HB1 GLN 71 10.602 -2.430 -6.895 556 HG2 GLN 71 HG2 GLN 71 12.107 -3.651 -5.500 557 HG3 GLN 71 HG1 GLN 71 11.409 -5.184 -6.009 558 HE21 GLN 71 HE21 GLN 71 13.467 -5.845 -6.648 559 HE22 GLN 71 HE22 GLN 71 14.178 -5.314 -8.136 560 H CYS 72 H CYS 72 7.409 -3.614 -7.293 561 HA CYS 72 HA CYS 72 6.678 -0.894 -6.937 562 HB2 CYS 72 HB2 CYS 72 4.827 -1.389 -8.542 563 HB3 CYS 72 HB1 CYS 72 6.474 -1.660 -9.100 564 H GLU 73 H GLU 73 5.741 -3.826 -5.600 565 HA GLU 73 HA GLU 73 3.213 -3.056 -4.751 566 HB2 GLU 73 HB2 GLU 73 5.101 -5.097 -3.616 567 HB3 GLU 73 HB1 GLU 73 3.449 -4.940 -3.059 568 HG2 GLU 73 HG2 GLU 73 4.271 -5.547 -5.890 569 HG3 GLU 73 HG1 GLU 73 3.710 -6.735 -4.724 570 H ALA 74 H ALA 74 6.430 -2.719 -3.440 571 HA ALA 74 HA ALA 74 5.934 -1.818 -0.881 572 HB1 ALA 74 HB1 ALA 74 8.134 -2.453 -1.805 573 HB2 ALA 74 HB2 ALA 74 8.174 -0.903 -0.975 574 HB3 ALA 74 HB3 ALA 74 8.156 -0.961 -2.742 575 H ILE 75 H ILE 75 5.586 -0.304 -3.945 576 HA ILE 75 HA ILE 75 5.649 2.430 -3.161 577 HB ILE 75 HB ILE 75 4.294 1.197 -5.549 578 HG12 ILE 75 HG12 ILE 75 6.540 0.428 -5.555 579 HG13 ILE 75 HG11 ILE 75 6.429 1.689 -6.780 580 HG21 ILE 75 HG21 ILE 75 5.368 3.984 -5.197 581 HG22 ILE 75 HG22 ILE 75 3.683 3.501 -5.067 582 HG23 ILE 75 HG23 ILE 75 4.508 3.344 -6.608 583 HD11 ILE 75 HD11 ILE 75 7.488 3.223 -5.112 584 HD12 ILE 75 HD12 ILE 75 8.470 1.845 -5.624 585 HD13 ILE 75 HD13 ILE 75 7.674 1.809 -4.053 586 H LYS 76 H LYS 76 3.212 -0.075 -3.411 587 HA LYS 76 HA LYS 76 0.885 1.562 -3.450 588 HB2 LYS 76 HB2 LYS 76 1.147 -1.214 -2.265 589 HB3 LYS 76 HB1 LYS 76 -0.302 -0.462 -2.901 590 HG2 LYS 76 HG2 LYS 76 2.087 -1.264 -4.548 591 HG3 LYS 76 HG1 LYS 76 0.628 -2.233 -4.357 592 HD2 LYS 76 HD2 LYS 76 -0.667 -0.373 -5.359 593 HD3 LYS 76 HD1 LYS 76 0.850 0.502 -5.592 594 HE2 LYS 76 HE2 LYS 76 0.100 -0.669 -7.638 595 HE3 LYS 76 HE1 LYS 76 1.679 -1.209 -7.075 596 HZ1 LYS 76 HZ1 LYS 76 -0.852 -2.679 -6.483 597 HZ2 LYS 76 HZ2 LYS 76 0.750 -3.235 -6.273 598 HZ3 LYS 76 HZ3 LYS 76 0.145 -3.008 -7.791 599 H GLN 77 H GLN 77 2.805 -0.090 -1.141 600 HA GLN 77 HA GLN 77 1.341 0.302 1.197 601 HB2 GLN 77 HB2 GLN 77 4.334 0.194 1.130 602 HB3 GLN 77 HB1 GLN 77 3.262 -0.318 2.418 603 HG2 GLN 77 HG2 GLN 77 2.428 -2.016 0.514 604 HG3 GLN 77 HG1 GLN 77 3.999 -1.644 -0.102 605 HE21 GLN 77 HE21 GLN 77 5.209 -1.185 2.479 606 HE22 GLN 77 HE22 GLN 77 5.428 -2.762 3.173 607 H VAL 78 H VAL 78 3.974 2.225 -0.227 608 HA VAL 78 HA VAL 78 4.401 4.081 1.791 609 HB VAL 78 HB VAL 78 4.288 4.987 -1.085 610 HG11 VAL 78 HG11 VAL 78 6.001 5.886 1.183 611 HG12 VAL 78 HG12 VAL 78 4.549 6.671 0.587 612 HG13 VAL 78 HG13 VAL 78 5.971 6.556 -0.459 613 HG21 VAL 78 HG21 VAL 78 6.615 3.619 0.236 614 HG22 VAL 78 HG22 VAL 78 6.592 4.313 -1.387 615 HG23 VAL 78 HG23 VAL 78 5.592 2.907 -1.005 616 H VAL 79 H VAL 79 1.968 4.056 -0.752 617 HA VAL 79 HA VAL 79 1.054 6.697 -0.221 618 HB VAL 79 HB VAL 79 -0.547 4.499 -1.500 619 HG11 VAL 79 HG11 VAL 79 -1.688 6.330 -2.655 620 HG12 VAL 79 HG12 VAL 79 -0.617 7.485 -1.852 621 HG13 VAL 79 HG13 VAL 79 -1.741 6.534 -0.893 622 HG21 VAL 79 HG21 VAL 79 1.584 4.549 -2.627 623 HG22 VAL 79 HG22 VAL 79 1.494 6.303 -2.815 624 HG23 VAL 79 HG23 VAL 79 0.361 5.258 -3.683 625 H GLU 80 H GLU 80 -0.031 3.472 0.543 626 HA GLU 80 HA GLU 80 -2.386 4.262 1.844 627 HB2 GLU 80 HB2 GLU 80 -0.857 1.684 2.043 628 HB3 GLU 80 HB1 GLU 80 -2.439 1.950 2.762 629 HG2 GLU 80 HG2 GLU 80 -3.283 2.520 0.489 630 HG3 GLU 80 HG1 GLU 80 -1.714 2.014 -0.137 631 H GLN 81 H GLN 81 0.830 3.650 3.078 632 HA GLN 81 HA GLN 81 -0.074 3.957 5.775 633 HB2 GLN 81 HB2 GLN 81 2.297 3.735 6.429 634 HB3 GLN 81 HB1 GLN 81 1.791 2.454 5.347 635 HG2 GLN 81 HG2 GLN 81 2.873 3.741 3.475 636 HG3 GLN 81 HG1 GLN 81 3.509 4.833 4.698 637 HE21 GLN 81 HE21 GLN 81 5.066 4.108 6.091 638 HE22 GLN 81 HE22 GLN 81 6.009 2.674 5.808 639 H ALA 82 H ALA 82 1.337 6.080 3.384 640 HA ALA 82 HA ALA 82 1.928 8.157 5.240 641 HB1 ALA 82 HB1 ALA 82 1.623 8.294 2.244 642 HB2 ALA 82 HB2 ALA 82 3.119 7.946 3.108 643 HB3 ALA 82 HB3 ALA 82 2.354 9.529 3.267 644 H GLN 83 H GLN 83 -0.822 7.376 3.217 645 HA GLN 83 HA GLN 83 -2.094 9.895 3.684 646 HB2 GLN 83 HB2 GLN 83 -4.051 8.938 2.573 647 HB3 GLN 83 HB1 GLN 83 -2.598 8.622 1.642 648 HG2 GLN 83 HG2 GLN 83 -2.548 6.333 2.600 649 HG3 GLN 83 HG1 GLN 83 -4.077 6.673 3.398 650 HE21 GLN 83 HE21 GLN 83 -5.059 8.205 1.125 651 HE22 GLN 83 HE22 GLN 83 -5.484 7.064 -0.089 652 H LYS 84 H LYS 84 -2.172 6.742 5.156 653 HA LYS 84 HA LYS 84 -4.495 7.279 6.719 654 HB2 LYS 84 HB2 LYS 84 -4.125 5.138 7.778 655 HB3 LYS 84 HB1 LYS 84 -3.857 4.982 6.057 656 HG2 LYS 84 HG2 LYS 84 -2.086 3.758 6.844 657 HG3 LYS 84 HG1 LYS 84 -1.351 5.356 6.719 658 HD2 LYS 84 HD2 LYS 84 -0.690 4.473 8.794 659 HD3 LYS 84 HD1 LYS 84 -1.928 5.707 9.080 660 HE2 LYS 84 HE2 LYS 84 -3.635 4.013 9.367 661 HE3 LYS 84 HE1 LYS 84 -2.487 2.743 8.963 662 HZ1 LYS 84 HZ1 LYS 84 -2.394 4.502 11.344 663 HZ2 LYS 84 HZ2 LYS 84 -1.245 3.333 10.980 664 HZ3 LYS 84 HZ3 LYS 84 -2.832 2.878 11.331 665 H GLN 85 H GLN 85 -1.072 7.721 7.198 666 HA GLN 85 HA GLN 85 -1.265 8.075 9.997 667 HB2 GLN 85 HB2 GLN 85 1.032 8.828 9.918 668 HB3 GLN 85 HB1 GLN 85 0.797 7.547 8.721 669 HG2 GLN 85 HG2 GLN 85 0.807 9.047 6.946 670 HG3 GLN 85 HG1 GLN 85 0.725 10.430 8.029 671 HE21 GLN 85 HE21 GLN 85 2.550 11.060 9.122 672 HE22 GLN 85 HE22 GLN 85 4.120 10.504 8.659 673 H LEU 86 H LEU 86 -1.438 10.265 7.251 674 HA LEU 86 HA LEU 86 -1.651 12.564 8.908 675 HB2 LEU 86 HB2 LEU 86 -1.703 12.014 6.014 676 HB3 LEU 86 HB1 LEU 86 -2.630 13.414 6.474 677 HG LEU 86 HG LEU 86 -0.445 14.040 5.781 678 HD11 LEU 86 HD11 LEU 86 -1.543 15.371 7.464 679 HD12 LEU 86 HD12 LEU 86 0.206 15.377 7.714 680 HD13 LEU 86 HD13 LEU 86 -0.837 14.382 8.739 681 HD21 LEU 86 HD21 LEU 86 0.800 12.028 6.367 682 HD22 LEU 86 HD22 LEU 86 0.561 12.401 8.082 683 HD23 LEU 86 HD23 LEU 86 1.533 13.468 7.081 684 H GLN 87 H GLN 87 -3.844 10.364 7.452 685 HA GLN 87 HA GLN 87 -6.303 11.650 7.736 686 HB2 GLN 87 HB2 GLN 87 -5.852 9.525 6.531 687 HB3 GLN 87 HB1 GLN 87 -5.674 8.724 8.080 688 HG2 GLN 87 HG2 GLN 87 -8.028 9.423 8.583 689 HG3 GLN 87 HG1 GLN 87 -8.150 9.928 6.898 690 HE21 GLN 87 HE21 GLN 87 -9.658 8.432 6.368 691 HE22 GLN 87 HE22 GLN 87 -9.347 6.742 6.275 692 H GLN 88 H GLN 88 -4.454 9.654 9.972 693 HA GLN 88 HA GLN 88 -6.495 9.829 12.054 694 HB2 GLN 88 HB2 GLN 88 -5.091 8.299 13.301 695 HB3 GLN 88 HB1 GLN 88 -5.316 7.714 11.652 696 HG2 GLN 88 HG2 GLN 88 -3.104 8.571 11.058 697 HG3 GLN 88 HG1 GLN 88 -2.882 9.125 12.714 698 HE21 GLN 88 HE21 GLN 88 -2.449 7.621 14.310 699 HE22 GLN 88 HE22 GLN 88 -2.021 5.997 13.958 700 H GLY 89 H GLY 89 -4.140 11.725 11.013 701 HA2 GLY 89 HA2 GLY 89 -3.180 12.537 13.653 702 HA3 GLY 89 HA1 GLY 89 -2.463 13.006 12.119 703 H GLN 90 H GLN 90 -3.664 14.509 10.817 704 HA GLN 90 HA GLN 90 -5.275 16.363 12.469 705 HB2 GLN 90 HB2 GLN 90 -3.925 18.233 11.604 706 HB3 GLN 90 HB1 GLN 90 -3.022 17.113 12.626 707 HG2 GLN 90 HG2 GLN 90 -2.058 16.066 10.634 708 HG3 GLN 90 HG1 GLN 90 -2.961 17.174 9.613 709 HE21 GLN 90 HE21 GLN 90 -2.510 19.466 11.332 710 HE22 GLN 90 HE22 GLN 90 -0.853 19.889 11.145 711 H GLY 91 H GLY 91 -4.599 15.012 9.376 712 HA2 GLY 91 HA2 GLY 91 -6.494 15.368 7.736 713 HA3 GLY 91 HA1 GLY 91 -6.122 17.082 8.004 714 H GLY 92 H GLY 92 -4.998 17.775 6.235 715 HA2 GLY 92 HA2 GLY 92 -3.025 18.043 5.144 716 HA3 GLY 92 HA1 GLY 92 -2.365 16.687 6.022 717 H GLN 93 H GLN 93 -4.797 15.208 5.024 718 HA GLN 93 HA GLN 93 -3.620 13.537 3.170 719 HB2 GLN 93 HB2 GLN 93 -6.564 14.135 3.265 720 HB3 GLN 93 HB1 GLN 93 -5.795 12.619 2.821 721 HG2 GLN 93 HG2 GLN 93 -5.133 12.249 5.120 722 HG3 GLN 93 HG1 GLN 93 -5.766 13.819 5.599 723 HE21 GLN 93 HE21 GLN 93 -7.311 13.130 7.001 724 HE22 GLN 93 HE22 GLN 93 -8.673 12.202 6.519 725 H GLN 94 H GLN 94 -5.557 16.380 2.678 726 HA GLN 94 HA GLN 94 -5.749 16.152 -0.185 727 HB2 GLN 94 HB2 GLN 94 -6.879 18.317 -0.070 728 HB3 GLN 94 HB1 GLN 94 -7.541 17.189 1.108 729 HG2 GLN 94 HG2 GLN 94 -6.070 18.238 2.809 730 HG3 GLN 94 HG1 GLN 94 -5.631 19.437 1.615 731 HE21 GLN 94 HE21 GLN 94 -8.376 19.511 0.508 732 HE22 GLN 94 HE22 GLN 94 -9.322 20.372 1.661 733 H GLN 95 H GLN 95 -3.739 17.986 2.047 734 HA GLN 95 HA GLN 95 -2.573 19.513 -0.110 735 HB2 GLN 95 HB2 GLN 95 -1.079 20.461 1.657 736 HB3 GLN 95 HB1 GLN 95 -2.813 20.677 2.001 737 HG2 GLN 95 HG2 GLN 95 -2.734 18.894 3.519 738 HG3 GLN 95 HG1 GLN 95 -1.025 18.608 3.194 739 HE21 GLN 95 HE21 GLN 95 -3.326 20.666 4.722 740 HE22 GLN 95 HE22 GLN 95 -2.226 21.590 5.657 741 H VAL 96 H VAL 96 -1.654 16.978 2.024 742 HA VAL 96 HA VAL 96 0.952 16.534 1.083 743 HB VAL 96 HB VAL 96 -0.978 14.593 2.417 744 HG11 VAL 96 HG11 VAL 96 0.973 13.316 3.043 745 HG12 VAL 96 HG12 VAL 96 1.966 14.311 1.950 746 HG13 VAL 96 HG13 VAL 96 0.671 13.300 1.307 747 HG21 VAL 96 HG21 VAL 96 0.368 15.039 4.430 748 HG22 VAL 96 HG22 VAL 96 -0.528 16.432 3.863 749 HG23 VAL 96 HG23 VAL 96 1.222 16.315 3.559 750 H GLN 97 H GLN 97 -2.152 15.739 -0.190 751 HA GLN 97 HA GLN 97 -1.754 13.517 -1.755 752 HB2 GLN 97 HB2 GLN 97 -3.899 14.650 -1.575 753 HB3 GLN 97 HB1 GLN 97 -3.265 15.998 -2.513 754 HG2 GLN 97 HG2 GLN 97 -2.948 14.525 -4.418 755 HG3 GLN 97 HG1 GLN 97 -3.615 13.177 -3.511 756 HE21 GLN 97 HE21 GLN 97 -4.245 16.109 -5.165 757 HE22 GLN 97 HE22 GLN 97 -5.962 16.018 -5.194 758 H GLN 98 H GLN 98 -0.865 16.838 -2.550 759 HA GLN 98 HA GLN 98 -0.061 16.217 -5.199 760 HB2 GLN 98 HB2 GLN 98 0.809 18.485 -5.309 761 HB3 GLN 98 HB1 GLN 98 -0.801 18.458 -4.614 762 HG2 GLN 98 HG2 GLN 98 0.270 18.585 -2.360 763 HG3 GLN 98 HG1 GLN 98 1.808 18.844 -3.181 764 HE21 GLN 98 HE21 GLN 98 2.065 20.891 -2.360 765 HE22 GLN 98 HE22 GLN 98 1.092 22.220 -2.865 766 H MET 99 H MET 99 1.494 15.769 -2.219 767 HA MET 99 HA MET 99 4.145 15.683 -3.501 768 HB2 MET 99 HB2 MET 99 3.452 16.717 -1.095 769 HB3 MET 99 HB1 MET 99 3.688 15.047 -0.669 770 HG2 MET 99 HG2 MET 99 5.717 16.261 -0.255 771 HG3 MET 99 HG1 MET 99 5.915 14.996 -1.469 772 HE1 MET 99 HE1 MET 99 8.264 16.079 -2.140 773 HE2 MET 99 HE2 MET 99 8.017 17.329 -0.924 774 HE3 MET 99 HE3 MET 99 8.461 17.778 -2.572 775 H VAL 100 H VAL 100 1.957 13.794 -1.560 776 HA VAL 100 HA VAL 100 3.455 11.431 -1.803 777 HB VAL 100 HB VAL 100 1.713 11.672 -0.064 778 HG11 VAL 100 HG11 VAL 100 -0.640 11.291 -0.587 779 HG12 VAL 100 HG12 VAL 100 -0.243 11.332 -2.312 780 HG13 VAL 100 HG13 VAL 100 0.014 12.763 -1.306 781 HG21 VAL 100 HG21 VAL 100 0.798 9.395 -0.180 782 HG22 VAL 100 HG22 VAL 100 2.520 9.465 -0.601 783 HG23 VAL 100 HG23 VAL 100 1.301 9.330 -1.874 784 H LYS 101 H LYS 101 1.213 12.888 -4.050 785 HA LYS 101 HA LYS 101 0.880 10.650 -5.674 786 HB2 LYS 101 HB2 LYS 101 0.186 12.153 -7.435 787 HB3 LYS 101 HB1 LYS 101 -0.461 12.655 -5.870 788 HG2 LYS 101 HG2 LYS 101 0.086 14.663 -6.805 789 HG3 LYS 101 HG1 LYS 101 1.533 14.269 -5.874 790 HD2 LYS 101 HD2 LYS 101 2.697 13.567 -7.857 791 HD3 LYS 101 HD1 LYS 101 1.220 13.676 -8.816 792 HE2 LYS 101 HE2 LYS 101 1.177 16.119 -8.380 793 HE3 LYS 101 HE1 LYS 101 2.716 15.965 -7.537 794 HZ1 LYS 101 HZ1 LYS 101 2.246 15.310 -10.399 795 HZ2 LYS 101 HZ2 LYS 101 3.734 15.211 -9.611 796 HZ3 LYS 101 HZ3 LYS 101 2.997 16.694 -9.839 797 H LYS 102 H LYS 102 3.684 12.558 -5.208 798 HA LYS 102 HA LYS 102 5.080 11.909 -7.587 799 HB2 LYS 102 HB2 LYS 102 6.050 12.504 -4.794 800 HB3 LYS 102 HB1 LYS 102 7.110 12.314 -6.182 801 HG2 LYS 102 HG2 LYS 102 6.366 14.288 -7.173 802 HG3 LYS 102 HG1 LYS 102 4.907 14.345 -6.179 803 HD2 LYS 102 HD2 LYS 102 6.576 16.007 -5.447 804 HD3 LYS 102 HD1 LYS 102 6.232 14.814 -4.207 805 HE2 LYS 102 HE2 LYS 102 8.526 15.180 -4.195 806 HE3 LYS 102 HE1 LYS 102 8.281 13.600 -4.896 807 HZ1 LYS 102 HZ1 LYS 102 8.897 16.088 -6.422 808 HZ2 LYS 102 HZ2 LYS 102 8.633 14.584 -7.139 809 HZ3 LYS 102 HZ3 LYS 102 9.950 14.816 -6.138 810 H ALA 103 H ALA 103 4.363 10.219 -4.642 811 HA ALA 103 HA ALA 103 6.280 8.168 -4.840 812 HB1 ALA 103 HB1 ALA 103 3.540 7.992 -3.578 813 HB2 ALA 103 HB2 ALA 103 5.017 8.522 -2.772 814 HB3 ALA 103 HB3 ALA 103 4.863 6.855 -3.324 815 H GLN 104 H GLN 104 3.354 8.766 -6.516 816 HA GLN 104 HA GLN 104 2.901 6.073 -7.350 817 HB2 GLN 104 HB2 GLN 104 1.815 8.639 -8.499 818 HB3 GLN 104 HB1 GLN 104 1.209 7.023 -8.830 819 HG2 GLN 104 HG2 GLN 104 0.684 6.798 -6.405 820 HG3 GLN 104 HG1 GLN 104 1.141 8.486 -6.208 821 HE21 GLN 104 HE21 GLN 104 -1.161 6.299 -7.479 822 HE22 GLN 104 HE22 GLN 104 -2.411 7.429 -7.810 823 H MET 105 H MET 105 5.029 8.516 -8.268 824 HA MET 105 HA MET 105 5.299 7.587 -11.007 825 HB2 MET 105 HB2 MET 105 6.967 9.510 -9.491 826 HB3 MET 105 HB1 MET 105 7.034 9.244 -11.219 827 HG2 MET 105 HG2 MET 105 4.623 9.936 -11.298 828 HG3 MET 105 HG1 MET 105 4.820 10.500 -9.655 829 HE1 MET 105 HE1 MET 105 4.829 13.816 -11.827 830 HE2 MET 105 HE2 MET 105 4.009 12.941 -10.536 831 HE3 MET 105 HE3 MET 105 3.953 12.328 -12.191 832 H LEU 106 H LEU 106 6.451 6.831 -7.977 833 HA LEU 106 HA LEU 106 9.144 6.300 -8.308 834 HB2 LEU 106 HB2 LEU 106 7.161 4.750 -6.680 835 HB3 LEU 106 HB1 LEU 106 8.888 4.545 -6.554 836 HG LEU 106 HG LEU 106 7.281 6.990 -5.889 837 HD11 LEU 106 HD11 LEU 106 7.994 6.541 -3.566 838 HD12 LEU 106 HD12 LEU 106 8.758 5.050 -4.114 839 HD13 LEU 106 HD13 LEU 106 7.009 5.246 -4.241 840 HD21 LEU 106 HD21 LEU 106 9.439 7.682 -6.714 841 HD22 LEU 106 HD22 LEU 106 10.245 6.548 -5.630 842 HD23 LEU 106 HD23 LEU 106 9.365 7.926 -4.969 843 HA PRO 107 HA PRO 107 8.171 1.859 -9.988 844 HB2 PRO 107 HB2 PRO 107 5.782 1.647 -11.330 845 HB3 PRO 107 HB1 PRO 107 6.051 1.071 -9.680 846 HG2 PRO 107 HG2 PRO 107 4.818 3.613 -10.628 847 HG3 PRO 107 HG1 PRO 107 4.323 2.555 -9.288 848 HD2 PRO 107 HD2 PRO 107 5.657 4.841 -8.852 849 HD3 PRO 107 HD1 PRO 107 5.965 3.409 -7.873 850 H ASN 108 H ASN 108 7.203 4.882 -11.548 851 HA ASN 108 HA ASN 108 7.783 3.874 -14.140 852 HB2 ASN 108 HB2 ASN 108 7.128 6.588 -13.001 853 HB3 ASN 108 HB1 ASN 108 7.469 6.302 -14.689 854 HD21 ASN 108 HD21 ASN 108 5.096 6.062 -12.142 855 HD22 ASN 108 HD22 ASN 108 3.792 5.603 -13.161 856 H GLN 109 H GLN 109 9.135 6.000 -11.692 857 HA GLN 109 HA GLN 109 11.406 6.848 -13.214 858 HB2 GLN 109 HB2 GLN 109 11.002 7.003 -10.232 859 HB3 GLN 109 HB1 GLN 109 12.141 7.933 -11.188 860 HG2 GLN 109 HG2 GLN 109 9.139 8.123 -11.266 861 HG3 GLN 109 HG1 GLN 109 10.252 9.300 -10.579 862 HE21 GLN 109 HE21 GLN 109 11.474 10.554 -11.964 863 HE22 GLN 109 HE22 GLN 109 11.041 10.764 -13.626 864 H CYS 110 H CYS 110 10.887 4.431 -10.702 865 HA CYS 110 HA CYS 110 13.714 3.789 -10.542 866 HB2 CYS 110 HB2 CYS 110 11.969 3.808 -8.609 867 HB3 CYS 110 HB1 CYS 110 11.412 2.318 -9.284 868 H ASN 111 H ASN 111 11.293 3.140 -12.614 869 HA ASN 111 HA ASN 111 10.792 1.667 -14.206 870 HB2 ASN 111 HB2 ASN 111 13.211 2.166 -14.821 871 HB3 ASN 111 HB1 ASN 111 13.652 0.693 -13.971 872 HD21 ASN 111 HD21 ASN 111 12.133 2.027 -16.752 873 HD22 ASN 111 HD22 ASN 111 11.983 0.567 -17.660 874 H LEU 112 H LEU 112 9.640 0.888 -12.312 875 HA LEU 112 HA LEU 112 10.400 -1.776 -11.437 876 HB2 LEU 112 HB2 LEU 112 8.041 -0.139 -10.539 877 HB3 LEU 112 HB1 LEU 112 8.643 -1.603 -9.791 878 HG LEU 112 HG LEU 112 10.041 1.047 -9.908 879 HD11 LEU 112 HD11 LEU 112 8.908 -0.489 -7.575 880 HD12 LEU 112 HD12 LEU 112 8.257 1.006 -8.241 881 HD13 LEU 112 HD13 LEU 112 9.828 1.000 -7.459 882 HD21 LEU 112 HD21 LEU 112 10.999 -1.552 -8.712 883 HD22 LEU 112 HD22 LEU 112 11.813 0.014 -8.583 884 HD23 LEU 112 HD23 LEU 112 11.647 -0.759 -10.145 885 H GLN 113 H GLN 113 8.791 -3.503 -11.365 886 HA GLN 113 HA GLN 113 7.674 -4.095 -13.925 887 HB2 GLN 113 HB2 GLN 113 7.103 -5.506 -11.325 888 HB3 GLN 113 HB1 GLN 113 6.918 -6.164 -12.939 889 HG2 GLN 113 HG2 GLN 113 9.463 -5.364 -11.624 890 HG3 GLN 113 HG1 GLN 113 8.892 -7.022 -11.810 891 HE21 GLN 113 HE21 GLN 113 11.359 -5.822 -12.737 892 HE22 GLN 113 HE22 GLN 113 11.384 -6.009 -14.448 893 H CYS 114 H CYS 114 6.461 -1.796 -12.811 894 HA CYS 114 HA CYS 114 3.673 -2.381 -13.079 895 HB2 CYS 114 HB2 CYS 114 5.075 -1.491 -10.694 896 HB3 CYS 114 HB1 CYS 114 3.364 -0.999 -10.849 897 H SER 115 H SER 115 2.700 -0.463 -13.789 898 HA SER 115 HA SER 115 4.382 1.925 -13.909 899 HB2 SER 115 HB2 SER 115 2.775 0.790 -16.207 900 HB3 SER 115 HB1 SER 115 3.709 2.286 -16.228 901 HG SER 115 HG SER 115 4.915 0.709 -17.140 902 H ILE 116 H ILE 116 3.312 3.497 -12.926 903 HA ILE 116 HA ILE 116 0.394 3.402 -12.848 904 HB ILE 116 HB ILE 116 2.188 5.396 -11.432 905 HG12 ILE 116 HG12 ILE 116 2.796 3.171 -10.636 906 HG13 ILE 116 HG11 ILE 116 1.944 4.053 -9.377 907 HG21 ILE 116 HG21 ILE 116 0.218 5.702 -9.957 908 HG22 ILE 116 HG22 ILE 116 -0.684 4.589 -10.982 909 HG23 ILE 116 HG23 ILE 116 -0.105 6.118 -11.641 910 HD11 ILE 116 HD11 ILE 116 -0.074 2.762 -9.927 911 HD12 ILE 116 HD12 ILE 116 1.301 1.779 -9.401 912 HD13 ILE 116 HD13 ILE 116 0.876 1.850 -11.116 Start of MODEL 6 1 H1 GLY 1 H GLY 1 1.695 -16.091 12.509 2 H2 GLY 1 HT1 GLY 1 2.130 -16.032 13.874 3 H3 GLY 1 HT2 GLY 1 1.348 -16.052 12.364 4 HA2 GLY 1 HA1 GLY 1 1.727 -13.773 13.197 5 HA3 GLY 1 HA2 GLY 1 0.041 -14.156 12.917 6 H ARG 2 H ARG 2 2.381 -13.212 15.217 7 HA ARG 2 HA ARG 2 0.495 -13.600 17.414 8 HB2 ARG 2 HB2 ARG 2 3.321 -12.519 17.451 9 HB3 ARG 2 HB1 ARG 2 2.320 -12.805 18.861 10 HG2 ARG 2 HG2 ARG 2 3.391 -14.889 16.975 11 HG3 ARG 2 HG1 ARG 2 3.984 -14.536 18.599 12 HD2 ARG 2 HD2 ARG 2 1.258 -15.619 17.874 13 HD3 ARG 2 HD1 ARG 2 2.580 -16.529 18.593 14 HE ARG 2 HE ARG 2 1.427 -14.234 20.010 15 HH11 ARG 2 HH11 ARG 2 2.167 -17.696 19.963 16 HH12 ARG 2 HH12 ARG 2 1.525 -17.993 21.511 17 HH21 ARG 2 HH21 ARG 2 0.533 -14.641 22.103 18 HH22 ARG 2 HH22 ARG 2 0.555 -16.220 22.752 19 H CYS 3 H CYS 3 -0.181 -11.802 18.669 20 HA CYS 3 HA CYS 3 0.364 -9.170 17.622 21 HB2 CYS 3 HB2 CYS 3 -1.738 -10.246 16.496 22 HB3 CYS 3 HB1 CYS 3 -2.498 -9.915 18.077 23 H THR 4 H THR 4 -0.486 -7.598 19.074 24 HA THR 4 HA THR 4 -0.043 -8.498 21.788 25 HB THR 4 HB THR 4 -0.027 -6.102 22.387 26 HG1 THR 4 HG1 THR 4 -0.436 -4.574 20.956 27 HG21 THR 4 HG21 THR 4 1.940 -5.444 21.066 28 HG22 THR 4 HG22 THR 4 1.609 -6.754 19.936 29 HG23 THR 4 HG23 THR 4 2.051 -7.120 21.605 30 H LYS 5 H LYS 5 -1.455 -7.914 23.529 31 HA LYS 5 HA LYS 5 -4.248 -8.144 22.795 32 HB2 LYS 5 HB2 LYS 5 -2.943 -7.960 25.475 33 HB3 LYS 5 HB1 LYS 5 -4.620 -8.395 25.172 34 HG2 LYS 5 HG2 LYS 5 -2.199 -10.019 24.344 35 HG3 LYS 5 HG1 LYS 5 -3.249 -10.385 25.708 36 HD2 LYS 5 HD2 LYS 5 -4.149 -10.283 22.820 37 HD3 LYS 5 HD1 LYS 5 -3.707 -11.753 23.677 38 HE2 LYS 5 HE2 LYS 5 -5.972 -9.884 24.410 39 HE3 LYS 5 HE1 LYS 5 -6.137 -11.445 23.617 40 HZ1 LYS 5 HZ1 LYS 5 -5.099 -10.997 26.372 41 HZ2 LYS 5 HZ2 LYS 5 -5.143 -12.481 25.598 42 HZ3 LYS 5 HZ3 LYS 5 -6.577 -11.686 25.955 43 H SER 6 H SER 6 -4.173 -6.077 21.791 44 HA SER 6 HA SER 6 -4.767 -3.956 23.698 45 HB2 SER 6 HB2 SER 6 -2.775 -3.851 21.467 46 HB3 SER 6 HB1 SER 6 -3.315 -2.426 22.389 47 HG SER 6 HG SER 6 -2.561 -4.306 24.073 48 H ILE 7 H ILE 7 -5.989 -2.216 22.615 49 HA ILE 7 HA ILE 7 -6.909 -2.891 19.929 50 HB ILE 7 HB ILE 7 -8.675 -1.883 22.198 51 HG12 ILE 7 HG12 ILE 7 -8.724 -4.489 20.651 52 HG13 ILE 7 HG11 ILE 7 -8.151 -4.294 22.300 53 HG21 ILE 7 HG21 ILE 7 -10.523 -1.991 20.573 54 HG22 ILE 7 HG22 ILE 7 -9.381 -2.432 19.305 55 HG23 ILE 7 HG23 ILE 7 -9.287 -0.841 20.060 56 HD11 ILE 7 HD11 ILE 7 -10.409 -3.675 22.993 57 HD12 ILE 7 HD12 ILE 7 -10.340 -5.270 22.232 58 HD13 ILE 7 HD13 ILE 7 -10.958 -3.885 21.323 59 HA PRO 8 HA PRO 8 -6.858 -2.182 18.053 60 HB2 PRO 8 HB2 PRO 8 -4.727 -0.763 16.650 61 HB3 PRO 8 HB1 PRO 8 -6.399 -1.046 16.155 62 HG2 PRO 8 HG2 PRO 8 -5.467 1.414 16.827 63 HG3 PRO 8 HG1 PRO 8 -7.147 0.917 17.091 64 HD2 PRO 8 HD2 PRO 8 -4.873 1.028 19.038 65 HD3 PRO 8 HD1 PRO 8 -6.562 1.536 19.253 66 HA PRO 9 HA PRO 9 -3.373 -4.531 19.457 67 HB2 PRO 9 HB2 PRO 9 -3.536 -6.629 17.776 68 HB3 PRO 9 HB1 PRO 9 -4.718 -6.357 19.062 69 HG2 PRO 9 HG2 PRO 9 -4.908 -5.692 16.151 70 HG3 PRO 9 HG1 PRO 9 -6.112 -6.466 17.199 71 HD2 PRO 9 HD2 PRO 9 -6.204 -3.832 16.578 72 HD3 PRO 9 HD1 PRO 9 -6.758 -4.462 18.145 73 H ILE 10 H ILE 10 -1.280 -5.216 18.845 74 HA ILE 10 HA ILE 10 -0.237 -3.916 16.415 75 HB ILE 10 HB ILE 10 1.228 -4.701 18.953 76 HG12 ILE 10 HG12 ILE 10 -0.377 -2.940 19.491 77 HG13 ILE 10 HG11 ILE 10 1.264 -2.321 19.593 78 HG21 ILE 10 HG21 ILE 10 2.099 -2.972 16.652 79 HG22 ILE 10 HG22 ILE 10 2.660 -4.605 17.008 80 HG23 ILE 10 HG23 ILE 10 3.039 -3.282 18.112 81 HD11 ILE 10 HD11 ILE 10 0.961 -1.276 17.378 82 HD12 ILE 10 HD12 ILE 10 -0.197 -0.692 18.577 83 HD13 ILE 10 HD13 ILE 10 -0.699 -1.872 17.362 84 H CYS 11 H CYS 11 0.148 -5.535 14.907 85 HA CYS 11 HA CYS 11 0.598 -8.169 16.059 86 HB2 CYS 11 HB2 CYS 11 -0.369 -7.500 13.269 87 HB3 CYS 11 HB1 CYS 11 -0.150 -9.110 13.946 88 H PHE 12 H PHE 12 2.195 -9.473 15.327 89 HA PHE 12 HA PHE 12 4.465 -7.937 14.360 90 HB2 PHE 12 HB2 PHE 12 4.264 -10.487 15.947 91 HB3 PHE 12 HB1 PHE 12 5.783 -9.885 15.292 92 HD1 PHE 12 HD1 PHE 12 6.533 -7.595 15.944 93 HD2 PHE 12 HD2 PHE 12 3.432 -9.666 17.983 94 HE1 PHE 12 HE1 PHE 12 6.835 -6.126 17.841 95 HE2 PHE 12 HE2 PHE 12 3.720 -8.187 19.928 96 HZ PHE 12 HZ PHE 12 5.422 -6.405 19.872 97 HA PRO 13 HA PRO 13 4.684 -10.252 10.566 98 HB2 PRO 13 HB2 PRO 13 7.303 -9.964 9.977 99 HB3 PRO 13 HB1 PRO 13 6.197 -8.587 9.937 100 HG2 PRO 13 HG2 PRO 13 8.165 -9.378 12.042 101 HG3 PRO 13 HG1 PRO 13 7.783 -7.768 11.412 102 HD2 PRO 13 HD2 PRO 13 6.811 -8.796 13.757 103 HD3 PRO 13 HD1 PRO 13 6.000 -7.515 12.862 104 H ASP 14 H ASP 14 4.600 -11.771 12.740 105 HA ASP 14 HA ASP 14 6.645 -13.561 13.380 106 HB2 ASP 14 HB2 ASP 14 4.783 -13.261 14.839 107 HB3 ASP 14 HB1 ASP 14 3.661 -13.750 13.584 108 H GLY 15 H GLY 15 3.902 -14.064 11.253 109 HA2 GLY 15 HA2 GLY 15 5.366 -16.341 10.110 110 HA3 GLY 15 HA1 GLY 15 3.623 -16.096 10.003 111 H LEU 16 H LEU 16 3.544 -13.398 9.276 112 HA LEU 16 HA LEU 16 5.123 -12.828 7.080 113 HB2 LEU 16 HB2 LEU 16 3.245 -12.972 5.426 114 HB3 LEU 16 HB1 LEU 16 3.873 -14.521 5.931 115 HG LEU 16 HG LEU 16 1.874 -14.626 7.529 116 HD11 LEU 16 HD11 LEU 16 0.805 -12.479 5.713 117 HD12 LEU 16 HD12 LEU 16 1.252 -12.278 7.396 118 HD13 LEU 16 HD13 LEU 16 -0.102 -13.340 6.970 119 HD21 LEU 16 HD21 LEU 16 1.424 -14.707 4.556 120 HD22 LEU 16 HD22 LEU 16 0.392 -15.474 5.765 121 HD23 LEU 16 HD23 LEU 16 2.062 -16.009 5.559 122 H ASP 17 H ASP 17 4.187 -10.863 6.121 123 HA ASP 17 HA ASP 17 2.153 -9.547 7.759 124 HB2 ASP 17 HB2 ASP 17 3.361 -7.539 8.117 125 HB3 ASP 17 HB1 ASP 17 4.421 -8.851 8.589 126 H ASN 18 H ASN 18 2.404 -10.718 5.060 127 HA ASN 18 HA ASN 18 2.193 -8.568 3.204 128 HB2 ASN 18 HB2 ASN 18 1.407 -10.269 1.550 129 HB3 ASN 18 HB1 ASN 18 2.947 -10.682 2.255 130 HD21 ASN 18 HD21 ASN 18 -0.352 -11.628 1.812 131 HD22 ASN 18 HD22 ASN 18 -0.217 -13.125 2.638 132 HA PRO 19 HA PRO 19 -2.085 -7.849 4.147 133 HB2 PRO 19 HB2 PRO 19 -1.880 -5.613 2.252 134 HB3 PRO 19 HB1 PRO 19 -2.193 -5.571 3.987 135 HG2 PRO 19 HG2 PRO 19 0.160 -4.705 2.983 136 HG3 PRO 19 HG1 PRO 19 0.049 -5.553 4.541 137 HD2 PRO 19 HD2 PRO 19 0.845 -6.659 1.878 138 HD3 PRO 19 HD1 PRO 19 1.605 -6.820 3.489 139 H ARG 20 H ARG 20 -0.660 -8.211 1.048 140 HA ARG 20 HA ARG 20 -3.167 -9.445 0.157 141 HB2 ARG 20 HB2 ARG 20 -1.430 -7.821 -1.737 142 HB3 ARG 20 HB1 ARG 20 -2.877 -8.707 -2.164 143 HG2 ARG 20 HG2 ARG 20 -3.554 -6.486 -2.112 144 HG3 ARG 20 HG1 ARG 20 -4.081 -7.119 -0.551 145 HD2 ARG 20 HD2 ARG 20 -1.873 -6.327 0.335 146 HD3 ARG 20 HD1 ARG 20 -1.687 -5.434 -1.163 147 HE ARG 20 HE ARG 20 -4.215 -4.892 -0.026 148 HH11 ARG 20 HH11 ARG 20 -0.798 -3.921 0.373 149 HH12 ARG 20 HH12 ARG 20 -1.222 -2.478 1.201 150 HH21 ARG 20 HH21 ARG 20 -4.683 -2.927 1.053 151 HH22 ARG 20 HH22 ARG 20 -3.400 -1.901 1.542 152 H GLY 21 H GLY 21 0.108 -8.939 -0.864 153 HA2 GLY 21 HA2 GLY 21 0.494 -11.770 -0.786 154 HA3 GLY 21 HA1 GLY 21 0.622 -11.063 -2.417 155 H CYS 22 H CYS 22 1.901 -8.826 -2.003 156 HA CYS 22 HA CYS 22 4.485 -9.745 -1.211 157 HB2 CYS 22 HB2 CYS 22 3.489 -7.241 -2.511 158 HB3 CYS 22 HB1 CYS 22 5.133 -7.417 -1.918 159 H GLN 23 H GLN 23 5.435 -9.355 0.590 160 HA GLN 23 HA GLN 23 4.189 -7.468 2.428 161 HB2 GLN 23 HB2 GLN 23 5.320 -8.747 4.221 162 HB3 GLN 23 HB1 GLN 23 4.177 -9.713 3.318 163 HG2 GLN 23 HG2 GLN 23 6.173 -10.534 1.980 164 HG3 GLN 23 HG1 GLN 23 7.158 -9.760 3.212 165 HE21 GLN 23 HE21 GLN 23 6.935 -12.540 2.507 166 HE22 GLN 23 HE22 GLN 23 6.477 -13.356 3.964 167 H ILE 24 H ILE 24 5.159 -5.613 2.214 168 HA ILE 24 HA ILE 24 8.061 -5.695 1.980 169 HB ILE 24 HB ILE 24 6.394 -3.251 1.254 170 HG12 ILE 24 HG12 ILE 24 7.037 -3.946 -1.175 171 HG13 ILE 24 HG11 ILE 24 7.223 -5.558 -0.501 172 HG21 ILE 24 HG21 ILE 24 9.192 -4.101 0.534 173 HG22 ILE 24 HG22 ILE 24 8.768 -2.895 1.755 174 HG23 ILE 24 HG23 ILE 24 8.412 -2.600 0.047 175 HD11 ILE 24 HD11 ILE 24 5.073 -5.290 -1.536 176 HD12 ILE 24 HD12 ILE 24 4.730 -3.895 -0.520 177 HD13 ILE 24 HD13 ILE 24 4.872 -5.502 0.207 178 H ARG 25 H ARG 25 9.210 -4.744 3.479 179 HA ARG 25 HA ARG 25 7.957 -4.291 5.959 180 HB2 ARG 25 HB2 ARG 25 10.212 -3.786 6.777 181 HB3 ARG 25 HB1 ARG 25 10.150 -5.302 5.895 182 HG2 ARG 25 HG2 ARG 25 11.042 -3.989 3.899 183 HG3 ARG 25 HG1 ARG 25 11.301 -2.671 5.034 184 HD2 ARG 25 HD2 ARG 25 12.744 -4.090 6.385 185 HD3 ARG 25 HD1 ARG 25 12.497 -5.429 5.265 186 HE ARG 25 HE ARG 25 13.893 -2.917 4.689 187 HH11 ARG 25 HH11 ARG 25 13.289 -6.342 3.901 188 HH12 ARG 25 HH12 ARG 25 14.578 -6.462 2.794 189 HH21 ARG 25 HH21 ARG 25 15.636 -3.094 3.105 190 HH22 ARG 25 HH22 ARG 25 15.952 -4.600 2.369 191 H ILE 26 H ILE 26 7.089 -2.535 6.709 192 HA ILE 26 HA ILE 26 7.038 -0.194 5.157 193 HB ILE 26 HB ILE 26 5.783 0.867 7.063 194 HG12 ILE 26 HG12 ILE 26 4.868 -0.820 8.784 195 HG13 ILE 26 HG11 ILE 26 6.211 -1.852 8.338 196 HG21 ILE 26 HG21 ILE 26 4.820 -1.771 6.042 197 HG22 ILE 26 HG22 ILE 26 4.671 -0.202 5.240 198 HG23 ILE 26 HG23 ILE 26 3.796 -0.515 6.745 199 HD11 ILE 26 HD11 ILE 26 6.664 -0.647 10.381 200 HD12 ILE 26 HD12 ILE 26 6.402 0.893 9.561 201 HD13 ILE 26 HD13 ILE 26 7.771 -0.126 9.110 202 H GLN 27 H GLN 27 9.284 -1.247 7.322 203 HA GLN 27 HA GLN 27 10.193 1.287 8.287 204 HB2 GLN 27 HB2 GLN 27 12.040 0.063 9.219 205 HB3 GLN 27 HB1 GLN 27 10.539 -0.838 9.445 206 HG2 GLN 27 HG2 GLN 27 11.097 -2.305 7.627 207 HG3 GLN 27 HG1 GLN 27 12.561 -1.391 7.300 208 HE21 GLN 27 HE21 GLN 27 14.305 -1.601 8.673 209 HE22 GLN 27 HE22 GLN 27 14.432 -2.899 9.805 210 H GLN 28 H GLN 28 10.391 -0.246 5.281 211 HA GLN 28 HA GLN 28 12.889 1.123 4.741 212 HB2 GLN 28 HB2 GLN 28 13.186 -0.227 2.860 213 HB3 GLN 28 HB1 GLN 28 12.416 -1.263 4.043 214 HG2 GLN 28 HG2 GLN 28 10.424 -1.351 2.934 215 HG3 GLN 28 HG1 GLN 28 10.735 0.143 2.052 216 HE21 GLN 28 HE21 GLN 28 13.162 -2.338 2.313 217 HE22 GLN 28 HE22 GLN 28 13.059 -2.812 0.650 218 H LEU 29 H LEU 29 9.541 1.495 4.416 219 HA LEU 29 HA LEU 29 9.872 3.438 2.233 220 HB2 LEU 29 HB2 LEU 29 7.323 2.373 3.414 221 HB3 LEU 29 HB1 LEU 29 7.417 3.625 2.200 222 HG LEU 29 HG LEU 29 6.906 1.818 0.958 223 HD11 LEU 29 HD11 LEU 29 9.899 1.809 0.959 224 HD12 LEU 29 HD12 LEU 29 8.846 2.890 0.074 225 HD13 LEU 29 HD13 LEU 29 8.875 1.163 -0.336 226 HD21 LEU 29 HD21 LEU 29 8.721 0.161 2.685 227 HD22 LEU 29 HD22 LEU 29 7.838 -0.456 1.281 228 HD23 LEU 29 HD23 LEU 29 6.961 0.160 2.689 229 H ASN 30 H ASN 30 9.962 3.387 5.429 230 HA ASN 30 HA ASN 30 8.344 5.461 6.223 231 HB2 ASN 30 HB2 ASN 30 9.940 5.837 8.139 232 HB3 ASN 30 HB1 ASN 30 9.306 4.210 7.964 233 HD21 ASN 30 HD21 ASN 30 11.025 3.550 9.270 234 HD22 ASN 30 HD22 ASN 30 12.595 3.278 8.612 235 H HIS 31 H HIS 31 11.368 5.646 4.580 236 HA HIS 31 HA HIS 31 11.881 8.397 5.148 237 HB2 HIS 31 HB2 HIS 31 13.567 6.699 4.230 238 HB3 HIS 31 HB1 HIS 31 12.762 6.931 2.677 239 HD1 HIS 31 HD1 HIS 31 15.691 7.976 4.223 240 HD2 HIS 31 HD2 HIS 31 12.674 10.013 2.245 241 HE1 HIS 31 HE1 HIS 31 16.701 10.129 3.449 242 H CYS 32 H CYS 32 10.649 6.768 2.237 243 HA CYS 32 HA CYS 32 9.901 9.027 0.805 244 HB2 CYS 32 HB2 CYS 32 9.397 6.153 0.700 245 HB3 CYS 32 HB1 CYS 32 8.062 7.106 -0.002 246 H GLN 33 H GLN 33 7.936 6.991 2.958 247 HA GLN 33 HA GLN 33 5.572 8.295 2.915 248 HB2 GLN 33 HB2 GLN 33 5.846 6.268 4.043 249 HB3 GLN 33 HB1 GLN 33 7.078 6.932 5.103 250 HG2 GLN 33 HG2 GLN 33 5.447 8.494 5.926 251 HG3 GLN 33 HG1 GLN 33 4.153 7.629 5.084 252 HE21 GLN 33 HE21 GLN 33 6.973 6.371 6.767 253 HE22 GLN 33 HE22 GLN 33 6.119 5.497 7.982 254 H MET 34 H MET 34 8.257 8.957 5.228 255 HA MET 34 HA MET 34 6.782 11.071 6.410 256 HB2 MET 34 HB2 MET 34 8.731 11.622 7.749 257 HB3 MET 34 HB1 MET 34 8.399 9.891 7.777 258 HG2 MET 34 HG2 MET 34 10.265 9.554 6.221 259 HG3 MET 34 HG1 MET 34 10.563 11.292 6.227 260 HE1 MET 34 HE1 MET 34 13.128 10.681 6.849 261 HE2 MET 34 HE2 MET 34 12.757 8.957 6.969 262 HE3 MET 34 HE3 MET 34 13.582 9.774 8.292 263 H HIS 35 H HIS 35 9.372 11.062 4.085 264 HA HIS 35 HA HIS 35 9.510 13.888 4.076 265 HB2 HIS 35 HB2 HIS 35 10.715 11.788 2.353 266 HB3 HIS 35 HB1 HIS 35 10.845 13.470 1.859 267 HD1 HIS 35 HD1 HIS 35 12.464 14.962 3.251 268 HD2 HIS 35 HD2 HIS 35 12.042 11.107 4.720 269 HE1 HIS 35 HE1 HIS 35 14.247 14.679 4.992 270 H LEU 36 H LEU 36 7.441 11.713 2.369 271 HA LEU 36 HA LEU 36 6.692 13.840 0.585 272 HB2 LEU 36 HB2 LEU 36 5.567 11.091 0.914 273 HB3 LEU 36 HB1 LEU 36 5.012 12.276 -0.275 274 HG LEU 36 HG LEU 36 7.749 11.086 -0.084 275 HD11 LEU 36 HD11 LEU 36 7.168 9.920 -2.163 276 HD12 LEU 36 HD12 LEU 36 5.542 10.600 -2.059 277 HD13 LEU 36 HD13 LEU 36 6.112 9.483 -0.819 278 HD21 LEU 36 HD21 LEU 36 6.592 12.962 -2.130 279 HD22 LEU 36 HD22 LEU 36 8.138 12.132 -2.291 280 HD23 LEU 36 HD23 LEU 36 7.904 13.308 -0.999 281 H THR 37 H THR 37 5.600 12.592 3.629 282 HA THR 37 HA THR 37 3.122 13.979 3.273 283 HB THR 37 HB THR 37 2.719 13.412 5.644 284 HG1 THR 37 HG1 THR 37 4.864 11.599 5.449 285 HG21 THR 37 HG21 THR 37 1.935 11.994 3.866 286 HG22 THR 37 HG22 THR 37 2.522 10.979 5.195 287 HG23 THR 37 HG23 THR 37 3.522 11.241 3.759 288 H SER 38 H SER 38 6.205 14.712 4.341 289 HA SER 38 HA SER 38 5.408 17.004 5.884 290 HB2 SER 38 HB2 SER 38 8.085 15.889 5.165 291 HB3 SER 38 HB1 SER 38 7.805 17.224 6.303 292 HG SER 38 HG SER 38 7.387 14.511 6.520 293 H PHE 39 H PHE 39 5.067 18.938 4.957 294 HA PHE 39 HA PHE 39 6.266 19.500 2.404 295 HB2 PHE 39 HB2 PHE 39 4.441 21.133 4.173 296 HB3 PHE 39 HB1 PHE 39 5.193 21.803 2.727 297 HD1 PHE 39 HD1 PHE 39 4.874 20.432 0.557 298 HD2 PHE 39 HD2 PHE 39 2.367 20.096 3.977 299 HE1 PHE 39 HE1 PHE 39 3.090 19.504 -0.846 300 HE2 PHE 39 HE2 PHE 39 0.595 19.168 2.583 301 HZ PHE 39 HZ PHE 39 0.950 18.870 0.165 302 H ASP 40 H ASP 40 8.277 19.739 2.448 303 HA ASP 40 HA ASP 40 9.684 20.758 4.718 304 HB2 ASP 40 HB2 ASP 40 10.381 18.910 2.976 305 HB3 ASP 40 HB1 ASP 40 11.026 20.293 2.097 306 H TYR 41 H TYR 41 11.657 22.229 3.977 307 HA TYR 41 HA TYR 41 10.219 24.705 3.450 308 HB2 TYR 41 HB2 TYR 41 12.025 25.808 4.737 309 HB3 TYR 41 HB1 TYR 41 11.128 24.494 5.515 310 HD1 TYR 41 HD1 TYR 41 14.389 25.105 3.809 311 HD2 TYR 41 HD2 TYR 41 12.220 22.819 6.651 312 HE1 TYR 41 HE1 TYR 41 16.466 24.003 4.488 313 HE2 TYR 41 HE2 TYR 41 14.298 21.702 7.352 314 HH TYR 41 HH TYR 41 17.375 22.859 6.408 315 H LYS 42 H LYS 42 13.086 22.974 2.429 316 HA LYS 42 HA LYS 42 13.984 25.186 0.863 317 HB2 LYS 42 HB2 LYS 42 15.923 23.923 0.371 318 HB3 LYS 42 HB1 LYS 42 15.368 23.468 1.983 319 HG2 LYS 42 HG2 LYS 42 14.883 21.805 -0.489 320 HG3 LYS 42 HG1 LYS 42 16.229 21.555 0.615 321 HD2 LYS 42 HD2 LYS 42 14.531 21.282 2.435 322 HD3 LYS 42 HD1 LYS 42 13.292 21.287 1.183 323 HE2 LYS 42 HE2 LYS 42 13.836 19.021 1.765 324 HE3 LYS 42 HE1 LYS 42 14.417 19.346 0.126 325 HZ1 LYS 42 HZ1 LYS 42 16.635 19.654 1.025 326 HZ2 LYS 42 HZ2 LYS 42 16.065 18.143 1.507 327 HZ3 LYS 42 HZ3 LYS 42 16.071 19.425 2.582 328 H LEU 43 H LEU 43 11.487 23.361 0.432 329 HA LEU 43 HA LEU 43 11.580 22.745 -2.350 330 HB2 LEU 43 HB2 LEU 43 9.252 23.051 -0.469 331 HB3 LEU 43 HB1 LEU 43 9.152 22.385 -2.086 332 HG LEU 43 HG LEU 43 10.822 21.180 0.104 333 HD11 LEU 43 HD11 LEU 43 9.018 19.521 0.284 334 HD12 LEU 43 HD12 LEU 43 8.012 20.526 -0.778 335 HD13 LEU 43 HD13 LEU 43 8.560 21.138 0.793 336 HD21 LEU 43 HD21 LEU 43 10.804 19.215 -1.364 337 HD22 LEU 43 HD22 LEU 43 11.525 20.613 -2.165 338 HD23 LEU 43 HD23 LEU 43 9.884 20.123 -2.567 339 H ARG 44 H ARG 44 11.329 25.492 -0.637 340 HA ARG 44 HA ARG 44 9.580 27.179 -1.951 341 HB2 ARG 44 HB2 ARG 44 11.084 29.022 -1.189 342 HB3 ARG 44 HB1 ARG 44 10.596 27.891 0.064 343 HG2 ARG 44 HG2 ARG 44 12.743 26.741 -0.155 344 HG3 ARG 44 HG1 ARG 44 13.243 27.912 -1.365 345 HD2 ARG 44 HD2 ARG 44 12.427 28.604 1.443 346 HD3 ARG 44 HD1 ARG 44 14.105 28.431 0.919 347 HE ARG 44 HE ARG 44 12.752 30.289 -0.725 348 HH11 ARG 44 HH11 ARG 44 13.987 30.047 2.570 349 HH12 ARG 44 HH12 ARG 44 14.330 31.712 2.700 350 HH21 ARG 44 HH21 ARG 44 13.248 32.505 -0.563 351 HH22 ARG 44 HH22 ARG 44 13.914 33.147 0.877 352 H MET 45 H MET 45 12.701 26.060 -3.010 353 HA MET 45 HA MET 45 12.433 27.691 -5.457 354 HB2 MET 45 HB2 MET 45 14.944 26.660 -4.138 355 HB3 MET 45 HB1 MET 45 14.893 27.482 -5.686 356 HG2 MET 45 HG2 MET 45 14.039 29.490 -4.557 357 HG3 MET 45 HG1 MET 45 14.166 28.653 -3.015 358 HE1 MET 45 HE1 MET 45 18.068 28.047 -2.784 359 HE2 MET 45 HE2 MET 45 16.914 26.952 -3.534 360 HE3 MET 45 HE3 MET 45 16.506 27.758 -2.016 361 H ALA 46 H ALA 46 11.429 24.936 -4.666 362 HA ALA 46 HA ALA 46 12.655 23.538 -6.904 363 HB1 ALA 46 HB1 ALA 46 12.128 22.249 -4.242 364 HB2 ALA 46 HB2 ALA 46 13.720 22.718 -4.846 365 HB3 ALA 46 HB3 ALA 46 12.786 21.473 -5.683 366 H VAL 47 H VAL 47 10.911 23.809 -8.185 367 HA VAL 47 HA VAL 47 8.284 22.964 -7.281 368 HB VAL 47 HB VAL 47 9.186 23.650 -10.114 369 HG11 VAL 47 HG11 VAL 47 6.424 23.639 -8.938 370 HG12 VAL 47 HG12 VAL 47 7.097 22.423 -10.021 371 HG13 VAL 47 HG13 VAL 47 6.860 24.076 -10.591 372 HG21 VAL 47 HG21 VAL 47 7.984 25.487 -8.045 373 HG22 VAL 47 HG22 VAL 47 8.318 25.911 -9.726 374 HG23 VAL 47 HG23 VAL 47 9.645 25.522 -8.626 375 H GLU 48 H GLU 48 10.427 22.130 -9.921 376 HA GLU 48 HA GLU 48 10.275 19.304 -9.300 377 HB2 GLU 48 HB2 GLU 48 9.615 20.569 -11.961 378 HB3 GLU 48 HB1 GLU 48 10.286 18.948 -11.880 379 HG2 GLU 48 HG2 GLU 48 7.767 19.779 -10.465 380 HG3 GLU 48 HG1 GLU 48 7.800 19.060 -12.077 381 H ASN 49 H ASN 49 12.294 19.485 -8.482 382 HA ASN 49 HA ASN 49 14.416 20.302 -10.357 383 HB2 ASN 49 HB2 ASN 49 14.362 20.721 -7.351 384 HB3 ASN 49 HB1 ASN 49 15.784 20.959 -8.346 385 HD21 ASN 49 HD21 ASN 49 16.025 23.091 -7.948 386 HD22 ASN 49 HD22 ASN 49 14.894 24.302 -8.415 387 HA PRO 50 HA PRO 50 16.085 16.280 -9.925 388 HB2 PRO 50 HB2 PRO 50 18.772 16.769 -9.887 389 HB3 PRO 50 HB1 PRO 50 17.792 16.842 -11.354 390 HG2 PRO 50 HG2 PRO 50 18.633 19.086 -9.544 391 HG3 PRO 50 HG1 PRO 50 18.717 18.999 -11.318 392 HD2 PRO 50 HD2 PRO 50 16.747 20.317 -10.145 393 HD3 PRO 50 HD1 PRO 50 16.413 19.280 -11.551 394 H LYS 51 H LYS 51 17.023 18.709 -7.621 395 HA LYS 51 HA LYS 51 18.355 17.063 -5.766 396 HB2 LYS 51 HB2 LYS 51 16.797 19.582 -5.290 397 HB3 LYS 51 HB1 LYS 51 17.764 18.728 -4.089 398 HG2 LYS 51 HG2 LYS 51 19.765 19.102 -5.347 399 HG3 LYS 51 HG1 LYS 51 18.845 19.837 -6.662 400 HD2 LYS 51 HD2 LYS 51 19.898 21.513 -5.282 401 HD3 LYS 51 HD1 LYS 51 18.134 21.615 -5.187 402 HE2 LYS 51 HE2 LYS 51 18.205 20.423 -3.026 403 HE3 LYS 51 HE1 LYS 51 19.964 20.345 -3.129 404 HZ1 LYS 51 HZ1 LYS 51 20.019 22.769 -3.049 405 HZ2 LYS 51 HZ2 LYS 51 19.248 22.145 -1.713 406 HZ3 LYS 51 HZ3 LYS 51 18.333 22.821 -2.949 407 H GLN 52 H GLN 52 14.991 17.402 -6.503 408 HA GLN 52 HA GLN 52 14.027 16.591 -3.972 409 HB2 GLN 52 HB2 GLN 52 12.704 16.467 -6.668 410 HB3 GLN 52 HB1 GLN 52 11.904 16.082 -5.156 411 HG2 GLN 52 HG2 GLN 52 12.347 18.398 -4.400 412 HG3 GLN 52 HG1 GLN 52 13.004 18.747 -6.003 413 HE21 GLN 52 HE21 GLN 52 11.397 20.247 -6.448 414 HE22 GLN 52 HE22 GLN 52 9.778 19.754 -6.809 415 H GLN 53 H GLN 53 15.238 14.853 -6.745 416 HA GLN 53 HA GLN 53 14.006 12.435 -5.817 417 HB2 GLN 53 HB2 GLN 53 15.175 11.257 -7.660 418 HB3 GLN 53 HB1 GLN 53 14.205 12.599 -8.221 419 HG2 GLN 53 HG2 GLN 53 16.164 13.925 -8.555 420 HG3 GLN 53 HG1 GLN 53 17.170 12.688 -7.808 421 HE21 GLN 53 HE21 GLN 53 15.309 13.548 -10.618 422 HE22 GLN 53 HE22 GLN 53 15.970 12.341 -11.654 423 H GLN 54 H GLN 54 16.218 13.995 -4.335 424 HA GLN 54 HA GLN 54 18.368 12.232 -3.959 425 HB2 GLN 54 HB2 GLN 54 18.787 13.458 -1.873 426 HB3 GLN 54 HB1 GLN 54 18.325 14.589 -3.133 427 HG2 GLN 54 HG2 GLN 54 16.069 14.718 -2.215 428 HG3 GLN 54 HG1 GLN 54 16.484 13.562 -0.979 429 HE21 GLN 54 HE21 GLN 54 16.142 14.942 0.717 430 HE22 GLN 54 HE22 GLN 54 17.176 16.268 1.080 431 H HIS 55 H HIS 55 15.272 12.542 -2.260 432 HA HIS 55 HA HIS 55 15.747 10.287 -0.624 433 HB2 HIS 55 HB2 HIS 55 13.259 10.510 -0.036 434 HB3 HIS 55 HB1 HIS 55 14.295 11.852 0.385 435 HD1 HIS 55 HD1 HIS 55 12.743 13.869 0.222 436 HD2 HIS 55 HD2 HIS 55 12.429 11.307 -3.016 437 HE1 HIS 55 HE1 HIS 55 11.048 14.908 -1.300 438 H LEU 56 H LEU 56 14.689 10.711 -3.740 439 HA LEU 56 HA LEU 56 13.304 8.205 -4.016 440 HB2 LEU 56 HB2 LEU 56 12.743 10.031 -5.549 441 HB3 LEU 56 HB1 LEU 56 14.403 10.152 -6.061 442 HG LEU 56 HG LEU 56 12.761 9.141 -7.716 443 HD11 LEU 56 HD11 LEU 56 14.267 7.415 -8.549 444 HD12 LEU 56 HD12 LEU 56 15.146 7.444 -7.023 445 HD13 LEU 56 HD13 LEU 56 15.143 8.867 -8.063 446 HD21 LEU 56 HD21 LEU 56 12.926 6.788 -5.856 447 HD22 LEU 56 HD22 LEU 56 12.201 6.780 -7.464 448 HD23 LEU 56 HD23 LEU 56 11.501 7.773 -6.182 449 H SER 57 H SER 57 16.558 9.425 -4.755 450 HA SER 57 HA SER 57 17.624 7.091 -5.754 451 HB2 SER 57 HB2 SER 57 18.981 9.176 -4.020 452 HB3 SER 57 HB1 SER 57 19.800 8.028 -5.083 453 HG SER 57 HG SER 57 18.697 8.963 -6.820 454 H LEU 58 H LEU 58 17.045 8.047 -2.451 455 HA LEU 58 HA LEU 58 18.360 5.759 -1.308 456 HB2 LEU 58 HB2 LEU 58 16.308 7.556 -0.021 457 HB3 LEU 58 HB1 LEU 58 17.497 6.562 0.782 458 HG LEU 58 HG LEU 58 18.146 8.916 -0.977 459 HD11 LEU 58 HD11 LEU 58 17.080 9.606 1.108 460 HD12 LEU 58 HD12 LEU 58 18.785 10.054 1.093 461 HD13 LEU 58 HD13 LEU 58 18.246 8.657 2.025 462 HD21 LEU 58 HD21 LEU 58 19.929 7.201 0.758 463 HD22 LEU 58 HD22 LEU 58 20.429 8.674 -0.071 464 HD23 LEU 58 HD23 LEU 58 19.925 7.267 -1.006 465 H CYS 59 H CYS 59 14.986 6.705 -1.713 466 HA CYS 59 HA CYS 59 13.747 4.431 -0.591 467 HB2 CYS 59 HB2 CYS 59 12.851 6.743 -1.012 468 HB3 CYS 59 HB1 CYS 59 12.692 6.299 -2.704 469 H CYS 60 H CYS 60 14.322 5.277 -4.052 470 HA CYS 60 HA CYS 60 13.293 2.959 -5.212 471 HB2 CYS 60 HB2 CYS 60 13.710 4.851 -6.609 472 HB3 CYS 60 HB1 CYS 60 15.386 4.945 -6.111 473 H ASN 61 H ASN 61 16.443 3.646 -3.844 474 HA ASN 61 HA ASN 61 17.618 1.217 -4.840 475 HB2 ASN 61 HB2 ASN 61 18.905 3.177 -4.394 476 HB3 ASN 61 HB1 ASN 61 18.586 3.076 -2.667 477 HD21 ASN 61 HD21 ASN 61 20.415 1.808 -5.321 478 HD22 ASN 61 HD22 ASN 61 21.458 0.784 -4.416 479 H GLN 62 H GLN 62 15.837 2.135 -2.076 480 HA GLN 62 HA GLN 62 16.594 -0.186 -0.598 481 HB2 GLN 62 HB2 GLN 62 16.133 1.939 0.540 482 HB3 GLN 62 HB1 GLN 62 14.498 1.913 -0.081 483 HG2 GLN 62 HG2 GLN 62 14.507 1.257 2.222 484 HG3 GLN 62 HG1 GLN 62 14.033 -0.080 1.165 485 HE21 GLN 62 HE21 GLN 62 17.357 0.883 1.561 486 HE22 GLN 62 HE22 GLN 62 17.850 -0.520 2.429 487 H LEU 63 H LEU 63 13.758 0.883 -2.383 488 HA LEU 63 HA LEU 63 12.172 -1.374 -1.760 489 HB2 LEU 63 HB2 LEU 63 10.629 -0.516 -3.405 490 HB3 LEU 63 HB1 LEU 63 11.338 0.838 -2.555 491 HG LEU 63 HG LEU 63 12.955 0.956 -4.557 492 HD11 LEU 63 HD11 LEU 63 11.993 0.323 -6.656 493 HD12 LEU 63 HD12 LEU 63 10.626 -0.428 -5.818 494 HD13 LEU 63 HD13 LEU 63 12.248 -1.088 -5.620 495 HD21 LEU 63 HD21 LEU 63 11.465 2.694 -3.980 496 HD22 LEU 63 HD22 LEU 63 10.095 1.806 -4.665 497 HD23 LEU 63 HD23 LEU 63 11.393 2.404 -5.724 498 H GLN 64 H GLN 64 14.596 -0.754 -4.126 499 HA GLN 64 HA GLN 64 13.914 -2.907 -5.879 500 HB2 GLN 64 HB2 GLN 64 15.889 -2.325 -7.125 501 HB3 GLN 64 HB1 GLN 64 15.134 -0.842 -6.529 502 HG2 GLN 64 HG2 GLN 64 16.657 -0.625 -4.814 503 HG3 GLN 64 HG1 GLN 64 17.425 -2.177 -5.175 504 HE21 GLN 64 HE21 GLN 64 19.421 -1.197 -5.499 505 HE22 GLN 64 HE22 GLN 64 19.798 -0.256 -6.887 506 H GLU 65 H GLU 65 15.295 -2.856 -2.876 507 HA GLU 65 HA GLU 65 16.991 -5.116 -3.262 508 HB2 GLU 65 HB2 GLU 65 16.059 -3.682 -0.771 509 HB3 GLU 65 HB1 GLU 65 17.150 -5.058 -0.736 510 HG2 GLU 65 HG2 GLU 65 17.708 -2.478 -2.182 511 HG3 GLU 65 HG1 GLU 65 18.284 -2.862 -0.563 512 H VAL 66 H VAL 66 13.780 -4.487 -2.883 513 HA VAL 66 HA VAL 66 12.932 -7.017 -1.663 514 HB VAL 66 HB VAL 66 11.171 -4.916 -2.965 515 HG11 VAL 66 HG11 VAL 66 10.566 -6.862 -0.746 516 HG12 VAL 66 HG12 VAL 66 10.083 -7.031 -2.429 517 HG13 VAL 66 HG13 VAL 66 9.439 -5.702 -1.458 518 HG21 VAL 66 HG21 VAL 66 10.904 -3.877 -0.764 519 HG22 VAL 66 HG22 VAL 66 12.541 -3.757 -1.388 520 HG23 VAL 66 HG23 VAL 66 12.166 -4.937 -0.123 521 H GLU 67 H GLU 67 11.396 -8.434 -2.882 522 HA GLU 67 HA GLU 67 12.077 -9.443 -5.356 523 HB2 GLU 67 HB2 GLU 67 9.427 -9.232 -3.996 524 HB3 GLU 67 HB1 GLU 67 9.553 -10.009 -5.567 525 HG2 GLU 67 HG2 GLU 67 11.013 -11.651 -4.655 526 HG3 GLU 67 HG1 GLU 67 11.033 -10.838 -3.086 527 H LYS 68 H LYS 68 11.485 -9.069 -7.488 528 HA LYS 68 HA LYS 68 11.182 -6.386 -8.164 529 HB2 LYS 68 HB2 LYS 68 10.970 -7.120 -10.514 530 HB3 LYS 68 HB1 LYS 68 12.379 -7.714 -9.672 531 HG2 LYS 68 HG2 LYS 68 11.261 -9.857 -9.375 532 HG3 LYS 68 HG1 LYS 68 9.895 -9.253 -10.310 533 HD2 LYS 68 HD2 LYS 68 11.213 -10.455 -11.859 534 HD3 LYS 68 HD1 LYS 68 11.581 -8.748 -12.117 535 HE2 LYS 68 HE2 LYS 68 13.270 -10.524 -10.387 536 HE3 LYS 68 HE1 LYS 68 13.573 -10.347 -12.119 537 HZ1 LYS 68 HZ1 LYS 68 15.020 -8.874 -11.004 538 HZ2 LYS 68 HZ2 LYS 68 13.881 -8.381 -9.930 539 HZ3 LYS 68 HZ3 LYS 68 13.793 -7.841 -11.520 540 H GLN 69 H GLN 69 8.773 -8.864 -7.954 541 HA GLN 69 HA GLN 69 6.688 -7.295 -9.175 542 HB2 GLN 69 HB2 GLN 69 5.142 -8.983 -8.273 543 HB3 GLN 69 HB1 GLN 69 6.505 -9.745 -9.078 544 HG2 GLN 69 HG2 GLN 69 7.536 -10.233 -6.933 545 HG3 GLN 69 HG1 GLN 69 6.265 -9.355 -6.106 546 HE21 GLN 69 HE21 GLN 69 7.126 -12.099 -5.807 547 HE22 GLN 69 HE22 GLN 69 5.736 -13.065 -6.121 548 H CYS 70 H CYS 70 8.122 -7.462 -6.098 549 HA CYS 70 HA CYS 70 5.865 -6.296 -4.729 550 HB2 CYS 70 HB2 CYS 70 8.491 -7.300 -3.685 551 HB3 CYS 70 HB1 CYS 70 7.129 -6.788 -2.686 552 H GLN 71 H GLN 71 8.795 -5.383 -6.194 553 HA GLN 71 HA GLN 71 9.610 -3.084 -4.813 554 HB2 GLN 71 HB2 GLN 71 9.526 -3.727 -7.737 555 HB3 GLN 71 HB1 GLN 71 10.246 -2.249 -7.106 556 HG2 GLN 71 HG2 GLN 71 11.828 -3.575 -5.848 557 HG3 GLN 71 HG1 GLN 71 11.120 -5.064 -6.485 558 HE21 GLN 71 HE21 GLN 71 12.959 -2.246 -7.226 559 HE22 GLN 71 HE22 GLN 71 13.560 -2.765 -8.751 560 H CYS 72 H CYS 72 7.099 -3.470 -7.268 561 HA CYS 72 HA CYS 72 6.416 -0.722 -6.989 562 HB2 CYS 72 HB2 CYS 72 4.534 -1.271 -8.562 563 HB3 CYS 72 HB1 CYS 72 6.184 -1.535 -9.113 564 H GLU 73 H GLU 73 5.470 -3.645 -5.590 565 HA GLU 73 HA GLU 73 3.019 -2.761 -4.635 566 HB2 GLU 73 HB2 GLU 73 4.865 -4.903 -3.629 567 HB3 GLU 73 HB1 GLU 73 3.320 -4.601 -2.861 568 HG2 GLU 73 HG2 GLU 73 3.774 -5.397 -5.709 569 HG3 GLU 73 HG1 GLU 73 3.151 -6.423 -4.429 570 H ALA 74 H ALA 74 6.302 -2.466 -3.532 571 HA ALA 74 HA ALA 74 5.961 -1.532 -0.932 572 HB1 ALA 74 HB1 ALA 74 8.078 -2.274 -1.931 573 HB2 ALA 74 HB2 ALA 74 8.220 -0.695 -1.160 574 HB3 ALA 74 HB3 ALA 74 8.116 -0.816 -2.922 575 H ILE 75 H ILE 75 5.476 -0.077 -3.997 576 HA ILE 75 HA ILE 75 5.711 2.651 -3.240 577 HB ILE 75 HB ILE 75 4.235 1.394 -5.549 578 HG12 ILE 75 HG12 ILE 75 6.478 0.643 -5.633 579 HG13 ILE 75 HG11 ILE 75 6.322 1.899 -6.859 580 HG21 ILE 75 HG21 ILE 75 3.595 3.690 -5.103 581 HG22 ILE 75 HG22 ILE 75 4.386 3.491 -6.651 582 HG23 ILE 75 HG23 ILE 75 5.278 4.192 -5.292 583 HD11 ILE 75 HD11 ILE 75 8.403 2.104 -5.759 584 HD12 ILE 75 HD12 ILE 75 7.646 2.013 -4.179 585 HD13 ILE 75 HD13 ILE 75 7.398 3.449 -5.191 586 H LYS 76 H LYS 76 3.273 0.195 -3.153 587 HA LYS 76 HA LYS 76 1.012 1.984 -3.145 588 HB2 LYS 76 HB2 LYS 76 1.270 -0.924 -2.343 589 HB3 LYS 76 HB1 LYS 76 -0.243 -0.069 -2.583 590 HG2 LYS 76 HG2 LYS 76 1.830 -0.588 -4.713 591 HG3 LYS 76 HG1 LYS 76 0.355 -1.525 -4.488 592 HD2 LYS 76 HD2 LYS 76 0.473 1.428 -5.113 593 HD3 LYS 76 HD1 LYS 76 0.156 0.159 -6.292 594 HE2 LYS 76 HE2 LYS 76 -1.857 -0.510 -5.076 595 HE3 LYS 76 HE1 LYS 76 -1.554 0.714 -3.850 596 HZ1 LYS 76 HZ1 LYS 76 -1.891 2.419 -5.533 597 HZ2 LYS 76 HZ2 LYS 76 -3.228 1.404 -5.436 598 HZ3 LYS 76 HZ3 LYS 76 -2.152 1.243 -6.710 599 H GLN 77 H GLN 77 2.945 0.176 -1.093 600 HA GLN 77 HA GLN 77 1.808 0.428 1.423 601 HB2 GLN 77 HB2 GLN 77 4.668 0.297 0.606 602 HB3 GLN 77 HB1 GLN 77 4.050 -0.007 2.215 603 HG2 GLN 77 HG2 GLN 77 2.861 -1.456 -0.013 604 HG3 GLN 77 HG1 GLN 77 4.413 -2.039 0.500 605 HE21 GLN 77 HE21 GLN 77 1.924 -3.456 0.690 606 HE22 GLN 77 HE22 GLN 77 1.531 -3.628 2.367 607 H VAL 78 H VAL 78 4.160 2.470 -0.303 608 HA VAL 78 HA VAL 78 4.726 4.166 1.802 609 HB VAL 78 HB VAL 78 4.534 5.177 -1.049 610 HG11 VAL 78 HG11 VAL 78 6.255 6.083 1.209 611 HG12 VAL 78 HG12 VAL 78 4.754 6.836 0.699 612 HG13 VAL 78 HG13 VAL 78 6.139 6.810 -0.404 613 HG21 VAL 78 HG21 VAL 78 6.870 4.593 -1.345 614 HG22 VAL 78 HG22 VAL 78 5.926 3.141 -0.992 615 HG23 VAL 78 HG23 VAL 78 6.910 3.886 0.266 616 H VAL 79 H VAL 79 2.213 4.271 -0.674 617 HA VAL 79 HA VAL 79 1.223 6.852 0.044 618 HB VAL 79 HB VAL 79 -0.313 4.680 -1.377 619 HG11 VAL 79 HG11 VAL 79 -1.618 6.595 -0.707 620 HG12 VAL 79 HG12 VAL 79 -1.470 6.538 -2.467 621 HG13 VAL 79 HG13 VAL 79 -0.499 7.679 -1.531 622 HG21 VAL 79 HG21 VAL 79 1.814 4.862 -2.492 623 HG22 VAL 79 HG22 VAL 79 1.662 6.620 -2.583 624 HG23 VAL 79 HG23 VAL 79 0.563 5.586 -3.504 625 H GLU 80 H GLU 80 0.401 3.559 0.697 626 HA GLU 80 HA GLU 80 -1.998 3.882 2.044 627 HB2 GLU 80 HB2 GLU 80 -1.171 1.766 1.144 628 HB3 GLU 80 HB1 GLU 80 0.100 1.750 2.348 629 HG2 GLU 80 HG2 GLU 80 -1.447 1.437 4.107 630 HG3 GLU 80 HG1 GLU 80 -2.807 1.754 3.029 631 H GLN 81 H GLN 81 1.298 3.670 3.349 632 HA GLN 81 HA GLN 81 0.387 4.068 6.047 633 HB2 GLN 81 HB2 GLN 81 2.776 4.084 6.643 634 HB3 GLN 81 HB1 GLN 81 2.370 2.711 5.631 635 HG2 GLN 81 HG2 GLN 81 3.238 4.072 3.684 636 HG3 GLN 81 HG1 GLN 81 3.890 5.180 4.888 637 HE21 GLN 81 HE21 GLN 81 4.033 2.041 3.559 638 HE22 GLN 81 HE22 GLN 81 5.577 1.577 4.203 639 H ALA 82 H ALA 82 1.689 6.141 3.542 640 HA ALA 82 HA ALA 82 2.170 8.351 5.240 641 HB1 ALA 82 HB1 ALA 82 3.271 8.095 3.070 642 HB2 ALA 82 HB2 ALA 82 2.394 9.627 3.160 643 HB3 ALA 82 HB3 ALA 82 1.717 8.273 2.261 644 H GLN 83 H GLN 83 -0.626 7.314 3.389 645 HA GLN 83 HA GLN 83 -1.927 9.803 3.964 646 HB2 GLN 83 HB2 GLN 83 -3.918 8.929 2.905 647 HB3 GLN 83 HB1 GLN 83 -2.516 8.607 1.903 648 HG2 GLN 83 HG2 GLN 83 -2.517 6.293 2.589 649 HG3 GLN 83 HG1 GLN 83 -3.841 6.601 3.711 650 HE21 GLN 83 HE21 GLN 83 -3.727 4.788 1.455 651 HE22 GLN 83 HE22 GLN 83 -5.019 5.253 0.421 652 H LYS 84 H LYS 84 -1.866 6.607 5.364 653 HA LYS 84 HA LYS 84 -4.139 7.056 7.003 654 HB2 LYS 84 HB2 LYS 84 -3.554 4.995 8.178 655 HB3 LYS 84 HB1 LYS 84 -3.450 4.784 6.448 656 HG2 LYS 84 HG2 LYS 84 -1.536 3.651 7.150 657 HG3 LYS 84 HG1 LYS 84 -0.931 5.287 6.843 658 HD2 LYS 84 HD2 LYS 84 -0.979 5.853 9.057 659 HD3 LYS 84 HD1 LYS 84 -1.737 4.317 9.557 660 HE2 LYS 84 HE2 LYS 84 0.303 3.173 8.636 661 HE3 LYS 84 HE1 LYS 84 1.015 4.764 8.378 662 HZ1 LYS 84 HZ1 LYS 84 0.779 5.139 10.814 663 HZ2 LYS 84 HZ2 LYS 84 1.810 3.888 10.402 664 HZ3 LYS 84 HZ3 LYS 84 0.275 3.531 10.972 665 H GLN 85 H GLN 85 -0.772 7.770 7.335 666 HA GLN 85 HA GLN 85 -0.920 8.224 10.123 667 HB2 GLN 85 HB2 GLN 85 1.347 9.042 9.982 668 HB3 GLN 85 HB1 GLN 85 1.135 7.761 8.770 669 HG2 GLN 85 HG2 GLN 85 1.322 9.165 7.018 670 HG3 GLN 85 HG1 GLN 85 0.797 10.570 7.942 671 HE21 GLN 85 HE21 GLN 85 2.255 11.604 9.276 672 HE22 GLN 85 HE22 GLN 85 3.956 11.433 9.062 673 H LEU 86 H LEU 86 -1.331 10.212 7.286 674 HA LEU 86 HA LEU 86 -1.673 12.585 8.815 675 HB2 LEU 86 HB2 LEU 86 -1.485 11.901 5.987 676 HB3 LEU 86 HB1 LEU 86 -2.649 13.170 6.263 677 HG LEU 86 HG LEU 86 -0.477 14.066 5.710 678 HD11 LEU 86 HD11 LEU 86 -0.296 15.652 7.536 679 HD12 LEU 86 HD12 LEU 86 -1.233 14.567 8.576 680 HD13 LEU 86 HD13 LEU 86 -1.990 15.297 7.166 681 HD21 LEU 86 HD21 LEU 86 1.396 13.878 7.293 682 HD22 LEU 86 HD22 LEU 86 0.957 12.318 6.597 683 HD23 LEU 86 HD23 LEU 86 0.467 12.715 8.239 684 H GLN 87 H GLN 87 -3.780 10.229 7.343 685 HA GLN 87 HA GLN 87 -6.228 11.497 7.622 686 HB2 GLN 87 HB2 GLN 87 -6.055 9.448 6.378 687 HB3 GLN 87 HB1 GLN 87 -5.496 8.576 7.795 688 HG2 GLN 87 HG2 GLN 87 -7.812 8.032 7.253 689 HG3 GLN 87 HG1 GLN 87 -7.667 8.790 8.834 690 HE21 GLN 87 HE21 GLN 87 -7.572 10.520 5.781 691 HE22 GLN 87 HE22 GLN 87 -9.067 11.347 6.008 692 H GLN 88 H GLN 88 -4.429 9.587 9.991 693 HA GLN 88 HA GLN 88 -6.544 9.908 11.937 694 HB2 GLN 88 HB2 GLN 88 -5.165 8.619 13.462 695 HB3 GLN 88 HB1 GLN 88 -5.189 7.828 11.898 696 HG2 GLN 88 HG2 GLN 88 -2.971 8.760 11.412 697 HG3 GLN 88 HG1 GLN 88 -2.958 9.519 13.001 698 HE21 GLN 88 HE21 GLN 88 -1.114 7.565 11.923 699 HE22 GLN 88 HE22 GLN 88 -1.171 6.225 12.993 700 H GLY 89 H GLY 89 -3.965 11.699 10.867 701 HA2 GLY 89 HA2 GLY 89 -3.398 13.035 13.361 702 HA3 GLY 89 HA1 GLY 89 -2.689 13.394 11.793 703 H GLN 90 H GLN 90 -3.842 14.724 10.341 704 HA GLN 90 HA GLN 90 -5.907 16.388 11.670 705 HB2 GLN 90 HB2 GLN 90 -3.636 17.365 9.930 706 HB3 GLN 90 HB1 GLN 90 -4.905 18.368 10.619 707 HG2 GLN 90 HG2 GLN 90 -4.132 17.871 12.853 708 HG3 GLN 90 HG1 GLN 90 -2.941 16.750 12.201 709 HE21 GLN 90 HE21 GLN 90 -3.589 19.843 10.660 710 HE22 GLN 90 HE22 GLN 90 -2.100 20.569 11.110 711 H GLY 91 H GLY 91 -5.001 14.645 8.914 712 HA2 GLY 91 HA2 GLY 91 -6.808 14.354 7.206 713 HA3 GLY 91 HA1 GLY 91 -6.842 16.129 7.167 714 H GLY 92 H GLY 92 -5.467 17.143 5.766 715 HA2 GLY 92 HA2 GLY 92 -3.516 17.596 4.793 716 HA3 GLY 92 HA1 GLY 92 -2.782 16.228 5.599 717 H GLN 93 H GLN 93 -4.724 14.382 4.387 718 HA GLN 93 HA GLN 93 -3.314 13.377 2.271 719 HB2 GLN 93 HB2 GLN 93 -6.255 13.262 2.764 720 HB3 GLN 93 HB1 GLN 93 -5.431 12.213 1.600 721 HG2 GLN 93 HG2 GLN 93 -4.140 11.293 3.499 722 HG3 GLN 93 HG1 GLN 93 -5.064 12.327 4.589 723 HE21 GLN 93 HE21 GLN 93 -7.529 11.960 2.975 724 HE22 GLN 93 HE22 GLN 93 -8.105 10.401 3.362 725 H GLN 94 H GLN 94 -5.776 15.822 2.152 726 HA GLN 94 HA GLN 94 -6.053 15.992 -0.671 727 HB2 GLN 94 HB2 GLN 94 -7.122 18.187 -0.199 728 HB3 GLN 94 HB1 GLN 94 -7.779 16.876 0.772 729 HG2 GLN 94 HG2 GLN 94 -6.410 17.592 2.666 730 HG3 GLN 94 HG1 GLN 94 -5.733 18.867 1.678 731 HE21 GLN 94 HE21 GLN 94 -8.592 17.767 3.321 732 HE22 GLN 94 HE22 GLN 94 -9.409 19.283 3.318 733 H GLN 95 H GLN 95 -4.027 17.768 1.642 734 HA GLN 95 HA GLN 95 -2.990 19.445 -0.449 735 HB2 GLN 95 HB2 GLN 95 -1.672 20.549 1.340 736 HB3 GLN 95 HB1 GLN 95 -3.410 20.452 1.733 737 HG2 GLN 95 HG2 GLN 95 -3.006 18.719 3.216 738 HG3 GLN 95 HG1 GLN 95 -1.308 18.633 2.774 739 HE21 GLN 95 HE21 GLN 95 -2.986 21.677 3.131 740 HE22 GLN 95 HE22 GLN 95 -2.164 22.173 4.557 741 H VAL 96 H VAL 96 -1.836 17.028 1.727 742 HA VAL 96 HA VAL 96 0.835 16.781 0.909 743 HB VAL 96 HB VAL 96 -0.998 14.678 2.186 744 HG11 VAL 96 HG11 VAL 96 1.960 14.686 1.886 745 HG12 VAL 96 HG12 VAL 96 0.809 13.530 1.195 746 HG13 VAL 96 HG13 VAL 96 1.034 13.621 2.950 747 HG21 VAL 96 HG21 VAL 96 1.028 16.524 3.446 748 HG22 VAL 96 HG22 VAL 96 0.042 15.299 4.267 749 HG23 VAL 96 HG23 VAL 96 -0.727 16.694 3.533 750 H GLN 97 H GLN 97 -2.087 15.763 -0.555 751 HA GLN 97 HA GLN 97 -1.581 13.612 -2.135 752 HB2 GLN 97 HB2 GLN 97 -3.670 14.825 -2.165 753 HB3 GLN 97 HB1 GLN 97 -2.893 16.173 -2.979 754 HG2 GLN 97 HG2 GLN 97 -2.416 14.704 -4.884 755 HG3 GLN 97 HG1 GLN 97 -3.318 13.412 -4.097 756 HE21 GLN 97 HE21 GLN 97 -5.582 13.691 -3.847 757 HE22 GLN 97 HE22 GLN 97 -6.443 14.830 -4.804 758 H GLN 98 H GLN 98 -0.502 16.917 -2.847 759 HA GLN 98 HA GLN 98 0.563 16.242 -5.382 760 HB2 GLN 98 HB2 GLN 98 1.593 18.489 -5.353 761 HB3 GLN 98 HB1 GLN 98 -0.129 18.482 -5.008 762 HG2 GLN 98 HG2 GLN 98 0.386 18.697 -2.607 763 HG3 GLN 98 HG1 GLN 98 2.097 18.790 -3.010 764 HE21 GLN 98 HE21 GLN 98 -0.436 20.229 -4.948 765 HE22 GLN 98 HE22 GLN 98 0.006 21.861 -4.631 766 H MET 99 H MET 99 1.805 15.776 -2.275 767 HA MET 99 HA MET 99 4.577 15.550 -3.272 768 HB2 MET 99 HB2 MET 99 3.664 16.689 -0.962 769 HB3 MET 99 HB1 MET 99 3.793 15.013 -0.520 770 HG2 MET 99 HG2 MET 99 5.764 16.155 0.144 771 HG3 MET 99 HG1 MET 99 6.073 14.865 -1.022 772 HE1 MET 99 HE1 MET 99 8.540 15.805 -1.334 773 HE2 MET 99 HE2 MET 99 8.200 17.097 -0.183 774 HE3 MET 99 HE3 MET 99 8.906 17.479 -1.754 775 H VAL 100 H VAL 100 2.103 13.828 -1.463 776 HA VAL 100 HA VAL 100 3.531 11.391 -1.480 777 HB VAL 100 HB VAL 100 1.698 11.843 0.136 778 HG11 VAL 100 HG11 VAL 100 -0.134 11.357 -2.185 779 HG12 VAL 100 HG12 VAL 100 0.107 12.865 -1.296 780 HG13 VAL 100 HG13 VAL 100 -0.624 11.474 -0.489 781 HG21 VAL 100 HG21 VAL 100 1.353 9.344 -1.484 782 HG22 VAL 100 HG22 VAL 100 0.734 9.583 0.157 783 HG23 VAL 100 HG23 VAL 100 2.479 9.580 -0.147 784 H LYS 101 H LYS 101 1.506 12.837 -3.928 785 HA LYS 101 HA LYS 101 1.088 10.577 -5.520 786 HB2 LYS 101 HB2 LYS 101 0.877 12.054 -7.410 787 HB3 LYS 101 HB1 LYS 101 0.098 12.785 -6.007 788 HG2 LYS 101 HG2 LYS 101 1.633 14.438 -5.845 789 HG3 LYS 101 HG1 LYS 101 2.918 13.458 -6.542 790 HD2 LYS 101 HD2 LYS 101 2.333 15.177 -8.108 791 HD3 LYS 101 HD1 LYS 101 1.849 13.581 -8.685 792 HE2 LYS 101 HE2 LYS 101 -0.465 14.013 -8.034 793 HE3 LYS 101 HE1 LYS 101 -0.004 15.584 -7.379 794 HZ1 LYS 101 HZ1 LYS 101 0.696 16.211 -9.646 795 HZ2 LYS 101 HZ2 LYS 101 -0.936 15.905 -9.529 796 HZ3 LYS 101 HZ3 LYS 101 0.062 14.762 -10.236 797 H LYS 102 H LYS 102 4.035 12.371 -4.872 798 HA LYS 102 HA LYS 102 5.459 11.700 -7.169 799 HB2 LYS 102 HB2 LYS 102 6.381 12.254 -4.358 800 HB3 LYS 102 HB1 LYS 102 7.422 12.209 -5.776 801 HG2 LYS 102 HG2 LYS 102 6.431 14.161 -6.692 802 HG3 LYS 102 HG1 LYS 102 5.075 14.073 -5.572 803 HD2 LYS 102 HD2 LYS 102 6.654 15.830 -4.933 804 HD3 LYS 102 HD1 LYS 102 6.538 14.572 -3.712 805 HE2 LYS 102 HE2 LYS 102 8.785 15.186 -3.968 806 HE3 LYS 102 HE1 LYS 102 8.593 13.560 -4.582 807 HZ1 LYS 102 HZ1 LYS 102 8.466 14.547 -6.867 808 HZ2 LYS 102 HZ2 LYS 102 9.948 14.753 -6.124 809 HZ3 LYS 102 HZ3 LYS 102 8.889 16.047 -6.211 810 H ALA 103 H ALA 103 4.730 10.056 -4.203 811 HA ALA 103 HA ALA 103 6.534 7.898 -4.333 812 HB1 ALA 103 HB1 ALA 103 4.943 6.650 -2.948 813 HB2 ALA 103 HB2 ALA 103 3.697 7.850 -3.296 814 HB3 ALA 103 HB3 ALA 103 5.121 8.306 -2.364 815 H GLN 104 H GLN 104 3.467 8.482 -5.883 816 HA GLN 104 HA GLN 104 3.115 5.832 -6.995 817 HB2 GLN 104 HB2 GLN 104 1.796 8.445 -7.734 818 HB3 GLN 104 HB1 GLN 104 1.232 6.831 -8.141 819 HG2 GLN 104 HG2 GLN 104 1.022 6.388 -5.682 820 HG3 GLN 104 HG1 GLN 104 1.363 8.091 -5.412 821 HE21 GLN 104 HE21 GLN 104 -0.190 9.621 -6.065 822 HE22 GLN 104 HE22 GLN 104 -1.824 9.195 -6.326 823 H MET 105 H MET 105 4.924 8.620 -7.882 824 HA MET 105 HA MET 105 5.124 7.876 -10.667 825 HB2 MET 105 HB2 MET 105 6.998 9.606 -9.145 826 HB3 MET 105 HB1 MET 105 6.742 9.596 -10.870 827 HG2 MET 105 HG2 MET 105 4.416 10.336 -10.525 828 HG3 MET 105 HG1 MET 105 4.753 10.498 -8.820 829 HE1 MET 105 HE1 MET 105 3.892 13.004 -8.930 830 HE2 MET 105 HE2 MET 105 3.604 12.796 -10.657 831 HE3 MET 105 HE3 MET 105 4.498 14.199 -10.078 832 H LEU 106 H LEU 106 6.647 7.021 -7.748 833 HA LEU 106 HA LEU 106 9.224 6.378 -8.432 834 HB2 LEU 106 HB2 LEU 106 7.389 5.290 -6.387 835 HB3 LEU 106 HB1 LEU 106 8.797 4.340 -6.768 836 HG LEU 106 HG LEU 106 10.282 6.072 -6.054 837 HD11 LEU 106 HD11 LEU 106 7.838 7.790 -5.724 838 HD12 LEU 106 HD12 LEU 106 9.194 8.052 -6.817 839 HD13 LEU 106 HD13 LEU 106 9.428 8.180 -5.074 840 HD21 LEU 106 HD21 LEU 106 9.665 6.264 -3.703 841 HD22 LEU 106 HD22 LEU 106 9.398 4.639 -4.330 842 HD23 LEU 106 HD23 LEU 106 8.031 5.729 -4.094 843 HA PRO 107 HA PRO 107 8.051 1.997 -10.013 844 HB2 PRO 107 HB2 PRO 107 5.629 1.850 -11.304 845 HB3 PRO 107 HB1 PRO 107 5.925 1.246 -9.670 846 HG2 PRO 107 HG2 PRO 107 4.681 3.800 -10.555 847 HG3 PRO 107 HG1 PRO 107 4.260 2.753 -9.188 848 HD2 PRO 107 HD2 PRO 107 5.641 5.049 -8.885 849 HD3 PRO 107 HD1 PRO 107 5.930 3.657 -7.836 850 H ASN 108 H ASN 108 7.164 5.082 -11.532 851 HA ASN 108 HA ASN 108 7.768 3.970 -14.067 852 HB2 ASN 108 HB2 ASN 108 7.017 6.735 -13.149 853 HB3 ASN 108 HB1 ASN 108 7.261 6.253 -14.816 854 HD21 ASN 108 HD21 ASN 108 5.065 6.566 -12.307 855 HD22 ASN 108 HD22 ASN 108 3.694 5.809 -13.016 856 H GLN 109 H GLN 109 9.004 6.191 -11.657 857 HA GLN 109 HA GLN 109 11.272 7.060 -13.168 858 HB2 GLN 109 HB2 GLN 109 10.624 7.333 -10.239 859 HB3 GLN 109 HB1 GLN 109 12.031 8.058 -11.000 860 HG2 GLN 109 HG2 GLN 109 9.160 8.635 -11.706 861 HG3 GLN 109 HG1 GLN 109 10.205 9.661 -10.727 862 HE21 GLN 109 HE21 GLN 109 8.860 10.282 -13.251 863 HE22 GLN 109 HE22 GLN 109 10.110 10.724 -14.339 864 H CYS 110 H CYS 110 10.817 4.591 -10.716 865 HA CYS 110 HA CYS 110 13.671 3.992 -10.618 866 HB2 CYS 110 HB2 CYS 110 12.037 3.983 -8.611 867 HB3 CYS 110 HB1 CYS 110 11.378 2.541 -9.298 868 H ASN 111 H ASN 111 11.166 3.377 -12.618 869 HA ASN 111 HA ASN 111 10.517 1.887 -14.130 870 HB2 ASN 111 HB2 ASN 111 12.769 2.397 -15.072 871 HB3 ASN 111 HB1 ASN 111 13.426 1.035 -14.172 872 HD21 ASN 111 HD21 ASN 111 14.063 -0.096 -15.983 873 HD22 ASN 111 HD22 ASN 111 12.952 -0.804 -17.085 874 H LEU 112 H LEU 112 9.542 1.090 -12.219 875 HA LEU 112 HA LEU 112 10.341 -1.600 -11.425 876 HB2 LEU 112 HB2 LEU 112 7.987 0.013 -10.472 877 HB3 LEU 112 HB1 LEU 112 8.639 -1.440 -9.742 878 HG LEU 112 HG LEU 112 9.980 1.236 -9.884 879 HD11 LEU 112 HD11 LEU 112 8.921 -0.331 -7.546 880 HD12 LEU 112 HD12 LEU 112 8.256 1.170 -8.192 881 HD13 LEU 112 HD13 LEU 112 9.846 1.158 -7.440 882 HD21 LEU 112 HD21 LEU 112 11.790 0.216 -8.592 883 HD22 LEU 112 HD22 LEU 112 11.617 -0.509 -10.179 884 HD23 LEU 112 HD23 LEU 112 11.019 -1.363 -8.757 885 H GLN 113 H GLN 113 8.704 -3.272 -11.407 886 HA GLN 113 HA GLN 113 7.697 -3.653 -14.028 887 HB2 GLN 113 HB2 GLN 113 7.297 -5.320 -11.556 888 HB3 GLN 113 HB1 GLN 113 7.040 -5.847 -13.212 889 HG2 GLN 113 HG2 GLN 113 9.626 -4.903 -12.094 890 HG3 GLN 113 HG1 GLN 113 9.181 -6.609 -12.206 891 HE21 GLN 113 HE21 GLN 113 10.888 -7.129 -13.621 892 HE22 GLN 113 HE22 GLN 113 10.943 -6.576 -15.250 893 H CYS 114 H CYS 114 6.386 -1.507 -12.874 894 HA CYS 114 HA CYS 114 3.622 -2.168 -13.131 895 HB2 CYS 114 HB2 CYS 114 4.998 -1.429 -10.669 896 HB3 CYS 114 HB1 CYS 114 3.297 -0.899 -10.812 897 H SER 115 H SER 115 2.439 -0.093 -13.374 898 HA SER 115 HA SER 115 4.081 2.291 -13.388 899 HB2 SER 115 HB2 SER 115 2.433 1.373 -15.747 900 HB3 SER 115 HB1 SER 115 3.298 2.907 -15.627 901 HG SER 115 HG SER 115 5.078 1.068 -15.091 902 H ILE 116 H ILE 116 3.018 3.763 -12.296 903 HA ILE 116 HA ILE 116 0.119 3.595 -12.116 904 HB ILE 116 HB ILE 116 2.052 5.262 -10.438 905 HG12 ILE 116 HG12 ILE 116 0.537 2.825 -9.545 906 HG13 ILE 116 HG11 ILE 116 2.207 2.704 -10.136 907 HG21 ILE 116 HG21 ILE 116 -0.899 4.670 -10.176 908 HG22 ILE 116 HG22 ILE 116 -0.174 6.238 -10.534 909 HG23 ILE 116 HG23 ILE 116 0.053 5.490 -8.949 910 HD11 ILE 116 HD11 ILE 116 2.809 4.175 -8.255 911 HD12 ILE 116 HD12 ILE 116 2.077 2.646 -7.775 912 HD13 ILE 116 HD13 ILE 116 1.119 4.138 -7.724 Start of MODEL 7 1 H1 GLY 1 H GLY 1 8.931 -15.048 12.294 2 H2 GLY 1 HT1 GLY 1 8.832 -13.790 13.227 3 H3 GLY 1 HT2 GLY 1 8.797 -15.141 12.197 4 HA2 GLY 1 HA1 GLY 1 7.266 -13.472 11.436 5 HA3 GLY 1 HA2 GLY 1 6.423 -14.922 11.964 6 H ARG 2 H ARG 2 4.664 -13.278 12.056 7 HA ARG 2 HA ARG 2 4.678 -11.305 14.148 8 HB2 ARG 2 HB2 ARG 2 2.304 -12.548 12.754 9 HB3 ARG 2 HB1 ARG 2 2.302 -11.069 13.697 10 HG2 ARG 2 HG2 ARG 2 3.729 -11.516 11.096 11 HG3 ARG 2 HG1 ARG 2 2.224 -10.614 11.352 12 HD2 ARG 2 HD2 ARG 2 3.434 -9.020 12.757 13 HD3 ARG 2 HD1 ARG 2 4.923 -9.929 12.498 14 HE ARG 2 HE ARG 2 3.802 -9.192 10.026 15 HH11 ARG 2 HH11 ARG 2 5.489 -7.740 12.791 16 HH12 ARG 2 HH12 ARG 2 6.179 -6.480 11.883 17 HH21 ARG 2 HH21 ARG 2 4.811 -7.426 8.776 18 HH22 ARG 2 HH22 ARG 2 5.823 -6.324 9.576 19 H CYS 3 H CYS 3 3.742 -11.379 16.105 20 HA CYS 3 HA CYS 3 2.855 -14.007 17.047 21 HB2 CYS 3 HB2 CYS 3 4.886 -12.279 18.479 22 HB3 CYS 3 HB1 CYS 3 4.194 -13.773 19.075 23 H THR 4 H THR 4 1.652 -13.907 19.057 24 HA THR 4 HA THR 4 0.088 -11.490 19.313 25 HB THR 4 HB THR 4 -1.183 -12.899 20.946 26 HG1 THR 4 HG1 THR 4 -0.077 -14.498 21.743 27 HG21 THR 4 HG21 THR 4 -0.671 -14.194 18.260 28 HG22 THR 4 HG22 THR 4 -1.850 -12.918 18.579 29 HG23 THR 4 HG23 THR 4 -2.054 -14.518 19.299 30 H LYS 5 H LYS 5 -0.197 -10.516 21.458 31 HA LYS 5 HA LYS 5 2.261 -10.561 22.977 32 HB2 LYS 5 HB2 LYS 5 -0.176 -8.764 23.264 33 HB3 LYS 5 HB1 LYS 5 1.216 -8.696 24.317 34 HG2 LYS 5 HG2 LYS 5 1.432 -6.909 22.772 35 HG3 LYS 5 HG1 LYS 5 2.614 -8.125 22.311 36 HD2 LYS 5 HD2 LYS 5 1.574 -7.260 20.323 37 HD3 LYS 5 HD1 LYS 5 1.026 -8.916 20.563 38 HE2 LYS 5 HE2 LYS 5 -1.082 -8.074 21.526 39 HE3 LYS 5 HE1 LYS 5 -0.517 -6.423 21.303 40 HZ1 LYS 5 HZ1 LYS 5 -0.978 -8.373 19.103 41 HZ2 LYS 5 HZ2 LYS 5 -0.496 -6.776 18.912 42 HZ3 LYS 5 HZ3 LYS 5 -2.019 -7.137 19.534 43 H SER 6 H SER 6 1.821 -12.782 23.538 44 HA SER 6 HA SER 6 0.494 -12.921 26.091 45 HB2 SER 6 HB2 SER 6 -0.509 -15.129 25.380 46 HB3 SER 6 HB1 SER 6 -1.219 -13.733 24.573 47 HG SER 6 HG SER 6 -0.038 -15.855 23.552 48 H ILE 7 H ILE 7 1.343 -14.823 27.265 49 HA ILE 7 HA ILE 7 3.784 -15.929 26.090 50 HB ILE 7 HB ILE 7 3.472 -14.941 28.951 51 HG12 ILE 7 HG12 ILE 7 5.353 -14.068 26.745 52 HG13 ILE 7 HG11 ILE 7 3.942 -13.174 27.290 53 HG21 ILE 7 HG21 ILE 7 5.787 -16.415 27.683 54 HG22 ILE 7 HG22 ILE 7 4.711 -17.037 28.934 55 HG23 ILE 7 HG23 ILE 7 5.790 -15.686 29.289 56 HD11 ILE 7 HD11 ILE 7 6.404 -13.775 28.911 57 HD12 ILE 7 HD12 ILE 7 4.987 -12.884 29.472 58 HD13 ILE 7 HD13 ILE 7 5.981 -12.230 28.169 59 HA PRO 8 HA PRO 8 4.757 -17.680 25.689 60 HB2 PRO 8 HB2 PRO 8 3.568 -19.988 24.325 61 HB3 PRO 8 HB1 PRO 8 5.166 -19.807 25.062 62 HG2 PRO 8 HG2 PRO 8 3.268 -21.390 26.153 63 HG3 PRO 8 HG1 PRO 8 4.440 -20.499 27.139 64 HD2 PRO 8 HD2 PRO 8 1.591 -19.801 26.502 65 HD3 PRO 8 HD1 PRO 8 2.441 -19.731 28.062 66 HA PRO 9 HA PRO 9 2.505 -15.501 22.577 67 HB2 PRO 9 HB2 PRO 9 4.428 -15.182 20.718 68 HB3 PRO 9 HB1 PRO 9 4.445 -14.321 22.265 69 HG2 PRO 9 HG2 PRO 9 5.907 -16.805 21.469 70 HG3 PRO 9 HG1 PRO 9 6.532 -15.368 22.319 71 HD2 PRO 9 HD2 PRO 9 5.845 -17.633 23.621 72 HD3 PRO 9 HD1 PRO 9 5.608 -16.023 24.334 73 H ILE 10 H ILE 10 1.347 -15.847 20.768 74 HA ILE 10 HA ILE 10 1.588 -18.441 19.471 75 HB ILE 10 HB ILE 10 -0.530 -16.271 19.298 76 HG12 ILE 10 HG12 ILE 10 -0.524 -17.214 21.512 77 HG13 ILE 10 HG11 ILE 10 -1.949 -17.783 20.654 78 HG21 ILE 10 HG21 ILE 10 -0.603 -19.097 18.244 79 HG22 ILE 10 HG22 ILE 10 -0.478 -17.629 17.275 80 HG23 ILE 10 HG23 ILE 10 -1.945 -17.953 18.200 81 HD11 ILE 10 HD11 ILE 10 -0.975 -19.566 21.963 82 HD12 ILE 10 HD12 ILE 10 0.580 -19.330 21.163 83 HD13 ILE 10 HD13 ILE 10 -0.805 -19.924 20.239 84 H CYS 11 H CYS 11 2.967 -18.358 17.804 85 HA CYS 11 HA CYS 11 3.132 -15.842 16.344 86 HB2 CYS 11 HB2 CYS 11 5.216 -18.006 16.612 87 HB3 CYS 11 HB1 CYS 11 5.385 -16.522 15.680 88 H PHE 12 H PHE 12 2.850 -15.716 14.300 89 HA PHE 12 HA PHE 12 1.738 -17.984 12.875 90 HB2 PHE 12 HB2 PHE 12 1.887 -15.023 12.305 91 HB3 PHE 12 HB1 PHE 12 1.303 -16.179 11.112 92 HD1 PHE 12 HD1 PHE 12 -0.655 -17.550 11.608 93 HD2 PHE 12 HD2 PHE 12 0.501 -14.303 14.090 94 HE1 PHE 12 HE1 PHE 12 -2.865 -17.544 12.570 95 HE2 PHE 12 HE2 PHE 12 -1.748 -14.265 15.093 96 HZ PHE 12 HZ PHE 12 -3.452 -15.888 14.341 97 HA PRO 13 HA PRO 13 5.106 -19.352 10.392 98 HB2 PRO 13 HB2 PRO 13 3.571 -18.151 8.108 99 HB3 PRO 13 HB1 PRO 13 4.429 -19.697 8.182 100 HG2 PRO 13 HG2 PRO 13 1.808 -19.668 8.511 101 HG3 PRO 13 HG1 PRO 13 2.819 -20.682 9.551 102 HD2 PRO 13 HD2 PRO 13 1.388 -18.157 10.208 103 HD3 PRO 13 HD1 PRO 13 1.797 -19.504 11.263 104 H ASP 14 H ASP 14 4.021 -16.262 8.948 105 HA ASP 14 HA ASP 14 6.540 -15.075 9.705 106 HB2 ASP 14 HB2 ASP 14 7.158 -16.118 7.566 107 HB3 ASP 14 HB1 ASP 14 5.850 -15.249 6.767 108 H GLY 15 H GLY 15 3.919 -14.493 7.446 109 HA2 GLY 15 HA2 GLY 15 3.084 -12.195 8.911 110 HA3 GLY 15 HA1 GLY 15 3.836 -11.820 7.362 111 H LEU 16 H LEU 16 1.135 -12.738 8.910 112 HA LEU 16 HA LEU 16 -0.168 -13.959 6.662 113 HB2 LEU 16 HB2 LEU 16 -2.132 -14.203 8.022 114 HB3 LEU 16 HB1 LEU 16 -0.731 -14.706 8.930 115 HG LEU 16 HG LEU 16 -2.166 -12.065 9.309 116 HD11 LEU 16 HD11 LEU 16 -3.046 -13.066 11.341 117 HD12 LEU 16 HD12 LEU 16 -2.310 -14.610 10.901 118 HD13 LEU 16 HD13 LEU 16 -3.592 -13.924 9.900 119 HD21 LEU 16 HD21 LEU 16 -0.926 -11.986 11.441 120 HD22 LEU 16 HD22 LEU 16 0.139 -11.937 10.044 121 HD23 LEU 16 HD23 LEU 16 -0.037 -13.437 10.964 122 H ASP 17 H ASP 17 0.381 -10.794 7.604 123 HA ASP 17 HA ASP 17 -1.994 -9.869 6.193 124 HB2 ASP 17 HB2 ASP 17 -1.745 -8.802 8.332 125 HB3 ASP 17 HB1 ASP 17 -0.083 -8.354 7.973 126 H ASN 18 H ASN 18 -1.508 -10.157 4.117 127 HA ASN 18 HA ASN 18 0.450 -8.288 3.104 128 HB2 ASN 18 HB2 ASN 18 0.994 -9.847 1.218 129 HB3 ASN 18 HB1 ASN 18 1.507 -10.444 2.784 130 HD21 ASN 18 HD21 ASN 18 1.060 -11.868 0.298 131 HD22 ASN 18 HD22 ASN 18 -0.112 -13.087 0.645 132 HA PRO 19 HA PRO 19 -3.730 -7.139 1.685 133 HB2 PRO 19 HB2 PRO 19 -2.417 -4.503 1.487 134 HB3 PRO 19 HB1 PRO 19 -3.891 -4.961 2.344 135 HG2 PRO 19 HG2 PRO 19 -1.649 -4.400 3.662 136 HG3 PRO 19 HG1 PRO 19 -2.735 -5.690 4.211 137 HD2 PRO 19 HD2 PRO 19 -0.155 -5.888 2.706 138 HD3 PRO 19 HD1 PRO 19 -0.762 -6.876 4.055 139 H ARG 20 H ARG 20 -0.674 -6.526 0.281 140 HA ARG 20 HA ARG 20 -1.916 -5.805 -2.296 141 HB2 ARG 20 HB2 ARG 20 1.068 -5.794 -1.685 142 HB3 ARG 20 HB1 ARG 20 0.288 -5.098 -3.091 143 HG2 ARG 20 HG2 ARG 20 0.744 -3.232 -1.819 144 HG3 ARG 20 HG1 ARG 20 -0.917 -3.584 -1.333 145 HD2 ARG 20 HD2 ARG 20 0.207 -5.009 0.521 146 HD3 ARG 20 HD1 ARG 20 1.635 -4.067 0.153 147 HE ARG 20 HE ARG 20 -0.548 -2.339 0.541 148 HH11 ARG 20 HH11 ARG 20 1.823 -4.245 2.387 149 HH12 ARG 20 HH12 ARG 20 1.353 -3.610 3.889 150 HH21 ARG 20 HH21 ARG 20 -1.184 -1.521 2.580 151 HH22 ARG 20 HH22 ARG 20 -0.358 -1.988 4.011 152 H GLY 21 H GLY 21 0.528 -7.884 -0.939 153 HA2 GLY 21 HA2 GLY 21 -0.167 -10.305 -1.651 154 HA3 GLY 21 HA1 GLY 21 0.522 -9.654 -3.181 155 H CYS 22 H CYS 22 2.465 -8.272 -2.640 156 HA CYS 22 HA CYS 22 4.308 -9.910 -1.194 157 HB2 CYS 22 HB2 CYS 22 4.527 -7.274 -2.599 158 HB3 CYS 22 HB1 CYS 22 5.899 -8.032 -1.845 159 H GLN 23 H GLN 23 4.868 -9.508 0.879 160 HA GLN 23 HA GLN 23 3.955 -6.995 2.003 161 HB2 GLN 23 HB2 GLN 23 4.287 -8.085 4.218 162 HB3 GLN 23 HB1 GLN 23 3.019 -8.799 3.193 163 HG2 GLN 23 HG2 GLN 23 4.471 -10.574 2.588 164 HG3 GLN 23 HG1 GLN 23 5.799 -9.885 3.509 165 HE21 GLN 23 HE21 GLN 23 6.007 -11.667 4.746 166 HE22 GLN 23 HE22 GLN 23 4.919 -12.126 5.984 167 H ILE 24 H ILE 24 5.300 -5.576 2.155 168 HA ILE 24 HA ILE 24 8.160 -6.164 2.126 169 HB ILE 24 HB ILE 24 6.776 -3.572 1.300 170 HG12 ILE 24 HG12 ILE 24 7.497 -4.248 -1.058 171 HG13 ILE 24 HG11 ILE 24 7.682 -5.887 -0.405 172 HG21 ILE 24 HG21 ILE 24 8.861 -3.038 0.191 173 HG22 ILE 24 HG22 ILE 24 9.593 -4.504 0.833 174 HG23 ILE 24 HG23 ILE 24 9.105 -3.202 1.938 175 HD11 ILE 24 HD11 ILE 24 5.295 -5.821 0.147 176 HD12 ILE 24 HD12 ILE 24 5.637 -5.642 -1.568 177 HD13 ILE 24 HD13 ILE 24 5.192 -4.226 -0.607 178 H ARG 25 H ARG 25 9.507 -5.007 3.633 179 HA ARG 25 HA ARG 25 8.281 -4.525 6.116 180 HB2 ARG 25 HB2 ARG 25 10.543 -3.852 6.842 181 HB3 ARG 25 HB1 ARG 25 10.598 -5.358 5.944 182 HG2 ARG 25 HG2 ARG 25 11.282 -3.925 3.914 183 HG3 ARG 25 HG1 ARG 25 11.400 -2.622 5.066 184 HD2 ARG 25 HD2 ARG 25 13.083 -3.767 6.327 185 HD3 ARG 25 HD1 ARG 25 12.930 -5.190 5.286 186 HE ARG 25 HE ARG 25 13.500 -3.178 3.561 187 HH11 ARG 25 HH11 ARG 25 15.170 -4.474 6.420 188 HH12 ARG 25 HH12 ARG 25 16.715 -4.006 5.852 189 HH21 ARG 25 HH21 ARG 25 15.658 -2.542 2.853 190 HH22 ARG 25 HH22 ARG 25 16.969 -2.931 3.847 191 H ILE 26 H ILE 26 7.304 -2.798 6.797 192 HA ILE 26 HA ILE 26 7.056 -0.567 5.061 193 HB ILE 26 HB ILE 26 5.611 0.438 6.881 194 HG12 ILE 26 HG12 ILE 26 4.702 -1.237 8.555 195 HG13 ILE 26 HG11 ILE 26 6.053 -2.283 8.165 196 HG21 ILE 26 HG21 ILE 26 3.774 -1.108 6.422 197 HG22 ILE 26 HG22 ILE 26 4.972 -2.243 5.769 198 HG23 ILE 26 HG23 ILE 26 4.722 -0.679 4.987 199 HD11 ILE 26 HD11 ILE 26 6.399 -1.083 10.238 200 HD12 ILE 26 HD12 ILE 26 6.219 0.460 9.397 201 HD13 ILE 26 HD13 ILE 26 7.587 -0.591 9.031 202 H GLN 27 H GLN 27 9.207 -1.322 7.377 203 HA GLN 27 HA GLN 27 9.708 1.290 8.415 204 HB2 GLN 27 HB2 GLN 27 11.750 0.317 9.373 205 HB3 GLN 27 HB1 GLN 27 10.298 -0.648 9.664 206 HG2 GLN 27 HG2 GLN 27 10.929 -2.290 8.126 207 HG3 GLN 27 HG1 GLN 27 12.190 -1.277 7.428 208 HE21 GLN 27 HE21 GLN 27 11.268 -3.215 10.157 209 HE22 GLN 27 HE22 GLN 27 12.842 -3.427 10.802 210 H GLN 28 H GLN 28 10.590 -0.388 5.558 211 HA GLN 28 HA GLN 28 12.895 1.256 5.119 212 HB2 GLN 28 HB2 GLN 28 13.374 -0.085 3.252 213 HB3 GLN 28 HB1 GLN 28 12.566 -1.169 4.366 214 HG2 GLN 28 HG2 GLN 28 10.571 -1.124 3.150 215 HG3 GLN 28 HG1 GLN 28 11.144 0.193 2.119 216 HE21 GLN 28 HE21 GLN 28 10.922 -0.935 0.244 217 HE22 GLN 28 HE22 GLN 28 11.938 -2.279 -0.146 218 H LEU 29 H LEU 29 9.543 1.388 4.584 219 HA LEU 29 HA LEU 29 9.765 3.320 2.398 220 HB2 LEU 29 HB2 LEU 29 7.323 2.082 3.640 221 HB3 LEU 29 HB1 LEU 29 7.268 3.358 2.451 222 HG LEU 29 HG LEU 29 6.851 1.528 1.203 223 HD11 LEU 29 HD11 LEU 29 8.646 2.761 0.233 224 HD12 LEU 29 HD12 LEU 29 8.808 1.048 -0.185 225 HD13 LEU 29 HD13 LEU 29 9.835 1.770 1.067 226 HD21 LEU 29 HD21 LEU 29 8.003 -0.661 1.433 227 HD22 LEU 29 HD22 LEU 29 7.119 -0.147 2.873 228 HD23 LEU 29 HD23 LEU 29 8.873 0.014 2.819 229 H ASN 30 H ASN 30 9.886 3.336 5.618 230 HA ASN 30 HA ASN 30 8.195 5.395 6.404 231 HB2 ASN 30 HB2 ASN 30 9.388 4.004 8.017 232 HB3 ASN 30 HB1 ASN 30 10.923 4.669 7.496 233 HD21 ASN 30 HD21 ASN 30 7.897 6.519 8.143 234 HD22 ASN 30 HD22 ASN 30 8.572 7.401 9.448 235 H HIS 31 H HIS 31 11.266 5.513 4.713 236 HA HIS 31 HA HIS 31 11.726 8.299 5.178 237 HB2 HIS 31 HB2 HIS 31 13.451 6.506 4.269 238 HB3 HIS 31 HB1 HIS 31 12.711 6.915 2.718 239 HD1 HIS 31 HD1 HIS 31 15.563 7.856 4.594 240 HD2 HIS 31 HD2 HIS 31 12.717 9.907 2.363 241 HE1 HIS 31 HE1 HIS 31 16.604 10.059 3.989 242 H CYS 32 H CYS 32 10.511 6.475 2.374 243 HA CYS 32 HA CYS 32 9.794 8.620 0.750 244 HB2 CYS 32 HB2 CYS 32 9.338 5.768 0.820 245 HB3 CYS 32 HB1 CYS 32 7.870 6.598 0.309 246 H GLN 33 H GLN 33 7.780 6.766 3.020 247 HA GLN 33 HA GLN 33 5.458 8.136 2.922 248 HB2 GLN 33 HB2 GLN 33 5.510 6.188 4.112 249 HB3 GLN 33 HB1 GLN 33 6.928 6.646 5.034 250 HG2 GLN 33 HG2 GLN 33 5.523 8.440 6.071 251 HG3 GLN 33 HG1 GLN 33 4.128 7.630 5.333 252 HE21 GLN 33 HE21 GLN 33 3.308 5.895 6.362 253 HE22 GLN 33 HE22 GLN 33 3.960 5.160 7.780 254 H MET 34 H MET 34 8.181 8.836 5.212 255 HA MET 34 HA MET 34 6.735 11.026 6.292 256 HB2 MET 34 HB2 MET 34 8.702 11.616 7.571 257 HB3 MET 34 HB1 MET 34 8.353 9.894 7.714 258 HG2 MET 34 HG2 MET 34 10.204 9.397 6.254 259 HG3 MET 34 HG1 MET 34 10.475 11.114 5.957 260 HE1 MET 34 HE1 MET 34 11.405 12.800 7.690 261 HE2 MET 34 HE2 MET 34 11.802 12.412 9.357 262 HE3 MET 34 HE3 MET 34 10.117 12.436 8.844 263 H HIS 35 H HIS 35 9.318 10.822 3.970 264 HA HIS 35 HA HIS 35 9.848 13.598 3.893 265 HB2 HIS 35 HB2 HIS 35 11.221 11.559 3.007 266 HB3 HIS 35 HB1 HIS 35 10.307 11.824 1.530 267 HD1 HIS 35 HD1 HIS 35 10.415 15.032 1.704 268 HD2 HIS 35 HD2 HIS 35 13.581 12.377 2.092 269 HE1 HIS 35 HE1 HIS 35 12.496 16.361 1.154 270 H LEU 36 H LEU 36 7.480 11.591 2.292 271 HA LEU 36 HA LEU 36 6.756 13.732 0.512 272 HB2 LEU 36 HB2 LEU 36 5.559 11.016 0.919 273 HB3 LEU 36 HB1 LEU 36 4.983 12.204 -0.256 274 HG LEU 36 HG LEU 36 7.693 10.900 -0.178 275 HD11 LEU 36 HD11 LEU 36 5.969 9.366 -0.871 276 HD12 LEU 36 HD12 LEU 36 7.004 9.782 -2.238 277 HD13 LEU 36 HD13 LEU 36 5.406 10.513 -2.087 278 HD21 LEU 36 HD21 LEU 36 6.562 12.832 -2.196 279 HD22 LEU 36 HD22 LEU 36 8.066 11.937 -2.386 280 HD23 LEU 36 HD23 LEU 36 7.914 13.127 -1.097 281 H THR 37 H THR 37 5.621 12.423 3.559 282 HA THR 37 HA THR 37 3.192 13.918 3.251 283 HB THR 37 HB THR 37 2.743 13.235 5.590 284 HG1 THR 37 HG1 THR 37 4.854 11.387 5.317 285 HG21 THR 37 HG21 THR 37 2.399 10.843 5.064 286 HG22 THR 37 HG22 THR 37 3.421 11.035 3.637 287 HG23 THR 37 HG23 THR 37 1.887 11.898 3.748 288 H SER 38 H SER 38 6.303 14.473 4.446 289 HA SER 38 HA SER 38 5.404 16.768 5.956 290 HB2 SER 38 HB2 SER 38 7.787 17.054 6.657 291 HB3 SER 38 HB1 SER 38 7.073 15.515 7.130 292 HG SER 38 HG SER 38 8.135 14.550 5.415 293 H PHE 39 H PHE 39 5.158 18.676 5.050 294 HA PHE 39 HA PHE 39 6.868 19.335 2.805 295 HB2 PHE 39 HB2 PHE 39 4.692 20.939 4.191 296 HB3 PHE 39 HB1 PHE 39 5.675 21.567 2.872 297 HD1 PHE 39 HD1 PHE 39 5.624 20.344 0.676 298 HD2 PHE 39 HD2 PHE 39 2.775 19.708 3.754 299 HE1 PHE 39 HE1 PHE 39 4.090 19.370 -0.966 300 HE2 PHE 39 HE2 PHE 39 1.235 18.732 2.119 301 HZ PHE 39 HZ PHE 39 1.892 18.562 -0.242 302 H ASP 40 H ASP 40 8.826 19.374 3.623 303 HA ASP 40 HA ASP 40 9.258 20.381 6.244 304 HB2 ASP 40 HB2 ASP 40 10.443 18.400 5.054 305 HB3 ASP 40 HB1 ASP 40 11.449 19.651 4.342 306 H TYR 41 H TYR 41 11.335 21.761 6.422 307 HA TYR 41 HA TYR 41 10.413 24.244 5.197 308 HB2 TYR 41 HB2 TYR 41 11.214 25.342 7.239 309 HB3 TYR 41 HB1 TYR 41 10.123 23.959 7.474 310 HD1 TYR 41 HD1 TYR 41 13.624 25.032 7.882 311 HD2 TYR 41 HD2 TYR 41 10.735 22.019 8.655 312 HE1 TYR 41 HE1 TYR 41 15.187 23.924 9.395 313 HE2 TYR 41 HE2 TYR 41 12.292 20.904 10.178 314 HH TYR 41 HH TYR 41 15.014 22.353 11.387 315 H LYS 42 H LYS 42 13.314 22.341 5.819 316 HA LYS 42 HA LYS 42 14.889 24.521 4.784 317 HB2 LYS 42 HB2 LYS 42 16.834 23.419 5.482 318 HB3 LYS 42 HB1 LYS 42 15.565 22.953 6.614 319 HG2 LYS 42 HG2 LYS 42 16.410 21.198 4.329 320 HG3 LYS 42 HG1 LYS 42 17.188 21.125 5.908 321 HD2 LYS 42 HD2 LYS 42 14.875 20.688 6.835 322 HD3 LYS 42 HD1 LYS 42 14.352 20.533 5.158 323 HE2 LYS 42 HE2 LYS 42 15.829 18.693 4.786 324 HE3 LYS 42 HE1 LYS 42 16.587 18.909 6.358 325 HZ1 LYS 42 HZ1 LYS 42 15.016 17.086 6.401 326 HZ2 LYS 42 HZ2 LYS 42 13.772 18.082 5.885 327 HZ3 LYS 42 HZ3 LYS 42 14.462 18.328 7.397 328 H LEU 43 H LEU 43 12.996 22.635 3.273 329 HA LEU 43 HA LEU 43 14.537 21.724 1.007 330 HB2 LEU 43 HB2 LEU 43 11.577 22.071 1.440 331 HB3 LEU 43 HB1 LEU 43 12.282 21.316 0.026 332 HG LEU 43 HG LEU 43 12.701 20.288 2.809 333 HD11 LEU 43 HD11 LEU 43 10.973 18.619 2.232 334 HD12 LEU 43 HD12 LEU 43 10.615 19.531 0.753 335 HD13 LEU 43 HD13 LEU 43 10.358 20.261 2.348 336 HD21 LEU 43 HD21 LEU 43 13.308 18.237 1.638 337 HD22 LEU 43 HD22 LEU 43 14.347 19.581 1.170 338 HD23 LEU 43 HD23 LEU 43 13.059 19.041 0.086 339 H ARG 44 H ARG 44 14.958 24.407 1.500 340 HA ARG 44 HA ARG 44 13.187 26.107 0.038 341 HB2 ARG 44 HB2 ARG 44 15.844 26.664 1.332 342 HB3 ARG 44 HB1 ARG 44 14.758 27.894 0.673 343 HG2 ARG 44 HG2 ARG 44 13.020 27.230 2.210 344 HG3 ARG 44 HG1 ARG 44 14.032 25.926 2.811 345 HD2 ARG 44 HD2 ARG 44 15.593 27.536 3.725 346 HD3 ARG 44 HD1 ARG 44 14.648 28.878 3.070 347 HE ARG 44 HE ARG 44 13.039 27.197 4.664 348 HH11 ARG 44 HH11 ARG 44 15.542 29.674 5.032 349 HH12 ARG 44 HH12 ARG 44 14.980 30.235 6.529 350 HH21 ARG 44 HH21 ARG 44 12.268 27.948 6.720 351 HH22 ARG 44 HH22 ARG 44 13.073 29.193 7.550 352 H MET 45 H MET 45 16.026 24.369 -0.792 353 HA MET 45 HA MET 45 16.037 25.819 -3.341 354 HB2 MET 45 HB2 MET 45 18.241 24.111 -2.165 355 HB3 MET 45 HB1 MET 45 18.307 24.951 -3.707 356 HG2 MET 45 HG2 MET 45 18.051 27.089 -2.513 357 HG3 MET 45 HG1 MET 45 18.090 26.211 -0.993 358 HE1 MET 45 HE1 MET 45 20.113 27.522 -4.061 359 HE2 MET 45 HE2 MET 45 20.194 25.785 -4.344 360 HE3 MET 45 HE3 MET 45 21.652 26.677 -3.911 361 H ALA 46 H ALA 46 14.443 23.481 -2.169 362 HA ALA 46 HA ALA 46 14.686 21.833 -4.541 363 HB1 ALA 46 HB1 ALA 46 14.531 20.735 -1.745 364 HB2 ALA 46 HB2 ALA 46 15.936 20.673 -2.820 365 HB3 ALA 46 HB3 ALA 46 14.461 19.796 -3.236 366 H VAL 47 H VAL 47 12.847 22.984 -5.190 367 HA VAL 47 HA VAL 47 10.408 22.384 -3.707 368 HB VAL 47 HB VAL 47 10.799 24.011 -6.238 369 HG11 VAL 47 HG11 VAL 47 8.369 23.759 -4.448 370 HG12 VAL 47 HG12 VAL 47 8.519 23.101 -6.074 371 HG13 VAL 47 HG13 VAL 47 8.510 24.847 -5.828 372 HG21 VAL 47 HG21 VAL 47 10.446 25.966 -4.803 373 HG22 VAL 47 HG22 VAL 47 11.871 25.042 -4.320 374 HG23 VAL 47 HG23 VAL 47 10.376 24.911 -3.394 375 H GLU 48 H GLU 48 11.215 22.307 -7.172 376 HA GLU 48 HA GLU 48 10.497 19.469 -7.242 377 HB2 GLU 48 HB2 GLU 48 9.664 21.540 -9.295 378 HB3 GLU 48 HB1 GLU 48 9.398 19.810 -9.440 379 HG2 GLU 48 HG2 GLU 48 7.990 19.950 -7.365 380 HG3 GLU 48 HG1 GLU 48 8.149 21.698 -7.464 381 H ASN 49 H ASN 49 12.822 21.273 -7.171 382 HA ASN 49 HA ASN 49 14.317 21.252 -9.577 383 HB2 ASN 49 HB2 ASN 49 15.251 21.297 -6.690 384 HB3 ASN 49 HB1 ASN 49 16.254 21.717 -8.064 385 HD21 ASN 49 HD21 ASN 49 15.875 23.676 -9.136 386 HD22 ASN 49 HD22 ASN 49 14.975 24.940 -8.424 387 HA PRO 50 HA PRO 50 15.868 17.057 -9.856 388 HB2 PRO 50 HB2 PRO 50 18.616 17.352 -9.965 389 HB3 PRO 50 HB1 PRO 50 17.538 17.551 -11.348 390 HG2 PRO 50 HG2 PRO 50 18.704 19.623 -9.543 391 HG3 PRO 50 HG1 PRO 50 18.534 19.650 -11.308 392 HD2 PRO 50 HD2 PRO 50 16.850 21.023 -9.793 393 HD3 PRO 50 HD1 PRO 50 16.267 20.125 -11.205 394 H LYS 51 H LYS 51 17.093 19.112 -7.400 395 HA LYS 51 HA LYS 51 18.414 17.281 -5.731 396 HB2 LYS 51 HB2 LYS 51 16.837 19.745 -5.018 397 HB3 LYS 51 HB1 LYS 51 17.731 18.796 -3.845 398 HG2 LYS 51 HG2 LYS 51 18.905 20.207 -6.229 399 HG3 LYS 51 HG1 LYS 51 18.963 20.784 -4.563 400 HD2 LYS 51 HD2 LYS 51 20.245 18.257 -5.644 401 HD3 LYS 51 HD1 LYS 51 21.076 19.736 -5.190 402 HE2 LYS 51 HE2 LYS 51 19.548 17.907 -3.327 403 HE3 LYS 51 HE1 LYS 51 21.297 18.041 -3.452 404 HZ1 LYS 51 HZ1 LYS 51 19.448 20.185 -2.522 405 HZ2 LYS 51 HZ2 LYS 51 21.096 20.375 -2.710 406 HZ3 LYS 51 HZ3 LYS 51 20.502 19.295 -1.577 407 H GLN 52 H GLN 52 15.044 17.643 -6.407 408 HA GLN 52 HA GLN 52 14.117 16.376 -4.046 409 HB2 GLN 52 HB2 GLN 52 12.837 16.855 -6.714 410 HB3 GLN 52 HB1 GLN 52 11.986 16.085 -5.375 411 HG2 GLN 52 HG2 GLN 52 13.274 18.787 -5.226 412 HG3 GLN 52 HG1 GLN 52 11.566 18.526 -5.589 413 HE21 GLN 52 HE21 GLN 52 10.196 17.890 -3.969 414 HE22 GLN 52 HE22 GLN 52 10.675 17.944 -2.303 415 H GLN 53 H GLN 53 15.638 15.205 -6.821 416 HA GLN 53 HA GLN 53 14.530 12.580 -6.664 417 HB2 GLN 53 HB2 GLN 53 17.022 13.577 -8.053 418 HB3 GLN 53 HB1 GLN 53 16.430 11.925 -8.160 419 HG2 GLN 53 HG2 GLN 53 14.334 12.766 -9.146 420 HG3 GLN 53 HG1 GLN 53 14.990 14.400 -9.090 421 HE21 GLN 53 HE21 GLN 53 14.840 14.609 -11.316 422 HE22 GLN 53 HE22 GLN 53 15.906 13.807 -12.402 423 H GLN 54 H GLN 54 16.369 14.208 -4.561 424 HA GLN 54 HA GLN 54 18.341 12.503 -3.633 425 HB2 GLN 54 HB2 GLN 54 17.985 13.562 -1.400 426 HB3 GLN 54 HB1 GLN 54 18.085 14.732 -2.706 427 HG2 GLN 54 HG2 GLN 54 15.652 15.022 -2.664 428 HG3 GLN 54 HG1 GLN 54 15.499 13.805 -1.421 429 HE21 GLN 54 HE21 GLN 54 14.814 16.701 -1.435 430 HE22 GLN 54 HE22 GLN 54 15.648 17.347 -0.075 431 H HIS 55 H HIS 55 14.943 12.622 -2.682 432 HA HIS 55 HA HIS 55 15.260 10.327 -1.050 433 HB2 HIS 55 HB2 HIS 55 12.697 10.505 -0.788 434 HB3 HIS 55 HB1 HIS 55 13.702 11.768 -0.105 435 HD1 HIS 55 HD1 HIS 55 12.697 13.997 -0.458 436 HD2 HIS 55 HD2 HIS 55 11.850 11.411 -3.563 437 HE1 HIS 55 HE1 HIS 55 11.190 15.281 -2.023 438 H LEU 56 H LEU 56 14.469 10.853 -4.280 439 HA LEU 56 HA LEU 56 13.234 8.316 -4.688 440 HB2 LEU 56 HB2 LEU 56 12.948 10.120 -6.336 441 HB3 LEU 56 HB1 LEU 56 14.665 10.134 -6.649 442 HG LEU 56 HG LEU 56 13.189 9.079 -8.425 443 HD11 LEU 56 HD11 LEU 56 14.680 7.240 -8.961 444 HD12 LEU 56 HD12 LEU 56 15.383 7.346 -7.346 445 HD13 LEU 56 HD13 LEU 56 15.562 8.689 -8.474 446 HD21 LEU 56 HD21 LEU 56 11.664 7.873 -7.013 447 HD22 LEU 56 HD22 LEU 56 12.980 6.867 -6.408 448 HD23 LEU 56 HD23 LEU 56 12.492 6.758 -8.102 449 H SER 57 H SER 57 16.502 9.585 -4.959 450 HA SER 57 HA SER 57 17.796 7.277 -5.797 451 HB2 SER 57 HB2 SER 57 18.844 9.441 -3.954 452 HB3 SER 57 HB1 SER 57 19.832 8.279 -4.839 453 HG SER 57 HG SER 57 18.130 10.279 -5.948 454 H LEU 58 H LEU 58 16.771 8.280 -2.623 455 HA LEU 58 HA LEU 58 18.131 6.139 -1.276 456 HB2 LEU 58 HB2 LEU 58 15.946 7.909 -0.208 457 HB3 LEU 58 HB1 LEU 58 17.147 7.016 0.702 458 HG LEU 58 HG LEU 58 17.694 9.362 -1.109 459 HD11 LEU 58 HD11 LEU 58 17.772 9.173 1.893 460 HD12 LEU 58 HD12 LEU 58 16.589 10.053 0.926 461 HD13 LEU 58 HD13 LEU 58 18.276 10.567 0.939 462 HD21 LEU 58 HD21 LEU 58 19.576 7.814 0.653 463 HD22 LEU 58 HD22 LEU 58 19.973 9.303 -0.204 464 HD23 LEU 58 HD23 LEU 58 19.574 7.844 -1.111 465 H CYS 59 H CYS 59 14.728 6.953 -1.917 466 HA CYS 59 HA CYS 59 13.685 4.640 -0.717 467 HB2 CYS 59 HB2 CYS 59 12.527 6.818 -1.089 468 HB3 CYS 59 HB1 CYS 59 12.411 6.407 -2.791 469 H CYS 60 H CYS 60 14.206 5.442 -4.245 470 HA CYS 60 HA CYS 60 13.320 2.999 -5.220 471 HB2 CYS 60 HB2 CYS 60 13.655 4.840 -6.738 472 HB3 CYS 60 HB1 CYS 60 15.350 4.967 -6.307 473 H ASN 61 H ASN 61 16.369 3.885 -3.772 474 HA ASN 61 HA ASN 61 17.777 1.521 -4.629 475 HB2 ASN 61 HB2 ASN 61 18.853 3.577 -4.165 476 HB3 ASN 61 HB1 ASN 61 18.435 3.513 -2.451 477 HD21 ASN 61 HD21 ASN 61 20.535 3.445 -1.676 478 HD22 ASN 61 HD22 ASN 61 21.626 2.158 -1.979 479 H GLN 62 H GLN 62 15.753 2.405 -1.999 480 HA GLN 62 HA GLN 62 16.575 0.141 -0.417 481 HB2 GLN 62 HB2 GLN 62 15.904 2.338 0.607 482 HB3 GLN 62 HB1 GLN 62 14.279 2.047 0.020 483 HG2 GLN 62 HG2 GLN 62 14.425 1.449 2.327 484 HG3 GLN 62 HG1 GLN 62 14.171 0.003 1.340 485 HE21 GLN 62 HE21 GLN 62 16.315 1.689 3.429 486 HE22 GLN 62 HE22 GLN 62 17.505 0.453 3.544 487 H LEU 63 H LEU 63 13.746 1.132 -2.236 488 HA LEU 63 HA LEU 63 12.214 -1.140 -1.616 489 HB2 LEU 63 HB2 LEU 63 10.682 -0.358 -3.305 490 HB3 LEU 63 HB1 LEU 63 11.349 1.032 -2.477 491 HG LEU 63 HG LEU 63 12.999 1.119 -4.459 492 HD11 LEU 63 HD11 LEU 63 10.688 -0.273 -5.741 493 HD12 LEU 63 HD12 LEU 63 12.259 -0.986 -5.407 494 HD13 LEU 63 HD13 LEU 63 12.136 0.376 -6.539 495 HD21 LEU 63 HD21 LEU 63 11.396 2.495 -5.694 496 HD22 LEU 63 HD22 LEU 63 11.535 2.861 -3.971 497 HD23 LEU 63 HD23 LEU 63 10.132 1.954 -4.569 498 H GLN 64 H GLN 64 14.598 -0.510 -4.035 499 HA GLN 64 HA GLN 64 14.055 -2.706 -5.720 500 HB2 GLN 64 HB2 GLN 64 16.081 -2.134 -6.886 501 HB3 GLN 64 HB1 GLN 64 15.307 -0.652 -6.302 502 HG2 GLN 64 HG2 GLN 64 16.809 -0.272 -4.701 503 HG3 GLN 64 HG1 GLN 64 17.418 -1.923 -4.670 504 HE21 GLN 64 HE21 GLN 64 19.495 -1.370 -4.959 505 HE22 GLN 64 HE22 GLN 64 20.148 -0.722 -6.423 506 H GLU 65 H GLU 65 15.460 -2.669 -2.632 507 HA GLU 65 HA GLU 65 17.188 -4.932 -3.035 508 HB2 GLU 65 HB2 GLU 65 16.020 -3.798 -0.483 509 HB3 GLU 65 HB1 GLU 65 17.252 -5.049 -0.559 510 HG2 GLU 65 HG2 GLU 65 17.532 -2.216 -1.529 511 HG3 GLU 65 HG1 GLU 65 18.232 -2.893 -0.060 512 H VAL 66 H VAL 66 13.960 -4.354 -2.554 513 HA VAL 66 HA VAL 66 13.156 -7.042 -1.747 514 HB VAL 66 HB VAL 66 11.382 -4.889 -2.931 515 HG11 VAL 66 HG11 VAL 66 9.638 -5.838 -1.562 516 HG12 VAL 66 HG12 VAL 66 10.784 -6.996 -0.883 517 HG13 VAL 66 HG13 VAL 66 10.372 -7.068 -2.598 518 HG21 VAL 66 HG21 VAL 66 12.655 -3.814 -1.228 519 HG22 VAL 66 HG22 VAL 66 12.241 -5.084 -0.060 520 HG23 VAL 66 HG23 VAL 66 10.986 -4.015 -0.711 521 H GLU 67 H GLU 67 11.711 -8.332 -3.261 522 HA GLU 67 HA GLU 67 12.787 -8.910 -5.774 523 HB2 GLU 67 HB2 GLU 67 10.084 -9.239 -4.614 524 HB3 GLU 67 HB1 GLU 67 10.446 -9.807 -6.243 525 HG2 GLU 67 HG2 GLU 67 12.054 -11.287 -5.411 526 HG3 GLU 67 HG1 GLU 67 11.895 -10.654 -3.765 527 H LYS 68 H LYS 68 12.295 -8.255 -7.836 528 HA LYS 68 HA LYS 68 11.514 -5.619 -8.188 529 HB2 LYS 68 HB2 LYS 68 11.499 -6.067 -10.617 530 HB3 LYS 68 HB1 LYS 68 12.954 -6.596 -9.812 531 HG2 LYS 68 HG2 LYS 68 12.109 -8.910 -9.877 532 HG3 LYS 68 HG1 LYS 68 10.698 -8.322 -10.763 533 HD2 LYS 68 HD2 LYS 68 12.264 -9.109 -12.417 534 HD3 LYS 68 HD1 LYS 68 12.242 -7.339 -12.417 535 HE2 LYS 68 HE2 LYS 68 14.303 -7.270 -11.120 536 HE3 LYS 68 HE1 LYS 68 14.338 -9.030 -11.051 537 HZ1 LYS 68 HZ1 LYS 68 14.578 -9.050 -13.481 538 HZ2 LYS 68 HZ2 LYS 68 15.817 -8.140 -12.762 539 HZ3 LYS 68 HZ3 LYS 68 14.529 -7.364 -13.488 540 H GLN 69 H GLN 69 9.570 -8.433 -8.272 541 HA GLN 69 HA GLN 69 7.264 -7.135 -9.387 542 HB2 GLN 69 HB2 GLN 69 6.072 -9.199 -8.834 543 HB3 GLN 69 HB1 GLN 69 7.588 -9.559 -9.639 544 HG2 GLN 69 HG2 GLN 69 8.585 -10.051 -7.413 545 HG3 GLN 69 HG1 GLN 69 6.994 -9.814 -6.694 546 HE21 GLN 69 HE21 GLN 69 8.606 -12.217 -6.663 547 HE22 GLN 69 HE22 GLN 69 7.688 -13.421 -7.470 548 H CYS 70 H CYS 70 8.719 -7.317 -6.317 549 HA CYS 70 HA CYS 70 6.278 -6.530 -4.929 550 HB2 CYS 70 HB2 CYS 70 8.921 -7.469 -3.857 551 HB3 CYS 70 HB1 CYS 70 7.505 -7.106 -2.875 552 H GLN 71 H GLN 71 9.113 -5.306 -6.245 553 HA GLN 71 HA GLN 71 9.735 -3.152 -4.546 554 HB2 GLN 71 HB2 GLN 71 10.032 -3.516 -7.524 555 HB3 GLN 71 HB1 GLN 71 10.681 -2.124 -6.658 556 HG2 GLN 71 HG2 GLN 71 12.090 -3.602 -5.331 557 HG3 GLN 71 HG1 GLN 71 11.415 -5.001 -6.143 558 HE21 GLN 71 HE21 GLN 71 12.297 -2.002 -7.750 559 HE22 GLN 71 HE22 GLN 71 13.592 -2.662 -8.659 560 H CYS 72 H CYS 72 7.375 -3.523 -7.131 561 HA CYS 72 HA CYS 72 6.505 -0.824 -6.797 562 HB2 CYS 72 HB2 CYS 72 4.654 -1.489 -8.344 563 HB3 CYS 72 HB1 CYS 72 6.304 -1.622 -8.946 564 H GLU 73 H GLU 73 5.738 -3.862 -5.472 565 HA GLU 73 HA GLU 73 3.176 -3.274 -4.585 566 HB2 GLU 73 HB2 GLU 73 5.268 -5.121 -3.451 567 HB3 GLU 73 HB1 GLU 73 3.596 -5.112 -2.903 568 HG2 GLU 73 HG2 GLU 73 4.358 -5.613 -5.754 569 HG3 GLU 73 HG1 GLU 73 4.325 -6.907 -4.566 570 H ALA 74 H ALA 74 6.455 -2.754 -3.291 571 HA ALA 74 HA ALA 74 5.923 -1.894 -0.726 572 HB1 ALA 74 HB1 ALA 74 8.147 -0.943 -0.825 573 HB2 ALA 74 HB2 ALA 74 8.130 -1.034 -2.588 574 HB3 ALA 74 HB3 ALA 74 8.123 -2.512 -1.632 575 H ILE 75 H ILE 75 5.597 -0.357 -3.795 576 HA ILE 75 HA ILE 75 5.644 2.365 -2.970 577 HB ILE 75 HB ILE 75 4.285 1.142 -5.366 578 HG12 ILE 75 HG12 ILE 75 6.556 0.473 -5.407 579 HG13 ILE 75 HG11 ILE 75 6.385 1.765 -6.597 580 HG21 ILE 75 HG21 ILE 75 3.579 3.423 -4.854 581 HG22 ILE 75 HG22 ILE 75 4.414 3.302 -6.387 582 HG23 ILE 75 HG23 ILE 75 5.255 3.966 -4.978 583 HD11 ILE 75 HD11 ILE 75 7.628 1.827 -3.881 584 HD12 ILE 75 HD12 ILE 75 7.340 3.288 -4.845 585 HD13 ILE 75 HD13 ILE 75 8.418 2.015 -5.449 586 H LYS 76 H LYS 76 3.220 -0.122 -3.317 587 HA LYS 76 HA LYS 76 0.941 1.552 -3.197 588 HB2 LYS 76 HB2 LYS 76 1.252 -1.340 -2.392 589 HB3 LYS 76 HB1 LYS 76 -0.264 -0.544 -2.781 590 HG2 LYS 76 HG2 LYS 76 2.010 -1.063 -4.708 591 HG3 LYS 76 HG1 LYS 76 0.520 -1.994 -4.607 592 HD2 LYS 76 HD2 LYS 76 0.675 0.950 -5.266 593 HD3 LYS 76 HD1 LYS 76 0.537 -0.336 -6.464 594 HE2 LYS 76 HE2 LYS 76 -1.596 -1.028 -5.453 595 HE3 LYS 76 HE1 LYS 76 -1.448 0.268 -4.276 596 HZ1 LYS 76 HZ1 LYS 76 -2.911 0.867 -6.072 597 HZ2 LYS 76 HZ2 LYS 76 -1.717 0.631 -7.216 598 HZ3 LYS 76 HZ3 LYS 76 -1.574 1.874 -6.074 599 H GLN 77 H GLN 77 2.906 -0.231 -1.042 600 HA GLN 77 HA GLN 77 1.461 0.044 1.343 601 HB2 GLN 77 HB2 GLN 77 4.457 -0.074 1.236 602 HB3 GLN 77 HB1 GLN 77 3.400 -0.612 2.525 603 HG2 GLN 77 HG2 GLN 77 2.550 -2.253 0.546 604 HG3 GLN 77 HG1 GLN 77 4.126 -1.882 -0.014 605 HE21 GLN 77 HE21 GLN 77 5.379 -1.523 2.517 606 HE22 GLN 77 HE22 GLN 77 5.576 -3.099 3.207 607 H VAL 78 H VAL 78 3.909 2.107 -0.190 608 HA VAL 78 HA VAL 78 4.327 3.841 1.979 609 HB VAL 78 HB VAL 78 4.326 4.835 -0.877 610 HG11 VAL 78 HG11 VAL 78 4.451 6.496 0.857 611 HG12 VAL 78 HG12 VAL 78 5.918 6.435 -0.113 612 HG13 VAL 78 HG13 VAL 78 5.891 5.718 1.509 613 HG21 VAL 78 HG21 VAL 78 6.607 3.510 0.558 614 HG22 VAL 78 HG22 VAL 78 6.665 4.234 -1.051 615 HG23 VAL 78 HG23 VAL 78 5.687 2.792 -0.759 616 H VAL 79 H VAL 79 1.976 3.820 -0.655 617 HA VAL 79 HA VAL 79 0.964 6.420 -0.138 618 HB VAL 79 HB VAL 79 -0.514 4.140 -1.451 619 HG11 VAL 79 HG11 VAL 79 -1.882 6.049 -0.868 620 HG12 VAL 79 HG12 VAL 79 -1.731 5.912 -2.624 621 HG13 VAL 79 HG13 VAL 79 -0.796 7.125 -1.743 622 HG21 VAL 79 HG21 VAL 79 1.628 4.366 -2.546 623 HG22 VAL 79 HG22 VAL 79 1.400 6.110 -2.715 624 HG23 VAL 79 HG23 VAL 79 0.362 4.989 -3.605 625 H GLU 80 H GLU 80 -0.030 3.183 0.645 626 HA GLU 80 HA GLU 80 -2.414 3.749 1.973 627 HB2 GLU 80 HB2 GLU 80 -0.491 1.468 2.356 628 HB3 GLU 80 HB1 GLU 80 -2.106 1.539 3.043 629 HG2 GLU 80 HG2 GLU 80 -3.065 1.596 0.793 630 HG3 GLU 80 HG1 GLU 80 -1.437 1.537 0.111 631 H GLN 81 H GLN 81 0.842 3.268 3.317 632 HA GLN 81 HA GLN 81 -0.053 3.727 5.969 633 HB2 GLN 81 HB2 GLN 81 2.297 3.644 6.629 634 HB3 GLN 81 HB1 GLN 81 1.902 2.320 5.547 635 HG2 GLN 81 HG2 GLN 81 2.909 3.650 3.694 636 HG3 GLN 81 HG1 GLN 81 3.445 4.820 4.896 637 HE21 GLN 81 HE21 GLN 81 3.822 1.683 3.631 638 HE22 GLN 81 HE22 GLN 81 5.335 1.305 4.413 639 H ALA 82 H ALA 82 1.227 5.827 3.486 640 HA ALA 82 HA ALA 82 1.761 7.967 5.300 641 HB1 ALA 82 HB1 ALA 82 2.166 9.308 3.299 642 HB2 ALA 82 HB2 ALA 82 1.497 8.023 2.295 643 HB3 ALA 82 HB3 ALA 82 2.991 7.753 3.191 644 H GLN 83 H GLN 83 -0.920 7.086 3.181 645 HA GLN 83 HA GLN 83 -2.265 9.545 3.633 646 HB2 GLN 83 HB2 GLN 83 -4.186 8.567 2.509 647 HB3 GLN 83 HB1 GLN 83 -2.723 8.222 1.606 648 HG2 GLN 83 HG2 GLN 83 -2.707 5.950 2.563 649 HG3 GLN 83 HG1 GLN 83 -4.217 6.312 3.394 650 HE21 GLN 83 HE21 GLN 83 -5.277 4.659 2.290 651 HE22 GLN 83 HE22 GLN 83 -5.728 4.830 0.638 652 H LYS 84 H LYS 84 -2.231 6.422 5.210 653 HA LYS 84 HA LYS 84 -4.569 6.970 6.719 654 HB2 LYS 84 HB2 LYS 84 -4.087 4.937 7.993 655 HB3 LYS 84 HB1 LYS 84 -3.859 4.636 6.284 656 HG2 LYS 84 HG2 LYS 84 -2.071 3.505 7.241 657 HG3 LYS 84 HG1 LYS 84 -1.372 5.058 6.785 658 HD2 LYS 84 HD2 LYS 84 -0.517 4.669 8.917 659 HD3 LYS 84 HD1 LYS 84 -1.843 5.807 9.127 660 HE2 LYS 84 HE2 LYS 84 -2.146 2.839 9.551 661 HE3 LYS 84 HE1 LYS 84 -1.683 3.939 10.841 662 HZ1 LYS 84 HZ1 LYS 84 -4.280 3.921 9.362 663 HZ2 LYS 84 HZ2 LYS 84 -3.840 5.095 10.504 664 HZ3 LYS 84 HZ3 LYS 84 -4.004 3.515 10.960 665 H GLN 85 H GLN 85 -1.155 7.510 7.230 666 HA GLN 85 HA GLN 85 -1.432 8.079 9.976 667 HB2 GLN 85 HB2 GLN 85 0.903 8.750 9.941 668 HB3 GLN 85 HB1 GLN 85 0.643 7.401 8.826 669 HG2 GLN 85 HG2 GLN 85 0.903 8.685 6.959 670 HG3 GLN 85 HG1 GLN 85 0.713 10.191 7.844 671 HE21 GLN 85 HE21 GLN 85 2.666 7.634 9.156 672 HE22 GLN 85 HE22 GLN 85 4.174 8.419 8.883 673 H LEU 86 H LEU 86 -1.518 10.090 7.106 674 HA LEU 86 HA LEU 86 -1.745 12.436 8.693 675 HB2 LEU 86 HB2 LEU 86 -1.606 11.870 5.820 676 HB3 LEU 86 HB1 LEU 86 -2.588 13.265 6.191 677 HG LEU 86 HG LEU 86 -0.309 13.902 5.676 678 HD11 LEU 86 HD11 LEU 86 -1.642 15.223 7.262 679 HD12 LEU 86 HD12 LEU 86 0.088 15.328 7.570 680 HD13 LEU 86 HD13 LEU 86 -0.932 14.313 8.594 681 HD21 LEU 86 HD21 LEU 86 0.877 11.919 6.436 682 HD22 LEU 86 HD22 LEU 86 0.430 12.286 8.105 683 HD23 LEU 86 HD23 LEU 86 1.513 13.364 7.230 684 H GLN 87 H GLN 87 -4.007 10.247 7.240 685 HA GLN 87 HA GLN 87 -6.323 11.836 7.490 686 HB2 GLN 87 HB2 GLN 87 -6.147 9.754 6.131 687 HB3 GLN 87 HB1 GLN 87 -6.107 8.827 7.622 688 HG2 GLN 87 HG2 GLN 87 -8.327 9.573 8.186 689 HG3 GLN 87 HG1 GLN 87 -8.382 10.588 6.746 690 HE21 GLN 87 HE21 GLN 87 -7.025 7.345 6.864 691 HE22 GLN 87 HE22 GLN 87 -8.215 6.624 5.855 692 H GLN 88 H GLN 88 -4.680 9.662 9.698 693 HA GLN 88 HA GLN 88 -6.681 10.108 11.776 694 HB2 GLN 88 HB2 GLN 88 -5.375 8.559 13.120 695 HB3 GLN 88 HB1 GLN 88 -5.754 7.886 11.535 696 HG2 GLN 88 HG2 GLN 88 -3.509 8.357 10.774 697 HG3 GLN 88 HG1 GLN 88 -3.114 9.094 12.322 698 HE21 GLN 88 HE21 GLN 88 -4.553 7.085 13.866 699 HE22 GLN 88 HE22 GLN 88 -3.604 5.656 13.785 700 H GLY 89 H GLY 89 -4.268 11.752 10.602 701 HA2 GLY 89 HA2 GLY 89 -3.238 12.745 13.149 702 HA3 GLY 89 HA1 GLY 89 -2.548 13.076 11.564 703 H GLN 90 H GLN 90 -3.236 14.791 10.423 704 HA GLN 90 HA GLN 90 -5.104 16.597 11.849 705 HB2 GLN 90 HB2 GLN 90 -2.707 17.320 10.177 706 HB3 GLN 90 HB1 GLN 90 -3.780 18.446 10.995 707 HG2 GLN 90 HG2 GLN 90 -3.110 17.493 13.154 708 HG3 GLN 90 HG1 GLN 90 -2.056 16.373 12.299 709 HE21 GLN 90 HE21 GLN 90 -0.129 17.108 11.451 710 HE22 GLN 90 HE22 GLN 90 0.535 18.658 11.830 711 H GLY 91 H GLY 91 -4.757 14.823 9.121 712 HA2 GLY 91 HA2 GLY 91 -6.522 14.981 7.349 713 HA3 GLY 91 HA1 GLY 91 -6.255 16.733 7.447 714 H GLY 92 H GLY 92 -4.760 17.602 6.182 715 HA2 GLY 92 HA2 GLY 92 -2.845 17.842 5.105 716 HA3 GLY 92 HA1 GLY 92 -2.259 16.341 5.784 717 H GLN 93 H GLN 93 -4.436 14.810 4.533 718 HA GLN 93 HA GLN 93 -3.185 13.847 2.311 719 HB2 GLN 93 HB2 GLN 93 -6.132 13.920 2.865 720 HB3 GLN 93 HB1 GLN 93 -5.412 12.937 1.588 721 HG2 GLN 93 HG2 GLN 93 -4.137 11.774 3.395 722 HG3 GLN 93 HG1 GLN 93 -5.070 12.709 4.568 723 HE21 GLN 93 HE21 GLN 93 -5.034 9.844 4.188 724 HE22 GLN 93 HE22 GLN 93 -6.640 9.378 3.771 725 H GLN 94 H GLN 94 -5.357 16.559 2.394 726 HA GLN 94 HA GLN 94 -5.670 16.835 -0.429 727 HB2 GLN 94 HB2 GLN 94 -6.644 19.014 0.082 728 HB3 GLN 94 HB1 GLN 94 -7.275 17.774 1.159 729 HG2 GLN 94 HG2 GLN 94 -5.775 18.503 2.904 730 HG3 GLN 94 HG1 GLN 94 -5.097 19.715 1.834 731 HE21 GLN 94 HE21 GLN 94 -8.524 18.922 2.015 732 HE22 GLN 94 HE22 GLN 94 -9.018 20.405 2.719 733 H GLN 95 H GLN 95 -3.468 18.282 1.921 734 HA GLN 95 HA GLN 95 -2.290 20.009 -0.057 735 HB2 GLN 95 HB2 GLN 95 -0.865 20.813 1.830 736 HB3 GLN 95 HB1 GLN 95 -2.591 20.874 2.231 737 HG2 GLN 95 HG2 GLN 95 -2.289 18.789 3.444 738 HG3 GLN 95 HG1 GLN 95 -0.557 18.891 3.168 739 HE21 GLN 95 HE21 GLN 95 0.632 20.524 4.227 740 HE22 GLN 95 HE22 GLN 95 0.000 21.360 5.584 741 H VAL 96 H VAL 96 -1.393 17.318 1.928 742 HA VAL 96 HA VAL 96 1.201 16.816 1.039 743 HB VAL 96 HB VAL 96 -0.854 14.882 2.198 744 HG11 VAL 96 HG11 VAL 96 2.076 14.497 1.786 745 HG12 VAL 96 HG12 VAL 96 0.748 13.547 1.103 746 HG13 VAL 96 HG13 VAL 96 1.060 13.511 2.844 747 HG21 VAL 96 HG21 VAL 96 1.429 16.334 3.527 748 HG22 VAL 96 HG22 VAL 96 0.295 15.205 4.292 749 HG23 VAL 96 HG23 VAL 96 -0.284 16.740 3.662 750 H GLN 97 H GLN 97 -1.820 16.252 -0.452 751 HA GLN 97 HA GLN 97 -1.532 14.103 -2.108 752 HB2 GLN 97 HB2 GLN 97 -3.543 15.475 -2.074 753 HB3 GLN 97 HB1 GLN 97 -2.674 16.773 -2.883 754 HG2 GLN 97 HG2 GLN 97 -2.343 15.353 -4.830 755 HG3 GLN 97 HG1 GLN 97 -3.224 14.050 -4.052 756 HE21 GLN 97 HE21 GLN 97 -5.215 15.919 -2.898 757 HE22 GLN 97 HE22 GLN 97 -6.189 16.431 -4.218 758 H GLN 98 H GLN 98 -0.171 17.338 -2.729 759 HA GLN 98 HA GLN 98 0.748 16.692 -5.335 760 HB2 GLN 98 HB2 GLN 98 1.941 18.774 -5.334 761 HB3 GLN 98 HB1 GLN 98 0.369 19.020 -4.594 762 HG2 GLN 98 HG2 GLN 98 1.349 18.977 -2.416 763 HG3 GLN 98 HG1 GLN 98 2.946 18.665 -3.096 764 HE21 GLN 98 HE21 GLN 98 0.522 21.023 -2.518 765 HE22 GLN 98 HE22 GLN 98 1.409 22.383 -3.081 766 H MET 99 H MET 99 1.978 15.905 -2.277 767 HA MET 99 HA MET 99 4.698 15.553 -3.321 768 HB2 MET 99 HB2 MET 99 3.917 16.678 -0.985 769 HB3 MET 99 HB1 MET 99 3.949 15.002 -0.535 770 HG2 MET 99 HG2 MET 99 6.018 15.957 0.080 771 HG3 MET 99 HG1 MET 99 6.213 14.732 -1.174 772 HE1 MET 99 HE1 MET 99 9.110 17.293 -1.775 773 HE2 MET 99 HE2 MET 99 8.703 15.614 -1.421 774 HE3 MET 99 HE3 MET 99 8.397 16.869 -0.220 775 H VAL 100 H VAL 100 2.176 13.925 -1.512 776 HA VAL 100 HA VAL 100 3.427 11.405 -1.606 777 HB VAL 100 HB VAL 100 1.633 11.892 0.021 778 HG11 VAL 100 HG11 VAL 100 -0.721 11.793 -0.633 779 HG12 VAL 100 HG12 VAL 100 -0.222 11.738 -2.333 780 HG13 VAL 100 HG13 VAL 100 0.151 13.155 -1.344 781 HG21 VAL 100 HG21 VAL 100 2.177 9.584 -0.406 782 HG22 VAL 100 HG22 VAL 100 1.056 9.563 -1.769 783 HG23 VAL 100 HG23 VAL 100 0.433 9.740 -0.121 784 H LYS 101 H LYS 101 1.533 13.068 -4.001 785 HA LYS 101 HA LYS 101 0.984 10.832 -5.580 786 HB2 LYS 101 HB2 LYS 101 0.507 12.367 -7.382 787 HB3 LYS 101 HB1 LYS 101 -0.102 12.992 -5.847 788 HG2 LYS 101 HG2 LYS 101 0.726 14.894 -6.755 789 HG3 LYS 101 HG1 LYS 101 2.124 14.308 -5.856 790 HD2 LYS 101 HD2 LYS 101 3.107 13.409 -7.877 791 HD3 LYS 101 HD1 LYS 101 1.661 13.817 -8.805 792 HE2 LYS 101 HE2 LYS 101 2.055 16.202 -8.270 793 HE3 LYS 101 HE1 LYS 101 3.560 15.746 -7.477 794 HZ1 LYS 101 HZ1 LYS 101 2.901 15.327 -10.338 795 HZ2 LYS 101 HZ2 LYS 101 4.344 14.860 -9.596 796 HZ3 LYS 101 HZ3 LYS 101 3.956 16.485 -9.723 797 H LYS 102 H LYS 102 3.921 12.469 -5.012 798 HA LYS 102 HA LYS 102 5.331 11.703 -7.333 799 HB2 LYS 102 HB2 LYS 102 6.242 12.284 -4.527 800 HB3 LYS 102 HB1 LYS 102 7.313 12.109 -5.909 801 HG2 LYS 102 HG2 LYS 102 6.515 14.097 -6.912 802 HG3 LYS 102 HG1 LYS 102 5.089 14.131 -5.879 803 HD2 LYS 102 HD2 LYS 102 6.723 15.819 -5.200 804 HD3 LYS 102 HD1 LYS 102 6.476 14.610 -3.945 805 HE2 LYS 102 HE2 LYS 102 8.763 15.088 -4.078 806 HE3 LYS 102 HE1 LYS 102 8.524 13.470 -4.701 807 HZ1 LYS 102 HZ1 LYS 102 8.924 15.909 -6.375 808 HZ2 LYS 102 HZ2 LYS 102 8.643 14.364 -6.974 809 HZ3 LYS 102 HZ3 LYS 102 10.041 14.679 -6.134 810 H ALA 103 H ALA 103 4.445 10.111 -4.375 811 HA ALA 103 HA ALA 103 6.156 7.875 -4.507 812 HB1 ALA 103 HB1 ALA 103 4.814 8.339 -2.507 813 HB2 ALA 103 HB2 ALA 103 4.523 6.701 -3.091 814 HB3 ALA 103 HB3 ALA 103 3.342 7.972 -3.406 815 H GLN 104 H GLN 104 3.231 8.699 -6.141 816 HA GLN 104 HA GLN 104 2.709 6.087 -7.165 817 HB2 GLN 104 HB2 GLN 104 1.590 8.762 -8.024 818 HB3 GLN 104 HB1 GLN 104 0.964 7.195 -8.516 819 HG2 GLN 104 HG2 GLN 104 0.489 6.693 -6.123 820 HG3 GLN 104 HG1 GLN 104 1.006 8.324 -5.724 821 HE21 GLN 104 HE21 GLN 104 -0.296 10.051 -6.323 822 HE22 GLN 104 HE22 GLN 104 -1.943 9.874 -6.752 823 H MET 105 H MET 105 4.865 8.520 -7.964 824 HA MET 105 HA MET 105 5.079 7.860 -10.809 825 HB2 MET 105 HB2 MET 105 6.888 9.538 -9.157 826 HB3 MET 105 HB1 MET 105 6.751 9.537 -10.896 827 HG2 MET 105 HG2 MET 105 4.478 10.399 -10.751 828 HG3 MET 105 HG1 MET 105 4.609 10.468 -9.010 829 HE1 MET 105 HE1 MET 105 7.229 13.092 -11.786 830 HE2 MET 105 HE2 MET 105 6.075 11.893 -12.375 831 HE3 MET 105 HE3 MET 105 7.532 11.377 -11.526 832 H LEU 106 H LEU 106 6.315 6.936 -7.816 833 HA LEU 106 HA LEU 106 8.991 6.417 -8.253 834 HB2 LEU 106 HB2 LEU 106 7.066 4.906 -6.528 835 HB3 LEU 106 HB1 LEU 106 8.789 4.644 -6.495 836 HG LEU 106 HG LEU 106 7.351 7.191 -5.796 837 HD11 LEU 106 HD11 LEU 106 8.066 6.686 -3.486 838 HD12 LEU 106 HD12 LEU 106 8.720 5.147 -4.044 839 HD13 LEU 106 HD13 LEU 106 6.986 5.455 -4.136 840 HD21 LEU 106 HD21 LEU 106 9.540 7.693 -6.668 841 HD22 LEU 106 HD22 LEU 106 10.275 6.499 -5.598 842 HD23 LEU 106 HD23 LEU 106 9.530 7.949 -4.924 843 HA PRO 107 HA PRO 107 8.004 1.950 -9.833 844 HB2 PRO 107 HB2 PRO 107 5.584 1.717 -11.135 845 HB3 PRO 107 HB1 PRO 107 5.901 1.146 -9.495 846 HG2 PRO 107 HG2 PRO 107 4.614 3.673 -10.406 847 HG3 PRO 107 HG1 PRO 107 4.176 2.615 -9.049 848 HD2 PRO 107 HD2 PRO 107 5.485 4.915 -8.670 849 HD3 PRO 107 HD1 PRO 107 5.847 3.507 -7.684 850 H ASN 108 H ASN 108 6.980 4.955 -11.414 851 HA ASN 108 HA ASN 108 7.471 3.877 -13.996 852 HB2 ASN 108 HB2 ASN 108 6.811 6.619 -12.950 853 HB3 ASN 108 HB1 ASN 108 6.982 6.204 -14.642 854 HD21 ASN 108 HD21 ASN 108 4.702 7.275 -13.277 855 HD22 ASN 108 HD22 ASN 108 3.390 6.182 -13.498 856 H GLN 109 H GLN 109 8.924 6.028 -11.638 857 HA GLN 109 HA GLN 109 11.076 6.787 -13.387 858 HB2 GLN 109 HB2 GLN 109 10.718 7.301 -10.436 859 HB3 GLN 109 HB1 GLN 109 11.926 8.059 -11.465 860 HG2 GLN 109 HG2 GLN 109 8.933 8.368 -11.655 861 HG3 GLN 109 HG1 GLN 109 10.090 9.578 -11.102 862 HE21 GLN 109 HE21 GLN 109 11.391 10.595 -12.614 863 HE22 GLN 109 HE22 GLN 109 11.041 10.596 -14.298 864 H CYS 110 H CYS 110 10.700 4.559 -10.695 865 HA CYS 110 HA CYS 110 13.535 3.925 -10.592 866 HB2 CYS 110 HB2 CYS 110 11.901 3.963 -8.601 867 HB3 CYS 110 HB1 CYS 110 11.224 2.522 -9.266 868 H ASN 111 H ASN 111 11.053 3.158 -12.569 869 HA ASN 111 HA ASN 111 10.447 1.573 -13.982 870 HB2 ASN 111 HB2 ASN 111 12.638 2.094 -15.011 871 HB3 ASN 111 HB1 ASN 111 13.384 0.854 -14.004 872 HD21 ASN 111 HD21 ASN 111 11.156 1.415 -16.631 873 HD22 ASN 111 HD22 ASN 111 11.222 -0.179 -17.287 874 H LEU 112 H LEU 112 9.459 0.886 -12.111 875 HA LEU 112 HA LEU 112 10.225 -1.770 -11.171 876 HB2 LEU 112 HB2 LEU 112 7.841 -0.109 -10.354 877 HB3 LEU 112 HB1 LEU 112 8.462 -1.534 -9.539 878 HG LEU 112 HG LEU 112 9.808 1.143 -9.747 879 HD11 LEU 112 HD11 LEU 112 8.772 -0.369 -7.364 880 HD12 LEU 112 HD12 LEU 112 8.090 1.117 -8.033 881 HD13 LEU 112 HD13 LEU 112 9.692 1.122 -7.303 882 HD21 LEU 112 HD21 LEU 112 11.444 -0.566 -9.992 883 HD22 LEU 112 HD22 LEU 112 10.827 -1.416 -8.579 884 HD23 LEU 112 HD23 LEU 112 11.591 0.174 -8.403 885 H GLN 113 H GLN 113 8.574 -3.490 -11.153 886 HA GLN 113 HA GLN 113 7.636 -3.844 -13.845 887 HB2 GLN 113 HB2 GLN 113 7.058 -5.724 -11.571 888 HB3 GLN 113 HB1 GLN 113 7.274 -6.111 -13.270 889 HG2 GLN 113 HG2 GLN 113 9.381 -5.233 -11.332 890 HG3 GLN 113 HG1 GLN 113 9.162 -6.865 -11.950 891 HE21 GLN 113 HE21 GLN 113 8.691 -5.904 -14.714 892 HE22 GLN 113 HE22 GLN 113 10.227 -5.386 -15.286 893 H CYS 114 H CYS 114 6.287 -1.805 -12.615 894 HA CYS 114 HA CYS 114 3.526 -2.537 -12.863 895 HB2 CYS 114 HB2 CYS 114 4.909 -1.587 -10.455 896 HB3 CYS 114 HB1 CYS 114 3.160 -1.249 -10.599 897 H SER 115 H SER 115 2.369 -0.531 -13.328 898 HA SER 115 HA SER 115 4.075 1.823 -13.612 899 HB2 SER 115 HB2 SER 115 3.057 2.139 -15.898 900 HB3 SER 115 HB1 SER 115 4.184 0.786 -15.760 901 HG SER 115 HG SER 115 1.417 0.447 -15.377 902 H ILE 116 H ILE 116 3.037 3.666 -13.029 903 HA ILE 116 HA ILE 116 0.137 3.476 -12.616 904 HB ILE 116 HB ILE 116 2.037 5.418 -11.278 905 HG12 ILE 116 HG12 ILE 116 2.579 3.111 -10.579 906 HG13 ILE 116 HG11 ILE 116 1.962 4.082 -9.255 907 HG21 ILE 116 HG21 ILE 116 0.153 5.752 -9.705 908 HG22 ILE 116 HG22 ILE 116 -0.827 4.676 -10.700 909 HG23 ILE 116 HG23 ILE 116 -0.239 6.198 -11.366 910 HD11 ILE 116 HD11 ILE 116 -0.202 2.948 -9.501 911 HD12 ILE 116 HD12 ILE 116 1.140 1.849 -9.162 912 HD13 ILE 116 HD13 ILE 116 0.489 1.964 -10.804 Start of MODEL 8 1 H1 GLY 1 H GLY 1 -0.735 -14.460 -4.619 2 H2 GLY 1 HT1 GLY 1 -1.023 -13.561 -3.351 3 H3 GLY 1 HT2 GLY 1 -2.275 -14.008 -4.397 4 HA2 GLY 1 HA1 GLY 1 -2.374 -15.175 -2.220 5 HA3 GLY 1 HA2 GLY 1 -2.172 -16.273 -3.580 6 H ARG 2 H ARG 2 -1.459 -16.720 -0.860 7 HA ARG 2 HA ARG 2 1.479 -16.681 -0.941 8 HB2 ARG 2 HB2 ARG 2 -0.439 -17.434 1.254 9 HB3 ARG 2 HB1 ARG 2 1.309 -17.561 1.369 10 HG2 ARG 2 HG2 ARG 2 -0.182 -15.038 0.838 11 HG3 ARG 2 HG1 ARG 2 0.373 -15.568 2.441 12 HD2 ARG 2 HD2 ARG 2 2.678 -15.545 1.610 13 HD3 ARG 2 HD1 ARG 2 2.105 -14.994 0.034 14 HE ARG 2 HE ARG 2 1.238 -13.008 1.224 15 HH11 ARG 2 HH11 ARG 2 4.028 -14.774 2.552 16 HH12 ARG 2 HH12 ARG 2 4.532 -13.463 3.494 17 HH21 ARG 2 HH21 ARG 2 1.977 -11.275 2.443 18 HH22 ARG 2 HH22 ARG 2 3.382 -11.431 3.430 19 H CYS 3 H CYS 3 2.519 -18.352 -1.468 20 HA CYS 3 HA CYS 3 1.049 -20.882 -1.503 21 HB2 CYS 3 HB2 CYS 3 3.240 -20.061 -3.376 22 HB3 CYS 3 HB1 CYS 3 2.313 -21.545 -3.430 23 H THR 4 H THR 4 2.004 -22.622 -0.771 24 HA THR 4 HA THR 4 4.050 -22.322 1.173 25 HB THR 4 HB THR 4 3.820 -24.786 1.413 26 HG1 THR 4 HG1 THR 4 2.588 -25.921 0.076 27 HG21 THR 4 HG21 THR 4 1.196 -23.305 1.196 28 HG22 THR 4 HG22 THR 4 2.240 -23.355 2.621 29 HG23 THR 4 HG23 THR 4 1.437 -24.823 2.050 30 H LYS 5 H LYS 5 6.172 -23.235 1.113 31 HA LYS 5 HA LYS 5 7.332 -23.359 -1.491 32 HB2 LYS 5 HB2 LYS 5 8.575 -23.893 1.212 33 HB3 LYS 5 HB1 LYS 5 9.448 -23.756 -0.303 34 HG2 LYS 5 HG2 LYS 5 7.901 -21.574 1.081 35 HG3 LYS 5 HG1 LYS 5 9.654 -21.728 0.975 36 HD2 LYS 5 HD2 LYS 5 9.435 -21.588 -1.496 37 HD3 LYS 5 HD1 LYS 5 7.722 -21.246 -1.279 38 HE2 LYS 5 HE2 LYS 5 8.287 -19.295 0.099 39 HE3 LYS 5 HE1 LYS 5 9.995 -19.605 -0.180 40 HZ1 LYS 5 HZ1 LYS 5 9.622 -19.266 -2.547 41 HZ2 LYS 5 HZ2 LYS 5 9.198 -17.919 -1.659 42 HZ3 LYS 5 HZ3 LYS 5 7.992 -18.932 -2.264 43 H SER 6 H SER 6 5.903 -25.133 -2.086 44 HA SER 6 HA SER 6 7.385 -27.599 -1.866 45 HB2 SER 6 HB2 SER 6 5.604 -27.626 -0.089 46 HB3 SER 6 HB1 SER 6 4.395 -27.486 -1.369 47 HG SER 6 HG SER 6 4.537 -29.591 -1.104 48 H ILE 7 H ILE 7 6.578 -29.092 -3.549 49 HA ILE 7 HA ILE 7 5.235 -27.716 -5.762 50 HB ILE 7 HB ILE 7 7.669 -29.521 -6.030 51 HG12 ILE 7 HG12 ILE 7 7.390 -26.567 -6.624 52 HG13 ILE 7 HG11 ILE 7 8.117 -27.215 -5.162 53 HG21 ILE 7 HG21 ILE 7 7.562 -28.952 -8.426 54 HG22 ILE 7 HG22 ILE 7 6.082 -28.038 -8.142 55 HG23 ILE 7 HG23 ILE 7 6.098 -29.784 -7.899 56 HD11 ILE 7 HD11 ILE 7 9.837 -28.280 -6.501 57 HD12 ILE 7 HD12 ILE 7 9.782 -26.535 -6.773 58 HD13 ILE 7 HD13 ILE 7 9.084 -27.644 -7.962 59 HA PRO 8 HA PRO 8 3.725 -27.912 -7.046 60 HB2 PRO 8 HB2 PRO 8 0.943 -28.679 -6.635 61 HB3 PRO 8 HB1 PRO 8 1.826 -28.476 -8.148 62 HG2 PRO 8 HG2 PRO 8 0.981 -30.903 -7.247 63 HG3 PRO 8 HG1 PRO 8 2.419 -30.688 -8.260 64 HD2 PRO 8 HD2 PRO 8 2.231 -31.053 -5.291 65 HD3 PRO 8 HD1 PRO 8 3.370 -31.783 -6.445 66 HA PRO 9 HA PRO 9 3.173 -25.753 -3.241 67 HB2 PRO 9 HB2 PRO 9 2.398 -23.344 -4.206 68 HB3 PRO 9 HB1 PRO 9 4.071 -23.917 -4.271 69 HG2 PRO 9 HG2 PRO 9 1.960 -23.945 -6.388 70 HG3 PRO 9 HG1 PRO 9 3.675 -23.508 -6.532 71 HD2 PRO 9 HD2 PRO 9 2.747 -25.910 -7.301 72 HD3 PRO 9 HD1 PRO 9 4.358 -25.722 -6.574 73 H ILE 10 H ILE 10 1.635 -25.030 -1.833 74 HA ILE 10 HA ILE 10 -1.148 -25.373 -2.661 75 HB ILE 10 HB ILE 10 -0.005 -25.090 0.143 76 HG12 ILE 10 HG12 ILE 10 0.968 -27.078 -0.906 77 HG13 ILE 10 HG11 ILE 10 -0.155 -27.535 0.370 78 HG21 ILE 10 HG21 ILE 10 -2.378 -24.591 -0.045 79 HG22 ILE 10 HG22 ILE 10 -2.138 -26.095 0.844 80 HG23 ILE 10 HG23 ILE 10 -2.661 -26.140 -0.840 81 HD11 ILE 10 HD11 ILE 10 -1.845 -28.051 -1.309 82 HD12 ILE 10 HD12 ILE 10 -0.358 -28.969 -1.601 83 HD13 ILE 10 HD13 ILE 10 -0.728 -27.547 -2.575 84 H CYS 11 H CYS 11 -2.154 -23.477 -3.059 85 HA CYS 11 HA CYS 11 -0.901 -21.106 -1.935 86 HB2 CYS 11 HB2 CYS 11 -2.611 -21.330 -4.404 87 HB3 CYS 11 HB1 CYS 11 -1.913 -19.842 -3.774 88 H PHE 12 H PHE 12 -1.874 -19.835 -0.708 89 HA PHE 12 HA PHE 12 -4.665 -20.339 -0.017 90 HB2 PHE 12 HB2 PHE 12 -2.321 -19.423 1.624 91 HB3 PHE 12 HB1 PHE 12 -3.985 -19.299 2.184 92 HD1 PHE 12 HD1 PHE 12 -1.132 -21.425 1.887 93 HD2 PHE 12 HD2 PHE 12 -5.353 -21.354 2.240 94 HE1 PHE 12 HE1 PHE 12 -1.104 -23.765 2.646 95 HE2 PHE 12 HE2 PHE 12 -5.370 -23.627 2.983 96 HZ PHE 12 HZ PHE 12 -3.228 -24.891 3.207 97 HA PRO 13 HA PRO 13 -5.666 -16.181 -1.168 98 HB2 PRO 13 HB2 PRO 13 -7.065 -15.973 1.453 99 HB3 PRO 13 HB1 PRO 13 -7.711 -15.725 -0.169 100 HG2 PRO 13 HG2 PRO 13 -8.293 -17.922 1.270 101 HG3 PRO 13 HG1 PRO 13 -8.129 -17.970 -0.490 102 HD2 PRO 13 HD2 PRO 13 -6.266 -18.983 1.602 103 HD3 PRO 13 HD1 PRO 13 -6.552 -19.552 -0.037 104 H ASP 14 H ASP 14 -4.950 -16.713 2.256 105 HA ASP 14 HA ASP 14 -2.875 -14.729 2.193 106 HB2 ASP 14 HB2 ASP 14 -4.775 -13.362 2.880 107 HB3 ASP 14 HB1 ASP 14 -5.247 -14.557 4.076 108 H GLY 15 H GLY 15 -1.639 -14.855 4.152 109 HA2 GLY 15 HA2 GLY 15 -1.792 -17.504 5.385 110 HA3 GLY 15 HA1 GLY 15 -0.275 -16.942 4.691 111 H LEU 16 H LEU 16 -1.406 -14.132 5.778 112 HA LEU 16 HA LEU 16 -1.256 -14.336 8.542 113 HB2 LEU 16 HB2 LEU 16 0.913 -13.431 9.104 114 HB3 LEU 16 HB1 LEU 16 1.113 -14.935 8.241 115 HG LEU 16 HG LEU 16 1.520 -12.194 7.009 116 HD11 LEU 16 HD11 LEU 16 3.115 -12.566 8.794 117 HD12 LEU 16 HD12 LEU 16 3.914 -12.668 7.222 118 HD13 LEU 16 HD13 LEU 16 3.528 -14.139 8.115 119 HD21 LEU 16 HD21 LEU 16 2.358 -14.934 6.065 120 HD22 LEU 16 HD22 LEU 16 2.676 -13.405 5.237 121 HD23 LEU 16 HD23 LEU 16 1.018 -13.996 5.410 122 H ASP 17 H ASP 17 -0.397 -12.323 5.868 123 HA ASP 17 HA ASP 17 -2.152 -10.236 6.561 124 HB2 ASP 17 HB2 ASP 17 -0.594 -9.746 8.364 125 HB3 ASP 17 HB1 ASP 17 0.768 -9.787 7.262 126 H ASN 18 H ASN 18 -2.710 -10.163 4.484 127 HA ASN 18 HA ASN 18 -0.645 -9.321 2.567 128 HB2 ASN 18 HB2 ASN 18 -3.141 -10.945 2.060 129 HB3 ASN 18 HB1 ASN 18 -2.278 -10.129 0.767 130 HD21 ASN 18 HD21 ASN 18 -2.805 -12.911 1.038 131 HD22 ASN 18 HD22 ASN 18 -1.287 -13.709 1.131 132 HA PRO 19 HA PRO 19 -3.558 -5.825 2.789 133 HB2 PRO 19 HB2 PRO 19 -1.313 -4.026 2.860 134 HB3 PRO 19 HB1 PRO 19 -2.440 -4.380 4.164 135 HG2 PRO 19 HG2 PRO 19 0.237 -5.081 4.159 136 HG3 PRO 19 HG1 PRO 19 -1.006 -5.838 5.165 137 HD2 PRO 19 HD2 PRO 19 0.227 -6.797 2.625 138 HD3 PRO 19 HD1 PRO 19 -0.309 -7.720 4.046 139 H ARG 20 H ARG 20 -0.971 -6.736 0.917 140 HA ARG 20 HA ARG 20 -2.049 -5.502 -1.503 141 HB2 ARG 20 HB2 ARG 20 0.959 -5.501 -0.935 142 HB3 ARG 20 HB1 ARG 20 0.187 -4.925 -2.396 143 HG2 ARG 20 HG2 ARG 20 0.762 -2.973 -1.267 144 HG3 ARG 20 HG1 ARG 20 -0.940 -3.188 -0.849 145 HD2 ARG 20 HD2 ARG 20 -0.075 -4.466 1.168 146 HD3 ARG 20 HD1 ARG 20 1.485 -3.749 0.822 147 HE ARG 20 HE ARG 20 -0.602 -1.797 0.917 148 HH11 ARG 20 HH11 ARG 20 1.804 -3.479 2.948 149 HH12 ARG 20 HH12 ARG 20 1.489 -2.546 4.332 150 HH21 ARG 20 HH21 ARG 20 -1.008 -0.548 2.804 151 HH22 ARG 20 HH22 ARG 20 -0.130 -0.767 4.245 152 H GLY 21 H GLY 21 0.378 -7.572 -0.027 153 HA2 GLY 21 HA2 GLY 21 -0.337 -10.031 -0.533 154 HA3 GLY 21 HA1 GLY 21 0.174 -9.482 -2.158 155 H CYS 22 H CYS 22 2.222 -8.369 -2.179 156 HA CYS 22 HA CYS 22 4.276 -9.841 -0.984 157 HB2 CYS 22 HB2 CYS 22 4.101 -7.309 -2.523 158 HB3 CYS 22 HB1 CYS 22 5.600 -7.672 -1.691 159 H GLN 23 H GLN 23 5.353 -9.514 0.876 160 HA GLN 23 HA GLN 23 4.294 -7.372 2.508 161 HB2 GLN 23 HB2 GLN 23 5.234 -8.573 4.449 162 HB3 GLN 23 HB1 GLN 23 3.978 -9.439 3.550 163 HG2 GLN 23 HG2 GLN 23 5.622 -10.816 2.515 164 HG3 GLN 23 HG1 GLN 23 6.931 -9.938 3.291 165 HE21 GLN 23 HE21 GLN 23 7.328 -10.247 5.468 166 HE22 GLN 23 HE22 GLN 23 6.648 -11.551 6.375 167 H ILE 24 H ILE 24 5.349 -5.762 1.878 168 HA ILE 24 HA ILE 24 8.254 -5.793 2.012 169 HB ILE 24 HB ILE 24 6.497 -3.414 1.237 170 HG12 ILE 24 HG12 ILE 24 7.316 -3.970 -1.153 171 HG13 ILE 24 HG11 ILE 24 7.606 -5.590 -0.529 172 HG21 ILE 24 HG21 ILE 24 9.407 -3.988 0.740 173 HG22 ILE 24 HG22 ILE 24 8.749 -2.769 1.844 174 HG23 ILE 24 HG23 ILE 24 8.499 -2.632 0.091 175 HD11 ILE 24 HD11 ILE 24 5.503 -5.449 -1.677 176 HD12 ILE 24 HD12 ILE 24 4.982 -4.129 -0.629 177 HD13 ILE 24 HD13 ILE 24 5.230 -5.746 0.037 178 H ARG 25 H ARG 25 9.302 -4.643 3.629 179 HA ARG 25 HA ARG 25 7.730 -4.328 5.976 180 HB2 ARG 25 HB2 ARG 25 9.834 -3.853 7.135 181 HB3 ARG 25 HB1 ARG 25 10.015 -5.236 6.083 182 HG2 ARG 25 HG2 ARG 25 11.120 -3.721 4.417 183 HG3 ARG 25 HG1 ARG 25 11.036 -2.454 5.638 184 HD2 ARG 25 HD2 ARG 25 12.331 -3.836 7.177 185 HD3 ARG 25 HD1 ARG 25 12.444 -5.100 5.955 186 HE ARG 25 HE ARG 25 13.771 -2.509 5.963 187 HH11 ARG 25 HH11 ARG 25 13.227 -5.587 4.271 188 HH12 ARG 25 HH12 ARG 25 14.660 -5.508 3.360 189 HH21 ARG 25 HH21 ARG 25 15.773 -2.433 4.697 190 HH22 ARG 25 HH22 ARG 25 16.131 -3.687 3.614 191 H ILE 26 H ILE 26 6.689 -2.618 6.649 192 HA ILE 26 HA ILE 26 6.579 -0.308 5.033 193 HB ILE 26 HB ILE 26 5.068 0.674 6.765 194 HG12 ILE 26 HG12 ILE 26 4.209 -0.987 8.552 195 HG13 ILE 26 HG11 ILE 26 5.684 -1.884 8.268 196 HG21 ILE 26 HG21 ILE 26 4.438 -2.111 5.871 197 HG22 ILE 26 HG22 ILE 26 4.165 -0.616 4.973 198 HG23 ILE 26 HG23 ILE 26 3.252 -0.941 6.452 199 HD11 ILE 26 HD11 ILE 26 5.839 -0.493 10.257 200 HD12 ILE 26 HD12 ILE 26 5.526 0.947 9.286 201 HD13 ILE 26 HD13 ILE 26 6.999 0.017 9.032 202 H GLN 27 H GLN 27 8.704 -1.146 7.421 203 HA GLN 27 HA GLN 27 9.241 1.470 8.431 204 HB2 GLN 27 HB2 GLN 27 11.088 0.404 9.626 205 HB3 GLN 27 HB1 GLN 27 9.580 -0.485 9.811 206 HG2 GLN 27 HG2 GLN 27 10.353 -2.056 8.052 207 HG3 GLN 27 HG1 GLN 27 11.893 -1.211 8.040 208 HE21 GLN 27 HE21 GLN 27 13.326 -1.507 9.726 209 HE22 GLN 27 HE22 GLN 27 13.091 -2.716 10.924 210 H GLN 28 H GLN 28 10.150 -0.293 5.637 211 HA GLN 28 HA GLN 28 12.578 1.258 5.342 212 HB2 GLN 28 HB2 GLN 28 13.097 -0.073 3.425 213 HB3 GLN 28 HB1 GLN 28 12.264 -1.141 4.555 214 HG2 GLN 28 HG2 GLN 28 10.399 -1.324 3.289 215 HG3 GLN 28 HG1 GLN 28 10.675 0.214 2.473 216 HE21 GLN 28 HE21 GLN 28 13.246 -2.130 2.783 217 HE22 GLN 28 HE22 GLN 28 13.240 -2.557 1.107 218 H LEU 29 H LEU 29 9.271 1.239 4.342 219 HA LEU 29 HA LEU 29 9.684 3.325 2.388 220 HB2 LEU 29 HB2 LEU 29 7.122 2.132 3.414 221 HB3 LEU 29 HB1 LEU 29 7.209 3.397 2.216 222 HG LEU 29 HG LEU 29 6.870 1.585 0.924 223 HD11 LEU 29 HD11 LEU 29 8.960 0.979 -0.218 224 HD12 LEU 29 HD12 LEU 29 9.852 1.707 1.130 225 HD13 LEU 29 HD13 LEU 29 8.817 2.709 0.133 226 HD21 LEU 29 HD21 LEU 29 7.865 -0.652 1.306 227 HD22 LEU 29 HD22 LEU 29 6.864 -0.074 2.641 228 HD23 LEU 29 HD23 LEU 29 8.619 -0.011 2.774 229 H ASN 30 H ASN 30 9.464 3.131 5.617 230 HA ASN 30 HA ASN 30 7.870 5.238 6.396 231 HB2 ASN 30 HB2 ASN 30 8.809 3.730 8.029 232 HB3 ASN 30 HB1 ASN 30 10.444 4.222 7.618 233 HD21 ASN 30 HD21 ASN 30 11.278 6.066 8.538 234 HD22 ASN 30 HD22 ASN 30 10.435 6.984 9.733 235 H HIS 31 H HIS 31 11.097 5.273 5.039 236 HA HIS 31 HA HIS 31 11.645 8.032 5.589 237 HB2 HIS 31 HB2 HIS 31 13.338 6.124 4.653 238 HB3 HIS 31 HB1 HIS 31 12.701 6.705 3.144 239 HD1 HIS 31 HD1 HIS 31 15.639 7.281 4.833 240 HD2 HIS 31 HD2 HIS 31 12.693 9.829 3.372 241 HE1 HIS 31 HE1 HIS 31 16.732 9.508 4.525 242 H CYS 32 H CYS 32 10.647 6.277 2.715 243 HA CYS 32 HA CYS 32 10.279 8.278 0.856 244 HB2 CYS 32 HB2 CYS 32 10.133 5.632 0.848 245 HB3 CYS 32 HB1 CYS 32 8.421 5.932 1.068 246 H GLN 33 H GLN 33 7.889 6.721 2.947 247 HA GLN 33 HA GLN 33 5.630 8.118 2.634 248 HB2 GLN 33 HB2 GLN 33 5.690 6.168 3.900 249 HB3 GLN 33 HB1 GLN 33 6.976 6.757 4.918 250 HG2 GLN 33 HG2 GLN 33 5.372 8.483 5.728 251 HG3 GLN 33 HG1 GLN 33 4.108 7.527 4.932 252 HE21 GLN 33 HE21 GLN 33 6.507 7.566 7.470 253 HE22 GLN 33 HE22 GLN 33 5.897 6.197 8.309 254 H MET 34 H MET 34 8.076 8.793 5.207 255 HA MET 34 HA MET 34 6.630 11.074 6.103 256 HB2 MET 34 HB2 MET 34 8.405 11.487 7.650 257 HB3 MET 34 HB1 MET 34 7.978 9.766 7.639 258 HG2 MET 34 HG2 MET 34 9.988 9.335 6.292 259 HG3 MET 34 HG1 MET 34 10.395 11.046 6.375 260 HE1 MET 34 HE1 MET 34 11.120 11.522 10.209 261 HE2 MET 34 HE2 MET 34 9.574 11.760 9.405 262 HE3 MET 34 HE3 MET 34 11.062 12.307 8.631 263 H HIS 35 H HIS 35 9.204 10.666 3.955 264 HA HIS 35 HA HIS 35 10.008 13.423 3.855 265 HB2 HIS 35 HB2 HIS 35 11.293 11.328 3.027 266 HB3 HIS 35 HB1 HIS 35 10.352 11.515 1.556 267 HD1 HIS 35 HD1 HIS 35 10.569 14.679 1.369 268 HD2 HIS 35 HD2 HIS 35 13.695 12.058 2.133 269 HE1 HIS 35 HE1 HIS 35 12.680 15.866 0.616 270 H LEU 36 H LEU 36 7.525 11.567 2.346 271 HA LEU 36 HA LEU 36 6.821 13.676 0.461 272 HB2 LEU 36 HB2 LEU 36 5.473 11.061 1.104 273 HB3 LEU 36 HB1 LEU 36 4.947 12.193 -0.127 274 HG LEU 36 HG LEU 36 7.609 10.794 -0.111 275 HD11 LEU 36 HD11 LEU 36 6.702 9.423 -1.916 276 HD12 LEU 36 HD12 LEU 36 5.132 10.201 -1.721 277 HD13 LEU 36 HD13 LEU 36 5.791 9.203 -0.423 278 HD21 LEU 36 HD21 LEU 36 7.681 12.897 -1.313 279 HD22 LEU 36 HD22 LEU 36 6.239 12.450 -2.224 280 HD23 LEU 36 HD23 LEU 36 7.739 11.551 -2.449 281 H THR 37 H THR 37 5.661 12.453 3.606 282 HA THR 37 HA THR 37 3.334 14.099 3.356 283 HB THR 37 HB THR 37 2.853 13.375 5.680 284 HG1 THR 37 HG1 THR 37 4.459 11.416 6.094 285 HG21 THR 37 HG21 THR 37 3.629 11.192 3.758 286 HG22 THR 37 HG22 THR 37 2.065 12.009 3.825 287 HG23 THR 37 HG23 THR 37 2.582 10.974 5.153 288 H SER 38 H SER 38 6.489 14.541 4.440 289 HA SER 38 HA SER 38 5.762 16.798 6.114 290 HB2 SER 38 HB2 SER 38 7.491 15.259 6.983 291 HB3 SER 38 HB1 SER 38 8.527 15.679 5.620 292 HG SER 38 HG SER 38 8.448 17.887 6.394 293 H PHE 39 H PHE 39 5.755 18.807 5.449 294 HA PHE 39 HA PHE 39 7.269 19.475 3.058 295 HB2 PHE 39 HB2 PHE 39 4.975 20.903 4.444 296 HB3 PHE 39 HB1 PHE 39 5.897 21.595 3.116 297 HD1 PHE 39 HD1 PHE 39 5.815 20.506 0.881 298 HD2 PHE 39 HD2 PHE 39 3.223 19.384 4.063 299 HE1 PHE 39 HE1 PHE 39 4.302 19.440 -0.736 300 HE2 PHE 39 HE2 PHE 39 1.710 18.318 2.459 301 HZ PHE 39 HZ PHE 39 2.250 18.343 0.049 302 H ASP 40 H ASP 40 7.909 21.985 3.412 303 HA ASP 40 HA ASP 40 8.870 22.360 6.093 304 HB2 ASP 40 HB2 ASP 40 10.640 21.200 4.556 305 HB3 ASP 40 HB1 ASP 40 10.737 22.764 3.766 306 H TYR 41 H TYR 41 9.991 24.675 5.939 307 HA TYR 41 HA TYR 41 7.645 26.202 5.094 308 HB2 TYR 41 HB2 TYR 41 8.278 27.810 6.827 309 HB3 TYR 41 HB1 TYR 41 8.168 26.125 7.370 310 HD1 TYR 41 HD1 TYR 41 10.592 28.787 6.533 311 HD2 TYR 41 HD2 TYR 41 9.988 25.029 8.405 312 HE1 TYR 41 HE1 TYR 41 12.843 28.905 7.454 313 HE2 TYR 41 HE2 TYR 41 12.259 25.135 9.344 314 HH TYR 41 HH TYR 41 14.344 26.206 8.948 315 H LYS 42 H LYS 42 11.122 26.169 4.730 316 HA LYS 42 HA LYS 42 10.926 28.716 3.350 317 HB2 LYS 42 HB2 LYS 42 13.261 28.988 3.552 318 HB3 LYS 42 HB1 LYS 42 12.726 28.235 5.045 319 HG2 LYS 42 HG2 LYS 42 14.062 26.792 2.761 320 HG3 LYS 42 HG1 LYS 42 14.874 27.361 4.217 321 HD2 LYS 42 HD2 LYS 42 13.411 25.870 5.534 322 HD3 LYS 42 HD1 LYS 42 12.704 25.286 4.029 323 HE2 LYS 42 HE2 LYS 42 14.845 24.472 3.281 324 HE3 LYS 42 HE1 LYS 42 15.639 25.153 4.699 325 HZ1 LYS 42 HZ1 LYS 42 15.284 22.805 4.988 326 HZ2 LYS 42 HZ2 LYS 42 13.640 22.961 4.690 327 HZ3 LYS 42 HZ3 LYS 42 14.297 23.638 6.074 328 H LEU 43 H LEU 43 10.139 25.949 2.361 329 HA LEU 43 HA LEU 43 11.681 25.383 0.056 330 HB2 LEU 43 HB2 LEU 43 8.742 24.866 0.452 331 HB3 LEU 43 HB1 LEU 43 9.783 24.079 -0.711 332 HG LEU 43 HG LEU 43 9.914 23.816 2.275 333 HD11 LEU 43 HD11 LEU 43 9.276 21.497 1.855 334 HD12 LEU 43 HD12 LEU 43 9.035 21.881 0.141 335 HD13 LEU 43 HD13 LEU 43 8.048 22.661 1.389 336 HD21 LEU 43 HD21 LEU 43 12.143 23.682 1.366 337 HD22 LEU 43 HD22 LEU 43 11.617 22.512 0.150 338 HD23 LEU 43 HD23 LEU 43 11.604 22.080 1.863 339 H ARG 44 H ARG 44 12.094 27.170 -1.118 340 HA ARG 44 HA ARG 44 9.833 28.643 -2.333 341 HB2 ARG 44 HB2 ARG 44 12.758 29.335 -2.519 342 HB3 ARG 44 HB1 ARG 44 11.391 30.378 -2.866 343 HG2 ARG 44 HG2 ARG 44 12.277 29.410 -0.155 344 HG3 ARG 44 HG1 ARG 44 12.455 31.040 -0.797 345 HD2 ARG 44 HD2 ARG 44 10.043 31.314 -0.812 346 HD3 ARG 44 HD1 ARG 44 9.833 29.643 -0.279 347 HE ARG 44 HE ARG 44 11.497 31.178 1.450 348 HH11 ARG 44 HH11 ARG 44 8.119 30.340 0.749 349 HH12 ARG 44 HH12 ARG 44 7.551 30.715 2.296 350 HH21 ARG 44 HH21 ARG 44 10.711 31.676 3.604 351 HH22 ARG 44 HH22 ARG 44 9.060 31.492 3.962 352 H MET 45 H MET 45 12.412 26.460 -2.829 353 HA MET 45 HA MET 45 11.821 26.193 -5.636 354 HB2 MET 45 HB2 MET 45 14.607 26.380 -4.446 355 HB3 MET 45 HB1 MET 45 14.260 25.893 -6.094 356 HG2 MET 45 HG2 MET 45 13.321 28.131 -6.529 357 HG3 MET 45 HG1 MET 45 13.726 28.602 -4.883 358 HE1 MET 45 HE1 MET 45 16.256 28.843 -3.993 359 HE2 MET 45 HE2 MET 45 17.668 28.458 -4.973 360 HE3 MET 45 HE3 MET 45 16.569 27.176 -4.474 361 H ALA 46 H ALA 46 10.688 24.477 -4.945 362 HA ALA 46 HA ALA 46 12.332 22.194 -4.119 363 HB1 ALA 46 HB1 ALA 46 10.999 22.948 -2.223 364 HB2 ALA 46 HB2 ALA 46 10.463 21.353 -2.760 365 HB3 ALA 46 HB3 ALA 46 9.529 22.786 -3.181 366 H VAL 47 H VAL 47 10.998 23.281 -6.680 367 HA VAL 47 HA VAL 47 9.067 21.289 -7.416 368 HB VAL 47 HB VAL 47 10.627 23.072 -9.287 369 HG11 VAL 47 HG11 VAL 47 8.692 22.840 -10.773 370 HG12 VAL 47 HG12 VAL 47 7.909 21.800 -9.588 371 HG13 VAL 47 HG13 VAL 47 9.383 21.262 -10.385 372 HG21 VAL 47 HG21 VAL 47 8.044 23.681 -7.857 373 HG22 VAL 47 HG22 VAL 47 8.759 24.663 -9.138 374 HG23 VAL 47 HG23 VAL 47 9.604 24.467 -7.605 375 H GLU 48 H GLU 48 12.323 21.986 -8.620 376 HA GLU 48 HA GLU 48 12.822 19.118 -9.032 377 HB2 GLU 48 HB2 GLU 48 13.535 21.342 -10.962 378 HB3 GLU 48 HB1 GLU 48 13.986 19.655 -11.131 379 HG2 GLU 48 HG2 GLU 48 11.733 19.016 -11.522 380 HG3 GLU 48 HG1 GLU 48 11.151 20.621 -11.075 381 H ASN 49 H ASN 49 13.993 19.308 -7.057 382 HA ASN 49 HA ASN 49 16.523 20.700 -7.370 383 HB2 ASN 49 HB2 ASN 49 14.639 21.123 -5.027 384 HB3 ASN 49 HB1 ASN 49 16.326 21.624 -5.049 385 HD21 ASN 49 HD21 ASN 49 16.925 23.409 -6.231 386 HD22 ASN 49 HD22 ASN 49 15.780 24.482 -6.942 387 HA PRO 50 HA PRO 50 18.386 16.934 -6.135 388 HB2 PRO 50 HB2 PRO 50 20.161 18.146 -4.248 389 HB3 PRO 50 HB1 PRO 50 20.512 17.639 -5.900 390 HG2 PRO 50 HG2 PRO 50 19.820 20.319 -4.853 391 HG3 PRO 50 HG1 PRO 50 20.772 19.880 -6.279 392 HD2 PRO 50 HD2 PRO 50 18.317 20.885 -6.498 393 HD3 PRO 50 HD1 PRO 50 18.879 19.613 -7.607 394 H LYS 51 H LYS 51 17.874 19.108 -3.342 395 HA LYS 51 HA LYS 51 17.876 16.915 -1.507 396 HB2 LYS 51 HB2 LYS 51 17.027 19.748 -1.076 397 HB3 LYS 51 HB1 LYS 51 17.223 18.463 0.110 398 HG2 LYS 51 HG2 LYS 51 19.542 18.341 -0.216 399 HG3 LYS 51 HG1 LYS 51 19.469 19.424 -1.614 400 HD2 LYS 51 HD2 LYS 51 20.248 20.555 0.424 401 HD3 LYS 51 HD1 LYS 51 18.754 21.238 -0.227 402 HE2 LYS 51 HE2 LYS 51 18.610 21.054 2.215 403 HE3 LYS 51 HE1 LYS 51 17.455 19.986 1.418 404 HZ1 LYS 51 HZ1 LYS 51 20.079 19.127 2.515 405 HZ2 LYS 51 HZ2 LYS 51 18.892 18.123 1.853 406 HZ3 LYS 51 HZ3 LYS 51 18.594 18.924 3.280 407 H GLN 52 H GLN 52 15.485 18.132 -3.538 408 HA GLN 52 HA GLN 52 13.403 17.323 -1.660 409 HB2 GLN 52 HB2 GLN 52 13.101 18.759 -4.280 410 HB3 GLN 52 HB1 GLN 52 11.832 18.474 -3.096 411 HG2 GLN 52 HG2 GLN 52 14.234 20.265 -2.815 412 HG3 GLN 52 HG1 GLN 52 12.543 20.733 -2.940 413 HE21 GLN 52 HE21 GLN 52 11.632 18.672 -1.074 414 HE22 GLN 52 HE22 GLN 52 12.145 19.196 0.492 415 H GLN 53 H GLN 53 15.190 16.274 -4.273 416 HA GLN 53 HA GLN 53 13.187 14.203 -4.856 417 HB2 GLN 53 HB2 GLN 53 14.288 13.929 -7.037 418 HB3 GLN 53 HB1 GLN 53 13.618 15.545 -6.835 419 HG2 GLN 53 HG2 GLN 53 15.894 16.324 -6.233 420 HG3 GLN 53 HG1 GLN 53 16.497 14.716 -6.621 421 HE21 GLN 53 HE21 GLN 53 17.135 17.254 -7.813 422 HE22 GLN 53 HE22 GLN 53 16.749 17.146 -9.476 423 H GLN 54 H GLN 54 15.641 14.706 -3.030 424 HA GLN 54 HA GLN 54 17.515 12.653 -3.513 425 HB2 GLN 54 HB2 GLN 54 18.223 13.039 -1.182 426 HB3 GLN 54 HB1 GLN 54 17.897 14.578 -1.966 427 HG2 GLN 54 HG2 GLN 54 15.726 14.660 -0.932 428 HG3 GLN 54 HG1 GLN 54 16.039 13.132 -0.142 429 HE21 GLN 54 HE21 GLN 54 15.832 14.117 1.907 430 HE22 GLN 54 HE22 GLN 54 17.058 15.106 2.590 431 H HIS 55 H HIS 55 14.404 12.786 -2.054 432 HA HIS 55 HA HIS 55 14.381 10.426 -0.604 433 HB2 HIS 55 HB2 HIS 55 11.867 10.485 -0.846 434 HB3 HIS 55 HB1 HIS 55 12.598 11.926 -0.174 435 HD1 HIS 55 HD1 HIS 55 10.218 13.020 -0.913 436 HD2 HIS 55 HD2 HIS 55 12.812 11.936 -3.937 437 HE1 HIS 55 HE1 HIS 55 9.413 14.224 -2.977 438 H LEU 56 H LEU 56 14.232 10.866 -4.005 439 HA LEU 56 HA LEU 56 13.038 8.323 -4.577 440 HB2 LEU 56 HB2 LEU 56 12.985 9.955 -6.329 441 HB3 LEU 56 HB1 LEU 56 14.740 10.125 -6.284 442 HG LEU 56 HG LEU 56 14.715 7.593 -6.696 443 HD11 LEU 56 HD11 LEU 56 12.523 7.095 -6.477 444 HD12 LEU 56 HD12 LEU 56 12.996 6.765 -8.142 445 HD13 LEU 56 HD13 LEU 56 12.016 8.203 -7.762 446 HD21 LEU 56 HD21 LEU 56 14.226 9.552 -8.917 447 HD22 LEU 56 HD22 LEU 56 14.870 7.885 -9.053 448 HD23 LEU 56 HD23 LEU 56 15.749 9.085 -8.121 449 H SER 57 H SER 57 16.295 9.664 -4.673 450 HA SER 57 HA SER 57 17.654 7.396 -5.462 451 HB2 SER 57 HB2 SER 57 18.622 9.662 -3.722 452 HB3 SER 57 HB1 SER 57 19.587 8.657 -4.816 453 HG SER 57 HG SER 57 18.596 9.547 -6.546 454 H LEU 58 H LEU 58 16.344 8.307 -2.464 455 HA LEU 58 HA LEU 58 17.774 6.272 -0.955 456 HB2 LEU 58 HB2 LEU 58 15.508 8.037 0.009 457 HB3 LEU 58 HB1 LEU 58 16.634 7.095 0.961 458 HG LEU 58 HG LEU 58 17.443 9.411 -0.778 459 HD11 LEU 58 HD11 LEU 58 17.670 10.681 1.279 460 HD12 LEU 58 HD12 LEU 58 17.003 9.328 2.191 461 HD13 LEU 58 HD13 LEU 58 16.004 10.176 1.011 462 HD21 LEU 58 HD21 LEU 58 19.535 9.305 0.513 463 HD22 LEU 58 HD22 LEU 58 19.240 7.823 -0.394 464 HD23 LEU 58 HD23 LEU 58 18.938 7.869 1.344 465 H CYS 59 H CYS 59 14.354 6.993 -1.682 466 HA CYS 59 HA CYS 59 13.280 4.674 -0.555 467 HB2 CYS 59 HB2 CYS 59 12.047 6.676 -0.868 468 HB3 CYS 59 HB1 CYS 59 12.182 6.599 -2.600 469 H CYS 60 H CYS 60 13.880 5.496 -4.008 470 HA CYS 60 HA CYS 60 12.955 3.109 -5.172 471 HB2 CYS 60 HB2 CYS 60 13.300 5.009 -6.591 472 HB3 CYS 60 HB1 CYS 60 14.965 5.180 -6.074 473 H ASN 61 H ASN 61 15.954 4.108 -3.928 474 HA ASN 61 HA ASN 61 17.444 1.790 -4.707 475 HB2 ASN 61 HB2 ASN 61 18.428 3.924 -4.232 476 HB3 ASN 61 HB1 ASN 61 18.014 3.777 -2.543 477 HD21 ASN 61 HD21 ASN 61 20.078 2.473 -5.039 478 HD22 ASN 61 HD22 ASN 61 21.202 1.698 -3.978 479 H GLN 62 H GLN 62 15.497 2.543 -1.973 480 HA GLN 62 HA GLN 62 16.456 0.368 -0.399 481 HB2 GLN 62 HB2 GLN 62 15.609 2.454 0.611 482 HB3 GLN 62 HB1 GLN 62 14.039 2.150 -0.091 483 HG2 GLN 62 HG2 GLN 62 14.023 1.643 2.251 484 HG3 GLN 62 HG1 GLN 62 13.786 0.180 1.304 485 HE21 GLN 62 HE21 GLN 62 16.922 1.699 1.792 486 HE22 GLN 62 HE22 GLN 62 17.561 0.428 2.757 487 H LEU 63 H LEU 63 13.637 1.074 -2.365 488 HA LEU 63 HA LEU 63 12.211 -1.302 -1.736 489 HB2 LEU 63 HB2 LEU 63 10.598 -0.557 -3.356 490 HB3 LEU 63 HB1 LEU 63 11.194 0.862 -2.533 491 HG LEU 63 HG LEU 63 12.799 1.024 -4.564 492 HD11 LEU 63 HD11 LEU 63 12.126 -1.022 -5.620 493 HD12 LEU 63 HD12 LEU 63 11.758 0.384 -6.623 494 HD13 LEU 63 HD13 LEU 63 10.465 -0.437 -5.739 495 HD21 LEU 63 HD21 LEU 63 9.920 1.809 -4.510 496 HD22 LEU 63 HD22 LEU 63 11.120 2.416 -5.661 497 HD23 LEU 63 HD23 LEU 63 11.319 2.728 -3.928 498 H GLN 64 H GLN 64 14.509 -0.420 -4.168 499 HA GLN 64 HA GLN 64 13.980 -2.511 -5.993 500 HB2 GLN 64 HB2 GLN 64 15.977 -1.828 -7.158 501 HB3 GLN 64 HB1 GLN 64 15.179 -0.397 -6.500 502 HG2 GLN 64 HG2 GLN 64 16.694 -0.169 -4.792 503 HG3 GLN 64 HG1 GLN 64 17.454 -1.735 -5.095 504 HE21 GLN 64 HE21 GLN 64 18.765 -1.943 -6.938 505 HE22 GLN 64 HE22 GLN 64 19.460 -0.586 -7.748 506 H GLU 65 H GLU 65 15.542 -2.535 -2.992 507 HA GLU 65 HA GLU 65 17.224 -4.807 -3.548 508 HB2 GLU 65 HB2 GLU 65 16.392 -3.618 -0.913 509 HB3 GLU 65 HB1 GLU 65 17.674 -4.795 -1.153 510 HG2 GLU 65 HG2 GLU 65 18.874 -3.128 -2.530 511 HG3 GLU 65 HG1 GLU 65 17.621 -1.955 -2.122 512 H VAL 66 H VAL 66 14.036 -4.136 -2.594 513 HA VAL 66 HA VAL 66 13.355 -6.619 -1.384 514 HB VAL 66 HB VAL 66 11.534 -4.623 -2.796 515 HG11 VAL 66 HG11 VAL 66 10.446 -6.754 -2.271 516 HG12 VAL 66 HG12 VAL 66 9.764 -5.407 -1.362 517 HG13 VAL 66 HG13 VAL 66 10.860 -6.537 -0.567 518 HG21 VAL 66 HG21 VAL 66 11.191 -3.573 -0.618 519 HG22 VAL 66 HG22 VAL 66 12.856 -3.452 -1.172 520 HG23 VAL 66 HG23 VAL 66 12.428 -4.623 0.079 521 H GLU 67 H GLU 67 11.895 -8.185 -2.448 522 HA GLU 67 HA GLU 67 12.809 -9.306 -4.757 523 HB2 GLU 67 HB2 GLU 67 10.162 -9.456 -3.400 524 HB3 GLU 67 HB1 GLU 67 10.492 -10.422 -4.822 525 HG2 GLU 67 HG2 GLU 67 12.406 -11.380 -3.710 526 HG3 GLU 67 HG1 GLU 67 12.035 -10.457 -2.249 527 H LYS 68 H LYS 68 12.294 -9.270 -6.902 528 HA LYS 68 HA LYS 68 11.618 -6.835 -8.058 529 HB2 LYS 68 HB2 LYS 68 11.416 -8.071 -10.214 530 HB3 LYS 68 HB1 LYS 68 12.919 -8.345 -9.350 531 HG2 LYS 68 HG2 LYS 68 12.174 -10.493 -8.622 532 HG3 LYS 68 HG1 LYS 68 10.562 -10.213 -9.286 533 HD2 LYS 68 HD2 LYS 68 13.059 -10.226 -10.926 534 HD3 LYS 68 HD1 LYS 68 12.119 -11.697 -10.632 535 HE2 LYS 68 HE2 LYS 68 10.154 -10.535 -11.649 536 HE3 LYS 68 HE1 LYS 68 11.207 -9.177 -12.041 537 HZ1 LYS 68 HZ1 LYS 68 10.897 -10.719 -13.898 538 HZ2 LYS 68 HZ2 LYS 68 11.618 -11.954 -12.995 539 HZ3 LYS 68 HZ3 LYS 68 12.511 -10.595 -13.436 540 H GLN 69 H GLN 69 9.556 -9.508 -7.255 541 HA GLN 69 HA GLN 69 7.307 -8.453 -8.738 542 HB2 GLN 69 HB2 GLN 69 6.062 -10.333 -7.826 543 HB3 GLN 69 HB1 GLN 69 7.624 -10.894 -8.404 544 HG2 GLN 69 HG2 GLN 69 8.455 -10.785 -6.047 545 HG3 GLN 69 HG1 GLN 69 6.823 -10.387 -5.553 546 HE21 GLN 69 HE21 GLN 69 6.672 -12.178 -4.281 547 HE22 GLN 69 HE22 GLN 69 6.490 -13.772 -4.899 548 H CYS 70 H CYS 70 8.761 -7.609 -5.894 549 HA CYS 70 HA CYS 70 6.240 -6.759 -4.649 550 HB2 CYS 70 HB2 CYS 70 8.850 -7.465 -3.353 551 HB3 CYS 70 HB1 CYS 70 7.394 -6.965 -2.495 552 H GLN 71 H GLN 71 9.095 -5.653 -6.080 553 HA GLN 71 HA GLN 71 9.743 -3.278 -4.656 554 HB2 GLN 71 HB2 GLN 71 9.996 -4.057 -7.539 555 HB3 GLN 71 HB1 GLN 71 10.634 -2.541 -6.891 556 HG2 GLN 71 HG2 GLN 71 12.085 -3.747 -5.417 557 HG3 GLN 71 HG1 GLN 71 11.365 -5.279 -5.899 558 HE21 GLN 71 HE21 GLN 71 13.357 -6.021 -6.475 559 HE22 GLN 71 HE22 GLN 71 14.156 -5.549 -7.937 560 H CYS 72 H CYS 72 7.497 -3.610 -7.413 561 HA CYS 72 HA CYS 72 6.745 -0.913 -7.029 562 HB2 CYS 72 HB2 CYS 72 4.922 -1.372 -8.654 563 HB3 CYS 72 HB1 CYS 72 6.564 -1.717 -9.184 564 H GLU 73 H GLU 73 5.754 -3.813 -5.646 565 HA GLU 73 HA GLU 73 3.198 -3.010 -4.884 566 HB2 GLU 73 HB2 GLU 73 5.038 -5.005 -3.562 567 HB3 GLU 73 HB1 GLU 73 3.339 -4.855 -3.179 568 HG2 GLU 73 HG2 GLU 73 4.531 -5.636 -5.834 569 HG3 GLU 73 HG1 GLU 73 3.741 -6.714 -4.689 570 H ALA 74 H ALA 74 6.403 -2.622 -3.550 571 HA ALA 74 HA ALA 74 5.885 -1.724 -1.021 572 HB1 ALA 74 HB1 ALA 74 8.119 -0.752 -1.104 573 HB2 ALA 74 HB2 ALA 74 8.112 -0.844 -2.861 574 HB3 ALA 74 HB3 ALA 74 8.124 -2.321 -1.911 575 H ILE 75 H ILE 75 5.499 -0.169 -4.106 576 HA ILE 75 HA ILE 75 5.665 2.545 -3.258 577 HB ILE 75 HB ILE 75 4.206 1.475 -5.677 578 HG12 ILE 75 HG12 ILE 75 6.420 0.559 -5.755 579 HG13 ILE 75 HG11 ILE 75 6.325 1.858 -6.935 580 HG21 ILE 75 HG21 ILE 75 5.487 4.146 -5.218 581 HG22 ILE 75 HG22 ILE 75 3.776 3.775 -5.052 582 HG23 ILE 75 HG23 ILE 75 4.536 3.642 -6.626 583 HD11 ILE 75 HD11 ILE 75 7.518 3.308 -5.301 584 HD12 ILE 75 HD12 ILE 75 8.412 1.870 -5.828 585 HD13 ILE 75 HD13 ILE 75 7.649 1.883 -4.247 586 H LYS 76 H LYS 76 3.219 0.093 -3.476 587 HA LYS 76 HA LYS 76 0.934 1.777 -3.407 588 HB2 LYS 76 HB2 LYS 76 1.287 -1.090 -2.500 589 HB3 LYS 76 HB1 LYS 76 -0.245 -0.295 -2.811 590 HG2 LYS 76 HG2 LYS 76 1.886 -0.864 -4.859 591 HG3 LYS 76 HG1 LYS 76 0.415 -1.804 -4.628 592 HD2 LYS 76 HD2 LYS 76 -0.894 0.313 -5.082 593 HD3 LYS 76 HD1 LYS 76 0.676 1.047 -5.464 594 HE2 LYS 76 HE2 LYS 76 1.008 -0.286 -7.329 595 HE3 LYS 76 HE1 LYS 76 -0.248 -1.439 -6.865 596 HZ1 LYS 76 HZ1 LYS 76 -0.827 0.065 -8.723 597 HZ2 LYS 76 HZ2 LYS 76 -0.804 1.379 -7.653 598 HZ3 LYS 76 HZ3 LYS 76 -1.895 0.120 -7.437 599 H GLN 77 H GLN 77 2.915 0.031 -1.231 600 HA GLN 77 HA GLN 77 1.498 0.386 1.158 601 HB2 GLN 77 HB2 GLN 77 4.488 0.180 0.995 602 HB3 GLN 77 HB1 GLN 77 3.450 -0.271 2.336 603 HG2 GLN 77 HG2 GLN 77 2.456 -1.893 0.440 604 HG3 GLN 77 HG1 GLN 77 4.062 -1.674 -0.165 605 HE21 GLN 77 HE21 GLN 77 5.260 -1.280 2.449 606 HE22 GLN 77 HE22 GLN 77 5.372 -2.854 3.162 607 H VAL 78 H VAL 78 4.158 2.246 -0.282 608 HA VAL 78 HA VAL 78 4.585 4.089 1.752 609 HB VAL 78 HB VAL 78 4.560 4.975 -1.133 610 HG11 VAL 78 HG11 VAL 78 6.172 5.851 1.211 611 HG12 VAL 78 HG12 VAL 78 4.819 6.704 0.484 612 HG13 VAL 78 HG13 VAL 78 6.322 6.486 -0.432 613 HG21 VAL 78 HG21 VAL 78 6.868 4.272 -1.351 614 HG22 VAL 78 HG22 VAL 78 5.838 2.877 -0.999 615 HG23 VAL 78 HG23 VAL 78 6.828 3.596 0.272 616 H VAL 79 H VAL 79 2.178 4.120 -0.818 617 HA VAL 79 HA VAL 79 1.289 6.769 -0.222 618 HB VAL 79 HB VAL 79 -0.256 4.619 -1.638 619 HG11 VAL 79 HG11 VAL 79 -0.405 7.622 -1.818 620 HG12 VAL 79 HG12 VAL 79 -1.529 6.577 -0.969 621 HG13 VAL 79 HG13 VAL 79 -1.409 6.487 -2.734 622 HG21 VAL 79 HG21 VAL 79 0.697 5.535 -3.750 623 HG22 VAL 79 HG22 VAL 79 1.873 4.755 -2.700 624 HG23 VAL 79 HG23 VAL 79 1.799 6.521 -2.773 625 H GLU 80 H GLU 80 0.212 3.528 0.472 626 HA GLU 80 HA GLU 80 -2.181 4.156 1.777 627 HB2 GLU 80 HB2 GLU 80 -0.352 1.771 2.041 628 HB3 GLU 80 HB1 GLU 80 -1.926 1.878 2.809 629 HG2 GLU 80 HG2 GLU 80 -3.004 2.021 0.637 630 HG3 GLU 80 HG1 GLU 80 -1.429 1.996 -0.157 631 H GLN 81 H GLN 81 1.049 3.467 3.093 632 HA GLN 81 HA GLN 81 0.192 3.912 5.745 633 HB2 GLN 81 HB2 GLN 81 2.534 3.625 6.385 634 HB3 GLN 81 HB1 GLN 81 2.030 2.379 5.260 635 HG2 GLN 81 HG2 GLN 81 3.157 3.648 3.445 636 HG3 GLN 81 HG1 GLN 81 3.724 4.786 4.657 637 HE21 GLN 81 HE21 GLN 81 5.179 4.098 6.195 638 HE22 GLN 81 HE22 GLN 81 6.202 2.712 5.968 639 H ALA 82 H ALA 82 1.603 5.999 3.320 640 HA ALA 82 HA ALA 82 2.232 8.110 5.116 641 HB1 ALA 82 HB1 ALA 82 1.714 8.258 2.151 642 HB2 ALA 82 HB2 ALA 82 3.275 7.928 2.895 643 HB3 ALA 82 HB3 ALA 82 2.497 9.495 3.132 644 H GLN 83 H GLN 83 -0.581 7.352 3.135 645 HA GLN 83 HA GLN 83 -1.800 9.838 3.754 646 HB2 GLN 83 HB2 GLN 83 -3.764 9.085 2.612 647 HB3 GLN 83 HB1 GLN 83 -2.376 8.550 1.685 648 HG2 GLN 83 HG2 GLN 83 -2.665 6.291 2.615 649 HG3 GLN 83 HG1 GLN 83 -4.074 6.856 3.508 650 HE21 GLN 83 HE21 GLN 83 -3.990 4.777 1.558 651 HE22 GLN 83 HE22 GLN 83 -5.011 5.251 0.251 652 H LYS 84 H LYS 84 -1.939 6.618 5.106 653 HA LYS 84 HA LYS 84 -4.124 7.201 6.798 654 HB2 LYS 84 HB2 LYS 84 -3.659 5.084 7.942 655 HB3 LYS 84 HB1 LYS 84 -3.618 4.899 6.201 656 HG2 LYS 84 HG2 LYS 84 -1.788 3.614 6.856 657 HG3 LYS 84 HG1 LYS 84 -1.083 5.198 6.501 658 HD2 LYS 84 HD2 LYS 84 -0.927 5.765 8.722 659 HD3 LYS 84 HD1 LYS 84 -1.827 4.334 9.260 660 HE2 LYS 84 HE2 LYS 84 -0.062 2.907 8.338 661 HE3 LYS 84 HE1 LYS 84 0.830 4.333 7.817 662 HZ1 LYS 84 HZ1 LYS 84 1.038 4.973 10.119 663 HZ2 LYS 84 HZ2 LYS 84 1.726 3.491 9.824 664 HZ3 LYS 84 HZ3 LYS 84 0.222 3.572 10.616 665 H GLN 85 H GLN 85 -0.698 7.681 7.149 666 HA GLN 85 HA GLN 85 -0.820 8.010 9.966 667 HB2 GLN 85 HB2 GLN 85 1.481 8.505 9.890 668 HB3 GLN 85 HB1 GLN 85 1.174 7.467 8.487 669 HG2 GLN 85 HG2 GLN 85 1.311 9.290 6.985 670 HG3 GLN 85 HG1 GLN 85 1.298 10.452 8.304 671 HE21 GLN 85 HE21 GLN 85 3.224 8.872 9.888 672 HE22 GLN 85 HE22 GLN 85 4.747 9.104 9.121 673 H LEU 86 H LEU 86 -1.282 10.077 7.247 674 HA LEU 86 HA LEU 86 -1.472 12.411 8.924 675 HB2 LEU 86 HB2 LEU 86 -1.413 11.887 6.032 676 HB3 LEU 86 HB1 LEU 86 -2.411 13.247 6.471 677 HG LEU 86 HG LEU 86 -0.158 13.924 5.857 678 HD11 LEU 86 HD11 LEU 86 -1.532 15.142 7.542 679 HD12 LEU 86 HD12 LEU 86 0.204 15.404 7.630 680 HD13 LEU 86 HD13 LEU 86 -0.588 14.337 8.803 681 HD21 LEU 86 HD21 LEU 86 1.721 13.436 7.341 682 HD22 LEU 86 HD22 LEU 86 1.080 11.959 6.611 683 HD23 LEU 86 HD23 LEU 86 0.692 12.363 8.283 684 H GLN 87 H GLN 87 -3.591 10.224 7.266 685 HA GLN 87 HA GLN 87 -6.075 11.430 7.515 686 HB2 GLN 87 HB2 GLN 87 -5.555 9.402 6.210 687 HB3 GLN 87 HB1 GLN 87 -5.342 8.522 7.711 688 HG2 GLN 87 HG2 GLN 87 -7.704 8.892 8.239 689 HG3 GLN 87 HG1 GLN 87 -7.905 9.701 6.684 690 HE21 GLN 87 HE21 GLN 87 -9.373 8.173 5.964 691 HE22 GLN 87 HE22 GLN 87 -8.905 6.579 5.523 692 H GLN 88 H GLN 88 -4.235 9.529 9.832 693 HA GLN 88 HA GLN 88 -6.380 9.369 11.751 694 HB2 GLN 88 HB2 GLN 88 -4.770 8.260 13.188 695 HB3 GLN 88 HB1 GLN 88 -4.694 7.610 11.550 696 HG2 GLN 88 HG2 GLN 88 -2.702 8.963 11.114 697 HG3 GLN 88 HG1 GLN 88 -2.778 9.595 12.753 698 HE21 GLN 88 HE21 GLN 88 -3.406 6.259 11.867 699 HE22 GLN 88 HE22 GLN 88 -2.032 5.601 12.668 700 H GLY 89 H GLY 89 -4.280 11.766 10.896 701 HA2 GLY 89 HA2 GLY 89 -4.284 12.915 13.605 702 HA3 GLY 89 HA1 GLY 89 -3.039 13.232 12.410 703 H GLN 90 H GLN 90 -3.166 15.013 11.382 704 HA GLN 90 HA GLN 90 -5.168 16.952 11.904 705 HB2 GLN 90 HB2 GLN 90 -3.076 17.111 9.745 706 HB3 GLN 90 HB1 GLN 90 -3.860 18.432 10.583 707 HG2 GLN 90 HG2 GLN 90 -1.801 18.456 11.554 708 HG3 GLN 90 HG1 GLN 90 -2.677 17.413 12.669 709 HE21 GLN 90 HE21 GLN 90 0.151 17.622 12.086 710 HE22 GLN 90 HE22 GLN 90 0.709 16.045 11.657 711 H GLY 91 H GLY 91 -4.291 15.008 9.170 712 HA2 GLY 91 HA2 GLY 91 -6.350 14.613 7.616 713 HA3 GLY 91 HA1 GLY 91 -6.197 16.366 7.436 714 H GLY 92 H GLY 92 -4.421 17.252 6.418 715 HA2 GLY 92 HA2 GLY 92 -2.481 17.369 5.350 716 HA3 GLY 92 HA1 GLY 92 -2.065 15.747 5.861 717 H GLN 93 H GLN 93 -4.187 14.452 4.622 718 HA GLN 93 HA GLN 93 -3.129 13.689 2.253 719 HB2 GLN 93 HB2 GLN 93 -5.972 13.703 3.135 720 HB3 GLN 93 HB1 GLN 93 -5.442 12.842 1.682 721 HG2 GLN 93 HG2 GLN 93 -3.939 11.505 3.123 722 HG3 GLN 93 HG1 GLN 93 -4.565 12.366 4.529 723 HE21 GLN 93 HE21 GLN 93 -5.285 10.083 2.038 724 HE22 GLN 93 HE22 GLN 93 -6.684 9.395 2.778 725 H GLN 94 H GLN 94 -5.197 16.460 2.682 726 HA GLN 94 HA GLN 94 -5.632 16.845 -0.129 727 HB2 GLN 94 HB2 GLN 94 -6.565 19.029 0.489 728 HB3 GLN 94 HB1 GLN 94 -7.239 17.729 1.459 729 HG2 GLN 94 HG2 GLN 94 -5.799 18.327 3.305 730 HG3 GLN 94 HG1 GLN 94 -5.035 19.561 2.320 731 HE21 GLN 94 HE21 GLN 94 -6.159 21.449 1.877 732 HE22 GLN 94 HE22 GLN 94 -7.589 21.927 2.704 733 H GLN 95 H GLN 95 -3.364 18.146 2.232 734 HA GLN 95 HA GLN 95 -2.233 19.963 0.293 735 HB2 GLN 95 HB2 GLN 95 -0.745 20.703 2.129 736 HB3 GLN 95 HB1 GLN 95 -2.462 20.790 2.574 737 HG2 GLN 95 HG2 GLN 95 -2.213 18.796 3.836 738 HG3 GLN 95 HG1 GLN 95 -0.504 18.690 3.409 739 HE21 GLN 95 HE21 GLN 95 -2.870 20.373 5.299 740 HE22 GLN 95 HE22 GLN 95 -1.759 21.291 6.243 741 H VAL 96 H VAL 96 -1.330 17.199 2.117 742 HA VAL 96 HA VAL 96 1.271 16.723 1.162 743 HB VAL 96 HB VAL 96 -0.806 14.831 2.323 744 HG11 VAL 96 HG11 VAL 96 0.772 13.474 1.169 745 HG12 VAL 96 HG12 VAL 96 1.069 13.393 2.916 746 HG13 VAL 96 HG13 VAL 96 2.117 14.375 1.877 747 HG21 VAL 96 HG21 VAL 96 0.440 15.057 4.392 748 HG22 VAL 96 HG22 VAL 96 -0.182 16.604 3.839 749 HG23 VAL 96 HG23 VAL 96 1.530 16.215 3.625 750 H GLN 97 H GLN 97 -1.818 16.237 -0.243 751 HA GLN 97 HA GLN 97 -1.628 14.071 -1.902 752 HB2 GLN 97 HB2 GLN 97 -3.610 15.479 -1.750 753 HB3 GLN 97 HB1 GLN 97 -2.767 16.742 -2.638 754 HG2 GLN 97 HG2 GLN 97 -2.634 15.351 -4.586 755 HG3 GLN 97 HG1 GLN 97 -3.368 14.009 -3.728 756 HE21 GLN 97 HE21 GLN 97 -5.131 13.883 -5.139 757 HE22 GLN 97 HE22 GLN 97 -6.352 15.098 -5.172 758 H GLN 98 H GLN 98 -0.331 17.290 -2.607 759 HA GLN 98 HA GLN 98 0.527 16.672 -5.225 760 HB2 GLN 98 HB2 GLN 98 1.860 18.753 -5.085 761 HB3 GLN 98 HB1 GLN 98 0.175 18.970 -4.644 762 HG2 GLN 98 HG2 GLN 98 0.755 18.986 -2.310 763 HG3 GLN 98 HG1 GLN 98 2.444 18.670 -2.698 764 HE21 GLN 98 HE21 GLN 98 3.694 20.312 -3.530 765 HE22 GLN 98 HE22 GLN 98 3.206 21.956 -3.520 766 H MET 99 H MET 99 1.925 15.946 -2.178 767 HA MET 99 HA MET 99 4.589 15.668 -3.367 768 HB2 MET 99 HB2 MET 99 3.913 16.643 -0.944 769 HB3 MET 99 HB1 MET 99 3.977 14.962 -0.535 770 HG2 MET 99 HG2 MET 99 6.044 15.835 0.031 771 HG3 MET 99 HG1 MET 99 6.249 14.783 -1.370 772 HE1 MET 99 HE1 MET 99 9.030 17.554 -1.753 773 HE2 MET 99 HE2 MET 99 8.714 15.827 -1.580 774 HE3 MET 99 HE3 MET 99 8.404 16.919 -0.232 775 H VAL 100 H VAL 100 2.220 13.881 -1.581 776 HA VAL 100 HA VAL 100 3.505 11.410 -1.851 777 HB VAL 100 HB VAL 100 1.756 11.725 -0.160 778 HG11 VAL 100 HG11 VAL 100 -0.185 11.744 -2.451 779 HG12 VAL 100 HG12 VAL 100 0.200 13.087 -1.373 780 HG13 VAL 100 HG13 VAL 100 -0.620 11.656 -0.741 781 HG21 VAL 100 HG21 VAL 100 1.131 9.546 -2.115 782 HG22 VAL 100 HG22 VAL 100 0.563 9.584 -0.439 783 HG23 VAL 100 HG23 VAL 100 2.298 9.461 -0.796 784 H LYS 101 H LYS 101 1.404 13.085 -4.114 785 HA LYS 101 HA LYS 101 0.869 10.931 -5.779 786 HB2 LYS 101 HB2 LYS 101 0.266 12.527 -7.492 787 HB3 LYS 101 HB1 LYS 101 -0.211 13.103 -5.894 788 HG2 LYS 101 HG2 LYS 101 0.509 15.023 -6.963 789 HG3 LYS 101 HG1 LYS 101 1.865 14.510 -5.965 790 HD2 LYS 101 HD2 LYS 101 3.063 13.684 -7.839 791 HD3 LYS 101 HD1 LYS 101 1.649 13.798 -8.884 792 HE2 LYS 101 HE2 LYS 101 3.018 16.154 -7.606 793 HE3 LYS 101 HE1 LYS 101 3.353 15.593 -9.243 794 HZ1 LYS 101 HZ1 LYS 101 0.974 16.022 -9.769 795 HZ2 LYS 101 HZ2 LYS 101 1.824 17.386 -9.341 796 HZ3 LYS 101 HZ3 LYS 101 0.756 16.720 -8.241 797 H LYS 102 H LYS 102 3.848 12.584 -5.369 798 HA LYS 102 HA LYS 102 5.179 11.947 -7.809 799 HB2 LYS 102 HB2 LYS 102 6.374 12.011 -5.050 800 HB3 LYS 102 HB1 LYS 102 7.258 12.078 -6.559 801 HG2 LYS 102 HG2 LYS 102 6.380 14.239 -7.034 802 HG3 LYS 102 HG1 LYS 102 5.312 14.152 -5.622 803 HD2 LYS 102 HD2 LYS 102 7.303 13.852 -4.201 804 HD3 LYS 102 HD1 LYS 102 8.321 14.154 -5.615 805 HE2 LYS 102 HE2 LYS 102 6.225 15.923 -4.543 806 HE3 LYS 102 HE1 LYS 102 7.922 16.087 -4.122 807 HZ1 LYS 102 HZ1 LYS 102 7.356 17.648 -5.934 808 HZ2 LYS 102 HZ2 LYS 102 6.749 16.416 -6.872 809 HZ3 LYS 102 HZ3 LYS 102 8.390 16.473 -6.547 810 H ALA 103 H ALA 103 4.686 10.302 -4.823 811 HA ALA 103 HA ALA 103 6.278 8.028 -5.097 812 HB1 ALA 103 HB1 ALA 103 4.772 6.837 -3.603 813 HB2 ALA 103 HB2 ALA 103 3.522 8.050 -3.876 814 HB3 ALA 103 HB3 ALA 103 5.014 8.494 -3.050 815 H GLN 104 H GLN 104 3.186 8.687 -6.598 816 HA GLN 104 HA GLN 104 2.671 6.045 -7.535 817 HB2 GLN 104 HB2 GLN 104 1.697 8.674 -8.636 818 HB3 GLN 104 HB1 GLN 104 1.032 7.094 -9.007 819 HG2 GLN 104 HG2 GLN 104 0.418 6.862 -6.599 820 HG3 GLN 104 HG1 GLN 104 0.986 8.509 -6.363 821 HE21 GLN 104 HE21 GLN 104 -1.019 9.201 -5.762 822 HE22 GLN 104 HE22 GLN 104 -2.311 9.437 -6.876 823 H MET 105 H MET 105 4.846 8.456 -8.543 824 HA MET 105 HA MET 105 4.995 7.509 -11.302 825 HB2 MET 105 HB2 MET 105 6.771 9.489 -9.968 826 HB3 MET 105 HB1 MET 105 6.532 9.269 -11.683 827 HG2 MET 105 HG2 MET 105 4.166 9.968 -11.408 828 HG3 MET 105 HG1 MET 105 4.525 10.366 -9.746 829 HE1 MET 105 HE1 MET 105 3.329 12.458 -11.914 830 HE2 MET 105 HE2 MET 105 4.220 13.909 -11.452 831 HE3 MET 105 HE3 MET 105 3.579 12.833 -10.210 832 H LEU 106 H LEU 106 6.322 6.875 -8.299 833 HA LEU 106 HA LEU 106 8.977 6.360 -8.885 834 HB2 LEU 106 HB2 LEU 106 7.193 5.466 -6.697 835 HB3 LEU 106 HB1 LEU 106 8.635 4.530 -6.973 836 HG LEU 106 HG LEU 106 10.076 6.372 -6.510 837 HD11 LEU 106 HD11 LEU 106 8.963 8.184 -7.583 838 HD12 LEU 106 HD12 LEU 106 9.200 8.614 -5.886 839 HD13 LEU 106 HD13 LEU 106 7.615 8.097 -6.466 840 HD21 LEU 106 HD21 LEU 106 7.825 6.316 -4.518 841 HD22 LEU 106 HD22 LEU 106 9.453 6.925 -4.217 842 HD23 LEU 106 HD23 LEU 106 9.202 5.217 -4.576 843 HA PRO 107 HA PRO 107 7.968 1.833 -10.098 844 HB2 PRO 107 HB2 PRO 107 5.571 1.552 -11.431 845 HB3 PRO 107 HB1 PRO 107 5.829 1.077 -9.750 846 HG2 PRO 107 HG2 PRO 107 4.600 3.568 -10.848 847 HG3 PRO 107 HG1 PRO 107 4.112 2.592 -9.449 848 HD2 PRO 107 HD2 PRO 107 5.460 4.893 -9.148 849 HD3 PRO 107 HD1 PRO 107 5.752 3.503 -8.085 850 H ASN 108 H ASN 108 6.917 4.735 -11.799 851 HA ASN 108 HA ASN 108 7.593 3.657 -14.336 852 HB2 ASN 108 HB2 ASN 108 6.714 6.310 -13.267 853 HB3 ASN 108 HB1 ASN 108 7.150 6.073 -14.943 854 HD21 ASN 108 HD21 ASN 108 5.749 4.903 -16.250 855 HD22 ASN 108 HD22 ASN 108 4.137 4.507 -15.810 856 H GLN 109 H GLN 109 8.878 5.915 -11.962 857 HA GLN 109 HA GLN 109 11.096 6.647 -13.628 858 HB2 GLN 109 HB2 GLN 109 10.558 7.308 -10.736 859 HB3 GLN 109 HB1 GLN 109 11.852 7.994 -11.703 860 HG2 GLN 109 HG2 GLN 109 8.889 8.375 -12.069 861 HG3 GLN 109 HG1 GLN 109 10.085 9.587 -11.614 862 HE21 GLN 109 HE21 GLN 109 8.630 7.850 -14.197 863 HE22 GLN 109 HE22 GLN 109 9.415 8.661 -15.485 864 H CYS 110 H CYS 110 10.665 4.543 -10.846 865 HA CYS 110 HA CYS 110 13.492 4.040 -10.559 866 HB2 CYS 110 HB2 CYS 110 11.725 4.024 -8.693 867 HB3 CYS 110 HB1 CYS 110 11.170 2.531 -9.361 868 H ASN 111 H ASN 111 11.153 3.074 -12.701 869 HA ASN 111 HA ASN 111 10.958 1.519 -14.283 870 HB2 ASN 111 HB2 ASN 111 13.304 2.042 -14.860 871 HB3 ASN 111 HB1 ASN 111 13.857 0.886 -13.654 872 HD21 ASN 111 HD21 ASN 111 15.009 -0.255 -15.246 873 HD22 ASN 111 HD22 ASN 111 14.216 -1.273 -16.390 874 H LEU 112 H LEU 112 9.682 0.891 -12.391 875 HA LEU 112 HA LEU 112 10.316 -1.823 -11.527 876 HB2 LEU 112 HB2 LEU 112 8.021 -0.080 -10.625 877 HB3 LEU 112 HB1 LEU 112 8.578 -1.567 -9.890 878 HG LEU 112 HG LEU 112 10.072 1.035 -9.948 879 HD11 LEU 112 HD11 LEU 112 9.791 1.000 -7.499 880 HD12 LEU 112 HD12 LEU 112 8.795 -0.431 -7.639 881 HD13 LEU 112 HD13 LEU 112 8.246 1.095 -8.329 882 HD21 LEU 112 HD21 LEU 112 11.744 -0.080 -8.544 883 HD22 LEU 112 HD22 LEU 112 11.609 -0.835 -10.127 884 HD23 LEU 112 HD23 LEU 112 10.870 -1.602 -8.722 885 H GLN 113 H GLN 113 8.525 -3.383 -11.651 886 HA GLN 113 HA GLN 113 7.546 -3.375 -14.373 887 HB2 GLN 113 HB2 GLN 113 7.246 -5.488 -12.245 888 HB3 GLN 113 HB1 GLN 113 7.088 -5.703 -13.984 889 HG2 GLN 113 HG2 GLN 113 9.561 -4.850 -12.572 890 HG3 GLN 113 HG1 GLN 113 9.239 -6.521 -13.048 891 HE21 GLN 113 HE21 GLN 113 11.024 -6.619 -14.385 892 HE22 GLN 113 HE22 GLN 113 11.165 -5.767 -15.881 893 H CYS 114 H CYS 114 6.282 -1.474 -13.085 894 HA CYS 114 HA CYS 114 3.522 -2.206 -13.045 895 HB2 CYS 114 HB2 CYS 114 5.109 -1.456 -10.688 896 HB3 CYS 114 HB1 CYS 114 3.401 -0.960 -10.689 897 H SER 115 H SER 115 2.248 -0.202 -12.999 898 HA SER 115 HA SER 115 3.665 2.311 -13.113 899 HB2 SER 115 HB2 SER 115 1.949 1.307 -15.411 900 HB3 SER 115 HB1 SER 115 2.633 2.928 -15.264 901 HG SER 115 HG SER 115 4.494 0.971 -14.961 902 H ILE 116 H ILE 116 2.364 3.933 -12.314 903 HA ILE 116 HA ILE 116 -0.344 3.099 -11.612 904 HB ILE 116 HB ILE 116 1.449 5.094 -10.164 905 HG12 ILE 116 HG12 ILE 116 0.435 2.399 -9.266 906 HG13 ILE 116 HG11 ILE 116 2.035 2.647 -9.954 907 HG21 ILE 116 HG21 ILE 116 -0.939 5.703 -10.029 908 HG22 ILE 116 HG22 ILE 116 -0.342 5.144 -8.466 909 HG23 ILE 116 HG23 ILE 116 -1.323 4.075 -9.467 910 HD11 ILE 116 HD11 ILE 116 0.966 3.821 -7.389 911 HD12 ILE 116 HD12 ILE 116 2.593 4.062 -8.056 912 HD13 ILE 116 HD13 ILE 116 2.073 2.455 -7.560 Start of MODEL 9 1 H1 GLY 1 H GLY 1 9.006 -18.878 -4.204 2 H2 GLY 1 HT1 GLY 1 9.950 -19.246 -4.038 3 H3 GLY 1 HT2 GLY 1 8.721 -18.461 -4.873 4 HA2 GLY 1 HA1 GLY 1 9.359 -19.608 -6.902 5 HA3 GLY 1 HA2 GLY 1 10.588 -20.460 -5.975 6 H ARG 2 H ARG 2 9.187 -22.254 -6.935 7 HA ARG 2 HA ARG 2 6.769 -22.702 -5.336 8 HB2 ARG 2 HB2 ARG 2 7.859 -24.373 -7.600 9 HB3 ARG 2 HB1 ARG 2 6.297 -24.554 -6.820 10 HG2 ARG 2 HG2 ARG 2 5.812 -22.206 -7.596 11 HG3 ARG 2 HG1 ARG 2 7.229 -22.369 -8.637 12 HD2 ARG 2 HD2 ARG 2 5.288 -22.967 -9.908 13 HD3 ARG 2 HD1 ARG 2 6.203 -24.441 -9.566 14 HE ARG 2 HE ARG 2 4.392 -24.128 -7.517 15 HH11 ARG 2 HH11 ARG 2 4.284 -24.799 -10.980 16 HH12 ARG 2 HH12 ARG 2 2.749 -25.538 -10.934 17 HH21 ARG 2 HH21 ARG 2 2.320 -25.109 -7.434 18 HH22 ARG 2 HH22 ARG 2 1.581 -25.718 -8.832 19 H CYS 3 H CYS 3 6.549 -24.345 -3.937 20 HA CYS 3 HA CYS 3 9.012 -25.810 -3.352 21 HB2 CYS 3 HB2 CYS 3 6.841 -24.981 -1.430 22 HB3 CYS 3 HB1 CYS 3 8.317 -25.842 -1.044 23 H THR 4 H THR 4 8.804 -27.948 -2.768 24 HA THR 4 HA THR 4 6.549 -29.309 -3.928 25 HB THR 4 HB THR 4 7.872 -31.342 -3.398 26 HG1 THR 4 HG1 THR 4 9.780 -31.187 -2.372 27 HG21 THR 4 HG21 THR 4 8.403 -30.144 -5.486 28 HG22 THR 4 HG22 THR 4 9.858 -30.854 -4.768 29 HG23 THR 4 HG23 THR 4 9.548 -29.134 -4.598 30 H LYS 5 H LYS 5 5.236 -30.867 -2.674 31 HA LYS 5 HA LYS 5 4.877 -30.066 0.052 32 HB2 LYS 5 HB2 LYS 5 3.414 -32.012 -1.712 33 HB3 LYS 5 HB1 LYS 5 3.205 -32.090 0.026 34 HG2 LYS 5 HG2 LYS 5 1.410 -30.826 -0.939 35 HG3 LYS 5 HG1 LYS 5 2.418 -29.760 0.017 36 HD2 LYS 5 HD2 LYS 5 3.529 -29.038 -2.104 37 HD3 LYS 5 HD1 LYS 5 2.341 -30.003 -2.986 38 HE2 LYS 5 HE2 LYS 5 1.583 -27.710 -2.916 39 HE3 LYS 5 HE1 LYS 5 0.539 -28.705 -1.904 40 HZ1 LYS 5 HZ1 LYS 5 1.098 -26.646 -0.802 41 HZ2 LYS 5 HZ2 LYS 5 2.730 -26.941 -0.937 42 HZ3 LYS 5 HZ3 LYS 5 1.788 -27.918 0.054 43 H SER 6 H SER 6 6.935 -30.526 0.623 44 HA SER 6 HA SER 6 7.318 -33.267 1.541 45 HB2 SER 6 HB2 SER 6 8.681 -32.966 -0.454 46 HB3 SER 6 HB1 SER 6 9.379 -31.483 0.187 47 HG SER 6 HG SER 6 10.690 -32.632 1.384 48 H ILE 7 H ILE 7 8.643 -33.283 3.424 49 HA ILE 7 HA ILE 7 9.013 -30.677 4.707 50 HB ILE 7 HB ILE 7 8.016 -33.210 6.060 51 HG12 ILE 7 HG12 ILE 7 6.312 -31.919 4.787 52 HG13 ILE 7 HG11 ILE 7 5.956 -31.984 6.516 53 HG21 ILE 7 HG21 ILE 7 9.576 -32.064 7.527 54 HG22 ILE 7 HG22 ILE 7 7.932 -31.893 8.146 55 HG23 ILE 7 HG23 ILE 7 8.706 -30.548 7.306 56 HD11 ILE 7 HD11 ILE 7 5.482 -29.790 5.606 57 HD12 ILE 7 HD12 ILE 7 7.119 -29.664 4.969 58 HD13 ILE 7 HD13 ILE 7 6.852 -29.682 6.713 59 HA PRO 8 HA PRO 8 10.486 -29.471 5.144 60 HB2 PRO 8 HB2 PRO 8 13.223 -29.132 4.128 61 HB3 PRO 8 HB1 PRO 8 12.456 -28.403 5.542 62 HG2 PRO 8 HG2 PRO 8 14.366 -30.251 5.811 63 HG3 PRO 8 HG1 PRO 8 12.987 -30.176 6.923 64 HD2 PRO 8 HD2 PRO 8 13.392 -31.981 4.551 65 HD3 PRO 8 HD1 PRO 8 12.863 -32.399 6.197 66 HA PRO 9 HA PRO 9 9.494 -29.527 0.884 67 HB2 PRO 9 HB2 PRO 9 9.165 -26.896 0.368 68 HB3 PRO 9 HB1 PRO 9 8.011 -27.836 1.324 69 HG2 PRO 9 HG2 PRO 9 10.231 -26.053 2.221 70 HG3 PRO 9 HG1 PRO 9 8.561 -26.124 2.833 71 HD2 PRO 9 HD2 PRO 9 10.603 -27.302 4.126 72 HD3 PRO 9 HD1 PRO 9 8.988 -28.041 4.074 73 H ILE 10 H ILE 10 10.347 -29.230 -1.184 74 HA ILE 10 HA ILE 10 13.056 -28.138 -1.321 75 HB ILE 10 HB ILE 10 11.471 -29.682 -3.405 76 HG12 ILE 10 HG12 ILE 10 11.849 -31.127 -1.490 77 HG13 ILE 10 HG11 ILE 10 12.881 -31.637 -2.822 78 HG21 ILE 10 HG21 ILE 10 13.219 -28.315 -4.388 79 HG22 ILE 10 HG22 ILE 10 13.639 -30.023 -4.517 80 HG23 ILE 10 HG23 ILE 10 14.412 -29.015 -3.293 81 HD11 ILE 10 HD11 ILE 10 13.704 -30.031 -0.426 82 HD12 ILE 10 HD12 ILE 10 14.762 -30.485 -1.766 83 HD13 ILE 10 HD13 ILE 10 14.063 -31.736 -0.725 84 H CYS 11 H CYS 11 13.111 -26.045 -1.910 85 HA CYS 11 HA CYS 11 10.843 -25.090 -3.458 86 HB2 CYS 11 HB2 CYS 11 12.705 -23.564 -1.647 87 HB3 CYS 11 HB1 CYS 11 11.388 -22.864 -2.583 88 H PHE 12 H PHE 12 11.077 -24.396 -5.363 89 HA PHE 12 HA PHE 12 13.571 -24.493 -6.719 90 HB2 PHE 12 HB2 PHE 12 10.795 -23.647 -7.540 91 HB3 PHE 12 HB1 PHE 12 12.169 -23.548 -8.636 92 HD1 PHE 12 HD1 PHE 12 9.669 -25.693 -7.188 93 HD2 PHE 12 HD2 PHE 12 13.425 -25.614 -9.171 94 HE1 PHE 12 HE1 PHE 12 9.397 -28.065 -7.791 95 HE2 PHE 12 HE2 PHE 12 13.187 -27.944 -9.777 96 HZ PHE 12 HZ PHE 12 11.155 -29.208 -9.091 97 HA PRO 13 HA PRO 13 14.856 -20.356 -6.099 98 HB2 PRO 13 HB2 PRO 13 16.472 -19.939 -8.201 99 HB3 PRO 13 HB1 PRO 13 16.872 -21.106 -6.936 100 HG2 PRO 13 HG2 PRO 13 15.720 -21.586 -9.655 101 HG3 PRO 13 HG1 PRO 13 16.970 -22.501 -8.794 102 HD2 PRO 13 HD2 PRO 13 14.333 -23.258 -8.938 103 HD3 PRO 13 HD1 PRO 13 15.413 -23.742 -7.632 104 H ASP 14 H ASP 14 12.600 -21.017 -8.367 105 HA ASP 14 HA ASP 14 11.843 -18.320 -8.836 106 HB2 ASP 14 HB2 ASP 14 13.788 -18.737 -10.463 107 HB3 ASP 14 HB1 ASP 14 12.792 -19.963 -11.218 108 H GLY 15 H GLY 15 10.036 -18.770 -10.894 109 HA2 GLY 15 HA2 GLY 15 8.536 -20.400 -11.818 110 HA3 GLY 15 HA1 GLY 15 8.838 -21.406 -10.414 111 H LEU 16 H LEU 16 8.287 -18.322 -9.298 112 HA LEU 16 HA LEU 16 5.430 -18.668 -9.381 113 HB2 LEU 16 HB2 LEU 16 6.528 -20.189 -7.551 114 HB3 LEU 16 HB1 LEU 16 6.678 -18.702 -6.656 115 HG LEU 16 HG LEU 16 4.712 -20.026 -5.979 116 HD11 LEU 16 HD11 LEU 16 3.021 -18.261 -6.103 117 HD12 LEU 16 HD12 LEU 16 4.015 -17.431 -7.311 118 HD13 LEU 16 HD13 LEU 16 4.616 -17.634 -5.670 119 HD21 LEU 16 HD21 LEU 16 4.278 -21.051 -8.169 120 HD22 LEU 16 HD22 LEU 16 3.699 -19.504 -8.768 121 HD23 LEU 16 HD23 LEU 16 2.829 -20.327 -7.470 122 H ASP 17 H ASP 17 4.667 -16.701 -9.603 123 HA ASP 17 HA ASP 17 6.143 -14.525 -8.360 124 HB2 ASP 17 HB2 ASP 17 5.117 -12.999 -9.912 125 HB3 ASP 17 HB1 ASP 17 5.838 -14.325 -10.819 126 H ASN 18 H ASN 18 5.068 -13.053 -7.091 127 HA ASN 18 HA ASN 18 2.442 -13.877 -6.175 128 HB2 ASN 18 HB2 ASN 18 3.234 -13.768 -3.792 129 HB3 ASN 18 HB1 ASN 18 3.886 -15.106 -4.730 130 HD21 ASN 18 HD21 ASN 18 4.618 -12.126 -3.116 131 HD22 ASN 18 HD22 ASN 18 6.329 -12.268 -3.094 132 HA PRO 19 HA PRO 19 3.248 -9.230 -6.444 133 HB2 PRO 19 HB2 PRO 19 1.307 -8.535 -8.161 134 HB3 PRO 19 HB1 PRO 19 2.853 -9.194 -8.718 135 HG2 PRO 19 HG2 PRO 19 0.233 -10.585 -8.330 136 HG3 PRO 19 HG1 PRO 19 1.334 -10.675 -9.713 137 HD2 PRO 19 HD2 PRO 19 1.275 -12.568 -7.783 138 HD3 PRO 19 HD1 PRO 19 2.773 -12.130 -8.626 139 H ARG 20 H ARG 20 0.682 -11.153 -5.398 140 HA ARG 20 HA ARG 20 -0.787 -8.809 -4.311 141 HB2 ARG 20 HB2 ARG 20 -1.705 -11.686 -4.147 142 HB3 ARG 20 HB1 ARG 20 -2.633 -10.241 -3.805 143 HG2 ARG 20 HG2 ARG 20 -3.476 -10.929 -5.831 144 HG3 ARG 20 HG1 ARG 20 -2.249 -9.724 -6.281 145 HD2 ARG 20 HD2 ARG 20 -1.986 -11.648 -7.722 146 HD3 ARG 20 HD1 ARG 20 -0.652 -11.490 -6.547 147 HE ARG 20 HE ARG 20 -2.318 -13.163 -5.301 148 HH11 ARG 20 HH11 ARG 20 -1.057 -13.325 -8.600 149 HH12 ARG 20 HH12 ARG 20 -0.821 -15.008 -8.571 150 HH21 ARG 20 HH21 ARG 20 -1.974 -15.414 -5.252 151 HH22 ARG 20 HH22 ARG 20 -1.322 -16.233 -6.604 152 H GLY 21 H GLY 21 1.118 -11.483 -3.686 153 HA2 GLY 21 HA2 GLY 21 0.655 -11.198 -0.873 154 HA3 GLY 21 HA1 GLY 21 1.373 -12.657 -1.602 155 H CYS 22 H CYS 22 2.364 -9.631 -2.659 156 HA CYS 22 HA CYS 22 5.011 -9.969 -1.807 157 HB2 CYS 22 HB2 CYS 22 3.464 -7.688 -2.916 158 HB3 CYS 22 HB1 CYS 22 5.115 -7.500 -2.331 159 H GLN 23 H GLN 23 5.651 -9.896 0.212 160 HA GLN 23 HA GLN 23 4.353 -7.955 1.938 161 HB2 GLN 23 HB2 GLN 23 5.182 -9.291 3.849 162 HB3 GLN 23 HB1 GLN 23 4.081 -10.193 2.818 163 HG2 GLN 23 HG2 GLN 23 6.092 -11.221 1.758 164 HG3 GLN 23 HG1 GLN 23 7.071 -10.445 2.995 165 HE21 GLN 23 HE21 GLN 23 4.922 -10.843 5.016 166 HE22 GLN 23 HE22 GLN 23 5.007 -12.499 5.443 167 H ILE 24 H ILE 24 5.387 -6.219 2.109 168 HA ILE 24 HA ILE 24 8.321 -6.287 1.930 169 HB ILE 24 HB ILE 24 6.653 -3.837 1.297 170 HG12 ILE 24 HG12 ILE 24 7.328 -4.338 -1.156 171 HG13 ILE 24 HG11 ILE 24 7.499 -6.008 -0.614 172 HG21 ILE 24 HG21 ILE 24 8.944 -3.391 1.847 173 HG22 ILE 24 HG22 ILE 24 8.650 -3.082 0.132 174 HG23 ILE 24 HG23 ILE 24 9.486 -4.552 0.631 175 HD11 ILE 24 HD11 ILE 24 5.349 -5.587 -1.652 176 HD12 ILE 24 HD12 ILE 24 5.017 -4.320 -0.475 177 HD13 ILE 24 HD13 ILE 24 5.153 -6.001 0.052 178 H ARG 25 H ARG 25 9.428 -5.113 3.481 179 HA ARG 25 HA ARG 25 8.049 -4.620 5.895 180 HB2 ARG 25 HB2 ARG 25 10.268 -3.862 6.714 181 HB3 ARG 25 HB1 ARG 25 10.289 -5.470 6.010 182 HG2 ARG 25 HG2 ARG 25 11.236 -4.320 3.908 183 HG3 ARG 25 HG1 ARG 25 11.349 -2.903 4.929 184 HD2 ARG 25 HD2 ARG 25 12.773 -4.002 6.491 185 HD3 ARG 25 HD1 ARG 25 12.600 -5.535 5.638 186 HE ARG 25 HE ARG 25 13.626 -4.154 3.716 187 HH11 ARG 25 HH11 ARG 25 14.617 -4.192 7.123 188 HH12 ARG 25 HH12 ARG 25 16.178 -3.603 6.809 189 HH21 ARG 25 HH21 ARG 25 15.788 -3.392 3.311 190 HH22 ARG 25 HH22 ARG 25 16.846 -3.148 4.618 191 H ILE 26 H ILE 26 7.072 -2.826 6.532 192 HA ILE 26 HA ILE 26 6.973 -0.632 4.693 193 HB ILE 26 HB ILE 26 5.441 0.471 6.253 194 HG12 ILE 26 HG12 ILE 26 4.442 -1.093 8.106 195 HG13 ILE 26 HG11 ILE 26 5.984 -1.920 8.012 196 HG21 ILE 26 HG21 ILE 26 3.594 -1.151 6.004 197 HG22 ILE 26 HG22 ILE 26 4.799 -2.368 5.560 198 HG23 ILE 26 HG23 ILE 26 4.570 -0.942 4.544 199 HD11 ILE 26 HD11 ILE 26 5.584 0.983 8.720 200 HD12 ILE 26 HD12 ILE 26 7.132 0.140 8.655 201 HD13 ILE 26 HD13 ILE 26 5.924 -0.325 9.852 202 H GLN 27 H GLN 27 9.027 -1.375 7.118 203 HA GLN 27 HA GLN 27 9.486 1.309 7.987 204 HB2 GLN 27 HB2 GLN 27 11.349 0.447 9.282 205 HB3 GLN 27 HB1 GLN 27 9.934 -0.579 9.463 206 HG2 GLN 27 HG2 GLN 27 10.895 -2.250 8.009 207 HG3 GLN 27 HG1 GLN 27 12.263 -1.201 7.664 208 HE21 GLN 27 HE21 GLN 27 12.161 -3.894 8.887 209 HE22 GLN 27 HE22 GLN 27 12.974 -3.730 10.387 210 H GLN 28 H GLN 28 10.419 -0.569 5.306 211 HA GLN 28 HA GLN 28 12.814 0.930 4.858 212 HB2 GLN 28 HB2 GLN 28 13.159 -0.353 2.908 213 HB3 GLN 28 HB1 GLN 28 12.409 -1.424 4.079 214 HG2 GLN 28 HG2 GLN 28 10.443 -1.574 2.941 215 HG3 GLN 28 HG1 GLN 28 10.667 -0.007 2.165 216 HE21 GLN 28 HE21 GLN 28 13.266 -2.320 2.160 217 HE22 GLN 28 HE22 GLN 28 13.112 -2.712 0.498 218 H LEU 29 H LEU 29 9.508 1.337 4.354 219 HA LEU 29 HA LEU 29 9.897 3.264 2.188 220 HB2 LEU 29 HB2 LEU 29 7.363 2.215 3.391 221 HB3 LEU 29 HB1 LEU 29 7.432 3.487 2.194 222 HG LEU 29 HG LEU 29 6.930 1.703 0.919 223 HD11 LEU 29 HD11 LEU 29 8.865 2.752 0.028 224 HD12 LEU 29 HD12 LEU 29 8.907 1.027 -0.364 225 HD13 LEU 29 HD13 LEU 29 9.923 1.683 0.932 226 HD21 LEU 29 HD21 LEU 29 8.699 0.013 2.664 227 HD22 LEU 29 HD22 LEU 29 7.860 -0.585 1.227 228 HD23 LEU 29 HD23 LEU 29 6.939 0.020 2.609 229 H ASN 30 H ASN 30 10.145 3.251 5.301 230 HA ASN 30 HA ASN 30 8.649 5.318 6.332 231 HB2 ASN 30 HB2 ASN 30 10.048 3.909 7.736 232 HB3 ASN 30 HB1 ASN 30 11.496 4.570 6.995 233 HD21 ASN 30 HD21 ASN 30 8.828 5.225 9.108 234 HD22 ASN 30 HD22 ASN 30 9.504 6.617 9.862 235 H HIS 31 H HIS 31 11.586 5.566 4.370 236 HA HIS 31 HA HIS 31 11.952 8.357 4.869 237 HB2 HIS 31 HB2 HIS 31 13.707 6.653 3.891 238 HB3 HIS 31 HB1 HIS 31 12.869 7.005 2.373 239 HD1 HIS 31 HD1 HIS 31 15.812 8.031 4.009 240 HD2 HIS 31 HD2 HIS 31 12.754 10.025 2.017 241 HE1 HIS 31 HE1 HIS 31 16.742 10.242 3.349 242 H CYS 32 H CYS 32 10.713 6.563 2.053 243 HA CYS 32 HA CYS 32 9.872 8.736 0.545 244 HB2 CYS 32 HB2 CYS 32 9.412 5.849 0.546 245 HB3 CYS 32 HB1 CYS 32 8.048 6.753 -0.147 246 H GLN 33 H GLN 33 8.025 6.824 2.900 247 HA GLN 33 HA GLN 33 5.635 8.099 2.819 248 HB2 GLN 33 HB2 GLN 33 5.865 6.148 4.024 249 HB3 GLN 33 HB1 GLN 33 7.188 6.783 4.997 250 HG2 GLN 33 HG2 GLN 33 5.683 8.353 5.965 251 HG3 GLN 33 HG1 GLN 33 4.287 7.616 5.146 252 HE21 GLN 33 HE21 GLN 33 7.065 6.053 6.643 253 HE22 GLN 33 HE22 GLN 33 6.168 5.215 7.865 254 H MET 34 H MET 34 8.383 8.903 4.999 255 HA MET 34 HA MET 34 6.975 11.102 6.121 256 HB2 MET 34 HB2 MET 34 9.045 11.784 7.220 257 HB3 MET 34 HB1 MET 34 8.687 10.076 7.469 258 HG2 MET 34 HG2 MET 34 10.432 9.455 5.960 259 HG3 MET 34 HG1 MET 34 10.672 11.129 5.467 260 HE1 MET 34 HE1 MET 34 10.770 8.690 8.556 261 HE2 MET 34 HE2 MET 34 9.958 10.124 9.196 262 HE3 MET 34 HE3 MET 34 11.571 9.697 9.757 263 H HIS 35 H HIS 35 9.366 10.894 3.629 264 HA HIS 35 HA HIS 35 9.786 13.696 3.475 265 HB2 HIS 35 HB2 HIS 35 11.116 11.571 2.502 266 HB3 HIS 35 HB1 HIS 35 10.262 12.079 1.050 267 HD1 HIS 35 HD1 HIS 35 10.518 15.128 1.124 268 HD2 HIS 35 HD2 HIS 35 13.545 12.526 2.307 269 HE1 HIS 35 HE1 HIS 35 12.664 16.432 0.934 270 H LEU 36 H LEU 36 7.435 11.549 2.053 271 HA LEU 36 HA LEU 36 6.520 13.621 0.264 272 HB2 LEU 36 HB2 LEU 36 5.415 10.890 0.813 273 HB3 LEU 36 HB1 LEU 36 4.721 12.044 -0.326 274 HG LEU 36 HG LEU 36 7.451 10.753 -0.489 275 HD11 LEU 36 HD11 LEU 36 4.998 10.347 -2.175 276 HD12 LEU 36 HD12 LEU 36 5.666 9.209 -1.004 277 HD13 LEU 36 HD13 LEU 36 6.577 9.616 -2.458 278 HD21 LEU 36 HD21 LEU 36 6.115 12.675 -2.395 279 HD22 LEU 36 HD22 LEU 36 7.603 11.792 -2.721 280 HD23 LEU 36 HD23 LEU 36 7.560 12.989 -1.430 281 H THR 37 H THR 37 5.663 12.467 3.443 282 HA THR 37 HA THR 37 3.199 13.926 3.197 283 HB THR 37 HB THR 37 2.836 13.297 5.581 284 HG1 THR 37 HG1 THR 37 4.935 11.431 5.221 285 HG21 THR 37 HG21 THR 37 3.506 11.147 3.628 286 HG22 THR 37 HG22 THR 37 1.956 11.991 3.761 287 HG23 THR 37 HG23 THR 37 2.506 10.919 5.062 288 H SER 38 H SER 38 6.324 14.466 4.208 289 HA SER 38 HA SER 38 5.704 16.938 5.595 290 HB2 SER 38 HB2 SER 38 8.305 15.582 4.940 291 HB3 SER 38 HB1 SER 38 8.149 17.033 5.958 292 HG SER 38 HG SER 38 7.317 14.387 6.390 293 H PHE 39 H PHE 39 6.166 18.972 4.712 294 HA PHE 39 HA PHE 39 6.869 18.922 1.894 295 HB2 PHE 39 HB2 PHE 39 5.267 20.873 3.509 296 HB3 PHE 39 HB1 PHE 39 5.978 21.325 1.964 297 HD1 PHE 39 HD1 PHE 39 3.104 20.012 3.535 298 HD2 PHE 39 HD2 PHE 39 5.494 19.685 0.023 299 HE1 PHE 39 HE1 PHE 39 1.215 19.051 2.326 300 HE2 PHE 39 HE2 PHE 39 3.596 18.725 -1.180 301 HZ PHE 39 HZ PHE 39 1.462 18.415 -0.043 302 H ASP 40 H ASP 40 8.694 19.755 1.271 303 HA ASP 40 HA ASP 40 10.671 20.538 3.002 304 HB2 ASP 40 HB2 ASP 40 10.822 19.641 0.697 305 HB3 ASP 40 HB1 ASP 40 10.438 21.259 0.091 306 H TYR 41 H TYR 41 11.546 22.498 3.233 307 HA TYR 41 HA TYR 41 9.630 24.756 3.054 308 HB2 TYR 41 HB2 TYR 41 10.171 25.447 5.323 309 HB3 TYR 41 HB1 TYR 41 9.661 23.757 5.283 310 HD1 TYR 41 HD1 TYR 41 11.490 21.979 5.266 311 HD2 TYR 41 HD2 TYR 41 12.183 26.011 6.378 312 HE1 TYR 41 HE1 TYR 41 13.516 21.300 6.392 313 HE2 TYR 41 HE2 TYR 41 14.238 25.341 7.534 314 HH TYR 41 HH TYR 41 15.149 23.323 8.556 315 H LYS 42 H LYS 42 12.912 23.682 2.941 316 HA LYS 42 HA LYS 42 13.821 26.406 2.834 317 HB2 LYS 42 HB2 LYS 42 16.057 25.599 3.102 318 HB3 LYS 42 HB1 LYS 42 14.999 24.796 4.247 319 HG2 LYS 42 HG2 LYS 42 16.034 23.564 1.699 320 HG3 LYS 42 HG1 LYS 42 16.753 23.349 3.283 321 HD2 LYS 42 HD2 LYS 42 14.449 22.368 3.983 322 HD3 LYS 42 HD1 LYS 42 14.097 22.358 2.261 323 HE2 LYS 42 HE2 LYS 42 16.022 21.005 1.794 324 HE3 LYS 42 HE1 LYS 42 16.522 21.040 3.479 325 HZ1 LYS 42 HZ1 LYS 42 15.438 18.983 2.894 326 HZ2 LYS 42 HZ2 LYS 42 14.066 19.819 2.385 327 HZ3 LYS 42 HZ3 LYS 42 14.507 19.823 4.031 328 H LEU 43 H LEU 43 12.464 24.580 0.736 329 HA LEU 43 HA LEU 43 13.783 24.428 -1.597 330 HB2 LEU 43 HB2 LEU 43 10.983 25.473 -1.178 331 HB3 LEU 43 HB1 LEU 43 11.620 25.036 -2.743 332 HG LEU 43 HG LEU 43 11.353 23.095 -0.454 333 HD11 LEU 43 HD11 LEU 43 9.160 23.949 -1.081 334 HD12 LEU 43 HD12 LEU 43 9.352 22.282 -1.620 335 HD13 LEU 43 HD13 LEU 43 9.494 23.606 -2.778 336 HD21 LEU 43 HD21 LEU 43 12.983 22.469 -2.173 337 HD22 LEU 43 HD22 LEU 43 11.754 22.691 -3.419 338 HD23 LEU 43 HD23 LEU 43 11.570 21.418 -2.213 339 H ARG 44 H ARG 44 15.102 26.000 -2.515 340 HA ARG 44 HA ARG 44 14.224 28.792 -2.435 341 HB2 ARG 44 HB2 ARG 44 16.969 27.633 -3.002 342 HB3 ARG 44 HB1 ARG 44 16.577 29.335 -3.087 343 HG2 ARG 44 HG2 ARG 44 16.376 27.671 -0.578 344 HG3 ARG 44 HG1 ARG 44 17.786 28.626 -1.023 345 HD2 ARG 44 HD2 ARG 44 16.510 29.912 0.531 346 HD3 ARG 44 HD1 ARG 44 16.300 30.641 -1.056 347 HE ARG 44 HE ARG 44 14.289 28.766 -0.097 348 HH11 ARG 44 HH11 ARG 44 15.163 32.114 -0.814 349 HH12 ARG 44 HH12 ARG 44 13.565 32.695 -0.733 350 HH21 ARG 44 HH21 ARG 44 12.107 29.598 0.096 351 HH22 ARG 44 HH22 ARG 44 11.802 31.242 -0.200 352 H MET 45 H MET 45 16.321 27.087 -4.721 353 HA MET 45 HA MET 45 14.646 28.100 -6.909 354 HB2 MET 45 HB2 MET 45 17.507 27.123 -6.881 355 HB3 MET 45 HB1 MET 45 16.630 27.509 -8.351 356 HG2 MET 45 HG2 MET 45 16.397 29.814 -7.625 357 HG3 MET 45 HG1 MET 45 17.227 29.437 -6.117 358 HE1 MET 45 HE1 MET 45 18.068 31.806 -8.119 359 HE2 MET 45 HE2 MET 45 19.824 31.644 -8.092 360 HE3 MET 45 HE3 MET 45 18.899 31.477 -6.600 361 H ALA 46 H ALA 46 14.866 25.506 -5.092 362 HA ALA 46 HA ALA 46 14.910 23.405 -6.981 363 HB1 ALA 46 HB1 ALA 46 15.506 23.023 -4.650 364 HB2 ALA 46 HB2 ALA 46 14.162 21.986 -5.134 365 HB3 ALA 46 HB3 ALA 46 13.862 23.425 -4.157 366 H VAL 47 H VAL 47 13.494 23.401 -8.510 367 HA VAL 47 HA VAL 47 10.631 23.599 -7.813 368 HB VAL 47 HB VAL 47 11.832 23.850 -10.592 369 HG11 VAL 47 HG11 VAL 47 9.093 24.520 -9.566 370 HG12 VAL 47 HG12 VAL 47 9.532 23.157 -10.595 371 HG13 VAL 47 HG13 VAL 47 9.675 24.806 -11.207 372 HG21 VAL 47 HG21 VAL 47 11.465 26.273 -10.430 373 HG22 VAL 47 HG22 VAL 47 12.635 25.709 -9.236 374 HG23 VAL 47 HG23 VAL 47 10.984 26.078 -8.745 375 H GLU 48 H GLU 48 12.662 22.047 -10.283 376 HA GLU 48 HA GLU 48 11.603 19.413 -9.551 377 HB2 GLU 48 HB2 GLU 48 11.967 20.495 -12.361 378 HB3 GLU 48 HB1 GLU 48 11.699 18.802 -11.992 379 HG2 GLU 48 HG2 GLU 48 9.518 19.454 -10.973 380 HG3 GLU 48 HG1 GLU 48 9.794 21.088 -11.576 381 H ASN 49 H ASN 49 13.866 20.794 -8.775 382 HA ASN 49 HA ASN 49 16.202 20.317 -10.224 383 HB2 ASN 49 HB2 ASN 49 15.810 20.626 -7.249 384 HB3 ASN 49 HB1 ASN 49 17.386 20.543 -8.013 385 HD21 ASN 49 HD21 ASN 49 17.971 22.562 -7.372 386 HD22 ASN 49 HD22 ASN 49 17.275 23.995 -8.039 387 HA PRO 50 HA PRO 50 16.884 15.967 -9.823 388 HB2 PRO 50 HB2 PRO 50 19.659 16.043 -9.799 389 HB3 PRO 50 HB1 PRO 50 18.658 16.033 -11.254 390 HG2 PRO 50 HG2 PRO 50 19.943 18.330 -9.852 391 HG3 PRO 50 HG1 PRO 50 19.769 18.037 -11.593 392 HD2 PRO 50 HD2 PRO 50 18.214 19.781 -10.302 393 HD3 PRO 50 HD1 PRO 50 17.569 18.774 -11.612 394 H LYS 51 H LYS 51 18.303 18.299 -7.647 395 HA LYS 51 HA LYS 51 19.230 16.432 -5.710 396 HB2 LYS 51 HB2 LYS 51 18.489 19.330 -5.417 397 HB3 LYS 51 HB1 LYS 51 19.163 18.353 -4.121 398 HG2 LYS 51 HG2 LYS 51 20.491 18.932 -6.752 399 HG3 LYS 51 HG1 LYS 51 20.856 19.749 -5.229 400 HD2 LYS 51 HD2 LYS 51 21.245 16.802 -5.834 401 HD3 LYS 51 HD1 LYS 51 22.508 18.019 -5.708 402 HE2 LYS 51 HE2 LYS 51 21.975 18.356 -3.345 403 HE3 LYS 51 HE1 LYS 51 20.668 17.180 -3.466 404 HZ1 LYS 51 HZ1 LYS 51 23.546 16.583 -3.889 405 HZ2 LYS 51 HZ2 LYS 51 22.291 15.478 -4.004 406 HZ3 LYS 51 HZ3 LYS 51 22.642 16.185 -2.521 407 H GLN 52 H GLN 52 16.103 17.420 -6.552 408 HA GLN 52 HA GLN 52 14.960 16.891 -3.963 409 HB2 GLN 52 HB2 GLN 52 13.698 17.176 -6.663 410 HB3 GLN 52 HB1 GLN 52 12.788 17.063 -5.160 411 HG2 GLN 52 HG2 GLN 52 13.827 19.166 -4.415 412 HG3 GLN 52 HG1 GLN 52 14.691 19.263 -5.947 413 HE21 GLN 52 HE21 GLN 52 12.367 18.198 -7.436 414 HE22 GLN 52 HE22 GLN 52 11.251 19.517 -7.504 415 H GLN 53 H GLN 53 16.163 15.060 -6.449 416 HA GLN 53 HA GLN 53 14.388 12.779 -6.161 417 HB2 GLN 53 HB2 GLN 53 16.996 13.066 -7.653 418 HB3 GLN 53 HB1 GLN 53 15.883 11.713 -7.776 419 HG2 GLN 53 HG2 GLN 53 14.218 13.088 -8.788 420 HG3 GLN 53 HG1 GLN 53 15.169 14.538 -8.489 421 HE21 GLN 53 HE21 GLN 53 16.601 11.533 -9.590 422 HE22 GLN 53 HE22 GLN 53 16.993 12.106 -11.157 423 H GLN 54 H GLN 54 16.547 14.084 -4.251 424 HA GLN 54 HA GLN 54 18.475 12.320 -3.429 425 HB2 GLN 54 HB2 GLN 54 18.179 13.367 -1.157 426 HB3 GLN 54 HB1 GLN 54 18.311 14.522 -2.477 427 HG2 GLN 54 HG2 GLN 54 15.909 14.877 -2.456 428 HG3 GLN 54 HG1 GLN 54 15.709 13.653 -1.221 429 HE21 GLN 54 HE21 GLN 54 15.007 16.509 -1.204 430 HE22 GLN 54 HE22 GLN 54 15.843 17.154 0.150 431 H HIS 55 H HIS 55 15.103 12.411 -2.406 432 HA HIS 55 HA HIS 55 15.341 10.203 -0.663 433 HB2 HIS 55 HB2 HIS 55 12.790 10.324 -0.599 434 HB3 HIS 55 HB1 HIS 55 13.664 11.730 -0.027 435 HD1 HIS 55 HD1 HIS 55 12.051 13.606 -0.548 436 HD2 HIS 55 HD2 HIS 55 12.569 11.038 -3.758 437 HE1 HIS 55 HE1 HIS 55 10.744 14.604 -2.446 438 H LEU 56 H LEU 56 14.908 10.504 -3.973 439 HA LEU 56 HA LEU 56 13.530 7.997 -4.304 440 HB2 LEU 56 HB2 LEU 56 13.103 9.840 -5.900 441 HB3 LEU 56 HB1 LEU 56 14.786 9.853 -6.352 442 HG LEU 56 HG LEU 56 13.197 8.835 -8.030 443 HD11 LEU 56 HD11 LEU 56 14.598 6.961 -8.660 444 HD12 LEU 56 HD12 LEU 56 15.379 7.011 -7.080 445 HD13 LEU 56 HD13 LEU 56 15.557 8.366 -8.193 446 HD21 LEU 56 HD21 LEU 56 12.451 6.533 -7.669 447 HD22 LEU 56 HD22 LEU 56 11.726 7.680 -6.545 448 HD23 LEU 56 HD23 LEU 56 13.032 6.622 -6.001 449 H SER 57 H SER 57 16.778 9.323 -4.862 450 HA SER 57 HA SER 57 18.058 7.060 -5.757 451 HB2 SER 57 HB2 SER 57 19.132 9.158 -3.869 452 HB3 SER 57 HB1 SER 57 20.084 8.133 -4.943 453 HG SER 57 HG SER 57 19.119 9.125 -6.699 454 H LEU 58 H LEU 58 17.147 7.973 -2.515 455 HA LEU 58 HA LEU 58 18.496 5.733 -1.290 456 HB2 LEU 58 HB2 LEU 58 16.426 7.592 -0.152 457 HB3 LEU 58 HB1 LEU 58 17.512 6.585 0.779 458 HG LEU 58 HG LEU 58 18.295 8.891 -0.977 459 HD11 LEU 58 HD11 LEU 58 17.182 9.582 1.063 460 HD12 LEU 58 HD12 LEU 58 18.897 9.984 1.133 461 HD13 LEU 58 HD13 LEU 58 18.278 8.590 2.019 462 HD21 LEU 58 HD21 LEU 58 20.553 8.601 -0.004 463 HD22 LEU 58 HD22 LEU 58 20.052 7.219 -0.973 464 HD23 LEU 58 HD23 LEU 58 20.002 7.123 0.788 465 H CYS 59 H CYS 59 15.081 6.667 -1.678 466 HA CYS 59 HA CYS 59 13.881 4.389 -0.597 467 HB2 CYS 59 HB2 CYS 59 12.875 6.607 -1.053 468 HB3 CYS 59 HB1 CYS 59 12.824 6.203 -2.759 469 H CYS 60 H CYS 60 14.536 5.158 -4.074 470 HA CYS 60 HA CYS 60 13.533 2.811 -5.161 471 HB2 CYS 60 HB2 CYS 60 14.041 4.705 -6.579 472 HB3 CYS 60 HB1 CYS 60 15.735 4.646 -6.132 473 H ASN 61 H ASN 61 16.633 3.493 -3.696 474 HA ASN 61 HA ASN 61 17.805 1.061 -4.673 475 HB2 ASN 61 HB2 ASN 61 19.129 3.005 -4.249 476 HB3 ASN 61 HB1 ASN 61 18.784 2.941 -2.529 477 HD21 ASN 61 HD21 ASN 61 19.945 1.500 -1.235 478 HD22 ASN 61 HD22 ASN 61 21.229 0.533 -1.841 479 H GLN 62 H GLN 62 16.041 2.048 -1.989 480 HA GLN 62 HA GLN 62 16.681 -0.188 -0.347 481 HB2 GLN 62 HB2 GLN 62 16.161 1.967 0.639 482 HB3 GLN 62 HB1 GLN 62 14.622 2.009 -0.190 483 HG2 GLN 62 HG2 GLN 62 14.321 1.540 2.139 484 HG3 GLN 62 HG1 GLN 62 13.855 0.160 1.143 485 HE21 GLN 62 HE21 GLN 62 16.188 1.395 3.381 486 HE22 GLN 62 HE22 GLN 62 16.888 -0.127 3.782 487 H LEU 63 H LEU 63 13.920 0.825 -2.251 488 HA LEU 63 HA LEU 63 12.361 -1.450 -1.668 489 HB2 LEU 63 HB2 LEU 63 10.818 -0.571 -3.299 490 HB3 LEU 63 HB1 LEU 63 11.512 0.776 -2.428 491 HG LEU 63 HG LEU 63 13.147 0.883 -4.430 492 HD11 LEU 63 HD11 LEU 63 12.318 -1.104 -5.507 493 HD12 LEU 63 HD12 LEU 63 12.156 0.342 -6.508 494 HD13 LEU 63 HD13 LEU 63 10.734 -0.342 -5.694 495 HD21 LEU 63 HD21 LEU 63 11.785 2.666 -3.790 496 HD22 LEU 63 HD22 LEU 63 10.332 1.846 -4.370 497 HD23 LEU 63 HD23 LEU 63 11.561 2.411 -5.529 498 H GLN 64 H GLN 64 14.737 -0.732 -4.129 499 HA GLN 64 HA GLN 64 13.997 -2.850 -5.841 500 HB2 GLN 64 HB2 GLN 64 15.888 -2.315 -7.178 501 HB3 GLN 64 HB1 GLN 64 15.252 -0.818 -6.498 502 HG2 GLN 64 HG2 GLN 64 16.918 -0.662 -4.949 503 HG3 GLN 64 HG1 GLN 64 17.572 -2.269 -5.316 504 HE21 GLN 64 HE21 GLN 64 19.080 0.209 -5.474 505 HE22 GLN 64 HE22 GLN 64 19.493 0.448 -7.130 506 H GLU 65 H GLU 65 15.636 -2.958 -2.900 507 HA GLU 65 HA GLU 65 17.066 -5.324 -3.646 508 HB2 GLU 65 HB2 GLU 65 16.689 -4.094 -0.929 509 HB3 GLU 65 HB1 GLU 65 17.637 -5.550 -1.203 510 HG2 GLU 65 HG2 GLU 65 19.046 -4.186 -2.780 511 HG3 GLU 65 HG1 GLU 65 18.192 -2.765 -2.178 512 H VAL 66 H VAL 66 14.026 -4.522 -2.772 513 HA VAL 66 HA VAL 66 13.157 -7.094 -1.708 514 HB VAL 66 HB VAL 66 11.452 -4.884 -2.933 515 HG11 VAL 66 HG11 VAL 66 9.657 -5.692 -1.538 516 HG12 VAL 66 HG12 VAL 66 10.718 -6.911 -0.839 517 HG13 VAL 66 HG13 VAL 66 10.284 -6.999 -2.549 518 HG21 VAL 66 HG21 VAL 66 12.336 -5.119 -0.073 519 HG22 VAL 66 HG22 VAL 66 11.149 -3.967 -0.710 520 HG23 VAL 66 HG23 VAL 66 12.824 -3.887 -1.246 521 H GLU 67 H GLU 67 11.608 -8.457 -3.048 522 HA GLU 67 HA GLU 67 12.453 -9.176 -5.567 523 HB2 GLU 67 HB2 GLU 67 9.866 -9.422 -4.192 524 HB3 GLU 67 HB1 GLU 67 9.956 -9.863 -5.894 525 HG2 GLU 67 HG2 GLU 67 11.511 -10.976 -3.619 526 HG3 GLU 67 HG1 GLU 67 10.236 -11.752 -4.622 527 H LYS 68 H LYS 68 11.621 -8.914 -7.573 528 HA LYS 68 HA LYS 68 11.510 -6.143 -8.186 529 HB2 LYS 68 HB2 LYS 68 11.233 -6.764 -10.537 530 HB3 LYS 68 HB1 LYS 68 12.624 -7.528 -9.822 531 HG2 LYS 68 HG2 LYS 68 11.406 -9.611 -9.677 532 HG3 LYS 68 HG1 LYS 68 9.969 -8.831 -10.356 533 HD2 LYS 68 HD2 LYS 68 11.087 -9.948 -12.160 534 HD3 LYS 68 HD1 LYS 68 11.352 -8.199 -12.282 535 HE2 LYS 68 HE2 LYS 68 13.578 -8.422 -11.333 536 HE3 LYS 68 HE1 LYS 68 13.340 -10.161 -11.154 537 HZ1 LYS 68 HZ1 LYS 68 14.609 -9.647 -13.150 538 HZ2 LYS 68 HZ2 LYS 68 13.353 -8.677 -13.722 539 HZ3 LYS 68 HZ3 LYS 68 13.125 -10.315 -13.558 540 H GLN 69 H GLN 69 9.069 -8.581 -8.162 541 HA GLN 69 HA GLN 69 7.016 -6.926 -9.300 542 HB2 GLN 69 HB2 GLN 69 5.536 -8.770 -8.686 543 HB3 GLN 69 HB1 GLN 69 6.997 -9.363 -9.466 544 HG2 GLN 69 HG2 GLN 69 7.916 -9.749 -7.131 545 HG3 GLN 69 HG1 GLN 69 6.283 -9.460 -6.562 546 HE21 GLN 69 HE21 GLN 69 7.950 -11.815 -6.457 547 HE22 GLN 69 HE22 GLN 69 7.093 -13.089 -7.202 548 H CYS 70 H CYS 70 8.412 -7.289 -6.251 549 HA CYS 70 HA CYS 70 6.106 -6.271 -4.840 550 HB2 CYS 70 HB2 CYS 70 8.717 -7.339 -3.814 551 HB3 CYS 70 HB1 CYS 70 7.310 -6.945 -2.821 552 H GLN 71 H GLN 71 9.008 -5.255 -6.244 553 HA GLN 71 HA GLN 71 9.778 -3.093 -4.609 554 HB2 GLN 71 HB2 GLN 71 9.933 -3.496 -7.583 555 HB3 GLN 71 HB1 GLN 71 10.737 -2.166 -6.738 556 HG2 GLN 71 HG2 GLN 71 12.059 -3.791 -5.505 557 HG3 GLN 71 HG1 GLN 71 11.264 -5.114 -6.354 558 HE21 GLN 71 HE21 GLN 71 12.346 -2.069 -7.741 559 HE22 GLN 71 HE22 GLN 71 13.531 -2.728 -8.785 560 H CYS 72 H CYS 72 7.359 -3.376 -7.150 561 HA CYS 72 HA CYS 72 6.651 -0.624 -6.827 562 HB2 CYS 72 HB2 CYS 72 4.724 -1.235 -8.352 563 HB3 CYS 72 HB1 CYS 72 6.366 -1.391 -8.971 564 H GLU 73 H GLU 73 5.748 -3.597 -5.489 565 HA GLU 73 HA GLU 73 3.273 -2.754 -4.521 566 HB2 GLU 73 HB2 GLU 73 5.069 -4.999 -3.680 567 HB3 GLU 73 HB1 GLU 73 3.506 -4.760 -2.933 568 HG2 GLU 73 HG2 GLU 73 4.038 -5.281 -5.835 569 HG3 GLU 73 HG1 GLU 73 3.340 -6.402 -4.683 570 H ALA 74 H ALA 74 6.546 -2.524 -3.387 571 HA ALA 74 HA ALA 74 6.105 -1.796 -0.742 572 HB1 ALA 74 HB1 ALA 74 8.341 -0.969 -2.602 573 HB2 ALA 74 HB2 ALA 74 8.246 -2.486 -1.715 574 HB3 ALA 74 HB3 ALA 74 8.388 -0.972 -0.829 575 H ILE 75 H ILE 75 5.862 -0.121 -3.760 576 HA ILE 75 HA ILE 75 5.911 2.550 -2.814 577 HB ILE 75 HB ILE 75 4.545 1.484 -5.283 578 HG12 ILE 75 HG12 ILE 75 6.808 0.723 -5.367 579 HG13 ILE 75 HG11 ILE 75 6.663 2.079 -6.479 580 HG21 ILE 75 HG21 ILE 75 3.931 3.752 -4.682 581 HG22 ILE 75 HG22 ILE 75 4.845 3.711 -6.179 582 HG23 ILE 75 HG23 ILE 75 5.630 4.221 -4.681 583 HD11 ILE 75 HD11 ILE 75 7.696 3.500 -4.688 584 HD12 ILE 75 HD12 ILE 75 8.703 2.212 -5.359 585 HD13 ILE 75 HD13 ILE 75 7.949 1.988 -3.781 586 H LYS 76 H LYS 76 3.488 0.070 -3.189 587 HA LYS 76 HA LYS 76 1.182 1.723 -3.094 588 HB2 LYS 76 HB2 LYS 76 1.426 -1.157 -2.177 589 HB3 LYS 76 HB1 LYS 76 -0.026 -0.339 -2.726 590 HG2 LYS 76 HG2 LYS 76 2.357 -0.956 -4.457 591 HG3 LYS 76 HG1 LYS 76 0.902 -1.946 -4.386 592 HD2 LYS 76 HD2 LYS 76 -0.386 0.016 -5.182 593 HD3 LYS 76 HD1 LYS 76 1.129 0.916 -5.287 594 HE2 LYS 76 HE2 LYS 76 0.477 0.050 -7.482 595 HE3 LYS 76 HE1 LYS 76 1.986 -0.661 -6.933 596 HZ1 LYS 76 HZ1 LYS 76 0.887 -2.731 -6.461 597 HZ2 LYS 76 HZ2 LYS 76 0.336 -2.236 -7.969 598 HZ3 LYS 76 HZ3 LYS 76 -0.640 -2.037 -6.637 599 H GLN 77 H GLN 77 3.165 -0.008 -0.857 600 HA GLN 77 HA GLN 77 1.607 0.375 1.471 601 HB2 GLN 77 HB2 GLN 77 4.578 0.155 1.570 602 HB3 GLN 77 HB1 GLN 77 3.395 -0.375 2.746 603 HG2 GLN 77 HG2 GLN 77 2.704 -1.954 0.697 604 HG3 GLN 77 HG1 GLN 77 4.368 -1.647 0.302 605 HE21 GLN 77 HE21 GLN 77 6.004 -2.083 1.768 606 HE22 GLN 77 HE22 GLN 77 5.785 -3.288 2.995 607 H VAL 78 H VAL 78 4.115 2.279 -0.091 608 HA VAL 78 HA VAL 78 4.636 4.117 1.969 609 HB VAL 78 HB VAL 78 4.438 4.974 -0.926 610 HG11 VAL 78 HG11 VAL 78 4.642 6.698 0.716 611 HG12 VAL 78 HG12 VAL 78 6.066 6.610 -0.325 612 HG13 VAL 78 HG13 VAL 78 6.115 5.945 1.324 613 HG21 VAL 78 HG21 VAL 78 6.852 3.788 0.406 614 HG22 VAL 78 HG22 VAL 78 6.743 4.374 -1.258 615 HG23 VAL 78 HG23 VAL 78 5.837 2.942 -0.753 616 H VAL 79 H VAL 79 2.180 4.030 -0.573 617 HA VAL 79 HA VAL 79 1.064 6.570 0.000 618 HB VAL 79 HB VAL 79 -0.329 4.180 -1.212 619 HG11 VAL 79 HG11 VAL 79 -1.799 5.986 -0.542 620 HG12 VAL 79 HG12 VAL 79 -1.759 5.836 -2.302 621 HG13 VAL 79 HG13 VAL 79 -0.862 7.131 -1.497 622 HG21 VAL 79 HG21 VAL 79 0.355 5.105 -3.414 623 HG22 VAL 79 HG22 VAL 79 1.701 4.536 -2.433 624 HG23 VAL 79 HG23 VAL 79 1.381 6.270 -2.566 625 H GLU 80 H GLU 80 0.220 3.298 0.728 626 HA GLU 80 HA GLU 80 -2.065 3.559 2.204 627 HB2 GLU 80 HB2 GLU 80 -1.232 1.425 1.492 628 HB3 GLU 80 HB1 GLU 80 0.201 1.609 2.486 629 HG2 GLU 80 HG2 GLU 80 -1.191 1.496 4.494 630 HG3 GLU 80 HG1 GLU 80 -2.615 1.278 3.478 631 H GLN 81 H GLN 81 1.271 3.698 3.432 632 HA GLN 81 HA GLN 81 0.166 4.129 6.027 633 HB2 GLN 81 HB2 GLN 81 2.403 4.160 6.913 634 HB3 GLN 81 HB1 GLN 81 2.060 2.706 6.011 635 HG2 GLN 81 HG2 GLN 81 3.374 3.774 4.055 636 HG3 GLN 81 HG1 GLN 81 3.777 5.032 5.197 637 HE21 GLN 81 HE21 GLN 81 5.478 3.058 3.863 638 HE22 GLN 81 HE22 GLN 81 6.352 2.289 5.160 639 H ALA 82 H ALA 82 1.611 6.092 3.601 640 HA ALA 82 HA ALA 82 2.081 8.291 5.301 641 HB1 ALA 82 HB1 ALA 82 3.249 8.011 3.181 642 HB2 ALA 82 HB2 ALA 82 2.354 9.540 3.186 643 HB3 ALA 82 HB3 ALA 82 1.724 8.149 2.311 644 H GLN 83 H GLN 83 -0.653 7.169 3.419 645 HA GLN 83 HA GLN 83 -2.089 9.580 3.742 646 HB2 GLN 83 HB2 GLN 83 -4.016 8.407 2.817 647 HB3 GLN 83 HB1 GLN 83 -2.579 8.127 1.856 648 HG2 GLN 83 HG2 GLN 83 -2.316 5.923 2.816 649 HG3 GLN 83 HG1 GLN 83 -3.705 6.184 3.858 650 HE21 GLN 83 HE21 GLN 83 -5.263 7.495 1.823 651 HE22 GLN 83 HE22 GLN 83 -5.732 6.293 0.682 652 H LYS 84 H LYS 84 -2.060 6.480 5.521 653 HA LYS 84 HA LYS 84 -4.301 7.379 7.013 654 HB2 LYS 84 HB2 LYS 84 -4.456 5.371 8.139 655 HB3 LYS 84 HB1 LYS 84 -3.558 4.909 6.703 656 HG2 LYS 84 HG2 LYS 84 -2.029 5.594 9.156 657 HG3 LYS 84 HG1 LYS 84 -2.825 4.012 9.037 658 HD2 LYS 84 HD2 LYS 84 -1.676 3.819 6.864 659 HD3 LYS 84 HD1 LYS 84 -0.806 5.291 7.322 660 HE2 LYS 84 HE2 LYS 84 -0.868 2.741 8.935 661 HE3 LYS 84 HE1 LYS 84 0.458 3.208 7.875 662 HZ1 LYS 84 HZ1 LYS 84 -0.421 4.683 10.320 663 HZ2 LYS 84 HZ2 LYS 84 0.860 5.129 9.295 664 HZ3 LYS 84 HZ3 LYS 84 0.932 3.707 10.152 665 H GLN 85 H GLN 85 -0.950 7.830 7.359 666 HA GLN 85 HA GLN 85 -1.101 8.410 10.125 667 HB2 GLN 85 HB2 GLN 85 1.201 9.147 9.982 668 HB3 GLN 85 HB1 GLN 85 0.966 7.794 8.869 669 HG2 GLN 85 HG2 GLN 85 1.142 9.066 7.007 670 HG3 GLN 85 HG1 GLN 85 0.761 10.557 7.857 671 HE21 GLN 85 HE21 GLN 85 2.372 11.602 9.028 672 HE22 GLN 85 HE22 GLN 85 4.034 11.216 8.818 673 H LEU 86 H LEU 86 -1.513 10.290 7.192 674 HA LEU 86 HA LEU 86 -1.809 12.736 8.688 675 HB2 LEU 86 HB2 LEU 86 -1.744 12.034 5.811 676 HB3 LEU 86 HB1 LEU 86 -2.666 13.462 6.203 677 HG LEU 86 HG LEU 86 -0.418 14.019 5.507 678 HD11 LEU 86 HD11 LEU 86 -0.856 14.531 8.435 679 HD12 LEU 86 HD12 LEU 86 -1.562 15.453 7.115 680 HD13 LEU 86 HD13 LEU 86 0.189 15.469 7.365 681 HD21 LEU 86 HD21 LEU 86 0.448 12.488 7.927 682 HD22 LEU 86 HD22 LEU 86 1.478 13.525 6.961 683 HD23 LEU 86 HD23 LEU 86 0.787 12.055 6.246 684 H GLN 87 H GLN 87 -3.894 10.335 7.315 685 HA GLN 87 HA GLN 87 -6.320 11.726 7.362 686 HB2 GLN 87 HB2 GLN 87 -6.039 9.612 6.185 687 HB3 GLN 87 HB1 GLN 87 -5.776 8.778 7.708 688 HG2 GLN 87 HG2 GLN 87 -8.056 9.278 8.389 689 HG3 GLN 87 HG1 GLN 87 -8.326 10.140 6.878 690 HE21 GLN 87 HE21 GLN 87 -7.880 7.018 8.350 691 HE22 GLN 87 HE22 GLN 87 -8.416 6.103 6.985 692 H GLN 88 H GLN 88 -4.621 9.989 9.879 693 HA GLN 88 HA GLN 88 -6.917 10.124 11.668 694 HB2 GLN 88 HB2 GLN 88 -5.625 8.808 13.186 695 HB3 GLN 88 HB1 GLN 88 -5.584 8.115 11.558 696 HG2 GLN 88 HG2 GLN 88 -3.339 9.135 11.268 697 HG3 GLN 88 HG1 GLN 88 -3.396 9.633 12.958 698 HE21 GLN 88 HE21 GLN 88 -3.145 7.013 10.781 699 HE22 GLN 88 HE22 GLN 88 -2.609 5.816 11.914 700 H GLY 89 H GLY 89 -4.789 12.235 10.817 701 HA2 GLY 89 HA2 GLY 89 -4.377 13.358 13.499 702 HA3 GLY 89 HA1 GLY 89 -3.502 13.873 12.064 703 H GLN 90 H GLN 90 -4.014 15.868 11.677 704 HA GLN 90 HA GLN 90 -6.684 16.938 12.279 705 HB2 GLN 90 HB2 GLN 90 -5.647 19.117 11.823 706 HB3 GLN 90 HB1 GLN 90 -4.780 18.199 13.058 707 HG2 GLN 90 HG2 GLN 90 -3.075 17.595 11.470 708 HG3 GLN 90 HG1 GLN 90 -3.958 18.390 10.169 709 HE21 GLN 90 HE21 GLN 90 -3.963 20.606 10.083 710 HE22 GLN 90 HE22 GLN 90 -2.833 21.571 10.955 711 H GLY 91 H GLY 91 -5.038 15.621 9.790 712 HA2 GLY 91 HA2 GLY 91 -6.357 15.347 7.666 713 HA3 GLY 91 HA1 GLY 91 -6.561 17.098 7.765 714 H GLY 92 H GLY 92 -5.472 17.439 5.769 715 HA2 GLY 92 HA2 GLY 92 -3.288 18.304 5.168 716 HA3 GLY 92 HA1 GLY 92 -2.589 16.944 6.019 717 H GLN 93 H GLN 93 -4.873 15.362 4.907 718 HA GLN 93 HA GLN 93 -3.501 13.927 2.975 719 HB2 GLN 93 HB2 GLN 93 -6.486 14.250 3.174 720 HB3 GLN 93 HB1 GLN 93 -5.641 12.931 2.377 721 HG2 GLN 93 HG2 GLN 93 -4.750 12.227 4.539 722 HG3 GLN 93 HG1 GLN 93 -5.611 13.559 5.317 723 HE21 GLN 93 HE21 GLN 93 -7.889 13.496 5.414 724 HE22 GLN 93 HE22 GLN 93 -8.729 12.010 5.174 725 H GLN 94 H GLN 94 -5.669 16.634 2.591 726 HA GLN 94 HA GLN 94 -5.755 16.494 -0.273 727 HB2 GLN 94 HB2 GLN 94 -6.905 18.647 -0.139 728 HB3 GLN 94 HB1 GLN 94 -7.621 17.429 0.914 729 HG2 GLN 94 HG2 GLN 94 -6.520 18.392 2.822 730 HG3 GLN 94 HG1 GLN 94 -5.688 19.531 1.780 731 HE21 GLN 94 HE21 GLN 94 -8.769 18.641 3.137 732 HE22 GLN 94 HE22 GLN 94 -9.565 20.129 2.824 733 H GLN 95 H GLN 95 -3.812 18.261 2.061 734 HA GLN 95 HA GLN 95 -2.718 19.898 -0.044 735 HB2 GLN 95 HB2 GLN 95 -1.296 20.941 1.620 736 HB3 GLN 95 HB1 GLN 95 -2.985 20.916 2.194 737 HG2 GLN 95 HG2 GLN 95 -2.415 19.097 3.607 738 HG3 GLN 95 HG1 GLN 95 -0.755 19.108 3.057 739 HE21 GLN 95 HE21 GLN 95 -1.661 19.510 5.779 740 HE22 GLN 95 HE22 GLN 95 -1.142 21.066 6.259 741 H VAL 96 H VAL 96 -1.718 17.401 2.045 742 HA VAL 96 HA VAL 96 0.895 16.900 1.073 743 HB VAL 96 HB VAL 96 -1.006 14.966 2.490 744 HG11 VAL 96 HG11 VAL 96 1.932 14.810 2.046 745 HG12 VAL 96 HG12 VAL 96 0.694 13.706 1.429 746 HG13 VAL 96 HG13 VAL 96 1.021 13.793 3.167 747 HG21 VAL 96 HG21 VAL 96 0.305 15.559 4.508 748 HG22 VAL 96 HG22 VAL 96 -0.651 16.873 3.872 749 HG23 VAL 96 HG23 VAL 96 1.100 16.843 3.584 750 H GLN 97 H GLN 97 -2.197 16.121 -0.160 751 HA GLN 97 HA GLN 97 -1.987 13.891 -1.692 752 HB2 GLN 97 HB2 GLN 97 -3.969 15.277 -1.489 753 HB3 GLN 97 HB1 GLN 97 -3.217 16.518 -2.471 754 HG2 GLN 97 HG2 GLN 97 -3.183 15.032 -4.353 755 HG3 GLN 97 HG1 GLN 97 -3.918 13.746 -3.409 756 HE21 GLN 97 HE21 GLN 97 -4.372 16.722 -5.040 757 HE22 GLN 97 HE22 GLN 97 -6.084 16.869 -4.882 758 H GLN 98 H GLN 98 -0.833 17.119 -2.606 759 HA GLN 98 HA GLN 98 -0.025 16.465 -5.222 760 HB2 GLN 98 HB2 GLN 98 1.173 18.560 -5.214 761 HB3 GLN 98 HB1 GLN 98 -0.403 18.767 -4.468 762 HG2 GLN 98 HG2 GLN 98 0.651 18.625 -2.264 763 HG3 GLN 98 HG1 GLN 98 2.225 18.484 -3.041 764 HE21 GLN 98 HE21 GLN 98 -0.372 20.541 -2.245 765 HE22 GLN 98 HE22 GLN 98 0.378 22.033 -2.695 766 H MET 99 H MET 99 1.450 15.735 -2.213 767 HA MET 99 HA MET 99 4.077 15.458 -3.467 768 HB2 MET 99 HB2 MET 99 3.359 16.452 -1.021 769 HB3 MET 99 HB1 MET 99 3.685 14.790 -0.642 770 HG2 MET 99 HG2 MET 99 5.633 16.128 -0.274 771 HG3 MET 99 HG1 MET 99 5.903 14.895 -1.514 772 HE1 MET 99 HE1 MET 99 7.822 17.451 -1.000 773 HE2 MET 99 HE2 MET 99 8.184 17.907 -2.666 774 HE3 MET 99 HE3 MET 99 8.146 16.204 -2.204 775 H VAL 100 H VAL 100 1.697 13.688 -1.585 776 HA VAL 100 HA VAL 100 3.022 11.227 -1.897 777 HB VAL 100 HB VAL 100 1.379 11.449 -0.114 778 HG11 VAL 100 HG11 VAL 100 -0.691 11.672 -2.272 779 HG12 VAL 100 HG12 VAL 100 -0.142 12.940 -1.169 780 HG13 VAL 100 HG13 VAL 100 -1.011 11.538 -0.533 781 HG21 VAL 100 HG21 VAL 100 0.533 9.414 -2.147 782 HG22 VAL 100 HG22 VAL 100 0.067 9.378 -0.441 783 HG23 VAL 100 HG23 VAL 100 1.769 9.199 -0.909 784 H LYS 101 H LYS 101 0.868 12.932 -4.079 785 HA LYS 101 HA LYS 101 0.398 10.778 -5.780 786 HB2 LYS 101 HB2 LYS 101 -0.262 12.359 -7.450 787 HB3 LYS 101 HB1 LYS 101 -0.756 12.941 -5.862 788 HG2 LYS 101 HG2 LYS 101 -0.055 14.875 -6.838 789 HG3 LYS 101 HG1 LYS 101 1.415 14.338 -6.021 790 HD2 LYS 101 HD2 LYS 101 2.348 13.518 -8.060 791 HD3 LYS 101 HD1 LYS 101 0.816 13.704 -8.911 792 HE2 LYS 101 HE2 LYS 101 2.224 15.482 -9.596 793 HE3 LYS 101 HE1 LYS 101 1.003 16.165 -8.532 794 HZ1 LYS 101 HZ1 LYS 101 2.720 16.169 -6.734 795 HZ2 LYS 101 HZ2 LYS 101 3.128 17.089 -8.076 796 HZ3 LYS 101 HZ3 LYS 101 3.850 15.613 -7.874 797 H LYS 102 H LYS 102 3.326 12.522 -5.273 798 HA LYS 102 HA LYS 102 4.695 11.858 -7.658 799 HB2 LYS 102 HB2 LYS 102 5.653 12.365 -4.856 800 HB3 LYS 102 HB1 LYS 102 6.724 12.134 -6.230 801 HG2 LYS 102 HG2 LYS 102 6.060 14.145 -7.223 802 HG3 LYS 102 HG1 LYS 102 4.622 14.280 -6.202 803 HD2 LYS 102 HD2 LYS 102 6.438 15.828 -5.534 804 HD3 LYS 102 HD1 LYS 102 5.994 14.695 -4.263 805 HE2 LYS 102 HE2 LYS 102 8.329 14.862 -4.294 806 HE3 LYS 102 HE1 LYS 102 7.923 13.285 -4.925 807 HZ1 LYS 102 HZ1 LYS 102 8.746 15.638 -6.554 808 HZ2 LYS 102 HZ2 LYS 102 8.239 14.176 -7.199 809 HZ3 LYS 102 HZ3 LYS 102 9.644 14.245 -6.288 810 H ALA 103 H ALA 103 3.873 10.079 -4.790 811 HA ALA 103 HA ALA 103 5.762 8.012 -4.911 812 HB1 ALA 103 HB1 ALA 103 4.199 6.672 -3.583 813 HB2 ALA 103 HB2 ALA 103 2.912 7.827 -3.931 814 HB3 ALA 103 HB3 ALA 103 4.302 8.321 -2.969 815 H GLN 104 H GLN 104 2.907 8.629 -6.697 816 HA GLN 104 HA GLN 104 2.446 6.022 -7.754 817 HB2 GLN 104 HB2 GLN 104 1.643 8.713 -8.842 818 HB3 GLN 104 HB1 GLN 104 0.882 7.167 -9.200 819 HG2 GLN 104 HG2 GLN 104 0.112 6.985 -6.859 820 HG3 GLN 104 HG1 GLN 104 0.976 8.454 -6.485 821 HE21 GLN 104 HE21 GLN 104 0.264 9.870 -8.868 822 HE22 GLN 104 HE22 GLN 104 -1.402 10.269 -8.725 823 H MET 105 H MET 105 4.664 8.531 -8.443 824 HA MET 105 HA MET 105 5.179 7.704 -11.200 825 HB2 MET 105 HB2 MET 105 6.634 9.745 -9.594 826 HB3 MET 105 HB1 MET 105 6.601 9.581 -11.334 827 HG2 MET 105 HG2 MET 105 4.223 10.102 -11.354 828 HG3 MET 105 HG1 MET 105 4.263 10.362 -9.625 829 HE1 MET 105 HE1 MET 105 7.046 11.461 -12.255 830 HE2 MET 105 HE2 MET 105 6.459 13.075 -12.664 831 HE3 MET 105 HE3 MET 105 5.505 11.653 -13.088 832 H LEU 106 H LEU 106 6.212 7.026 -8.093 833 HA LEU 106 HA LEU 106 8.978 6.717 -8.379 834 HB2 LEU 106 HB2 LEU 106 7.102 5.197 -6.584 835 HB3 LEU 106 HB1 LEU 106 8.842 5.120 -6.465 836 HG LEU 106 HG LEU 106 7.162 7.583 -6.068 837 HD11 LEU 106 HD11 LEU 106 7.774 7.335 -3.681 838 HD12 LEU 106 HD12 LEU 106 8.577 5.812 -4.062 839 HD13 LEU 106 HD13 LEU 106 6.833 5.965 -4.266 840 HD21 LEU 106 HD21 LEU 106 9.400 8.119 -6.874 841 HD22 LEU 106 HD22 LEU 106 10.089 7.131 -5.577 842 HD23 LEU 106 HD23 LEU 106 9.200 8.599 -5.187 843 HA PRO 107 HA PRO 107 8.117 2.100 -9.793 844 HB2 PRO 107 HB2 PRO 107 5.801 1.955 -11.302 845 HB3 PRO 107 HB1 PRO 107 5.971 1.344 -9.654 846 HG2 PRO 107 HG2 PRO 107 4.823 3.929 -10.608 847 HG3 PRO 107 HG1 PRO 107 4.259 2.859 -9.308 848 HD2 PRO 107 HD2 PRO 107 5.617 5.095 -8.731 849 HD3 PRO 107 HD1 PRO 107 5.897 3.602 -7.826 850 H ASN 108 H ASN 108 7.279 5.086 -11.531 851 HA ASN 108 HA ASN 108 8.075 4.011 -14.029 852 HB2 ASN 108 HB2 ASN 108 7.497 6.785 -13.003 853 HB3 ASN 108 HB1 ASN 108 7.838 6.386 -14.673 854 HD21 ASN 108 HD21 ASN 108 6.239 5.350 -15.884 855 HD22 ASN 108 HD22 ASN 108 4.600 5.238 -15.345 856 H GLN 109 H GLN 109 9.279 6.215 -11.566 857 HA GLN 109 HA GLN 109 11.687 6.960 -12.856 858 HB2 GLN 109 HB2 GLN 109 10.955 7.064 -9.940 859 HB3 GLN 109 HB1 GLN 109 12.331 7.876 -10.670 860 HG2 GLN 109 HG2 GLN 109 10.859 9.224 -12.022 861 HG3 GLN 109 HG1 GLN 109 9.462 8.352 -11.389 862 HE21 GLN 109 HE21 GLN 109 8.580 10.204 -10.637 863 HE22 GLN 109 HE22 GLN 109 9.147 11.018 -9.217 864 H CYS 110 H CYS 110 10.968 4.454 -10.503 865 HA CYS 110 HA CYS 110 13.792 3.764 -10.296 866 HB2 CYS 110 HB2 CYS 110 12.105 3.792 -8.360 867 HB3 CYS 110 HB1 CYS 110 11.438 2.363 -9.068 868 H ASN 111 H ASN 111 11.360 3.132 -12.406 869 HA ASN 111 HA ASN 111 10.884 1.647 -14.006 870 HB2 ASN 111 HB2 ASN 111 13.332 2.009 -14.581 871 HB3 ASN 111 HB1 ASN 111 13.697 0.556 -13.659 872 HD21 ASN 111 HD21 ASN 111 13.046 -1.450 -14.507 873 HD22 ASN 111 HD22 ASN 111 12.620 -1.642 -16.173 874 H LEU 112 H LEU 112 9.678 0.981 -12.098 875 HA LEU 112 HA LEU 112 10.281 -1.692 -11.138 876 HB2 LEU 112 HB2 LEU 112 7.964 0.086 -10.387 877 HB3 LEU 112 HB1 LEU 112 8.489 -1.371 -9.558 878 HG LEU 112 HG LEU 112 9.976 1.227 -9.747 879 HD11 LEU 112 HD11 LEU 112 8.259 1.312 -8.022 880 HD12 LEU 112 HD12 LEU 112 9.856 1.205 -7.286 881 HD13 LEU 112 HD13 LEU 112 8.843 -0.217 -7.359 882 HD21 LEU 112 HD21 LEU 112 10.869 -1.385 -8.587 883 HD22 LEU 112 HD22 LEU 112 11.700 0.164 -8.383 884 HD23 LEU 112 HD23 LEU 112 11.546 -0.546 -9.979 885 H GLN 113 H GLN 113 8.608 -3.337 -11.093 886 HA GLN 113 HA GLN 113 7.671 -3.931 -13.716 887 HB2 GLN 113 HB2 GLN 113 7.003 -5.308 -11.123 888 HB3 GLN 113 HB1 GLN 113 6.877 -5.993 -12.731 889 HG2 GLN 113 HG2 GLN 113 9.423 -5.156 -11.392 890 HG3 GLN 113 HG1 GLN 113 8.825 -6.807 -11.460 891 HE21 GLN 113 HE21 GLN 113 8.851 -7.870 -13.439 892 HE22 GLN 113 HE22 GLN 113 9.835 -7.363 -14.758 893 H CYS 114 H CYS 114 6.418 -1.603 -12.582 894 HA CYS 114 HA CYS 114 3.611 -2.133 -12.902 895 HB2 CYS 114 HB2 CYS 114 5.011 -1.368 -10.456 896 HB3 CYS 114 HB1 CYS 114 3.278 -0.961 -10.579 897 H SER 115 H SER 115 2.561 0.042 -13.087 898 HA SER 115 HA SER 115 4.229 2.364 -12.850 899 HB2 SER 115 HB2 SER 115 3.519 3.030 -15.246 900 HB3 SER 115 HB1 SER 115 4.820 1.850 -15.088 901 HG SER 115 HG SER 115 3.207 0.225 -15.312 902 H ILE 116 H ILE 116 2.962 4.077 -12.140 903 HA ILE 116 HA ILE 116 0.093 3.552 -12.232 904 HB ILE 116 HB ILE 116 1.570 5.243 -10.165 905 HG12 ILE 116 HG12 ILE 116 0.422 2.457 -9.849 906 HG13 ILE 116 HG11 ILE 116 2.138 2.800 -10.025 907 HG21 ILE 116 HG21 ILE 116 -1.270 4.183 -10.244 908 HG22 ILE 116 HG22 ILE 116 -0.792 5.850 -10.549 909 HG23 ILE 116 HG23 ILE 116 -0.565 5.149 -8.944 910 HD11 ILE 116 HD11 ILE 116 2.099 4.017 -7.909 911 HD12 ILE 116 HD12 ILE 116 1.505 2.369 -7.708 912 HD13 ILE 116 HD13 ILE 116 0.366 3.716 -7.764 Start of MODEL 10 1 H1 GLY 1 H GLY 1 5.326 -14.920 0.174 2 H2 GLY 1 HT1 GLY 1 5.056 -15.137 -0.235 3 H3 GLY 1 HT2 GLY 1 6.278 -14.799 -1.366 4 HA2 GLY 1 HA1 GLY 1 6.314 -17.002 0.582 5 HA3 GLY 1 HA2 GLY 1 5.858 -17.153 -1.114 6 H ARG 2 H ARG 2 8.371 -17.474 1.034 7 HA ARG 2 HA ARG 2 10.450 -16.937 -0.948 8 HB2 ARG 2 HB2 ARG 2 10.638 -18.152 1.809 9 HB3 ARG 2 HB1 ARG 2 11.999 -17.795 0.763 10 HG2 ARG 2 HG2 ARG 2 10.094 -15.804 1.906 11 HG3 ARG 2 HG1 ARG 2 11.711 -16.174 2.546 12 HD2 ARG 2 HD2 ARG 2 12.635 -15.453 0.354 13 HD3 ARG 2 HD1 ARG 2 10.998 -14.980 -0.108 14 HE ARG 2 HE ARG 2 12.015 -13.823 2.334 15 HH11 ARG 2 HH11 ARG 2 11.389 -13.386 -1.124 16 HH12 ARG 2 HH12 ARG 2 11.582 -11.699 -1.095 17 HH21 ARG 2 HH21 ARG 2 12.336 -11.506 2.345 18 HH22 ARG 2 HH22 ARG 2 12.132 -10.619 0.902 19 H CYS 3 H CYS 3 11.220 -18.435 -2.154 20 HA CYS 3 HA CYS 3 10.526 -21.213 -1.607 21 HB2 CYS 3 HB2 CYS 3 9.833 -19.850 -4.208 22 HB3 CYS 3 HB1 CYS 3 9.617 -21.555 -3.850 23 H THR 4 H THR 4 11.805 -22.706 -2.686 24 HA THR 4 HA THR 4 14.420 -21.794 -3.329 25 HB THR 4 HB THR 4 14.807 -24.228 -3.714 26 HG1 THR 4 HG1 THR 4 13.078 -25.330 -4.155 27 HG21 THR 4 HG21 THR 4 14.474 -24.885 -1.357 28 HG22 THR 4 HG22 THR 4 13.393 -23.510 -1.132 29 HG23 THR 4 HG23 THR 4 15.101 -23.241 -1.473 30 H LYS 5 H LYS 5 15.508 -22.445 -5.326 31 HA LYS 5 HA LYS 5 13.780 -22.084 -7.616 32 HB2 LYS 5 HB2 LYS 5 16.805 -22.140 -7.459 33 HB3 LYS 5 HB1 LYS 5 15.915 -21.945 -8.960 34 HG2 LYS 5 HG2 LYS 5 16.603 -19.786 -8.357 35 HG3 LYS 5 HG1 LYS 5 14.907 -19.859 -7.897 36 HD2 LYS 5 HD2 LYS 5 15.911 -18.812 -6.085 37 HD3 LYS 5 HD1 LYS 5 15.807 -20.489 -5.559 38 HE2 LYS 5 HE2 LYS 5 18.262 -19.096 -6.665 39 HE3 LYS 5 HE1 LYS 5 17.953 -19.464 -4.979 40 HZ1 LYS 5 HZ1 LYS 5 19.473 -21.043 -5.876 41 HZ2 LYS 5 HZ2 LYS 5 18.492 -21.424 -7.161 42 HZ3 LYS 5 HZ3 LYS 5 18.046 -21.873 -5.592 43 H SER 6 H SER 6 12.868 -24.163 -6.995 44 HA SER 6 HA SER 6 14.135 -26.266 -8.535 45 HB2 SER 6 HB2 SER 6 13.425 -27.894 -6.777 46 HB3 SER 6 HB1 SER 6 14.648 -26.767 -6.194 47 HG SER 6 HG SER 6 11.992 -27.063 -5.521 48 H ILE 7 H ILE 7 12.497 -27.813 -9.232 49 HA ILE 7 HA ILE 7 9.746 -26.850 -9.019 50 HB ILE 7 HB ILE 7 11.107 -27.924 -11.517 51 HG12 ILE 7 HG12 ILE 7 11.546 -25.543 -11.006 52 HG13 ILE 7 HG11 ILE 7 10.661 -25.740 -12.523 53 HG21 ILE 7 HG21 ILE 7 8.852 -28.827 -11.380 54 HG22 ILE 7 HG22 ILE 7 8.956 -27.634 -12.674 55 HG23 ILE 7 HG23 ILE 7 8.199 -27.206 -11.140 56 HD11 ILE 7 HD11 ILE 7 9.824 -23.852 -11.266 57 HD12 ILE 7 HD12 ILE 7 9.567 -24.866 -9.850 58 HD13 ILE 7 HD13 ILE 7 8.600 -25.123 -11.304 59 HA PRO 8 HA PRO 8 7.964 -27.429 -8.304 60 HB2 PRO 8 HB2 PRO 8 6.929 -28.409 -6.001 61 HB3 PRO 8 HB1 PRO 8 6.356 -28.919 -7.593 62 HG2 PRO 8 HG2 PRO 8 8.256 -30.283 -5.736 63 HG3 PRO 8 HG1 PRO 8 6.939 -30.983 -6.692 64 HD2 PRO 8 HD2 PRO 8 9.547 -31.112 -7.450 65 HD3 PRO 8 HD1 PRO 8 8.207 -31.057 -8.612 66 HA PRO 9 HA PRO 9 10.622 -25.353 -5.495 67 HB2 PRO 9 HB2 PRO 9 9.077 -23.314 -4.684 68 HB3 PRO 9 HB1 PRO 9 9.695 -23.429 -6.338 69 HG2 PRO 9 HG2 PRO 9 7.003 -24.150 -5.258 70 HG3 PRO 9 HG1 PRO 9 7.420 -23.279 -6.756 71 HD2 PRO 9 HD2 PRO 9 6.773 -25.926 -6.687 72 HD3 PRO 9 HD1 PRO 9 7.867 -25.217 -7.895 73 H ILE 10 H ILE 10 11.110 -25.127 -3.317 74 HA ILE 10 HA ILE 10 9.264 -26.269 -1.370 75 HB ILE 10 HB ILE 10 12.174 -25.432 -1.137 76 HG12 ILE 10 HG12 ILE 10 12.071 -27.282 -2.688 77 HG13 ILE 10 HG11 ILE 10 12.727 -27.860 -1.163 78 HG21 ILE 10 HG21 ILE 10 11.065 -25.401 1.002 79 HG22 ILE 10 HG22 ILE 10 12.223 -26.729 0.931 80 HG23 ILE 10 HG23 ILE 10 10.497 -27.053 0.757 81 HD11 ILE 10 HD11 ILE 10 11.192 -29.465 -2.121 82 HD12 ILE 10 HD12 ILE 10 9.920 -28.246 -2.162 83 HD13 ILE 10 HD13 ILE 10 10.540 -28.820 -0.612 84 H CYS 11 H CYS 11 7.986 -24.706 -0.429 85 HA CYS 11 HA CYS 11 9.132 -22.042 -0.344 86 HB2 CYS 11 HB2 CYS 11 6.222 -22.848 -0.369 87 HB3 CYS 11 HB1 CYS 11 6.819 -21.201 -0.230 88 H PHE 12 H PHE 12 9.159 -20.878 1.372 89 HA PHE 12 HA PHE 12 9.038 -22.258 3.926 90 HB2 PHE 12 HB2 PHE 12 10.274 -19.692 2.971 91 HB3 PHE 12 HB1 PHE 12 10.190 -20.090 4.678 92 HD1 PHE 12 HD1 PHE 12 11.729 -20.897 1.463 93 HD2 PHE 12 HD2 PHE 12 11.493 -21.846 5.595 94 HE1 PHE 12 HE1 PHE 12 13.798 -22.210 1.277 95 HE2 PHE 12 HE2 PHE 12 13.525 -23.140 5.443 96 HZ PHE 12 HZ PHE 12 14.712 -23.337 3.265 97 HA PRO 13 HA PRO 13 5.531 -19.978 5.447 98 HB2 PRO 13 HB2 PRO 13 6.844 -19.209 7.937 99 HB3 PRO 13 HB1 PRO 13 5.516 -20.342 7.695 100 HG2 PRO 13 HG2 PRO 13 8.079 -21.063 8.377 101 HG3 PRO 13 HG1 PRO 13 6.911 -22.132 7.595 102 HD2 PRO 13 HD2 PRO 13 9.297 -20.802 6.417 103 HD3 PRO 13 HD1 PRO 13 8.415 -22.238 5.913 104 H ASP 14 H ASP 14 6.218 -18.522 3.868 105 HA ASP 14 HA ASP 14 6.385 -15.774 4.942 106 HB2 ASP 14 HB2 ASP 14 8.606 -16.293 3.969 107 HB3 ASP 14 HB1 ASP 14 7.829 -16.788 2.473 108 H GLY 15 H GLY 15 4.785 -14.537 4.105 109 HA2 GLY 15 HA2 GLY 15 3.179 -13.856 2.589 110 HA3 GLY 15 HA1 GLY 15 3.612 -15.233 1.560 111 H LEU 16 H LEU 16 3.074 -15.723 4.821 112 HA LEU 16 HA LEU 16 0.619 -17.169 4.244 113 HB2 LEU 16 HB2 LEU 16 0.886 -18.318 6.351 114 HB3 LEU 16 HB1 LEU 16 2.374 -18.396 5.454 115 HG LEU 16 HG LEU 16 1.848 -16.667 7.883 116 HD11 LEU 16 HD11 LEU 16 1.991 -19.025 8.362 117 HD12 LEU 16 HD12 LEU 16 3.433 -18.175 8.945 118 HD13 LEU 16 HD13 LEU 16 3.499 -19.113 7.447 119 HD21 LEU 16 HD21 LEU 16 4.294 -16.272 7.860 120 HD22 LEU 16 HD22 LEU 16 3.469 -15.563 6.481 121 HD23 LEU 16 HD23 LEU 16 4.383 -17.060 6.279 122 H ASP 17 H ASP 17 1.784 -14.381 5.681 123 HA ASP 17 HA ASP 17 -0.935 -13.582 6.326 124 HB2 ASP 17 HB2 ASP 17 1.531 -12.933 7.973 125 HB3 ASP 17 HB1 ASP 17 0.002 -12.084 8.134 126 H ASN 18 H ASN 18 -1.020 -12.728 4.338 127 HA ASN 18 HA ASN 18 0.823 -10.551 3.825 128 HB2 ASN 18 HB2 ASN 18 0.171 -10.759 1.423 129 HB3 ASN 18 HB1 ASN 18 0.997 -12.164 2.059 130 HD21 ASN 18 HD21 ASN 18 -1.994 -10.949 0.682 131 HD22 ASN 18 HD22 ASN 18 -2.746 -12.485 0.566 132 HA PRO 19 HA PRO 19 -2.823 -8.141 4.588 133 HB2 PRO 19 HB2 PRO 19 -1.146 -5.767 4.347 134 HB3 PRO 19 HB1 PRO 19 -1.947 -6.413 5.774 135 HG2 PRO 19 HG2 PRO 19 0.773 -6.436 5.420 136 HG3 PRO 19 HG1 PRO 19 -0.107 -7.570 6.455 137 HD2 PRO 19 HD2 PRO 19 1.007 -7.973 3.718 138 HD3 PRO 19 HD1 PRO 19 0.892 -9.097 5.096 139 H ARG 20 H ARG 20 -0.586 -7.961 2.065 140 HA ARG 20 HA ARG 20 -2.658 -6.900 0.239 141 HB2 ARG 20 HB2 ARG 20 0.318 -6.353 -0.041 142 HB3 ARG 20 HB1 ARG 20 -0.924 -5.873 -1.174 143 HG2 ARG 20 HG2 ARG 20 -0.353 -3.924 -0.020 144 HG3 ARG 20 HG1 ARG 20 -1.861 -4.448 0.718 145 HD2 ARG 20 HD2 ARG 20 -0.552 -5.571 2.447 146 HD3 ARG 20 HD1 ARG 20 0.905 -4.896 1.765 147 HE ARG 20 HE ARG 20 -0.901 -2.790 2.141 148 HH11 ARG 20 HH11 ARG 20 1.392 -4.664 4.118 149 HH12 ARG 20 HH12 ARG 20 1.219 -3.653 5.483 150 HH21 ARG 20 HH21 ARG 20 -1.128 -1.507 3.974 151 HH22 ARG 20 HH22 ARG 20 -0.238 -1.784 5.418 152 H GLY 21 H GLY 21 0.531 -8.325 0.207 153 HA2 GLY 21 HA2 GLY 21 -0.187 -10.802 -0.697 154 HA3 GLY 21 HA1 GLY 21 0.144 -9.767 -2.123 155 H CYS 22 H CYS 22 2.103 -8.583 -2.078 156 HA CYS 22 HA CYS 22 4.356 -10.111 -1.203 157 HB2 CYS 22 HB2 CYS 22 3.985 -7.414 -2.478 158 HB3 CYS 22 HB1 CYS 22 5.553 -7.900 -1.876 159 H GLN 23 H GLN 23 5.402 -9.826 0.749 160 HA GLN 23 HA GLN 23 4.284 -7.654 2.290 161 HB2 GLN 23 HB2 GLN 23 5.020 -8.729 4.319 162 HB3 GLN 23 HB1 GLN 23 4.074 -9.862 3.365 163 HG2 GLN 23 HG2 GLN 23 6.125 -10.934 2.647 164 HG3 GLN 23 HG1 GLN 23 7.071 -9.799 3.602 165 HE21 GLN 23 HE21 GLN 23 7.046 -12.665 3.920 166 HE22 GLN 23 HE22 GLN 23 6.472 -12.957 5.513 167 H ILE 24 H ILE 24 5.329 -5.947 2.201 168 HA ILE 24 HA ILE 24 8.261 -6.049 2.084 169 HB ILE 24 HB ILE 24 6.538 -3.682 1.232 170 HG12 ILE 24 HG12 ILE 24 7.413 -4.333 -1.145 171 HG13 ILE 24 HG11 ILE 24 7.600 -5.934 -0.447 172 HG21 ILE 24 HG21 ILE 24 9.433 -4.337 0.752 173 HG22 ILE 24 HG22 ILE 24 8.820 -3.094 1.858 174 HG23 ILE 24 HG23 ILE 24 8.572 -2.951 0.105 175 HD11 ILE 24 HD11 ILE 24 5.224 -5.989 0.056 176 HD12 ILE 24 HD12 ILE 24 5.527 -5.724 -1.661 177 HD13 ILE 24 HD13 ILE 24 5.042 -4.376 -0.633 178 H ARG 25 H ARG 25 9.302 -5.022 3.592 179 HA ARG 25 HA ARG 25 7.925 -4.517 5.987 180 HB2 ARG 25 HB2 ARG 25 10.123 -3.814 6.830 181 HB3 ARG 25 HB1 ARG 25 10.184 -5.367 6.016 182 HG2 ARG 25 HG2 ARG 25 10.977 -4.055 3.963 183 HG3 ARG 25 HG1 ARG 25 11.145 -2.713 5.080 184 HD2 ARG 25 HD2 ARG 25 13.220 -3.843 4.811 185 HD3 ARG 25 HD1 ARG 25 12.573 -4.004 6.471 186 HE ARG 25 HE ARG 25 11.711 -6.205 5.117 187 HH11 ARG 25 HH11 ARG 25 14.924 -4.891 5.805 188 HH12 ARG 25 HH12 ARG 25 15.666 -6.420 5.894 189 HH21 ARG 25 HH21 ARG 25 12.728 -8.273 5.227 190 HH22 ARG 25 HH22 ARG 25 14.399 -8.375 5.552 191 H ILE 26 H ILE 26 6.859 -2.834 6.457 192 HA ILE 26 HA ILE 26 6.766 -0.617 4.703 193 HB ILE 26 HB ILE 26 5.138 0.394 6.227 194 HG12 ILE 26 HG12 ILE 26 4.190 -1.215 8.049 195 HG13 ILE 26 HG11 ILE 26 5.773 -1.969 7.993 196 HG21 ILE 26 HG21 ILE 26 4.669 -2.486 5.546 197 HG22 ILE 26 HG22 ILE 26 4.416 -1.091 4.492 198 HG23 ILE 26 HG23 ILE 26 3.397 -1.322 5.920 199 HD11 ILE 26 HD11 ILE 26 6.797 0.146 8.640 200 HD12 ILE 26 HD12 ILE 26 5.600 -0.394 9.819 201 HD13 ILE 26 HD13 ILE 26 5.204 0.900 8.688 202 H GLN 27 H GLN 27 8.762 -1.298 7.185 203 HA GLN 27 HA GLN 27 9.217 1.360 8.138 204 HB2 GLN 27 HB2 GLN 27 11.101 0.367 9.356 205 HB3 GLN 27 HB1 GLN 27 9.592 -0.511 9.581 206 HG2 GLN 27 HG2 GLN 27 10.287 -2.252 8.119 207 HG3 GLN 27 HG1 GLN 27 11.717 -1.347 7.636 208 HE21 GLN 27 HE21 GLN 27 11.394 -4.000 8.892 209 HE22 GLN 27 HE22 GLN 27 12.371 -3.936 10.303 210 H GLN 28 H GLN 28 10.208 -0.430 5.387 211 HA GLN 28 HA GLN 28 12.664 1.065 5.180 212 HB2 GLN 28 HB2 GLN 28 13.224 -0.250 3.283 213 HB3 GLN 28 HB1 GLN 28 12.368 -1.317 4.393 214 HG2 GLN 28 HG2 GLN 28 10.479 -1.408 3.089 215 HG3 GLN 28 HG1 GLN 28 10.915 0.046 2.192 216 HE21 GLN 28 HE21 GLN 28 13.259 -2.488 2.829 217 HE22 GLN 28 HE22 GLN 28 13.324 -3.015 1.189 218 H LEU 29 H LEU 29 9.399 1.327 4.284 219 HA LEU 29 HA LEU 29 9.916 3.260 2.162 220 HB2 LEU 29 HB2 LEU 29 7.331 2.220 3.277 221 HB3 LEU 29 HB1 LEU 29 7.446 3.435 2.029 222 HG LEU 29 HG LEU 29 6.996 1.545 0.840 223 HD11 LEU 29 HD11 LEU 29 9.013 0.898 -0.376 224 HD12 LEU 29 HD12 LEU 29 9.982 1.640 0.911 225 HD13 LEU 29 HD13 LEU 29 8.915 2.639 -0.058 226 HD21 LEU 29 HD21 LEU 29 8.826 0.026 2.668 227 HD22 LEU 29 HD22 LEU 29 7.994 -0.675 1.270 228 HD23 LEU 29 HD23 LEU 29 7.066 -0.032 2.634 229 H ASN 30 H ASN 30 9.835 3.220 5.335 230 HA ASN 30 HA ASN 30 8.298 5.274 6.274 231 HB2 ASN 30 HB2 ASN 30 9.830 3.659 7.545 232 HB3 ASN 30 HB1 ASN 30 11.118 4.799 7.201 233 HD21 ASN 30 HD21 ASN 30 10.108 3.943 9.753 234 HD22 ASN 30 HD22 ASN 30 9.531 5.349 10.565 235 H HIS 31 H HIS 31 11.358 5.504 4.472 236 HA HIS 31 HA HIS 31 11.794 8.270 5.107 237 HB2 HIS 31 HB2 HIS 31 13.572 6.536 4.117 238 HB3 HIS 31 HB1 HIS 31 12.825 7.039 2.596 239 HD1 HIS 31 HD1 HIS 31 15.779 7.772 4.221 240 HD2 HIS 31 HD2 HIS 31 12.734 10.129 2.653 241 HE1 HIS 31 HE1 HIS 31 16.793 10.013 3.775 242 H CYS 32 H CYS 32 10.667 6.574 2.166 243 HA CYS 32 HA CYS 32 9.925 8.773 0.660 244 HB2 CYS 32 HB2 CYS 32 9.420 5.906 0.622 245 HB3 CYS 32 HB1 CYS 32 8.019 6.815 0.054 246 H GLN 33 H GLN 33 7.904 6.805 2.836 247 HA GLN 33 HA GLN 33 5.563 8.099 2.759 248 HB2 GLN 33 HB2 GLN 33 5.833 6.103 3.933 249 HB3 GLN 33 HB1 GLN 33 7.058 6.782 4.985 250 HG2 GLN 33 HG2 GLN 33 5.410 8.352 5.797 251 HG3 GLN 33 HG1 GLN 33 4.126 7.481 4.955 252 HE21 GLN 33 HE21 GLN 33 6.904 6.181 6.682 253 HE22 GLN 33 HE22 GLN 33 6.009 5.361 7.913 254 H MET 34 H MET 34 8.193 8.778 5.114 255 HA MET 34 HA MET 34 6.703 10.871 6.317 256 HB2 MET 34 HB2 MET 34 8.586 11.315 7.714 257 HB3 MET 34 HB1 MET 34 8.410 9.567 7.553 258 HG2 MET 34 HG2 MET 34 10.273 9.548 5.979 259 HG3 MET 34 HG1 MET 34 10.421 11.296 6.123 260 HE1 MET 34 HE1 MET 34 13.631 10.158 7.965 261 HE2 MET 34 HE2 MET 34 12.942 11.201 6.723 262 HE3 MET 34 HE3 MET 34 12.922 9.451 6.514 263 H HIS 35 H HIS 35 9.229 10.809 3.965 264 HA HIS 35 HA HIS 35 9.764 13.610 4.027 265 HB2 HIS 35 HB2 HIS 35 11.204 11.642 3.103 266 HB3 HIS 35 HB1 HIS 35 10.294 11.896 1.623 267 HD1 HIS 35 HD1 HIS 35 10.349 15.106 1.710 268 HD2 HIS 35 HD2 HIS 35 13.569 12.545 2.315 269 HE1 HIS 35 HE1 HIS 35 12.408 16.454 1.171 270 H LEU 36 H LEU 36 7.438 11.615 2.361 271 HA LEU 36 HA LEU 36 6.737 13.766 0.580 272 HB2 LEU 36 HB2 LEU 36 5.535 11.050 0.958 273 HB3 LEU 36 HB1 LEU 36 4.956 12.225 -0.213 274 HG LEU 36 HG LEU 36 7.659 10.902 -0.135 275 HD11 LEU 36 HD11 LEU 36 5.379 10.580 -2.063 276 HD12 LEU 36 HD12 LEU 36 5.929 9.405 -0.867 277 HD13 LEU 36 HD13 LEU 36 6.970 9.835 -2.223 278 HD21 LEU 36 HD21 LEU 36 8.087 11.973 -2.307 279 HD22 LEU 36 HD22 LEU 36 7.917 13.145 -1.007 280 HD23 LEU 36 HD23 LEU 36 6.584 12.878 -2.139 281 H THR 37 H THR 37 5.553 12.449 3.613 282 HA THR 37 HA THR 37 3.171 13.977 3.250 283 HB THR 37 HB THR 37 2.651 13.250 5.539 284 HG1 THR 37 HG1 THR 37 4.362 11.243 5.759 285 HG21 THR 37 HG21 THR 37 1.898 11.971 3.616 286 HG22 THR 37 HG22 THR 37 2.352 10.870 4.919 287 HG23 THR 37 HG23 THR 37 3.444 11.128 3.560 288 H SER 38 H SER 38 6.238 14.462 4.519 289 HA SER 38 HA SER 38 5.363 16.786 6.013 290 HB2 SER 38 HB2 SER 38 7.754 17.024 6.731 291 HB3 SER 38 HB1 SER 38 7.003 15.503 7.203 292 HG SER 38 HG SER 38 8.045 14.493 5.539 293 H PHE 39 H PHE 39 6.035 18.887 5.600 294 HA PHE 39 HA PHE 39 7.084 19.248 2.927 295 HB2 PHE 39 HB2 PHE 39 5.111 20.906 4.484 296 HB3 PHE 39 HB1 PHE 39 6.029 21.583 3.141 297 HD1 PHE 39 HD1 PHE 39 3.304 19.368 4.104 298 HD2 PHE 39 HD2 PHE 39 5.692 20.767 0.874 299 HE1 PHE 39 HE1 PHE 39 1.670 18.474 2.506 300 HE2 PHE 39 HE2 PHE 39 4.060 19.871 -0.728 301 HZ PHE 39 HZ PHE 39 2.049 18.726 0.087 302 H ASP 40 H ASP 40 8.372 21.128 2.703 303 HA ASP 40 HA ASP 40 9.971 21.631 5.110 304 HB2 ASP 40 HB2 ASP 40 11.002 20.030 3.353 305 HB3 ASP 40 HB1 ASP 40 11.125 21.431 2.313 306 H TYR 41 H TYR 41 11.531 23.595 4.300 307 HA TYR 41 HA TYR 41 9.501 25.672 3.985 308 HB2 TYR 41 HB2 TYR 41 10.994 27.128 5.244 309 HB3 TYR 41 HB1 TYR 41 10.766 25.529 5.978 310 HD1 TYR 41 HD1 TYR 41 12.551 24.107 6.473 311 HD2 TYR 41 HD2 TYR 41 13.228 27.557 4.095 312 HE1 TYR 41 HE1 TYR 41 14.971 23.714 6.603 313 HE2 TYR 41 HE2 TYR 41 15.640 27.176 4.208 314 HH TYR 41 HH TYR 41 17.261 26.034 5.633 315 H LYS 42 H LYS 42 12.572 24.607 2.633 316 HA LYS 42 HA LYS 42 12.644 27.002 1.028 317 HB2 LYS 42 HB2 LYS 42 14.837 26.436 0.356 318 HB3 LYS 42 HB1 LYS 42 14.648 25.865 2.010 319 HG2 LYS 42 HG2 LYS 42 14.427 24.071 -0.399 320 HG3 LYS 42 HG1 LYS 42 15.932 24.335 0.480 321 HD2 LYS 42 HD2 LYS 42 14.812 23.475 2.506 322 HD3 LYS 42 HD1 LYS 42 13.376 23.165 1.531 323 HE2 LYS 42 HE2 LYS 42 14.628 21.116 1.805 324 HE3 LYS 42 HE1 LYS 42 14.694 21.630 0.122 325 HZ1 LYS 42 HZ1 LYS 42 16.853 22.054 2.128 326 HZ2 LYS 42 HZ2 LYS 42 16.945 22.472 0.507 327 HZ3 LYS 42 HZ3 LYS 42 16.852 20.865 0.950 328 H LEU 43 H LEU 43 10.723 24.606 0.782 329 HA LEU 43 HA LEU 43 10.987 23.827 -1.967 330 HB2 LEU 43 HB2 LEU 43 8.497 23.656 -0.294 331 HB3 LEU 43 HB1 LEU 43 8.902 22.704 -1.703 332 HG LEU 43 HG LEU 43 10.125 22.540 1.022 333 HD11 LEU 43 HD11 LEU 43 8.427 20.603 -0.530 334 HD12 LEU 43 HD12 LEU 43 7.975 21.554 0.897 335 HD13 LEU 43 HD13 LEU 43 9.195 20.296 1.036 336 HD21 LEU 43 HD21 LEU 43 11.862 22.168 -0.616 337 HD22 LEU 43 HD22 LEU 43 10.862 20.970 -1.454 338 HD23 LEU 43 HD23 LEU 43 11.441 20.660 0.189 339 H ARG 44 H ARG 44 11.128 25.921 -2.915 340 HA ARG 44 HA ARG 44 8.609 27.449 -3.002 341 HB2 ARG 44 HB2 ARG 44 11.324 28.098 -4.135 342 HB3 ARG 44 HB1 ARG 44 9.917 29.145 -4.252 343 HG2 ARG 44 HG2 ARG 44 9.861 29.264 -1.768 344 HG3 ARG 44 HG1 ARG 44 11.360 28.332 -1.731 345 HD2 ARG 44 HD2 ARG 44 11.804 30.721 -1.516 346 HD3 ARG 44 HD1 ARG 44 12.479 30.080 -3.015 347 HE ARG 44 HE ARG 44 9.933 31.014 -3.594 348 HH11 ARG 44 HH11 ARG 44 12.971 32.426 -2.513 349 HH12 ARG 44 HH12 ARG 44 12.709 33.931 -3.243 350 HH21 ARG 44 HH21 ARG 44 9.556 33.028 -4.629 351 HH22 ARG 44 HH22 ARG 44 10.689 34.287 -4.490 352 H MET 45 H MET 45 10.590 25.396 -4.715 353 HA MET 45 HA MET 45 8.633 24.964 -6.701 354 HB2 MET 45 HB2 MET 45 10.344 25.162 -8.583 355 HB3 MET 45 HB1 MET 45 9.788 26.676 -7.896 356 HG2 MET 45 HG2 MET 45 11.823 26.784 -6.547 357 HG3 MET 45 HG1 MET 45 12.407 25.309 -7.317 358 HE1 MET 45 HE1 MET 45 11.774 29.339 -9.506 359 HE2 MET 45 HE2 MET 45 11.482 29.087 -7.785 360 HE3 MET 45 HE3 MET 45 10.424 28.340 -8.980 361 H ALA 46 H ALA 46 8.470 23.190 -5.542 362 HA ALA 46 HA ALA 46 10.609 21.185 -5.796 363 HB1 ALA 46 HB1 ALA 46 9.641 20.172 -3.774 364 HB2 ALA 46 HB2 ALA 46 8.458 21.477 -3.697 365 HB3 ALA 46 HB3 ALA 46 10.173 21.828 -3.477 366 H VAL 47 H VAL 47 8.577 21.972 -7.654 367 HA VAL 47 HA VAL 47 6.438 20.064 -7.617 368 HB VAL 47 HB VAL 47 7.438 21.798 -9.900 369 HG11 VAL 47 HG11 VAL 47 4.769 20.468 -9.496 370 HG12 VAL 47 HG12 VAL 47 6.008 19.981 -10.651 371 HG13 VAL 47 HG13 VAL 47 5.194 21.537 -10.832 372 HG21 VAL 47 HG21 VAL 47 6.853 23.180 -7.993 373 HG22 VAL 47 HG22 VAL 47 5.288 22.376 -7.873 374 HG23 VAL 47 HG23 VAL 47 5.664 23.370 -9.282 375 H GLU 48 H GLU 48 9.115 20.693 -9.782 376 HA GLU 48 HA GLU 48 9.870 17.910 -9.853 377 HB2 GLU 48 HB2 GLU 48 9.303 19.500 -12.386 378 HB3 GLU 48 HB1 GLU 48 10.104 17.942 -12.352 379 HG2 GLU 48 HG2 GLU 48 8.077 16.901 -11.478 380 HG3 GLU 48 HG1 GLU 48 7.270 18.463 -11.476 381 H ASN 49 H ASN 49 11.582 18.527 -8.712 382 HA ASN 49 HA ASN 49 13.457 20.474 -9.873 383 HB2 ASN 49 HB2 ASN 49 12.350 21.385 -7.877 384 HB3 ASN 49 HB1 ASN 49 12.785 19.951 -6.964 385 HD21 ASN 49 HD21 ASN 49 13.880 22.932 -8.287 386 HD22 ASN 49 HD22 ASN 49 15.407 22.978 -7.492 387 HA PRO 50 HA PRO 50 16.322 17.080 -10.043 388 HB2 PRO 50 HB2 PRO 50 18.647 18.542 -9.562 389 HB3 PRO 50 HB1 PRO 50 17.890 18.298 -11.136 390 HG2 PRO 50 HG2 PRO 50 17.682 20.615 -9.268 391 HG3 PRO 50 HG1 PRO 50 17.776 20.604 -11.038 392 HD2 PRO 50 HD2 PRO 50 15.471 21.031 -9.783 393 HD3 PRO 50 HD1 PRO 50 15.528 20.069 -11.276 394 H LYS 51 H LYS 51 16.780 19.346 -7.321 395 HA LYS 51 HA LYS 51 18.369 17.455 -5.855 396 HB2 LYS 51 HB2 LYS 51 17.086 20.014 -4.983 397 HB3 LYS 51 HB1 LYS 51 18.112 18.981 -3.982 398 HG2 LYS 51 HG2 LYS 51 19.971 19.317 -5.483 399 HG3 LYS 51 HG1 LYS 51 18.957 20.280 -6.561 400 HD2 LYS 51 HD2 LYS 51 20.342 21.697 -5.146 401 HD3 LYS 51 HD1 LYS 51 18.619 21.906 -4.809 402 HE2 LYS 51 HE2 LYS 51 18.812 20.459 -2.860 403 HE3 LYS 51 HE1 LYS 51 20.520 20.206 -3.191 404 HZ1 LYS 51 HZ1 LYS 51 20.178 21.868 -1.487 405 HZ2 LYS 51 HZ2 LYS 51 19.268 22.824 -2.542 406 HZ3 LYS 51 HZ3 LYS 51 20.907 22.558 -2.834 407 H GLN 52 H GLN 52 15.061 17.921 -6.258 408 HA GLN 52 HA GLN 52 14.229 16.981 -3.757 409 HB2 GLN 52 HB2 GLN 52 12.882 17.218 -6.403 410 HB3 GLN 52 HB1 GLN 52 12.070 16.468 -5.039 411 HG2 GLN 52 HG2 GLN 52 13.222 19.220 -5.007 412 HG3 GLN 52 HG1 GLN 52 11.536 18.878 -5.415 413 HE21 GLN 52 HE21 GLN 52 13.853 19.174 -2.910 414 HE22 GLN 52 HE22 GLN 52 12.794 18.912 -1.573 415 H GLN 53 H GLN 53 15.366 15.404 -6.630 416 HA GLN 53 HA GLN 53 14.046 12.907 -6.085 417 HB2 GLN 53 HB2 GLN 53 15.312 11.888 -7.853 418 HB3 GLN 53 HB1 GLN 53 14.812 13.480 -8.392 419 HG2 GLN 53 HG2 GLN 53 16.987 14.345 -8.170 420 HG3 GLN 53 HG1 GLN 53 17.513 12.954 -7.222 421 HE21 GLN 53 HE21 GLN 53 17.958 11.047 -8.248 422 HE22 GLN 53 HE22 GLN 53 18.182 10.936 -9.959 423 H GLN 54 H GLN 54 16.247 14.342 -4.331 424 HA GLN 54 HA GLN 54 18.280 12.585 -3.704 425 HB2 GLN 54 HB2 GLN 54 18.351 13.731 -1.515 426 HB3 GLN 54 HB1 GLN 54 18.072 14.877 -2.819 427 HG2 GLN 54 HG2 GLN 54 15.672 14.903 -2.275 428 HG3 GLN 54 HG1 GLN 54 15.966 13.818 -0.943 429 HE21 GLN 54 HE21 GLN 54 15.265 15.274 0.624 430 HE22 GLN 54 HE22 GLN 54 16.147 16.680 1.054 431 H HIS 55 H HIS 55 14.975 12.691 -2.452 432 HA HIS 55 HA HIS 55 15.350 10.430 -0.780 433 HB2 HIS 55 HB2 HIS 55 12.816 10.527 -0.488 434 HB3 HIS 55 HB1 HIS 55 13.719 11.934 0.034 435 HD1 HIS 55 HD1 HIS 55 11.975 13.743 -0.277 436 HD2 HIS 55 HD2 HIS 55 12.418 11.362 -3.629 437 HE1 HIS 55 HE1 HIS 55 10.520 14.778 -2.046 438 H LEU 56 H LEU 56 14.669 10.814 -4.031 439 HA LEU 56 HA LEU 56 13.331 8.276 -4.349 440 HB2 LEU 56 HB2 LEU 56 12.754 10.092 -5.892 441 HB3 LEU 56 HB1 LEU 56 14.418 10.241 -6.389 442 HG LEU 56 HG LEU 56 12.800 9.162 -8.034 443 HD11 LEU 56 HD11 LEU 56 15.245 7.580 -7.311 444 HD12 LEU 56 HD12 LEU 56 15.184 8.984 -8.377 445 HD13 LEU 56 HD13 LEU 56 14.372 7.487 -8.839 446 HD21 LEU 56 HD21 LEU 56 12.343 6.774 -7.759 447 HD22 LEU 56 HD22 LEU 56 11.582 7.754 -6.505 448 HD23 LEU 56 HD23 LEU 56 13.048 6.841 -6.141 449 H SER 57 H SER 57 16.536 9.642 -4.939 450 HA SER 57 HA SER 57 17.772 7.386 -5.933 451 HB2 SER 57 HB2 SER 57 18.922 9.527 -4.123 452 HB3 SER 57 HB1 SER 57 19.856 8.439 -5.153 453 HG SER 57 HG SER 57 18.678 9.305 -6.926 454 H LEU 58 H LEU 58 16.992 8.287 -2.655 455 HA LEU 58 HA LEU 58 18.325 6.034 -1.463 456 HB2 LEU 58 HB2 LEU 58 16.214 7.825 -0.255 457 HB3 LEU 58 HB1 LEU 58 17.364 6.837 0.606 458 HG LEU 58 HG LEU 58 18.087 9.182 -1.125 459 HD11 LEU 58 HD11 LEU 58 16.939 9.892 0.900 460 HD12 LEU 58 HD12 LEU 58 18.651 10.304 0.989 461 HD13 LEU 58 HD13 LEU 58 18.031 8.915 1.881 462 HD21 LEU 58 HD21 LEU 58 20.330 8.944 -0.114 463 HD22 LEU 58 HD22 LEU 58 19.867 7.547 -1.081 464 HD23 LEU 58 HD23 LEU 58 19.794 7.462 0.680 465 H CYS 59 H CYS 59 14.901 6.902 -1.857 466 HA CYS 59 HA CYS 59 13.768 4.601 -0.769 467 HB2 CYS 59 HB2 CYS 59 12.709 6.811 -1.196 468 HB3 CYS 59 HB1 CYS 59 12.645 6.409 -2.901 469 H CYS 60 H CYS 60 14.348 5.353 -4.258 470 HA CYS 60 HA CYS 60 13.402 2.952 -5.295 471 HB2 CYS 60 HB2 CYS 60 13.812 4.876 -6.723 472 HB3 CYS 60 HB1 CYS 60 15.521 4.854 -6.334 473 H ASN 61 H ASN 61 16.466 3.764 -3.845 474 HA ASN 61 HA ASN 61 17.806 1.376 -4.727 475 HB2 ASN 61 HB2 ASN 61 18.965 3.442 -4.352 476 HB3 ASN 61 HB1 ASN 61 18.574 3.420 -2.646 477 HD21 ASN 61 HD21 ASN 61 19.801 2.152 -1.266 478 HD22 ASN 61 HD22 ASN 61 21.205 1.295 -1.772 479 H GLN 62 H GLN 62 15.868 2.304 -2.086 480 HA GLN 62 HA GLN 62 16.670 0.099 -0.463 481 HB2 GLN 62 HB2 GLN 62 15.957 2.220 0.572 482 HB3 GLN 62 HB1 GLN 62 14.384 2.053 -0.174 483 HG2 GLN 62 HG2 GLN 62 14.210 1.484 2.141 484 HG3 GLN 62 HG1 GLN 62 13.971 0.038 1.170 485 HE21 GLN 62 HE21 GLN 62 17.116 1.423 1.797 486 HE22 GLN 62 HE22 GLN 62 17.688 0.172 2.819 487 H LEU 63 H LEU 63 13.825 0.972 -2.354 488 HA LEU 63 HA LEU 63 12.319 -1.342 -1.769 489 HB2 LEU 63 HB2 LEU 63 10.782 -0.546 -3.437 490 HB3 LEU 63 HB1 LEU 63 11.477 0.847 -2.638 491 HG LEU 63 HG LEU 63 13.099 0.895 -4.642 492 HD11 LEU 63 HD11 LEU 63 12.355 -1.178 -5.625 493 HD12 LEU 63 HD12 LEU 63 12.136 0.201 -6.708 494 HD13 LEU 63 HD13 LEU 63 10.743 -0.496 -5.859 495 HD21 LEU 63 HD21 LEU 63 11.514 2.321 -5.831 496 HD22 LEU 63 HD22 LEU 63 11.650 2.656 -4.101 497 HD23 LEU 63 HD23 LEU 63 10.241 1.777 -4.721 498 H GLN 64 H GLN 64 14.695 -0.629 -4.158 499 HA GLN 64 HA GLN 64 14.174 -2.765 -5.917 500 HB2 GLN 64 HB2 GLN 64 16.251 -2.229 -6.998 501 HB3 GLN 64 HB1 GLN 64 15.453 -0.743 -6.472 502 HG2 GLN 64 HG2 GLN 64 16.872 -0.509 -4.637 503 HG3 GLN 64 HG1 GLN 64 17.646 -2.069 -4.926 504 HE21 GLN 64 HE21 GLN 64 19.681 -1.162 -5.127 505 HE22 GLN 64 HE22 GLN 64 20.151 -0.199 -6.466 506 H GLU 65 H GLU 65 15.618 -2.776 -2.829 507 HA GLU 65 HA GLU 65 17.233 -5.096 -3.329 508 HB2 GLU 65 HB2 GLU 65 16.316 -3.940 -0.698 509 HB3 GLU 65 HB1 GLU 65 17.523 -5.203 -0.888 510 HG2 GLU 65 HG2 GLU 65 18.799 -3.521 -2.303 511 HG3 GLU 65 HG1 GLU 65 17.702 -2.318 -1.637 512 H VAL 66 H VAL 66 14.052 -4.376 -2.573 513 HA VAL 66 HA VAL 66 13.224 -6.965 -1.646 514 HB VAL 66 HB VAL 66 11.501 -4.824 -2.947 515 HG11 VAL 66 HG11 VAL 66 10.368 -6.948 -2.633 516 HG12 VAL 66 HG12 VAL 66 9.683 -5.690 -1.606 517 HG13 VAL 66 HG13 VAL 66 10.751 -6.911 -0.909 518 HG21 VAL 66 HG21 VAL 66 12.770 -3.777 -1.211 519 HG22 VAL 66 HG22 VAL 66 12.290 -5.026 -0.052 520 HG23 VAL 66 HG23 VAL 66 11.084 -3.920 -0.726 521 H GLU 67 H GLU 67 11.773 -8.355 -2.965 522 HA GLU 67 HA GLU 67 12.762 -9.211 -5.408 523 HB2 GLU 67 HB2 GLU 67 10.105 -9.470 -4.131 524 HB3 GLU 67 HB1 GLU 67 10.435 -10.231 -5.672 525 HG2 GLU 67 HG2 GLU 67 12.354 -11.372 -4.565 526 HG3 GLU 67 HG1 GLU 67 11.770 -10.711 -3.032 527 H LYS 68 H LYS 68 12.258 -8.939 -7.494 528 HA LYS 68 HA LYS 68 11.548 -6.447 -8.472 529 HB2 LYS 68 HB2 LYS 68 11.392 -7.520 -10.680 530 HB3 LYS 68 HB1 LYS 68 12.838 -8.013 -9.832 531 HG2 LYS 68 HG2 LYS 68 11.734 -10.126 -9.224 532 HG3 LYS 68 HG1 LYS 68 10.308 -9.615 -10.127 533 HD2 LYS 68 HD2 LYS 68 11.549 -11.016 -11.602 534 HD3 LYS 68 HD1 LYS 68 11.798 -9.325 -12.079 535 HE2 LYS 68 HE2 LYS 68 13.959 -9.285 -11.010 536 HE3 LYS 68 HE1 LYS 68 13.733 -10.936 -10.430 537 HZ1 LYS 68 HZ1 LYS 68 15.111 -10.866 -12.410 538 HZ2 LYS 68 HZ2 LYS 68 13.887 -10.097 -13.269 539 HZ3 LYS 68 HZ3 LYS 68 13.673 -11.682 -12.729 540 H GLN 69 H GLN 69 9.518 -9.155 -7.767 541 HA GLN 69 HA GLN 69 7.211 -8.067 -9.135 542 HB2 GLN 69 HB2 GLN 69 6.051 -10.044 -8.273 543 HB3 GLN 69 HB1 GLN 69 7.569 -10.485 -9.045 544 HG2 GLN 69 HG2 GLN 69 8.634 -10.661 -6.852 545 HG3 GLN 69 HG1 GLN 69 7.115 -10.224 -6.082 546 HE21 GLN 69 HE21 GLN 69 8.858 -12.655 -7.759 547 HE22 GLN 69 HE22 GLN 69 7.802 -13.962 -7.410 548 H CYS 70 H CYS 70 8.718 -7.384 -6.287 549 HA CYS 70 HA CYS 70 6.202 -6.616 -4.993 550 HB2 CYS 70 HB2 CYS 70 8.710 -7.597 -3.705 551 HB3 CYS 70 HB1 CYS 70 7.261 -7.115 -2.837 552 H GLN 71 H GLN 71 9.089 -5.532 -6.282 553 HA GLN 71 HA GLN 71 9.841 -3.321 -4.661 554 HB2 GLN 71 HB2 GLN 71 9.924 -3.824 -7.593 555 HB3 GLN 71 HB1 GLN 71 10.691 -2.410 -6.855 556 HG2 GLN 71 HG2 GLN 71 12.135 -3.818 -5.629 557 HG3 GLN 71 HG1 GLN 71 11.321 -5.282 -6.211 558 HE21 GLN 71 HE21 GLN 71 14.054 -4.796 -6.504 559 HE22 GLN 71 HE22 GLN 71 14.420 -4.598 -8.177 560 H CYS 72 H CYS 72 7.507 -3.610 -7.290 561 HA CYS 72 HA CYS 72 6.713 -0.907 -6.946 562 HB2 CYS 72 HB2 CYS 72 4.867 -1.545 -8.522 563 HB3 CYS 72 HB1 CYS 72 6.525 -1.657 -9.106 564 H GLU 73 H GLU 73 5.846 -3.878 -5.630 565 HA GLU 73 HA GLU 73 3.322 -3.074 -4.737 566 HB2 GLU 73 HB2 GLU 73 5.144 -5.230 -3.676 567 HB3 GLU 73 HB1 GLU 73 3.495 -5.025 -3.155 568 HG2 GLU 73 HG2 GLU 73 4.410 -5.674 -5.954 569 HG3 GLU 73 HG1 GLU 73 3.629 -6.779 -4.824 570 H ALA 74 H ALA 74 6.598 -2.835 -3.555 571 HA ALA 74 HA ALA 74 6.208 -2.062 -0.967 572 HB1 ALA 74 HB1 ALA 74 8.373 -1.173 -2.871 573 HB2 ALA 74 HB2 ALA 74 8.362 -2.663 -1.934 574 HB3 ALA 74 HB3 ALA 74 8.457 -1.109 -1.105 575 H ILE 75 H ILE 75 5.656 -0.451 -3.907 576 HA ILE 75 HA ILE 75 5.805 2.245 -3.016 577 HB ILE 75 HB ILE 75 4.348 1.087 -5.381 578 HG12 ILE 75 HG12 ILE 75 6.617 0.371 -5.504 579 HG13 ILE 75 HG11 ILE 75 6.412 1.664 -6.681 580 HG21 ILE 75 HG21 ILE 75 5.414 3.856 -4.951 581 HG22 ILE 75 HG22 ILE 75 3.747 3.355 -4.728 582 HG23 ILE 75 HG23 ILE 75 4.462 3.279 -6.329 583 HD11 ILE 75 HD11 ILE 75 8.503 1.873 -5.624 584 HD12 ILE 75 HD12 ILE 75 7.793 1.711 -4.027 585 HD13 ILE 75 HD13 ILE 75 7.494 3.179 -4.980 586 H LYS 76 H LYS 76 3.446 -0.288 -3.035 587 HA LYS 76 HA LYS 76 1.098 1.397 -2.924 588 HB2 LYS 76 HB2 LYS 76 1.432 -1.501 -2.098 589 HB3 LYS 76 HB1 LYS 76 -0.088 -0.674 -2.389 590 HG2 LYS 76 HG2 LYS 76 2.027 -1.245 -4.439 591 HG3 LYS 76 HG1 LYS 76 0.528 -2.152 -4.236 592 HD2 LYS 76 HD2 LYS 76 -0.727 -0.025 -4.669 593 HD3 LYS 76 HD1 LYS 76 0.829 0.739 -5.010 594 HE2 LYS 76 HE2 LYS 76 -0.316 0.071 -7.065 595 HE3 LYS 76 HE1 LYS 76 1.211 -0.779 -6.850 596 HZ1 LYS 76 HZ1 LYS 76 0.025 -2.734 -6.142 597 HZ2 LYS 76 HZ2 LYS 76 -0.579 -2.229 -7.608 598 HZ3 LYS 76 HZ3 LYS 76 -1.454 -1.921 -6.181 599 H GLN 77 H GLN 77 3.172 -0.324 -0.938 600 HA GLN 77 HA GLN 77 2.063 -0.205 1.611 601 HB2 GLN 77 HB2 GLN 77 4.968 0.057 0.917 602 HB3 GLN 77 HB1 GLN 77 4.285 -0.582 2.401 603 HG2 GLN 77 HG2 GLN 77 3.601 -1.863 -0.183 604 HG3 GLN 77 HG1 GLN 77 5.149 -2.209 0.510 605 HE21 GLN 77 HE21 GLN 77 2.987 -3.955 -0.051 606 HE22 GLN 77 HE22 GLN 77 2.533 -4.651 1.461 607 H VAL 78 H VAL 78 4.325 1.989 -0.065 608 HA VAL 78 HA VAL 78 4.676 3.925 1.913 609 HB VAL 78 HB VAL 78 4.407 4.750 -0.969 610 HG11 VAL 78 HG11 VAL 78 6.080 6.376 -0.454 611 HG12 VAL 78 HG12 VAL 78 6.165 5.767 1.201 612 HG13 VAL 78 HG13 VAL 78 4.676 6.503 0.612 613 HG21 VAL 78 HG21 VAL 78 5.805 2.738 -0.928 614 HG22 VAL 78 HG22 VAL 78 6.881 3.538 0.225 615 HG23 VAL 78 HG23 VAL 78 6.698 4.179 -1.407 616 H VAL 79 H VAL 79 2.214 3.622 -0.626 617 HA VAL 79 HA VAL 79 1.131 6.206 -0.160 618 HB VAL 79 HB VAL 79 -0.285 3.890 -1.486 619 HG11 VAL 79 HG11 VAL 79 -0.625 6.868 -1.803 620 HG12 VAL 79 HG12 VAL 79 -1.649 5.825 -0.844 621 HG13 VAL 79 HG13 VAL 79 -1.590 5.617 -2.608 622 HG21 VAL 79 HG21 VAL 79 1.548 5.944 -2.729 623 HG22 VAL 79 HG22 VAL 79 0.572 4.768 -3.617 624 HG23 VAL 79 HG23 VAL 79 1.867 4.217 -2.555 625 H GLU 80 H GLU 80 0.316 2.967 0.861 626 HA GLU 80 HA GLU 80 -2.076 3.570 2.193 627 HB2 GLU 80 HB2 GLU 80 -0.047 1.411 2.697 628 HB3 GLU 80 HB1 GLU 80 -1.563 1.530 3.572 629 HG2 GLU 80 HG2 GLU 80 -2.767 1.291 1.426 630 HG3 GLU 80 HG1 GLU 80 -1.209 1.080 0.619 631 H GLN 81 H GLN 81 1.239 3.346 3.460 632 HA GLN 81 HA GLN 81 0.428 4.021 6.103 633 HB2 GLN 81 HB2 GLN 81 2.841 4.185 6.603 634 HB3 GLN 81 HB1 GLN 81 2.409 2.687 5.793 635 HG2 GLN 81 HG2 GLN 81 3.224 3.651 3.663 636 HG3 GLN 81 HG1 GLN 81 3.680 5.096 4.535 637 HE21 GLN 81 HE21 GLN 81 4.099 1.971 5.991 638 HE22 GLN 81 HE22 GLN 81 5.835 2.015 5.881 639 H ALA 82 H ALA 82 1.661 5.943 3.418 640 HA ALA 82 HA ALA 82 2.128 8.206 5.013 641 HB1 ALA 82 HB1 ALA 82 3.247 7.874 2.868 642 HB2 ALA 82 HB2 ALA 82 2.380 9.414 2.891 643 HB3 ALA 82 HB3 ALA 82 1.704 8.031 2.031 644 H GLN 83 H GLN 83 -0.654 7.089 3.178 645 HA GLN 83 HA GLN 83 -2.039 9.554 3.546 646 HB2 GLN 83 HB2 GLN 83 -3.961 8.519 2.539 647 HB3 GLN 83 HB1 GLN 83 -2.533 8.052 1.632 648 HG2 GLN 83 HG2 GLN 83 -2.548 5.884 2.811 649 HG3 GLN 83 HG1 GLN 83 -4.048 6.365 3.603 650 HE21 GLN 83 HE21 GLN 83 -2.554 5.443 0.692 651 HE22 GLN 83 HE22 GLN 83 -3.984 5.150 -0.241 652 H LYS 84 H LYS 84 -1.938 6.446 5.195 653 HA LYS 84 HA LYS 84 -4.181 7.001 6.822 654 HB2 LYS 84 HB2 LYS 84 -3.556 5.036 8.164 655 HB3 LYS 84 HB1 LYS 84 -3.460 4.682 6.454 656 HG2 LYS 84 HG2 LYS 84 -1.567 3.616 7.305 657 HG3 LYS 84 HG1 LYS 84 -0.967 5.179 6.734 658 HD2 LYS 84 HD2 LYS 84 -0.946 6.063 8.898 659 HD3 LYS 84 HD1 LYS 84 -1.650 4.588 9.602 660 HE2 LYS 84 HE2 LYS 84 0.349 3.356 8.786 661 HE3 LYS 84 HE1 LYS 84 1.029 4.878 8.226 662 HZ1 LYS 84 HZ1 LYS 84 1.933 4.234 10.362 663 HZ2 LYS 84 HZ2 LYS 84 0.406 4.222 11.065 664 HZ3 LYS 84 HZ3 LYS 84 1.083 5.664 10.507 665 H GLN 85 H GLN 85 -0.817 7.767 7.102 666 HA GLN 85 HA GLN 85 -0.987 8.344 9.867 667 HB2 GLN 85 HB2 GLN 85 1.302 8.968 9.758 668 HB3 GLN 85 HB1 GLN 85 1.061 7.713 8.545 669 HG2 GLN 85 HG2 GLN 85 1.169 9.237 6.774 670 HG3 GLN 85 HG1 GLN 85 1.097 10.613 7.868 671 HE21 GLN 85 HE21 GLN 85 2.997 9.416 9.782 672 HE22 GLN 85 HE22 GLN 85 4.543 9.536 9.033 673 H LEU 86 H LEU 86 -1.492 10.180 6.979 674 HA LEU 86 HA LEU 86 -1.856 12.629 8.487 675 HB2 LEU 86 HB2 LEU 86 -1.750 11.945 5.606 676 HB3 LEU 86 HB1 LEU 86 -2.724 13.343 6.004 677 HG LEU 86 HG LEU 86 -0.434 13.926 5.336 678 HD11 LEU 86 HD11 LEU 86 0.030 15.450 7.192 679 HD12 LEU 86 HD12 LEU 86 -1.062 14.514 8.218 680 HD13 LEU 86 HD13 LEU 86 -1.698 15.389 6.831 681 HD21 LEU 86 HD21 LEU 86 0.325 12.473 7.845 682 HD22 LEU 86 HD22 LEU 86 1.381 13.551 6.958 683 HD23 LEU 86 HD23 LEU 86 0.811 12.051 6.197 684 H GLN 87 H GLN 87 -3.799 10.181 7.038 685 HA GLN 87 HA GLN 87 -6.324 11.383 7.155 686 HB2 GLN 87 HB2 GLN 87 -5.751 9.317 5.939 687 HB3 GLN 87 HB1 GLN 87 -5.582 8.475 7.470 688 HG2 GLN 87 HG2 GLN 87 -7.947 8.870 7.927 689 HG3 GLN 87 HG1 GLN 87 -8.110 9.670 6.363 690 HE21 GLN 87 HE21 GLN 87 -6.242 7.737 5.096 691 HE22 GLN 87 HE22 GLN 87 -7.138 6.275 4.917 692 H GLN 88 H GLN 88 -4.426 9.652 9.533 693 HA GLN 88 HA GLN 88 -6.525 9.583 11.525 694 HB2 GLN 88 HB2 GLN 88 -4.906 8.569 12.962 695 HB3 GLN 88 HB1 GLN 88 -4.764 7.843 11.358 696 HG2 GLN 88 HG2 GLN 88 -2.823 9.304 10.918 697 HG3 GLN 88 HG1 GLN 88 -2.960 9.942 12.549 698 HE21 GLN 88 HE21 GLN 88 -3.407 6.590 11.648 699 HE22 GLN 88 HE22 GLN 88 -2.026 5.988 12.485 700 H GLY 89 H GLY 89 -4.518 11.945 10.424 701 HA2 GLY 89 HA2 GLY 89 -4.001 13.175 13.006 702 HA3 GLY 89 HA1 GLY 89 -3.386 13.719 11.450 703 H GLN 90 H GLN 90 -4.069 15.668 11.196 704 HA GLN 90 HA GLN 90 -6.798 16.406 12.020 705 HB2 GLN 90 HB2 GLN 90 -4.415 18.149 11.418 706 HB3 GLN 90 HB1 GLN 90 -5.989 18.711 11.957 707 HG2 GLN 90 HG2 GLN 90 -5.714 17.596 14.069 708 HG3 GLN 90 HG1 GLN 90 -4.197 16.882 13.520 709 HE21 GLN 90 HE21 GLN 90 -2.388 18.177 13.327 710 HE22 GLN 90 HE22 GLN 90 -2.291 19.728 14.080 711 H GLY 91 H GLY 91 -4.800 15.923 9.280 712 HA2 GLY 91 HA2 GLY 91 -6.585 16.024 7.282 713 HA3 GLY 91 HA1 GLY 91 -6.245 17.726 7.579 714 H GLY 92 H GLY 92 -5.111 18.143 5.695 715 HA2 GLY 92 HA2 GLY 92 -2.965 18.513 4.950 716 HA3 GLY 92 HA1 GLY 92 -2.398 17.097 5.801 717 H GLN 93 H GLN 93 -4.793 15.660 4.602 718 HA GLN 93 HA GLN 93 -3.335 14.350 2.629 719 HB2 GLN 93 HB2 GLN 93 -6.316 14.365 3.041 720 HB3 GLN 93 HB1 GLN 93 -5.494 13.305 1.906 721 HG2 GLN 93 HG2 GLN 93 -4.178 12.397 3.826 722 HG3 GLN 93 HG1 GLN 93 -5.197 13.353 4.900 723 HE21 GLN 93 HE21 GLN 93 -5.071 10.699 2.696 724 HE22 GLN 93 HE22 GLN 93 -6.547 9.956 3.158 725 H GLN 94 H GLN 94 -5.410 17.107 2.260 726 HA GLN 94 HA GLN 94 -5.479 16.924 -0.615 727 HB2 GLN 94 HB2 GLN 94 -6.431 19.185 -0.565 728 HB3 GLN 94 HB1 GLN 94 -7.276 18.089 0.523 729 HG2 GLN 94 HG2 GLN 94 -6.203 19.030 2.415 730 HG3 GLN 94 HG1 GLN 94 -5.116 19.949 1.385 731 HE21 GLN 94 HE21 GLN 94 -5.764 21.908 2.331 732 HE22 GLN 94 HE22 GLN 94 -7.298 22.622 1.992 733 H GLN 95 H GLN 95 -3.452 18.538 1.730 734 HA GLN 95 HA GLN 95 -2.143 20.097 -0.322 735 HB2 GLN 95 HB2 GLN 95 -0.744 21.007 1.478 736 HB3 GLN 95 HB1 GLN 95 -2.471 21.171 1.869 737 HG2 GLN 95 HG2 GLN 95 -2.214 19.180 3.272 738 HG3 GLN 95 HG1 GLN 95 -0.489 19.205 2.963 739 HE21 GLN 95 HE21 GLN 95 -2.478 22.070 3.477 740 HE22 GLN 95 HE22 GLN 95 -1.747 22.505 4.975 741 H VAL 96 H VAL 96 -1.417 17.521 1.839 742 HA VAL 96 HA VAL 96 1.195 16.899 1.020 743 HB VAL 96 HB VAL 96 -0.924 15.063 2.225 744 HG11 VAL 96 HG11 VAL 96 0.964 13.696 2.980 745 HG12 VAL 96 HG12 VAL 96 2.007 14.639 1.877 746 HG13 VAL 96 HG13 VAL 96 0.681 13.676 1.241 747 HG21 VAL 96 HG21 VAL 96 0.220 15.464 4.342 748 HG22 VAL 96 HG22 VAL 96 -0.427 16.942 3.664 749 HG23 VAL 96 HG23 VAL 96 1.311 16.606 3.550 750 H GLN 97 H GLN 97 -1.845 16.337 -0.464 751 HA GLN 97 HA GLN 97 -1.603 14.081 -1.998 752 HB2 GLN 97 HB2 GLN 97 -3.590 15.436 -1.991 753 HB3 GLN 97 HB1 GLN 97 -2.733 16.737 -2.806 754 HG2 GLN 97 HG2 GLN 97 -2.434 15.294 -4.757 755 HG3 GLN 97 HG1 GLN 97 -3.364 14.029 -3.963 756 HE21 GLN 97 HE21 GLN 97 -4.966 14.079 -5.543 757 HE22 GLN 97 HE22 GLN 97 -6.064 15.404 -5.723 758 H GLN 98 H GLN 98 -0.209 17.255 -2.780 759 HA GLN 98 HA GLN 98 0.686 16.496 -5.358 760 HB2 GLN 98 HB2 GLN 98 1.860 18.603 -5.427 761 HB3 GLN 98 HB1 GLN 98 0.264 18.843 -4.739 762 HG2 GLN 98 HG2 GLN 98 1.231 18.867 -2.513 763 HG3 GLN 98 HG1 GLN 98 2.840 18.654 -3.198 764 HE21 GLN 98 HE21 GLN 98 3.693 20.556 -2.558 765 HE22 GLN 98 HE22 GLN 98 3.153 22.101 -3.113 766 H MET 99 H MET 99 1.929 15.864 -2.266 767 HA MET 99 HA MET 99 4.658 15.400 -3.305 768 HB2 MET 99 HB2 MET 99 3.863 16.654 -1.031 769 HB3 MET 99 HB1 MET 99 3.930 15.002 -0.489 770 HG2 MET 99 HG2 MET 99 6.003 16.052 0.015 771 HG3 MET 99 HG1 MET 99 6.196 14.743 -1.156 772 HE1 MET 99 HE1 MET 99 8.650 15.668 -1.584 773 HE2 MET 99 HE2 MET 99 8.386 17.014 -0.475 774 HE3 MET 99 HE3 MET 99 9.009 17.316 -2.099 775 H VAL 100 H VAL 100 2.100 13.899 -1.445 776 HA VAL 100 HA VAL 100 3.325 11.361 -1.447 777 HB VAL 100 HB VAL 100 1.569 11.963 0.181 778 HG11 VAL 100 HG11 VAL 100 0.076 13.131 -1.231 779 HG12 VAL 100 HG12 VAL 100 -0.788 11.822 -0.410 780 HG13 VAL 100 HG13 VAL 100 -0.330 11.660 -2.116 781 HG21 VAL 100 HG21 VAL 100 0.946 9.495 -1.418 782 HG22 VAL 100 HG22 VAL 100 0.403 9.803 0.238 783 HG23 VAL 100 HG23 VAL 100 2.127 9.630 -0.116 784 H LYS 101 H LYS 101 1.375 12.911 -3.919 785 HA LYS 101 HA LYS 101 0.759 10.691 -5.497 786 HB2 LYS 101 HB2 LYS 101 0.791 12.150 -7.432 787 HB3 LYS 101 HB1 LYS 101 0.062 12.990 -6.065 788 HG2 LYS 101 HG2 LYS 101 1.783 14.451 -5.851 789 HG3 LYS 101 HG1 LYS 101 2.963 13.324 -6.510 790 HD2 LYS 101 HD2 LYS 101 2.127 13.616 -8.677 791 HD3 LYS 101 HD1 LYS 101 0.832 14.718 -8.138 792 HE2 LYS 101 HE2 LYS 101 2.650 16.223 -7.271 793 HE3 LYS 101 HE1 LYS 101 3.828 15.142 -8.004 794 HZ1 LYS 101 HZ1 LYS 101 2.795 15.634 -10.171 795 HZ2 LYS 101 HZ2 LYS 101 3.455 16.975 -9.410 796 HZ3 LYS 101 HZ3 LYS 101 1.789 16.774 -9.408 797 H LYS 102 H LYS 102 3.880 12.191 -4.845 798 HA LYS 102 HA LYS 102 5.218 11.306 -7.111 799 HB2 LYS 102 HB2 LYS 102 6.182 11.995 -4.353 800 HB3 LYS 102 HB1 LYS 102 7.247 11.692 -5.719 801 HG2 LYS 102 HG2 LYS 102 6.527 13.619 -6.853 802 HG3 LYS 102 HG1 LYS 102 5.108 13.796 -5.818 803 HD2 LYS 102 HD2 LYS 102 6.869 15.428 -5.288 804 HD3 LYS 102 HD1 LYS 102 6.509 14.361 -3.936 805 HE2 LYS 102 HE2 LYS 102 8.845 14.624 -4.071 806 HE3 LYS 102 HE1 LYS 102 8.465 12.989 -4.561 807 HZ1 LYS 102 HZ1 LYS 102 9.008 15.222 -6.422 808 HZ2 LYS 102 HZ2 LYS 102 8.696 13.624 -6.871 809 HZ3 LYS 102 HZ3 LYS 102 10.111 13.999 -6.035 810 H ALA 103 H ALA 103 4.360 9.871 -4.093 811 HA ALA 103 HA ALA 103 6.002 7.587 -4.144 812 HB1 ALA 103 HB1 ALA 103 4.660 8.160 -2.170 813 HB2 ALA 103 HB2 ALA 103 4.310 6.517 -2.708 814 HB3 ALA 103 HB3 ALA 103 3.183 7.823 -3.072 815 H GLN 104 H GLN 104 2.885 8.295 -5.561 816 HA GLN 104 HA GLN 104 2.462 5.692 -6.678 817 HB2 GLN 104 HB2 GLN 104 1.173 8.340 -7.358 818 HB3 GLN 104 HB1 GLN 104 0.582 6.757 -7.849 819 HG2 GLN 104 HG2 GLN 104 0.304 6.171 -5.444 820 HG3 GLN 104 HG1 GLN 104 0.789 7.809 -5.037 821 HE21 GLN 104 HE21 GLN 104 -0.650 9.505 -5.390 822 HE22 GLN 104 HE22 GLN 104 -2.309 9.215 -5.739 823 H MET 105 H MET 105 4.348 8.380 -7.634 824 HA MET 105 HA MET 105 4.476 7.522 -10.418 825 HB2 MET 105 HB2 MET 105 6.184 9.591 -9.118 826 HB3 MET 105 HB1 MET 105 5.903 9.372 -10.827 827 HG2 MET 105 HG2 MET 105 3.471 9.852 -10.348 828 HG3 MET 105 HG1 MET 105 3.996 10.437 -8.782 829 HE1 MET 105 HE1 MET 105 6.008 12.416 -8.576 830 HE2 MET 105 HE2 MET 105 6.648 13.224 -10.008 831 HE3 MET 105 HE3 MET 105 6.937 11.510 -9.765 832 H LEU 106 H LEU 106 5.997 6.744 -7.545 833 HA LEU 106 HA LEU 106 8.684 6.516 -8.152 834 HB2 LEU 106 HB2 LEU 106 7.005 4.771 -6.395 835 HB3 LEU 106 HB1 LEU 106 8.745 4.663 -6.469 836 HG LEU 106 HG LEU 106 7.147 7.050 -5.575 837 HD11 LEU 106 HD11 LEU 106 7.003 5.220 -3.980 838 HD12 LEU 106 HD12 LEU 106 8.021 6.505 -3.329 839 HD13 LEU 106 HD13 LEU 106 8.758 5.047 -3.991 840 HD21 LEU 106 HD21 LEU 106 9.261 7.738 -6.542 841 HD22 LEU 106 HD22 LEU 106 10.117 6.571 -5.531 842 HD23 LEU 106 HD23 LEU 106 9.298 7.945 -4.790 843 HA PRO 107 HA PRO 107 7.888 2.015 -9.928 844 HB2 PRO 107 HB2 PRO 107 5.503 1.906 -11.341 845 HB3 PRO 107 HB1 PRO 107 5.767 1.184 -9.752 846 HG2 PRO 107 HG2 PRO 107 4.516 3.805 -10.456 847 HG3 PRO 107 HG1 PRO 107 4.032 2.621 -9.226 848 HD2 PRO 107 HD2 PRO 107 5.370 4.843 -8.521 849 HD3 PRO 107 HD1 PRO 107 5.723 3.298 -7.748 850 H ASN 108 H ASN 108 6.858 5.090 -11.345 851 HA ASN 108 HA ASN 108 7.642 4.265 -13.945 852 HB2 ASN 108 HB2 ASN 108 6.640 6.795 -12.690 853 HB3 ASN 108 HB1 ASN 108 7.143 6.702 -14.371 854 HD21 ASN 108 HD21 ASN 108 5.851 5.550 -15.805 855 HD22 ASN 108 HD22 ASN 108 4.244 5.063 -15.433 856 H GLN 109 H GLN 109 8.740 6.336 -11.331 857 HA GLN 109 HA GLN 109 11.000 7.351 -12.745 858 HB2 GLN 109 HB2 GLN 109 10.396 7.399 -9.787 859 HB3 GLN 109 HB1 GLN 109 11.666 8.322 -10.579 860 HG2 GLN 109 HG2 GLN 109 8.706 8.598 -11.069 861 HG3 GLN 109 HG1 GLN 109 9.714 9.705 -10.140 862 HE21 GLN 109 HE21 GLN 109 8.095 10.158 -12.539 863 HE22 GLN 109 HE22 GLN 109 9.156 10.787 -13.725 864 H CYS 110 H CYS 110 10.553 4.704 -10.483 865 HA CYS 110 HA CYS 110 13.417 4.187 -10.386 866 HB2 CYS 110 HB2 CYS 110 11.873 4.006 -8.375 867 HB3 CYS 110 HB1 CYS 110 11.140 2.630 -9.135 868 H ASN 111 H ASN 111 10.964 3.560 -12.467 869 HA ASN 111 HA ASN 111 10.601 2.230 -14.241 870 HB2 ASN 111 HB2 ASN 111 12.965 2.857 -14.774 871 HB3 ASN 111 HB1 ASN 111 13.516 1.419 -13.930 872 HD21 ASN 111 HD21 ASN 111 14.495 0.616 -15.808 873 HD22 ASN 111 HD22 ASN 111 13.578 0.001 -17.132 874 H LEU 112 H LEU 112 9.545 1.283 -12.181 875 HA LEU 112 HA LEU 112 10.262 -1.489 -11.668 876 HB2 LEU 112 HB2 LEU 112 7.985 0.131 -10.543 877 HB3 LEU 112 HB1 LEU 112 8.558 -1.415 -9.958 878 HG LEU 112 HG LEU 112 10.103 1.155 -9.891 879 HD11 LEU 112 HD11 LEU 112 8.331 1.175 -8.214 880 HD12 LEU 112 HD12 LEU 112 9.892 0.963 -7.441 881 HD13 LEU 112 HD13 LEU 112 8.833 -0.420 -7.655 882 HD21 LEU 112 HD21 LEU 112 11.768 -0.094 -8.608 883 HD22 LEU 112 HD22 LEU 112 11.574 -0.736 -10.230 884 HD23 LEU 112 HD23 LEU 112 10.849 -1.580 -8.858 885 H GLN 113 H GLN 113 8.607 -3.135 -11.745 886 HA GLN 113 HA GLN 113 7.418 -3.200 -14.364 887 HB2 GLN 113 HB2 GLN 113 7.402 -5.277 -12.190 888 HB3 GLN 113 HB1 GLN 113 7.056 -5.548 -13.894 889 HG2 GLN 113 HG2 GLN 113 9.345 -4.825 -14.421 890 HG3 GLN 113 HG1 GLN 113 9.633 -4.680 -12.689 891 HE21 GLN 113 HE21 GLN 113 8.046 -7.087 -12.064 892 HE22 GLN 113 HE22 GLN 113 9.021 -8.419 -12.543 893 H CYS 114 H CYS 114 6.082 -1.353 -12.925 894 HA CYS 114 HA CYS 114 3.383 -2.304 -12.814 895 HB2 CYS 114 HB2 CYS 114 5.019 -1.534 -10.515 896 HB3 CYS 114 HB1 CYS 114 3.270 -1.234 -10.382 897 H SER 115 H SER 115 1.945 -0.379 -12.513 898 HA SER 115 HA SER 115 3.204 2.200 -12.677 899 HB2 SER 115 HB2 SER 115 1.723 2.750 -14.680 900 HB3 SER 115 HB1 SER 115 3.075 1.670 -15.019 901 HG SER 115 HG SER 115 0.331 1.128 -14.862 902 H ILE 116 H ILE 116 1.862 3.802 -11.821 903 HA ILE 116 HA ILE 116 -0.664 2.801 -10.774 904 HB ILE 116 HB ILE 116 1.215 4.796 -9.446 905 HG12 ILE 116 HG12 ILE 116 0.412 2.010 -8.623 906 HG13 ILE 116 HG11 ILE 116 1.934 2.392 -9.416 907 HG21 ILE 116 HG21 ILE 116 -1.420 3.639 -8.486 908 HG22 ILE 116 HG22 ILE 116 -1.163 5.303 -9.007 909 HG23 ILE 116 HG23 ILE 116 -0.364 4.700 -7.555 910 HD11 ILE 116 HD11 ILE 116 2.538 3.754 -7.472 911 HD12 ILE 116 HD12 ILE 116 2.221 2.068 -7.070 912 HD13 ILE 116 HD13 ILE 116 1.010 3.304 -6.699 Start of MODEL 11 1 H1 GLY 1 H GLY 1 -11.035 -7.101 -10.718 2 H2 GLY 1 HT1 GLY 1 -10.358 -8.345 -10.073 3 H3 GLY 1 HT2 GLY 1 -11.205 -7.028 -10.707 4 HA2 GLY 1 HA1 GLY 1 -11.551 -7.247 -8.326 5 HA3 GLY 1 HA2 GLY 1 -13.043 -7.496 -9.229 6 H ARG 2 H ARG 2 -13.620 -8.629 -7.161 7 HA ARG 2 HA ARG 2 -12.416 -11.296 -6.966 8 HB2 ARG 2 HB2 ARG 2 -14.498 -10.005 -5.205 9 HB3 ARG 2 HB1 ARG 2 -13.701 -11.543 -4.919 10 HG2 ARG 2 HG2 ARG 2 -11.559 -10.376 -4.647 11 HG3 ARG 2 HG1 ARG 2 -12.402 -8.854 -4.984 12 HD2 ARG 2 HD2 ARG 2 -12.979 -10.688 -2.668 13 HD3 ARG 2 HD1 ARG 2 -12.083 -9.174 -2.572 14 HE ARG 2 HE ARG 2 -14.926 -9.484 -3.182 15 HH11 ARG 2 HH11 ARG 2 -12.284 -7.435 -1.993 16 HH12 ARG 2 HH12 ARG 2 -13.287 -6.043 -1.908 17 HH21 ARG 2 HH21 ARG 2 -16.247 -7.569 -2.939 18 HH22 ARG 2 HH22 ARG 2 -15.538 -6.118 -2.386 19 H CYS 3 H CYS 3 -13.318 -13.017 -7.707 20 HA CYS 3 HA CYS 3 -16.026 -12.754 -8.802 21 HB2 CYS 3 HB2 CYS 3 -13.871 -14.655 -9.696 22 HB3 CYS 3 HB1 CYS 3 -15.376 -14.295 -10.511 23 H THR 4 H THR 4 -17.441 -14.458 -8.431 24 HA THR 4 HA THR 4 -16.852 -16.119 -6.185 25 HB THR 4 HB THR 4 -19.139 -17.054 -6.588 26 HG1 THR 4 HG1 THR 4 -20.348 -16.374 -8.234 27 HG21 THR 4 HG21 THR 4 -20.418 -14.985 -6.210 28 HG22 THR 4 HG22 THR 4 -19.017 -14.037 -6.696 29 HG23 THR 4 HG23 THR 4 -18.948 -15.028 -5.232 30 H LYS 5 H LYS 5 -16.612 -18.378 -6.233 31 HA LYS 5 HA LYS 5 -15.638 -19.369 -8.763 32 HB2 LYS 5 HB2 LYS 5 -15.457 -20.492 -5.964 33 HB3 LYS 5 HB1 LYS 5 -15.052 -21.457 -7.367 34 HG2 LYS 5 HG2 LYS 5 -13.014 -20.620 -6.456 35 HG3 LYS 5 HG1 LYS 5 -13.319 -19.763 -7.953 36 HD2 LYS 5 HD2 LYS 5 -12.477 -18.234 -6.287 37 HD3 LYS 5 HD1 LYS 5 -14.162 -17.842 -6.629 38 HE2 LYS 5 HE2 LYS 5 -14.879 -18.896 -4.603 39 HE3 LYS 5 HE1 LYS 5 -13.270 -19.542 -4.301 40 HZ1 LYS 5 HZ1 LYS 5 -12.459 -17.305 -4.016 41 HZ2 LYS 5 HZ2 LYS 5 -13.742 -17.585 -2.957 42 HZ3 LYS 5 HZ3 LYS 5 -13.972 -16.659 -4.341 43 H SER 6 H SER 6 -17.797 -19.147 -9.558 44 HA SER 6 HA SER 6 -19.184 -21.675 -9.399 45 HB2 SER 6 HB2 SER 6 -20.265 -20.090 -7.757 46 HB3 SER 6 HB1 SER 6 -20.560 -18.981 -9.092 47 HG SER 6 HG SER 6 -21.515 -21.641 -8.906 48 H ILE 7 H ILE 7 -20.860 -21.584 -11.261 49 HA ILE 7 HA ILE 7 -19.936 -19.907 -13.483 50 HB ILE 7 HB ILE 7 -20.655 -22.860 -13.573 51 HG12 ILE 7 HG12 ILE 7 -18.377 -22.340 -12.740 52 HG13 ILE 7 HG11 ILE 7 -18.349 -23.276 -14.240 53 HG21 ILE 7 HG21 ILE 7 -20.167 -22.770 -15.975 54 HG22 ILE 7 HG22 ILE 7 -19.942 -21.026 -15.862 55 HG23 ILE 7 HG23 ILE 7 -21.526 -21.732 -15.542 56 HD11 ILE 7 HD11 ILE 7 -17.861 -21.160 -15.441 57 HD12 ILE 7 HD12 ILE 7 -16.636 -21.584 -14.246 58 HD13 ILE 7 HD13 ILE 7 -17.816 -20.327 -13.884 59 HA PRO 8 HA PRO 8 -20.623 -18.641 -14.928 60 HB2 PRO 8 HB2 PRO 8 -22.413 -16.366 -14.482 61 HB3 PRO 8 HB1 PRO 8 -21.750 -17.005 -15.993 62 HG2 PRO 8 HG2 PRO 8 -24.363 -17.247 -15.378 63 HG3 PRO 8 HG1 PRO 8 -23.487 -18.498 -16.279 64 HD2 PRO 8 HD2 PRO 8 -24.193 -18.406 -13.372 65 HD3 PRO 8 HD1 PRO 8 -24.317 -19.761 -14.517 66 HA PRO 9 HA PRO 9 -18.988 -16.995 -11.177 67 HB2 PRO 9 HB2 PRO 9 -16.939 -15.514 -12.183 68 HB3 PRO 9 HB1 PRO 9 -16.891 -17.277 -12.065 69 HG2 PRO 9 HG2 PRO 9 -17.445 -15.547 -14.431 70 HG3 PRO 9 HG1 PRO 9 -16.542 -17.069 -14.345 71 HD2 PRO 9 HD2 PRO 9 -19.127 -16.865 -15.236 72 HD3 PRO 9 HD1 PRO 9 -18.440 -18.336 -14.522 73 H ILE 10 H ILE 10 -19.345 -15.180 -9.968 74 HA ILE 10 HA ILE 10 -20.422 -12.805 -11.325 75 HB ILE 10 HB ILE 10 -20.582 -13.524 -8.385 76 HG12 ILE 10 HG12 ILE 10 -21.656 -15.332 -9.618 77 HG13 ILE 10 HG11 ILE 10 -22.874 -14.371 -8.789 78 HG21 ILE 10 HG21 ILE 10 -22.464 -11.949 -8.360 79 HG22 ILE 10 HG22 ILE 10 -22.215 -11.642 -10.079 80 HG23 ILE 10 HG23 ILE 10 -20.971 -11.187 -8.914 81 HD11 ILE 10 HD11 ILE 10 -22.188 -14.294 -11.717 82 HD12 ILE 10 HD12 ILE 10 -23.349 -13.232 -10.925 83 HD13 ILE 10 HD13 ILE 10 -23.647 -14.977 -10.988 84 H CYS 11 H CYS 11 -18.891 -11.191 -11.461 85 HA CYS 11 HA CYS 11 -16.885 -11.197 -9.330 86 HB2 CYS 11 HB2 CYS 11 -16.207 -11.810 -11.810 87 HB3 CYS 11 HB1 CYS 11 -16.245 -10.038 -11.985 88 H PHE 12 H PHE 12 -16.521 -9.500 -8.279 89 HA PHE 12 HA PHE 12 -18.159 -7.153 -8.798 90 HB2 PHE 12 HB2 PHE 12 -16.878 -8.315 -6.366 91 HB3 PHE 12 HB1 PHE 12 -17.336 -6.620 -6.360 92 HD1 PHE 12 HD1 PHE 12 -18.578 -10.084 -6.641 93 HD2 PHE 12 HD2 PHE 12 -19.634 -5.988 -6.240 94 HE1 PHE 12 HE1 PHE 12 -20.898 -10.736 -6.144 95 HE2 PHE 12 HE2 PHE 12 -21.945 -6.620 -5.743 96 HZ PHE 12 HZ PHE 12 -22.589 -9.004 -5.692 97 HA PRO 13 HA PRO 13 -14.708 -4.847 -10.041 98 HB2 PRO 13 HB2 PRO 13 -15.506 -2.316 -9.607 99 HB3 PRO 13 HB1 PRO 13 -16.251 -3.341 -10.836 100 HG2 PRO 13 HG2 PRO 13 -17.232 -2.629 -8.109 101 HG3 PRO 13 HG1 PRO 13 -18.147 -2.823 -9.613 102 HD2 PRO 13 HD2 PRO 13 -17.957 -4.721 -7.613 103 HD3 PRO 13 HD1 PRO 13 -18.388 -5.075 -9.292 104 H ASP 14 H ASP 14 -15.045 -5.393 -6.963 105 HA ASP 14 HA ASP 14 -12.910 -3.577 -6.152 106 HB2 ASP 14 HB2 ASP 14 -14.941 -3.007 -4.926 107 HB3 ASP 14 HB1 ASP 14 -15.173 -4.702 -4.504 108 H GLY 15 H GLY 15 -11.216 -4.532 -5.277 109 HA2 GLY 15 HA2 GLY 15 -11.265 -7.176 -4.246 110 HA3 GLY 15 HA1 GLY 15 -10.544 -7.110 -5.854 111 H LEU 16 H LEU 16 -8.537 -6.170 -6.149 112 HA LEU 16 HA LEU 16 -7.269 -4.985 -3.934 113 HB2 LEU 16 HB2 LEU 16 -5.282 -6.489 -4.165 114 HB3 LEU 16 HB1 LEU 16 -6.676 -7.298 -3.512 115 HG LEU 16 HG LEU 16 -5.400 -8.772 -4.934 116 HD11 LEU 16 HD11 LEU 16 -8.016 -8.103 -6.190 117 HD12 LEU 16 HD12 LEU 16 -7.694 -9.263 -4.900 118 HD13 LEU 16 HD13 LEU 16 -7.074 -9.555 -6.528 119 HD21 LEU 16 HD21 LEU 16 -5.840 -6.795 -7.167 120 HD22 LEU 16 HD22 LEU 16 -5.190 -8.423 -7.386 121 HD23 LEU 16 HD23 LEU 16 -4.304 -7.232 -6.430 122 H ASP 17 H ASP 17 -5.254 -4.145 -4.717 123 HA ASP 17 HA ASP 17 -5.242 -3.780 -7.606 124 HB2 ASP 17 HB2 ASP 17 -4.798 -1.427 -7.512 125 HB3 ASP 17 HB1 ASP 17 -6.235 -1.793 -6.564 126 H ASN 18 H ASN 18 -3.693 -4.992 -5.294 127 HA ASN 18 HA ASN 18 -1.011 -4.470 -6.395 128 HB2 ASN 18 HB2 ASN 18 -1.865 -5.738 -3.775 129 HB3 ASN 18 HB1 ASN 18 -0.230 -5.883 -4.393 130 HD21 ASN 18 HD21 ASN 18 0.633 -4.825 -2.648 131 HD22 ASN 18 HD22 ASN 18 0.429 -3.130 -2.377 132 HA PRO 19 HA PRO 19 -2.191 -8.086 -8.791 133 HB2 PRO 19 HB2 PRO 19 0.623 -7.876 -9.705 134 HB3 PRO 19 HB1 PRO 19 -0.871 -7.938 -10.641 135 HG2 PRO 19 HG2 PRO 19 0.475 -5.655 -10.356 136 HG3 PRO 19 HG1 PRO 19 -1.303 -5.698 -10.374 137 HD2 PRO 19 HD2 PRO 19 0.566 -5.386 -8.074 138 HD3 PRO 19 HD1 PRO 19 -1.003 -4.607 -8.391 139 H ARG 20 H ARG 20 0.712 -7.866 -6.896 140 HA ARG 20 HA ARG 20 0.866 -10.812 -6.807 141 HB2 ARG 20 HB2 ARG 20 2.898 -8.887 -5.624 142 HB3 ARG 20 HB1 ARG 20 3.065 -10.623 -5.761 143 HG2 ARG 20 HG2 ARG 20 4.448 -9.664 -7.405 144 HG3 ARG 20 HG1 ARG 20 3.040 -10.298 -8.271 145 HD2 ARG 20 HD2 ARG 20 2.037 -8.080 -8.174 146 HD3 ARG 20 HD1 ARG 20 3.467 -7.471 -7.383 147 HE ARG 20 HE ARG 20 4.049 -8.702 -9.885 148 HH11 ARG 20 HH11 ARG 20 2.922 -5.723 -8.286 149 HH12 ARG 20 HH12 ARG 20 3.424 -4.714 -9.539 150 HH21 ARG 20 HH21 ARG 20 4.705 -7.223 -11.673 151 HH22 ARG 20 HH22 ARG 20 4.422 -5.556 -11.509 152 H GLY 21 H GLY 21 0.927 -7.955 -4.761 153 HA2 GLY 21 HA2 GLY 21 -0.221 -7.666 -2.772 154 HA3 GLY 21 HA1 GLY 21 -0.619 -9.409 -2.797 155 H CYS 22 H CYS 22 2.415 -8.042 -3.349 156 HA CYS 22 HA CYS 22 3.763 -9.599 -1.471 157 HB2 CYS 22 HB2 CYS 22 4.416 -7.112 -2.957 158 HB3 CYS 22 HB1 CYS 22 5.570 -7.807 -1.863 159 H GLN 23 H GLN 23 4.237 -9.205 0.637 160 HA GLN 23 HA GLN 23 3.357 -6.642 1.660 161 HB2 GLN 23 HB2 GLN 23 3.420 -7.641 3.906 162 HB3 GLN 23 HB1 GLN 23 2.348 -8.512 2.818 163 HG2 GLN 23 HG2 GLN 23 4.000 -10.240 2.540 164 HG3 GLN 23 HG1 GLN 23 5.130 -9.363 3.565 165 HE21 GLN 23 HE21 GLN 23 5.261 -10.986 5.060 166 HE22 GLN 23 HE22 GLN 23 4.008 -11.378 6.163 167 H ILE 24 H ILE 24 4.721 -5.234 2.118 168 HA ILE 24 HA ILE 24 7.577 -5.898 2.479 169 HB ILE 24 HB ILE 24 6.491 -3.400 1.092 170 HG12 ILE 24 HG12 ILE 24 7.667 -4.517 -0.991 171 HG13 ILE 24 HG11 ILE 24 7.334 -5.993 -0.095 172 HG21 ILE 24 HG21 ILE 24 9.285 -4.534 1.202 173 HG22 ILE 24 HG22 ILE 24 8.709 -3.083 2.054 174 HG23 ILE 24 HG23 ILE 24 8.739 -3.145 0.276 175 HD11 ILE 24 HD11 ILE 24 4.971 -5.463 -0.084 176 HD12 ILE 24 HD12 ILE 24 5.629 -5.585 -1.710 177 HD13 ILE 24 HD13 ILE 24 5.294 -3.998 -1.016 178 H ARG 25 H ARG 25 8.460 -4.985 4.123 179 HA ARG 25 HA ARG 25 6.706 -4.192 6.155 180 HB2 ARG 25 HB2 ARG 25 8.705 -4.004 7.533 181 HB3 ARG 25 HB1 ARG 25 8.748 -5.476 6.574 182 HG2 ARG 25 HG2 ARG 25 10.165 -4.169 4.940 183 HG3 ARG 25 HG1 ARG 25 10.298 -2.954 6.206 184 HD2 ARG 25 HD2 ARG 25 12.181 -4.356 6.317 185 HD3 ARG 25 HD1 ARG 25 11.119 -4.713 7.708 186 HE ARG 25 HE ARG 25 10.422 -6.474 5.735 187 HH11 ARG 25 HH11 ARG 25 13.359 -5.789 7.568 188 HH12 ARG 25 HH12 ARG 25 13.997 -7.358 7.388 189 HH21 ARG 25 HH21 ARG 25 11.285 -8.613 5.487 190 HH22 ARG 25 HH22 ARG 25 12.799 -8.997 6.147 191 H ILE 26 H ILE 26 5.954 -2.314 6.613 192 HA ILE 26 HA ILE 26 6.467 -0.109 4.963 193 HB ILE 26 HB ILE 26 4.942 1.176 6.376 194 HG12 ILE 26 HG12 ILE 26 3.582 -0.205 8.128 195 HG13 ILE 26 HG11 ILE 26 4.978 -1.263 8.166 196 HG21 ILE 26 HG21 ILE 26 4.050 -0.138 4.590 197 HG22 ILE 26 HG22 ILE 26 2.937 -0.216 5.962 198 HG23 ILE 26 HG23 ILE 26 4.008 -1.575 5.614 199 HD11 ILE 26 HD11 ILE 26 6.359 0.598 8.931 200 HD12 ILE 26 HD12 ILE 26 4.990 0.305 10.006 201 HD13 ILE 26 HD13 ILE 26 4.951 1.659 8.877 202 H GLN 27 H GLN 27 8.053 -1.179 7.660 203 HA GLN 27 HA GLN 27 8.947 1.362 8.612 204 HB2 GLN 27 HB2 GLN 27 10.426 0.086 10.068 205 HB3 GLN 27 HB1 GLN 27 8.791 -0.558 10.100 206 HG2 GLN 27 HG2 GLN 27 9.452 -2.349 8.586 207 HG3 GLN 27 HG1 GLN 27 11.086 -1.712 8.542 208 HE21 GLN 27 HE21 GLN 27 11.108 -1.045 11.385 209 HE22 GLN 27 HE22 GLN 27 11.241 -2.548 12.219 210 H GLN 28 H GLN 28 9.758 -0.612 5.954 211 HA GLN 28 HA GLN 28 12.410 0.576 5.869 212 HB2 GLN 28 HB2 GLN 28 13.086 -1.060 4.325 213 HB3 GLN 28 HB1 GLN 28 11.880 -1.887 5.313 214 HG2 GLN 28 HG2 GLN 28 10.291 -1.888 3.641 215 HG3 GLN 28 HG1 GLN 28 11.120 -0.627 2.721 216 HE21 GLN 28 HE21 GLN 28 11.075 -4.013 3.526 217 HE22 GLN 28 HE22 GLN 28 12.195 -4.496 2.328 218 H LEU 29 H LEU 29 9.309 1.138 4.881 219 HA LEU 29 HA LEU 29 10.134 2.812 2.617 220 HB2 LEU 29 HB2 LEU 29 7.411 1.992 3.578 221 HB3 LEU 29 HB1 LEU 29 7.647 3.255 2.396 222 HG LEU 29 HG LEU 29 7.113 1.429 1.130 223 HD11 LEU 29 HD11 LEU 29 9.104 0.807 -0.129 224 HD12 LEU 29 HD12 LEU 29 10.109 1.392 1.200 225 HD13 LEU 29 HD13 LEU 29 9.098 2.523 0.311 226 HD21 LEU 29 HD21 LEU 29 8.053 -0.839 1.434 227 HD22 LEU 29 HD22 LEU 29 7.151 -0.260 2.837 228 HD23 LEU 29 HD23 LEU 29 8.914 -0.245 2.860 229 H ASN 30 H ASN 30 10.125 3.013 5.663 230 HA ASN 30 HA ASN 30 8.733 5.192 6.565 231 HB2 ASN 30 HB2 ASN 30 9.899 3.818 8.122 232 HB3 ASN 30 HB1 ASN 30 11.446 4.155 7.367 233 HD21 ASN 30 HD21 ASN 30 12.567 5.921 7.976 234 HD22 ASN 30 HD22 ASN 30 12.095 7.007 9.221 235 H HIS 31 H HIS 31 11.702 5.282 4.633 236 HA HIS 31 HA HIS 31 12.150 8.087 5.140 237 HB2 HIS 31 HB2 HIS 31 13.959 6.414 4.251 238 HB3 HIS 31 HB1 HIS 31 13.119 6.587 2.722 239 HD1 HIS 31 HD1 HIS 31 15.899 7.997 4.440 240 HD2 HIS 31 HD2 HIS 31 12.938 9.475 1.931 241 HE1 HIS 31 HE1 HIS 31 16.782 10.159 3.513 242 H CYS 32 H CYS 32 10.983 6.199 2.409 243 HA CYS 32 HA CYS 32 10.292 8.217 0.650 244 HB2 CYS 32 HB2 CYS 32 10.173 5.456 0.713 245 HB3 CYS 32 HB1 CYS 32 8.477 5.894 0.716 246 H GLN 33 H GLN 33 8.229 6.503 3.019 247 HA GLN 33 HA GLN 33 5.905 7.852 2.821 248 HB2 GLN 33 HB2 GLN 33 6.002 5.945 4.088 249 HB3 GLN 33 HB1 GLN 33 7.340 6.522 5.081 250 HG2 GLN 33 HG2 GLN 33 5.830 8.226 5.932 251 HG3 GLN 33 HG1 GLN 33 4.464 7.410 5.153 252 HE21 GLN 33 HE21 GLN 33 3.448 6.900 7.076 253 HE22 GLN 33 HE22 GLN 33 4.065 5.765 8.222 254 H MET 34 H MET 34 8.583 8.684 5.108 255 HA MET 34 HA MET 34 7.121 10.920 6.071 256 HB2 MET 34 HB2 MET 34 9.103 11.635 7.298 257 HB3 MET 34 HB1 MET 34 8.726 9.932 7.557 258 HG2 MET 34 HG2 MET 34 10.561 9.271 6.200 259 HG3 MET 34 HG1 MET 34 10.824 10.931 5.669 260 HE1 MET 34 HE1 MET 34 9.903 9.953 9.367 261 HE2 MET 34 HE2 MET 34 11.490 9.615 10.054 262 HE3 MET 34 HE3 MET 34 10.818 8.546 8.823 263 H HIS 35 H HIS 35 9.735 10.702 3.764 264 HA HIS 35 HA HIS 35 9.949 13.504 3.496 265 HB2 HIS 35 HB2 HIS 35 11.036 11.227 1.965 266 HB3 HIS 35 HB1 HIS 35 10.959 12.768 1.123 267 HD1 HIS 35 HD1 HIS 35 13.073 14.133 1.397 268 HD2 HIS 35 HD2 HIS 35 12.387 11.614 4.633 269 HE1 HIS 35 HE1 HIS 35 15.059 14.382 2.897 270 H LEU 36 H LEU 36 7.721 11.303 2.043 271 HA LEU 36 HA LEU 36 6.850 13.323 0.173 272 HB2 LEU 36 HB2 LEU 36 5.641 10.676 0.909 273 HB3 LEU 36 HB1 LEU 36 4.991 11.766 -0.309 274 HG LEU 36 HG LEU 36 7.685 10.401 -0.376 275 HD11 LEU 36 HD11 LEU 36 6.772 9.120 -2.235 276 HD12 LEU 36 HD12 LEU 36 5.210 9.906 -2.008 277 HD13 LEU 36 HD13 LEU 36 5.860 8.853 -0.749 278 HD21 LEU 36 HD21 LEU 36 6.365 12.183 -2.423 279 HD22 LEU 36 HD22 LEU 36 7.836 11.252 -2.687 280 HD23 LEU 36 HD23 LEU 36 7.821 12.549 -1.496 281 H THR 37 H THR 37 5.858 12.208 3.369 282 HA THR 37 HA THR 37 3.418 13.718 3.098 283 HB THR 37 HB THR 37 2.952 13.008 5.424 284 HG1 THR 37 HG1 THR 37 5.096 11.195 5.176 285 HG21 THR 37 HG21 THR 37 3.804 10.879 3.513 286 HG22 THR 37 HG22 THR 37 2.239 11.707 3.505 287 HG23 THR 37 HG23 THR 37 2.684 10.652 4.857 288 H SER 38 H SER 38 6.526 14.291 4.191 289 HA SER 38 HA SER 38 5.720 16.411 5.989 290 HB2 SER 38 HB2 SER 38 8.439 15.381 5.259 291 HB3 SER 38 HB1 SER 38 8.135 16.632 6.475 292 HG SER 38 HG SER 38 7.474 13.916 6.433 293 H PHE 39 H PHE 39 5.329 18.357 5.233 294 HA PHE 39 HA PHE 39 7.092 19.380 3.143 295 HB2 PHE 39 HB2 PHE 39 4.570 20.598 4.340 296 HB3 PHE 39 HB1 PHE 39 5.564 21.365 3.110 297 HD1 PHE 39 HD1 PHE 39 5.823 20.149 0.881 298 HD2 PHE 39 HD2 PHE 39 2.825 19.196 3.736 299 HE1 PHE 39 HE1 PHE 39 4.502 19.058 -0.880 300 HE2 PHE 39 HE2 PHE 39 1.505 18.109 1.996 301 HZ PHE 39 HZ PHE 39 2.338 18.030 -0.324 302 H ASP 40 H ASP 40 8.862 19.623 4.250 303 HA ASP 40 HA ASP 40 8.753 20.200 7.036 304 HB2 ASP 40 HB2 ASP 40 10.386 18.617 5.821 305 HB3 ASP 40 HB1 ASP 40 11.305 20.074 5.462 306 H TYR 41 H TYR 41 10.656 21.742 7.798 307 HA TYR 41 HA TYR 41 9.510 24.308 7.009 308 HB2 TYR 41 HB2 TYR 41 10.085 25.032 9.305 309 HB3 TYR 41 HB1 TYR 41 9.085 23.572 9.133 310 HD1 TYR 41 HD1 TYR 41 12.588 24.591 9.864 311 HD2 TYR 41 HD2 TYR 41 9.603 21.588 10.188 312 HE1 TYR 41 HE1 TYR 41 14.084 23.268 11.261 313 HE2 TYR 41 HE2 TYR 41 11.092 20.249 11.604 314 HH TYR 41 HH TYR 41 13.870 21.500 12.999 315 H LYS 42 H LYS 42 12.582 22.657 7.430 316 HA LYS 42 HA LYS 42 13.901 25.189 7.076 317 HB2 LYS 42 HB2 LYS 42 15.932 24.208 7.684 318 HB3 LYS 42 HB1 LYS 42 14.666 23.381 8.588 319 HG2 LYS 42 HG2 LYS 42 15.922 22.221 6.107 320 HG3 LYS 42 HG1 LYS 42 16.551 21.925 7.729 321 HD2 LYS 42 HD2 LYS 42 14.204 21.097 8.267 322 HD3 LYS 42 HD1 LYS 42 13.945 21.154 6.521 323 HE2 LYS 42 HE2 LYS 42 15.691 19.562 6.132 324 HE3 LYS 42 HE1 LYS 42 16.181 19.605 7.823 325 HZ1 LYS 42 HZ1 LYS 42 13.652 18.509 6.723 326 HZ2 LYS 42 HZ2 LYS 42 13.928 18.730 8.362 327 HZ3 LYS 42 HZ3 LYS 42 14.881 17.647 7.490 328 H LEU 43 H LEU 43 12.389 23.410 5.063 329 HA LEU 43 HA LEU 43 14.120 23.391 2.801 330 HB2 LEU 43 HB2 LEU 43 11.111 23.261 2.999 331 HB3 LEU 43 HB1 LEU 43 12.044 22.938 1.554 332 HG LEU 43 HG LEU 43 12.317 21.314 4.067 333 HD11 LEU 43 HD11 LEU 43 10.545 20.845 1.666 334 HD12 LEU 43 HD12 LEU 43 10.050 21.172 3.341 335 HD13 LEU 43 HD13 LEU 43 10.878 19.672 2.951 336 HD21 LEU 43 HD21 LEU 43 13.095 20.821 1.195 337 HD22 LEU 43 HD22 LEU 43 13.261 19.666 2.514 338 HD23 LEU 43 HD23 LEU 43 14.193 21.164 2.536 339 H ARG 44 H ARG 44 14.832 25.540 2.759 340 HA ARG 44 HA ARG 44 12.780 27.611 2.358 341 HB2 ARG 44 HB2 ARG 44 15.594 27.865 3.419 342 HB3 ARG 44 HB1 ARG 44 14.473 29.206 3.196 343 HG2 ARG 44 HG2 ARG 44 12.992 28.353 4.857 344 HG3 ARG 44 HG1 ARG 44 13.875 26.833 4.945 345 HD2 ARG 44 HD2 ARG 44 15.816 28.056 5.833 346 HD3 ARG 44 HD1 ARG 44 14.873 29.546 5.808 347 HE ARG 44 HE ARG 44 13.297 28.303 7.321 348 HH11 ARG 44 HH11 ARG 44 16.797 27.717 7.358 349 HH12 ARG 44 HH12 ARG 44 16.832 27.133 8.955 350 HH21 ARG 44 HH21 ARG 44 13.354 27.493 9.536 351 HH22 ARG 44 HH22 ARG 44 14.817 26.985 10.232 352 H MET 45 H MET 45 16.110 26.895 1.395 353 HA MET 45 HA MET 45 15.499 28.189 -1.145 354 HB2 MET 45 HB2 MET 45 18.149 27.358 0.045 355 HB3 MET 45 HB1 MET 45 17.966 28.058 -1.559 356 HG2 MET 45 HG2 MET 45 17.021 30.078 -0.572 357 HG3 MET 45 HG1 MET 45 17.195 29.376 1.029 358 HE1 MET 45 HE1 MET 45 19.905 32.218 0.950 359 HE2 MET 45 HE2 MET 45 18.482 31.581 1.777 360 HE3 MET 45 HE3 MET 45 18.333 32.241 0.150 361 H ALA 46 H ALA 46 15.656 25.243 0.263 362 HA ALA 46 HA ALA 46 16.216 23.790 -2.169 363 HB1 ALA 46 HB1 ALA 46 17.004 22.865 -0.040 364 HB2 ALA 46 HB2 ALA 46 15.850 21.782 -0.827 365 HB3 ALA 46 HB3 ALA 46 15.336 22.780 0.533 366 H VAL 47 H VAL 47 14.619 24.447 -3.487 367 HA VAL 47 HA VAL 47 11.940 23.390 -2.866 368 HB VAL 47 HB VAL 47 12.554 25.804 -4.602 369 HG11 VAL 47 HG11 VAL 47 9.906 24.664 -3.697 370 HG12 VAL 47 HG12 VAL 47 10.562 24.584 -5.330 371 HG13 VAL 47 HG13 VAL 47 10.113 26.144 -4.633 372 HG21 VAL 47 HG21 VAL 47 12.915 26.364 -2.263 373 HG22 VAL 47 HG22 VAL 47 11.330 25.718 -1.844 374 HG23 VAL 47 HG23 VAL 47 11.453 27.158 -2.852 375 H GLU 48 H GLU 48 13.931 24.526 -5.568 376 HA GLU 48 HA GLU 48 13.387 22.003 -6.907 377 HB2 GLU 48 HB2 GLU 48 13.743 24.726 -8.183 378 HB3 GLU 48 HB1 GLU 48 13.583 23.215 -9.069 379 HG2 GLU 48 HG2 GLU 48 11.345 22.910 -8.093 380 HG3 GLU 48 HG1 GLU 48 11.515 24.463 -7.281 381 H ASN 49 H ASN 49 15.150 21.184 -5.885 382 HA ASN 49 HA ASN 49 17.784 22.014 -6.909 383 HB2 ASN 49 HB2 ASN 49 17.165 21.188 -4.042 384 HB3 ASN 49 HB1 ASN 49 18.763 21.437 -4.690 385 HD21 ASN 49 HD21 ASN 49 19.399 22.990 -3.337 386 HD22 ASN 49 HD22 ASN 49 18.677 24.551 -3.213 387 HA PRO 50 HA PRO 50 18.243 17.554 -7.523 388 HB2 PRO 50 HB2 PRO 50 20.773 17.159 -6.425 389 HB3 PRO 50 HB1 PRO 50 20.478 17.685 -8.086 390 HG2 PRO 50 HG2 PRO 50 21.122 19.323 -5.664 391 HG3 PRO 50 HG1 PRO 50 21.743 19.486 -7.320 392 HD2 PRO 50 HD2 PRO 50 19.870 21.132 -6.421 393 HD3 PRO 50 HD1 PRO 50 19.772 20.496 -8.072 394 H LYS 51 H LYS 51 18.967 19.042 -4.460 395 HA LYS 51 HA LYS 51 18.927 16.762 -2.788 396 HB2 LYS 51 HB2 LYS 51 18.290 19.623 -2.169 397 HB3 LYS 51 HB1 LYS 51 18.389 18.337 -0.976 398 HG2 LYS 51 HG2 LYS 51 20.723 17.965 -1.593 399 HG3 LYS 51 HG1 LYS 51 20.617 19.291 -2.754 400 HD2 LYS 51 HD2 LYS 51 21.619 20.049 -0.691 401 HD3 LYS 51 HD1 LYS 51 20.047 20.822 -0.947 402 HE2 LYS 51 HE2 LYS 51 19.002 19.259 0.620 403 HE3 LYS 51 HE1 LYS 51 20.537 18.429 0.855 404 HZ1 LYS 51 HZ1 LYS 51 20.174 19.883 2.676 405 HZ2 LYS 51 HZ2 LYS 51 19.784 21.165 1.682 406 HZ3 LYS 51 HZ3 LYS 51 21.371 20.635 1.745 407 H GLN 52 H GLN 52 16.433 18.275 -4.474 408 HA GLN 52 HA GLN 52 14.405 17.698 -2.541 409 HB2 GLN 52 HB2 GLN 52 14.333 18.781 -5.317 410 HB3 GLN 52 HB1 GLN 52 12.878 18.550 -4.355 411 HG2 GLN 52 HG2 GLN 52 15.216 20.280 -3.588 412 HG3 GLN 52 HG1 GLN 52 13.702 20.865 -4.283 413 HE21 GLN 52 HE21 GLN 52 11.831 20.798 -3.035 414 HE22 GLN 52 HE22 GLN 52 11.895 20.654 -1.325 415 H GLN 53 H GLN 53 16.000 16.010 -4.978 416 HA GLN 53 HA GLN 53 13.816 14.052 -5.039 417 HB2 GLN 53 HB2 GLN 53 14.679 13.261 -7.180 418 HB3 GLN 53 HB1 GLN 53 14.264 14.965 -7.259 419 HG2 GLN 53 HG2 GLN 53 16.626 15.545 -7.035 420 HG3 GLN 53 HG1 GLN 53 17.033 13.832 -6.971 421 HE21 GLN 53 HE21 GLN 53 18.277 13.937 -8.798 422 HE22 GLN 53 HE22 GLN 53 17.593 14.130 -10.370 423 H GLN 54 H GLN 54 16.306 14.630 -3.337 424 HA GLN 54 HA GLN 54 18.148 12.503 -3.545 425 HB2 GLN 54 HB2 GLN 54 18.782 12.967 -1.260 426 HB3 GLN 54 HB1 GLN 54 18.451 14.498 -2.058 427 HG2 GLN 54 HG2 GLN 54 16.294 14.635 -1.004 428 HG3 GLN 54 HG1 GLN 54 16.485 13.044 -0.310 429 HE21 GLN 54 HE21 GLN 54 17.416 16.341 -0.131 430 HE22 GLN 54 HE22 GLN 54 18.157 16.250 1.440 431 H HIS 55 H HIS 55 15.022 12.742 -2.115 432 HA HIS 55 HA HIS 55 15.085 10.389 -0.600 433 HB2 HIS 55 HB2 HIS 55 12.560 10.655 -0.519 434 HB3 HIS 55 HB1 HIS 55 13.488 12.017 0.077 435 HD1 HIS 55 HD1 HIS 55 11.347 13.597 -0.357 436 HD2 HIS 55 HD2 HIS 55 13.028 11.870 -3.726 437 HE1 HIS 55 HE1 HIS 55 10.259 14.703 -2.292 438 H LEU 56 H LEU 56 14.718 10.915 -3.928 439 HA LEU 56 HA LEU 56 13.307 8.430 -4.399 440 HB2 LEU 56 HB2 LEU 56 12.887 10.350 -5.905 441 HB3 LEU 56 HB1 LEU 56 14.575 10.393 -6.338 442 HG LEU 56 HG LEU 56 12.989 9.434 -8.070 443 HD11 LEU 56 HD11 LEU 56 14.429 7.612 -8.795 444 HD12 LEU 56 HD12 LEU 56 15.225 7.613 -7.223 445 HD13 LEU 56 HD13 LEU 56 15.368 9.015 -8.281 446 HD21 LEU 56 HD21 LEU 56 12.904 7.112 -6.172 447 HD22 LEU 56 HD22 LEU 56 12.283 7.118 -7.823 448 HD23 LEU 56 HD23 LEU 56 11.558 8.166 -6.603 449 H SER 57 H SER 57 16.523 9.813 -4.804 450 HA SER 57 HA SER 57 17.841 7.659 -5.905 451 HB2 SER 57 HB2 SER 57 18.989 9.490 -3.806 452 HB3 SER 57 HB1 SER 57 19.791 8.799 -5.222 453 HG SER 57 HG SER 57 18.197 10.081 -6.476 454 H LEU 58 H LEU 58 16.845 8.331 -2.638 455 HA LEU 58 HA LEU 58 18.268 6.070 -1.527 456 HB2 LEU 58 HB2 LEU 58 16.313 7.909 -0.146 457 HB3 LEU 58 HB1 LEU 58 17.469 6.828 0.599 458 HG LEU 58 HG LEU 58 18.180 9.235 -1.060 459 HD11 LEU 58 HD11 LEU 58 18.402 8.773 1.901 460 HD12 LEU 58 HD12 LEU 58 17.266 9.844 1.084 461 HD13 LEU 58 HD13 LEU 58 18.997 10.189 1.031 462 HD21 LEU 58 HD21 LEU 58 19.845 7.515 -1.308 463 HD22 LEU 58 HD22 LEU 58 19.920 7.290 0.439 464 HD23 LEU 58 HD23 LEU 58 20.492 8.796 -0.278 465 H CYS 59 H CYS 59 14.855 7.042 -1.911 466 HA CYS 59 HA CYS 59 13.750 4.714 -0.833 467 HB2 CYS 59 HB2 CYS 59 12.457 6.735 -1.133 468 HB3 CYS 59 HB1 CYS 59 12.552 6.611 -2.874 469 H CYS 60 H CYS 60 14.371 5.518 -4.313 470 HA CYS 60 HA CYS 60 13.447 3.116 -5.393 471 HB2 CYS 60 HB2 CYS 60 13.900 5.112 -6.754 472 HB3 CYS 60 HB1 CYS 60 15.611 4.992 -6.393 473 H ASN 61 H ASN 61 16.417 3.908 -3.823 474 HA ASN 61 HA ASN 61 17.837 1.546 -4.724 475 HB2 ASN 61 HB2 ASN 61 18.956 3.570 -4.338 476 HB3 ASN 61 HB1 ASN 61 18.497 3.630 -2.640 477 HD21 ASN 61 HD21 ASN 61 20.632 3.677 -1.910 478 HD22 ASN 61 HD22 ASN 61 21.683 2.314 -2.001 479 H GLN 62 H GLN 62 15.875 2.480 -2.085 480 HA GLN 62 HA GLN 62 16.677 0.313 -0.395 481 HB2 GLN 62 HB2 GLN 62 15.974 2.472 0.551 482 HB3 GLN 62 HB1 GLN 62 14.396 2.289 -0.187 483 HG2 GLN 62 HG2 GLN 62 14.156 1.793 2.107 484 HG3 GLN 62 HG1 GLN 62 14.065 0.264 1.241 485 HE21 GLN 62 HE21 GLN 62 14.722 0.849 3.992 486 HE22 GLN 62 HE22 GLN 62 16.270 0.152 4.287 487 H LEU 63 H LEU 63 13.884 1.174 -2.333 488 HA LEU 63 HA LEU 63 12.346 -1.089 -1.656 489 HB2 LEU 63 HB2 LEU 63 10.810 -0.319 -3.330 490 HB3 LEU 63 HB1 LEU 63 11.514 1.092 -2.569 491 HG LEU 63 HG LEU 63 13.146 1.007 -4.591 492 HD11 LEU 63 HD11 LEU 63 12.280 -1.035 -5.514 493 HD12 LEU 63 HD12 LEU 63 12.095 0.328 -6.622 494 HD13 LEU 63 HD13 LEU 63 10.695 -0.289 -5.726 495 HD21 LEU 63 HD21 LEU 63 11.518 2.481 -5.788 496 HD22 LEU 63 HD22 LEU 63 11.893 2.875 -4.110 497 HD23 LEU 63 HD23 LEU 63 10.368 2.088 -4.487 498 H GLN 64 H GLN 64 14.717 -0.461 -4.127 499 HA GLN 64 HA GLN 64 14.191 -2.733 -5.735 500 HB2 GLN 64 HB2 GLN 64 16.198 -2.175 -6.937 501 HB3 GLN 64 HB1 GLN 64 15.414 -0.679 -6.416 502 HG2 GLN 64 HG2 GLN 64 16.918 -0.356 -4.682 503 HG3 GLN 64 HG1 GLN 64 17.666 -1.931 -4.930 504 HE21 GLN 64 HE21 GLN 64 19.644 -0.989 -5.221 505 HE22 GLN 64 HE22 GLN 64 20.092 -0.122 -6.633 506 H GLU 65 H GLU 65 15.578 -2.502 -2.691 507 HA GLU 65 HA GLU 65 17.356 -4.738 -2.897 508 HB2 GLU 65 HB2 GLU 65 16.133 -3.346 -0.519 509 HB3 GLU 65 HB1 GLU 65 17.385 -4.578 -0.407 510 HG2 GLU 65 HG2 GLU 65 17.678 -1.956 -1.843 511 HG3 GLU 65 HG1 GLU 65 18.199 -2.236 -0.187 512 H VAL 66 H VAL 66 14.075 -4.166 -2.533 513 HA VAL 66 HA VAL 66 13.305 -6.814 -1.491 514 HB VAL 66 HB VAL 66 11.463 -4.806 -2.803 515 HG11 VAL 66 HG11 VAL 66 10.958 -6.765 -0.578 516 HG12 VAL 66 HG12 VAL 66 10.577 -7.014 -2.271 517 HG13 VAL 66 HG13 VAL 66 9.752 -5.737 -1.364 518 HG21 VAL 66 HG21 VAL 66 12.682 -3.504 -1.187 519 HG22 VAL 66 HG22 VAL 66 12.354 -4.693 0.080 520 HG23 VAL 66 HG23 VAL 66 11.033 -3.755 -0.627 521 H GLU 67 H GLU 67 11.974 -8.184 -2.736 522 HA GLU 67 HA GLU 67 12.903 -9.115 -5.119 523 HB2 GLU 67 HB2 GLU 67 10.633 -9.487 -3.450 524 HB3 GLU 67 HB1 GLU 67 10.157 -9.547 -5.137 525 HG2 GLU 67 HG2 GLU 67 12.395 -11.005 -3.936 526 HG3 GLU 67 HG1 GLU 67 10.794 -11.732 -4.245 527 H LYS 68 H LYS 68 12.398 -8.867 -7.260 528 HA LYS 68 HA LYS 68 11.724 -6.319 -8.189 529 HB2 LYS 68 HB2 LYS 68 11.575 -7.294 -10.408 530 HB3 LYS 68 HB1 LYS 68 13.027 -7.803 -9.550 531 HG2 LYS 68 HG2 LYS 68 12.085 -9.903 -9.072 532 HG3 LYS 68 HG1 LYS 68 10.510 -9.375 -9.645 533 HD2 LYS 68 HD2 LYS 68 11.378 -9.170 -11.883 534 HD3 LYS 68 HD1 LYS 68 12.977 -9.688 -11.313 535 HE2 LYS 68 HE2 LYS 68 12.087 -11.647 -10.467 536 HE3 LYS 68 HE1 LYS 68 10.461 -11.129 -10.915 537 HZ1 LYS 68 HZ1 LYS 68 11.090 -11.223 -13.248 538 HZ2 LYS 68 HZ2 LYS 68 11.342 -12.730 -12.559 539 HZ3 LYS 68 HZ3 LYS 68 12.666 -11.704 -12.860 540 H GLN 69 H GLN 69 9.762 -9.105 -7.613 541 HA GLN 69 HA GLN 69 7.457 -8.073 -8.979 542 HB2 GLN 69 HB2 GLN 69 6.354 -10.075 -8.180 543 HB3 GLN 69 HB1 GLN 69 7.952 -10.495 -8.773 544 HG2 GLN 69 HG2 GLN 69 8.766 -10.446 -6.421 545 HG3 GLN 69 HG1 GLN 69 7.098 -10.231 -5.900 546 HE21 GLN 69 HE21 GLN 69 9.466 -12.368 -7.078 547 HE22 GLN 69 HE22 GLN 69 8.527 -13.821 -6.985 548 H CYS 70 H CYS 70 8.926 -7.457 -6.043 549 HA CYS 70 HA CYS 70 6.395 -6.652 -4.795 550 HB2 CYS 70 HB2 CYS 70 8.968 -7.479 -3.485 551 HB3 CYS 70 HB1 CYS 70 7.511 -6.997 -2.625 552 H GLN 71 H GLN 71 9.266 -5.524 -6.118 553 HA GLN 71 HA GLN 71 9.938 -3.287 -4.598 554 HB2 GLN 71 HB2 GLN 71 10.211 -3.915 -7.504 555 HB3 GLN 71 HB1 GLN 71 10.744 -2.361 -6.853 556 HG2 GLN 71 HG2 GLN 71 12.235 -3.496 -5.341 557 HG3 GLN 71 HG1 GLN 71 11.653 -5.056 -5.903 558 HE21 GLN 71 HE21 GLN 71 13.745 -5.593 -6.391 559 HE22 GLN 71 HE22 GLN 71 14.554 -5.021 -7.808 560 H CYS 72 H CYS 72 7.643 -3.380 -7.351 561 HA CYS 72 HA CYS 72 6.940 -0.696 -6.776 562 HB2 CYS 72 HB2 CYS 72 5.139 -0.968 -8.398 563 HB3 CYS 72 HB1 CYS 72 6.737 -1.399 -8.997 564 H GLU 73 H GLU 73 5.899 -3.728 -5.640 565 HA GLU 73 HA GLU 73 3.355 -2.991 -4.828 566 HB2 GLU 73 HB2 GLU 73 5.253 -4.984 -3.614 567 HB3 GLU 73 HB1 GLU 73 3.537 -4.915 -3.262 568 HG2 GLU 73 HG2 GLU 73 4.646 -5.407 -6.022 569 HG3 GLU 73 HG1 GLU 73 4.312 -6.713 -4.904 570 H ALA 74 H ALA 74 6.621 -2.729 -3.389 571 HA ALA 74 HA ALA 74 6.019 -1.940 -0.843 572 HB1 ALA 74 HB1 ALA 74 8.284 -1.075 -0.780 573 HB2 ALA 74 HB2 ALA 74 8.366 -1.110 -2.542 574 HB3 ALA 74 HB3 ALA 74 8.236 -2.617 -1.634 575 H ILE 75 H ILE 75 5.838 -0.218 -3.824 576 HA ILE 75 HA ILE 75 5.966 2.424 -2.747 577 HB ILE 75 HB ILE 75 4.551 1.698 -5.319 578 HG12 ILE 75 HG12 ILE 75 6.725 0.610 -5.364 579 HG13 ILE 75 HG11 ILE 75 6.684 1.963 -6.494 580 HG21 ILE 75 HG21 ILE 75 6.053 4.135 -4.432 581 HG22 ILE 75 HG22 ILE 75 4.302 3.957 -4.527 582 HG23 ILE 75 HG23 ILE 75 5.273 3.910 -5.997 583 HD11 ILE 75 HD11 ILE 75 8.742 1.872 -5.439 584 HD12 ILE 75 HD12 ILE 75 8.019 1.783 -3.828 585 HD13 ILE 75 HD13 ILE 75 7.910 3.287 -4.772 586 H LYS 76 H LYS 76 3.560 -0.023 -3.005 587 HA LYS 76 HA LYS 76 1.281 1.773 -3.086 588 HB2 LYS 76 HB2 LYS 76 1.311 -1.162 -2.337 589 HB3 LYS 76 HB1 LYS 76 -0.038 -0.249 -2.986 590 HG2 LYS 76 HG2 LYS 76 2.481 -0.985 -4.482 591 HG3 LYS 76 HG1 LYS 76 0.921 -1.785 -4.640 592 HD2 LYS 76 HD2 LYS 76 1.425 1.125 -5.270 593 HD3 LYS 76 HD1 LYS 76 1.453 -0.165 -6.469 594 HE2 LYS 76 HE2 LYS 76 -0.897 0.602 -4.745 595 HE3 LYS 76 HE1 LYS 76 -0.690 1.003 -6.446 596 HZ1 LYS 76 HZ1 LYS 76 -0.747 -1.365 -6.973 597 HZ2 LYS 76 HZ2 LYS 76 -2.127 -0.862 -6.122 598 HZ3 LYS 76 HZ3 LYS 76 -0.959 -1.742 -5.326 599 H GLN 77 H GLN 77 3.099 -0.175 -1.026 600 HA GLN 77 HA GLN 77 1.779 -0.059 1.438 601 HB2 GLN 77 HB2 GLN 77 4.738 -0.086 0.929 602 HB3 GLN 77 HB1 GLN 77 3.920 -0.663 2.372 603 HG2 GLN 77 HG2 GLN 77 3.259 -1.789 -0.288 604 HG3 GLN 77 HG1 GLN 77 4.648 -2.415 0.530 605 HE21 GLN 77 HE21 GLN 77 3.277 -2.112 3.185 606 HE22 GLN 77 HE22 GLN 77 2.069 -3.337 3.215 607 H VAL 78 H VAL 78 4.293 1.995 -0.032 608 HA VAL 78 HA VAL 78 4.692 3.782 2.032 609 HB VAL 78 HB VAL 78 4.661 4.692 -0.864 610 HG11 VAL 78 HG11 VAL 78 6.203 5.668 1.476 611 HG12 VAL 78 HG12 VAL 78 4.799 6.441 0.737 612 HG13 VAL 78 HG13 VAL 78 6.313 6.290 -0.176 613 HG21 VAL 78 HG21 VAL 78 6.979 4.090 -1.049 614 HG22 VAL 78 HG22 VAL 78 6.034 2.650 -0.637 615 HG23 VAL 78 HG23 VAL 78 6.979 3.478 0.599 616 H VAL 79 H VAL 79 2.301 3.806 -0.590 617 HA VAL 79 HA VAL 79 1.283 6.400 -0.020 618 HB VAL 79 HB VAL 79 -0.174 4.129 -1.399 619 HG11 VAL 79 HG11 VAL 79 -1.454 5.902 -2.501 620 HG12 VAL 79 HG12 VAL 79 -0.545 7.113 -1.591 621 HG13 VAL 79 HG13 VAL 79 -1.601 5.992 -0.740 622 HG21 VAL 79 HG21 VAL 79 1.954 4.475 -2.496 623 HG22 VAL 79 HG22 VAL 79 1.653 6.213 -2.602 624 HG23 VAL 79 HG23 VAL 79 0.652 5.083 -3.520 625 H GLU 80 H GLU 80 0.309 3.151 0.731 626 HA GLU 80 HA GLU 80 -2.098 3.690 2.030 627 HB2 GLU 80 HB2 GLU 80 -1.377 1.475 1.188 628 HB3 GLU 80 HB1 GLU 80 -0.200 1.381 2.485 629 HG2 GLU 80 HG2 GLU 80 -2.006 1.373 4.128 630 HG3 GLU 80 HG1 GLU 80 -3.188 1.496 2.826 631 H GLN 81 H GLN 81 1.203 3.509 3.295 632 HA GLN 81 HA GLN 81 0.318 3.862 6.021 633 HB2 GLN 81 HB2 GLN 81 2.668 3.728 6.636 634 HB3 GLN 81 HB1 GLN 81 2.298 2.461 5.482 635 HG2 GLN 81 HG2 GLN 81 3.240 3.989 3.702 636 HG3 GLN 81 HG1 GLN 81 3.828 5.003 5.015 637 HE21 GLN 81 HE21 GLN 81 5.503 4.186 6.370 638 HE22 GLN 81 HE22 GLN 81 6.455 2.850 5.863 639 H ALA 82 H ALA 82 1.547 5.882 3.473 640 HA ALA 82 HA ALA 82 2.160 8.101 5.156 641 HB1 ALA 82 HB1 ALA 82 2.559 9.284 3.046 642 HB2 ALA 82 HB2 ALA 82 1.873 7.920 2.160 643 HB3 ALA 82 HB3 ALA 82 3.362 7.714 3.088 644 H GLN 83 H GLN 83 -0.623 7.077 3.325 645 HA GLN 83 HA GLN 83 -1.899 9.637 3.560 646 HB2 GLN 83 HB2 GLN 83 -3.794 8.651 2.439 647 HB3 GLN 83 HB1 GLN 83 -2.341 8.084 1.636 648 HG2 GLN 83 HG2 GLN 83 -2.528 5.963 2.917 649 HG3 GLN 83 HG1 GLN 83 -4.057 6.541 3.570 650 HE21 GLN 83 HE21 GLN 83 -5.818 6.785 2.147 651 HE22 GLN 83 HE22 GLN 83 -5.856 5.924 0.647 652 H LYS 84 H LYS 84 -1.849 6.618 5.289 653 HA LYS 84 HA LYS 84 -4.189 7.185 6.807 654 HB2 LYS 84 HB2 LYS 84 -3.760 5.134 7.993 655 HB3 LYS 84 HB1 LYS 84 -3.444 4.862 6.295 656 HG2 LYS 84 HG2 LYS 84 -1.655 3.759 7.228 657 HG3 LYS 84 HG1 LYS 84 -0.963 5.362 6.990 658 HD2 LYS 84 HD2 LYS 84 -0.348 4.685 9.163 659 HD3 LYS 84 HD1 LYS 84 -1.627 5.900 9.310 660 HE2 LYS 84 HE2 LYS 84 -3.295 4.080 9.606 661 HE3 LYS 84 HE1 LYS 84 -1.990 2.908 9.524 662 HZ1 LYS 84 HZ1 LYS 84 -2.633 3.352 11.780 663 HZ2 LYS 84 HZ2 LYS 84 -2.317 4.994 11.611 664 HZ3 LYS 84 HZ3 LYS 84 -1.053 3.878 11.538 665 H GLN 85 H GLN 85 -0.767 7.716 7.216 666 HA GLN 85 HA GLN 85 -0.877 8.313 9.975 667 HB2 GLN 85 HB2 GLN 85 1.367 9.196 9.732 668 HB3 GLN 85 HB1 GLN 85 1.186 7.772 8.702 669 HG2 GLN 85 HG2 GLN 85 1.048 9.034 6.764 670 HG3 GLN 85 HG1 GLN 85 0.828 10.527 7.659 671 HE21 GLN 85 HE21 GLN 85 2.597 11.460 8.640 672 HE22 GLN 85 HE22 GLN 85 4.210 11.047 8.187 673 H LEU 86 H LEU 86 -1.411 10.222 7.098 674 HA LEU 86 HA LEU 86 -1.657 12.642 8.632 675 HB2 LEU 86 HB2 LEU 86 -1.609 11.967 5.759 676 HB3 LEU 86 HB1 LEU 86 -2.574 13.369 6.135 677 HG LEU 86 HG LEU 86 -0.409 14.043 5.462 678 HD11 LEU 86 HD11 LEU 86 -1.493 15.379 7.174 679 HD12 LEU 86 HD12 LEU 86 0.260 15.416 7.360 680 HD13 LEU 86 HD13 LEU 86 -0.720 14.414 8.430 681 HD21 LEU 86 HD21 LEU 86 0.658 12.453 7.761 682 HD22 LEU 86 HD22 LEU 86 1.589 13.542 6.746 683 HD23 LEU 86 HD23 LEU 86 0.885 12.071 6.049 684 H GLN 87 H GLN 87 -3.734 10.220 7.330 685 HA GLN 87 HA GLN 87 -6.203 11.552 7.604 686 HB2 GLN 87 HB2 GLN 87 -5.907 9.480 6.313 687 HB3 GLN 87 HB1 GLN 87 -5.555 8.609 7.798 688 HG2 GLN 87 HG2 GLN 87 -7.812 9.100 8.602 689 HG3 GLN 87 HG1 GLN 87 -8.161 9.922 7.083 690 HE21 GLN 87 HE21 GLN 87 -9.368 7.585 8.326 691 HE22 GLN 87 HE22 GLN 87 -9.283 6.325 7.150 692 H GLN 88 H GLN 88 -4.231 9.666 9.810 693 HA GLN 88 HA GLN 88 -6.205 9.645 11.913 694 HB2 GLN 88 HB2 GLN 88 -4.504 8.533 13.257 695 HB3 GLN 88 HB1 GLN 88 -4.625 7.806 11.651 696 HG2 GLN 88 HG2 GLN 88 -2.646 9.081 10.959 697 HG3 GLN 88 HG1 GLN 88 -2.523 9.726 12.590 698 HE21 GLN 88 HE21 GLN 88 -0.473 8.879 12.798 699 HE22 GLN 88 HE22 GLN 88 -0.181 7.202 13.064 700 H GLY 89 H GLY 89 -4.257 11.938 10.763 701 HA2 GLY 89 HA2 GLY 89 -3.685 13.190 13.339 702 HA3 GLY 89 HA1 GLY 89 -3.076 13.726 11.775 703 H GLN 90 H GLN 90 -3.784 15.663 11.528 704 HA GLN 90 HA GLN 90 -6.458 16.478 12.399 705 HB2 GLN 90 HB2 GLN 90 -4.189 18.094 11.213 706 HB3 GLN 90 HB1 GLN 90 -5.689 18.742 11.858 707 HG2 GLN 90 HG2 GLN 90 -3.671 17.199 13.464 708 HG3 GLN 90 HG1 GLN 90 -3.760 18.958 13.394 709 HE21 GLN 90 HE21 GLN 90 -4.080 17.102 15.627 710 HE22 GLN 90 HE22 GLN 90 -5.630 17.433 16.308 711 H GLY 91 H GLY 91 -4.421 16.493 9.538 712 HA2 GLY 91 HA2 GLY 91 -6.331 15.857 7.623 713 HA3 GLY 91 HA1 GLY 91 -6.186 17.616 7.723 714 H GLY 92 H GLY 92 -5.183 17.646 5.627 715 HA2 GLY 92 HA2 GLY 92 -2.962 18.242 4.943 716 HA3 GLY 92 HA1 GLY 92 -2.345 16.877 5.850 717 H GLN 93 H GLN 93 -4.705 15.361 4.865 718 HA GLN 93 HA GLN 93 -3.511 13.804 2.922 719 HB2 GLN 93 HB2 GLN 93 -6.464 14.259 3.326 720 HB3 GLN 93 HB1 GLN 93 -5.760 12.935 2.411 721 HG2 GLN 93 HG2 GLN 93 -4.714 12.078 4.423 722 HG3 GLN 93 HG1 GLN 93 -5.347 13.440 5.347 723 HE21 GLN 93 HE21 GLN 93 -7.555 13.527 5.800 724 HE22 GLN 93 HE22 GLN 93 -8.557 12.144 5.664 725 H GLN 94 H GLN 94 -5.490 16.645 2.454 726 HA GLN 94 HA GLN 94 -5.657 16.389 -0.396 727 HB2 GLN 94 HB2 GLN 94 -6.554 18.676 -0.362 728 HB3 GLN 94 HB1 GLN 94 -7.351 17.641 0.815 729 HG2 GLN 94 HG2 GLN 94 -6.021 18.606 2.592 730 HG3 GLN 94 HG1 GLN 94 -5.150 19.577 1.420 731 HE21 GLN 94 HE21 GLN 94 -5.793 21.492 2.418 732 HE22 GLN 94 HE22 GLN 94 -7.396 22.105 2.304 733 H GLN 95 H GLN 95 -3.517 18.159 1.786 734 HA GLN 95 HA GLN 95 -2.291 19.587 -0.387 735 HB2 GLN 95 HB2 GLN 95 -0.851 20.586 1.298 736 HB3 GLN 95 HB1 GLN 95 -2.553 20.696 1.798 737 HG2 GLN 95 HG2 GLN 95 -2.153 18.774 3.233 738 HG3 GLN 95 HG1 GLN 95 -0.448 18.823 2.818 739 HE21 GLN 95 HE21 GLN 95 0.788 20.620 3.498 740 HE22 GLN 95 HE22 GLN 95 0.303 21.569 4.849 741 H VAL 96 H VAL 96 -1.438 17.112 1.859 742 HA VAL 96 HA VAL 96 1.136 16.475 0.930 743 HB VAL 96 HB VAL 96 -0.872 14.704 2.380 744 HG11 VAL 96 HG11 VAL 96 0.776 13.300 1.414 745 HG12 VAL 96 HG12 VAL 96 1.134 13.460 3.144 746 HG13 VAL 96 HG13 VAL 96 2.057 14.382 1.940 747 HG21 VAL 96 HG21 VAL 96 1.307 16.515 3.424 748 HG22 VAL 96 HG22 VAL 96 0.495 15.291 4.381 749 HG23 VAL 96 HG23 VAL 96 -0.438 16.625 3.718 750 H GLN 97 H GLN 97 -1.971 15.789 -0.337 751 HA GLN 97 HA GLN 97 -1.563 13.442 -1.755 752 HB2 GLN 97 HB2 GLN 97 -3.732 14.642 -1.555 753 HB3 GLN 97 HB1 GLN 97 -3.097 15.827 -2.699 754 HG2 GLN 97 HG2 GLN 97 -2.945 14.139 -4.422 755 HG3 GLN 97 HG1 GLN 97 -3.496 12.902 -3.294 756 HE21 GLN 97 HE21 GLN 97 -4.387 15.637 -5.175 757 HE22 GLN 97 HE22 GLN 97 -6.094 15.424 -5.059 758 H GLN 98 H GLN 98 -0.516 16.708 -2.515 759 HA GLN 98 HA GLN 98 0.241 16.210 -5.233 760 HB2 GLN 98 HB2 GLN 98 1.272 18.361 -5.211 761 HB3 GLN 98 HB1 GLN 98 -0.205 18.491 -4.269 762 HG2 GLN 98 HG2 GLN 98 1.121 18.258 -2.229 763 HG3 GLN 98 HG1 GLN 98 2.592 18.246 -3.199 764 HE21 GLN 98 HE21 GLN 98 0.015 20.116 -1.985 765 HE22 GLN 98 HE22 GLN 98 0.629 21.677 -2.371 766 H MET 99 H MET 99 1.668 15.373 -2.280 767 HA MET 99 HA MET 99 4.313 15.167 -3.527 768 HB2 MET 99 HB2 MET 99 3.573 16.136 -1.079 769 HB3 MET 99 HB1 MET 99 3.979 14.485 -0.712 770 HG2 MET 99 HG2 MET 99 5.892 15.863 -0.366 771 HG3 MET 99 HG1 MET 99 6.162 14.707 -1.676 772 HE1 MET 99 HE1 MET 99 7.945 17.344 -1.047 773 HE2 MET 99 HE2 MET 99 8.252 17.909 -2.688 774 HE3 MET 99 HE3 MET 99 8.332 16.186 -2.319 775 H VAL 100 H VAL 100 1.952 13.354 -1.670 776 HA VAL 100 HA VAL 100 3.354 10.928 -1.972 777 HB VAL 100 HB VAL 100 1.705 11.188 -0.179 778 HG11 VAL 100 HG11 VAL 100 -0.365 11.184 -2.340 779 HG12 VAL 100 HG12 VAL 100 0.116 12.518 -1.280 780 HG13 VAL 100 HG13 VAL 100 -0.683 11.096 -0.595 781 HG21 VAL 100 HG21 VAL 100 0.551 9.025 -0.360 782 HG22 VAL 100 HG22 VAL 100 2.250 8.934 -0.854 783 HG23 VAL 100 HG23 VAL 100 0.975 8.980 -2.075 784 H LYS 101 H LYS 101 1.247 12.623 -4.130 785 HA LYS 101 HA LYS 101 0.648 10.494 -5.866 786 HB2 LYS 101 HB2 LYS 101 0.165 12.190 -7.577 787 HB3 LYS 101 HB1 LYS 101 -0.536 12.601 -6.013 788 HG2 LYS 101 HG2 LYS 101 0.234 14.632 -6.768 789 HG3 LYS 101 HG1 LYS 101 1.528 14.076 -5.715 790 HD2 LYS 101 HD2 LYS 101 2.550 15.002 -7.657 791 HD3 LYS 101 HD1 LYS 101 2.705 13.250 -7.794 792 HE2 LYS 101 HE2 LYS 101 0.729 13.221 -9.271 793 HE3 LYS 101 HE1 LYS 101 0.636 14.973 -9.088 794 HZ1 LYS 101 HZ1 LYS 101 1.720 14.319 -11.162 795 HZ2 LYS 101 HZ2 LYS 101 2.938 13.533 -10.296 796 HZ3 LYS 101 HZ3 LYS 101 2.762 15.196 -10.167 797 H LYS 102 H LYS 102 3.582 12.180 -5.328 798 HA LYS 102 HA LYS 102 4.888 11.624 -7.761 799 HB2 LYS 102 HB2 LYS 102 5.922 12.004 -4.964 800 HB3 LYS 102 HB1 LYS 102 6.923 11.999 -6.409 801 HG2 LYS 102 HG2 LYS 102 5.981 14.014 -7.195 802 HG3 LYS 102 HG1 LYS 102 4.622 13.904 -6.078 803 HD2 LYS 102 HD2 LYS 102 6.198 15.599 -5.336 804 HD3 LYS 102 HD1 LYS 102 6.147 14.255 -4.201 805 HE2 LYS 102 HE2 LYS 102 8.366 14.955 -4.506 806 HE3 LYS 102 HE1 LYS 102 8.189 13.355 -5.192 807 HZ1 LYS 102 HZ1 LYS 102 8.202 15.903 -6.732 808 HZ2 LYS 102 HZ2 LYS 102 8.022 14.387 -7.426 809 HZ3 LYS 102 HZ3 LYS 102 9.470 14.815 -6.696 810 H ALA 103 H ALA 103 4.205 9.798 -4.896 811 HA ALA 103 HA ALA 103 5.974 7.634 -5.395 812 HB1 ALA 103 HB1 ALA 103 4.988 7.985 -3.174 813 HB2 ALA 103 HB2 ALA 103 4.630 6.366 -3.777 814 HB3 ALA 103 HB3 ALA 103 3.391 7.620 -3.825 815 H GLN 104 H GLN 104 2.889 8.521 -6.646 816 HA GLN 104 HA GLN 104 2.155 5.968 -7.701 817 HB2 GLN 104 HB2 GLN 104 1.394 8.722 -8.683 818 HB3 GLN 104 HB1 GLN 104 0.566 7.222 -9.068 819 HG2 GLN 104 HG2 GLN 104 -0.150 6.982 -6.774 820 HG3 GLN 104 HG1 GLN 104 0.793 8.393 -6.307 821 HE21 GLN 104 HE21 GLN 104 -2.071 7.926 -6.073 822 HE22 GLN 104 HE22 GLN 104 -2.821 9.210 -6.934 823 H MET 105 H MET 105 4.277 8.476 -8.577 824 HA MET 105 HA MET 105 4.607 7.648 -11.357 825 HB2 MET 105 HB2 MET 105 6.157 9.726 -9.897 826 HB3 MET 105 HB1 MET 105 5.851 9.632 -11.620 827 HG2 MET 105 HG2 MET 105 3.466 10.074 -11.258 828 HG3 MET 105 HG1 MET 105 3.746 10.212 -9.538 829 HE1 MET 105 HE1 MET 105 5.217 13.255 -12.684 830 HE2 MET 105 HE2 MET 105 4.143 11.902 -13.034 831 HE3 MET 105 HE3 MET 105 5.824 11.600 -12.597 832 H LEU 106 H LEU 106 5.836 7.024 -8.295 833 HA LEU 106 HA LEU 106 8.578 6.793 -8.529 834 HB2 LEU 106 HB2 LEU 106 6.662 6.152 -6.577 835 HB3 LEU 106 HB1 LEU 106 7.394 4.638 -6.981 836 HG LEU 106 HG LEU 106 8.452 5.598 -5.034 837 HD11 LEU 106 HD11 LEU 106 9.790 4.172 -6.441 838 HD12 LEU 106 HD12 LEU 106 10.780 5.448 -5.730 839 HD13 LEU 106 HD13 LEU 106 10.277 5.558 -7.417 840 HD21 LEU 106 HD21 LEU 106 9.807 7.634 -5.194 841 HD22 LEU 106 HD22 LEU 106 8.102 7.958 -5.491 842 HD23 LEU 106 HD23 LEU 106 9.230 7.888 -6.840 843 HA PRO 107 HA PRO 107 7.960 2.184 -10.018 844 HB2 PRO 107 HB2 PRO 107 5.688 1.810 -11.531 845 HB3 PRO 107 HB1 PRO 107 5.876 1.281 -9.856 846 HG2 PRO 107 HG2 PRO 107 4.556 3.731 -10.936 847 HG3 PRO 107 HG1 PRO 107 4.047 2.670 -9.607 848 HD2 PRO 107 HD2 PRO 107 5.210 5.025 -9.131 849 HD3 PRO 107 HD1 PRO 107 5.555 3.610 -8.115 850 H ASN 108 H ASN 108 7.003 5.095 -11.829 851 HA ASN 108 HA ASN 108 8.012 3.852 -14.187 852 HB2 ASN 108 HB2 ASN 108 6.655 6.423 -13.532 853 HB3 ASN 108 HB1 ASN 108 7.469 6.202 -15.067 854 HD21 ASN 108 HD21 ASN 108 4.644 6.598 -14.575 855 HD22 ASN 108 HD22 ASN 108 3.841 5.217 -15.221 856 H GLN 109 H GLN 109 8.808 6.335 -11.871 857 HA GLN 109 HA GLN 109 11.128 7.346 -13.146 858 HB2 GLN 109 HB2 GLN 109 10.401 7.300 -10.218 859 HB3 GLN 109 HB1 GLN 109 11.686 8.264 -10.927 860 HG2 GLN 109 HG2 GLN 109 10.077 9.503 -12.228 861 HG3 GLN 109 HG1 GLN 109 8.769 8.498 -11.612 862 HE21 GLN 109 HE21 GLN 109 11.442 9.666 -9.667 863 HE22 GLN 109 HE22 GLN 109 10.518 10.737 -8.693 864 H CYS 110 H CYS 110 10.631 4.815 -10.770 865 HA CYS 110 HA CYS 110 13.476 4.284 -10.542 866 HB2 CYS 110 HB2 CYS 110 11.811 4.245 -8.612 867 HB3 CYS 110 HB1 CYS 110 11.145 2.825 -9.321 868 H ASN 111 H ASN 111 11.072 3.465 -12.670 869 HA ASN 111 HA ASN 111 10.688 1.867 -14.186 870 HB2 ASN 111 HB2 ASN 111 12.989 2.426 -14.940 871 HB3 ASN 111 HB1 ASN 111 13.628 1.219 -13.835 872 HD21 ASN 111 HD21 ASN 111 11.880 1.724 -16.814 873 HD22 ASN 111 HD22 ASN 111 12.060 0.124 -17.425 874 H LEU 112 H LEU 112 9.562 1.183 -12.281 875 HA LEU 112 HA LEU 112 10.230 -1.545 -11.434 876 HB2 LEU 112 HB2 LEU 112 8.013 0.232 -10.422 877 HB3 LEU 112 HB1 LEU 112 8.605 -1.254 -9.709 878 HG LEU 112 HG LEU 112 10.161 1.292 -9.926 879 HD11 LEU 112 HD11 LEU 112 8.864 -0.010 -7.530 880 HD12 LEU 112 HD12 LEU 112 8.440 1.560 -8.225 881 HD13 LEU 112 HD13 LEU 112 9.992 1.326 -7.445 882 HD21 LEU 112 HD21 LEU 112 11.829 0.167 -8.550 883 HD22 LEU 112 HD22 LEU 112 11.581 -0.669 -10.076 884 HD23 LEU 112 HD23 LEU 112 10.871 -1.314 -8.595 885 H GLN 113 H GLN 113 8.460 -3.105 -11.411 886 HA GLN 113 HA GLN 113 7.269 -3.271 -14.033 887 HB2 GLN 113 HB2 GLN 113 7.015 -5.187 -11.720 888 HB3 GLN 113 HB1 GLN 113 6.756 -5.535 -13.422 889 HG2 GLN 113 HG2 GLN 113 9.142 -5.019 -13.821 890 HG3 GLN 113 HG1 GLN 113 9.313 -4.844 -12.073 891 HE21 GLN 113 HE21 GLN 113 8.812 -7.064 -14.667 892 HE22 GLN 113 HE22 GLN 113 9.105 -8.517 -13.775 893 H CYS 114 H CYS 114 6.064 -1.229 -12.926 894 HA CYS 114 HA CYS 114 3.310 -1.987 -12.614 895 HB2 CYS 114 HB2 CYS 114 5.002 -0.996 -10.441 896 HB3 CYS 114 HB1 CYS 114 3.315 -0.427 -10.448 897 H SER 115 H SER 115 1.929 -0.105 -12.738 898 HA SER 115 HA SER 115 3.153 2.466 -13.171 899 HB2 SER 115 HB2 SER 115 1.760 2.711 -15.314 900 HB3 SER 115 HB1 SER 115 3.182 1.675 -15.430 901 HG SER 115 HG SER 115 0.573 0.731 -14.876 902 H ILE 116 H ILE 116 2.007 3.835 -11.958 903 HA ILE 116 HA ILE 116 -0.683 3.032 -11.194 904 HB ILE 116 HB ILE 116 1.202 4.976 -9.812 905 HG12 ILE 116 HG12 ILE 116 0.331 2.194 -8.983 906 HG13 ILE 116 HG11 ILE 116 1.888 2.575 -9.702 907 HG21 ILE 116 HG21 ILE 116 -1.158 5.552 -9.466 908 HG22 ILE 116 HG22 ILE 116 -0.446 4.925 -7.980 909 HG23 ILE 116 HG23 ILE 116 -1.494 3.897 -8.957 910 HD11 ILE 116 HD11 ILE 116 2.015 2.302 -7.277 911 HD12 ILE 116 HD12 ILE 116 0.874 3.633 -7.064 912 HD13 ILE 116 HD13 ILE 116 2.464 3.929 -7.774 Start of MODEL 12 1 H1 GLY 1 H GLY 1 4.693 -19.516 9.640 2 H2 GLY 1 HT1 GLY 1 5.214 -19.876 10.178 3 H3 GLY 1 HT2 GLY 1 5.158 -21.280 9.247 4 HA2 GLY 1 HA1 GLY 1 6.575 -18.804 8.526 5 HA3 GLY 1 HA2 GLY 1 7.307 -20.306 9.087 6 H ARG 2 H ARG 2 6.005 -18.590 6.464 7 HA ARG 2 HA ARG 2 6.077 -20.931 4.710 8 HB2 ARG 2 HB2 ARG 2 5.095 -18.116 4.313 9 HB3 ARG 2 HB1 ARG 2 5.199 -19.301 3.018 10 HG2 ARG 2 HG2 ARG 2 3.649 -20.754 4.243 11 HG3 ARG 2 HG1 ARG 2 3.571 -19.518 5.510 12 HD2 ARG 2 HD2 ARG 2 1.688 -19.536 3.802 13 HD3 ARG 2 HD1 ARG 2 2.473 -17.998 4.142 14 HE ARG 2 HE ARG 2 3.612 -18.134 2.106 15 HH11 ARG 2 HH11 ARG 2 1.239 -20.737 2.408 16 HH12 ARG 2 HH12 ARG 2 0.964 -20.897 0.750 17 HH21 ARG 2 HH21 ARG 2 3.271 -18.346 -0.182 18 HH22 ARG 2 HH22 ARG 2 2.170 -19.491 -0.783 19 H CYS 3 H CYS 3 7.365 -21.023 2.919 20 HA CYS 3 HA CYS 3 9.373 -18.963 2.623 21 HB2 CYS 3 HB2 CYS 3 10.069 -21.886 2.977 22 HB3 CYS 3 HB1 CYS 3 11.178 -20.599 2.556 23 H THR 4 H THR 4 10.253 -18.919 0.585 24 HA THR 4 HA THR 4 8.601 -19.976 -1.465 25 HB THR 4 HB THR 4 10.225 -18.917 -3.008 26 HG1 THR 4 HG1 THR 4 12.025 -18.037 -2.312 27 HG21 THR 4 HG21 THR 4 8.434 -17.550 -2.064 28 HG22 THR 4 HG22 THR 4 9.902 -16.587 -2.252 29 HG23 THR 4 HG23 THR 4 9.434 -17.185 -0.661 30 H LYS 5 H LYS 5 9.534 -21.268 -3.294 31 HA LYS 5 HA LYS 5 11.115 -23.367 -2.078 32 HB2 LYS 5 HB2 LYS 5 9.475 -23.482 -4.628 33 HB3 LYS 5 HB1 LYS 5 10.453 -24.797 -4.019 34 HG2 LYS 5 HG2 LYS 5 8.240 -25.309 -3.394 35 HG3 LYS 5 HG1 LYS 5 9.028 -24.747 -1.929 36 HD2 LYS 5 HD2 LYS 5 6.805 -23.811 -2.043 37 HD3 LYS 5 HD1 LYS 5 7.975 -22.517 -2.279 38 HE2 LYS 5 HE2 LYS 5 7.610 -22.534 -4.660 39 HE3 LYS 5 HE1 LYS 5 6.575 -23.948 -4.546 40 HZ1 LYS 5 HZ1 LYS 5 5.006 -22.581 -3.253 41 HZ2 LYS 5 HZ2 LYS 5 5.259 -21.968 -4.795 42 HZ3 LYS 5 HZ3 LYS 5 5.994 -21.232 -3.485 43 H SER 6 H SER 6 12.992 -21.964 -2.200 44 HA SER 6 HA SER 6 14.518 -22.540 -4.556 45 HB2 SER 6 HB2 SER 6 13.438 -20.315 -5.016 46 HB3 SER 6 HB1 SER 6 14.168 -19.692 -3.538 47 HG SER 6 HG SER 6 15.349 -19.181 -5.388 48 H ILE 7 H ILE 7 16.826 -21.880 -4.024 49 HA ILE 7 HA ILE 7 17.296 -21.820 -1.146 50 HB ILE 7 HB ILE 7 18.760 -23.616 -3.122 51 HG12 ILE 7 HG12 ILE 7 17.046 -24.269 -0.711 52 HG13 ILE 7 HG11 ILE 7 16.569 -24.465 -2.391 53 HG21 ILE 7 HG21 ILE 7 20.299 -22.632 -1.483 54 HG22 ILE 7 HG22 ILE 7 20.094 -24.365 -1.211 55 HG23 ILE 7 HG23 ILE 7 19.265 -23.203 -0.173 56 HD11 ILE 7 HD11 ILE 7 18.309 -26.145 -2.675 57 HD12 ILE 7 HD12 ILE 7 17.172 -26.570 -1.394 58 HD13 ILE 7 HD13 ILE 7 18.772 -25.945 -0.982 59 HA PRO 8 HA PRO 8 18.404 -20.927 0.327 60 HB2 PRO 8 HB2 PRO 8 18.439 -18.416 1.319 61 HB3 PRO 8 HB1 PRO 8 19.904 -19.396 1.141 62 HG2 PRO 8 HG2 PRO 8 18.825 -17.258 -0.649 63 HG3 PRO 8 HG1 PRO 8 20.491 -17.485 -0.084 64 HD2 PRO 8 HD2 PRO 8 19.675 -18.271 -2.533 65 HD3 PRO 8 HD1 PRO 8 20.904 -19.161 -1.612 66 HA PRO 9 HA PRO 9 14.117 -19.976 -0.292 67 HB2 PRO 9 HB2 PRO 9 13.154 -20.504 2.161 68 HB3 PRO 9 HB1 PRO 9 13.696 -21.786 1.070 69 HG2 PRO 9 HG2 PRO 9 15.121 -20.504 3.364 70 HG3 PRO 9 HG1 PRO 9 15.024 -22.226 2.925 71 HD2 PRO 9 HD2 PRO 9 17.173 -20.667 2.345 72 HD3 PRO 9 HD1 PRO 9 16.665 -22.026 1.322 73 H ILE 10 H ILE 10 12.760 -18.287 -0.102 74 HA ILE 10 HA ILE 10 13.551 -16.082 1.628 75 HB ILE 10 HB ILE 10 11.452 -16.247 -0.563 76 HG12 ILE 10 HG12 ILE 10 13.669 -16.602 -1.491 77 HG13 ILE 10 HG11 ILE 10 13.049 -15.037 -1.997 78 HG21 ILE 10 HG21 ILE 10 10.976 -14.481 1.032 79 HG22 ILE 10 HG22 ILE 10 11.478 -13.795 -0.514 80 HG23 ILE 10 HG23 ILE 10 12.609 -13.846 0.838 81 HD11 ILE 10 HD11 ILE 10 15.099 -15.558 0.150 82 HD12 ILE 10 HD12 ILE 10 14.434 -13.973 -0.243 83 HD13 ILE 10 HD13 ILE 10 15.390 -14.847 -1.441 84 H CYS 11 H CYS 11 12.529 -16.021 3.545 85 HA CYS 11 HA CYS 11 10.071 -17.566 3.741 86 HB2 CYS 11 HB2 CYS 11 12.114 -17.000 5.878 87 HB3 CYS 11 HB1 CYS 11 10.596 -17.866 6.115 88 H PHE 12 H PHE 12 8.385 -16.925 4.951 89 HA PHE 12 HA PHE 12 8.205 -14.058 5.423 90 HB2 PHE 12 HB2 PHE 12 6.347 -15.873 3.957 91 HB3 PHE 12 HB1 PHE 12 5.758 -14.360 4.625 92 HD1 PHE 12 HD1 PHE 12 7.363 -15.925 1.860 93 HD2 PHE 12 HD2 PHE 12 7.073 -12.267 3.994 94 HE1 PHE 12 HE1 PHE 12 8.283 -14.724 -0.080 95 HE2 PHE 12 HE2 PHE 12 7.969 -11.060 2.111 96 HZ PHE 12 HZ PHE 12 8.591 -12.283 0.027 97 HA PRO 13 HA PRO 13 6.798 -15.243 9.475 98 HB2 PRO 13 HB2 PRO 13 5.419 -12.688 9.636 99 HB3 PRO 13 HB1 PRO 13 6.805 -13.255 10.561 100 HG2 PRO 13 HG2 PRO 13 6.938 -11.295 8.658 101 HG3 PRO 13 HG1 PRO 13 8.302 -12.313 9.132 102 HD2 PRO 13 HD2 PRO 13 6.667 -12.402 6.649 103 HD3 PRO 13 HD1 PRO 13 8.332 -12.896 6.960 104 H ASP 14 H ASP 14 4.666 -13.819 7.179 105 HA ASP 14 HA ASP 14 2.477 -15.338 8.377 106 HB2 ASP 14 HB2 ASP 14 2.067 -13.036 8.771 107 HB3 ASP 14 HB1 ASP 14 2.452 -12.636 7.101 108 H GLY 15 H GLY 15 2.758 -13.539 5.389 109 HA2 GLY 15 HA2 GLY 15 2.524 -14.176 3.207 110 HA3 GLY 15 HA1 GLY 15 3.152 -15.741 3.704 111 H LEU 16 H LEU 16 0.201 -14.393 5.052 112 HA LEU 16 HA LEU 16 -1.248 -16.416 3.511 113 HB2 LEU 16 HB2 LEU 16 -0.546 -16.806 6.094 114 HB3 LEU 16 HB1 LEU 16 -2.082 -16.001 6.312 115 HG LEU 16 HG LEU 16 -2.372 -18.402 6.419 116 HD11 LEU 16 HD11 LEU 16 -3.512 -17.307 3.862 117 HD12 LEU 16 HD12 LEU 16 -4.226 -17.180 5.470 118 HD13 LEU 16 HD13 LEU 16 -4.066 -18.758 4.696 119 HD21 LEU 16 HD21 LEU 16 -1.888 -19.855 4.510 120 HD22 LEU 16 HD22 LEU 16 -0.429 -19.068 5.114 121 HD23 LEU 16 HD23 LEU 16 -1.194 -18.487 3.641 122 H ASP 17 H ASP 17 -1.456 -13.572 5.495 123 HA ASP 17 HA ASP 17 -4.046 -12.913 4.184 124 HB2 ASP 17 HB2 ASP 17 -4.175 -13.068 6.653 125 HB3 ASP 17 HB1 ASP 17 -2.916 -11.843 6.777 126 H ASN 18 H ASN 18 -3.718 -11.836 2.458 127 HA ASN 18 HA ASN 18 -1.898 -9.579 2.644 128 HB2 ASN 18 HB2 ASN 18 -0.964 -10.115 0.414 129 HB3 ASN 18 HB1 ASN 18 -0.571 -11.302 1.648 130 HD21 ASN 18 HD21 ASN 18 -2.240 -10.745 -1.374 131 HD22 ASN 18 HD22 ASN 18 -2.683 -12.390 -1.620 132 HA PRO 19 HA PRO 19 -5.321 -7.627 0.492 133 HB2 PRO 19 HB2 PRO 19 -3.591 -5.257 0.530 134 HB3 PRO 19 HB1 PRO 19 -5.166 -5.488 1.279 135 HG2 PRO 19 HG2 PRO 19 -2.868 -5.318 2.716 136 HG3 PRO 19 HG1 PRO 19 -4.282 -6.248 3.241 137 HD2 PRO 19 HD2 PRO 19 -1.716 -7.221 2.053 138 HD3 PRO 19 HD1 PRO 19 -2.756 -7.959 3.288 139 H ARG 20 H ARG 20 -1.894 -7.300 -0.292 140 HA ARG 20 HA ARG 20 -2.616 -7.124 -3.158 141 HB2 ARG 20 HB2 ARG 20 0.058 -6.324 -1.930 142 HB3 ARG 20 HB1 ARG 20 -0.387 -6.164 -3.611 143 HG2 ARG 20 HG2 ARG 20 -0.564 -4.009 -2.772 144 HG3 ARG 20 HG1 ARG 20 -2.229 -4.592 -2.764 145 HD2 ARG 20 HD2 ARG 20 -1.759 -5.339 -0.400 146 HD3 ARG 20 HD1 ARG 20 -0.332 -4.327 -0.472 147 HE ARG 20 HE ARG 20 -2.754 -3.002 -1.287 148 HH11 ARG 20 HH11 ARG 20 -0.508 -3.464 1.447 149 HH12 ARG 20 HH12 ARG 20 -1.236 -2.230 2.372 150 HH21 ARG 20 HH21 ARG 20 -3.734 -1.370 0.071 151 HH22 ARG 20 HH22 ARG 20 -3.099 -1.122 1.644 152 H GLY 21 H GLY 21 -0.096 -8.319 -1.006 153 HA2 GLY 21 HA2 GLY 21 -0.055 -10.921 -1.393 154 HA3 GLY 21 HA1 GLY 21 0.572 -10.315 -2.949 155 H CYS 22 H CYS 22 2.298 -8.743 -2.762 156 HA CYS 22 HA CYS 22 4.454 -9.762 -1.311 157 HB2 CYS 22 HB2 CYS 22 4.022 -7.163 -2.740 158 HB3 CYS 22 HB1 CYS 22 5.538 -7.609 -1.975 159 H GLN 23 H GLN 23 5.138 -9.338 0.700 160 HA GLN 23 HA GLN 23 3.883 -7.085 2.001 161 HB2 GLN 23 HB2 GLN 23 4.326 -8.112 4.163 162 HB3 GLN 23 HB1 GLN 23 3.324 -9.146 3.146 163 HG2 GLN 23 HG2 GLN 23 5.204 -10.550 2.698 164 HG3 GLN 23 HG1 GLN 23 6.269 -9.497 3.622 165 HE21 GLN 23 HE21 GLN 23 6.045 -9.370 5.842 166 HE22 GLN 23 HE22 GLN 23 5.215 -10.560 6.789 167 H ILE 24 H ILE 24 4.992 -5.487 2.229 168 HA ILE 24 HA ILE 24 7.936 -5.656 2.229 169 HB ILE 24 HB ILE 24 6.289 -3.272 1.262 170 HG12 ILE 24 HG12 ILE 24 7.233 -3.999 -1.068 171 HG13 ILE 24 HG11 ILE 24 7.360 -5.585 -0.326 172 HG21 ILE 24 HG21 ILE 24 8.583 -2.730 1.960 173 HG22 ILE 24 HG22 ILE 24 8.349 -2.581 0.203 174 HG23 ILE 24 HG23 ILE 24 9.181 -3.976 0.856 175 HD11 ILE 24 HD11 ILE 24 4.840 -3.981 -0.677 176 HD12 ILE 24 HD12 ILE 24 4.955 -5.556 0.105 177 HD13 ILE 24 HD13 ILE 24 5.333 -5.394 -1.608 178 H ARG 25 H ARG 25 8.897 -4.831 3.908 179 HA ARG 25 HA ARG 25 7.306 -4.295 6.155 180 HB2 ARG 25 HB2 ARG 25 9.450 -3.996 7.329 181 HB3 ARG 25 HB1 ARG 25 9.356 -5.491 6.418 182 HG2 ARG 25 HG2 ARG 25 10.654 -4.289 4.592 183 HG3 ARG 25 HG1 ARG 25 10.882 -3.009 5.772 184 HD2 ARG 25 HD2 ARG 25 12.755 -4.529 5.722 185 HD3 ARG 25 HD1 ARG 25 11.926 -4.534 7.298 186 HE ARG 25 HE ARG 25 11.119 -6.545 5.398 187 HH11 ARG 25 HH11 ARG 25 13.246 -5.830 8.141 188 HH12 ARG 25 HH12 ARG 25 13.503 -7.452 8.554 189 HH21 ARG 25 HH21 ARG 25 11.460 -8.776 5.973 190 HH22 ARG 25 HH22 ARG 25 12.475 -9.171 7.282 191 H ILE 26 H ILE 26 6.538 -2.540 6.918 192 HA ILE 26 HA ILE 26 6.660 -0.168 5.436 193 HB ILE 26 HB ILE 26 5.335 0.904 7.250 194 HG12 ILE 26 HG12 ILE 26 4.364 -0.703 9.025 195 HG13 ILE 26 HG11 ILE 26 5.717 -1.757 8.668 196 HG21 ILE 26 HG21 ILE 26 4.389 -1.785 6.326 197 HG22 ILE 26 HG22 ILE 26 4.263 -0.257 5.455 198 HG23 ILE 26 HG23 ILE 26 3.353 -0.501 6.952 199 HD11 ILE 26 HD11 ILE 26 6.103 -0.462 10.679 200 HD12 ILE 26 HD12 ILE 26 5.876 1.038 9.780 201 HD13 ILE 26 HD13 ILE 26 7.255 -0.003 9.424 202 H GLN 27 H GLN 27 8.717 -1.322 7.759 203 HA GLN 27 HA GLN 27 9.653 1.199 8.752 204 HB2 GLN 27 HB2 GLN 27 11.372 -0.113 9.878 205 HB3 GLN 27 HB1 GLN 27 9.783 -0.840 10.096 206 HG2 GLN 27 HG2 GLN 27 10.304 -2.433 8.293 207 HG3 GLN 27 HG1 GLN 27 11.921 -1.750 8.190 208 HE21 GLN 27 HE21 GLN 27 9.754 -3.680 10.035 209 HE22 GLN 27 HE22 GLN 27 10.925 -4.350 11.105 210 H GLN 28 H GLN 28 10.106 -0.528 5.858 211 HA GLN 28 HA GLN 28 12.653 0.790 5.497 212 HB2 GLN 28 HB2 GLN 28 13.187 -0.752 3.758 213 HB3 GLN 28 HB1 GLN 28 12.319 -1.634 5.022 214 HG2 GLN 28 HG2 GLN 28 10.361 -1.723 3.716 215 HG3 GLN 28 HG1 GLN 28 11.134 -0.764 2.445 216 HE21 GLN 28 HE21 GLN 28 13.765 -2.062 2.720 217 HE22 GLN 28 HE22 GLN 28 13.552 -3.639 2.069 218 H LEU 29 H LEU 29 9.471 1.283 4.944 219 HA LEU 29 HA LEU 29 10.012 3.096 2.692 220 HB2 LEU 29 HB2 LEU 29 7.381 2.050 3.675 221 HB3 LEU 29 HB1 LEU 29 7.528 3.335 2.504 222 HG LEU 29 HG LEU 29 7.107 1.526 1.221 223 HD11 LEU 29 HD11 LEU 29 9.149 0.991 -0.024 224 HD12 LEU 29 HD12 LEU 29 10.103 1.629 1.323 225 HD13 LEU 29 HD13 LEU 29 9.051 2.705 0.419 226 HD21 LEU 29 HD21 LEU 29 8.972 -0.081 2.934 227 HD22 LEU 29 HD22 LEU 29 8.119 -0.693 1.508 228 HD23 LEU 29 HD23 LEU 29 7.211 -0.164 2.931 229 H ASN 30 H ASN 30 10.085 3.307 5.843 230 HA ASN 30 HA ASN 30 8.308 5.342 6.552 231 HB2 ASN 30 HB2 ASN 30 9.633 4.059 8.223 232 HB3 ASN 30 HB1 ASN 30 11.070 4.934 7.719 233 HD21 ASN 30 HD21 ASN 30 7.818 6.340 8.139 234 HD22 ASN 30 HD22 ASN 30 8.257 7.362 9.441 235 H HIS 31 H HIS 31 11.392 5.543 4.904 236 HA HIS 31 HA HIS 31 11.792 8.350 5.350 237 HB2 HIS 31 HB2 HIS 31 13.552 6.526 4.439 238 HB3 HIS 31 HB1 HIS 31 12.805 6.968 2.921 239 HD1 HIS 31 HD1 HIS 31 15.679 7.836 4.699 240 HD2 HIS 31 HD2 HIS 31 12.768 10.010 2.677 241 HE1 HIS 31 HE1 HIS 31 16.729 10.043 4.152 242 H CYS 32 H CYS 32 10.742 6.424 2.611 243 HA CYS 32 HA CYS 32 10.113 8.383 0.771 244 HB2 CYS 32 HB2 CYS 32 10.112 5.662 0.866 245 HB3 CYS 32 HB1 CYS 32 8.388 5.973 0.929 246 H GLN 33 H GLN 33 7.980 6.654 3.049 247 HA GLN 33 HA GLN 33 5.612 7.903 2.796 248 HB2 GLN 33 HB2 GLN 33 5.836 6.006 4.093 249 HB3 GLN 33 HB1 GLN 33 7.085 6.712 5.106 250 HG2 GLN 33 HG2 GLN 33 5.389 8.329 5.848 251 HG3 GLN 33 HG1 GLN 33 4.145 7.331 5.093 252 HE21 GLN 33 HE21 GLN 33 3.152 6.717 7.048 253 HE22 GLN 33 HE22 GLN 33 3.916 5.752 8.237 254 H MET 34 H MET 34 8.127 8.773 5.226 255 HA MET 34 HA MET 34 6.599 10.947 6.194 256 HB2 MET 34 HB2 MET 34 8.497 11.594 7.538 257 HB3 MET 34 HB1 MET 34 8.206 9.858 7.664 258 HG2 MET 34 HG2 MET 34 10.103 9.459 6.180 259 HG3 MET 34 HG1 MET 34 10.357 11.195 6.024 260 HE1 MET 34 HE1 MET 34 11.258 12.751 7.933 261 HE2 MET 34 HE2 MET 34 11.554 12.222 9.586 262 HE3 MET 34 HE3 MET 34 9.905 12.294 8.971 263 H HIS 35 H HIS 35 9.204 10.769 3.930 264 HA HIS 35 HA HIS 35 9.696 13.562 3.835 265 HB2 HIS 35 HB2 HIS 35 11.093 11.501 2.963 266 HB3 HIS 35 HB1 HIS 35 10.236 11.837 1.466 267 HD1 HIS 35 HD1 HIS 35 10.367 14.974 1.510 268 HD2 HIS 35 HD2 HIS 35 13.502 12.435 2.493 269 HE1 HIS 35 HE1 HIS 35 12.486 16.286 1.087 270 H LEU 36 H LEU 36 7.427 11.477 2.216 271 HA LEU 36 HA LEU 36 6.610 13.532 0.376 272 HB2 LEU 36 HB2 LEU 36 5.359 10.876 1.024 273 HB3 LEU 36 HB1 LEU 36 4.752 11.991 -0.198 274 HG LEU 36 HG LEU 36 7.434 10.606 -0.200 275 HD11 LEU 36 HD11 LEU 36 6.563 9.368 -2.112 276 HD12 LEU 36 HD12 LEU 36 5.004 10.167 -1.913 277 HD13 LEU 36 HD13 LEU 36 5.608 9.084 -0.657 278 HD21 LEU 36 HD21 LEU 36 6.197 12.433 -2.261 279 HD22 LEU 36 HD22 LEU 36 7.666 11.490 -2.492 280 HD23 LEU 36 HD23 LEU 36 7.628 12.770 -1.284 281 H THR 37 H THR 37 5.417 12.295 3.506 282 HA THR 37 HA THR 37 3.096 13.952 3.238 283 HB THR 37 HB THR 37 2.644 13.269 5.577 284 HG1 THR 37 HG1 THR 37 4.931 12.960 6.141 285 HG21 THR 37 HG21 THR 37 2.310 10.887 5.055 286 HG22 THR 37 HG22 THR 37 3.365 11.080 3.652 287 HG23 THR 37 HG23 THR 37 1.823 11.930 3.719 288 H SER 38 H SER 38 6.255 14.383 4.348 289 HA SER 38 HA SER 38 5.589 16.632 6.034 290 HB2 SER 38 HB2 SER 38 7.300 15.095 6.838 291 HB3 SER 38 HB1 SER 38 8.249 15.377 5.381 292 HG SER 38 HG SER 38 7.509 17.464 7.129 293 H PHE 39 H PHE 39 5.382 18.543 5.195 294 HA PHE 39 HA PHE 39 7.046 19.255 2.905 295 HB2 PHE 39 HB2 PHE 39 4.756 20.759 4.226 296 HB3 PHE 39 HB1 PHE 39 5.733 21.389 2.904 297 HD1 PHE 39 HD1 PHE 39 2.953 19.327 3.819 298 HD2 PHE 39 HD2 PHE 39 5.695 20.246 0.704 299 HE1 PHE 39 HE1 PHE 39 1.455 18.277 2.194 300 HE2 PHE 39 HE2 PHE 39 4.199 19.195 -0.935 301 HZ PHE 39 HZ PHE 39 2.077 18.209 -0.195 302 H ASP 40 H ASP 40 8.980 19.560 3.685 303 HA ASP 40 HA ASP 40 9.419 20.318 6.376 304 HB2 ASP 40 HB2 ASP 40 10.877 18.829 4.822 305 HB3 ASP 40 HB1 ASP 40 11.608 20.339 4.329 306 H TYR 41 H TYR 41 11.377 21.949 6.648 307 HA TYR 41 HA TYR 41 10.038 24.486 6.112 308 HB2 TYR 41 HB2 TYR 41 11.072 25.181 8.298 309 HB3 TYR 41 HB1 TYR 41 9.929 23.830 8.294 310 HD1 TYR 41 HD1 TYR 41 10.432 21.795 9.285 311 HD2 TYR 41 HD2 TYR 41 13.573 24.504 8.403 312 HE1 TYR 41 HE1 TYR 41 12.023 20.314 10.441 313 HE2 TYR 41 HE2 TYR 41 15.167 23.048 9.539 314 HH TYR 41 HH TYR 41 14.425 19.862 10.387 315 H LYS 42 H LYS 42 13.140 22.832 6.023 316 HA LYS 42 HA LYS 42 14.446 25.353 5.531 317 HB2 LYS 42 HB2 LYS 42 16.495 24.310 5.920 318 HB3 LYS 42 HB1 LYS 42 15.331 23.371 6.856 319 HG2 LYS 42 HG2 LYS 42 16.302 22.502 4.132 320 HG3 LYS 42 HG1 LYS 42 17.132 22.050 5.617 321 HD2 LYS 42 HD2 LYS 42 15.047 20.975 6.382 322 HD3 LYS 42 HD1 LYS 42 14.298 21.394 4.843 323 HE2 LYS 42 HE2 LYS 42 15.927 20.033 3.655 324 HE3 LYS 42 HE1 LYS 42 16.751 19.675 5.172 325 HZ1 LYS 42 HZ1 LYS 42 15.325 17.844 4.546 326 HZ2 LYS 42 HZ2 LYS 42 13.979 18.814 4.458 327 HZ3 LYS 42 HZ3 LYS 42 14.727 18.550 5.935 328 H LEU 43 H LEU 43 12.584 23.673 3.731 329 HA LEU 43 HA LEU 43 14.034 23.354 1.284 330 HB2 LEU 43 HB2 LEU 43 11.058 23.583 1.682 331 HB3 LEU 43 HB1 LEU 43 11.883 22.904 0.296 332 HG LEU 43 HG LEU 43 11.898 21.764 3.066 333 HD11 LEU 43 HD11 LEU 43 9.727 21.583 2.123 334 HD12 LEU 43 HD12 LEU 43 10.482 19.995 2.105 335 HD13 LEU 43 HD13 LEU 43 10.364 20.935 0.607 336 HD21 LEU 43 HD21 LEU 43 13.919 21.197 1.868 337 HD22 LEU 43 HD22 LEU 43 12.976 20.643 0.481 338 HD23 LEU 43 HD23 LEU 43 12.886 19.778 2.020 339 H ARG 44 H ARG 44 14.966 25.342 0.966 340 HA ARG 44 HA ARG 44 13.123 27.531 0.168 341 HB2 ARG 44 HB2 ARG 44 16.008 27.753 1.009 342 HB3 ARG 44 HB1 ARG 44 14.961 29.078 0.546 343 HG2 ARG 44 HG2 ARG 44 13.591 28.720 2.506 344 HG3 ARG 44 HG1 ARG 44 14.572 27.317 2.952 345 HD2 ARG 44 HD2 ARG 44 15.547 30.140 2.669 346 HD3 ARG 44 HD1 ARG 44 15.274 29.301 4.201 347 HE ARG 44 HE ARG 44 16.979 27.665 2.967 348 HH11 ARG 44 HH11 ARG 44 17.122 31.177 3.384 349 HH12 ARG 44 HH12 ARG 44 18.822 31.228 3.423 350 HH21 ARG 44 HH21 ARG 44 19.292 27.744 2.986 351 HH22 ARG 44 HH22 ARG 44 20.091 29.223 3.214 352 H MET 45 H MET 45 16.004 25.710 -0.515 353 HA MET 45 HA MET 45 16.241 26.939 -3.148 354 HB2 MET 45 HB2 MET 45 18.092 25.037 -1.703 355 HB3 MET 45 HB1 MET 45 18.449 25.945 -3.165 356 HG2 MET 45 HG2 MET 45 17.848 27.174 -0.497 357 HG3 MET 45 HG1 MET 45 19.485 26.899 -1.107 358 HE1 MET 45 HE1 MET 45 18.424 29.685 -0.022 359 HE2 MET 45 HE2 MET 45 19.075 30.785 -1.236 360 HE3 MET 45 HE3 MET 45 20.053 29.442 -0.653 361 H ALA 46 H ALA 46 14.343 24.834 -1.993 362 HA ALA 46 HA ALA 46 14.600 22.974 -4.226 363 HB1 ALA 46 HB1 ALA 46 15.405 21.839 -2.214 364 HB2 ALA 46 HB2 ALA 46 13.918 21.115 -2.838 365 HB3 ALA 46 HB3 ALA 46 13.863 22.168 -1.422 366 H VAL 47 H VAL 47 13.055 24.146 -5.267 367 HA VAL 47 HA VAL 47 10.349 24.052 -4.102 368 HB VAL 47 HB VAL 47 11.367 25.733 -6.413 369 HG11 VAL 47 HG11 VAL 47 9.233 26.935 -6.250 370 HG12 VAL 47 HG12 VAL 47 8.710 25.825 -4.985 371 HG13 VAL 47 HG13 VAL 47 8.990 25.226 -6.621 372 HG21 VAL 47 HG21 VAL 47 12.333 26.488 -4.311 373 HG22 VAL 47 HG22 VAL 47 10.729 26.563 -3.582 374 HG23 VAL 47 HG23 VAL 47 11.150 27.660 -4.895 375 H GLU 48 H GLU 48 11.932 23.898 -7.271 376 HA GLU 48 HA GLU 48 10.466 21.447 -7.900 377 HB2 GLU 48 HB2 GLU 48 10.041 22.392 -10.192 378 HB3 GLU 48 HB1 GLU 48 9.150 23.198 -8.911 379 HG2 GLU 48 HG2 GLU 48 10.850 24.991 -8.915 380 HG3 GLU 48 HG1 GLU 48 11.636 24.200 -10.280 381 H ASN 49 H ASN 49 13.052 22.063 -7.029 382 HA ASN 49 HA ASN 49 14.946 22.117 -9.196 383 HB2 ASN 49 HB2 ASN 49 15.324 21.671 -6.235 384 HB3 ASN 49 HB1 ASN 49 16.624 21.914 -7.395 385 HD21 ASN 49 HD21 ASN 49 17.011 23.952 -8.183 386 HD22 ASN 49 HD22 ASN 49 16.250 25.356 -7.570 387 HA PRO 50 HA PRO 50 15.421 17.809 -10.040 388 HB2 PRO 50 HB2 PRO 50 18.185 17.669 -10.195 389 HB3 PRO 50 HB1 PRO 50 17.122 18.192 -11.507 390 HG2 PRO 50 HG2 PRO 50 18.659 19.832 -9.538 391 HG3 PRO 50 HG1 PRO 50 18.439 20.096 -11.277 392 HD2 PRO 50 HD2 PRO 50 17.046 21.508 -9.514 393 HD3 PRO 50 HD1 PRO 50 16.272 20.914 -10.997 394 H LYS 51 H LYS 51 17.343 19.221 -7.490 395 HA LYS 51 HA LYS 51 18.279 16.838 -6.281 396 HB2 LYS 51 HB2 LYS 51 17.942 19.602 -5.232 397 HB3 LYS 51 HB1 LYS 51 18.619 18.306 -4.259 398 HG2 LYS 51 HG2 LYS 51 19.637 19.202 -6.906 399 HG3 LYS 51 HG1 LYS 51 20.325 19.738 -5.366 400 HD2 LYS 51 HD2 LYS 51 20.290 16.923 -6.517 401 HD3 LYS 51 HD1 LYS 51 21.686 17.964 -6.284 402 HE2 LYS 51 HE2 LYS 51 19.978 16.788 -4.088 403 HE3 LYS 51 HE1 LYS 51 21.576 16.248 -4.563 404 HZ1 LYS 51 HZ1 LYS 51 21.698 17.652 -2.620 405 HZ2 LYS 51 HZ2 LYS 51 20.902 18.893 -3.392 406 HZ3 LYS 51 HZ3 LYS 51 22.442 18.450 -3.913 407 H GLN 52 H GLN 52 15.176 17.950 -6.359 408 HA GLN 52 HA GLN 52 14.359 16.958 -3.808 409 HB2 GLN 52 HB2 GLN 52 12.806 17.486 -6.323 410 HB3 GLN 52 HB1 GLN 52 12.045 16.935 -4.833 411 HG2 GLN 52 HG2 GLN 52 12.884 18.937 -3.680 412 HG3 GLN 52 HG1 GLN 52 13.601 19.491 -5.189 413 HE21 GLN 52 HE21 GLN 52 11.525 20.652 -3.440 414 HE22 GLN 52 HE22 GLN 52 10.191 20.953 -4.489 415 H GLN 53 H GLN 53 15.332 15.456 -6.667 416 HA GLN 53 HA GLN 53 13.929 12.987 -6.399 417 HB2 GLN 53 HB2 GLN 53 15.425 12.115 -8.042 418 HB3 GLN 53 HB1 GLN 53 15.074 13.778 -8.496 419 HG2 GLN 53 HG2 GLN 53 17.224 14.474 -7.528 420 HG3 GLN 53 HG1 GLN 53 17.570 12.799 -7.124 421 HE21 GLN 53 HE21 GLN 53 16.352 11.879 -9.690 422 HE22 GLN 53 HE22 GLN 53 17.539 12.231 -10.878 423 H GLN 54 H GLN 54 16.127 14.363 -4.381 424 HA GLN 54 HA GLN 54 18.001 12.407 -3.771 425 HB2 GLN 54 HB2 GLN 54 18.246 13.517 -1.608 426 HB3 GLN 54 HB1 GLN 54 18.122 14.679 -2.925 427 HG2 GLN 54 HG2 GLN 54 15.794 15.095 -2.366 428 HG3 GLN 54 HG1 GLN 54 15.871 13.914 -1.077 429 HE21 GLN 54 HE21 GLN 54 17.080 14.381 0.772 430 HE22 GLN 54 HE22 GLN 54 17.564 15.994 1.152 431 H HIS 55 H HIS 55 14.732 12.796 -2.496 432 HA HIS 55 HA HIS 55 15.021 10.592 -0.725 433 HB2 HIS 55 HB2 HIS 55 12.507 10.737 -0.434 434 HB3 HIS 55 HB1 HIS 55 13.398 12.189 -0.029 435 HD1 HIS 55 HD1 HIS 55 11.350 13.730 -0.377 436 HD2 HIS 55 HD2 HIS 55 12.397 11.535 -3.719 437 HE1 HIS 55 HE1 HIS 55 9.984 14.666 -2.269 438 H LEU 56 H LEU 56 14.427 10.859 -3.982 439 HA LEU 56 HA LEU 56 13.093 8.322 -4.248 440 HB2 LEU 56 HB2 LEU 56 12.569 10.160 -5.824 441 HB3 LEU 56 HB1 LEU 56 14.234 10.208 -6.337 442 HG LEU 56 HG LEU 56 12.585 9.157 -7.950 443 HD11 LEU 56 HD11 LEU 56 14.936 8.781 -8.249 444 HD12 LEU 56 HD12 LEU 56 14.032 7.314 -8.632 445 HD13 LEU 56 HD13 LEU 56 14.899 7.449 -7.099 446 HD21 LEU 56 HD21 LEU 56 12.624 6.914 -5.949 447 HD22 LEU 56 HD22 LEU 56 11.909 6.851 -7.563 448 HD23 LEU 56 HD23 LEU 56 11.252 7.947 -6.343 449 H SER 57 H SER 57 16.286 9.754 -4.782 450 HA SER 57 HA SER 57 17.631 7.511 -5.696 451 HB2 SER 57 HB2 SER 57 18.689 9.680 -3.864 452 HB3 SER 57 HB1 SER 57 19.658 8.621 -4.894 453 HG SER 57 HG SER 57 17.988 9.674 -6.539 454 H LEU 58 H LEU 58 16.580 8.369 -2.512 455 HA LEU 58 HA LEU 58 18.015 6.210 -1.231 456 HB2 LEU 58 HB2 LEU 58 15.891 8.036 -0.124 457 HB3 LEU 58 HB1 LEU 58 16.991 7.027 0.800 458 HG LEU 58 HG LEU 58 17.801 9.357 -0.935 459 HD11 LEU 58 HD11 LEU 58 17.681 9.127 2.060 460 HD12 LEU 58 HD12 LEU 58 16.629 10.108 1.039 461 HD13 LEU 58 HD13 LEU 58 18.348 10.488 1.160 462 HD21 LEU 58 HD21 LEU 58 19.446 7.634 0.918 463 HD22 LEU 58 HD22 LEU 58 20.015 9.092 0.109 464 HD23 LEU 58 HD23 LEU 58 19.554 7.683 -0.842 465 H CYS 59 H CYS 59 14.565 7.044 -1.685 466 HA CYS 59 HA CYS 59 13.501 4.713 -0.626 467 HB2 CYS 59 HB2 CYS 59 12.244 6.738 -0.936 468 HB3 CYS 59 HB1 CYS 59 12.345 6.616 -2.675 469 H CYS 60 H CYS 60 14.174 5.507 -4.091 470 HA CYS 60 HA CYS 60 13.266 3.096 -5.184 471 HB2 CYS 60 HB2 CYS 60 13.616 4.974 -6.646 472 HB3 CYS 60 HB1 CYS 60 15.296 5.111 -6.169 473 H ASN 61 H ASN 61 16.234 3.958 -3.646 474 HA ASN 61 HA ASN 61 17.658 1.637 -4.613 475 HB2 ASN 61 HB2 ASN 61 18.736 3.747 -4.069 476 HB3 ASN 61 HB1 ASN 61 18.384 3.515 -2.360 477 HD21 ASN 61 HD21 ASN 61 19.447 1.084 -4.712 478 HD22 ASN 61 HD22 ASN 61 20.931 0.724 -3.921 479 H GLN 62 H GLN 62 15.664 2.470 -1.992 480 HA GLN 62 HA GLN 62 16.448 0.250 -0.378 481 HB2 GLN 62 HB2 GLN 62 15.643 2.374 0.637 482 HB3 GLN 62 HB1 GLN 62 14.096 2.136 -0.144 483 HG2 GLN 62 HG2 GLN 62 13.910 1.523 2.164 484 HG3 GLN 62 HG1 GLN 62 13.741 0.093 1.156 485 HE21 GLN 62 HE21 GLN 62 16.806 1.643 1.952 486 HE22 GLN 62 HE22 GLN 62 17.410 0.335 2.894 487 H LEU 63 H LEU 63 13.672 1.146 -2.367 488 HA LEU 63 HA LEU 63 12.170 -1.195 -1.874 489 HB2 LEU 63 HB2 LEU 63 10.657 -0.380 -3.545 490 HB3 LEU 63 HB1 LEU 63 11.281 0.986 -2.649 491 HG LEU 63 HG LEU 63 12.965 1.163 -4.608 492 HD11 LEU 63 HD11 LEU 63 10.659 -0.193 -5.942 493 HD12 LEU 63 HD12 LEU 63 12.292 -0.831 -5.751 494 HD13 LEU 63 HD13 LEU 63 12.017 0.616 -6.733 495 HD21 LEU 63 HD21 LEU 63 11.508 2.886 -4.012 496 HD22 LEU 63 HD22 LEU 63 10.115 2.025 -4.684 497 HD23 LEU 63 HD23 LEU 63 11.400 2.629 -5.761 498 H GLN 64 H GLN 64 14.624 -0.398 -4.218 499 HA GLN 64 HA GLN 64 14.032 -2.458 -6.051 500 HB2 GLN 64 HB2 GLN 64 16.099 -1.872 -7.138 501 HB3 GLN 64 HB1 GLN 64 15.369 -0.408 -6.468 502 HG2 GLN 64 HG2 GLN 64 16.817 -0.288 -4.734 503 HG3 GLN 64 HG1 GLN 64 17.481 -1.907 -4.987 504 HE21 GLN 64 HE21 GLN 64 18.838 -2.220 -6.818 505 HE22 GLN 64 HE22 GLN 64 19.689 -0.906 -7.540 506 H GLU 65 H GLU 65 15.459 -2.528 -2.983 507 HA GLU 65 HA GLU 65 16.981 -4.929 -3.405 508 HB2 GLU 65 HB2 GLU 65 16.288 -3.357 -0.932 509 HB3 GLU 65 HB1 GLU 65 17.220 -4.849 -0.890 510 HG2 GLU 65 HG2 GLU 65 17.982 -2.375 -2.416 511 HG3 GLU 65 HG1 GLU 65 18.632 -2.848 -0.844 512 H VAL 66 H VAL 66 13.819 -4.063 -2.712 513 HA VAL 66 HA VAL 66 12.993 -6.558 -1.487 514 HB VAL 66 HB VAL 66 11.204 -4.556 -2.913 515 HG11 VAL 66 HG11 VAL 66 10.644 -6.360 -0.568 516 HG12 VAL 66 HG12 VAL 66 10.166 -6.655 -2.233 517 HG13 VAL 66 HG13 VAL 66 9.487 -5.282 -1.354 518 HG21 VAL 66 HG21 VAL 66 12.576 -3.277 -1.374 519 HG22 VAL 66 HG22 VAL 66 12.135 -4.360 -0.050 520 HG23 VAL 66 HG23 VAL 66 10.907 -3.347 -0.813 521 H GLU 67 H GLU 67 11.462 -7.991 -2.639 522 HA GLU 67 HA GLU 67 12.453 -9.219 -4.861 523 HB2 GLU 67 HB2 GLU 67 9.658 -8.963 -3.904 524 HB3 GLU 67 HB1 GLU 67 10.125 -10.081 -5.189 525 HG2 GLU 67 HG2 GLU 67 11.594 -11.155 -3.697 526 HG3 GLU 67 HG1 GLU 67 11.151 -10.052 -2.375 527 H LYS 68 H LYS 68 12.008 -9.237 -7.003 528 HA LYS 68 HA LYS 68 11.909 -6.871 -8.362 529 HB2 LYS 68 HB2 LYS 68 11.521 -8.214 -10.391 530 HB3 LYS 68 HB1 LYS 68 12.808 -8.846 -9.378 531 HG2 LYS 68 HG2 LYS 68 11.206 -10.514 -8.474 532 HG3 LYS 68 HG1 LYS 68 10.002 -9.917 -9.613 533 HD2 LYS 68 HD2 LYS 68 12.685 -11.013 -10.365 534 HD3 LYS 68 HD1 LYS 68 11.195 -11.965 -10.362 535 HE2 LYS 68 HE2 LYS 68 10.262 -10.401 -12.053 536 HE3 LYS 68 HE1 LYS 68 11.798 -9.543 -12.072 537 HZ1 LYS 68 HZ1 LYS 68 11.626 -11.129 -13.909 538 HZ2 LYS 68 HZ2 LYS 68 11.445 -12.402 -12.824 539 HZ3 LYS 68 HZ3 LYS 68 12.881 -11.539 -12.869 540 H GLN 69 H GLN 69 9.235 -8.927 -7.545 541 HA GLN 69 HA GLN 69 7.392 -7.373 -9.155 542 HB2 GLN 69 HB2 GLN 69 5.686 -8.975 -8.274 543 HB3 GLN 69 HB1 GLN 69 7.021 -9.742 -9.125 544 HG2 GLN 69 HG2 GLN 69 8.066 -10.329 -7.021 545 HG3 GLN 69 HG1 GLN 69 6.801 -9.503 -6.134 546 HE21 GLN 69 HE21 GLN 69 4.645 -10.462 -7.799 547 HE22 GLN 69 HE22 GLN 69 4.457 -12.133 -7.465 548 H CYS 70 H CYS 70 8.628 -7.358 -6.029 549 HA CYS 70 HA CYS 70 6.205 -6.299 -4.835 550 HB2 CYS 70 HB2 CYS 70 8.775 -7.145 -3.598 551 HB3 CYS 70 HB1 CYS 70 7.294 -6.763 -2.717 552 H GLN 71 H GLN 71 9.115 -5.276 -6.186 553 HA GLN 71 HA GLN 71 9.810 -2.980 -4.754 554 HB2 GLN 71 HB2 GLN 71 9.720 -3.528 -7.687 555 HB3 GLN 71 HB1 GLN 71 10.479 -2.085 -6.992 556 HG2 GLN 71 HG2 GLN 71 12.073 -3.470 -5.892 557 HG3 GLN 71 HG1 GLN 71 11.325 -4.952 -6.507 558 HE21 GLN 71 HE21 GLN 71 11.288 -5.194 -8.870 559 HE22 GLN 71 HE22 GLN 71 12.555 -4.513 -9.818 560 H CYS 72 H CYS 72 7.378 -3.380 -7.320 561 HA CYS 72 HA CYS 72 6.550 -0.673 -7.017 562 HB2 CYS 72 HB2 CYS 72 4.700 -1.322 -8.596 563 HB3 CYS 72 HB1 CYS 72 6.356 -1.476 -9.172 564 H GLU 73 H GLU 73 5.727 -3.611 -5.639 565 HA GLU 73 HA GLU 73 3.191 -2.819 -4.772 566 HB2 GLU 73 HB2 GLU 73 5.005 -4.927 -3.668 567 HB3 GLU 73 HB1 GLU 73 3.325 -4.723 -3.207 568 HG2 GLU 73 HG2 GLU 73 4.322 -5.351 -5.983 569 HG3 GLU 73 HG1 GLU 73 3.534 -6.484 -4.893 570 H ALA 74 H ALA 74 6.455 -2.511 -3.529 571 HA ALA 74 HA ALA 74 5.923 -1.712 -0.953 572 HB1 ALA 74 HB1 ALA 74 8.157 -0.716 -1.025 573 HB2 ALA 74 HB2 ALA 74 8.158 -0.835 -2.785 574 HB3 ALA 74 HB3 ALA 74 8.156 -2.299 -1.806 575 H ILE 75 H ILE 75 5.602 -0.153 -4.011 576 HA ILE 75 HA ILE 75 5.623 2.542 -3.137 577 HB ILE 75 HB ILE 75 4.273 1.388 -5.587 578 HG12 ILE 75 HG12 ILE 75 6.552 0.659 -5.603 579 HG13 ILE 75 HG11 ILE 75 6.384 1.944 -6.797 580 HG21 ILE 75 HG21 ILE 75 5.302 4.162 -5.074 581 HG22 ILE 75 HG22 ILE 75 3.616 3.660 -5.058 582 HG23 ILE 75 HG23 ILE 75 4.536 3.588 -6.558 583 HD11 ILE 75 HD11 ILE 75 7.392 3.482 -5.096 584 HD12 ILE 75 HD12 ILE 75 8.425 2.168 -5.670 585 HD13 ILE 75 HD13 ILE 75 7.659 2.042 -4.088 586 H LYS 76 H LYS 76 3.286 -0.033 -3.113 587 HA LYS 76 HA LYS 76 0.962 1.716 -3.137 588 HB2 LYS 76 HB2 LYS 76 1.115 -1.168 -2.199 589 HB3 LYS 76 HB1 LYS 76 -0.328 -0.281 -2.637 590 HG2 LYS 76 HG2 LYS 76 1.839 -1.259 -4.491 591 HG3 LYS 76 HG1 LYS 76 0.195 -1.879 -4.359 592 HD2 LYS 76 HD2 LYS 76 -0.570 0.438 -5.054 593 HD3 LYS 76 HD1 LYS 76 1.119 0.776 -5.437 594 HE2 LYS 76 HE2 LYS 76 -0.671 -1.311 -6.682 595 HE3 LYS 76 HE1 LYS 76 0.009 0.108 -7.447 596 HZ1 LYS 76 HZ1 LYS 76 1.531 -2.321 -6.578 597 HZ2 LYS 76 HZ2 LYS 76 2.245 -0.897 -7.155 598 HZ3 LYS 76 HZ3 LYS 76 1.203 -1.781 -8.132 599 H GLN 77 H GLN 77 2.923 -0.093 -1.073 600 HA GLN 77 HA GLN 77 1.715 0.133 1.434 601 HB2 GLN 77 HB2 GLN 77 4.621 0.005 0.748 602 HB3 GLN 77 HB1 GLN 77 3.900 -0.399 2.290 603 HG2 GLN 77 HG2 GLN 77 2.917 -1.752 -0.112 604 HG3 GLN 77 HG1 GLN 77 4.445 -2.307 0.493 605 HE21 GLN 77 HE21 GLN 77 2.089 -3.855 0.338 606 HE22 GLN 77 HE22 GLN 77 1.575 -4.256 1.948 607 H VAL 78 H VAL 78 4.154 2.146 -0.226 608 HA VAL 78 HA VAL 78 4.634 3.875 1.886 609 HB VAL 78 HB VAL 78 4.672 4.780 -1.017 610 HG11 VAL 78 HG11 VAL 78 6.313 6.384 -0.277 611 HG12 VAL 78 HG12 VAL 78 6.149 5.759 1.368 612 HG13 VAL 78 HG13 VAL 78 4.778 6.552 0.595 613 HG21 VAL 78 HG21 VAL 78 6.904 3.537 0.561 614 HG22 VAL 78 HG22 VAL 78 7.013 4.167 -1.084 615 HG23 VAL 78 HG23 VAL 78 6.021 2.747 -0.740 616 H VAL 79 H VAL 79 2.203 3.929 -0.694 617 HA VAL 79 HA VAL 79 1.209 6.524 -0.143 618 HB VAL 79 HB VAL 79 -0.288 4.194 -1.371 619 HG11 VAL 79 HG11 VAL 79 -1.693 6.045 -0.640 620 HG12 VAL 79 HG12 VAL 79 -1.689 5.903 -2.403 621 HG13 VAL 79 HG13 VAL 79 -0.734 7.161 -1.605 622 HG21 VAL 79 HG21 VAL 79 0.384 5.139 -3.552 623 HG22 VAL 79 HG22 VAL 79 1.746 4.559 -2.598 624 HG23 VAL 79 HG23 VAL 79 1.424 6.294 -2.705 625 H GLU 80 H GLU 80 0.284 3.300 0.735 626 HA GLU 80 HA GLU 80 -2.017 3.795 2.201 627 HB2 GLU 80 HB2 GLU 80 -1.416 1.572 1.505 628 HB3 GLU 80 HB1 GLU 80 0.045 1.618 2.475 629 HG2 GLU 80 HG2 GLU 80 -1.256 1.626 4.502 630 HG3 GLU 80 HG1 GLU 80 -2.750 1.704 3.575 631 H GLN 81 H GLN 81 1.269 3.302 3.494 632 HA GLN 81 HA GLN 81 0.446 3.888 6.120 633 HB2 GLN 81 HB2 GLN 81 2.840 3.846 6.708 634 HB3 GLN 81 HB1 GLN 81 2.374 2.468 5.724 635 HG2 GLN 81 HG2 GLN 81 3.262 3.754 3.742 636 HG3 GLN 81 HG1 GLN 81 3.947 4.886 4.905 637 HE21 GLN 81 HE21 GLN 81 4.024 1.717 3.654 638 HE22 GLN 81 HE22 GLN 81 5.568 1.244 4.292 639 H ALA 82 H ALA 82 1.604 5.912 3.553 640 HA ALA 82 HA ALA 82 2.224 8.119 5.247 641 HB1 ALA 82 HB1 ALA 82 3.285 7.864 3.062 642 HB2 ALA 82 HB2 ALA 82 2.396 9.392 3.150 643 HB3 ALA 82 HB3 ALA 82 1.717 8.022 2.276 644 H GLN 83 H GLN 83 -0.584 7.127 3.374 645 HA GLN 83 HA GLN 83 -1.890 9.607 3.960 646 HB2 GLN 83 HB2 GLN 83 -3.868 8.706 2.839 647 HB3 GLN 83 HB1 GLN 83 -2.433 8.452 1.866 648 HG2 GLN 83 HG2 GLN 83 -2.372 6.107 2.664 649 HG3 GLN 83 HG1 GLN 83 -3.887 6.395 3.508 650 HE21 GLN 83 HE21 GLN 83 -4.994 4.865 2.270 651 HE22 GLN 83 HE22 GLN 83 -5.385 5.134 0.621 652 H LYS 84 H LYS 84 -1.907 6.381 5.307 653 HA LYS 84 HA LYS 84 -4.152 6.858 6.981 654 HB2 LYS 84 HB2 LYS 84 -3.656 4.704 7.993 655 HB3 LYS 84 HB1 LYS 84 -3.448 4.593 6.256 656 HG2 LYS 84 HG2 LYS 84 -1.601 3.458 6.896 657 HG3 LYS 84 HG1 LYS 84 -0.950 5.100 6.873 658 HD2 LYS 84 HD2 LYS 84 -0.201 4.210 8.877 659 HD3 LYS 84 HD1 LYS 84 -1.598 5.217 9.289 660 HE2 LYS 84 HE2 LYS 84 -3.042 3.185 9.285 661 HE3 LYS 84 HE1 LYS 84 -1.618 2.208 8.970 662 HZ1 LYS 84 HZ1 LYS 84 -2.127 3.822 11.401 663 HZ2 LYS 84 HZ2 LYS 84 -0.712 2.945 11.107 664 HZ3 LYS 84 HZ3 LYS 84 -2.180 2.148 11.279 665 H GLN 85 H GLN 85 -0.762 7.556 7.268 666 HA GLN 85 HA GLN 85 -0.930 7.899 10.103 667 HB2 GLN 85 HB2 GLN 85 1.354 8.496 10.095 668 HB3 GLN 85 HB1 GLN 85 1.177 7.384 8.729 669 HG2 GLN 85 HG2 GLN 85 1.382 9.088 7.164 670 HG3 GLN 85 HG1 GLN 85 1.118 10.340 8.376 671 HE21 GLN 85 HE21 GLN 85 3.351 10.156 6.557 672 HE22 GLN 85 HE22 GLN 85 4.747 10.021 7.541 673 H LEU 86 H LEU 86 -1.374 9.919 7.334 674 HA LEU 86 HA LEU 86 -1.471 12.305 8.944 675 HB2 LEU 86 HB2 LEU 86 -1.338 11.696 6.088 676 HB3 LEU 86 HB1 LEU 86 -2.379 13.053 6.418 677 HG LEU 86 HG LEU 86 -0.109 13.743 5.854 678 HD11 LEU 86 HD11 LEU 86 -1.545 15.066 7.374 679 HD12 LEU 86 HD12 LEU 86 0.180 15.325 7.585 680 HD13 LEU 86 HD13 LEU 86 -0.710 14.329 8.747 681 HD21 LEU 86 HD21 LEU 86 1.123 11.843 6.756 682 HD22 LEU 86 HD22 LEU 86 0.661 12.317 8.387 683 HD23 LEU 86 HD23 LEU 86 1.721 13.357 7.441 684 H GLN 87 H GLN 87 -3.744 10.221 7.270 685 HA GLN 87 HA GLN 87 -6.047 11.772 7.481 686 HB2 GLN 87 HB2 GLN 87 -5.795 9.796 6.046 687 HB3 GLN 87 HB1 GLN 87 -5.775 8.767 7.467 688 HG2 GLN 87 HG2 GLN 87 -8.038 9.392 7.982 689 HG3 GLN 87 HG1 GLN 87 -8.082 10.487 6.597 690 HE21 GLN 87 HE21 GLN 87 -8.074 9.596 4.524 691 HE22 GLN 87 HE22 GLN 87 -8.570 7.962 4.238 692 H GLN 88 H GLN 88 -4.525 9.681 9.794 693 HA GLN 88 HA GLN 88 -6.753 9.564 11.602 694 HB2 GLN 88 HB2 GLN 88 -5.227 8.459 13.132 695 HB3 GLN 88 HB1 GLN 88 -5.076 7.805 11.502 696 HG2 GLN 88 HG2 GLN 88 -3.050 9.057 11.137 697 HG3 GLN 88 HG1 GLN 88 -3.211 9.828 12.712 698 HE21 GLN 88 HE21 GLN 88 -2.460 6.908 11.032 699 HE22 GLN 88 HE22 GLN 88 -1.707 6.112 12.380 700 H GLY 89 H GLY 89 -4.494 11.963 10.927 701 HA2 GLY 89 HA2 GLY 89 -4.950 13.148 13.589 702 HA3 GLY 89 HA1 GLY 89 -3.359 13.176 12.855 703 H GLN 90 H GLN 90 -2.881 14.678 11.365 704 HA GLN 90 HA GLN 90 -4.332 17.128 11.564 705 HB2 GLN 90 HB2 GLN 90 -1.992 16.416 9.812 706 HB3 GLN 90 HB1 GLN 90 -2.593 18.037 10.107 707 HG2 GLN 90 HG2 GLN 90 -2.034 17.803 12.472 708 HG3 GLN 90 HG1 GLN 90 -1.421 16.180 12.155 709 HE21 GLN 90 HE21 GLN 90 0.521 15.943 11.035 710 HE22 GLN 90 HE22 GLN 90 1.599 17.258 10.780 711 H GLY 91 H GLY 91 -4.377 14.593 9.276 712 HA2 GLY 91 HA2 GLY 91 -6.112 14.531 7.577 713 HA3 GLY 91 HA1 GLY 91 -5.963 16.292 7.471 714 H GLY 92 H GLY 92 -4.267 17.209 6.307 715 HA2 GLY 92 HA2 GLY 92 -2.331 17.293 5.223 716 HA3 GLY 92 HA1 GLY 92 -2.006 15.608 5.615 717 H GLN 93 H GLN 93 -4.220 14.520 4.450 718 HA GLN 93 HA GLN 93 -3.304 13.896 1.967 719 HB2 GLN 93 HB2 GLN 93 -6.067 13.825 3.037 720 HB3 GLN 93 HB1 GLN 93 -5.618 13.037 1.512 721 HG2 GLN 93 HG2 GLN 93 -3.952 11.724 2.848 722 HG3 GLN 93 HG1 GLN 93 -4.641 12.449 4.299 723 HE21 GLN 93 HE21 GLN 93 -5.156 10.284 1.683 724 HE22 GLN 93 HE22 GLN 93 -6.565 9.517 2.308 725 H GLN 94 H GLN 94 -5.279 16.653 2.702 726 HA GLN 94 HA GLN 94 -5.960 17.231 -0.017 727 HB2 GLN 94 HB2 GLN 94 -6.486 19.535 0.847 728 HB3 GLN 94 HB1 GLN 94 -7.326 18.230 1.675 729 HG2 GLN 94 HG2 GLN 94 -5.865 18.378 3.544 730 HG3 GLN 94 HG1 GLN 94 -4.794 19.453 2.664 731 HE21 GLN 94 HE21 GLN 94 -7.918 19.215 4.236 732 HE22 GLN 94 HE22 GLN 94 -8.161 20.916 4.405 733 H GLN 95 H GLN 95 -3.401 18.351 2.141 734 HA GLN 95 HA GLN 95 -2.251 20.069 0.127 735 HB2 GLN 95 HB2 GLN 95 -0.658 20.730 1.937 736 HB3 GLN 95 HB1 GLN 95 -2.365 20.850 2.447 737 HG2 GLN 95 HG2 GLN 95 -2.188 18.883 3.667 738 HG3 GLN 95 HG1 GLN 95 -0.537 18.619 3.110 739 HE21 GLN 95 HE21 GLN 95 -1.623 18.975 5.835 740 HE22 GLN 95 HE22 GLN 95 -0.698 20.258 6.508 741 H VAL 96 H VAL 96 -1.403 17.277 1.980 742 HA VAL 96 HA VAL 96 1.134 16.637 0.990 743 HB VAL 96 HB VAL 96 -0.996 14.849 2.236 744 HG11 VAL 96 HG11 VAL 96 1.892 14.217 1.727 745 HG12 VAL 96 HG12 VAL 96 0.476 13.389 1.061 746 HG13 VAL 96 HG13 VAL 96 0.809 13.324 2.798 747 HG21 VAL 96 HG21 VAL 96 1.455 16.111 3.452 748 HG22 VAL 96 HG22 VAL 96 0.289 15.052 4.268 749 HG23 VAL 96 HG23 VAL 96 -0.217 16.629 3.684 750 H GLN 97 H GLN 97 -1.968 16.268 -0.366 751 HA GLN 97 HA GLN 97 -1.825 14.106 -2.046 752 HB2 GLN 97 HB2 GLN 97 -3.786 15.539 -1.879 753 HB3 GLN 97 HB1 GLN 97 -2.928 16.807 -2.749 754 HG2 GLN 97 HG2 GLN 97 -2.790 15.413 -4.713 755 HG3 GLN 97 HG1 GLN 97 -3.587 14.093 -3.875 756 HE21 GLN 97 HE21 GLN 97 -5.461 15.961 -2.524 757 HE22 GLN 97 HE22 GLN 97 -6.578 16.437 -3.743 758 H GLN 98 H GLN 98 -0.382 17.310 -2.684 759 HA GLN 98 HA GLN 98 0.424 16.672 -5.329 760 HB2 GLN 98 HB2 GLN 98 1.787 18.686 -5.267 761 HB3 GLN 98 HB1 GLN 98 0.179 18.990 -4.626 762 HG2 GLN 98 HG2 GLN 98 0.973 18.969 -2.406 763 HG3 GLN 98 HG1 GLN 98 2.575 18.442 -2.907 764 HE21 GLN 98 HE21 GLN 98 2.656 20.273 -5.225 765 HE22 GLN 98 HE22 GLN 98 2.912 21.831 -4.548 766 H MET 99 H MET 99 1.723 15.806 -2.308 767 HA MET 99 HA MET 99 4.389 15.442 -3.440 768 HB2 MET 99 HB2 MET 99 3.641 16.449 -1.028 769 HB3 MET 99 HB1 MET 99 3.823 14.773 -0.632 770 HG2 MET 99 HG2 MET 99 5.857 15.878 -0.138 771 HG3 MET 99 HG1 MET 99 6.074 14.718 -1.450 772 HE1 MET 99 HE1 MET 99 8.639 17.643 -2.156 773 HE2 MET 99 HE2 MET 99 8.454 15.927 -1.780 774 HE3 MET 99 HE3 MET 99 8.074 17.142 -0.561 775 H VAL 100 H VAL 100 1.886 13.746 -1.669 776 HA VAL 100 HA VAL 100 3.163 11.245 -1.891 777 HB VAL 100 HB VAL 100 1.445 11.584 -0.179 778 HG11 VAL 100 HG11 VAL 100 -0.050 13.002 -1.362 779 HG12 VAL 100 HG12 VAL 100 -0.932 11.605 -0.729 780 HG13 VAL 100 HG13 VAL 100 -0.514 11.694 -2.450 781 HG21 VAL 100 HG21 VAL 100 1.897 9.309 -0.804 782 HG22 VAL 100 HG22 VAL 100 0.775 9.432 -2.152 783 HG23 VAL 100 HG23 VAL 100 0.158 9.474 -0.491 784 H LYS 101 H LYS 101 1.133 12.990 -4.139 785 HA LYS 101 HA LYS 101 0.546 10.839 -5.810 786 HB2 LYS 101 HB2 LYS 101 0.003 12.466 -7.519 787 HB3 LYS 101 HB1 LYS 101 -0.508 13.047 -5.935 788 HG2 LYS 101 HG2 LYS 101 0.305 14.955 -6.884 789 HG3 LYS 101 HG1 LYS 101 1.692 14.357 -5.978 790 HD2 LYS 101 HD2 LYS 101 2.667 13.445 -8.013 791 HD3 LYS 101 HD1 LYS 101 1.244 13.929 -8.939 792 HE2 LYS 101 HE2 LYS 101 1.711 16.284 -8.337 793 HE3 LYS 101 HE1 LYS 101 3.182 15.754 -7.529 794 HZ1 LYS 101 HZ1 LYS 101 2.592 15.398 -10.415 795 HZ2 LYS 101 HZ2 LYS 101 4.018 14.947 -9.655 796 HZ3 LYS 101 HZ3 LYS 101 3.605 16.571 -9.769 797 H LYS 102 H LYS 102 3.511 12.502 -5.293 798 HA LYS 102 HA LYS 102 4.862 11.903 -7.694 799 HB2 LYS 102 HB2 LYS 102 5.867 12.318 -4.889 800 HB3 LYS 102 HB1 LYS 102 6.893 12.231 -6.313 801 HG2 LYS 102 HG2 LYS 102 6.104 14.279 -7.142 802 HG3 LYS 102 HG1 LYS 102 4.686 14.250 -6.093 803 HD2 LYS 102 HD2 LYS 102 6.372 15.861 -5.301 804 HD3 LYS 102 HD1 LYS 102 6.081 14.569 -4.141 805 HE2 LYS 102 HE2 LYS 102 8.383 14.994 -4.221 806 HE3 LYS 102 HE1 LYS 102 8.115 13.430 -4.954 807 HZ1 LYS 102 HZ1 LYS 102 8.590 15.991 -6.380 808 HZ2 LYS 102 HZ2 LYS 102 8.251 14.557 -7.172 809 HZ3 LYS 102 HZ3 LYS 102 9.686 14.722 -6.311 810 H ALA 103 H ALA 103 4.154 10.085 -4.804 811 HA ALA 103 HA ALA 103 6.042 8.022 -4.979 812 HB1 ALA 103 HB1 ALA 103 4.495 6.668 -3.652 813 HB2 ALA 103 HB2 ALA 103 3.198 7.814 -3.987 814 HB3 ALA 103 HB3 ALA 103 4.588 8.314 -3.027 815 H GLN 104 H GLN 104 3.112 8.594 -6.697 816 HA GLN 104 HA GLN 104 2.703 5.991 -7.804 817 HB2 GLN 104 HB2 GLN 104 1.829 8.649 -8.901 818 HB3 GLN 104 HB1 GLN 104 1.118 7.085 -9.248 819 HG2 GLN 104 HG2 GLN 104 0.462 6.952 -6.809 820 HG3 GLN 104 HG1 GLN 104 1.057 8.593 -6.649 821 HE21 GLN 104 HE21 GLN 104 0.015 10.247 -7.712 822 HE22 GLN 104 HE22 GLN 104 -1.631 10.116 -8.226 823 H MET 105 H MET 105 4.911 8.500 -8.498 824 HA MET 105 HA MET 105 5.266 7.732 -11.295 825 HB2 MET 105 HB2 MET 105 6.943 9.630 -9.742 826 HB3 MET 105 HB1 MET 105 6.706 9.579 -11.473 827 HG2 MET 105 HG2 MET 105 4.365 10.249 -11.194 828 HG3 MET 105 HG1 MET 105 4.612 10.382 -9.464 829 HE1 MET 105 HE1 MET 105 6.594 13.152 -12.576 830 HE2 MET 105 HE2 MET 105 5.424 11.894 -12.974 831 HE3 MET 105 HE3 MET 105 7.035 11.455 -12.403 832 H LEU 106 H LEU 106 6.419 6.972 -8.232 833 HA LEU 106 HA LEU 106 9.124 6.491 -8.622 834 HB2 LEU 106 HB2 LEU 106 7.132 5.428 -6.691 835 HB3 LEU 106 HB1 LEU 106 8.645 4.577 -6.843 836 HG LEU 106 HG LEU 106 9.901 6.422 -6.058 837 HD11 LEU 106 HD11 LEU 106 8.842 8.596 -5.457 838 HD12 LEU 106 HD12 LEU 106 7.392 8.072 -6.341 839 HD13 LEU 106 HD13 LEU 106 8.917 8.267 -7.180 840 HD21 LEU 106 HD21 LEU 106 7.377 6.181 -4.445 841 HD22 LEU 106 HD22 LEU 106 8.908 6.841 -3.868 842 HD23 LEU 106 HD23 LEU 106 8.803 5.147 -4.340 843 HA PRO 107 HA PRO 107 8.166 1.972 -10.051 844 HB2 PRO 107 HB2 PRO 107 5.798 1.693 -11.412 845 HB3 PRO 107 HB1 PRO 107 6.027 1.219 -9.725 846 HG2 PRO 107 HG2 PRO 107 4.839 3.719 -10.846 847 HG3 PRO 107 HG1 PRO 107 4.286 2.731 -9.481 848 HD2 PRO 107 HD2 PRO 107 5.627 5.005 -9.085 849 HD3 PRO 107 HD1 PRO 107 5.902 3.592 -8.048 850 H ASN 108 H ASN 108 7.246 4.941 -11.718 851 HA ASN 108 HA ASN 108 7.816 3.831 -14.263 852 HB2 ASN 108 HB2 ASN 108 7.344 6.669 -13.372 853 HB3 ASN 108 HB1 ASN 108 7.295 6.044 -15.008 854 HD21 ASN 108 HD21 ASN 108 5.259 7.480 -13.583 855 HD22 ASN 108 HD22 ASN 108 3.857 6.480 -13.493 856 H GLN 109 H GLN 109 9.219 5.978 -11.879 857 HA GLN 109 HA GLN 109 11.511 6.714 -13.439 858 HB2 GLN 109 HB2 GLN 109 10.974 6.998 -10.488 859 HB3 GLN 109 HB1 GLN 109 12.320 7.733 -11.339 860 HG2 GLN 109 HG2 GLN 109 10.793 9.083 -12.647 861 HG3 GLN 109 HG1 GLN 109 9.416 8.282 -11.892 862 HE21 GLN 109 HE21 GLN 109 8.931 8.733 -9.777 863 HE22 GLN 109 HE22 GLN 109 9.525 10.130 -8.966 864 H CYS 110 H CYS 110 10.925 4.425 -10.827 865 HA CYS 110 HA CYS 110 13.725 3.731 -10.593 866 HB2 CYS 110 HB2 CYS 110 11.934 3.878 -8.717 867 HB3 CYS 110 HB1 CYS 110 11.388 2.351 -9.314 868 H ASN 111 H ASN 111 11.373 2.942 -12.732 869 HA ASN 111 HA ASN 111 10.976 1.352 -14.243 870 HB2 ASN 111 HB2 ASN 111 13.439 1.666 -14.753 871 HB3 ASN 111 HB1 ASN 111 13.765 0.300 -13.695 872 HD21 ASN 111 HD21 ASN 111 12.369 1.286 -16.718 873 HD22 ASN 111 HD22 ASN 111 12.333 -0.272 -17.452 874 H LEU 112 H LEU 112 9.665 0.835 -12.361 875 HA LEU 112 HA LEU 112 10.225 -1.840 -11.375 876 HB2 LEU 112 HB2 LEU 112 7.944 -0.023 -10.625 877 HB3 LEU 112 HB1 LEU 112 8.441 -1.494 -9.807 878 HG LEU 112 HG LEU 112 9.957 1.090 -9.944 879 HD11 LEU 112 HD11 LEU 112 8.771 -0.376 -7.598 880 HD12 LEU 112 HD12 LEU 112 8.177 1.137 -8.283 881 HD13 LEU 112 HD13 LEU 112 9.751 1.077 -7.506 882 HD21 LEU 112 HD21 LEU 112 10.824 -1.569 -8.831 883 HD22 LEU 112 HD22 LEU 112 11.647 -0.036 -8.527 884 HD23 LEU 112 HD23 LEU 112 11.546 -0.669 -10.161 885 H GLN 113 H GLN 113 8.520 -3.403 -11.414 886 HA GLN 113 HA GLN 113 7.576 -3.677 -14.109 887 HB2 GLN 113 HB2 GLN 113 7.484 -5.519 -11.727 888 HB3 GLN 113 HB1 GLN 113 7.147 -5.990 -13.400 889 HG2 GLN 113 HG2 GLN 113 9.358 -5.377 -14.068 890 HG3 GLN 113 HG1 GLN 113 9.649 -4.729 -12.460 891 HE21 GLN 113 HE21 GLN 113 11.464 -5.990 -12.313 892 HE22 GLN 113 HE22 GLN 113 11.429 -7.687 -12.010 893 H CYS 114 H CYS 114 6.310 -1.706 -13.004 894 HA CYS 114 HA CYS 114 3.529 -2.284 -13.139 895 HB2 CYS 114 HB2 CYS 114 4.973 -1.428 -10.710 896 HB3 CYS 114 HB1 CYS 114 3.236 -1.053 -10.844 897 H SER 115 H SER 115 2.544 -0.164 -13.612 898 HA SER 115 HA SER 115 4.305 2.119 -13.418 899 HB2 SER 115 HB2 SER 115 2.973 1.266 -16.006 900 HB3 SER 115 HB1 SER 115 3.835 2.787 -15.754 901 HG SER 115 HG SER 115 5.431 0.952 -14.912 902 H ILE 116 H ILE 116 3.239 4.003 -13.096 903 HA ILE 116 HA ILE 116 0.332 3.796 -12.922 904 HB ILE 116 HB ILE 116 2.096 5.383 -11.013 905 HG12 ILE 116 HG12 ILE 116 0.558 2.847 -10.462 906 HG13 ILE 116 HG11 ILE 116 2.300 2.890 -10.714 907 HG21 ILE 116 HG21 ILE 116 -0.048 5.574 -9.732 908 HG22 ILE 116 HG22 ILE 116 -0.865 4.798 -11.086 909 HG23 ILE 116 HG23 ILE 116 -0.091 6.365 -11.310 910 HD11 ILE 116 HD11 ILE 116 1.671 2.722 -8.368 911 HD12 ILE 116 HD12 ILE 116 0.796 4.256 -8.483 912 HD13 ILE 116 HD13 ILE 116 2.550 4.206 -8.709 Start of MODEL 13 1 H1 GLY 1 H GLY 1 6.887 -14.350 8.117 2 H2 GLY 1 HT1 GLY 1 5.547 -13.694 9.163 3 H3 GLY 1 HT2 GLY 1 6.404 -14.611 8.047 4 HA2 GLY 1 HA1 GLY 1 5.676 -15.943 9.895 5 HA3 GLY 1 HA2 GLY 1 7.431 -15.857 9.821 6 H ARG 2 H ARG 2 4.611 -15.114 11.628 7 HA ARG 2 HA ARG 2 5.954 -13.445 13.543 8 HB2 ARG 2 HB2 ARG 2 3.340 -14.936 13.788 9 HB3 ARG 2 HB1 ARG 2 3.942 -13.722 14.908 10 HG2 ARG 2 HG2 ARG 2 3.283 -13.273 12.030 11 HG3 ARG 2 HG1 ARG 2 2.255 -12.822 13.411 12 HD2 ARG 2 HD2 ARG 2 4.019 -11.319 14.193 13 HD3 ARG 2 HD1 ARG 2 5.030 -11.807 12.833 14 HE ARG 2 HE ARG 2 2.538 -10.820 11.971 15 HH11 ARG 2 HH11 ARG 2 5.681 -9.750 13.231 16 HH12 ARG 2 HH12 ARG 2 5.654 -8.262 12.407 17 HH21 ARG 2 HH21 ARG 2 2.522 -8.773 10.834 18 HH22 ARG 2 HH22 ARG 2 3.824 -7.693 11.038 19 H CYS 3 H CYS 3 7.036 -14.015 15.179 20 HA CYS 3 HA CYS 3 7.006 -16.806 16.077 21 HB2 CYS 3 HB2 CYS 3 9.489 -15.269 15.359 22 HB3 CYS 3 HB1 CYS 3 9.452 -16.869 16.074 23 H THR 4 H THR 4 7.724 -17.085 18.196 24 HA THR 4 HA THR 4 7.439 -14.782 19.878 25 HB THR 4 HB THR 4 7.710 -16.392 21.712 26 HG1 THR 4 HG1 THR 4 8.312 -18.388 21.389 27 HG21 THR 4 HG21 THR 4 5.757 -17.819 21.231 28 HG22 THR 4 HG22 THR 4 5.880 -17.395 19.525 29 HG23 THR 4 HG23 THR 4 5.485 -16.152 20.716 30 H LYS 5 H LYS 5 9.106 -14.568 21.743 31 HA LYS 5 HA LYS 5 11.748 -14.591 20.578 32 HB2 LYS 5 HB2 LYS 5 10.799 -13.269 23.114 33 HB3 LYS 5 HB1 LYS 5 12.367 -13.056 22.356 34 HG2 LYS 5 HG2 LYS 5 9.700 -12.186 21.267 35 HG3 LYS 5 HG1 LYS 5 10.966 -11.147 21.910 36 HD2 LYS 5 HD2 LYS 5 11.137 -12.859 19.429 37 HD3 LYS 5 HD1 LYS 5 10.909 -11.118 19.477 38 HE2 LYS 5 HE2 LYS 5 13.339 -12.655 20.425 39 HE3 LYS 5 HE1 LYS 5 13.234 -11.679 18.969 40 HZ1 LYS 5 HZ1 LYS 5 14.353 -10.539 20.786 41 HZ2 LYS 5 HZ2 LYS 5 12.978 -10.617 21.738 42 HZ3 LYS 5 HZ3 LYS 5 12.974 -9.706 20.318 43 H SER 6 H SER 6 11.945 -16.791 20.783 44 HA SER 6 HA SER 6 13.294 -17.531 23.195 45 HB2 SER 6 HB2 SER 6 10.918 -18.237 23.610 46 HB3 SER 6 HB1 SER 6 10.984 -19.229 22.151 47 HG SER 6 HG SER 6 12.573 -19.486 24.490 48 H ILE 7 H ILE 7 14.440 -19.620 22.712 49 HA ILE 7 HA ILE 7 14.755 -20.080 19.833 50 HB ILE 7 HB ILE 7 17.016 -19.828 21.845 51 HG12 ILE 7 HG12 ILE 7 16.189 -17.662 20.980 52 HG13 ILE 7 HG11 ILE 7 17.837 -17.981 20.459 53 HG21 ILE 7 HG21 ILE 7 18.557 -20.348 20.008 54 HG22 ILE 7 HG22 ILE 7 17.175 -20.663 18.958 55 HG23 ILE 7 HG23 ILE 7 17.464 -21.690 20.360 56 HD11 ILE 7 HD11 ILE 7 16.961 -18.668 18.255 57 HD12 ILE 7 HD12 ILE 7 16.566 -17.002 18.666 58 HD13 ILE 7 HD13 ILE 7 15.334 -18.255 18.800 59 HA PRO 8 HA PRO 8 14.697 -21.528 18.439 60 HB2 PRO 8 HB2 PRO 8 12.712 -23.667 18.163 61 HB3 PRO 8 HB1 PRO 8 14.203 -23.393 17.252 62 HG2 PRO 8 HG2 PRO 8 13.960 -25.448 18.978 63 HG3 PRO 8 HG1 PRO 8 15.492 -24.593 18.743 64 HD2 PRO 8 HD2 PRO 8 13.467 -24.245 20.926 65 HD3 PRO 8 HD1 PRO 8 15.236 -24.377 21.042 66 HA PRO 9 HA PRO 9 11.095 -19.163 19.336 67 HB2 PRO 9 HB2 PRO 9 10.511 -18.235 16.881 68 HB3 PRO 9 HB1 PRO 9 11.910 -17.647 17.796 69 HG2 PRO 9 HG2 PRO 9 11.771 -19.715 15.639 70 HG3 PRO 9 HG1 PRO 9 12.938 -18.382 15.816 71 HD2 PRO 9 HD2 PRO 9 13.525 -20.905 16.539 72 HD3 PRO 9 HD1 PRO 9 14.134 -19.510 17.455 73 H ILE 10 H ILE 10 8.850 -19.202 19.161 74 HA ILE 10 HA ILE 10 7.753 -21.563 17.855 75 HB ILE 10 HB ILE 10 6.430 -19.566 19.726 76 HG12 ILE 10 HG12 ILE 10 8.219 -20.693 20.919 77 HG13 ILE 10 HG11 ILE 10 6.669 -21.292 21.495 78 HG21 ILE 10 HG21 ILE 10 5.516 -22.298 18.834 79 HG22 ILE 10 HG22 ILE 10 4.834 -20.756 18.324 80 HG23 ILE 10 HG23 ILE 10 4.689 -21.270 20.005 81 HD11 ILE 10 HD11 ILE 10 6.963 -23.299 20.106 82 HD12 ILE 10 HD12 ILE 10 8.269 -23.095 21.279 83 HD13 ILE 10 HD13 ILE 10 8.532 -22.682 19.581 84 H CYS 11 H CYS 11 7.270 -21.158 15.799 85 HA CYS 11 HA CYS 11 6.396 -18.471 15.132 86 HB2 CYS 11 HB2 CYS 11 7.560 -20.598 13.346 87 HB3 CYS 11 HB1 CYS 11 7.058 -18.986 12.843 88 H PHE 12 H PHE 12 4.645 -18.051 14.190 89 HA PHE 12 HA PHE 12 2.502 -19.962 14.176 90 HB2 PHE 12 HB2 PHE 12 2.741 -17.014 13.610 91 HB3 PHE 12 HB1 PHE 12 1.231 -17.876 13.364 92 HD1 PHE 12 HD1 PHE 12 0.046 -18.828 15.214 93 HD2 PHE 12 HD2 PHE 12 3.551 -16.513 15.822 94 HE1 PHE 12 HE1 PHE 12 -0.544 -18.610 17.539 95 HE2 PHE 12 HE2 PHE 12 2.978 -16.263 18.204 96 HZ PHE 12 HZ PHE 12 0.923 -17.309 19.085 97 HA PRO 13 HA PRO 13 2.628 -20.800 9.782 98 HB2 PRO 13 HB2 PRO 13 0.017 -21.117 9.159 99 HB3 PRO 13 HB1 PRO 13 0.875 -22.273 10.180 100 HG2 PRO 13 HG2 PRO 13 -1.009 -20.094 10.954 101 HG3 PRO 13 HG1 PRO 13 -0.856 -21.732 11.608 102 HD2 PRO 13 HD2 PRO 13 0.166 -19.475 12.778 103 HD3 PRO 13 HD1 PRO 13 0.789 -21.083 13.098 104 H ASP 14 H ASP 14 2.845 -18.148 10.398 105 HA ASP 14 HA ASP 14 1.044 -16.529 8.871 106 HB2 ASP 14 HB2 ASP 14 1.859 -15.537 10.871 107 HB3 ASP 14 HB1 ASP 14 3.521 -15.905 10.453 108 H GLY 15 H GLY 15 1.350 -17.643 6.978 109 HA2 GLY 15 HA2 GLY 15 3.343 -16.311 5.277 110 HA3 GLY 15 HA1 GLY 15 3.064 -18.060 5.137 111 H LEU 16 H LEU 16 0.780 -15.717 5.989 112 HA LEU 16 HA LEU 16 -0.730 -16.168 3.547 113 HB2 LEU 16 HB2 LEU 16 -2.772 -16.507 5.041 114 HB3 LEU 16 HB1 LEU 16 -1.648 -17.831 4.820 115 HG LEU 16 HG LEU 16 -0.604 -17.124 7.028 116 HD11 LEU 16 HD11 LEU 16 -2.000 -15.928 8.613 117 HD12 LEU 16 HD12 LEU 16 -3.159 -15.590 7.321 118 HD13 LEU 16 HD13 LEU 16 -1.523 -14.936 7.231 119 HD21 LEU 16 HD21 LEU 16 -1.925 -19.112 6.787 120 HD22 LEU 16 HD22 LEU 16 -3.413 -18.191 7.019 121 HD23 LEU 16 HD23 LEU 16 -2.251 -18.348 8.340 122 H ASP 17 H ASP 17 0.327 -13.930 5.862 123 HA ASP 17 HA ASP 17 -1.886 -12.135 5.271 124 HB2 ASP 17 HB2 ASP 17 -1.219 -12.152 7.639 125 HB3 ASP 17 HB1 ASP 17 0.426 -11.715 7.196 126 H ASN 18 H ASN 18 -1.554 -11.769 3.244 127 HA ASN 18 HA ASN 18 0.694 -10.056 2.482 128 HB2 ASN 18 HB2 ASN 18 -0.395 -12.413 0.882 129 HB3 ASN 18 HB1 ASN 18 0.803 -11.258 0.314 130 HD21 ASN 18 HD21 ASN 18 2.926 -11.542 0.894 131 HD22 ASN 18 HD22 ASN 18 3.485 -12.858 1.863 132 HA PRO 19 HA PRO 19 -3.281 -7.929 1.935 133 HB2 PRO 19 HB2 PRO 19 -1.264 -5.861 1.110 134 HB3 PRO 19 HB1 PRO 19 -2.684 -5.679 2.146 135 HG2 PRO 19 HG2 PRO 19 -0.302 -5.801 3.228 136 HG3 PRO 19 HG1 PRO 19 -1.636 -6.719 3.953 137 HD2 PRO 19 HD2 PRO 19 0.608 -7.690 2.223 138 HD3 PRO 19 HD1 PRO 19 -0.110 -8.446 3.668 139 H ARG 20 H ARG 20 -0.625 -7.408 -0.318 140 HA ARG 20 HA ARG 20 -2.545 -7.700 -2.535 141 HB2 ARG 20 HB2 ARG 20 0.280 -6.577 -2.616 142 HB3 ARG 20 HB1 ARG 20 -0.727 -6.818 -4.029 143 HG2 ARG 20 HG2 ARG 20 -0.830 -4.529 -3.494 144 HG3 ARG 20 HG1 ARG 20 -2.367 -5.227 -2.975 145 HD2 ARG 20 HD2 ARG 20 -1.160 -5.583 -0.785 146 HD3 ARG 20 HD1 ARG 20 -0.037 -4.351 -1.330 147 HE ARG 20 HE ARG 20 -2.767 -3.562 -1.686 148 HH11 ARG 20 HH11 ARG 20 -0.097 -3.322 0.681 149 HH12 ARG 20 HH12 ARG 20 -0.958 -2.211 1.657 150 HH21 ARG 20 HH21 ARG 20 -3.849 -2.064 -0.331 151 HH22 ARG 20 HH22 ARG 20 -3.096 -1.487 1.082 152 H GLY 21 H GLY 21 0.673 -8.542 -1.537 153 HA2 GLY 21 HA2 GLY 21 0.423 -11.208 -1.817 154 HA3 GLY 21 HA1 GLY 21 0.996 -10.566 -3.393 155 H CYS 22 H CYS 22 2.540 -8.650 -2.812 156 HA CYS 22 HA CYS 22 4.732 -9.840 -1.441 157 HB2 CYS 22 HB2 CYS 22 4.363 -7.215 -2.851 158 HB3 CYS 22 HB1 CYS 22 5.856 -7.710 -2.066 159 H GLN 23 H GLN 23 5.287 -9.430 0.586 160 HA GLN 23 HA GLN 23 3.813 -7.344 1.988 161 HB2 GLN 23 HB2 GLN 23 4.423 -8.571 4.050 162 HB3 GLN 23 HB1 GLN 23 3.357 -9.486 2.975 163 HG2 GLN 23 HG2 GLN 23 5.305 -10.723 2.170 164 HG3 GLN 23 HG1 GLN 23 6.334 -9.840 3.284 165 HE21 GLN 23 HE21 GLN 23 6.122 -10.229 5.508 166 HE22 GLN 23 HE22 GLN 23 5.421 -11.693 6.091 167 H ILE 24 H ILE 24 5.028 -5.673 1.672 168 HA ILE 24 HA ILE 24 7.903 -5.921 2.117 169 HB ILE 24 HB ILE 24 6.530 -3.426 1.026 170 HG12 ILE 24 HG12 ILE 24 7.558 -4.242 -1.219 171 HG13 ILE 24 HG11 ILE 24 7.567 -5.828 -0.466 172 HG21 ILE 24 HG21 ILE 24 8.722 -2.896 0.153 173 HG22 ILE 24 HG22 ILE 24 9.391 -4.368 0.838 174 HG23 ILE 24 HG23 ILE 24 8.810 -3.083 1.911 175 HD11 ILE 24 HD11 ILE 24 5.151 -4.106 -0.950 176 HD12 ILE 24 HD12 ILE 24 5.149 -5.695 -0.179 177 HD13 ILE 24 HD13 ILE 24 5.630 -5.535 -1.865 178 H ARG 25 H ARG 25 8.829 -5.021 3.868 179 HA ARG 25 HA ARG 25 7.086 -4.311 5.930 180 HB2 ARG 25 HB2 ARG 25 9.079 -3.999 7.300 181 HB3 ARG 25 HB1 ARG 25 9.076 -5.528 6.442 182 HG2 ARG 25 HG2 ARG 25 10.710 -4.410 4.809 183 HG3 ARG 25 HG1 ARG 25 10.773 -3.108 5.990 184 HD2 ARG 25 HD2 ARG 25 11.415 -4.628 7.745 185 HD3 ARG 25 HD1 ARG 25 11.315 -5.988 6.637 186 HE ARG 25 HE ARG 25 13.160 -4.269 5.538 187 HH11 ARG 25 HH11 ARG 25 12.791 -6.017 8.592 188 HH12 ARG 25 HH12 ARG 25 14.459 -6.161 8.867 189 HH21 ARG 25 HH21 ARG 25 15.445 -4.520 5.896 190 HH22 ARG 25 HH22 ARG 25 16.000 -5.292 7.316 191 H ILE 26 H ILE 26 6.178 -2.528 6.339 192 HA ILE 26 HA ILE 26 6.631 -0.272 4.773 193 HB ILE 26 HB ILE 26 5.068 0.923 6.266 194 HG12 ILE 26 HG12 ILE 26 3.671 -0.605 7.833 195 HG13 ILE 26 HG11 ILE 26 5.049 -1.687 7.802 196 HG21 ILE 26 HG21 ILE 26 4.233 -1.745 5.204 197 HG22 ILE 26 HG22 ILE 26 4.279 -0.202 4.334 198 HG23 ILE 26 HG23 ILE 26 3.116 -0.454 5.645 199 HD11 ILE 26 HD11 ILE 26 5.037 -0.320 9.799 200 HD12 ILE 26 HD12 ILE 26 5.037 1.145 8.815 201 HD13 ILE 26 HD13 ILE 26 6.434 0.067 8.792 202 H GLN 27 H GLN 27 8.237 -1.297 7.476 203 HA GLN 27 HA GLN 27 8.934 1.265 8.508 204 HB2 GLN 27 HB2 GLN 27 10.523 0.074 9.932 205 HB3 GLN 27 HB1 GLN 27 8.924 -0.669 9.927 206 HG2 GLN 27 HG2 GLN 27 9.643 -2.510 8.683 207 HG3 GLN 27 HG1 GLN 27 11.115 -1.696 8.173 208 HE21 GLN 27 HE21 GLN 27 10.637 -4.289 9.601 209 HE22 GLN 27 HE22 GLN 27 11.645 -4.154 10.985 210 H GLN 28 H GLN 28 9.990 -0.597 5.839 211 HA GLN 28 HA GLN 28 12.585 0.696 5.819 212 HB2 GLN 28 HB2 GLN 28 13.194 -0.757 4.033 213 HB3 GLN 28 HB1 GLN 28 12.079 -1.695 5.038 214 HG2 GLN 28 HG2 GLN 28 10.365 -1.554 3.543 215 HG3 GLN 28 HG1 GLN 28 11.093 -0.198 2.683 216 HE21 GLN 28 HE21 GLN 28 12.959 -3.021 3.598 217 HE22 GLN 28 HE22 GLN 28 13.096 -3.637 1.998 218 H LEU 29 H LEU 29 9.424 1.212 4.811 219 HA LEU 29 HA LEU 29 10.177 3.059 2.676 220 HB2 LEU 29 HB2 LEU 29 7.490 2.045 3.547 221 HB3 LEU 29 HB1 LEU 29 7.698 3.335 2.392 222 HG LEU 29 HG LEU 29 7.301 1.523 1.062 223 HD11 LEU 29 HD11 LEU 29 9.366 0.951 -0.084 224 HD12 LEU 29 HD12 LEU 29 10.275 1.570 1.307 225 HD13 LEU 29 HD13 LEU 29 9.275 2.664 0.366 226 HD21 LEU 29 HD21 LEU 29 7.238 -0.167 2.722 227 HD22 LEU 29 HD22 LEU 29 8.979 -0.085 2.939 228 HD23 LEU 29 HD23 LEU 29 8.307 -0.728 1.426 229 H ASN 30 H ASN 30 10.122 3.145 5.774 230 HA ASN 30 HA ASN 30 8.453 5.199 6.600 231 HB2 ASN 30 HB2 ASN 30 9.702 3.761 8.156 232 HB3 ASN 30 HB1 ASN 30 11.203 4.534 7.662 233 HD21 ASN 30 HD21 ASN 30 8.231 4.921 9.388 234 HD22 ASN 30 HD22 ASN 30 8.688 6.340 10.263 235 H HIS 31 H HIS 31 11.566 5.399 4.938 236 HA HIS 31 HA HIS 31 11.913 8.194 5.449 237 HB2 HIS 31 HB2 HIS 31 13.748 6.478 4.494 238 HB3 HIS 31 HB1 HIS 31 12.959 6.876 2.992 239 HD1 HIS 31 HD1 HIS 31 15.632 8.123 5.058 240 HD2 HIS 31 HD2 HIS 31 12.857 9.727 2.420 241 HE1 HIS 31 HE1 HIS 31 16.572 10.313 4.295 242 H CYS 32 H CYS 32 10.863 6.298 2.695 243 HA CYS 32 HA CYS 32 10.220 8.281 0.881 244 HB2 CYS 32 HB2 CYS 32 10.255 5.595 0.849 245 HB3 CYS 32 HB1 CYS 32 8.532 5.818 1.089 246 H GLN 33 H GLN 33 8.133 6.577 3.215 247 HA GLN 33 HA GLN 33 5.778 7.900 3.000 248 HB2 GLN 33 HB2 GLN 33 5.909 5.991 4.331 249 HB3 GLN 33 HB1 GLN 33 7.240 6.627 5.270 250 HG2 GLN 33 HG2 GLN 33 5.726 8.414 6.056 251 HG3 GLN 33 HG1 GLN 33 4.369 7.502 5.378 252 HE21 GLN 33 HE21 GLN 33 6.794 7.686 7.865 253 HE22 GLN 33 HE22 GLN 33 6.140 6.436 8.858 254 H MET 34 H MET 34 8.424 8.696 5.321 255 HA MET 34 HA MET 34 6.988 10.883 6.392 256 HB2 MET 34 HB2 MET 34 8.897 11.413 7.711 257 HB3 MET 34 HB1 MET 34 8.775 9.656 7.626 258 HG2 MET 34 HG2 MET 34 10.583 9.589 6.040 259 HG3 MET 34 HG1 MET 34 10.651 11.346 5.991 260 HE1 MET 34 HE1 MET 34 13.216 11.420 6.497 261 HE2 MET 34 HE2 MET 34 13.244 9.658 6.455 262 HE3 MET 34 HE3 MET 34 13.985 10.520 7.803 263 H HIS 35 H HIS 35 9.426 10.649 3.951 264 HA HIS 35 HA HIS 35 9.902 13.454 3.805 265 HB2 HIS 35 HB2 HIS 35 11.335 11.387 2.986 266 HB3 HIS 35 HB1 HIS 35 10.480 11.689 1.479 267 HD1 HIS 35 HD1 HIS 35 10.534 14.849 1.603 268 HD2 HIS 35 HD2 HIS 35 13.742 12.333 2.388 269 HE1 HIS 35 HE1 HIS 35 12.613 16.230 1.211 270 H LEU 36 H LEU 36 7.586 11.318 2.314 271 HA LEU 36 HA LEU 36 6.812 13.344 0.414 272 HB2 LEU 36 HB2 LEU 36 5.629 10.651 1.005 273 HB3 LEU 36 HB1 LEU 36 5.024 11.760 -0.216 274 HG LEU 36 HG LEU 36 7.752 10.479 -0.166 275 HD11 LEU 36 HD11 LEU 36 5.382 9.936 -1.934 276 HD12 LEU 36 HD12 LEU 36 6.011 8.878 -0.669 277 HD13 LEU 36 HD13 LEU 36 6.981 9.211 -2.104 278 HD21 LEU 36 HD21 LEU 36 6.487 12.250 -2.256 279 HD22 LEU 36 HD22 LEU 36 8.001 11.372 -2.451 280 HD23 LEU 36 HD23 LEU 36 7.879 12.648 -1.244 281 H THR 37 H THR 37 5.822 12.301 3.587 282 HA THR 37 HA THR 37 3.343 13.754 3.263 283 HB THR 37 HB THR 37 2.938 13.159 5.613 284 HG1 THR 37 HG1 THR 37 5.011 11.305 5.530 285 HG21 THR 37 HG21 THR 37 3.770 10.913 3.809 286 HG22 THR 37 HG22 THR 37 2.184 11.698 3.833 287 HG23 THR 37 HG23 THR 37 2.726 10.738 5.219 288 H SER 38 H SER 38 6.468 14.332 4.296 289 HA SER 38 HA SER 38 5.766 16.709 5.814 290 HB2 SER 38 HB2 SER 38 8.446 15.483 5.202 291 HB3 SER 38 HB1 SER 38 8.164 16.821 6.336 292 HG SER 38 HG SER 38 7.238 14.169 6.436 293 H PHE 39 H PHE 39 6.589 18.813 5.189 294 HA PHE 39 HA PHE 39 7.329 18.973 2.376 295 HB2 PHE 39 HB2 PHE 39 5.194 20.515 3.801 296 HB3 PHE 39 HB1 PHE 39 5.999 21.172 2.386 297 HD1 PHE 39 HD1 PHE 39 5.936 19.826 0.268 298 HD2 PHE 39 HD2 PHE 39 3.421 19.059 3.601 299 HE1 PHE 39 HE1 PHE 39 4.379 18.636 -1.198 300 HE2 PHE 39 HE2 PHE 39 1.861 17.869 2.155 301 HZ PHE 39 HZ PHE 39 2.340 17.654 -0.266 302 H ASP 40 H ASP 40 7.824 21.407 1.960 303 HA ASP 40 HA ASP 40 9.459 22.515 4.028 304 HB2 ASP 40 HB2 ASP 40 10.709 21.313 2.130 305 HB3 ASP 40 HB1 ASP 40 9.925 22.445 1.032 306 H TYR 41 H TYR 41 9.689 24.905 2.788 307 HA TYR 41 HA TYR 41 7.072 25.655 1.792 308 HB2 TYR 41 HB2 TYR 41 6.427 27.109 3.613 309 HB3 TYR 41 HB1 TYR 41 6.752 25.474 4.200 310 HD1 TYR 41 HD1 TYR 41 8.856 25.017 5.459 311 HD2 TYR 41 HD2 TYR 41 7.655 28.956 4.439 312 HE1 TYR 41 HE1 TYR 41 10.435 25.913 7.096 313 HE2 TYR 41 HE2 TYR 41 9.226 29.865 6.074 314 HH TYR 41 HH TYR 41 10.340 29.203 8.023 315 H LYS 42 H LYS 42 10.247 26.538 2.851 316 HA LYS 42 HA LYS 42 10.008 29.105 1.626 317 HB2 LYS 42 HB2 LYS 42 12.128 29.640 2.586 318 HB3 LYS 42 HB1 LYS 42 11.167 28.773 3.767 319 HG2 LYS 42 HG2 LYS 42 13.390 27.529 2.153 320 HG3 LYS 42 HG1 LYS 42 13.590 28.194 3.765 321 HD2 LYS 42 HD2 LYS 42 11.808 26.474 4.511 322 HD3 LYS 42 HD1 LYS 42 11.982 25.766 2.923 323 HE2 LYS 42 HE2 LYS 42 14.360 25.435 3.253 324 HE3 LYS 42 HE1 LYS 42 14.257 26.201 4.835 325 HZ1 LYS 42 HZ1 LYS 42 12.959 23.687 4.006 326 HZ2 LYS 42 HZ2 LYS 42 12.759 24.406 5.523 327 HZ3 LYS 42 HZ3 LYS 42 14.273 23.826 5.058 328 H LEU 43 H LEU 43 10.304 26.231 0.377 329 HA LEU 43 HA LEU 43 12.369 26.242 -1.413 330 HB2 LEU 43 HB2 LEU 43 9.554 25.245 -1.753 331 HB3 LEU 43 HB1 LEU 43 10.828 24.929 -2.906 332 HG LEU 43 HG LEU 43 10.870 24.047 -0.034 333 HD11 LEU 43 HD11 LEU 43 9.060 22.969 -1.184 334 HD12 LEU 43 HD12 LEU 43 10.375 21.814 -0.959 335 HD13 LEU 43 HD13 LEU 43 10.107 22.550 -2.542 336 HD21 LEU 43 HD21 LEU 43 12.595 23.307 -2.400 337 HD22 LEU 43 HD22 LEU 43 12.670 22.574 -0.798 338 HD23 LEU 43 HD23 LEU 43 13.090 24.271 -1.004 339 H ARG 44 H ARG 44 12.780 28.100 -2.556 340 HA ARG 44 HA ARG 44 10.598 29.596 -3.764 341 HB2 ARG 44 HB2 ARG 44 13.554 30.060 -3.746 342 HB3 ARG 44 HB1 ARG 44 12.383 31.143 -4.488 343 HG2 ARG 44 HG2 ARG 44 11.348 31.528 -2.290 344 HG3 ARG 44 HG1 ARG 44 12.538 30.457 -1.548 345 HD2 ARG 44 HD2 ARG 44 13.173 32.788 -1.245 346 HD3 ARG 44 HD1 ARG 44 14.329 31.955 -2.286 347 HE ARG 44 HE ARG 44 12.174 33.415 -3.562 348 HH11 ARG 44 HH11 ARG 44 15.575 33.399 -2.612 349 HH12 ARG 44 HH12 ARG 44 16.052 34.563 -3.758 350 HH21 ARG 44 HH21 ARG 44 12.829 35.035 -5.132 351 HH22 ARG 44 HH22 ARG 44 14.466 35.533 -5.182 352 H MET 45 H MET 45 13.036 27.364 -4.526 353 HA MET 45 HA MET 45 12.022 27.116 -7.167 354 HB2 MET 45 HB2 MET 45 14.376 27.180 -8.140 355 HB3 MET 45 HB1 MET 45 13.687 28.724 -7.678 356 HG2 MET 45 HG2 MET 45 14.952 28.611 -5.564 357 HG3 MET 45 HG1 MET 45 15.726 27.134 -6.136 358 HE1 MET 45 HE1 MET 45 18.120 28.250 -5.710 359 HE2 MET 45 HE2 MET 45 17.339 29.733 -5.159 360 HE3 MET 45 HE3 MET 45 18.603 29.808 -6.382 361 H ALA 46 H ALA 46 11.258 25.280 -6.409 362 HA ALA 46 HA ALA 46 13.130 23.118 -5.692 363 HB1 ALA 46 HB1 ALA 46 11.166 23.416 -4.264 364 HB2 ALA 46 HB2 ALA 46 11.114 21.853 -5.082 365 HB3 ALA 46 HB3 ALA 46 10.108 23.183 -5.655 366 H VAL 47 H VAL 47 12.683 24.324 -8.380 367 HA VAL 47 HA VAL 47 11.214 22.535 -10.025 368 HB VAL 47 HB VAL 47 13.389 24.481 -10.826 369 HG11 VAL 47 HG11 VAL 47 12.852 22.895 -12.584 370 HG12 VAL 47 HG12 VAL 47 12.282 24.509 -13.011 371 HG13 VAL 47 HG13 VAL 47 11.140 23.291 -12.442 372 HG21 VAL 47 HG21 VAL 47 11.646 25.606 -9.539 373 HG22 VAL 47 HG22 VAL 47 10.412 24.952 -10.618 374 HG23 VAL 47 HG23 VAL 47 11.604 26.097 -11.228 375 H GLU 48 H GLU 48 14.669 23.102 -9.599 376 HA GLU 48 HA GLU 48 15.201 20.339 -10.227 377 HB2 GLU 48 HB2 GLU 48 17.050 21.085 -11.782 378 HB3 GLU 48 HB1 GLU 48 15.411 21.256 -12.391 379 HG2 GLU 48 HG2 GLU 48 15.462 23.641 -11.854 380 HG3 GLU 48 HG1 GLU 48 17.101 23.463 -11.233 381 H ASN 49 H ASN 49 15.824 20.013 -8.174 382 HA ASN 49 HA ASN 49 18.377 21.258 -7.380 383 HB2 ASN 49 HB2 ASN 49 16.156 20.477 -5.405 384 HB3 ASN 49 HB1 ASN 49 17.711 21.152 -5.025 385 HD21 ASN 49 HD21 ASN 49 14.911 22.061 -4.507 386 HD22 ASN 49 HD22 ASN 49 14.911 23.684 -5.121 387 HA PRO 50 HA PRO 50 19.712 16.979 -7.048 388 HB2 PRO 50 HB2 PRO 50 21.172 17.178 -4.672 389 HB3 PRO 50 HB1 PRO 50 21.814 17.539 -6.274 390 HG2 PRO 50 HG2 PRO 50 20.751 19.404 -4.192 391 HG3 PRO 50 HG1 PRO 50 22.143 19.609 -5.274 392 HD2 PRO 50 HD2 PRO 50 19.841 20.859 -5.758 393 HD3 PRO 50 HD1 PRO 50 20.797 20.173 -7.090 394 H LYS 51 H LYS 51 18.528 18.702 -4.305 395 HA LYS 51 HA LYS 51 17.880 16.572 -2.612 396 HB2 LYS 51 HB2 LYS 51 16.861 19.333 -2.764 397 HB3 LYS 51 HB1 LYS 51 16.433 18.218 -1.474 398 HG2 LYS 51 HG2 LYS 51 18.840 17.997 -0.931 399 HG3 LYS 51 HG1 LYS 51 19.186 19.240 -2.138 400 HD2 LYS 51 HD2 LYS 51 17.328 19.578 0.179 401 HD3 LYS 51 HD1 LYS 51 19.021 20.116 0.172 402 HE2 LYS 51 HE2 LYS 51 18.555 21.578 -1.674 403 HE3 LYS 51 HE1 LYS 51 16.920 20.946 -1.782 404 HZ1 LYS 51 HZ1 LYS 51 18.002 22.462 0.558 405 HZ2 LYS 51 HZ2 LYS 51 16.428 21.896 0.396 406 HZ3 LYS 51 HZ3 LYS 51 16.976 23.105 -0.610 407 H GLN 52 H GLN 52 16.287 17.717 -5.406 408 HA GLN 52 HA GLN 52 13.714 16.979 -4.450 409 HB2 GLN 52 HB2 GLN 52 14.490 17.400 -7.328 410 HB3 GLN 52 HB1 GLN 52 12.850 17.285 -6.705 411 HG2 GLN 52 HG2 GLN 52 14.858 19.458 -6.248 412 HG3 GLN 52 HG1 GLN 52 13.327 19.582 -7.081 413 HE21 GLN 52 HE21 GLN 52 11.834 18.070 -4.999 414 HE22 GLN 52 HE22 GLN 52 11.708 19.140 -3.656 415 H GLN 53 H GLN 53 16.326 15.292 -5.919 416 HA GLN 53 HA GLN 53 14.550 12.983 -6.067 417 HB2 GLN 53 HB2 GLN 53 16.057 11.946 -7.683 418 HB3 GLN 53 HB1 GLN 53 15.477 13.494 -8.260 419 HG2 GLN 53 HG2 GLN 53 17.606 14.514 -7.720 420 HG3 GLN 53 HG1 GLN 53 18.181 12.977 -7.068 421 HE21 GLN 53 HE21 GLN 53 17.337 14.710 -9.943 422 HE22 GLN 53 HE22 GLN 53 18.029 13.587 -11.061 423 H GLN 54 H GLN 54 16.305 14.256 -3.881 424 HA GLN 54 HA GLN 54 18.253 12.295 -3.237 425 HB2 GLN 54 HB2 GLN 54 18.340 13.230 -0.992 426 HB3 GLN 54 HB1 GLN 54 18.268 14.536 -2.157 427 HG2 GLN 54 HG2 GLN 54 15.881 14.817 -1.678 428 HG3 GLN 54 HG1 GLN 54 15.954 13.505 -0.527 429 HE21 GLN 54 HE21 GLN 54 15.261 16.306 -0.128 430 HE22 GLN 54 HE22 GLN 54 16.316 16.877 1.107 431 H HIS 55 H HIS 55 14.927 12.720 -2.185 432 HA HIS 55 HA HIS 55 14.885 10.348 -0.692 433 HB2 HIS 55 HB2 HIS 55 12.317 10.614 -0.840 434 HB3 HIS 55 HB1 HIS 55 13.235 11.841 0.010 435 HD1 HIS 55 HD1 HIS 55 11.809 13.878 -0.356 436 HD2 HIS 55 HD2 HIS 55 12.545 11.799 -3.852 437 HE1 HIS 55 HE1 HIS 55 10.841 15.282 -2.220 438 H LEU 56 H LEU 56 14.699 10.905 -3.999 439 HA LEU 56 HA LEU 56 13.398 8.445 -4.698 440 HB2 LEU 56 HB2 LEU 56 13.511 10.130 -6.406 441 HB3 LEU 56 HB1 LEU 56 15.264 10.219 -6.261 442 HG LEU 56 HG LEU 56 15.128 7.695 -6.776 443 HD11 LEU 56 HD11 LEU 56 13.459 7.068 -8.382 444 HD12 LEU 56 HD12 LEU 56 12.561 8.551 -7.981 445 HD13 LEU 56 HD13 LEU 56 12.912 7.337 -6.733 446 HD21 LEU 56 HD21 LEU 56 14.937 9.799 -8.909 447 HD22 LEU 56 HD22 LEU 56 15.450 8.100 -9.121 448 HD23 LEU 56 HD23 LEU 56 16.362 9.161 -8.054 449 H SER 57 H SER 57 16.753 9.619 -4.721 450 HA SER 57 HA SER 57 18.020 7.243 -5.334 451 HB2 SER 57 HB2 SER 57 18.999 9.534 -3.636 452 HB3 SER 57 HB1 SER 57 20.013 8.338 -4.453 453 HG SER 57 HG SER 57 18.840 9.100 -6.410 454 H LEU 58 H LEU 58 16.585 8.282 -2.441 455 HA LEU 58 HA LEU 58 17.875 6.213 -0.864 456 HB2 LEU 58 HB2 LEU 58 15.738 8.175 -0.011 457 HB3 LEU 58 HB1 LEU 58 16.700 7.155 1.048 458 HG LEU 58 HG LEU 58 17.794 9.332 -0.722 459 HD11 LEU 58 HD11 LEU 58 18.230 10.550 1.324 460 HD12 LEU 58 HD12 LEU 58 17.398 9.293 2.243 461 HD13 LEU 58 HD13 LEU 58 16.508 10.267 1.072 462 HD21 LEU 58 HD21 LEU 58 19.862 9.005 0.538 463 HD22 LEU 58 HD22 LEU 58 19.404 7.587 -0.402 464 HD23 LEU 58 HD23 LEU 58 19.136 7.613 1.345 465 H CYS 59 H CYS 59 14.503 7.046 -1.678 466 HA CYS 59 HA CYS 59 13.403 4.694 -0.602 467 HB2 CYS 59 HB2 CYS 59 12.137 6.727 -0.871 468 HB3 CYS 59 HB1 CYS 59 12.311 6.653 -2.609 469 H CYS 60 H CYS 60 14.055 5.634 -4.018 470 HA CYS 60 HA CYS 60 13.131 3.255 -5.248 471 HB2 CYS 60 HB2 CYS 60 13.420 5.303 -6.548 472 HB3 CYS 60 HB1 CYS 60 15.133 5.331 -6.187 473 H ASN 61 H ASN 61 16.088 4.252 -3.922 474 HA ASN 61 HA ASN 61 17.571 1.949 -4.771 475 HB2 ASN 61 HB2 ASN 61 18.658 3.986 -4.199 476 HB3 ASN 61 HB1 ASN 61 18.142 3.858 -2.533 477 HD21 ASN 61 HD21 ASN 61 19.208 2.470 -1.123 478 HD22 ASN 61 HD22 ASN 61 20.640 1.618 -1.530 479 H GLN 62 H GLN 62 15.729 2.709 -1.896 480 HA GLN 62 HA GLN 62 16.587 0.368 -0.539 481 HB2 GLN 62 HB2 GLN 62 15.880 2.384 0.703 482 HB3 GLN 62 HB1 GLN 62 14.268 2.213 0.047 483 HG2 GLN 62 HG2 GLN 62 14.395 1.388 2.347 484 HG3 GLN 62 HG1 GLN 62 13.951 0.115 1.212 485 HE21 GLN 62 HE21 GLN 62 14.660 -1.544 2.449 486 HE22 GLN 62 HE22 GLN 62 16.322 -1.835 2.813 487 H LEU 63 H LEU 63 13.789 1.226 -2.444 488 HA LEU 63 HA LEU 63 12.352 -1.156 -1.877 489 HB2 LEU 63 HB2 LEU 63 10.796 -0.422 -3.547 490 HB3 LEU 63 HB1 LEU 63 11.349 0.982 -2.664 491 HG LEU 63 HG LEU 63 13.024 1.214 -4.637 492 HD11 LEU 63 HD11 LEU 63 12.077 0.597 -6.760 493 HD12 LEU 63 HD12 LEU 63 10.749 -0.232 -5.935 494 HD13 LEU 63 HD13 LEU 63 12.400 -0.827 -5.764 495 HD21 LEU 63 HD21 LEU 63 11.311 2.580 -5.776 496 HD22 LEU 63 HD22 LEU 63 11.557 2.868 -4.041 497 HD23 LEU 63 HD23 LEU 63 10.156 1.937 -4.583 498 H GLN 64 H GLN 64 14.733 -0.261 -4.250 499 HA GLN 64 HA GLN 64 14.252 -2.463 -5.991 500 HB2 GLN 64 HB2 GLN 64 16.157 -1.726 -7.235 501 HB3 GLN 64 HB1 GLN 64 15.391 -0.285 -6.557 502 HG2 GLN 64 HG2 GLN 64 16.942 -0.047 -4.926 503 HG3 GLN 64 HG1 GLN 64 17.696 -1.619 -5.217 504 HE21 GLN 64 HE21 GLN 64 19.071 0.864 -5.177 505 HE22 GLN 64 HE22 GLN 64 19.688 1.167 -6.751 506 H GLU 65 H GLU 65 15.507 -2.354 -2.962 507 HA GLU 65 HA GLU 65 17.423 -4.479 -3.209 508 HB2 GLU 65 HB2 GLU 65 16.129 -3.216 -0.785 509 HB3 GLU 65 HB1 GLU 65 17.459 -4.364 -0.732 510 HG2 GLU 65 HG2 GLU 65 17.599 -1.704 -2.122 511 HG3 GLU 65 HG1 GLU 65 18.101 -1.965 -0.455 512 H VAL 66 H VAL 66 14.106 -4.030 -2.867 513 HA VAL 66 HA VAL 66 13.417 -6.630 -1.729 514 HB VAL 66 HB VAL 66 11.541 -4.643 -3.041 515 HG11 VAL 66 HG11 VAL 66 9.866 -5.557 -1.533 516 HG12 VAL 66 HG12 VAL 66 11.081 -6.608 -0.807 517 HG13 VAL 66 HG13 VAL 66 10.616 -6.842 -2.488 518 HG21 VAL 66 HG21 VAL 66 12.493 -4.578 -0.189 519 HG22 VAL 66 HG22 VAL 66 11.174 -3.612 -0.862 520 HG23 VAL 66 HG23 VAL 66 12.817 -3.382 -1.448 521 H GLU 67 H GLU 67 11.962 -8.026 -2.965 522 HA GLU 67 HA GLU 67 12.976 -8.943 -5.340 523 HB2 GLU 67 HB2 GLU 67 10.265 -9.216 -4.083 524 HB3 GLU 67 HB1 GLU 67 10.762 -10.133 -5.492 525 HG2 GLU 67 HG2 GLU 67 11.088 -11.540 -3.628 526 HG3 GLU 67 HG1 GLU 67 12.654 -10.916 -4.203 527 H LYS 68 H LYS 68 12.392 -8.726 -7.419 528 HA LYS 68 HA LYS 68 11.759 -6.128 -8.227 529 HB2 LYS 68 HB2 LYS 68 11.712 -6.966 -10.533 530 HB3 LYS 68 HB1 LYS 68 13.138 -7.464 -9.651 531 HG2 LYS 68 HG2 LYS 68 12.106 -9.653 -9.295 532 HG3 LYS 68 HG1 LYS 68 10.740 -9.148 -10.304 533 HD2 LYS 68 HD2 LYS 68 12.233 -10.378 -11.702 534 HD3 LYS 68 HD1 LYS 68 12.398 -8.653 -12.065 535 HE2 LYS 68 HE2 LYS 68 14.578 -9.835 -11.958 536 HE3 LYS 68 HE1 LYS 68 14.446 -8.490 -10.838 537 HZ1 LYS 68 HZ1 LYS 68 14.038 -10.076 -9.042 538 HZ2 LYS 68 HZ2 LYS 68 15.473 -10.415 -9.820 539 HZ3 LYS 68 HZ3 LYS 68 14.135 -11.379 -10.111 540 H GLN 69 H GLN 69 9.639 -8.863 -7.898 541 HA GLN 69 HA GLN 69 7.462 -7.508 -9.237 542 HB2 GLN 69 HB2 GLN 69 6.043 -9.349 -8.531 543 HB3 GLN 69 HB1 GLN 69 7.543 -9.971 -9.201 544 HG2 GLN 69 HG2 GLN 69 8.377 -10.479 -6.984 545 HG3 GLN 69 HG1 GLN 69 7.020 -9.654 -6.261 546 HE21 GLN 69 HE21 GLN 69 5.056 -10.617 -6.158 547 HE22 GLN 69 HE22 GLN 69 4.809 -12.288 -6.510 548 H CYS 70 H CYS 70 8.888 -7.186 -6.288 549 HA CYS 70 HA CYS 70 6.433 -6.361 -4.933 550 HB2 CYS 70 HB2 CYS 70 9.081 -7.204 -3.795 551 HB3 CYS 70 HB1 CYS 70 7.638 -6.830 -2.856 552 H GLN 71 H GLN 71 9.240 -5.233 -6.393 553 HA GLN 71 HA GLN 71 9.976 -3.023 -4.789 554 HB2 GLN 71 HB2 GLN 71 10.175 -3.523 -7.745 555 HB3 GLN 71 HB1 GLN 71 10.900 -2.122 -6.950 556 HG2 GLN 71 HG2 GLN 71 12.276 -3.594 -5.608 557 HG3 GLN 71 HG1 GLN 71 11.549 -5.010 -6.360 558 HE21 GLN 71 HE21 GLN 71 12.455 -2.067 -8.053 559 HE22 GLN 71 HE22 GLN 71 13.704 -2.782 -8.996 560 H CYS 72 H CYS 72 7.558 -3.313 -7.333 561 HA CYS 72 HA CYS 72 6.803 -0.561 -7.017 562 HB2 CYS 72 HB2 CYS 72 4.845 -1.336 -8.472 563 HB3 CYS 72 HB1 CYS 72 6.462 -1.313 -9.159 564 H GLU 73 H GLU 73 5.904 -3.555 -5.690 565 HA GLU 73 HA GLU 73 3.403 -2.764 -4.747 566 HB2 GLU 73 HB2 GLU 73 5.270 -4.895 -3.782 567 HB3 GLU 73 HB1 GLU 73 3.604 -4.751 -3.251 568 HG2 GLU 73 HG2 GLU 73 4.526 -5.223 -6.081 569 HG3 GLU 73 HG1 GLU 73 3.831 -6.425 -5.005 570 H ALA 74 H ALA 74 6.682 -2.553 -3.484 571 HA ALA 74 HA ALA 74 6.194 -1.861 -0.866 572 HB1 ALA 74 HB1 ALA 74 8.425 -0.875 -0.911 573 HB2 ALA 74 HB2 ALA 74 8.405 -0.880 -2.675 574 HB3 ALA 74 HB3 ALA 74 8.408 -2.406 -1.789 575 H ILE 75 H ILE 75 5.934 -0.086 -3.815 576 HA ILE 75 HA ILE 75 5.972 2.561 -2.831 577 HB ILE 75 HB ILE 75 4.467 1.552 -5.240 578 HG12 ILE 75 HG12 ILE 75 6.719 0.759 -5.476 579 HG13 ILE 75 HG11 ILE 75 6.495 2.128 -6.558 580 HG21 ILE 75 HG21 ILE 75 3.913 3.776 -4.575 581 HG22 ILE 75 HG22 ILE 75 4.802 3.785 -6.093 582 HG23 ILE 75 HG23 ILE 75 5.613 4.233 -4.593 583 HD11 ILE 75 HD11 ILE 75 8.583 2.292 -5.627 584 HD12 ILE 75 HD12 ILE 75 7.988 1.945 -4.004 585 HD13 ILE 75 HD13 ILE 75 7.623 3.516 -4.765 586 H LYS 76 H LYS 76 3.543 0.075 -3.095 587 HA LYS 76 HA LYS 76 1.291 1.877 -3.040 588 HB2 LYS 76 HB2 LYS 76 1.349 -1.085 -2.417 589 HB3 LYS 76 HB1 LYS 76 -0.046 -0.145 -2.918 590 HG2 LYS 76 HG2 LYS 76 2.378 -0.749 -4.612 591 HG3 LYS 76 HG1 LYS 76 0.813 -1.545 -4.731 592 HD2 LYS 76 HD2 LYS 76 1.261 1.414 -5.169 593 HD3 LYS 76 HD1 LYS 76 1.223 0.225 -6.463 594 HE2 LYS 76 HE2 LYS 76 -1.030 0.787 -4.543 595 HE3 LYS 76 HE1 LYS 76 -0.918 1.402 -6.188 596 HZ1 LYS 76 HZ1 LYS 76 -0.992 -0.875 -7.009 597 HZ2 LYS 76 HZ2 LYS 76 -2.335 -0.550 -6.054 598 HZ3 LYS 76 HZ3 LYS 76 -1.083 -1.484 -5.451 599 H GLN 77 H GLN 77 3.078 -0.122 -1.010 600 HA GLN 77 HA GLN 77 1.676 -0.000 1.421 601 HB2 GLN 77 HB2 GLN 77 4.624 -0.244 0.992 602 HB3 GLN 77 HB1 GLN 77 3.714 -0.826 2.373 603 HG2 GLN 77 HG2 GLN 77 2.955 -1.768 -0.313 604 HG3 GLN 77 HG1 GLN 77 4.348 -2.526 0.372 605 HE21 GLN 77 HE21 GLN 77 3.035 -2.299 3.128 606 HE22 GLN 77 HE22 GLN 77 1.810 -3.499 3.137 607 H VAL 78 H VAL 78 4.223 2.024 -0.045 608 HA VAL 78 HA VAL 78 4.745 3.656 2.126 609 HB VAL 78 HB VAL 78 4.662 4.736 -0.711 610 HG11 VAL 78 HG11 VAL 78 6.373 6.289 0.043 611 HG12 VAL 78 HG12 VAL 78 6.209 5.633 1.677 612 HG13 VAL 78 HG13 VAL 78 4.847 6.440 0.918 613 HG21 VAL 78 HG21 VAL 78 6.975 4.143 -0.984 614 HG22 VAL 78 HG22 VAL 78 6.045 2.682 -0.612 615 HG23 VAL 78 HG23 VAL 78 7.017 3.463 0.634 616 H VAL 79 H VAL 79 2.389 3.871 -0.505 617 HA VAL 79 HA VAL 79 1.434 6.468 0.122 618 HB VAL 79 HB VAL 79 -0.044 4.287 -1.376 619 HG11 VAL 79 HG11 VAL 79 -1.453 6.157 -0.737 620 HG12 VAL 79 HG12 VAL 79 -1.211 6.133 -2.485 621 HG13 VAL 79 HG13 VAL 79 -0.327 7.286 -1.484 622 HG21 VAL 79 HG21 VAL 79 2.127 4.594 -2.391 623 HG22 VAL 79 HG22 VAL 79 1.888 6.342 -2.452 624 HG23 VAL 79 HG23 VAL 79 0.882 5.277 -3.439 625 H GLU 80 H GLU 80 0.348 3.237 0.727 626 HA GLU 80 HA GLU 80 -2.036 3.748 2.047 627 HB2 GLU 80 HB2 GLU 80 -1.462 1.576 1.199 628 HB3 GLU 80 HB1 GLU 80 -0.103 1.463 2.303 629 HG2 GLU 80 HG2 GLU 80 -1.566 1.320 4.178 630 HG3 GLU 80 HG1 GLU 80 -2.967 1.644 3.165 631 H GLN 81 H GLN 81 1.223 3.306 3.476 632 HA GLN 81 HA GLN 81 0.141 3.686 6.094 633 HB2 GLN 81 HB2 GLN 81 2.434 3.600 6.917 634 HB3 GLN 81 HB1 GLN 81 2.130 2.297 5.786 635 HG2 GLN 81 HG2 GLN 81 3.348 3.484 4.050 636 HG3 GLN 81 HG1 GLN 81 3.559 4.855 5.130 637 HE21 GLN 81 HE21 GLN 81 5.566 3.195 3.843 638 HE22 GLN 81 HE22 GLN 81 6.512 2.572 5.170 639 H ALA 82 H ALA 82 1.535 5.770 3.703 640 HA ALA 82 HA ALA 82 2.028 7.925 5.489 641 HB1 ALA 82 HB1 ALA 82 1.779 7.928 2.482 642 HB2 ALA 82 HB2 ALA 82 3.270 7.683 3.391 643 HB3 ALA 82 HB3 ALA 82 2.435 9.237 3.462 644 H GLN 83 H GLN 83 -0.598 7.028 3.332 645 HA GLN 83 HA GLN 83 -1.976 9.499 3.685 646 HB2 GLN 83 HB2 GLN 83 -3.845 8.468 2.500 647 HB3 GLN 83 HB1 GLN 83 -2.339 8.134 1.661 648 HG2 GLN 83 HG2 GLN 83 -2.325 5.894 2.661 649 HG3 GLN 83 HG1 GLN 83 -3.860 6.252 3.442 650 HE21 GLN 83 HE21 GLN 83 -4.850 4.601 2.399 651 HE22 GLN 83 HE22 GLN 83 -5.275 4.639 0.728 652 H LYS 84 H LYS 84 -1.927 6.444 5.328 653 HA LYS 84 HA LYS 84 -4.322 7.018 6.766 654 HB2 LYS 84 HB2 LYS 84 -3.945 4.965 7.998 655 HB3 LYS 84 HB1 LYS 84 -3.627 4.681 6.306 656 HG2 LYS 84 HG2 LYS 84 -1.884 3.529 7.299 657 HG3 LYS 84 HG1 LYS 84 -1.153 5.100 6.963 658 HD2 LYS 84 HD2 LYS 84 -0.503 4.480 9.143 659 HD3 LYS 84 HD1 LYS 84 -1.690 5.788 9.241 660 HE2 LYS 84 HE2 LYS 84 -3.460 4.188 9.790 661 HE3 LYS 84 HE1 LYS 84 -2.321 2.857 9.615 662 HZ1 LYS 84 HZ1 LYS 84 -2.735 3.448 11.915 663 HZ2 LYS 84 HZ2 LYS 84 -2.175 4.998 11.670 664 HZ3 LYS 84 HZ3 LYS 84 -1.113 3.673 11.527 665 H GLN 85 H GLN 85 -0.936 7.646 7.251 666 HA GLN 85 HA GLN 85 -1.307 8.250 10.009 667 HB2 GLN 85 HB2 GLN 85 1.037 8.852 10.092 668 HB3 GLN 85 HB1 GLN 85 0.800 7.470 9.012 669 HG2 GLN 85 HG2 GLN 85 1.191 8.689 7.116 670 HG3 GLN 85 HG1 GLN 85 1.035 10.223 7.958 671 HE21 GLN 85 HE21 GLN 85 2.840 7.587 9.376 672 HE22 GLN 85 HE22 GLN 85 4.380 8.317 9.156 673 H LEU 86 H LEU 86 -1.435 10.108 7.095 674 HA LEU 86 HA LEU 86 -1.726 12.548 8.590 675 HB2 LEU 86 HB2 LEU 86 -1.686 11.875 5.705 676 HB3 LEU 86 HB1 LEU 86 -2.524 13.339 6.161 677 HG LEU 86 HG LEU 86 -0.206 13.717 5.445 678 HD11 LEU 86 HD11 LEU 86 -0.734 14.341 8.342 679 HD12 LEU 86 HD12 LEU 86 -1.318 15.268 6.966 680 HD13 LEU 86 HD13 LEU 86 0.415 15.182 7.301 681 HD21 LEU 86 HD21 LEU 86 0.877 11.725 6.262 682 HD22 LEU 86 HD22 LEU 86 0.455 12.165 7.918 683 HD23 LEU 86 HD23 LEU 86 1.615 13.142 7.031 684 H GLN 87 H GLN 87 -3.873 10.262 7.052 685 HA GLN 87 HA GLN 87 -6.228 11.792 7.308 686 HB2 GLN 87 HB2 GLN 87 -6.001 9.809 5.870 687 HB3 GLN 87 HB1 GLN 87 -5.903 8.791 7.298 688 HG2 GLN 87 HG2 GLN 87 -8.114 8.667 6.354 689 HG3 GLN 87 HG1 GLN 87 -8.139 9.476 7.926 690 HE21 GLN 87 HE21 GLN 87 -10.158 10.390 7.342 691 HE22 GLN 87 HE22 GLN 87 -10.244 11.763 6.295 692 H GLN 88 H GLN 88 -4.490 9.723 9.487 693 HA GLN 88 HA GLN 88 -6.551 9.624 11.498 694 HB2 GLN 88 HB2 GLN 88 -4.962 8.496 12.898 695 HB3 GLN 88 HB1 GLN 88 -4.830 7.842 11.267 696 HG2 GLN 88 HG2 GLN 88 -2.874 9.394 10.949 697 HG3 GLN 88 HG1 GLN 88 -2.961 9.720 12.675 698 HE21 GLN 88 HE21 GLN 88 -0.911 8.875 12.990 699 HE22 GLN 88 HE22 GLN 88 -0.590 7.183 12.943 700 H GLY 89 H GLY 89 -4.391 11.966 10.545 701 HA2 GLY 89 HA2 GLY 89 -4.058 13.129 13.168 702 HA3 GLY 89 HA1 GLY 89 -3.377 13.732 11.660 703 H GLN 90 H GLN 90 -4.119 15.687 11.443 704 HA GLN 90 HA GLN 90 -6.952 16.202 12.022 705 HB2 GLN 90 HB2 GLN 90 -4.689 18.185 11.747 706 HB3 GLN 90 HB1 GLN 90 -6.360 18.583 12.107 707 HG2 GLN 90 HG2 GLN 90 -4.499 16.980 13.849 708 HG3 GLN 90 HG1 GLN 90 -5.003 18.648 14.116 709 HE21 GLN 90 HE21 GLN 90 -7.141 19.037 14.752 710 HE22 GLN 90 HE22 GLN 90 -8.107 17.796 15.485 711 H GLY 91 H GLY 91 -4.431 16.971 9.628 712 HA2 GLY 91 HA2 GLY 91 -6.370 16.725 7.507 713 HA3 GLY 91 HA1 GLY 91 -5.728 18.343 7.726 714 H GLY 92 H GLY 92 -4.622 18.365 5.714 715 HA2 GLY 92 HA2 GLY 92 -2.461 18.377 4.936 716 HA3 GLY 92 HA1 GLY 92 -2.059 16.944 5.860 717 H GLN 93 H GLN 93 -4.516 15.603 4.841 718 HA GLN 93 HA GLN 93 -3.377 14.125 2.823 719 HB2 GLN 93 HB2 GLN 93 -6.250 14.553 3.507 720 HB3 GLN 93 HB1 GLN 93 -5.785 13.519 2.169 721 HG2 GLN 93 HG2 GLN 93 -4.836 13.166 5.000 722 HG3 GLN 93 HG1 GLN 93 -6.182 12.286 4.272 723 HE21 GLN 93 HE21 GLN 93 -5.756 10.805 2.646 724 HE22 GLN 93 HE22 GLN 93 -4.179 10.152 2.392 725 H GLN 94 H GLN 94 -5.147 17.083 2.400 726 HA GLN 94 HA GLN 94 -5.367 16.752 -0.455 727 HB2 GLN 94 HB2 GLN 94 -6.197 19.044 -0.500 728 HB3 GLN 94 HB1 GLN 94 -7.009 18.108 0.753 729 HG2 GLN 94 HG2 GLN 94 -5.576 19.087 2.426 730 HG3 GLN 94 HG1 GLN 94 -4.714 19.960 1.177 731 HE21 GLN 94 HE21 GLN 94 -6.206 20.944 3.473 732 HE22 GLN 94 HE22 GLN 94 -7.413 22.021 2.865 733 H GLN 95 H GLN 95 -3.141 18.398 1.728 734 HA GLN 95 HA GLN 95 -1.814 19.631 -0.497 735 HB2 GLN 95 HB2 GLN 95 -0.234 20.563 1.105 736 HB3 GLN 95 HB1 GLN 95 -1.921 20.921 1.553 737 HG2 GLN 95 HG2 GLN 95 -1.800 19.255 3.223 738 HG3 GLN 95 HG1 GLN 95 -0.143 18.847 2.779 739 HE21 GLN 95 HE21 GLN 95 -1.152 19.894 5.329 740 HE22 GLN 95 HE22 GLN 95 -0.291 21.357 5.610 741 H VAL 96 H VAL 96 -1.153 17.187 1.845 742 HA VAL 96 HA VAL 96 1.366 16.353 0.953 743 HB VAL 96 HB VAL 96 -0.794 14.670 2.286 744 HG11 VAL 96 HG11 VAL 96 2.100 14.078 1.855 745 HG12 VAL 96 HG12 VAL 96 0.708 13.155 1.282 746 HG13 VAL 96 HG13 VAL 96 1.068 13.229 3.009 747 HG21 VAL 96 HG21 VAL 96 -0.141 16.570 3.624 748 HG22 VAL 96 HG22 VAL 96 1.567 16.149 3.442 749 HG23 VAL 96 HG23 VAL 96 0.484 15.089 4.339 750 H GLN 97 H GLN 97 -1.737 15.898 -0.430 751 HA GLN 97 HA GLN 97 -1.476 13.652 -2.006 752 HB2 GLN 97 HB2 GLN 97 -3.519 14.938 -1.948 753 HB3 GLN 97 HB1 GLN 97 -2.710 16.287 -2.736 754 HG2 GLN 97 HG2 GLN 97 -2.348 14.858 -4.723 755 HG3 GLN 97 HG1 GLN 97 -3.277 13.584 -3.943 756 HE21 GLN 97 HE21 GLN 97 -4.036 16.993 -3.702 757 HE22 GLN 97 HE22 GLN 97 -5.487 16.922 -4.622 758 H GLN 98 H GLN 98 -0.191 16.914 -2.704 759 HA GLN 98 HA GLN 98 0.668 16.296 -5.326 760 HB2 GLN 98 HB2 GLN 98 1.935 18.349 -5.291 761 HB3 GLN 98 HB1 GLN 98 0.350 18.628 -4.587 762 HG2 GLN 98 HG2 GLN 98 1.283 18.551 -2.390 763 HG3 GLN 98 HG1 GLN 98 2.871 18.157 -3.027 764 HE21 GLN 98 HE21 GLN 98 2.581 20.059 -5.270 765 HE22 GLN 98 HE22 GLN 98 2.805 21.619 -4.560 766 H MET 99 H MET 99 1.968 15.458 -2.301 767 HA MET 99 HA MET 99 4.661 15.141 -3.423 768 HB2 MET 99 HB2 MET 99 3.926 16.193 -1.067 769 HB3 MET 99 HB1 MET 99 3.979 14.512 -0.634 770 HG2 MET 99 HG2 MET 99 6.069 15.481 -0.073 771 HG3 MET 99 HG1 MET 99 6.247 14.288 -1.362 772 HE1 MET 99 HE1 MET 99 8.700 15.243 -1.683 773 HE2 MET 99 HE2 MET 99 8.423 16.478 -0.455 774 HE3 MET 99 HE3 MET 99 9.061 16.932 -2.036 775 H VAL 100 H VAL 100 2.201 13.430 -1.593 776 HA VAL 100 HA VAL 100 3.495 10.935 -1.792 777 HB VAL 100 HB VAL 100 1.771 11.406 -0.075 778 HG11 VAL 100 HG11 VAL 100 0.180 12.592 -1.369 779 HG12 VAL 100 HG12 VAL 100 -0.602 11.205 -0.597 780 HG13 VAL 100 HG13 VAL 100 -0.199 11.155 -2.321 781 HG21 VAL 100 HG21 VAL 100 1.198 9.010 -1.784 782 HG22 VAL 100 HG22 VAL 100 0.669 9.207 -0.107 783 HG23 VAL 100 HG23 VAL 100 2.395 9.114 -0.493 784 H LYS 101 H LYS 101 1.452 12.599 -4.065 785 HA LYS 101 HA LYS 101 0.767 10.439 -5.729 786 HB2 LYS 101 HB2 LYS 101 0.439 12.051 -7.495 787 HB3 LYS 101 HB1 LYS 101 -0.119 12.746 -5.978 788 HG2 LYS 101 HG2 LYS 101 1.480 14.314 -5.921 789 HG3 LYS 101 HG1 LYS 101 2.673 13.279 -6.700 790 HD2 LYS 101 HD2 LYS 101 1.653 13.558 -8.788 791 HD3 LYS 101 HD1 LYS 101 0.333 14.550 -8.122 792 HE2 LYS 101 HE2 LYS 101 2.098 16.180 -7.391 793 HE3 LYS 101 HE1 LYS 101 3.287 15.198 -8.241 794 HZ1 LYS 101 HZ1 LYS 101 2.564 17.045 -9.593 795 HZ2 LYS 101 HZ2 LYS 101 0.955 16.541 -9.482 796 HZ3 LYS 101 HZ3 LYS 101 2.084 15.594 -10.293 797 H LYS 102 H LYS 102 3.823 12.075 -5.202 798 HA LYS 102 HA LYS 102 5.068 11.495 -7.622 799 HB2 LYS 102 HB2 LYS 102 6.168 11.910 -4.846 800 HB3 LYS 102 HB1 LYS 102 7.173 11.793 -6.283 801 HG2 LYS 102 HG2 LYS 102 6.411 13.828 -7.131 802 HG3 LYS 102 HG1 LYS 102 4.977 13.823 -6.104 803 HD2 LYS 102 HD2 LYS 102 6.628 15.457 -5.311 804 HD3 LYS 102 HD1 LYS 102 6.357 14.179 -4.138 805 HE2 LYS 102 HE2 LYS 102 8.656 14.682 -4.235 806 HE3 LYS 102 HE1 LYS 102 8.412 13.074 -4.872 807 HZ1 LYS 102 HZ1 LYS 102 8.819 15.530 -6.519 808 HZ2 LYS 102 HZ2 LYS 102 8.601 13.986 -7.142 809 HZ3 LYS 102 HZ3 LYS 102 9.977 14.346 -6.252 810 H ALA 103 H ALA 103 4.525 9.741 -4.667 811 HA ALA 103 HA ALA 103 6.213 7.532 -5.151 812 HB1 ALA 103 HB1 ALA 103 4.812 6.325 -3.534 813 HB2 ALA 103 HB2 ALA 103 3.615 7.619 -3.607 814 HB3 ALA 103 HB3 ALA 103 5.217 7.936 -2.943 815 H GLN 104 H GLN 104 2.955 8.336 -6.160 816 HA GLN 104 HA GLN 104 2.403 5.779 -7.244 817 HB2 GLN 104 HB2 GLN 104 1.151 8.457 -7.859 818 HB3 GLN 104 HB1 GLN 104 0.506 6.905 -8.379 819 HG2 GLN 104 HG2 GLN 104 0.199 6.247 -6.045 820 HG3 GLN 104 HG1 GLN 104 0.872 7.787 -5.519 821 HE21 GLN 104 HE21 GLN 104 -1.916 6.165 -6.834 822 HE22 GLN 104 HE22 GLN 104 -2.977 7.508 -6.701 823 H MET 105 H MET 105 4.271 8.425 -8.346 824 HA MET 105 HA MET 105 4.331 7.443 -11.100 825 HB2 MET 105 HB2 MET 105 6.167 9.473 -9.932 826 HB3 MET 105 HB1 MET 105 5.746 9.259 -11.614 827 HG2 MET 105 HG2 MET 105 3.379 9.915 -10.967 828 HG3 MET 105 HG1 MET 105 4.057 10.433 -9.442 829 HE1 MET 105 HE1 MET 105 6.968 11.472 -10.421 830 HE2 MET 105 HE2 MET 105 6.013 12.351 -9.226 831 HE3 MET 105 HE3 MET 105 6.661 13.191 -10.630 832 H LEU 106 H LEU 106 5.874 6.835 -8.157 833 HA LEU 106 HA LEU 106 8.539 6.491 -8.817 834 HB2 LEU 106 HB2 LEU 106 6.889 5.814 -6.558 835 HB3 LEU 106 HB1 LEU 106 7.940 4.481 -6.936 836 HG LEU 106 HG LEU 106 8.890 5.959 -5.215 837 HD11 LEU 106 HD11 LEU 106 10.448 5.939 -7.787 838 HD12 LEU 106 HD12 LEU 106 10.366 4.635 -6.601 839 HD13 LEU 106 HD13 LEU 106 11.111 6.173 -6.169 840 HD21 LEU 106 HD21 LEU 106 9.741 8.171 -5.815 841 HD22 LEU 106 HD22 LEU 106 7.990 8.108 -5.989 842 HD23 LEU 106 HD23 LEU 106 9.021 8.027 -7.414 843 HA PRO 107 HA PRO 107 7.709 1.897 -10.035 844 HB2 PRO 107 HB2 PRO 107 5.307 1.518 -11.339 845 HB3 PRO 107 HB1 PRO 107 5.618 1.037 -9.669 846 HG2 PRO 107 HG2 PRO 107 4.250 3.476 -10.713 847 HG3 PRO 107 HG1 PRO 107 3.837 2.465 -9.315 848 HD2 PRO 107 HD2 PRO 107 5.060 4.821 -9.017 849 HD3 PRO 107 HD1 PRO 107 5.453 3.439 -7.974 850 H ASN 108 H ASN 108 6.622 4.779 -11.781 851 HA ASN 108 HA ASN 108 7.455 3.565 -14.212 852 HB2 ASN 108 HB2 ASN 108 6.324 6.244 -13.469 853 HB3 ASN 108 HB1 ASN 108 6.838 5.810 -15.086 854 HD21 ASN 108 HD21 ASN 108 4.205 6.582 -14.225 855 HD22 ASN 108 HD22 ASN 108 3.135 5.276 -14.546 856 H GLN 109 H GLN 109 8.486 5.946 -11.846 857 HA GLN 109 HA GLN 109 10.696 6.934 -13.396 858 HB2 GLN 109 HB2 GLN 109 10.147 7.210 -10.449 859 HB3 GLN 109 HB1 GLN 109 11.376 8.085 -11.340 860 HG2 GLN 109 HG2 GLN 109 9.624 9.169 -12.665 861 HG3 GLN 109 HG1 GLN 109 8.402 8.298 -11.731 862 HE21 GLN 109 HE21 GLN 109 8.100 8.829 -9.537 863 HE22 GLN 109 HE22 GLN 109 8.705 10.312 -8.895 864 H CYS 110 H CYS 110 10.322 4.484 -10.926 865 HA CYS 110 HA CYS 110 13.205 4.163 -10.645 866 HB2 CYS 110 HB2 CYS 110 11.471 4.122 -8.725 867 HB3 CYS 110 HB1 CYS 110 11.014 2.575 -9.327 868 H ASN 111 H ASN 111 10.859 3.149 -12.716 869 HA ASN 111 HA ASN 111 10.729 1.630 -14.359 870 HB2 ASN 111 HB2 ASN 111 13.165 2.147 -14.722 871 HB3 ASN 111 HB1 ASN 111 13.566 0.862 -13.603 872 HD21 ASN 111 HD21 ASN 111 11.011 0.627 -16.040 873 HD22 ASN 111 HD22 ASN 111 11.816 -0.553 -17.002 874 H LEU 112 H LEU 112 9.386 0.964 -12.397 875 HA LEU 112 HA LEU 112 10.086 -1.750 -11.539 876 HB2 LEU 112 HB2 LEU 112 7.829 -0.031 -10.524 877 HB3 LEU 112 HB1 LEU 112 8.486 -1.481 -9.790 878 HG LEU 112 HG LEU 112 9.902 1.153 -10.053 879 HD11 LEU 112 HD11 LEU 112 9.848 1.204 -7.595 880 HD12 LEU 112 HD12 LEU 112 8.872 -0.246 -7.589 881 HD13 LEU 112 HD13 LEU 112 8.226 1.246 -8.275 882 HD21 LEU 112 HD21 LEU 112 11.482 -0.631 -10.289 883 HD22 LEU 112 HD22 LEU 112 10.846 -1.440 -8.864 884 HD23 LEU 112 HD23 LEU 112 11.684 0.108 -8.703 885 H GLN 113 H GLN 113 8.382 -3.372 -11.551 886 HA GLN 113 HA GLN 113 7.227 -3.541 -14.179 887 HB2 GLN 113 HB2 GLN 113 7.105 -5.490 -11.886 888 HB3 GLN 113 HB1 GLN 113 6.758 -5.849 -13.573 889 HG2 GLN 113 HG2 GLN 113 9.066 -5.223 -14.136 890 HG3 GLN 113 HG1 GLN 113 9.342 -4.965 -12.412 891 HE21 GLN 113 HE21 GLN 113 10.550 -6.850 -14.348 892 HE22 GLN 113 HE22 GLN 113 10.384 -8.420 -13.666 893 H CYS 114 H CYS 114 5.933 -1.584 -12.831 894 HA CYS 114 HA CYS 114 3.186 -2.481 -12.706 895 HB2 CYS 114 HB2 CYS 114 4.832 -1.467 -10.504 896 HB3 CYS 114 HB1 CYS 114 3.047 -1.315 -10.375 897 H SER 115 H SER 115 1.765 -0.512 -12.733 898 HA SER 115 HA SER 115 3.097 2.032 -12.963 899 HB2 SER 115 HB2 SER 115 1.841 2.473 -15.129 900 HB3 SER 115 HB1 SER 115 3.174 1.327 -15.258 901 HG SER 115 HG SER 115 1.446 -0.309 -14.872 902 H ILE 116 H ILE 116 1.730 3.740 -12.345 903 HA ILE 116 HA ILE 116 -0.881 2.867 -11.366 904 HB ILE 116 HB ILE 116 0.731 5.293 -10.521 905 HG12 ILE 116 HG12 ILE 116 1.844 3.224 -9.827 906 HG13 ILE 116 HG11 ILE 116 1.213 4.093 -8.442 907 HG21 ILE 116 HG21 ILE 116 -1.634 5.652 -10.222 908 HG22 ILE 116 HG22 ILE 116 -0.886 5.407 -8.639 909 HG23 ILE 116 HG23 ILE 116 -1.796 4.105 -9.397 910 HD11 ILE 116 HD11 ILE 116 -0.678 2.516 -8.361 911 HD12 ILE 116 HD12 ILE 116 0.890 1.716 -8.208 912 HD13 ILE 116 HD13 ILE 116 0.014 1.649 -9.739 Start of MODEL 14 1 H1 GLY 1 H GLY 1 0.112 -13.479 -0.883 2 H2 GLY 1 HT1 GLY 1 -0.269 -13.126 -2.059 3 H3 GLY 1 HT2 GLY 1 0.238 -13.177 -0.458 4 HA2 GLY 1 HA1 GLY 1 -1.840 -11.381 -1.532 5 HA3 GLY 1 HA2 GLY 1 -2.066 -12.739 -0.435 6 H ARG 2 H ARG 2 -2.797 -11.632 1.360 7 HA ARG 2 HA ARG 2 -1.202 -9.324 2.248 8 HB2 ARG 2 HB2 ARG 2 -3.732 -10.502 3.375 9 HB3 ARG 2 HB1 ARG 2 -2.890 -9.113 4.024 10 HG2 ARG 2 HG2 ARG 2 -3.379 -7.878 1.972 11 HG3 ARG 2 HG1 ARG 2 -4.245 -9.292 1.348 12 HD2 ARG 2 HD2 ARG 2 -4.885 -7.824 3.892 13 HD3 ARG 2 HD1 ARG 2 -5.778 -7.667 2.384 14 HE ARG 2 HE ARG 2 -6.273 -10.090 2.611 15 HH11 ARG 2 HH11 ARG 2 -5.483 -8.257 5.566 16 HH12 ARG 2 HH12 ARG 2 -6.376 -9.282 6.577 17 HH21 ARG 2 HH21 ARG 2 -7.499 -11.487 4.076 18 HH22 ARG 2 HH22 ARG 2 -7.532 -11.098 5.732 19 H CYS 3 H CYS 3 0.282 -9.543 3.674 20 HA CYS 3 HA CYS 3 0.082 -11.875 5.418 21 HB2 CYS 3 HB2 CYS 3 2.606 -10.607 4.429 22 HB3 CYS 3 HB1 CYS 3 2.453 -12.010 5.453 23 H THR 4 H THR 4 0.423 -11.510 7.475 24 HA THR 4 HA THR 4 0.290 -8.849 8.408 25 HB THR 4 HB THR 4 0.574 -9.840 10.674 26 HG1 THR 4 HG1 THR 4 1.020 -11.900 10.956 27 HG21 THR 4 HG21 THR 4 -1.340 -11.371 8.907 28 HG22 THR 4 HG22 THR 4 -1.665 -9.822 9.686 29 HG23 THR 4 HG23 THR 4 -1.434 -11.271 10.665 30 H LYS 5 H LYS 5 1.915 -7.622 9.300 31 HA LYS 5 HA LYS 5 4.484 -8.316 8.221 32 HB2 LYS 5 HB2 LYS 5 3.692 -5.796 9.672 33 HB3 LYS 5 HB1 LYS 5 5.107 -6.067 8.666 34 HG2 LYS 5 HG2 LYS 5 2.244 -6.025 7.717 35 HG3 LYS 5 HG1 LYS 5 3.427 -4.740 7.475 36 HD2 LYS 5 HD2 LYS 5 4.794 -6.282 6.140 37 HD3 LYS 5 HD1 LYS 5 3.604 -7.554 6.391 38 HE2 LYS 5 HE2 LYS 5 3.085 -4.935 4.973 39 HE3 LYS 5 HE1 LYS 5 3.338 -6.491 4.187 40 HZ1 LYS 5 HZ1 LYS 5 1.318 -7.312 5.330 41 HZ2 LYS 5 HZ2 LYS 5 0.979 -6.000 4.339 42 HZ3 LYS 5 HZ3 LYS 5 1.079 -5.780 5.988 43 H SER 6 H SER 6 4.514 -10.114 9.761 44 HA SER 6 HA SER 6 6.089 -9.368 12.061 45 HB2 SER 6 HB2 SER 6 3.725 -9.513 12.854 46 HB3 SER 6 HB1 SER 6 3.627 -11.140 12.192 47 HG SER 6 HG SER 6 4.315 -11.752 14.018 48 H ILE 7 H ILE 7 6.956 -11.539 12.947 49 HA ILE 7 HA ILE 7 7.292 -13.533 10.820 50 HB ILE 7 HB ILE 7 9.453 -12.411 12.641 51 HG12 ILE 7 HG12 ILE 7 8.932 -11.027 10.656 52 HG13 ILE 7 HG11 ILE 7 10.580 -11.658 10.606 53 HG21 ILE 7 HG21 ILE 7 9.671 -14.695 10.689 54 HG22 ILE 7 HG22 ILE 7 9.730 -14.811 12.447 55 HG23 ILE 7 HG23 ILE 7 11.012 -13.967 11.577 56 HD11 ILE 7 HD11 ILE 7 9.565 -11.735 8.420 57 HD12 ILE 7 HD12 ILE 7 8.185 -12.627 9.049 58 HD13 ILE 7 HD13 ILE 7 9.780 -13.385 9.008 59 HA PRO 8 HA PRO 8 7.204 -15.554 10.482 60 HB2 PRO 8 HB2 PRO 8 5.246 -17.410 10.536 61 HB3 PRO 8 HB1 PRO 8 6.898 -17.740 11.079 62 HG2 PRO 8 HG2 PRO 8 4.474 -17.086 12.709 63 HG3 PRO 8 HG1 PRO 8 5.699 -18.336 12.991 64 HD2 PRO 8 HD2 PRO 8 5.713 -15.943 14.275 65 HD3 PRO 8 HD1 PRO 8 7.195 -16.841 13.897 66 HA PRO 9 HA PRO 9 3.857 -12.946 9.293 67 HB2 PRO 9 HB2 PRO 9 3.938 -13.277 6.624 68 HB3 PRO 9 HB1 PRO 9 5.180 -12.387 7.514 69 HG2 PRO 9 HG2 PRO 9 5.238 -15.176 6.457 70 HG3 PRO 9 HG1 PRO 9 6.527 -13.958 6.467 71 HD2 PRO 9 HD2 PRO 9 6.313 -16.017 8.281 72 HD3 PRO 9 HD1 PRO 9 7.161 -14.490 8.600 73 H ILE 10 H ILE 10 1.715 -13.188 9.095 74 HA ILE 10 HA ILE 10 0.643 -15.828 8.511 75 HB ILE 10 HB ILE 10 -0.715 -13.323 9.549 76 HG12 ILE 10 HG12 ILE 10 0.985 -14.041 11.128 77 HG13 ILE 10 HG11 ILE 10 -0.615 -14.332 11.796 78 HG21 ILE 10 HG21 ILE 10 -2.279 -14.843 8.520 79 HG22 ILE 10 HG22 ILE 10 -2.513 -14.822 10.271 80 HG23 ILE 10 HG23 ILE 10 -1.665 -16.169 9.506 81 HD11 ILE 10 HD11 ILE 10 0.873 -16.175 12.311 82 HD12 ILE 10 HD12 ILE 10 1.241 -16.388 10.603 83 HD13 ILE 10 HD13 ILE 10 -0.385 -16.724 11.200 84 H CYS 11 H CYS 11 0.201 -16.091 6.367 85 HA CYS 11 HA CYS 11 -0.538 -13.690 4.873 86 HB2 CYS 11 HB2 CYS 11 0.655 -16.244 3.784 87 HB3 CYS 11 HB1 CYS 11 0.159 -14.847 2.835 88 H PHE 12 H PHE 12 -2.259 -13.471 3.832 89 HA PHE 12 HA PHE 12 -4.262 -15.601 3.706 90 HB2 PHE 12 HB2 PHE 12 -4.464 -12.594 3.862 91 HB3 PHE 12 HB1 PHE 12 -5.817 -13.589 3.348 92 HD1 PHE 12 HD1 PHE 12 -3.850 -12.420 6.155 93 HD2 PHE 12 HD2 PHE 12 -6.806 -15.184 4.873 94 HE1 PHE 12 HE1 PHE 12 -4.504 -12.801 8.497 95 HE2 PHE 12 HE2 PHE 12 -7.471 -15.585 7.150 96 HZ PHE 12 HZ PHE 12 -6.325 -14.384 9.016 97 HA PRO 13 HA PRO 13 -4.150 -15.860 -0.737 98 HB2 PRO 13 HB2 PRO 13 -6.993 -14.965 -0.631 99 HB3 PRO 13 HB1 PRO 13 -6.278 -16.327 -1.502 100 HG2 PRO 13 HG2 PRO 13 -7.627 -16.751 0.732 101 HG3 PRO 13 HG1 PRO 13 -6.128 -17.636 0.405 102 HD2 PRO 13 HD2 PRO 13 -6.628 -15.401 2.315 103 HD3 PRO 13 HD1 PRO 13 -5.514 -16.759 2.447 104 H ASP 14 H ASP 14 -6.299 -13.174 0.155 105 HA ASP 14 HA ASP 14 -4.657 -11.226 -1.138 106 HB2 ASP 14 HB2 ASP 14 -6.036 -12.423 -3.002 107 HB3 ASP 14 HB1 ASP 14 -7.450 -11.696 -2.263 108 H GLY 15 H GLY 15 -7.057 -9.464 -1.336 109 HA2 GLY 15 HA2 GLY 15 -8.292 -9.545 1.286 110 HA3 GLY 15 HA1 GLY 15 -7.141 -8.236 1.056 111 H LEU 16 H LEU 16 -7.405 -7.125 -1.046 112 HA LEU 16 HA LEU 16 -10.223 -6.811 -1.724 113 HB2 LEU 16 HB2 LEU 16 -9.145 -5.128 0.057 114 HB3 LEU 16 HB1 LEU 16 -8.521 -4.375 -1.393 115 HG LEU 16 HG LEU 16 -10.537 -3.255 -0.626 116 HD11 LEU 16 HD11 LEU 16 -11.894 -3.334 -2.650 117 HD12 LEU 16 HD12 LEU 16 -11.053 -4.804 -3.152 118 HD13 LEU 16 HD13 LEU 16 -10.169 -3.283 -3.023 119 HD21 LEU 16 HD21 LEU 16 -11.908 -5.910 -0.996 120 HD22 LEU 16 HD22 LEU 16 -12.686 -4.393 -0.523 121 HD23 LEU 16 HD23 LEU 16 -11.501 -5.165 0.540 122 H ASP 17 H ASP 17 -7.090 -5.436 -2.323 123 HA ASP 17 HA ASP 17 -7.138 -6.380 -5.079 124 HB2 ASP 17 HB2 ASP 17 -8.155 -4.143 -5.240 125 HB3 ASP 17 HB1 ASP 17 -6.770 -3.448 -4.405 126 H ASN 18 H ASN 18 -5.346 -7.533 -5.075 127 HA ASN 18 HA ASN 18 -2.799 -6.251 -4.338 128 HB2 ASN 18 HB2 ASN 18 -3.649 -9.078 -3.621 129 HB3 ASN 18 HB1 ASN 18 -2.017 -8.455 -3.467 130 HD21 ASN 18 HD21 ASN 18 -5.240 -8.360 -2.250 131 HD22 ASN 18 HD22 ASN 18 -4.860 -7.591 -0.737 132 HA PRO 19 HA PRO 19 -2.303 -7.783 -8.520 133 HB2 PRO 19 HB2 PRO 19 0.428 -6.673 -8.113 134 HB3 PRO 19 HB1 PRO 19 -0.731 -6.349 -9.404 135 HG2 PRO 19 HG2 PRO 19 -0.269 -4.534 -7.520 136 HG3 PRO 19 HG1 PRO 19 -1.907 -4.802 -8.143 137 HD2 PRO 19 HD2 PRO 19 -0.662 -5.779 -5.609 138 HD3 PRO 19 HD1 PRO 19 -2.281 -5.079 -5.882 139 H ARG 20 H ARG 20 0.203 -8.030 -6.022 140 HA ARG 20 HA ARG 20 0.327 -10.916 -6.632 141 HB2 ARG 20 HB2 ARG 20 2.677 -9.367 -5.471 142 HB3 ARG 20 HB1 ARG 20 2.654 -11.060 -5.909 143 HG2 ARG 20 HG2 ARG 20 3.887 -10.038 -7.589 144 HG3 ARG 20 HG1 ARG 20 2.279 -10.216 -8.301 145 HD2 ARG 20 HD2 ARG 20 1.765 -7.944 -7.520 146 HD3 ARG 20 HD1 ARG 20 3.432 -7.767 -7.027 147 HE ARG 20 HE ARG 20 3.530 -8.561 -9.636 148 HH11 ARG 20 HH11 ARG 20 2.299 -5.707 -7.830 149 HH12 ARG 20 HH12 ARG 20 2.408 -4.709 -9.196 150 HH21 ARG 20 HH21 ARG 20 3.611 -7.105 -11.453 151 HH22 ARG 20 HH22 ARG 20 3.142 -5.478 -11.246 152 H GLY 21 H GLY 21 0.914 -8.369 -4.281 153 HA2 GLY 21 HA2 GLY 21 0.129 -8.338 -2.068 154 HA3 GLY 21 HA1 GLY 21 -0.228 -10.072 -2.215 155 H CYS 22 H CYS 22 2.401 -7.878 -2.535 156 HA CYS 22 HA CYS 22 4.133 -9.839 -1.333 157 HB2 CYS 22 HB2 CYS 22 4.520 -7.230 -2.696 158 HB3 CYS 22 HB1 CYS 22 5.836 -7.919 -1.779 159 H GLN 23 H GLN 23 5.304 -9.396 0.492 160 HA GLN 23 HA GLN 23 4.044 -7.437 2.218 161 HB2 GLN 23 HB2 GLN 23 4.870 -8.852 4.072 162 HB3 GLN 23 HB1 GLN 23 3.668 -9.578 2.981 163 HG2 GLN 23 HG2 GLN 23 5.323 -10.840 1.861 164 HG3 GLN 23 HG1 GLN 23 6.617 -10.075 2.760 165 HE21 GLN 23 HE21 GLN 23 5.315 -10.139 5.296 166 HE22 GLN 23 HE22 GLN 23 5.334 -11.787 5.809 167 H ILE 24 H ILE 24 5.168 -5.736 2.018 168 HA ILE 24 HA ILE 24 8.093 -5.917 2.087 169 HB ILE 24 HB ILE 24 6.435 -3.496 1.257 170 HG12 ILE 24 HG12 ILE 24 7.257 -4.060 -1.102 171 HG13 ILE 24 HG11 ILE 24 7.550 -5.692 -0.494 172 HG21 ILE 24 HG21 ILE 24 8.467 -2.756 0.169 173 HG22 ILE 24 HG22 ILE 24 9.336 -4.138 0.836 174 HG23 ILE 24 HG23 ILE 24 8.677 -2.900 1.920 175 HD11 ILE 24 HD11 ILE 24 5.468 -5.544 -1.665 176 HD12 ILE 24 HD12 ILE 24 4.939 -4.213 -0.635 177 HD13 ILE 24 HD13 ILE 24 5.156 -5.827 0.046 178 H ARG 25 H ARG 25 9.189 -4.886 3.731 179 HA ARG 25 HA ARG 25 7.689 -4.313 6.018 180 HB2 ARG 25 HB2 ARG 25 9.846 -3.704 7.069 181 HB3 ARG 25 HB1 ARG 25 9.870 -5.272 6.284 182 HG2 ARG 25 HG2 ARG 25 11.063 -4.145 4.343 183 HG3 ARG 25 HG1 ARG 25 11.102 -2.713 5.351 184 HD2 ARG 25 HD2 ARG 25 12.366 -3.833 7.054 185 HD3 ARG 25 HD1 ARG 25 12.230 -5.358 6.174 186 HE ARG 25 HE ARG 25 13.507 -4.181 4.371 187 HH11 ARG 25 HH11 ARG 25 13.976 -3.234 7.783 188 HH12 ARG 25 HH12 ARG 25 15.610 -2.847 7.571 189 HH21 ARG 25 HH21 ARG 25 15.761 -3.617 4.121 190 HH22 ARG 25 HH22 ARG 25 16.656 -3.042 5.444 191 H ILE 26 H ILE 26 6.675 -2.561 6.543 192 HA ILE 26 HA ILE 26 6.702 -0.324 4.836 193 HB ILE 26 HB ILE 26 5.168 0.779 6.469 194 HG12 ILE 26 HG12 ILE 26 4.108 -0.793 8.205 195 HG13 ILE 26 HG11 ILE 26 5.526 -1.805 8.020 196 HG21 ILE 26 HG21 ILE 26 4.324 -0.483 4.631 197 HG22 ILE 26 HG22 ILE 26 3.304 -0.771 6.051 198 HG23 ILE 26 HG23 ILE 26 4.492 -1.980 5.549 199 HD11 ILE 26 HD11 ILE 26 5.468 1.032 9.026 200 HD12 ILE 26 HD12 ILE 26 6.919 0.050 8.830 201 HD13 ILE 26 HD13 ILE 26 5.684 -0.424 9.999 202 H GLN 27 H GLN 27 8.748 -1.074 7.273 203 HA GLN 27 HA GLN 27 9.316 1.576 8.211 204 HB2 GLN 27 HB2 GLN 27 11.119 0.561 9.442 205 HB3 GLN 27 HB1 GLN 27 9.673 -0.446 9.543 206 HG2 GLN 27 HG2 GLN 27 10.576 -1.955 7.856 207 HG3 GLN 27 HG1 GLN 27 12.001 -0.946 7.710 208 HE21 GLN 27 HE21 GLN 27 10.507 -1.608 10.786 209 HE22 GLN 27 HE22 GLN 27 11.760 -2.617 11.389 210 H GLN 28 H GLN 28 10.198 -0.333 5.492 211 HA GLN 28 HA GLN 28 12.660 1.117 5.118 212 HB2 GLN 28 HB2 GLN 28 13.133 -0.323 3.287 213 HB3 GLN 28 HB1 GLN 28 12.343 -1.301 4.521 214 HG2 GLN 28 HG2 GLN 28 10.340 -1.394 3.339 215 HG3 GLN 28 HG1 GLN 28 10.867 -0.136 2.214 216 HE21 GLN 28 HE21 GLN 28 12.292 -0.613 0.661 217 HE22 GLN 28 HE22 GLN 28 12.692 -2.225 0.203 218 H LEU 29 H LEU 29 9.387 1.413 4.372 219 HA LEU 29 HA LEU 29 9.901 3.292 2.182 220 HB2 LEU 29 HB2 LEU 29 7.296 2.242 3.254 221 HB3 LEU 29 HB1 LEU 29 7.430 3.466 2.020 222 HG LEU 29 HG LEU 29 6.946 1.596 0.846 223 HD11 LEU 29 HD11 LEU 29 9.943 1.679 0.859 224 HD12 LEU 29 HD12 LEU 29 8.865 2.707 -0.062 225 HD13 LEU 29 HD13 LEU 29 8.948 0.973 -0.427 226 HD21 LEU 29 HD21 LEU 29 8.812 0.057 2.621 227 HD22 LEU 29 HD22 LEU 29 7.965 -0.632 1.228 228 HD23 LEU 29 HD23 LEU 29 7.052 -0.010 2.610 229 H ASN 30 H ASN 30 9.947 3.302 5.332 230 HA ASN 30 HA ASN 30 8.267 5.306 6.191 231 HB2 ASN 30 HB2 ASN 30 9.474 3.888 7.753 232 HB3 ASN 30 HB1 ASN 30 11.002 4.590 7.240 233 HD21 ASN 30 HD21 ASN 30 8.084 5.104 9.054 234 HD22 ASN 30 HD22 ASN 30 8.627 6.512 9.895 235 H HIS 31 H HIS 31 11.293 5.582 4.433 236 HA HIS 31 HA HIS 31 11.693 8.352 5.119 237 HB2 HIS 31 HB2 HIS 31 13.487 6.623 4.150 238 HB3 HIS 31 HB1 HIS 31 12.779 7.142 2.622 239 HD1 HIS 31 HD1 HIS 31 15.716 7.795 4.189 240 HD2 HIS 31 HD2 HIS 31 12.668 10.313 2.911 241 HE1 HIS 31 HE1 HIS 31 16.768 10.041 3.868 242 H CYS 32 H CYS 32 10.613 6.621 2.187 243 HA CYS 32 HA CYS 32 9.841 8.803 0.663 244 HB2 CYS 32 HB2 CYS 32 9.386 5.923 0.635 245 HB3 CYS 32 HB1 CYS 32 7.982 6.809 0.032 246 H GLN 33 H GLN 33 7.815 6.781 2.789 247 HA GLN 33 HA GLN 33 5.479 8.070 2.711 248 HB2 GLN 33 HB2 GLN 33 5.709 6.057 3.873 249 HB3 GLN 33 HB1 GLN 33 6.943 6.731 4.932 250 HG2 GLN 33 HG2 GLN 33 5.340 8.278 5.788 251 HG3 GLN 33 HG1 GLN 33 4.034 7.505 4.897 252 HE21 GLN 33 HE21 GLN 33 6.707 5.943 6.532 253 HE22 GLN 33 HE22 GLN 33 5.778 5.130 7.726 254 H MET 34 H MET 34 8.106 8.798 5.103 255 HA MET 34 HA MET 34 6.567 10.891 6.246 256 HB2 MET 34 HB2 MET 34 8.531 11.595 7.507 257 HB3 MET 34 HB1 MET 34 8.269 9.858 7.640 258 HG2 MET 34 HG2 MET 34 10.155 9.397 6.313 259 HG3 MET 34 HG1 MET 34 10.245 11.053 5.721 260 HE1 MET 34 HE1 MET 34 9.565 10.110 9.485 261 HE2 MET 34 HE2 MET 34 11.205 9.951 10.115 262 HE3 MET 34 HE3 MET 34 10.592 8.781 8.945 263 H HIS 35 H HIS 35 9.113 10.865 3.898 264 HA HIS 35 HA HIS 35 9.546 13.659 3.870 265 HB2 HIS 35 HB2 HIS 35 10.950 11.634 2.927 266 HB3 HIS 35 HB1 HIS 35 10.068 11.999 1.452 267 HD1 HIS 35 HD1 HIS 35 10.188 15.105 1.421 268 HD2 HIS 35 HD2 HIS 35 13.352 12.643 2.551 269 HE1 HIS 35 HE1 HIS 35 12.288 16.444 1.062 270 H LEU 36 H LEU 36 7.364 11.540 2.083 271 HA LEU 36 HA LEU 36 6.528 13.645 0.343 272 HB2 LEU 36 HB2 LEU 36 5.317 10.947 0.869 273 HB3 LEU 36 HB1 LEU 36 4.741 12.057 -0.367 274 HG LEU 36 HG LEU 36 7.445 10.750 -0.230 275 HD11 LEU 36 HD11 LEU 36 5.698 9.208 -0.851 276 HD12 LEU 36 HD12 LEU 36 6.741 9.553 -2.232 277 HD13 LEU 36 HD13 LEU 36 5.151 10.307 -2.118 278 HD21 LEU 36 HD21 LEU 36 7.825 11.697 -2.476 279 HD22 LEU 36 HD22 LEU 36 7.687 12.932 -1.234 280 HD23 LEU 36 HD23 LEU 36 6.329 12.616 -2.318 281 H THR 37 H THR 37 5.486 12.443 3.435 282 HA THR 37 HA THR 37 3.173 14.197 3.280 283 HB THR 37 HB THR 37 2.668 13.417 5.551 284 HG1 THR 37 HG1 THR 37 5.302 12.746 5.467 285 HG21 THR 37 HG21 THR 37 3.465 11.164 3.720 286 HG22 THR 37 HG22 THR 37 1.993 12.105 3.560 287 HG23 THR 37 HG23 THR 37 2.234 11.094 4.983 288 H SER 38 H SER 38 6.287 14.735 3.641 289 HA SER 38 HA SER 38 6.260 16.460 5.940 290 HB2 SER 38 HB2 SER 38 8.163 14.946 5.545 291 HB3 SER 38 HB1 SER 38 8.498 15.784 4.035 292 HG SER 38 HG SER 38 9.017 16.499 6.632 293 H PHE 39 H PHE 39 5.708 18.427 5.777 294 HA PHE 39 HA PHE 39 6.727 20.020 3.574 295 HB2 PHE 39 HB2 PHE 39 4.084 20.394 5.033 296 HB3 PHE 39 HB1 PHE 39 4.806 21.597 3.977 297 HD1 PHE 39 HD1 PHE 39 2.598 18.876 4.186 298 HD2 PHE 39 HD2 PHE 39 5.294 20.834 1.549 299 HE1 PHE 39 HE1 PHE 39 1.460 17.867 2.286 300 HE2 PHE 39 HE2 PHE 39 4.158 19.818 -0.380 301 HZ PHE 39 HZ PHE 39 2.235 18.328 -0.016 302 H ASP 40 H ASP 40 8.477 20.573 4.649 303 HA ASP 40 HA ASP 40 8.388 21.197 7.440 304 HB2 ASP 40 HB2 ASP 40 10.348 20.145 6.104 305 HB3 ASP 40 HB1 ASP 40 10.714 21.792 5.612 306 H TYR 41 H TYR 41 9.788 23.325 7.895 307 HA TYR 41 HA TYR 41 7.980 25.431 6.992 308 HB2 TYR 41 HB2 TYR 41 8.710 26.534 9.150 309 HB3 TYR 41 HB1 TYR 41 7.774 25.040 9.257 310 HD1 TYR 41 HD1 TYR 41 8.596 23.147 10.408 311 HD2 TYR 41 HD2 TYR 41 11.217 26.376 9.549 312 HE1 TYR 41 HE1 TYR 41 10.342 22.091 11.784 313 HE2 TYR 41 HE2 TYR 41 12.960 25.336 10.905 314 HH TYR 41 HH TYR 41 13.027 23.742 12.816 315 H LYS 42 H LYS 42 11.344 24.525 7.264 316 HA LYS 42 HA LYS 42 12.055 27.238 6.553 317 HB2 LYS 42 HB2 LYS 42 14.232 26.870 7.328 318 HB3 LYS 42 HB1 LYS 42 13.210 25.878 8.354 319 HG2 LYS 42 HG2 LYS 42 14.920 24.862 6.074 320 HG3 LYS 42 HG1 LYS 42 15.336 24.779 7.784 321 HD2 LYS 42 HD2 LYS 42 13.272 23.402 8.094 322 HD3 LYS 42 HD1 LYS 42 13.111 23.382 6.338 323 HE2 LYS 42 HE2 LYS 42 15.361 22.358 6.177 324 HE3 LYS 42 HE1 LYS 42 15.459 22.337 7.934 325 HZ1 LYS 42 HZ1 LYS 42 13.395 20.893 7.871 326 HZ2 LYS 42 HZ2 LYS 42 14.791 20.199 7.259 327 HZ3 LYS 42 HZ3 LYS 42 13.637 20.776 6.200 328 H LEU 43 H LEU 43 10.878 25.077 4.872 329 HA LEU 43 HA LEU 43 12.507 24.462 2.678 330 HB2 LEU 43 HB2 LEU 43 9.558 25.085 2.656 331 HB3 LEU 43 HB1 LEU 43 10.429 24.251 1.396 332 HG LEU 43 HG LEU 43 9.877 23.246 4.177 333 HD11 LEU 43 HD11 LEU 43 8.501 21.594 3.018 334 HD12 LEU 43 HD12 LEU 43 8.811 22.418 1.483 335 HD13 LEU 43 HD13 LEU 43 7.933 23.242 2.779 336 HD21 LEU 43 HD21 LEU 43 12.042 22.464 3.393 337 HD22 LEU 43 HD22 LEU 43 11.306 21.893 1.891 338 HD23 LEU 43 HD23 LEU 43 10.869 21.151 3.433 339 H ARG 44 H ARG 44 13.702 26.111 1.860 340 HA ARG 44 HA ARG 44 12.223 28.409 0.758 341 HB2 ARG 44 HB2 ARG 44 15.074 28.317 1.775 342 HB3 ARG 44 HB1 ARG 44 14.394 29.665 0.883 343 HG2 ARG 44 HG2 ARG 44 13.319 28.670 3.518 344 HG3 ARG 44 HG1 ARG 44 14.453 30.009 3.342 345 HD2 ARG 44 HD2 ARG 44 11.695 29.878 2.119 346 HD3 ARG 44 HD1 ARG 44 12.128 30.776 3.571 347 HE ARG 44 HE ARG 44 13.753 31.959 2.073 348 HH11 ARG 44 HH11 ARG 44 10.615 30.784 0.887 349 HH12 ARG 44 HH12 ARG 44 10.487 31.907 -0.379 350 HH21 ARG 44 HH21 ARG 44 13.568 33.532 0.320 351 HH22 ARG 44 HH22 ARG 44 12.202 33.515 -0.702 352 H MET 45 H MET 45 14.071 25.687 0.103 353 HA MET 45 HA MET 45 14.383 26.510 -2.694 354 HB2 MET 45 HB2 MET 45 16.406 25.060 -0.981 355 HB3 MET 45 HB1 MET 45 16.518 25.190 -2.726 356 HG2 MET 45 HG2 MET 45 16.611 27.450 -0.741 357 HG3 MET 45 HG1 MET 45 17.962 26.785 -1.659 358 HE1 MET 45 HE1 MET 45 18.180 26.961 -4.279 359 HE2 MET 45 HE2 MET 45 17.060 27.837 -5.319 360 HE3 MET 45 HE3 MET 45 16.552 26.332 -4.551 361 H ALA 46 H ALA 46 12.333 25.005 -1.337 362 HA ALA 46 HA ALA 46 12.850 22.310 -2.387 363 HB1 ALA 46 HB1 ALA 46 11.337 21.477 -0.708 364 HB2 ALA 46 HB2 ALA 46 11.007 23.121 -0.171 365 HB3 ALA 46 HB3 ALA 46 12.619 22.429 0.055 366 H VAL 47 H VAL 47 11.657 24.751 -3.710 367 HA VAL 47 HA VAL 47 8.861 24.084 -4.052 368 HB VAL 47 HB VAL 47 10.592 25.885 -5.777 369 HG11 VAL 47 HG11 VAL 47 7.591 25.748 -5.478 370 HG12 VAL 47 HG12 VAL 47 8.526 25.235 -6.882 371 HG13 VAL 47 HG13 VAL 47 8.465 26.941 -6.438 372 HG21 VAL 47 HG21 VAL 47 9.677 27.772 -4.482 373 HG22 VAL 47 HG22 VAL 47 10.636 26.680 -3.483 374 HG23 VAL 47 HG23 VAL 47 8.875 26.625 -3.408 375 H GLU 48 H GLU 48 11.605 24.211 -6.239 376 HA GLU 48 HA GLU 48 11.119 21.557 -7.267 377 HB2 GLU 48 HB2 GLU 48 11.206 24.020 -9.036 378 HB3 GLU 48 HB1 GLU 48 11.467 22.392 -9.628 379 HG2 GLU 48 HG2 GLU 48 9.176 21.819 -8.884 380 HG3 GLU 48 HG1 GLU 48 8.945 23.517 -8.454 381 H ASN 49 H ASN 49 13.077 20.707 -6.947 382 HA ASN 49 HA ASN 49 15.434 22.238 -7.662 383 HB2 ASN 49 HB2 ASN 49 14.840 22.892 -5.323 384 HB3 ASN 49 HB1 ASN 49 14.937 21.211 -4.855 385 HD21 ASN 49 HD21 ASN 49 16.319 23.568 -3.946 386 HD22 ASN 49 HD22 ASN 49 18.015 23.296 -4.118 387 HA PRO 50 HA PRO 50 16.501 18.073 -9.009 388 HB2 PRO 50 HB2 PRO 50 19.272 18.425 -8.770 389 HB3 PRO 50 HB1 PRO 50 18.314 18.757 -10.214 390 HG2 PRO 50 HG2 PRO 50 19.263 20.631 -8.092 391 HG3 PRO 50 HG1 PRO 50 19.129 20.890 -9.842 392 HD2 PRO 50 HD2 PRO 50 17.358 21.941 -8.174 393 HD3 PRO 50 HD1 PRO 50 16.826 21.262 -9.728 394 H LYS 51 H LYS 51 17.992 19.542 -6.176 395 HA LYS 51 HA LYS 51 19.076 17.171 -5.098 396 HB2 LYS 51 HB2 LYS 51 18.381 19.743 -3.794 397 HB3 LYS 51 HB1 LYS 51 19.321 18.464 -3.028 398 HG2 LYS 51 HG2 LYS 51 21.003 18.653 -4.794 399 HG3 LYS 51 HG1 LYS 51 20.077 19.963 -5.529 400 HD2 LYS 51 HD2 LYS 51 21.302 19.943 -2.791 401 HD3 LYS 51 HD1 LYS 51 21.884 20.852 -4.201 402 HE2 LYS 51 HE2 LYS 51 19.717 22.014 -4.258 403 HE3 LYS 51 HE1 LYS 51 19.255 21.149 -2.807 404 HZ1 LYS 51 HZ1 LYS 51 21.514 23.058 -3.026 405 HZ2 LYS 51 HZ2 LYS 51 21.147 22.166 -1.656 406 HZ3 LYS 51 HZ3 LYS 51 20.066 23.335 -2.209 407 H GLN 52 H GLN 52 15.926 18.442 -5.083 408 HA GLN 52 HA GLN 52 14.948 17.262 -2.710 409 HB2 GLN 52 HB2 GLN 52 13.600 18.158 -5.239 410 HB3 GLN 52 HB1 GLN 52 12.700 17.439 -3.913 411 HG2 GLN 52 HG2 GLN 52 14.471 19.814 -3.531 412 HG3 GLN 52 HG1 GLN 52 12.778 19.977 -4.021 413 HE21 GLN 52 HE21 GLN 52 14.979 19.183 -1.446 414 HE22 GLN 52 HE22 GLN 52 13.792 19.094 -0.210 415 H GLN 53 H GLN 53 15.651 15.993 -5.841 416 HA GLN 53 HA GLN 53 13.996 13.667 -5.568 417 HB2 GLN 53 HB2 GLN 53 16.072 14.434 -7.614 418 HB3 GLN 53 HB1 GLN 53 15.284 12.868 -7.626 419 HG2 GLN 53 HG2 GLN 53 14.201 14.309 -9.216 420 HG3 GLN 53 HG1 GLN 53 13.104 14.000 -7.878 421 HE21 GLN 53 HE21 GLN 53 15.069 16.347 -9.468 422 HE22 GLN 53 HE22 GLN 53 14.382 17.743 -8.716 423 H GLN 54 H GLN 54 16.588 14.443 -3.911 424 HA GLN 54 HA GLN 54 18.382 12.303 -3.967 425 HB2 GLN 54 HB2 GLN 54 18.940 12.921 -1.677 426 HB3 GLN 54 HB1 GLN 54 18.752 14.358 -2.675 427 HG2 GLN 54 HG2 GLN 54 16.451 14.609 -1.778 428 HG3 GLN 54 HG1 GLN 54 16.750 13.260 -0.715 429 HE21 GLN 54 HE21 GLN 54 19.553 14.059 -0.278 430 HE22 GLN 54 HE22 GLN 54 19.505 15.422 0.764 431 H HIS 55 H HIS 55 15.269 12.644 -2.415 432 HA HIS 55 HA HIS 55 15.475 10.310 -0.863 433 HB2 HIS 55 HB2 HIS 55 12.967 10.537 -0.532 434 HB3 HIS 55 HB1 HIS 55 13.933 11.909 -0.031 435 HD1 HIS 55 HD1 HIS 55 11.879 13.514 -0.229 436 HD2 HIS 55 HD2 HIS 55 12.969 11.661 -3.759 437 HE1 HIS 55 HE1 HIS 55 10.547 14.645 -2.029 438 H LEU 56 H LEU 56 14.760 10.775 -4.142 439 HA LEU 56 HA LEU 56 13.384 8.276 -4.478 440 HB2 LEU 56 HB2 LEU 56 13.017 10.127 -6.075 441 HB3 LEU 56 HB1 LEU 56 14.705 10.110 -6.507 442 HG LEU 56 HG LEU 56 13.094 9.128 -8.197 443 HD11 LEU 56 HD11 LEU 56 15.446 8.659 -8.404 444 HD12 LEU 56 HD12 LEU 56 14.489 7.248 -8.854 445 HD13 LEU 56 HD13 LEU 56 15.294 7.304 -7.286 446 HD21 LEU 56 HD21 LEU 56 11.626 7.943 -6.702 447 HD22 LEU 56 HD22 LEU 56 12.944 6.882 -6.210 448 HD23 LEU 56 HD23 LEU 56 12.338 6.826 -7.867 449 H SER 57 H SER 57 16.667 9.488 -4.899 450 HA SER 57 HA SER 57 17.794 7.130 -5.850 451 HB2 SER 57 HB2 SER 57 19.086 9.257 -4.141 452 HB3 SER 57 HB1 SER 57 19.889 8.185 -5.296 453 HG SER 57 HG SER 57 18.510 9.129 -6.912 454 H LEU 58 H LEU 58 16.887 8.115 -2.673 455 HA LEU 58 HA LEU 58 18.280 5.966 -1.320 456 HB2 LEU 58 HB2 LEU 58 16.116 7.803 -0.291 457 HB3 LEU 58 HB1 LEU 58 17.204 6.844 0.683 458 HG LEU 58 HG LEU 58 18.036 9.106 -1.109 459 HD11 LEU 58 HD11 LEU 58 18.467 10.323 0.977 460 HD12 LEU 58 HD12 LEU 58 17.829 8.964 1.899 461 HD13 LEU 58 HD13 LEU 58 16.764 9.883 0.841 462 HD21 LEU 58 HD21 LEU 58 20.204 8.893 0.055 463 HD22 LEU 58 HD22 LEU 58 19.795 7.471 -0.900 464 HD23 LEU 58 HD23 LEU 58 19.606 7.439 0.855 465 H CYS 59 H CYS 59 14.898 6.819 -1.937 466 HA CYS 59 HA CYS 59 13.744 4.549 -0.770 467 HB2 CYS 59 HB2 CYS 59 12.708 6.773 -1.167 468 HB3 CYS 59 HB1 CYS 59 12.621 6.391 -2.878 469 H CYS 60 H CYS 60 14.368 5.352 -4.266 470 HA CYS 60 HA CYS 60 13.382 2.991 -5.360 471 HB2 CYS 60 HB2 CYS 60 13.827 4.941 -6.735 472 HB3 CYS 60 HB1 CYS 60 15.527 4.907 -6.318 473 H ASN 61 H ASN 61 16.435 3.712 -3.849 474 HA ASN 61 HA ASN 61 17.661 1.272 -4.782 475 HB2 ASN 61 HB2 ASN 61 18.878 3.344 -4.349 476 HB3 ASN 61 HB1 ASN 61 18.681 3.108 -2.608 477 HD21 ASN 61 HD21 ASN 61 19.832 1.347 -1.633 478 HD22 ASN 61 HD22 ASN 61 21.116 0.542 -2.449 479 H GLN 62 H GLN 62 15.811 2.295 -2.094 480 HA GLN 62 HA GLN 62 16.592 0.040 -0.508 481 HB2 GLN 62 HB2 GLN 62 15.964 2.188 0.574 482 HB3 GLN 62 HB1 GLN 62 14.333 2.001 -0.051 483 HG2 GLN 62 HG2 GLN 62 14.457 1.344 2.285 484 HG3 GLN 62 HG1 GLN 62 14.040 -0.026 1.252 485 HE21 GLN 62 HE21 GLN 62 14.809 -1.602 2.634 486 HE22 GLN 62 HE22 GLN 62 16.485 -1.779 2.967 487 H LEU 63 H LEU 63 13.863 0.981 -2.493 488 HA LEU 63 HA LEU 63 12.257 -1.248 -1.834 489 HB2 LEU 63 HB2 LEU 63 10.806 -0.530 -3.625 490 HB3 LEU 63 HB1 LEU 63 11.451 0.880 -2.808 491 HG LEU 63 HG LEU 63 13.167 0.955 -4.717 492 HD11 LEU 63 HD11 LEU 63 10.998 -0.586 -6.096 493 HD12 LEU 63 HD12 LEU 63 12.580 -1.214 -5.650 494 HD13 LEU 63 HD13 LEU 63 12.462 0.111 -6.819 495 HD21 LEU 63 HD21 LEU 63 11.648 2.225 -6.086 496 HD22 LEU 63 HD22 LEU 63 11.550 2.635 -4.363 497 HD23 LEU 63 HD23 LEU 63 10.288 1.636 -5.118 498 H GLN 64 H GLN 64 14.746 -0.722 -4.204 499 HA GLN 64 HA GLN 64 14.271 -3.055 -5.734 500 HB2 GLN 64 HB2 GLN 64 16.344 -2.533 -6.863 501 HB3 GLN 64 HB1 GLN 64 15.506 -1.034 -6.424 502 HG2 GLN 64 HG2 GLN 64 16.900 -0.552 -4.714 503 HG3 GLN 64 HG1 GLN 64 17.616 -2.162 -4.676 504 HE21 GLN 64 HE21 GLN 64 19.180 -2.678 -6.181 505 HE22 GLN 64 HE22 GLN 64 20.007 -1.493 -7.119 506 H GLU 65 H GLU 65 15.452 -2.734 -2.622 507 HA GLU 65 HA GLU 65 17.242 -4.959 -2.625 508 HB2 GLU 65 HB2 GLU 65 15.868 -3.443 -0.399 509 HB3 GLU 65 HB1 GLU 65 16.965 -4.780 -0.102 510 HG2 GLU 65 HG2 GLU 65 17.721 -2.273 -1.580 511 HG3 GLU 65 HG1 GLU 65 17.977 -2.528 0.146 512 H VAL 66 H VAL 66 13.917 -4.415 -2.468 513 HA VAL 66 HA VAL 66 13.089 -6.900 -1.209 514 HB VAL 66 HB VAL 66 11.360 -5.003 -2.823 515 HG11 VAL 66 HG11 VAL 66 9.568 -5.672 -1.354 516 HG12 VAL 66 HG12 VAL 66 10.680 -6.680 -0.432 517 HG13 VAL 66 HG13 VAL 66 10.316 -7.083 -2.110 518 HG21 VAL 66 HG21 VAL 66 10.890 -3.742 -0.781 519 HG22 VAL 66 HG22 VAL 66 12.556 -3.598 -1.320 520 HG23 VAL 66 HG23 VAL 66 12.161 -4.644 0.052 521 H GLU 67 H GLU 67 11.686 -8.441 -2.493 522 HA GLU 67 HA GLU 67 12.751 -9.458 -4.825 523 HB2 GLU 67 HB2 GLU 67 9.997 -9.520 -3.660 524 HB3 GLU 67 HB1 GLU 67 10.379 -10.411 -5.127 525 HG2 GLU 67 HG2 GLU 67 11.894 -11.744 -4.048 526 HG3 GLU 67 HG1 GLU 67 11.941 -10.743 -2.593 527 H LYS 68 H LYS 68 12.255 -9.230 -7.037 528 HA LYS 68 HA LYS 68 11.764 -6.570 -7.772 529 HB2 LYS 68 HB2 LYS 68 11.867 -7.256 -10.088 530 HB3 LYS 68 HB1 LYS 68 13.217 -7.853 -9.149 531 HG2 LYS 68 HG2 LYS 68 12.261 -10.069 -9.130 532 HG3 LYS 68 HG1 LYS 68 10.822 -9.482 -9.976 533 HD2 LYS 68 HD2 LYS 68 13.623 -9.306 -11.051 534 HD3 LYS 68 HD1 LYS 68 12.512 -10.622 -11.452 535 HE2 LYS 68 HE2 LYS 68 10.957 -8.980 -12.437 536 HE3 LYS 68 HE1 LYS 68 12.053 -7.672 -12.020 537 HZ1 LYS 68 HZ1 LYS 68 13.703 -8.637 -13.495 538 HZ2 LYS 68 HZ2 LYS 68 12.294 -8.299 -14.329 539 HZ3 LYS 68 HZ3 LYS 68 12.657 -9.889 -13.899 540 H GLN 69 H GLN 69 9.631 -9.256 -7.606 541 HA GLN 69 HA GLN 69 7.524 -7.907 -9.054 542 HB2 GLN 69 HB2 GLN 69 6.094 -9.773 -8.398 543 HB3 GLN 69 HB1 GLN 69 7.626 -10.374 -9.007 544 HG2 GLN 69 HG2 GLN 69 8.388 -10.818 -6.748 545 HG3 GLN 69 HG1 GLN 69 6.921 -10.112 -6.088 546 HE21 GLN 69 HE21 GLN 69 8.292 -12.859 -7.683 547 HE22 GLN 69 HE22 GLN 69 6.932 -13.897 -7.483 548 H CYS 70 H CYS 70 8.842 -7.586 -6.042 549 HA CYS 70 HA CYS 70 6.353 -6.703 -4.792 550 HB2 CYS 70 HB2 CYS 70 8.987 -7.456 -3.570 551 HB3 CYS 70 HB1 CYS 70 7.526 -7.042 -2.675 552 H GLN 71 H GLN 71 9.187 -5.628 -6.227 553 HA GLN 71 HA GLN 71 9.883 -3.312 -4.773 554 HB2 GLN 71 HB2 GLN 71 10.084 -3.975 -7.701 555 HB3 GLN 71 HB1 GLN 71 10.757 -2.500 -7.008 556 HG2 GLN 71 HG2 GLN 71 12.210 -3.785 -5.610 557 HG3 GLN 71 HG1 GLN 71 11.526 -5.306 -6.186 558 HE21 GLN 71 HE21 GLN 71 12.309 -2.483 -8.141 559 HE22 GLN 71 HE22 GLN 71 13.565 -3.238 -9.048 560 H CYS 72 H CYS 72 7.447 -3.778 -7.293 561 HA CYS 72 HA CYS 72 6.747 -1.037 -6.974 562 HB2 CYS 72 HB2 CYS 72 4.937 -1.508 -8.640 563 HB3 CYS 72 HB1 CYS 72 6.608 -1.725 -9.142 564 H GLU 73 H GLU 73 5.754 -3.983 -5.689 565 HA GLU 73 HA GLU 73 3.204 -3.251 -4.910 566 HB2 GLU 73 HB2 GLU 73 5.141 -5.160 -3.609 567 HB3 GLU 73 HB1 GLU 73 3.464 -5.026 -3.108 568 HG2 GLU 73 HG2 GLU 73 4.301 -5.750 -5.900 569 HG3 GLU 73 HG1 GLU 73 4.031 -6.950 -4.652 570 H ALA 74 H ALA 74 6.399 -2.809 -3.492 571 HA ALA 74 HA ALA 74 5.884 -1.872 -0.936 572 HB1 ALA 74 HB1 ALA 74 8.095 -0.883 -1.062 573 HB2 ALA 74 HB2 ALA 74 8.070 -0.996 -2.818 574 HB3 ALA 74 HB3 ALA 74 8.119 -2.463 -1.850 575 H ILE 75 H ILE 75 5.602 -0.411 -4.017 576 HA ILE 75 HA ILE 75 5.678 2.319 -3.324 577 HB ILE 75 HB ILE 75 4.330 0.934 -5.620 578 HG12 ILE 75 HG12 ILE 75 6.593 0.306 -5.642 579 HG13 ILE 75 HG11 ILE 75 6.428 1.546 -6.885 580 HG21 ILE 75 HG21 ILE 75 4.390 2.998 -6.792 581 HG22 ILE 75 HG22 ILE 75 5.222 3.780 -5.450 582 HG23 ILE 75 HG23 ILE 75 3.561 3.220 -5.252 583 HD11 ILE 75 HD11 ILE 75 8.454 1.852 -5.740 584 HD12 ILE 75 HD12 ILE 75 7.678 1.690 -4.178 585 HD13 ILE 75 HD13 ILE 75 7.386 3.145 -5.159 586 H LYS 76 H LYS 76 3.160 -0.142 -3.435 587 HA LYS 76 HA LYS 76 0.969 1.679 -3.419 588 HB2 LYS 76 HB2 LYS 76 1.024 -1.192 -2.467 589 HB3 LYS 76 HB1 LYS 76 -0.390 -0.279 -2.952 590 HG2 LYS 76 HG2 LYS 76 1.836 -1.277 -4.727 591 HG3 LYS 76 HG1 LYS 76 0.178 -1.867 -4.677 592 HD2 LYS 76 HD2 LYS 76 1.101 0.865 -5.608 593 HD3 LYS 76 HD1 LYS 76 0.510 -0.443 -6.624 594 HE2 LYS 76 HE2 LYS 76 -1.088 1.018 -4.529 595 HE3 LYS 76 HE1 LYS 76 -1.168 1.306 -6.261 596 HZ1 LYS 76 HZ1 LYS 76 -1.945 -1.247 -4.906 597 HZ2 LYS 76 HZ2 LYS 76 -2.024 -0.940 -6.556 598 HZ3 LYS 76 HZ3 LYS 76 -2.978 -0.070 -5.503 599 H GLN 77 H GLN 77 2.836 -0.163 -1.210 600 HA GLN 77 HA GLN 77 1.368 0.242 1.133 601 HB2 GLN 77 HB2 GLN 77 4.348 -0.008 1.071 602 HB3 GLN 77 HB1 GLN 77 3.256 -0.462 2.363 603 HG2 GLN 77 HG2 GLN 77 2.313 -2.112 0.468 604 HG3 GLN 77 HG1 GLN 77 3.896 -1.829 -0.163 605 HE21 GLN 77 HE21 GLN 77 5.176 -1.407 2.366 606 HE22 GLN 77 HE22 GLN 77 5.348 -2.974 3.084 607 H VAL 78 H VAL 78 3.944 2.163 -0.340 608 HA VAL 78 HA VAL 78 4.451 3.924 1.747 609 HB VAL 78 HB VAL 78 4.347 4.870 -1.126 610 HG11 VAL 78 HG11 VAL 78 6.028 5.781 1.160 611 HG12 VAL 78 HG12 VAL 78 4.587 6.566 0.533 612 HG13 VAL 78 HG13 VAL 78 6.027 6.439 -0.487 613 HG21 VAL 78 HG21 VAL 78 6.647 3.513 0.239 614 HG22 VAL 78 HG22 VAL 78 6.654 4.190 -1.393 615 HG23 VAL 78 HG23 VAL 78 5.641 2.791 -1.011 616 H VAL 79 H VAL 79 2.022 3.983 -0.791 617 HA VAL 79 HA VAL 79 1.015 6.577 -0.238 618 HB VAL 79 HB VAL 79 -0.532 4.296 -1.467 619 HG11 VAL 79 HG11 VAL 79 -1.834 6.249 -0.848 620 HG12 VAL 79 HG12 VAL 79 -1.784 6.055 -2.605 621 HG13 VAL 79 HG13 VAL 79 -0.781 7.278 -1.815 622 HG21 VAL 79 HG21 VAL 79 0.269 5.099 -3.668 623 HG22 VAL 79 HG22 VAL 79 1.559 4.456 -2.656 624 HG23 VAL 79 HG23 VAL 79 1.372 6.204 -2.836 625 H GLU 80 H GLU 80 0.042 3.329 0.569 626 HA GLU 80 HA GLU 80 -2.318 3.835 1.937 627 HB2 GLU 80 HB2 GLU 80 -0.322 1.633 2.456 628 HB3 GLU 80 HB1 GLU 80 -2.001 1.639 2.972 629 HG2 GLU 80 HG2 GLU 80 -2.726 1.627 0.644 630 HG3 GLU 80 HG1 GLU 80 -1.043 1.648 0.119 631 H GLN 81 H GLN 81 0.960 3.445 3.253 632 HA GLN 81 HA GLN 81 0.099 3.974 5.929 633 HB2 GLN 81 HB2 GLN 81 2.505 3.971 6.501 634 HB3 GLN 81 HB1 GLN 81 2.034 2.558 5.568 635 HG2 GLN 81 HG2 GLN 81 2.943 3.673 3.532 636 HG3 GLN 81 HG1 GLN 81 3.487 4.981 4.562 637 HE21 GLN 81 HE21 GLN 81 4.327 3.268 6.756 638 HE22 GLN 81 HE22 GLN 81 5.770 2.507 6.188 639 H ALA 82 H ALA 82 1.422 5.995 3.380 640 HA ALA 82 HA ALA 82 2.009 8.158 5.119 641 HB1 ALA 82 HB1 ALA 82 1.596 8.210 2.133 642 HB2 ALA 82 HB2 ALA 82 3.127 7.893 2.945 643 HB3 ALA 82 HB3 ALA 82 2.355 9.472 3.099 644 H GLN 83 H GLN 83 -0.785 7.295 3.190 645 HA GLN 83 HA GLN 83 -2.032 9.813 3.732 646 HB2 GLN 83 HB2 GLN 83 -4.011 8.944 2.604 647 HB3 GLN 83 HB1 GLN 83 -2.575 8.614 1.655 648 HG2 GLN 83 HG2 GLN 83 -2.601 6.289 2.552 649 HG3 GLN 83 HG1 GLN 83 -4.141 6.659 3.320 650 HE21 GLN 83 HE21 GLN 83 -5.048 8.333 1.112 651 HE22 GLN 83 HE22 GLN 83 -5.407 7.280 -0.197 652 H LYS 84 H LYS 84 -2.156 6.603 5.136 653 HA LYS 84 HA LYS 84 -4.411 7.162 6.749 654 HB2 LYS 84 HB2 LYS 84 -3.955 5.041 7.887 655 HB3 LYS 84 HB1 LYS 84 -3.778 4.871 6.152 656 HG2 LYS 84 HG2 LYS 84 -1.993 3.626 6.946 657 HG3 LYS 84 HG1 LYS 84 -1.287 5.208 6.601 658 HD2 LYS 84 HD2 LYS 84 -1.290 5.825 8.820 659 HD3 LYS 84 HD1 LYS 84 -2.192 4.381 9.336 660 HE2 LYS 84 HE2 LYS 84 -0.280 3.017 8.492 661 HE3 LYS 84 HE1 LYS 84 0.589 4.513 8.166 662 HZ1 LYS 84 HZ1 LYS 84 1.261 3.584 10.248 663 HZ2 LYS 84 HZ2 LYS 84 -0.301 3.537 10.827 664 HZ3 LYS 84 HZ3 LYS 84 0.458 5.031 10.547 665 H GLN 85 H GLN 85 -1.022 7.724 7.131 666 HA GLN 85 HA GLN 85 -1.184 8.112 9.939 667 HB2 GLN 85 HB2 GLN 85 1.149 8.693 9.869 668 HB3 GLN 85 HB1 GLN 85 0.859 7.496 8.599 669 HG2 GLN 85 HG2 GLN 85 0.943 9.105 6.909 670 HG3 GLN 85 HG1 GLN 85 0.962 10.418 8.078 671 HE21 GLN 85 HE21 GLN 85 2.787 9.848 6.000 672 HE22 GLN 85 HE22 GLN 85 4.345 9.651 6.704 673 H LEU 86 H LEU 86 -1.523 10.183 7.147 674 HA LEU 86 HA LEU 86 -1.767 12.503 8.814 675 HB2 LEU 86 HB2 LEU 86 -1.754 11.994 5.903 676 HB3 LEU 86 HB1 LEU 86 -2.687 13.385 6.397 677 HG LEU 86 HG LEU 86 -0.428 13.996 5.729 678 HD11 LEU 86 HD11 LEU 86 -0.888 14.360 8.680 679 HD12 LEU 86 HD12 LEU 86 -1.600 15.329 7.394 680 HD13 LEU 86 HD13 LEU 86 0.149 15.351 7.648 681 HD21 LEU 86 HD21 LEU 86 0.782 11.984 6.381 682 HD22 LEU 86 HD22 LEU 86 0.454 12.348 8.079 683 HD23 LEU 86 HD23 LEU 86 1.490 13.413 7.142 684 H GLN 87 H GLN 87 -3.876 10.198 7.335 685 HA GLN 87 HA GLN 87 -6.356 11.424 7.626 686 HB2 GLN 87 HB2 GLN 87 -5.885 9.270 6.469 687 HB3 GLN 87 HB1 GLN 87 -5.663 8.515 8.038 688 HG2 GLN 87 HG2 GLN 87 -7.996 9.024 8.592 689 HG3 GLN 87 HG1 GLN 87 -8.205 9.730 6.989 690 HE21 GLN 87 HE21 GLN 87 -7.728 6.842 8.773 691 HE22 GLN 87 HE22 GLN 87 -8.165 5.732 7.523 692 H GLN 88 H GLN 88 -4.395 9.598 9.901 693 HA GLN 88 HA GLN 88 -6.312 9.797 12.063 694 HB2 GLN 88 HB2 GLN 88 -4.656 8.623 13.386 695 HB3 GLN 88 HB1 GLN 88 -4.875 7.834 11.824 696 HG2 GLN 88 HG2 GLN 88 -2.824 8.980 11.035 697 HG3 GLN 88 HG1 GLN 88 -2.590 9.591 12.668 698 HE21 GLN 88 HE21 GLN 88 -1.930 8.180 14.270 699 HE22 GLN 88 HE22 GLN 88 -1.350 6.594 13.932 700 H GLY 89 H GLY 89 -4.201 11.870 10.712 701 HA2 GLY 89 HA2 GLY 89 -3.326 13.103 13.188 702 HA3 GLY 89 HA1 GLY 89 -2.768 13.503 11.568 703 H GLN 90 H GLN 90 -3.206 15.529 11.357 704 HA GLN 90 HA GLN 90 -5.666 16.684 12.437 705 HB2 GLN 90 HB2 GLN 90 -3.295 18.006 11.145 706 HB3 GLN 90 HB1 GLN 90 -4.634 18.831 11.926 707 HG2 GLN 90 HG2 GLN 90 -4.028 17.821 14.047 708 HG3 GLN 90 HG1 GLN 90 -2.697 16.969 13.265 709 HE21 GLN 90 HE21 GLN 90 -0.938 18.120 12.568 710 HE22 GLN 90 HE22 GLN 90 -0.572 19.710 13.129 711 H GLY 91 H GLY 91 -4.403 15.626 9.459 712 HA2 GLY 91 HA2 GLY 91 -6.403 15.765 7.762 713 HA3 GLY 91 HA1 GLY 91 -5.956 17.471 7.857 714 H GLY 92 H GLY 92 -4.632 18.081 6.242 715 HA2 GLY 92 HA2 GLY 92 -2.676 18.152 5.172 716 HA3 GLY 92 HA1 GLY 92 -2.143 16.687 5.959 717 H GLN 93 H GLN 93 -4.519 15.225 4.970 718 HA GLN 93 HA GLN 93 -3.434 13.932 2.810 719 HB2 GLN 93 HB2 GLN 93 -6.341 14.260 3.474 720 HB3 GLN 93 HB1 GLN 93 -5.740 13.161 2.248 721 HG2 GLN 93 HG2 GLN 93 -4.446 11.981 3.974 722 HG3 GLN 93 HG1 GLN 93 -5.124 13.063 5.191 723 HE21 GLN 93 HE21 GLN 93 -7.751 13.155 3.915 724 HE22 GLN 93 HE22 GLN 93 -8.470 11.621 4.222 725 H GLN 94 H GLN 94 -5.371 16.800 2.687 726 HA GLN 94 HA GLN 94 -5.759 16.722 -0.161 727 HB2 GLN 94 HB2 GLN 94 -6.691 18.959 0.088 728 HB3 GLN 94 HB1 GLN 94 -7.361 17.862 1.285 729 HG2 GLN 94 HG2 GLN 94 -5.785 18.745 2.938 730 HG3 GLN 94 HG1 GLN 94 -5.171 19.851 1.729 731 HE21 GLN 94 HE21 GLN 94 -8.563 19.015 2.099 732 HE22 GLN 94 HE22 GLN 94 -9.073 20.578 2.626 733 H GLN 95 H GLN 95 -3.457 18.259 1.999 734 HA GLN 95 HA GLN 95 -2.304 19.770 -0.175 735 HB2 GLN 95 HB2 GLN 95 -0.743 20.673 1.511 736 HB3 GLN 95 HB1 GLN 95 -2.449 20.929 1.960 737 HG2 GLN 95 HG2 GLN 95 -2.252 19.074 3.473 738 HG3 GLN 95 HG1 GLN 95 -0.539 18.914 3.087 739 HE21 GLN 95 HE21 GLN 95 0.134 19.398 5.178 740 HE22 GLN 95 HE22 GLN 95 -0.001 20.972 5.866 741 H VAL 96 H VAL 96 -1.493 17.201 1.939 742 HA VAL 96 HA VAL 96 1.058 16.483 0.982 743 HB VAL 96 HB VAL 96 -1.112 14.817 2.294 744 HG11 VAL 96 HG11 VAL 96 0.574 13.212 2.873 745 HG12 VAL 96 HG12 VAL 96 1.766 14.061 1.864 746 HG13 VAL 96 HG13 VAL 96 0.353 13.298 1.126 747 HG21 VAL 96 HG21 VAL 96 1.382 16.055 3.422 748 HG22 VAL 96 HG22 VAL 96 0.209 15.062 4.298 749 HG23 VAL 96 HG23 VAL 96 -0.275 16.624 3.643 750 H GLN 97 H GLN 97 -2.064 16.052 -0.384 751 HA GLN 97 HA GLN 97 -1.742 13.743 -1.887 752 HB2 GLN 97 HB2 GLN 97 -3.856 15.046 -1.673 753 HB3 GLN 97 HB1 GLN 97 -3.166 16.196 -2.821 754 HG2 GLN 97 HG2 GLN 97 -3.068 14.534 -4.528 755 HG3 GLN 97 HG1 GLN 97 -3.596 13.283 -3.424 756 HE21 GLN 97 HE21 GLN 97 -5.784 13.222 -2.797 757 HE22 GLN 97 HE22 GLN 97 -6.996 14.102 -3.646 758 H GLN 98 H GLN 98 -0.574 16.990 -2.647 759 HA GLN 98 HA GLN 98 0.226 16.462 -5.320 760 HB2 GLN 98 HB2 GLN 98 1.497 18.520 -5.181 761 HB3 GLN 98 HB1 GLN 98 -0.088 18.752 -4.463 762 HG2 GLN 98 HG2 GLN 98 0.895 18.466 -2.244 763 HG3 GLN 98 HG1 GLN 98 2.485 18.283 -2.977 764 HE21 GLN 98 HE21 GLN 98 -0.047 20.441 -2.189 765 HE22 GLN 98 HE22 GLN 98 0.786 21.915 -2.513 766 H MET 99 H MET 99 1.571 15.546 -2.331 767 HA MET 99 HA MET 99 4.276 15.280 -3.502 768 HB2 MET 99 HB2 MET 99 3.559 16.465 -1.194 769 HB3 MET 99 HB1 MET 99 3.683 14.809 -0.683 770 HG2 MET 99 HG2 MET 99 5.769 15.938 -0.258 771 HG3 MET 99 HG1 MET 99 5.923 14.590 -1.391 772 HE1 MET 99 HE1 MET 99 8.383 15.560 -1.937 773 HE2 MET 99 HE2 MET 99 8.112 16.936 -0.867 774 HE3 MET 99 HE3 MET 99 8.669 17.200 -2.520 775 H VAL 100 H VAL 100 1.864 13.638 -1.573 776 HA VAL 100 HA VAL 100 3.194 11.162 -1.612 777 HB VAL 100 HB VAL 100 1.376 11.644 -0.001 778 HG11 VAL 100 HG11 VAL 100 -0.129 12.774 -1.422 779 HG12 VAL 100 HG12 VAL 100 -0.961 11.418 -0.642 780 HG13 VAL 100 HG13 VAL 100 -0.466 11.306 -2.342 781 HG21 VAL 100 HG21 VAL 100 0.903 9.188 -1.670 782 HG22 VAL 100 HG22 VAL 100 0.298 9.432 -0.026 783 HG23 VAL 100 HG23 VAL 100 2.040 9.345 -0.329 784 H LYS 101 H LYS 101 1.179 12.669 -4.055 785 HA LYS 101 HA LYS 101 0.749 10.430 -5.671 786 HB2 LYS 101 HB2 LYS 101 0.608 11.921 -7.559 787 HB3 LYS 101 HB1 LYS 101 -0.214 12.630 -6.169 788 HG2 LYS 101 HG2 LYS 101 1.273 14.320 -5.977 789 HG3 LYS 101 HG1 LYS 101 2.617 13.344 -6.568 790 HD2 LYS 101 HD2 LYS 101 2.116 15.031 -8.199 791 HD3 LYS 101 HD1 LYS 101 1.682 13.424 -8.784 792 HE2 LYS 101 HE2 LYS 101 -0.668 13.842 -8.246 793 HE3 LYS 101 HE1 LYS 101 -0.244 15.448 -7.647 794 HZ1 LYS 101 HZ1 LYS 101 -1.109 15.560 -9.881 795 HZ2 LYS 101 HZ2 LYS 101 0.063 14.483 -10.429 796 HZ3 LYS 101 HZ3 LYS 101 0.519 16.008 -9.886 797 H LYS 102 H LYS 102 3.760 12.134 -4.988 798 HA LYS 102 HA LYS 102 5.150 11.309 -7.252 799 HB2 LYS 102 HB2 LYS 102 6.011 12.093 -4.501 800 HB3 LYS 102 HB1 LYS 102 7.144 11.706 -5.792 801 HG2 LYS 102 HG2 LYS 102 6.421 13.556 -7.097 802 HG3 LYS 102 HG1 LYS 102 5.027 13.824 -6.049 803 HD2 LYS 102 HD2 LYS 102 6.869 15.429 -5.677 804 HD3 LYS 102 HD1 LYS 102 6.437 14.502 -4.243 805 HE2 LYS 102 HE2 LYS 102 8.760 14.630 -4.341 806 HE3 LYS 102 HE1 LYS 102 8.331 12.986 -4.712 807 HZ1 LYS 102 HZ1 LYS 102 8.670 13.459 -7.116 808 HZ2 LYS 102 HZ2 LYS 102 10.059 13.750 -6.230 809 HZ3 LYS 102 HZ3 LYS 102 9.140 15.033 -6.737 810 H ALA 103 H ALA 103 4.211 9.772 -4.332 811 HA ALA 103 HA ALA 103 6.006 7.588 -4.326 812 HB1 ALA 103 HB1 ALA 103 3.131 7.640 -3.385 813 HB2 ALA 103 HB2 ALA 103 4.546 8.018 -2.402 814 HB3 ALA 103 HB3 ALA 103 4.306 6.380 -3.009 815 H GLN 104 H GLN 104 3.092 8.328 -6.048 816 HA GLN 104 HA GLN 104 2.685 5.729 -7.195 817 HB2 GLN 104 HB2 GLN 104 1.602 8.428 -7.992 818 HB3 GLN 104 HB1 GLN 104 0.950 6.872 -8.475 819 HG2 GLN 104 HG2 GLN 104 0.410 6.404 -6.092 820 HG3 GLN 104 HG1 GLN 104 1.028 7.994 -5.680 821 HE21 GLN 104 HE21 GLN 104 -1.556 6.236 -7.135 822 HE22 GLN 104 HE22 GLN 104 -2.634 7.573 -7.289 823 H MET 105 H MET 105 4.619 8.469 -7.848 824 HA MET 105 HA MET 105 5.080 7.853 -10.648 825 HB2 MET 105 HB2 MET 105 6.627 9.654 -8.864 826 HB3 MET 105 HB1 MET 105 6.662 9.629 -10.606 827 HG2 MET 105 HG2 MET 105 4.277 10.252 -10.613 828 HG3 MET 105 HG1 MET 105 4.363 10.471 -8.889 829 HE1 MET 105 HE1 MET 105 4.359 14.195 -10.272 830 HE2 MET 105 HE2 MET 105 3.549 13.046 -9.210 831 HE3 MET 105 HE3 MET 105 3.522 12.797 -10.960 832 H LEU 106 H LEU 106 6.265 6.875 -7.650 833 HA LEU 106 HA LEU 106 8.987 6.561 -8.060 834 HB2 LEU 106 HB2 LEU 106 7.132 4.847 -6.450 835 HB3 LEU 106 HB1 LEU 106 8.868 4.673 -6.401 836 HG LEU 106 HG LEU 106 7.293 7.099 -5.589 837 HD11 LEU 106 HD11 LEU 106 6.973 5.241 -4.044 838 HD12 LEU 106 HD12 LEU 106 7.972 6.482 -3.290 839 HD13 LEU 106 HD13 LEU 106 8.717 5.017 -3.924 840 HD21 LEU 106 HD21 LEU 106 10.241 6.525 -5.352 841 HD22 LEU 106 HD22 LEU 106 9.412 7.894 -4.614 842 HD23 LEU 106 HD23 LEU 106 9.479 7.752 -6.369 843 HA PRO 107 HA PRO 107 8.274 2.152 -9.944 844 HB2 PRO 107 HB2 PRO 107 5.883 1.824 -11.236 845 HB3 PRO 107 HB1 PRO 107 6.196 1.241 -9.597 846 HG2 PRO 107 HG2 PRO 107 4.828 3.744 -10.489 847 HG3 PRO 107 HG1 PRO 107 4.373 2.616 -9.196 848 HD2 PRO 107 HD2 PRO 107 5.620 4.931 -8.621 849 HD3 PRO 107 HD1 PRO 107 5.999 3.449 -7.739 850 H ASN 108 H ASN 108 7.079 5.179 -11.242 851 HA ASN 108 HA ASN 108 7.490 4.379 -13.930 852 HB2 ASN 108 HB2 ASN 108 6.882 7.044 -12.648 853 HB3 ASN 108 HB1 ASN 108 6.781 6.651 -14.355 854 HD21 ASN 108 HD21 ASN 108 4.712 7.621 -12.531 855 HD22 ASN 108 HD22 ASN 108 3.430 6.475 -12.572 856 H GLN 109 H GLN 109 8.981 6.372 -11.448 857 HA GLN 109 HA GLN 109 11.135 7.279 -13.150 858 HB2 GLN 109 HB2 GLN 109 10.610 7.605 -10.204 859 HB3 GLN 109 HB1 GLN 109 12.010 8.284 -11.016 860 HG2 GLN 109 HG2 GLN 109 9.161 8.903 -11.755 861 HG3 GLN 109 HG1 GLN 109 10.140 9.878 -10.663 862 HE21 GLN 109 HE21 GLN 109 9.620 8.949 -13.989 863 HE22 GLN 109 HE22 GLN 109 10.684 10.113 -14.672 864 H CYS 110 H CYS 110 10.728 4.824 -10.691 865 HA CYS 110 HA CYS 110 13.573 4.200 -10.596 866 HB2 CYS 110 HB2 CYS 110 11.952 4.124 -8.606 867 HB3 CYS 110 HB1 CYS 110 11.244 2.735 -9.347 868 H ASN 111 H ASN 111 11.166 3.656 -12.687 869 HA ASN 111 HA ASN 111 10.573 2.221 -14.276 870 HB2 ASN 111 HB2 ASN 111 12.969 2.847 -14.945 871 HB3 ASN 111 HB1 ASN 111 13.445 1.284 -14.307 872 HD21 ASN 111 HD21 ASN 111 11.684 2.926 -16.803 873 HD22 ASN 111 HD22 ASN 111 11.491 1.588 -17.862 874 H LEU 112 H LEU 112 9.581 1.309 -12.358 875 HA LEU 112 HA LEU 112 10.442 -1.388 -11.699 876 HB2 LEU 112 HB2 LEU 112 8.107 0.187 -10.629 877 HB3 LEU 112 HB1 LEU 112 8.675 -1.358 -10.029 878 HG LEU 112 HG LEU 112 10.192 1.227 -9.946 879 HD11 LEU 112 HD11 LEU 112 8.929 -0.382 -7.727 880 HD12 LEU 112 HD12 LEU 112 8.417 1.219 -8.276 881 HD13 LEU 112 HD13 LEU 112 9.978 1.009 -7.507 882 HD21 LEU 112 HD21 LEU 112 11.857 0.007 -8.663 883 HD22 LEU 112 HD22 LEU 112 11.690 -0.647 -10.282 884 HD23 LEU 112 HD23 LEU 112 10.968 -1.494 -8.906 885 H GLN 113 H GLN 113 8.868 -3.096 -11.702 886 HA GLN 113 HA GLN 113 7.821 -3.389 -14.336 887 HB2 GLN 113 HB2 GLN 113 7.490 -5.279 -12.019 888 HB3 GLN 113 HB1 GLN 113 7.473 -5.671 -13.732 889 HG2 GLN 113 HG2 GLN 113 9.834 -4.711 -12.146 890 HG3 GLN 113 HG1 GLN 113 9.563 -6.365 -12.685 891 HE21 GLN 113 HE21 GLN 113 8.579 -5.493 -15.324 892 HE22 GLN 113 HE22 GLN 113 9.981 -4.972 -16.180 893 H CYS 114 H CYS 114 6.484 -1.410 -13.036 894 HA CYS 114 HA CYS 114 3.738 -2.158 -13.120 895 HB2 CYS 114 HB2 CYS 114 5.225 -1.421 -10.703 896 HB3 CYS 114 HB1 CYS 114 3.497 -1.014 -10.770 897 H SER 115 H SER 115 2.517 -0.241 -13.388 898 HA SER 115 HA SER 115 3.997 2.253 -13.421 899 HB2 SER 115 HB2 SER 115 2.646 2.720 -15.588 900 HB3 SER 115 HB1 SER 115 4.088 1.710 -15.699 901 HG SER 115 HG SER 115 2.947 0.034 -16.045 902 H ILE 116 H ILE 116 2.901 3.908 -12.555 903 HA ILE 116 HA ILE 116 0.054 3.502 -12.089 904 HB ILE 116 HB ILE 116 1.955 5.100 -10.321 905 HG12 ILE 116 HG12 ILE 116 0.568 2.478 -9.732 906 HG13 ILE 116 HG11 ILE 116 2.277 2.613 -10.144 907 HG21 ILE 116 HG21 ILE 116 -0.024 5.180 -8.794 908 HG22 ILE 116 HG22 ILE 116 -0.984 4.430 -10.066 909 HG23 ILE 116 HG23 ILE 116 -0.284 6.027 -10.321 910 HD11 ILE 116 HD11 ILE 116 0.907 3.773 -7.723 911 HD12 ILE 116 HD12 ILE 116 2.632 3.887 -8.099 912 HD13 ILE 116 HD13 ILE 116 1.905 2.319 -7.761 Start of MODEL 15 1 H1 GLY 1 H GLY 1 -3.840 -15.463 -10.602 2 H2 GLY 1 HT1 GLY 1 -3.673 -15.297 -10.553 3 H3 GLY 1 HT2 GLY 1 -5.304 -15.417 -10.816 4 HA2 GLY 1 HA1 GLY 1 -5.468 -13.006 -11.052 5 HA3 GLY 1 HA2 GLY 1 -3.708 -12.964 -10.950 6 H ARG 2 H ARG 2 -3.449 -12.211 -13.063 7 HA ARG 2 HA ARG 2 -4.689 -13.578 -15.270 8 HB2 ARG 2 HB2 ARG 2 -2.439 -11.546 -15.289 9 HB3 ARG 2 HB1 ARG 2 -3.388 -12.053 -16.684 10 HG2 ARG 2 HG2 ARG 2 -5.411 -11.171 -15.577 11 HG3 ARG 2 HG1 ARG 2 -4.365 -10.640 -14.256 12 HD2 ARG 2 HD2 ARG 2 -3.215 -9.100 -15.729 13 HD3 ARG 2 HD1 ARG 2 -4.144 -9.680 -17.116 14 HE ARG 2 HE ARG 2 -6.000 -8.895 -15.264 15 HH11 ARG 2 HH11 ARG 2 -3.456 -7.237 -17.096 16 HH12 ARG 2 HH12 ARG 2 -4.228 -5.725 -17.059 17 HH21 ARG 2 HH21 ARG 2 -7.059 -6.801 -15.210 18 HH22 ARG 2 HH22 ARG 2 -6.322 -5.461 -15.938 19 H CYS 3 H CYS 3 -3.659 -14.786 -16.871 20 HA CYS 3 HA CYS 3 -1.135 -15.979 -15.991 21 HB2 CYS 3 HB2 CYS 3 -3.447 -17.467 -17.240 22 HB3 CYS 3 HB1 CYS 3 -1.902 -18.119 -16.740 23 H THR 4 H THR 4 0.238 -16.580 -17.634 24 HA THR 4 HA THR 4 0.013 -15.169 -20.069 25 HB THR 4 HB THR 4 2.027 -16.449 -20.758 26 HG1 THR 4 HG1 THR 4 2.843 -18.010 -19.512 27 HG21 THR 4 HG21 THR 4 2.135 -15.431 -17.915 28 HG22 THR 4 HG22 THR 4 2.338 -14.468 -19.380 29 HG23 THR 4 HG23 THR 4 3.532 -15.695 -18.961 30 H LYS 5 H LYS 5 -0.146 -16.129 -22.190 31 HA LYS 5 HA LYS 5 -2.052 -18.297 -22.156 32 HB2 LYS 5 HB2 LYS 5 -1.186 -16.578 -24.487 33 HB3 LYS 5 HB1 LYS 5 -2.605 -17.612 -24.398 34 HG2 LYS 5 HG2 LYS 5 -2.127 -15.092 -22.802 35 HG3 LYS 5 HG1 LYS 5 -3.254 -15.286 -24.142 36 HD2 LYS 5 HD2 LYS 5 -4.524 -16.914 -22.837 37 HD3 LYS 5 HD1 LYS 5 -3.381 -16.761 -21.516 38 HE2 LYS 5 HE2 LYS 5 -5.028 -14.463 -22.572 39 HE3 LYS 5 HE1 LYS 5 -5.489 -15.432 -21.181 40 HZ1 LYS 5 HZ1 LYS 5 -4.392 -13.428 -20.459 41 HZ2 LYS 5 HZ2 LYS 5 -3.057 -13.727 -21.414 42 HZ3 LYS 5 HZ3 LYS 5 -3.389 -14.718 -20.096 43 H SER 6 H SER 6 -0.293 -19.711 -21.479 44 HA SER 6 HA SER 6 0.924 -21.007 -23.756 45 HB2 SER 6 HB2 SER 6 2.623 -19.409 -22.850 46 HB3 SER 6 HB1 SER 6 2.448 -20.172 -21.270 47 HG SER 6 HG SER 6 3.759 -21.024 -23.547 48 H ILE 7 H ILE 7 1.811 -23.161 -22.865 49 HA ILE 7 HA ILE 7 0.274 -24.027 -20.539 50 HB ILE 7 HB ILE 7 0.611 -25.670 -23.084 51 HG12 ILE 7 HG12 ILE 7 -2.031 -25.600 -22.959 52 HG13 ILE 7 HG11 ILE 7 -1.737 -24.163 -21.983 53 HG21 ILE 7 HG21 ILE 7 0.672 -27.077 -21.117 54 HG22 ILE 7 HG22 ILE 7 -0.832 -27.338 -22.003 55 HG23 ILE 7 HG23 ILE 7 -0.832 -26.365 -20.533 56 HD11 ILE 7 HD11 ILE 7 -0.826 -24.552 -24.824 57 HD12 ILE 7 HD12 ILE 7 -0.568 -23.120 -23.826 58 HD13 ILE 7 HD13 ILE 7 -2.205 -23.584 -24.289 59 HA PRO 8 HA PRO 8 0.506 -24.887 -18.742 60 HB2 PRO 8 HB2 PRO 8 2.474 -24.340 -16.673 61 HB3 PRO 8 HB1 PRO 8 1.296 -25.652 -16.777 62 HG2 PRO 8 HG2 PRO 8 3.968 -26.060 -17.008 63 HG3 PRO 8 HG1 PRO 8 2.760 -27.064 -17.826 64 HD2 PRO 8 HD2 PRO 8 4.385 -24.797 -18.924 65 HD3 PRO 8 HD1 PRO 8 4.023 -26.375 -19.656 66 HA PRO 9 HA PRO 9 0.680 -20.472 -18.902 67 HB2 PRO 9 HB2 PRO 9 -1.380 -19.893 -17.265 68 HB3 PRO 9 HB1 PRO 9 -1.619 -20.537 -18.896 69 HG2 PRO 9 HG2 PRO 9 -1.677 -21.937 -16.263 70 HG3 PRO 9 HG1 PRO 9 -2.765 -22.110 -17.657 71 HD2 PRO 9 HD2 PRO 9 -0.761 -23.858 -17.124 72 HD3 PRO 9 HD1 PRO 9 -1.312 -23.494 -18.774 73 H ILE 10 H ILE 10 1.646 -18.890 -17.811 74 HA ILE 10 HA ILE 10 2.611 -19.445 -15.134 75 HB ILE 10 HB ILE 10 3.198 -17.133 -17.011 76 HG12 ILE 10 HG12 ILE 10 3.895 -19.190 -18.060 77 HG13 ILE 10 HG11 ILE 10 5.322 -18.303 -17.531 78 HG21 ILE 10 HG21 ILE 10 3.675 -16.601 -14.689 79 HG22 ILE 10 HG22 ILE 10 5.175 -16.754 -15.607 80 HG23 ILE 10 HG23 ILE 10 4.655 -18.060 -14.542 81 HD11 ILE 10 HD11 ILE 10 5.484 -19.805 -15.577 82 HD12 ILE 10 HD12 ILE 10 5.575 -20.675 -17.110 83 HD13 ILE 10 HD13 ILE 10 4.081 -20.695 -16.176 84 H CYS 11 H CYS 11 1.343 -18.761 -13.556 85 HA CYS 11 HA CYS 11 -0.579 -16.681 -14.203 86 HB2 CYS 11 HB2 CYS 11 -0.694 -18.866 -12.145 87 HB3 CYS 11 HB1 CYS 11 -1.884 -17.572 -12.319 88 H PHE 12 H PHE 12 -0.706 -14.923 -13.172 89 HA PHE 12 HA PHE 12 1.391 -14.287 -11.325 90 HB2 PHE 12 HB2 PHE 12 -0.618 -12.701 -12.880 91 HB3 PHE 12 HB1 PHE 12 0.405 -11.938 -11.673 92 HD1 PHE 12 HD1 PHE 12 2.834 -12.063 -11.920 93 HD2 PHE 12 HD2 PHE 12 0.204 -13.279 -15.013 94 HE1 PHE 12 HE1 PHE 12 4.663 -11.955 -13.474 95 HE2 PHE 12 HE2 PHE 12 2.048 -13.169 -16.633 96 HZ PHE 12 HZ PHE 12 4.296 -12.508 -15.878 97 HA PRO 13 HA PRO 13 -1.083 -14.378 -7.605 98 HB2 PRO 13 HB2 PRO 13 0.200 -11.740 -7.081 99 HB3 PRO 13 HB1 PRO 13 0.137 -13.171 -6.049 100 HG2 PRO 13 HG2 PRO 13 2.392 -12.522 -7.299 101 HG3 PRO 13 HG1 PRO 13 1.887 -14.216 -7.173 102 HD2 PRO 13 HD2 PRO 13 1.774 -12.385 -9.534 103 HD3 PRO 13 HD1 PRO 13 2.111 -14.110 -9.457 104 H ASP 14 H ASP 14 -0.740 -11.537 -9.522 105 HA ASP 14 HA ASP 14 -3.579 -11.099 -9.610 106 HB2 ASP 14 HB2 ASP 14 -3.052 -9.666 -7.727 107 HB3 ASP 14 HB1 ASP 14 -1.676 -8.980 -8.587 108 H GLY 15 H GLY 15 -0.610 -9.379 -10.284 109 HA2 GLY 15 HA2 GLY 15 0.068 -9.659 -12.776 110 HA3 GLY 15 HA1 GLY 15 -1.498 -8.879 -13.019 111 H LEU 16 H LEU 16 -1.389 -7.264 -10.716 112 HA LEU 16 HA LEU 16 0.869 -5.509 -11.346 113 HB2 LEU 16 HB2 LEU 16 -1.065 -5.106 -12.880 114 HB3 LEU 16 HB1 LEU 16 -1.950 -4.541 -11.477 115 HG LEU 16 HG LEU 16 -0.150 -2.842 -11.161 116 HD11 LEU 16 HD11 LEU 16 0.639 -3.941 -13.829 117 HD12 LEU 16 HD12 LEU 16 1.602 -3.886 -12.353 118 HD13 LEU 16 HD13 LEU 16 1.193 -2.380 -13.208 119 HD21 LEU 16 HD21 LEU 16 -1.010 -1.397 -12.953 120 HD22 LEU 16 HD22 LEU 16 -2.286 -2.308 -12.133 121 HD23 LEU 16 HD23 LEU 16 -1.721 -2.826 -13.724 122 H ASP 17 H ASP 17 -1.779 -6.336 -9.257 123 HA ASP 17 HA ASP 17 -0.560 -4.582 -7.304 124 HB2 ASP 17 HB2 ASP 17 -2.422 -3.350 -8.213 125 HB3 ASP 17 HB1 ASP 17 -3.522 -4.668 -7.829 126 H ASN 18 H ASN 18 0.269 -6.283 -6.097 127 HA ASN 18 HA ASN 18 -1.712 -7.509 -4.390 128 HB2 ASN 18 HB2 ASN 18 -1.313 -9.274 -6.026 129 HB3 ASN 18 HB1 ASN 18 0.424 -9.155 -5.759 130 HD21 ASN 18 HD21 ASN 18 0.616 -11.244 -5.095 131 HD22 ASN 18 HD22 ASN 18 0.004 -11.869 -3.609 132 HA PRO 19 HA PRO 19 1.855 -6.020 -1.896 133 HB2 PRO 19 HB2 PRO 19 0.555 -4.240 -0.402 134 HB3 PRO 19 HB1 PRO 19 1.102 -3.826 -2.034 135 HG2 PRO 19 HG2 PRO 19 -1.625 -4.647 -1.105 136 HG3 PRO 19 HG1 PRO 19 -1.173 -3.330 -2.202 137 HD2 PRO 19 HD2 PRO 19 -2.065 -5.743 -3.070 138 HD3 PRO 19 HD1 PRO 19 -0.941 -4.734 -3.994 139 H ARG 20 H ARG 20 -0.750 -7.840 -1.619 140 HA ARG 20 HA ARG 20 -0.711 -8.170 1.292 141 HB2 ARG 20 HB2 ARG 20 -2.320 -9.781 -0.721 142 HB3 ARG 20 HB1 ARG 20 -2.502 -9.835 1.023 143 HG2 ARG 20 HG2 ARG 20 -4.298 -8.543 0.371 144 HG3 ARG 20 HG1 ARG 20 -3.079 -7.325 0.772 145 HD2 ARG 20 HD2 ARG 20 -2.456 -7.274 -1.633 146 HD3 ARG 20 HD1 ARG 20 -3.827 -8.324 -1.964 147 HE ARG 20 HE ARG 20 -4.697 -6.101 -0.494 148 HH11 ARG 20 HH11 ARG 20 -3.763 -6.949 -3.824 149 HH12 ARG 20 HH12 ARG 20 -4.346 -5.484 -4.483 150 HH21 ARG 20 HH21 ARG 20 -5.632 -4.184 -1.468 151 HH22 ARG 20 HH22 ARG 20 -5.533 -3.944 -3.140 152 H GLY 21 H GLY 21 -0.067 -9.861 -1.669 153 HA2 GLY 21 HA2 GLY 21 1.066 -12.159 -0.470 154 HA3 GLY 21 HA1 GLY 21 1.224 -11.662 -2.165 155 H CYS 22 H CYS 22 2.357 -9.307 -2.049 156 HA CYS 22 HA CYS 22 4.989 -9.981 -1.289 157 HB2 CYS 22 HB2 CYS 22 3.755 -7.583 -2.582 158 HB3 CYS 22 HB1 CYS 22 5.433 -7.624 -2.048 159 H GLN 23 H GLN 23 5.642 -9.850 0.687 160 HA GLN 23 HA GLN 23 4.493 -7.824 2.419 161 HB2 GLN 23 HB2 GLN 23 5.609 -9.056 4.279 162 HB3 GLN 23 HB1 GLN 23 4.448 -10.033 3.393 163 HG2 GLN 23 HG2 GLN 23 6.297 -11.028 2.144 164 HG3 GLN 23 HG1 GLN 23 7.434 -10.099 3.103 165 HE21 GLN 23 HE21 GLN 23 7.161 -12.963 2.868 166 HE22 GLN 23 HE22 GLN 23 6.900 -13.571 4.466 167 H ILE 24 H ILE 24 5.421 -6.021 2.136 168 HA ILE 24 HA ILE 24 8.365 -5.867 2.139 169 HB ILE 24 HB ILE 24 6.526 -3.587 1.313 170 HG12 ILE 24 HG12 ILE 24 7.381 -4.214 -1.094 171 HG13 ILE 24 HG11 ILE 24 7.559 -5.822 -0.407 172 HG21 ILE 24 HG21 ILE 24 8.800 -2.974 1.899 173 HG22 ILE 24 HG22 ILE 24 8.503 -2.767 0.165 174 HG23 ILE 24 HG23 ILE 24 9.419 -4.155 0.736 175 HD11 ILE 24 HD11 ILE 24 5.458 -5.569 -1.582 176 HD12 ILE 24 HD12 ILE 24 5.015 -4.227 -0.528 177 HD13 ILE 24 HD13 ILE 24 5.190 -5.853 0.137 178 H ARG 25 H ARG 25 9.295 -4.632 3.737 179 HA ARG 25 HA ARG 25 7.523 -4.195 5.930 180 HB2 ARG 25 HB2 ARG 25 9.511 -3.673 7.277 181 HB3 ARG 25 HB1 ARG 25 9.613 -5.230 6.478 182 HG2 ARG 25 HG2 ARG 25 11.145 -4.146 4.813 183 HG3 ARG 25 HG1 ARG 25 11.087 -2.697 5.822 184 HD2 ARG 25 HD2 ARG 25 11.849 -4.008 7.747 185 HD3 ARG 25 HD1 ARG 25 11.941 -5.433 6.718 186 HE ARG 25 HE ARG 25 13.553 -3.509 5.553 187 HH11 ARG 25 HH11 ARG 25 13.477 -5.300 8.618 188 HH12 ARG 25 HH12 ARG 25 15.161 -5.242 8.817 189 HH21 ARG 25 HH21 ARG 25 15.835 -3.451 5.872 190 HH22 ARG 25 HH22 ARG 25 16.533 -4.185 7.236 191 H ILE 26 H ILE 26 6.591 -2.452 6.534 192 HA ILE 26 HA ILE 26 6.661 -0.190 4.882 193 HB ILE 26 HB ILE 26 5.150 0.903 6.553 194 HG12 ILE 26 HG12 ILE 26 4.072 -0.668 8.265 195 HG13 ILE 26 HG11 ILE 26 5.439 -1.735 8.035 196 HG21 ILE 26 HG21 ILE 26 4.281 -0.284 4.688 197 HG22 ILE 26 HG22 ILE 26 3.265 -0.593 6.107 198 HG23 ILE 26 HG23 ILE 26 4.421 -1.813 5.559 199 HD11 ILE 26 HD11 ILE 26 6.925 0.020 8.888 200 HD12 ILE 26 HD12 ILE 26 5.677 -0.419 10.052 201 HD13 ILE 26 HD13 ILE 26 5.532 1.072 9.126 202 H GLN 27 H GLN 27 8.663 -1.007 7.383 203 HA GLN 27 HA GLN 27 9.216 1.672 8.198 204 HB2 GLN 27 HB2 GLN 27 10.971 0.728 9.605 205 HB3 GLN 27 HB1 GLN 27 9.435 -0.122 9.772 206 HG2 GLN 27 HG2 GLN 27 10.214 -2.013 8.643 207 HG3 GLN 27 HG1 GLN 27 11.612 -1.155 7.997 208 HE21 GLN 27 HE21 GLN 27 11.397 -3.630 9.644 209 HE22 GLN 27 HE22 GLN 27 12.434 -3.315 10.987 210 H GLN 28 H GLN 28 10.184 -0.297 5.578 211 HA GLN 28 HA GLN 28 12.702 1.106 5.315 212 HB2 GLN 28 HB2 GLN 28 13.213 -0.316 3.488 213 HB3 GLN 28 HB1 GLN 28 12.237 -1.308 4.573 214 HG2 GLN 28 HG2 GLN 28 10.355 -1.169 3.228 215 HG3 GLN 28 HG1 GLN 28 11.024 0.149 2.269 216 HE21 GLN 28 HE21 GLN 28 12.834 -2.713 3.160 217 HE22 GLN 28 HE22 GLN 28 12.875 -3.380 1.573 218 H LEU 29 H LEU 29 9.431 1.289 4.229 219 HA LEU 29 HA LEU 29 10.017 3.282 2.200 220 HB2 LEU 29 HB2 LEU 29 7.391 2.248 3.218 221 HB3 LEU 29 HB1 LEU 29 7.550 3.495 2.014 222 HG LEU 29 HG LEU 29 7.063 1.674 0.794 223 HD11 LEU 29 HD11 LEU 29 9.081 1.007 -0.448 224 HD12 LEU 29 HD12 LEU 29 10.058 1.699 0.857 225 HD13 LEU 29 HD13 LEU 29 9.006 2.739 -0.088 226 HD21 LEU 29 HD21 LEU 29 7.081 0.029 2.513 227 HD22 LEU 29 HD22 LEU 29 8.836 0.063 2.590 228 HD23 LEU 29 HD23 LEU 29 8.031 -0.599 1.157 229 H ASN 30 H ASN 30 9.974 3.286 5.358 230 HA ASN 30 HA ASN 30 8.349 5.324 6.222 231 HB2 ASN 30 HB2 ASN 30 9.685 3.910 7.743 232 HB3 ASN 30 HB1 ASN 30 11.145 4.733 7.216 233 HD21 ASN 30 HD21 ASN 30 8.241 4.971 9.105 234 HD22 ASN 30 HD22 ASN 30 8.682 6.386 9.979 235 H HIS 31 H HIS 31 11.389 5.497 4.494 236 HA HIS 31 HA HIS 31 11.788 8.288 4.938 237 HB2 HIS 31 HB2 HIS 31 13.565 6.578 4.126 238 HB3 HIS 31 HB1 HIS 31 12.854 6.834 2.534 239 HD1 HIS 31 HD1 HIS 31 15.696 7.920 4.218 240 HD2 HIS 31 HD2 HIS 31 12.689 9.997 2.244 241 HE1 HIS 31 HE1 HIS 31 16.647 10.150 3.641 242 H CYS 32 H CYS 32 10.586 6.439 2.098 243 HA CYS 32 HA CYS 32 9.850 8.660 0.552 244 HB2 CYS 32 HB2 CYS 32 9.321 5.782 0.497 245 HB3 CYS 32 HB1 CYS 32 7.953 6.720 -0.104 246 H GLN 33 H GLN 33 7.864 6.734 2.742 247 HA GLN 33 HA GLN 33 5.527 8.057 2.650 248 HB2 GLN 33 HB2 GLN 33 5.782 6.087 3.888 249 HB3 GLN 33 HB1 GLN 33 7.051 6.776 4.881 250 HG2 GLN 33 HG2 GLN 33 5.484 8.369 5.723 251 HG3 GLN 33 HG1 GLN 33 4.146 7.547 4.898 252 HE21 GLN 33 HE21 GLN 33 6.899 6.138 6.522 253 HE22 GLN 33 HE22 GLN 33 6.029 5.299 7.745 254 H MET 34 H MET 34 8.262 8.834 4.858 255 HA MET 34 HA MET 34 6.903 11.053 5.971 256 HB2 MET 34 HB2 MET 34 8.894 11.574 7.182 257 HB3 MET 34 HB1 MET 34 8.665 9.821 7.202 258 HG2 MET 34 HG2 MET 34 10.384 9.647 5.439 259 HG3 MET 34 HG1 MET 34 10.636 11.384 5.541 260 HE1 MET 34 HE1 MET 34 10.312 11.825 8.715 261 HE2 MET 34 HE2 MET 34 11.562 12.603 7.742 262 HE3 MET 34 HE3 MET 34 11.998 11.751 9.223 263 H HIS 35 H HIS 35 9.268 10.734 3.439 264 HA HIS 35 HA HIS 35 9.685 13.538 3.243 265 HB2 HIS 35 HB2 HIS 35 11.232 13.132 1.474 266 HB3 HIS 35 HB1 HIS 35 11.244 11.653 2.410 267 HD1 HIS 35 HD1 HIS 35 9.270 12.847 -0.661 268 HD2 HIS 35 HD2 HIS 35 11.554 9.667 0.685 269 HE1 HIS 35 HE1 HIS 35 9.455 11.232 -2.595 270 H LEU 36 H LEU 36 7.304 11.506 2.082 271 HA LEU 36 HA LEU 36 6.320 13.442 0.174 272 HB2 LEU 36 HB2 LEU 36 5.025 10.902 1.137 273 HB3 LEU 36 HB1 LEU 36 4.449 11.962 -0.143 274 HG LEU 36 HG LEU 36 7.077 10.486 -0.232 275 HD11 LEU 36 HD11 LEU 36 6.021 8.983 -1.790 276 HD12 LEU 36 HD12 LEU 36 4.464 9.777 -1.539 277 HD13 LEU 36 HD13 LEU 36 5.243 8.912 -0.213 278 HD21 LEU 36 HD21 LEU 36 7.054 12.473 -1.615 279 HD22 LEU 36 HD22 LEU 36 5.528 11.977 -2.344 280 HD23 LEU 36 HD23 LEU 36 6.989 11.031 -2.625 281 H THR 37 H THR 37 5.540 12.446 3.487 282 HA THR 37 HA THR 37 3.163 14.073 3.410 283 HB THR 37 HB THR 37 2.843 13.384 5.712 284 HG1 THR 37 HG1 THR 37 5.115 13.252 6.335 285 HG21 THR 37 HG21 THR 37 3.674 11.128 3.893 286 HG22 THR 37 HG22 THR 37 2.076 11.873 3.977 287 HG23 THR 37 HG23 THR 37 2.690 10.940 5.341 288 H SER 38 H SER 38 6.425 14.460 4.160 289 HA SER 38 HA SER 38 6.031 16.739 5.887 290 HB2 SER 38 HB2 SER 38 7.805 15.169 6.472 291 HB3 SER 38 HB1 SER 38 8.558 15.403 4.900 292 HG SER 38 HG SER 38 9.514 17.051 5.659 293 H PHE 39 H PHE 39 5.930 18.701 5.193 294 HA PHE 39 HA PHE 39 7.040 19.367 2.579 295 HB2 PHE 39 HB2 PHE 39 5.075 20.836 4.358 296 HB3 PHE 39 HB1 PHE 39 5.772 21.530 2.897 297 HD1 PHE 39 HD1 PHE 39 3.327 19.219 4.243 298 HD2 PHE 39 HD2 PHE 39 5.248 20.596 0.715 299 HE1 PHE 39 HE1 PHE 39 1.580 18.166 2.874 300 HE2 PHE 39 HE2 PHE 39 3.505 19.548 -0.654 301 HZ PHE 39 HZ PHE 39 1.675 18.340 0.420 302 H ASP 40 H ASP 40 9.069 20.006 2.710 303 HA ASP 40 HA ASP 40 10.260 20.631 5.219 304 HB2 ASP 40 HB2 ASP 40 11.305 19.537 3.059 305 HB3 ASP 40 HB1 ASP 40 11.630 21.192 2.614 306 H TYR 41 H TYR 41 11.731 22.568 5.335 307 HA TYR 41 HA TYR 41 9.843 24.817 5.124 308 HB2 TYR 41 HB2 TYR 41 10.818 25.715 7.140 309 HB3 TYR 41 HB1 TYR 41 10.434 23.999 7.334 310 HD1 TYR 41 HD1 TYR 41 13.076 26.477 7.430 311 HD2 TYR 41 HD2 TYR 41 12.278 22.313 7.286 312 HE1 TYR 41 HE1 TYR 41 15.388 26.015 8.111 313 HE2 TYR 41 HE2 TYR 41 14.578 21.835 7.956 314 HH TYR 41 HH TYR 41 16.756 22.898 7.944 315 H LYS 42 H LYS 42 13.144 23.833 4.500 316 HA LYS 42 HA LYS 42 13.883 26.556 4.002 317 HB2 LYS 42 HB2 LYS 42 16.110 25.887 3.942 318 HB3 LYS 42 HB1 LYS 42 15.363 24.699 4.982 319 HG2 LYS 42 HG2 LYS 42 16.047 24.253 2.076 320 HG3 LYS 42 HG1 LYS 42 17.038 23.750 3.447 321 HD2 LYS 42 HD2 LYS 42 15.150 22.320 4.183 322 HD3 LYS 42 HD1 LYS 42 14.282 22.770 2.719 323 HE2 LYS 42 HE2 LYS 42 16.107 21.856 1.356 324 HE3 LYS 42 HE1 LYS 42 16.963 21.393 2.823 325 HZ1 LYS 42 HZ1 LYS 42 15.840 19.499 1.954 326 HZ2 LYS 42 HZ2 LYS 42 14.397 20.293 1.810 327 HZ3 LYS 42 HZ3 LYS 42 14.989 19.940 3.348 328 H LEU 43 H LEU 43 12.037 24.707 2.304 329 HA LEU 43 HA LEU 43 13.150 24.838 -0.324 330 HB2 LEU 43 HB2 LEU 43 10.267 24.514 0.383 331 HB3 LEU 43 HB1 LEU 43 11.085 23.979 -1.068 332 HG LEU 43 HG LEU 43 11.491 22.868 1.682 333 HD11 LEU 43 HD11 LEU 43 10.366 20.867 0.788 334 HD12 LEU 43 HD12 LEU 43 9.965 21.778 -0.678 335 HD13 LEU 43 HD13 LEU 43 9.338 22.286 0.899 336 HD21 LEU 43 HD21 LEU 43 12.745 21.087 0.556 337 HD22 LEU 43 HD22 LEU 43 13.497 22.667 0.369 338 HD23 LEU 43 HD23 LEU 43 12.591 21.958 -0.972 339 H ARG 44 H ARG 44 13.647 27.125 -0.249 340 HA ARG 44 HA ARG 44 11.318 28.801 -0.963 341 HB2 ARG 44 HB2 ARG 44 14.170 29.601 -0.348 342 HB3 ARG 44 HB1 ARG 44 12.879 30.709 -0.770 343 HG2 ARG 44 HG2 ARG 44 11.692 30.117 1.271 344 HG3 ARG 44 HG1 ARG 44 12.977 28.971 1.676 345 HD2 ARG 44 HD2 ARG 44 13.264 31.107 2.866 346 HD3 ARG 44 HD1 ARG 44 14.595 30.782 1.760 347 HE ARG 44 HE ARG 44 12.365 32.517 0.980 348 HH11 ARG 44 HH11 ARG 44 15.825 32.110 1.582 349 HH12 ARG 44 HH12 ARG 44 16.280 33.576 0.855 350 HH21 ARG 44 HH21 ARG 44 12.969 34.519 -0.025 351 HH22 ARG 44 HH22 ARG 44 14.606 34.980 -0.118 352 H MET 45 H MET 45 14.667 28.404 -1.834 353 HA MET 45 HA MET 45 13.989 28.757 -4.653 354 HB2 MET 45 HB2 MET 45 16.736 28.783 -3.405 355 HB3 MET 45 HB1 MET 45 16.261 29.388 -4.984 356 HG2 MET 45 HG2 MET 45 15.528 30.572 -2.319 357 HG3 MET 45 HG1 MET 45 16.702 31.226 -3.461 358 HE1 MET 45 HE1 MET 45 15.551 33.585 -3.309 359 HE2 MET 45 HE2 MET 45 14.396 32.943 -2.143 360 HE3 MET 45 HE3 MET 45 13.824 33.858 -3.537 361 H ALA 46 H ALA 46 14.883 26.647 -2.279 362 HA ALA 46 HA ALA 46 16.193 24.641 -3.867 363 HB1 ALA 46 HB1 ALA 46 16.746 24.903 -1.493 364 HB2 ALA 46 HB2 ALA 46 16.132 23.283 -1.834 365 HB3 ALA 46 HB3 ALA 46 15.087 24.478 -1.066 366 H VAL 47 H VAL 47 14.867 23.961 -5.424 367 HA VAL 47 HA VAL 47 12.437 22.557 -4.582 368 HB VAL 47 HB VAL 47 12.810 24.058 -7.209 369 HG11 VAL 47 HG11 VAL 47 10.455 23.574 -7.612 370 HG12 VAL 47 HG12 VAL 47 10.386 22.671 -6.100 371 HG13 VAL 47 HG13 VAL 47 11.391 22.087 -7.425 372 HG21 VAL 47 HG21 VAL 47 11.063 24.769 -4.855 373 HG22 VAL 47 HG22 VAL 47 11.102 25.603 -6.411 374 HG23 VAL 47 HG23 VAL 47 12.521 25.622 -5.364 375 H GLU 48 H GLU 48 14.298 22.946 -7.569 376 HA GLU 48 HA GLU 48 14.507 20.043 -7.768 377 HB2 GLU 48 HB2 GLU 48 14.930 22.213 -9.839 378 HB3 GLU 48 HB1 GLU 48 15.033 20.485 -10.138 379 HG2 GLU 48 HG2 GLU 48 12.545 21.916 -9.233 380 HG3 GLU 48 HG1 GLU 48 12.926 21.543 -10.907 381 H ASN 49 H ASN 49 16.344 19.375 -6.865 382 HA ASN 49 HA ASN 49 18.906 20.467 -7.592 383 HB2 ASN 49 HB2 ASN 49 18.215 22.050 -5.810 384 HB3 ASN 49 HB1 ASN 49 17.871 20.704 -4.737 385 HD21 ASN 49 HD21 ASN 49 20.337 22.677 -6.160 386 HD22 ASN 49 HD22 ASN 49 21.631 22.093 -5.185 387 HA PRO 50 HA PRO 50 20.005 16.129 -6.862 388 HB2 PRO 50 HB2 PRO 50 22.415 16.664 -5.455 389 HB3 PRO 50 HB1 PRO 50 22.255 16.298 -7.173 390 HG2 PRO 50 HG2 PRO 50 22.507 18.926 -5.808 391 HG3 PRO 50 HG1 PRO 50 23.071 18.436 -7.415 392 HD2 PRO 50 HD2 PRO 50 20.950 20.022 -7.118 393 HD3 PRO 50 HD1 PRO 50 20.974 18.768 -8.380 394 H LYS 51 H LYS 51 20.495 18.412 -4.166 395 HA LYS 51 HA LYS 51 20.344 16.399 -2.139 396 HB2 LYS 51 HB2 LYS 51 20.098 19.389 -1.982 397 HB3 LYS 51 HB1 LYS 51 20.157 18.302 -0.603 398 HG2 LYS 51 HG2 LYS 51 22.352 18.626 -2.646 399 HG3 LYS 51 HG1 LYS 51 22.304 19.421 -1.074 400 HD2 LYS 51 HD2 LYS 51 22.409 16.443 -1.571 401 HD3 LYS 51 HD1 LYS 51 23.734 17.451 -1.000 402 HE2 LYS 51 HE2 LYS 51 21.129 16.974 0.465 403 HE3 LYS 51 HE1 LYS 51 22.668 16.216 0.838 404 HZ1 LYS 51 HZ1 LYS 51 23.584 18.347 1.420 405 HZ2 LYS 51 HZ2 LYS 51 22.175 18.111 2.291 406 HZ3 LYS 51 HZ3 LYS 51 22.178 19.154 0.978 407 H GLN 52 H GLN 52 18.031 17.902 -4.031 408 HA GLN 52 HA GLN 52 15.994 17.627 -1.998 409 HB2 GLN 52 HB2 GLN 52 15.992 18.931 -4.693 410 HB3 GLN 52 HB1 GLN 52 14.497 18.644 -3.812 411 HG2 GLN 52 HG2 GLN 52 16.848 20.210 -2.825 412 HG3 GLN 52 HG1 GLN 52 15.346 20.906 -3.455 413 HE21 GLN 52 HE21 GLN 52 13.705 18.818 -2.195 414 HE22 GLN 52 HE22 GLN 52 13.678 19.158 -0.512 415 H GLN 53 H GLN 53 17.307 15.974 -4.584 416 HA GLN 53 HA GLN 53 14.913 14.272 -4.723 417 HB2 GLN 53 HB2 GLN 53 15.771 13.410 -6.836 418 HB3 GLN 53 HB1 GLN 53 15.572 15.154 -6.892 419 HG2 GLN 53 HG2 GLN 53 17.956 15.445 -6.592 420 HG3 GLN 53 HG1 GLN 53 18.166 13.697 -6.485 421 HE21 GLN 53 HE21 GLN 53 17.468 16.367 -8.572 422 HE22 GLN 53 HE22 GLN 53 17.697 15.508 -10.043 423 H GLN 54 H GLN 54 17.517 14.501 -3.037 424 HA GLN 54 HA GLN 54 19.099 12.238 -3.183 425 HB2 GLN 54 HB2 GLN 54 19.560 12.572 -0.769 426 HB3 GLN 54 HB1 GLN 54 19.590 14.091 -1.656 427 HG2 GLN 54 HG2 GLN 54 17.499 14.754 -0.811 428 HG3 GLN 54 HG1 GLN 54 17.156 13.159 -0.181 429 HE21 GLN 54 HE21 GLN 54 20.323 14.584 0.204 430 HE22 GLN 54 HE22 GLN 54 20.182 14.893 1.892 431 H HIS 55 H HIS 55 15.989 12.652 -1.703 432 HA HIS 55 HA HIS 55 15.944 10.223 -0.323 433 HB2 HIS 55 HB2 HIS 55 13.455 10.733 -0.076 434 HB3 HIS 55 HB1 HIS 55 14.593 11.871 0.614 435 HD1 HIS 55 HD1 HIS 55 13.012 13.913 0.527 436 HD2 HIS 55 HD2 HIS 55 13.549 12.043 -3.134 437 HE1 HIS 55 HE1 HIS 55 11.902 15.390 -1.169 438 H LEU 56 H LEU 56 15.271 10.937 -3.602 439 HA LEU 56 HA LEU 56 13.659 8.579 -4.013 440 HB2 LEU 56 HB2 LEU 56 13.442 10.569 -5.503 441 HB3 LEU 56 HB1 LEU 56 15.095 10.353 -6.019 442 HG LEU 56 HG LEU 56 13.315 9.626 -7.661 443 HD11 LEU 56 HD11 LEU 56 15.277 7.498 -6.857 444 HD12 LEU 56 HD12 LEU 56 15.575 8.835 -7.967 445 HD13 LEU 56 HD13 LEU 56 14.410 7.578 -8.391 446 HD21 LEU 56 HD21 LEU 56 12.936 7.373 -5.712 447 HD22 LEU 56 HD22 LEU 56 12.243 7.468 -7.331 448 HD23 LEU 56 HD23 LEU 56 11.760 8.630 -6.094 449 H SER 57 H SER 57 17.008 9.535 -4.473 450 HA SER 57 HA SER 57 17.886 7.118 -5.543 451 HB2 SER 57 HB2 SER 57 19.410 9.125 -3.876 452 HB3 SER 57 HB1 SER 57 20.101 7.957 -5.010 453 HG SER 57 HG SER 57 18.827 8.967 -6.635 454 H LEU 58 H LEU 58 17.147 8.080 -2.336 455 HA LEU 58 HA LEU 58 18.418 5.796 -1.108 456 HB2 LEU 58 HB2 LEU 58 16.439 7.750 0.036 457 HB3 LEU 58 HB1 LEU 58 17.442 6.639 0.945 458 HG LEU 58 HG LEU 58 18.465 8.898 -0.742 459 HD11 LEU 58 HD11 LEU 58 18.939 10.023 1.385 460 HD12 LEU 58 HD12 LEU 58 18.273 8.647 2.262 461 HD13 LEU 58 HD13 LEU 58 17.214 9.641 1.278 462 HD21 LEU 58 HD21 LEU 58 19.872 7.031 1.168 463 HD22 LEU 58 HD22 LEU 58 20.605 8.438 0.401 464 HD23 LEU 58 HD23 LEU 58 20.061 7.084 -0.586 465 H CYS 59 H CYS 59 15.098 6.874 -1.766 466 HA CYS 59 HA CYS 59 13.859 4.615 -0.613 467 HB2 CYS 59 HB2 CYS 59 12.781 6.788 -0.890 468 HB3 CYS 59 HB1 CYS 59 12.769 6.566 -2.633 469 H CYS 60 H CYS 60 14.406 5.459 -4.089 470 HA CYS 60 HA CYS 60 13.345 3.123 -5.166 471 HB2 CYS 60 HB2 CYS 60 13.815 5.073 -6.558 472 HB3 CYS 60 HB1 CYS 60 15.526 4.960 -6.205 473 H ASN 61 H ASN 61 16.444 3.786 -3.768 474 HA ASN 61 HA ASN 61 17.669 1.350 -4.693 475 HB2 ASN 61 HB2 ASN 61 18.972 3.270 -4.255 476 HB3 ASN 61 HB1 ASN 61 18.519 3.298 -2.561 477 HD21 ASN 61 HD21 ASN 61 19.552 1.904 -1.125 478 HD22 ASN 61 HD22 ASN 61 20.898 0.931 -1.548 479 H GLN 62 H GLN 62 15.800 2.276 -1.980 480 HA GLN 62 HA GLN 62 16.599 0.022 -0.388 481 HB2 GLN 62 HB2 GLN 62 16.025 2.232 0.610 482 HB3 GLN 62 HB1 GLN 62 14.384 2.045 0.038 483 HG2 GLN 62 HG2 GLN 62 14.460 1.591 2.391 484 HG3 GLN 62 HG1 GLN 62 14.125 0.094 1.529 485 HE21 GLN 62 HE21 GLN 62 15.290 0.635 4.221 486 HE22 GLN 62 HE22 GLN 62 16.772 -0.230 4.234 487 H LEU 63 H LEU 63 13.827 1.042 -2.281 488 HA LEU 63 HA LEU 63 12.214 -1.200 -1.657 489 HB2 LEU 63 HB2 LEU 63 10.680 -0.333 -3.305 490 HB3 LEU 63 HB1 LEU 63 11.382 1.047 -2.505 491 HG LEU 63 HG LEU 63 13.006 1.052 -4.526 492 HD11 LEU 63 HD11 LEU 63 10.566 -0.240 -5.695 493 HD12 LEU 63 HD12 LEU 63 12.157 -0.972 -5.526 494 HD13 LEU 63 HD13 LEU 63 11.942 0.433 -6.583 495 HD21 LEU 63 HD21 LEU 63 11.410 2.563 -5.646 496 HD22 LEU 63 HD22 LEU 63 11.670 2.866 -3.926 497 HD23 LEU 63 HD23 LEU 63 10.191 2.060 -4.457 498 H GLN 64 H GLN 64 14.581 -0.492 -4.117 499 HA GLN 64 HA GLN 64 13.896 -2.639 -5.806 500 HB2 GLN 64 HB2 GLN 64 15.844 -2.145 -7.088 501 HB3 GLN 64 HB1 GLN 64 15.152 -0.628 -6.509 502 HG2 GLN 64 HG2 GLN 64 16.761 -0.426 -4.843 503 HG3 GLN 64 HG1 GLN 64 17.467 -2.000 -5.225 504 HE21 GLN 64 HE21 GLN 64 17.112 -1.513 -8.131 505 HE22 GLN 64 HE22 GLN 64 18.357 -0.406 -8.566 506 H GLU 65 H GLU 65 15.570 -2.674 -2.843 507 HA GLU 65 HA GLU 65 17.055 -5.017 -3.551 508 HB2 GLU 65 HB2 GLU 65 16.580 -3.829 -0.822 509 HB3 GLU 65 HB1 GLU 65 17.629 -5.202 -1.142 510 HG2 GLU 65 HG2 GLU 65 18.825 -3.622 -2.772 511 HG3 GLU 65 HG1 GLU 65 17.992 -2.337 -1.896 512 H VAL 66 H VAL 66 13.960 -4.332 -2.688 513 HA VAL 66 HA VAL 66 13.194 -6.887 -1.561 514 HB VAL 66 HB VAL 66 11.401 -4.860 -2.953 515 HG11 VAL 66 HG11 VAL 66 10.351 -6.994 -2.441 516 HG12 VAL 66 HG12 VAL 66 9.647 -5.680 -1.500 517 HG13 VAL 66 HG13 VAL 66 10.778 -6.801 -0.739 518 HG21 VAL 66 HG21 VAL 66 12.237 -4.837 -0.064 519 HG22 VAL 66 HG22 VAL 66 11.020 -3.791 -0.808 520 HG23 VAL 66 HG23 VAL 66 12.701 -3.671 -1.306 521 H GLU 67 H GLU 67 11.725 -8.348 -2.771 522 HA GLU 67 HA GLU 67 12.629 -9.399 -5.139 523 HB2 GLU 67 HB2 GLU 67 9.896 -9.363 -3.931 524 HB3 GLU 67 HB1 GLU 67 10.261 -10.310 -5.375 525 HG2 GLU 67 HG2 GLU 67 11.878 -11.526 -4.216 526 HG3 GLU 67 HG1 GLU 67 11.672 -10.561 -2.742 527 H LYS 68 H LYS 68 12.104 -9.177 -7.291 528 HA LYS 68 HA LYS 68 11.737 -6.516 -8.079 529 HB2 LYS 68 HB2 LYS 68 11.811 -7.253 -10.350 530 HB3 LYS 68 HB1 LYS 68 13.081 -8.029 -9.412 531 HG2 LYS 68 HG2 LYS 68 11.536 -10.049 -9.316 532 HG3 LYS 68 HG1 LYS 68 10.547 -9.215 -10.511 533 HD2 LYS 68 HD2 LYS 68 13.453 -9.872 -10.805 534 HD3 LYS 68 HD1 LYS 68 12.143 -10.796 -11.545 535 HE2 LYS 68 HE2 LYS 68 11.516 -8.823 -12.868 536 HE3 LYS 68 HE1 LYS 68 12.773 -7.885 -12.065 537 HZ1 LYS 68 HZ1 LYS 68 13.443 -8.651 -14.250 538 HZ2 LYS 68 HZ2 LYS 68 13.284 -10.260 -13.771 539 HZ3 LYS 68 HZ3 LYS 68 14.441 -9.267 -13.053 540 H GLN 69 H GLN 69 9.451 -9.067 -7.759 541 HA GLN 69 HA GLN 69 7.412 -7.651 -9.238 542 HB2 GLN 69 HB2 GLN 69 5.873 -9.408 -8.467 543 HB3 GLN 69 HB1 GLN 69 7.344 -10.111 -9.120 544 HG2 GLN 69 HG2 GLN 69 8.179 -10.535 -6.899 545 HG3 GLN 69 HG1 GLN 69 6.796 -9.712 -6.190 546 HE21 GLN 69 HE21 GLN 69 6.094 -11.438 -5.048 547 HE22 GLN 69 HE22 GLN 69 5.414 -12.845 -5.771 548 H CYS 70 H CYS 70 8.674 -7.585 -6.090 549 HA CYS 70 HA CYS 70 6.219 -6.551 -4.907 550 HB2 CYS 70 HB2 CYS 70 8.768 -7.459 -3.628 551 HB3 CYS 70 HB1 CYS 70 7.302 -7.004 -2.760 552 H GLN 71 H GLN 71 9.092 -5.451 -6.222 553 HA GLN 71 HA GLN 71 9.760 -3.195 -4.628 554 HB2 GLN 71 HB2 GLN 71 10.025 -3.776 -7.548 555 HB3 GLN 71 HB1 GLN 71 10.658 -2.296 -6.812 556 HG2 GLN 71 HG2 GLN 71 12.086 -3.606 -5.402 557 HG3 GLN 71 HG1 GLN 71 11.409 -5.101 -6.048 558 HE21 GLN 71 HE21 GLN 71 13.426 -5.754 -6.697 559 HE22 GLN 71 HE22 GLN 71 14.194 -5.111 -8.111 560 H CYS 72 H CYS 72 7.446 -3.509 -7.286 561 HA CYS 72 HA CYS 72 6.658 -0.802 -6.917 562 HB2 CYS 72 HB2 CYS 72 4.758 -1.439 -8.418 563 HB3 CYS 72 HB1 CYS 72 6.395 -1.510 -9.065 564 H GLU 73 H GLU 73 5.783 -3.777 -5.612 565 HA GLU 73 HA GLU 73 3.268 -3.014 -4.693 566 HB2 GLU 73 HB2 GLU 73 5.155 -5.089 -3.635 567 HB3 GLU 73 HB1 GLU 73 3.501 -4.958 -3.089 568 HG2 GLU 73 HG2 GLU 73 4.432 -5.571 -5.897 569 HG3 GLU 73 HG1 GLU 73 3.734 -6.717 -4.762 570 H ALA 74 H ALA 74 6.530 -2.660 -3.501 571 HA ALA 74 HA ALA 74 6.057 -1.850 -0.910 572 HB1 ALA 74 HB1 ALA 74 8.253 -0.964 -2.786 573 HB2 ALA 74 HB2 ALA 74 8.262 -2.439 -1.828 574 HB3 ALA 74 HB3 ALA 74 8.294 -0.871 -1.023 575 H ILE 75 H ILE 75 5.685 -0.281 -3.946 576 HA ILE 75 HA ILE 75 5.670 2.415 -3.031 577 HB ILE 75 HB ILE 75 4.400 1.325 -5.553 578 HG12 ILE 75 HG12 ILE 75 6.671 0.576 -5.535 579 HG13 ILE 75 HG11 ILE 75 6.541 1.914 -6.674 580 HG21 ILE 75 HG21 ILE 75 3.734 3.569 -5.007 581 HG22 ILE 75 HG22 ILE 75 4.735 3.523 -6.452 582 HG23 ILE 75 HG23 ILE 75 5.426 4.070 -4.919 583 HD11 ILE 75 HD11 ILE 75 8.556 2.070 -5.485 584 HD12 ILE 75 HD12 ILE 75 7.747 1.875 -3.939 585 HD13 ILE 75 HD13 ILE 75 7.518 3.372 -4.874 586 H LYS 76 H LYS 76 3.386 -0.175 -3.027 587 HA LYS 76 HA LYS 76 0.997 1.489 -3.180 588 HB2 LYS 76 HB2 LYS 76 1.179 -1.307 -2.025 589 HB3 LYS 76 HB1 LYS 76 -0.220 -0.531 -2.740 590 HG2 LYS 76 HG2 LYS 76 2.238 -1.401 -4.233 591 HG3 LYS 76 HG1 LYS 76 0.740 -2.326 -4.146 592 HD2 LYS 76 HD2 LYS 76 -0.412 -0.477 -5.284 593 HD3 LYS 76 HD1 LYS 76 1.113 0.410 -5.359 594 HE2 LYS 76 HE2 LYS 76 0.626 -0.724 -7.480 595 HE3 LYS 76 HE1 LYS 76 2.098 -1.343 -6.739 596 HZ1 LYS 76 HZ1 LYS 76 0.606 -3.095 -7.661 597 HZ2 LYS 76 HZ2 LYS 76 -0.544 -2.673 -6.465 598 HZ3 LYS 76 HZ3 LYS 76 0.956 -3.287 -6.029 599 H GLN 77 H GLN 77 2.973 -0.183 -1.025 600 HA GLN 77 HA GLN 77 1.766 0.064 1.471 601 HB2 GLN 77 HB2 GLN 77 4.698 0.107 0.823 602 HB3 GLN 77 HB1 GLN 77 3.969 -0.357 2.353 603 HG2 GLN 77 HG2 GLN 77 3.245 -1.731 -0.154 604 HG3 GLN 77 HG1 GLN 77 4.691 -2.239 0.651 605 HE21 GLN 77 HE21 GLN 77 2.414 -3.798 0.154 606 HE22 GLN 77 HE22 GLN 77 1.623 -4.197 1.629 607 H VAL 78 H VAL 78 4.154 2.124 -0.170 608 HA VAL 78 HA VAL 78 4.610 3.989 1.802 609 HB VAL 78 HB VAL 78 4.373 4.794 -1.105 610 HG11 VAL 78 HG11 VAL 78 6.070 5.881 1.089 611 HG12 VAL 78 HG12 VAL 78 4.574 6.581 0.489 612 HG13 VAL 78 HG13 VAL 78 5.985 6.482 -0.576 613 HG21 VAL 78 HG21 VAL 78 5.802 2.798 -0.909 614 HG22 VAL 78 HG22 VAL 78 6.808 3.677 0.251 615 HG23 VAL 78 HG23 VAL 78 6.690 4.233 -1.415 616 H VAL 79 H VAL 79 2.079 3.892 -0.664 617 HA VAL 79 HA VAL 79 1.062 6.499 -0.123 618 HB VAL 79 HB VAL 79 -0.432 4.189 -1.376 619 HG11 VAL 79 HG11 VAL 79 -0.758 7.163 -1.702 620 HG12 VAL 79 HG12 VAL 79 -1.782 6.105 -0.747 621 HG13 VAL 79 HG13 VAL 79 -1.725 5.919 -2.507 622 HG21 VAL 79 HG21 VAL 79 0.355 5.040 -3.563 623 HG22 VAL 79 HG22 VAL 79 1.651 4.414 -2.549 624 HG23 VAL 79 HG23 VAL 79 1.429 6.161 -2.712 625 H GLU 80 H GLU 80 0.173 3.249 0.672 626 HA GLU 80 HA GLU 80 -2.195 3.693 2.034 627 HB2 GLU 80 HB2 GLU 80 -1.488 1.541 1.171 628 HB3 GLU 80 HB1 GLU 80 -0.163 1.494 2.319 629 HG2 GLU 80 HG2 GLU 80 -1.673 1.277 4.144 630 HG3 GLU 80 HG1 GLU 80 -3.059 1.548 3.087 631 H GLN 81 H GLN 81 1.118 3.481 3.306 632 HA GLN 81 HA GLN 81 0.228 3.887 6.025 633 HB2 GLN 81 HB2 GLN 81 2.619 3.924 6.583 634 HB3 GLN 81 HB1 GLN 81 2.228 2.535 5.577 635 HG2 GLN 81 HG2 GLN 81 3.089 3.785 3.607 636 HG3 GLN 81 HG1 GLN 81 3.539 5.090 4.689 637 HE21 GLN 81 HE21 GLN 81 4.464 3.259 6.801 638 HE22 GLN 81 HE22 GLN 81 5.960 2.646 6.197 639 H ALA 82 H ALA 82 1.502 5.964 3.479 640 HA ALA 82 HA ALA 82 2.027 8.142 5.211 641 HB1 ALA 82 HB1 ALA 82 2.325 9.459 3.181 642 HB2 ALA 82 HB2 ALA 82 1.588 8.172 2.226 643 HB3 ALA 82 HB3 ALA 82 3.133 7.897 3.028 644 H GLN 83 H GLN 83 -0.729 7.210 3.256 645 HA GLN 83 HA GLN 83 -2.104 9.653 3.714 646 HB2 GLN 83 HB2 GLN 83 -4.041 8.612 2.685 647 HB3 GLN 83 HB1 GLN 83 -2.606 8.244 1.744 648 HG2 GLN 83 HG2 GLN 83 -2.545 6.010 2.812 649 HG3 GLN 83 HG1 GLN 83 -4.050 6.404 3.640 650 HE21 GLN 83 HE21 GLN 83 -5.939 6.609 2.411 651 HE22 GLN 83 HE22 GLN 83 -6.065 5.925 0.839 652 H LYS 84 H LYS 84 -1.993 6.541 5.299 653 HA LYS 84 HA LYS 84 -4.244 7.115 6.931 654 HB2 LYS 84 HB2 LYS 84 -3.821 5.020 8.087 655 HB3 LYS 84 HB1 LYS 84 -3.616 4.795 6.369 656 HG2 LYS 84 HG2 LYS 84 -1.878 3.516 7.302 657 HG3 LYS 84 HG1 LYS 84 -1.123 5.048 6.838 658 HD2 LYS 84 HD2 LYS 84 -0.938 5.800 8.909 659 HD3 LYS 84 HD1 LYS 84 -2.133 4.680 9.611 660 HE2 LYS 84 HE2 LYS 84 -0.542 2.848 9.185 661 HE3 LYS 84 HE1 LYS 84 0.612 4.010 8.532 662 HZ1 LYS 84 HZ1 LYS 84 -0.442 4.064 11.308 663 HZ2 LYS 84 HZ2 LYS 84 0.819 5.019 10.694 664 HZ3 LYS 84 HZ3 LYS 84 1.008 3.356 10.865 665 H GLN 85 H GLN 85 -0.828 7.643 7.235 666 HA GLN 85 HA GLN 85 -0.956 8.089 10.026 667 HB2 GLN 85 HB2 GLN 85 1.359 8.691 9.950 668 HB3 GLN 85 HB1 GLN 85 1.052 7.440 8.737 669 HG2 GLN 85 HG2 GLN 85 1.590 8.713 7.029 670 HG3 GLN 85 HG1 GLN 85 0.885 10.166 7.734 671 HE21 GLN 85 HE21 GLN 85 3.703 8.130 7.647 672 HE22 GLN 85 HE22 GLN 85 4.788 9.299 8.308 673 H LEU 86 H LEU 86 -1.365 10.108 7.241 674 HA LEU 86 HA LEU 86 -1.587 12.460 8.889 675 HB2 LEU 86 HB2 LEU 86 -1.672 11.909 5.984 676 HB3 LEU 86 HB1 LEU 86 -2.574 13.313 6.495 677 HG LEU 86 HG LEU 86 -0.327 13.856 5.723 678 HD11 LEU 86 HD11 LEU 86 -0.701 14.351 8.664 679 HD12 LEU 86 HD12 LEU 86 -1.458 15.265 7.365 680 HD13 LEU 86 HD13 LEU 86 0.300 15.296 7.556 681 HD21 LEU 86 HD21 LEU 86 0.555 12.236 8.088 682 HD22 LEU 86 HD22 LEU 86 1.583 13.347 7.207 683 HD23 LEU 86 HD23 LEU 86 0.922 11.922 6.387 684 H GLN 87 H GLN 87 -3.727 10.162 7.420 685 HA GLN 87 HA GLN 87 -6.182 11.456 7.654 686 HB2 GLN 87 HB2 GLN 87 -5.767 9.336 6.443 687 HB3 GLN 87 HB1 GLN 87 -5.585 8.519 7.986 688 HG2 GLN 87 HG2 GLN 87 -7.902 9.155 8.536 689 HG3 GLN 87 HG1 GLN 87 -8.066 9.818 6.912 690 HE21 GLN 87 HE21 GLN 87 -9.500 7.663 8.175 691 HE22 GLN 87 HE22 GLN 87 -9.301 6.270 7.188 692 H GLN 88 H GLN 88 -4.301 9.673 10.010 693 HA GLN 88 HA GLN 88 -6.334 9.482 12.004 694 HB2 GLN 88 HB2 GLN 88 -4.616 8.683 13.466 695 HB3 GLN 88 HB1 GLN 88 -4.345 7.978 11.873 696 HG2 GLN 88 HG2 GLN 88 -2.640 9.694 11.442 697 HG3 GLN 88 HG1 GLN 88 -2.894 10.326 13.063 698 HE21 GLN 88 HE21 GLN 88 -0.543 9.329 11.870 699 HE22 GLN 88 HE22 GLN 88 0.008 7.987 12.801 700 H GLY 89 H GLY 89 -4.474 12.057 10.940 701 HA2 GLY 89 HA2 GLY 89 -4.324 13.353 13.538 702 HA3 GLY 89 HA1 GLY 89 -3.601 13.930 12.042 703 H GLN 90 H GLN 90 -4.452 15.752 11.492 704 HA GLN 90 HA GLN 90 -7.296 16.243 12.044 705 HB2 GLN 90 HB2 GLN 90 -5.052 18.188 11.550 706 HB3 GLN 90 HB1 GLN 90 -6.719 18.629 11.896 707 HG2 GLN 90 HG2 GLN 90 -6.563 17.680 14.102 708 HG3 GLN 90 HG1 GLN 90 -4.954 17.056 13.759 709 HE21 GLN 90 HE21 GLN 90 -6.005 20.243 12.734 710 HE22 GLN 90 HE22 GLN 90 -4.989 21.106 13.818 711 H GLY 91 H GLY 91 -4.948 15.889 9.561 712 HA2 GLY 91 HA2 GLY 91 -6.653 15.619 7.467 713 HA3 GLY 91 HA1 GLY 91 -6.334 17.351 7.552 714 H GLY 92 H GLY 92 -4.899 17.834 5.998 715 HA2 GLY 92 HA2 GLY 92 -2.737 18.014 5.245 716 HA3 GLY 92 HA1 GLY 92 -2.271 16.550 6.072 717 H GLN 93 H GLN 93 -4.660 15.247 4.934 718 HA GLN 93 HA GLN 93 -3.431 13.832 2.884 719 HB2 GLN 93 HB2 GLN 93 -6.405 14.222 3.208 720 HB3 GLN 93 HB1 GLN 93 -5.614 12.907 2.359 721 HG2 GLN 93 HG2 GLN 93 -4.644 12.130 4.468 722 HG3 GLN 93 HG1 GLN 93 -5.449 13.449 5.318 723 HE21 GLN 93 HE21 GLN 93 -7.724 13.396 5.510 724 HE22 GLN 93 HE22 GLN 93 -8.601 11.938 5.288 725 H GLN 94 H GLN 94 -5.388 16.713 2.692 726 HA GLN 94 HA GLN 94 -5.636 16.657 -0.169 727 HB2 GLN 94 HB2 GLN 94 -6.525 18.915 0.020 728 HB3 GLN 94 HB1 GLN 94 -7.308 17.825 1.159 729 HG2 GLN 94 HG2 GLN 94 -6.084 18.719 2.972 730 HG3 GLN 94 HG1 GLN 94 -5.014 19.576 1.872 731 HE21 GLN 94 HE21 GLN 94 -8.232 19.525 3.270 732 HE22 GLN 94 HE22 GLN 94 -8.630 21.138 2.873 733 H GLN 95 H GLN 95 -3.416 18.202 2.099 734 HA GLN 95 HA GLN 95 -2.231 19.716 -0.034 735 HB2 GLN 95 HB2 GLN 95 -0.629 20.558 1.638 736 HB3 GLN 95 HB1 GLN 95 -2.319 20.836 2.108 737 HG2 GLN 95 HG2 GLN 95 -2.167 19.019 3.624 738 HG3 GLN 95 HG1 GLN 95 -0.496 18.703 3.160 739 HE21 GLN 95 HE21 GLN 95 0.361 19.106 5.199 740 HE22 GLN 95 HE22 GLN 95 0.385 20.671 5.914 741 H VAL 96 H VAL 96 -1.349 17.107 2.075 742 HA VAL 96 HA VAL 96 1.180 16.474 1.070 743 HB VAL 96 HB VAL 96 -0.905 14.594 2.272 744 HG11 VAL 96 HG11 VAL 96 0.958 13.161 2.869 745 HG12 VAL 96 HG12 VAL 96 2.017 14.134 1.820 746 HG13 VAL 96 HG13 VAL 96 0.661 13.243 1.135 747 HG21 VAL 96 HG21 VAL 96 0.394 14.858 4.324 748 HG22 VAL 96 HG22 VAL 96 -0.361 16.346 3.794 749 HG23 VAL 96 HG23 VAL 96 1.378 16.094 3.537 750 H GLN 97 H GLN 97 -1.928 16.029 -0.331 751 HA GLN 97 HA GLN 97 -1.640 13.861 -2.025 752 HB2 GLN 97 HB2 GLN 97 -3.700 15.203 -1.791 753 HB3 GLN 97 HB1 GLN 97 -2.942 16.467 -2.753 754 HG2 GLN 97 HG2 GLN 97 -2.756 14.951 -4.633 755 HG3 GLN 97 HG1 GLN 97 -3.504 13.662 -3.709 756 HE21 GLN 97 HE21 GLN 97 -4.410 14.826 -6.188 757 HE22 GLN 97 HE22 GLN 97 -5.974 15.475 -5.877 758 H GLN 98 H GLN 98 -0.430 17.133 -2.478 759 HA GLN 98 HA GLN 98 0.360 16.812 -5.185 760 HB2 GLN 98 HB2 GLN 98 1.493 18.923 -4.959 761 HB3 GLN 98 HB1 GLN 98 -0.065 19.002 -4.147 762 HG2 GLN 98 HG2 GLN 98 1.064 18.632 -2.008 763 HG3 GLN 98 HG1 GLN 98 2.615 18.654 -2.841 764 HE21 GLN 98 HE21 GLN 98 -0.076 20.508 -1.784 765 HE22 GLN 98 HE22 GLN 98 0.625 22.061 -1.999 766 H MET 99 H MET 99 1.756 15.763 -2.273 767 HA MET 99 HA MET 99 4.439 15.523 -3.512 768 HB2 MET 99 HB2 MET 99 3.828 16.502 -1.090 769 HB3 MET 99 HB1 MET 99 3.801 14.825 -0.709 770 HG2 MET 99 HG2 MET 99 5.965 15.668 -0.203 771 HG3 MET 99 HG1 MET 99 6.029 14.480 -1.512 772 HE1 MET 99 HE1 MET 99 8.977 16.978 -2.292 773 HE2 MET 99 HE2 MET 99 8.547 15.299 -1.968 774 HE3 MET 99 HE3 MET 99 8.394 16.508 -0.694 775 H VAL 100 H VAL 100 2.043 13.775 -1.707 776 HA VAL 100 HA VAL 100 3.284 11.296 -2.049 777 HB VAL 100 HB VAL 100 1.520 11.637 -0.351 778 HG11 VAL 100 HG11 VAL 100 -0.020 12.934 -1.601 779 HG12 VAL 100 HG12 VAL 100 -0.842 11.509 -0.950 780 HG13 VAL 100 HG13 VAL 100 -0.394 11.577 -2.661 781 HG21 VAL 100 HG21 VAL 100 2.120 9.382 -0.929 782 HG22 VAL 100 HG22 VAL 100 0.976 9.418 -2.273 783 HG23 VAL 100 HG23 VAL 100 0.376 9.465 -0.607 784 H LYS 101 H LYS 101 1.290 13.069 -4.308 785 HA LYS 101 HA LYS 101 0.754 10.990 -6.065 786 HB2 LYS 101 HB2 LYS 101 0.527 12.673 -7.826 787 HB3 LYS 101 HB1 LYS 101 -0.255 13.184 -6.336 788 HG2 LYS 101 HG2 LYS 101 0.744 15.132 -7.122 789 HG3 LYS 101 HG1 LYS 101 1.883 14.507 -5.925 790 HD2 LYS 101 HD2 LYS 101 3.266 13.558 -7.699 791 HD3 LYS 101 HD1 LYS 101 2.113 14.099 -8.912 792 HE2 LYS 101 HE2 LYS 101 3.703 15.897 -7.082 793 HE3 LYS 101 HE1 LYS 101 4.107 15.543 -8.761 794 HZ1 LYS 101 HZ1 LYS 101 1.655 16.925 -7.812 795 HZ2 LYS 101 HZ2 LYS 101 2.004 16.564 -9.415 796 HZ3 LYS 101 HZ3 LYS 101 2.965 17.644 -8.580 797 H LYS 102 H LYS 102 3.809 12.510 -5.394 798 HA LYS 102 HA LYS 102 5.225 11.757 -7.712 799 HB2 LYS 102 HB2 LYS 102 6.096 12.156 -4.866 800 HB3 LYS 102 HB1 LYS 102 7.205 11.863 -6.197 801 HG2 LYS 102 HG2 LYS 102 6.712 13.933 -7.199 802 HG3 LYS 102 HG1 LYS 102 5.267 14.154 -6.207 803 HD2 LYS 102 HD2 LYS 102 7.178 15.545 -5.470 804 HD3 LYS 102 HD1 LYS 102 6.600 14.437 -4.228 805 HE2 LYS 102 HE2 LYS 102 8.937 14.397 -4.172 806 HE3 LYS 102 HE1 LYS 102 8.437 12.879 -4.873 807 HZ1 LYS 102 HZ1 LYS 102 8.922 13.815 -7.109 808 HZ2 LYS 102 HZ2 LYS 102 10.288 13.786 -6.133 809 HZ3 LYS 102 HZ3 LYS 102 9.477 15.218 -6.381 810 H ALA 103 H ALA 103 4.265 10.066 -4.835 811 HA ALA 103 HA ALA 103 5.920 7.768 -5.104 812 HB1 ALA 103 HB1 ALA 103 3.138 7.895 -3.932 813 HB2 ALA 103 HB2 ALA 103 4.630 8.211 -3.052 814 HB3 ALA 103 HB3 ALA 103 4.306 6.598 -3.687 815 H GLN 104 H GLN 104 3.054 8.791 -6.702 816 HA GLN 104 HA GLN 104 2.336 6.243 -7.758 817 HB2 GLN 104 HB2 GLN 104 1.573 8.998 -8.707 818 HB3 GLN 104 HB1 GLN 104 0.755 7.495 -9.116 819 HG2 GLN 104 HG2 GLN 104 0.132 7.193 -6.772 820 HG3 GLN 104 HG1 GLN 104 0.967 8.683 -6.363 821 HE21 GLN 104 HE21 GLN 104 0.057 10.053 -8.798 822 HE22 GLN 104 HE22 GLN 104 -1.602 10.402 -8.537 823 H MET 105 H MET 105 4.651 8.600 -8.518 824 HA MET 105 HA MET 105 4.951 7.834 -11.328 825 HB2 MET 105 HB2 MET 105 6.659 9.546 -9.653 826 HB3 MET 105 HB1 MET 105 6.638 9.520 -11.402 827 HG2 MET 105 HG2 MET 105 4.304 10.346 -11.372 828 HG3 MET 105 HG1 MET 105 4.415 10.518 -9.637 829 HE1 MET 105 HE1 MET 105 4.447 14.224 -11.083 830 HE2 MET 105 HE2 MET 105 3.536 13.050 -10.132 831 HE3 MET 105 HE3 MET 105 3.691 12.842 -11.875 832 H LEU 106 H LEU 106 6.092 7.061 -8.244 833 HA LEU 106 HA LEU 106 8.758 6.458 -8.527 834 HB2 LEU 106 HB2 LEU 106 6.688 5.740 -6.621 835 HB3 LEU 106 HB1 LEU 106 7.770 4.412 -6.906 836 HG LEU 106 HG LEU 106 8.416 5.783 -4.952 837 HD11 LEU 106 HD11 LEU 106 10.399 5.758 -7.215 838 HD12 LEU 106 HD12 LEU 106 10.062 4.433 -6.100 839 HD13 LEU 106 HD13 LEU 106 10.787 5.926 -5.503 840 HD21 LEU 106 HD21 LEU 106 9.434 7.974 -5.288 841 HD22 LEU 106 HD22 LEU 106 7.754 8.002 -5.825 842 HD23 LEU 106 HD23 LEU 106 9.056 7.909 -7.005 843 HA PRO 107 HA PRO 107 7.747 2.005 -10.069 844 HB2 PRO 107 HB2 PRO 107 5.232 2.380 -11.528 845 HB3 PRO 107 HB1 PRO 107 5.722 1.059 -10.470 846 HG2 PRO 107 HG2 PRO 107 3.896 2.886 -9.788 847 HG3 PRO 107 HG1 PRO 107 4.947 2.106 -8.588 848 HD2 PRO 107 HD2 PRO 107 5.090 4.888 -9.709 849 HD3 PRO 107 HD1 PRO 107 5.551 4.273 -8.119 850 H ASN 108 H ASN 108 6.918 4.951 -11.860 851 HA ASN 108 HA ASN 108 7.990 3.694 -14.203 852 HB2 ASN 108 HB2 ASN 108 6.401 6.057 -13.615 853 HB3 ASN 108 HB1 ASN 108 7.551 6.268 -14.933 854 HD21 ASN 108 HD21 ASN 108 4.671 4.711 -13.817 855 HD22 ASN 108 HD22 ASN 108 4.186 4.030 -15.318 856 H GLN 109 H GLN 109 8.846 6.101 -11.852 857 HA GLN 109 HA GLN 109 11.197 6.966 -13.221 858 HB2 GLN 109 HB2 GLN 109 10.352 7.296 -10.358 859 HB3 GLN 109 HB1 GLN 109 11.746 8.089 -11.079 860 HG2 GLN 109 HG2 GLN 109 10.311 9.264 -12.635 861 HG3 GLN 109 HG1 GLN 109 8.903 8.420 -12.000 862 HE21 GLN 109 HE21 GLN 109 9.823 8.612 -9.224 863 HE22 GLN 109 HE22 GLN 109 9.585 10.255 -8.779 864 H CYS 110 H CYS 110 10.569 4.528 -10.772 865 HA CYS 110 HA CYS 110 13.435 3.976 -10.488 866 HB2 CYS 110 HB2 CYS 110 11.687 4.021 -8.557 867 HB3 CYS 110 HB1 CYS 110 11.127 2.528 -9.208 868 H ASN 111 H ASN 111 11.043 3.257 -12.550 869 HA ASN 111 HA ASN 111 10.522 1.740 -14.074 870 HB2 ASN 111 HB2 ASN 111 12.863 2.227 -14.852 871 HB3 ASN 111 HB1 ASN 111 13.409 0.831 -13.927 872 HD21 ASN 111 HD21 ASN 111 14.163 -0.185 -15.813 873 HD22 ASN 111 HD22 ASN 111 13.081 -0.892 -16.956 874 H LEU 112 H LEU 112 9.402 1.024 -12.253 875 HA LEU 112 HA LEU 112 9.986 -1.720 -11.445 876 HB2 LEU 112 HB2 LEU 112 7.776 0.088 -10.456 877 HB3 LEU 112 HB1 LEU 112 8.339 -1.394 -9.722 878 HG LEU 112 HG LEU 112 9.897 1.170 -9.900 879 HD11 LEU 112 HD11 LEU 112 8.205 1.379 -8.185 880 HD12 LEU 112 HD12 LEU 112 9.771 1.145 -7.409 881 HD13 LEU 112 HD13 LEU 112 8.652 -0.189 -7.516 882 HD21 LEU 112 HD21 LEU 112 11.385 -0.696 -10.100 883 HD22 LEU 112 HD22 LEU 112 10.674 -1.469 -8.685 884 HD23 LEU 112 HD23 LEU 112 11.577 0.040 -8.513 885 H GLN 113 H GLN 113 8.180 -3.254 -11.503 886 HA GLN 113 HA GLN 113 7.106 -3.421 -14.174 887 HB2 GLN 113 HB2 GLN 113 6.829 -5.286 -11.836 888 HB3 GLN 113 HB1 GLN 113 6.450 -5.665 -13.511 889 HG2 GLN 113 HG2 GLN 113 8.776 -5.303 -14.106 890 HG3 GLN 113 HG1 GLN 113 9.121 -4.943 -12.412 891 HE21 GLN 113 HE21 GLN 113 7.330 -7.023 -11.423 892 HE22 GLN 113 HE22 GLN 113 8.127 -8.521 -11.705 893 H CYS 114 H CYS 114 5.896 -1.420 -12.608 894 HA CYS 114 HA CYS 114 3.128 -2.259 -12.651 895 HB2 CYS 114 HB2 CYS 114 4.738 -1.459 -10.375 896 HB3 CYS 114 HB1 CYS 114 2.972 -1.192 -10.254 897 H SER 115 H SER 115 1.762 -0.246 -12.289 898 HA SER 115 HA SER 115 3.131 2.262 -12.325 899 HB2 SER 115 HB2 SER 115 1.298 1.401 -14.591 900 HB3 SER 115 HB1 SER 115 1.870 3.052 -14.344 901 HG SER 115 HG SER 115 3.915 1.289 -14.301 902 H ILE 116 H ILE 116 1.901 3.772 -11.265 903 HA ILE 116 HA ILE 116 -0.511 2.697 -10.060 904 HB ILE 116 HB ILE 116 0.873 5.335 -9.445 905 HG12 ILE 116 HG12 ILE 116 2.325 3.443 -8.879 906 HG13 ILE 116 HG11 ILE 116 1.746 4.234 -7.424 907 HG21 ILE 116 HG21 ILE 116 -0.467 5.292 -7.367 908 HG22 ILE 116 HG22 ILE 116 -1.280 3.840 -7.944 909 HG23 ILE 116 HG23 ILE 116 -1.474 5.362 -8.813 910 HD11 ILE 116 HD11 ILE 116 0.102 2.448 -7.121 911 HD12 ILE 116 HD12 ILE 116 1.753 1.828 -7.170 912 HD13 ILE 116 HD13 ILE 116 0.706 1.657 -8.578 Start of MODEL 16 1 H1 GLY 1 H GLY 1 -10.169 -4.856 -9.234 2 H2 GLY 1 HT1 GLY 1 -10.989 -3.330 -9.475 3 H3 GLY 1 HT2 GLY 1 -10.497 -4.913 -9.250 4 HA2 GLY 1 HA1 GLY 1 -10.415 -4.517 -6.845 5 HA3 GLY 1 HA2 GLY 1 -10.973 -2.873 -7.152 6 H ARG 2 H ARG 2 -12.768 -3.395 -5.786 7 HA ARG 2 HA ARG 2 -14.655 -5.414 -6.615 8 HB2 ARG 2 HB2 ARG 2 -15.173 -3.106 -4.749 9 HB3 ARG 2 HB1 ARG 2 -16.073 -4.605 -4.872 10 HG2 ARG 2 HG2 ARG 2 -13.279 -4.267 -3.862 11 HG3 ARG 2 HG1 ARG 2 -14.725 -4.548 -2.886 12 HD2 ARG 2 HD2 ARG 2 -13.590 -6.454 -4.931 13 HD3 ARG 2 HD1 ARG 2 -13.321 -6.556 -3.197 14 HE ARG 2 HE ARG 2 -16.081 -6.521 -3.899 15 HH11 ARG 2 HH11 ARG 2 -13.226 -8.575 -3.546 16 HH12 ARG 2 HH12 ARG 2 -14.087 -10.017 -3.297 17 HH21 ARG 2 HH21 ARG 2 -17.281 -8.466 -3.602 18 HH22 ARG 2 HH22 ARG 2 -16.490 -9.954 -3.317 19 H CYS 3 H CYS 3 -16.495 -5.120 -7.628 20 HA CYS 3 HA CYS 3 -17.131 -2.466 -8.628 21 HB2 CYS 3 HB2 CYS 3 -16.933 -4.919 -10.396 22 HB3 CYS 3 HB1 CYS 3 -17.448 -3.314 -10.892 23 H THR 4 H THR 4 -19.308 -2.231 -9.172 24 HA THR 4 HA THR 4 -21.079 -3.732 -7.590 25 HB THR 4 HB THR 4 -22.836 -2.387 -8.723 26 HG1 THR 4 HG1 THR 4 -22.341 -1.063 -10.330 27 HG21 THR 4 HG21 THR 4 -21.675 -1.441 -6.801 28 HG22 THR 4 HG22 THR 4 -22.030 -0.179 -7.986 29 HG23 THR 4 HG23 THR 4 -20.398 -0.833 -7.855 30 H LYS 5 H LYS 5 -22.855 -5.051 -8.349 31 HA LYS 5 HA LYS 5 -22.208 -6.484 -10.772 32 HB2 LYS 5 HB2 LYS 5 -24.535 -6.968 -8.889 33 HB3 LYS 5 HB1 LYS 5 -23.970 -8.045 -10.149 34 HG2 LYS 5 HG2 LYS 5 -22.555 -7.353 -7.581 35 HG3 LYS 5 HG1 LYS 5 -23.280 -8.900 -8.016 36 HD2 LYS 5 HD2 LYS 5 -21.633 -9.055 -9.889 37 HD3 LYS 5 HD1 LYS 5 -20.876 -7.589 -9.275 38 HE2 LYS 5 HE2 LYS 5 -19.644 -9.486 -8.460 39 HE3 LYS 5 HE1 LYS 5 -20.488 -8.733 -7.111 40 HZ1 LYS 5 HZ1 LYS 5 -21.362 -11.156 -8.575 41 HZ2 LYS 5 HZ2 LYS 5 -22.183 -10.484 -7.265 42 HZ3 LYS 5 HZ3 LYS 5 -20.642 -11.142 -7.057 43 H SER 6 H SER 6 -22.561 -4.513 -12.002 44 HA SER 6 HA SER 6 -25.259 -4.476 -13.026 45 HB2 SER 6 HB2 SER 6 -25.132 -2.680 -11.262 46 HB3 SER 6 HB1 SER 6 -23.824 -1.940 -12.183 47 HG SER 6 HG SER 6 -26.534 -2.139 -12.713 48 H ILE 7 H ILE 7 -25.213 -3.172 -15.086 49 HA ILE 7 HA ILE 7 -22.557 -3.080 -16.323 50 HB ILE 7 HB ILE 7 -25.110 -4.142 -17.585 51 HG12 ILE 7 HG12 ILE 7 -23.895 -5.750 -16.143 52 HG13 ILE 7 HG11 ILE 7 -23.938 -6.272 -17.830 53 HG21 ILE 7 HG21 ILE 7 -22.434 -3.676 -18.905 54 HG22 ILE 7 HG22 ILE 7 -23.925 -2.790 -19.219 55 HG23 ILE 7 HG23 ILE 7 -23.808 -4.496 -19.647 56 HD11 ILE 7 HD11 ILE 7 -21.614 -5.032 -16.354 57 HD12 ILE 7 HD12 ILE 7 -21.610 -5.459 -18.064 58 HD13 ILE 7 HD13 ILE 7 -21.777 -6.720 -16.841 59 HA PRO 8 HA PRO 8 -21.321 -1.856 -17.359 60 HB2 PRO 8 HB2 PRO 8 -20.119 0.532 -16.930 61 HB3 PRO 8 HB1 PRO 8 -20.745 0.051 -18.512 62 HG2 PRO 8 HG2 PRO 8 -21.994 1.824 -16.447 63 HG3 PRO 8 HG1 PRO 8 -21.891 2.056 -18.202 64 HD2 PRO 8 HD2 PRO 8 -24.123 1.118 -16.977 65 HD3 PRO 8 HD1 PRO 8 -23.657 0.635 -18.620 66 HA PRO 9 HA PRO 9 -20.852 -2.277 -12.998 67 HB2 PRO 9 HB2 PRO 9 -18.269 -3.069 -12.842 68 HB3 PRO 9 HB1 PRO 9 -19.562 -4.126 -13.425 69 HG2 PRO 9 HG2 PRO 9 -17.562 -2.534 -14.972 70 HG3 PRO 9 HG1 PRO 9 -18.144 -4.186 -15.268 71 HD2 PRO 9 HD2 PRO 9 -19.043 -2.020 -16.645 72 HD3 PRO 9 HD1 PRO 9 -20.045 -3.450 -16.331 73 H ILE 10 H ILE 10 -20.381 -0.926 -11.355 74 HA ILE 10 HA ILE 10 -18.655 1.374 -11.862 75 HB ILE 10 HB ILE 10 -20.454 0.780 -9.492 76 HG12 ILE 10 HG12 ILE 10 -21.816 0.852 -11.513 77 HG13 ILE 10 HG11 ILE 10 -22.134 2.258 -10.502 78 HG21 ILE 10 HG21 ILE 10 -18.741 2.425 -9.023 79 HG22 ILE 10 HG22 ILE 10 -20.332 3.191 -9.061 80 HG23 ILE 10 HG23 ILE 10 -19.232 3.368 -10.431 81 HD11 ILE 10 HD11 ILE 10 -20.450 2.193 -12.999 82 HD12 ILE 10 HD12 ILE 10 -20.726 3.613 -11.988 83 HD13 ILE 10 HD13 ILE 10 -22.075 2.867 -12.850 84 H CYS 11 H CYS 11 -16.629 1.343 -10.950 85 HA CYS 11 HA CYS 11 -16.169 -0.811 -9.060 86 HB2 CYS 11 HB2 CYS 11 -14.251 0.405 -11.034 87 HB3 CYS 11 HB1 CYS 11 -13.870 -0.867 -9.876 88 H PHE 12 H PHE 12 -15.031 -0.525 -7.310 89 HA PHE 12 HA PHE 12 -14.733 2.249 -6.428 90 HB2 PHE 12 HB2 PHE 12 -15.317 -0.310 -4.977 91 HB3 PHE 12 HB1 PHE 12 -14.814 1.143 -4.126 92 HD1 PHE 12 HD1 PHE 12 -17.543 -0.524 -5.849 93 HD2 PHE 12 HD2 PHE 12 -16.202 3.136 -4.154 94 HE1 PHE 12 HE1 PHE 12 -19.856 0.316 -5.831 95 HE2 PHE 12 HE2 PHE 12 -18.480 3.984 -4.128 96 HZ PHE 12 HZ PHE 12 -20.332 2.576 -4.964 97 HA PRO 13 HA PRO 13 -10.416 1.361 -5.688 98 HB2 PRO 13 HB2 PRO 13 -9.854 3.266 -3.829 99 HB3 PRO 13 HB1 PRO 13 -10.127 3.663 -5.526 100 HG2 PRO 13 HG2 PRO 13 -11.896 4.055 -3.191 101 HG3 PRO 13 HG1 PRO 13 -11.792 4.973 -4.699 102 HD2 PRO 13 HD2 PRO 13 -13.701 3.022 -4.023 103 HD3 PRO 13 HD1 PRO 13 -13.473 3.750 -5.613 104 H ASP 14 H ASP 14 -11.871 -0.475 -4.602 105 HA ASP 14 HA ASP 14 -10.831 -0.982 -1.941 106 HB2 ASP 14 HB2 ASP 14 -13.071 0.003 -1.619 107 HB3 ASP 14 HB1 ASP 14 -13.748 -1.165 -2.742 108 H GLY 15 H GLY 15 -10.768 -3.254 -1.574 109 HA2 GLY 15 HA2 GLY 15 -11.399 -5.488 -2.359 110 HA3 GLY 15 HA1 GLY 15 -11.095 -4.878 -3.990 111 H LEU 16 H LEU 16 -9.068 -4.239 -4.558 112 HA LEU 16 HA LEU 16 -6.878 -4.263 -2.960 113 HB2 LEU 16 HB2 LEU 16 -5.645 -6.266 -3.576 114 HB3 LEU 16 HB1 LEU 16 -7.142 -6.715 -2.808 115 HG LEU 16 HG LEU 16 -7.999 -7.117 -5.219 116 HD11 LEU 16 HD11 LEU 16 -5.027 -7.239 -5.716 117 HD12 LEU 16 HD12 LEU 16 -6.133 -6.037 -6.363 118 HD13 LEU 16 HD13 LEU 16 -6.296 -7.734 -6.848 119 HD21 LEU 16 HD21 LEU 16 -5.912 -8.889 -3.969 120 HD22 LEU 16 HD22 LEU 16 -7.088 -9.390 -5.186 121 HD23 LEU 16 HD23 LEU 16 -7.635 -8.870 -3.590 122 H ASP 17 H ASP 17 -5.188 -3.472 -3.976 123 HA ASP 17 HA ASP 17 -5.157 -3.536 -6.884 124 HB2 ASP 17 HB2 ASP 17 -4.417 -1.226 -7.068 125 HB3 ASP 17 HB1 ASP 17 -5.936 -1.265 -6.189 126 H ASN 18 H ASN 18 -4.046 -4.813 -4.475 127 HA ASN 18 HA ASN 18 -1.175 -4.532 -4.904 128 HB2 ASN 18 HB2 ASN 18 -2.090 -4.512 -2.568 129 HB3 ASN 18 HB1 ASN 18 -2.773 -6.103 -2.841 130 HD21 ASN 18 HD21 ASN 18 -1.664 -6.880 -1.053 131 HD22 ASN 18 HD22 ASN 18 0.027 -7.160 -1.056 132 HA PRO 19 HA PRO 19 -2.459 -7.714 -7.930 133 HB2 PRO 19 HB2 PRO 19 0.346 -7.415 -8.823 134 HB3 PRO 19 HB1 PRO 19 -1.161 -7.303 -9.732 135 HG2 PRO 19 HG2 PRO 19 0.226 -5.115 -9.135 136 HG3 PRO 19 HG1 PRO 19 -1.547 -5.119 -9.108 137 HD2 PRO 19 HD2 PRO 19 0.380 -5.289 -6.827 138 HD3 PRO 19 HD1 PRO 19 -1.128 -4.359 -6.971 139 H ARG 20 H ARG 20 0.849 -7.991 -6.547 140 HA ARG 20 HA ARG 20 0.569 -10.892 -6.853 141 HB2 ARG 20 HB2 ARG 20 2.915 -9.396 -5.635 142 HB3 ARG 20 HB1 ARG 20 2.858 -11.105 -5.997 143 HG2 ARG 20 HG2 ARG 20 4.175 -10.154 -7.671 144 HG3 ARG 20 HG1 ARG 20 2.592 -10.411 -8.420 145 HD2 ARG 20 HD2 ARG 20 2.003 -8.134 -7.966 146 HD3 ARG 20 HD1 ARG 20 3.549 -7.859 -7.202 147 HE ARG 20 HE ARG 20 3.986 -8.809 -9.804 148 HH11 ARG 20 HH11 ARG 20 2.835 -5.876 -8.136 149 HH12 ARG 20 HH12 ARG 20 3.368 -4.853 -9.371 150 HH21 ARG 20 HH21 ARG 20 4.661 -7.377 -11.462 151 HH22 ARG 20 HH22 ARG 20 4.423 -5.692 -11.339 152 H GLY 21 H GLY 21 1.042 -8.453 -4.470 153 HA2 GLY 21 HA2 GLY 21 0.065 -8.550 -2.283 154 HA3 GLY 21 HA1 GLY 21 -0.084 -10.316 -2.536 155 H CYS 22 H CYS 22 2.560 -8.250 -3.135 156 HA CYS 22 HA CYS 22 4.327 -9.920 -1.714 157 HB2 CYS 22 HB2 CYS 22 4.519 -7.255 -2.999 158 HB3 CYS 22 HB1 CYS 22 5.864 -7.908 -2.107 159 H GLN 23 H GLN 23 5.098 -9.656 0.302 160 HA GLN 23 HA GLN 23 4.011 -7.426 1.797 161 HB2 GLN 23 HB2 GLN 23 4.600 -8.644 3.801 162 HB3 GLN 23 HB1 GLN 23 3.673 -9.675 2.708 163 HG2 GLN 23 HG2 GLN 23 5.700 -10.795 2.019 164 HG3 GLN 23 HG1 GLN 23 6.661 -9.742 3.049 165 HE21 GLN 23 HE21 GLN 23 7.475 -11.374 4.257 166 HE22 GLN 23 HE22 GLN 23 6.538 -12.288 5.381 167 H ILE 24 H ILE 24 5.275 -5.777 2.258 168 HA ILE 24 HA ILE 24 8.123 -6.111 1.819 169 HB ILE 24 HB ILE 24 6.515 -3.595 1.244 170 HG12 ILE 24 HG12 ILE 24 7.311 -4.142 -1.199 171 HG13 ILE 24 HG11 ILE 24 7.461 -5.784 -0.540 172 HG21 ILE 24 HG21 ILE 24 9.379 -4.307 0.664 173 HG22 ILE 24 HG22 ILE 24 8.811 -3.067 1.803 174 HG23 ILE 24 HG23 ILE 24 8.545 -2.885 0.055 175 HD11 ILE 24 HD11 ILE 24 5.095 -5.758 -0.043 176 HD12 ILE 24 HD12 ILE 24 5.450 -5.505 -1.747 177 HD13 ILE 24 HD13 ILE 24 4.970 -4.134 -0.739 178 H ARG 25 H ARG 25 9.479 -4.988 3.229 179 HA ARG 25 HA ARG 25 8.543 -4.798 5.853 180 HB2 ARG 25 HB2 ARG 25 10.865 -4.064 6.363 181 HB3 ARG 25 HB1 ARG 25 10.829 -5.481 5.331 182 HG2 ARG 25 HG2 ARG 25 11.159 -3.936 3.349 183 HG3 ARG 25 HG1 ARG 25 11.341 -2.660 4.519 184 HD2 ARG 25 HD2 ARG 25 13.307 -3.609 5.417 185 HD3 ARG 25 HD1 ARG 25 13.091 -5.093 4.472 186 HE ARG 25 HE ARG 25 13.102 -3.094 2.622 187 HH11 ARG 25 HH11 ARG 25 15.484 -4.060 5.059 188 HH12 ARG 25 HH12 ARG 25 16.812 -3.587 4.106 189 HH21 ARG 25 HH21 ARG 25 14.873 -2.455 1.347 190 HH22 ARG 25 HH22 ARG 25 16.461 -2.637 1.903 191 H ILE 26 H ILE 26 7.564 -3.178 6.821 192 HA ILE 26 HA ILE 26 6.987 -0.791 5.402 193 HB ILE 26 HB ILE 26 5.731 -0.048 7.408 194 HG12 ILE 26 HG12 ILE 26 5.345 -1.851 9.221 195 HG13 ILE 26 HG11 ILE 26 6.838 -2.578 8.661 196 HG21 ILE 26 HG21 ILE 26 4.042 -1.808 7.335 197 HG22 ILE 26 HG22 ILE 26 5.208 -2.848 6.512 198 HG23 ILE 26 HG23 ILE 26 4.656 -1.361 5.740 199 HD11 ILE 26 HD11 ILE 26 6.519 0.173 9.848 200 HD12 ILE 26 HD12 ILE 26 8.029 -0.509 9.253 201 HD13 ILE 26 HD13 ILE 26 7.225 -1.237 10.640 202 H GLN 27 H GLN 27 9.537 -1.657 7.263 203 HA GLN 27 HA GLN 27 10.113 0.888 8.434 204 HB2 GLN 27 HB2 GLN 27 12.264 -0.104 9.072 205 HB3 GLN 27 HB1 GLN 27 10.900 -1.141 9.484 206 HG2 GLN 27 HG2 GLN 27 11.349 -2.545 7.568 207 HG3 GLN 27 HG1 GLN 27 12.670 -1.492 7.080 208 HE21 GLN 27 HE21 GLN 27 11.601 -3.840 9.411 209 HE22 GLN 27 HE22 GLN 27 13.164 -4.182 10.041 210 H GLN 28 H GLN 28 10.588 -0.545 5.357 211 HA GLN 28 HA GLN 28 12.826 1.164 4.795 212 HB2 GLN 28 HB2 GLN 28 13.073 0.064 2.729 213 HB3 GLN 28 HB1 GLN 28 12.517 -1.159 3.870 214 HG2 GLN 28 HG2 GLN 28 10.393 -1.244 2.954 215 HG3 GLN 28 HG1 GLN 28 10.621 0.264 2.068 216 HE21 GLN 28 HE21 GLN 28 10.101 -0.651 0.136 217 HE22 GLN 28 HE22 GLN 28 11.135 -1.777 -0.670 218 H LEU 29 H LEU 29 9.378 1.011 4.191 219 HA LEU 29 HA LEU 29 9.481 3.167 2.297 220 HB2 LEU 29 HB2 LEU 29 7.094 1.884 3.589 221 HB3 LEU 29 HB1 LEU 29 7.013 3.177 2.419 222 HG LEU 29 HG LEU 29 6.575 1.411 1.119 223 HD11 LEU 29 HD11 LEU 29 8.526 0.838 -0.258 224 HD12 LEU 29 HD12 LEU 29 9.564 1.553 0.983 225 HD13 LEU 29 HD13 LEU 29 8.405 2.555 0.133 226 HD21 LEU 29 HD21 LEU 29 6.753 -0.313 2.779 227 HD22 LEU 29 HD22 LEU 29 8.510 -0.240 2.722 228 HD23 LEU 29 HD23 LEU 29 7.607 -0.839 1.323 229 H ASN 30 H ASN 30 9.670 2.957 5.512 230 HA ASN 30 HA ASN 30 8.168 5.028 6.540 231 HB2 ASN 30 HB2 ASN 30 9.530 3.471 7.901 232 HB3 ASN 30 HB1 ASN 30 10.984 4.278 7.330 233 HD21 ASN 30 HD21 ASN 30 11.633 4.915 9.345 234 HD22 ASN 30 HD22 ASN 30 10.820 6.122 10.270 235 H HIS 31 H HIS 31 11.128 5.091 4.672 236 HA HIS 31 HA HIS 31 11.763 7.830 5.164 237 HB2 HIS 31 HB2 HIS 31 13.307 5.955 4.177 238 HB3 HIS 31 HB1 HIS 31 12.547 6.399 2.645 239 HD1 HIS 31 HD1 HIS 31 15.529 7.033 4.211 240 HD2 HIS 31 HD2 HIS 31 12.635 9.507 2.554 241 HE1 HIS 31 HE1 HIS 31 16.652 9.229 3.784 242 H CYS 32 H CYS 32 10.416 6.155 2.327 243 HA CYS 32 HA CYS 32 9.759 8.401 0.837 244 HB2 CYS 32 HB2 CYS 32 9.271 5.557 0.733 245 HB3 CYS 32 HB1 CYS 32 7.839 6.440 0.177 246 H GLN 33 H GLN 33 7.743 6.524 3.096 247 HA GLN 33 HA GLN 33 5.405 7.872 3.000 248 HB2 GLN 33 HB2 GLN 33 5.639 5.859 4.205 249 HB3 GLN 33 HB1 GLN 33 6.900 6.537 5.214 250 HG2 GLN 33 HG2 GLN 33 5.379 8.041 6.172 251 HG3 GLN 33 HG1 GLN 33 4.015 7.395 5.246 252 HE21 GLN 33 HE21 GLN 33 6.617 5.567 6.710 253 HE22 GLN 33 HE22 GLN 33 5.681 4.692 7.858 254 H MET 34 H MET 34 8.115 8.537 5.262 255 HA MET 34 HA MET 34 6.731 10.756 6.382 256 HB2 MET 34 HB2 MET 34 8.710 11.311 7.642 257 HB3 MET 34 HB1 MET 34 8.413 9.573 7.719 258 HG2 MET 34 HG2 MET 34 10.232 9.217 6.136 259 HG3 MET 34 HG1 MET 34 10.465 10.963 6.019 260 HE1 MET 34 HE1 MET 34 12.813 8.853 6.732 261 HE2 MET 34 HE2 MET 34 13.646 9.722 8.018 262 HE3 MET 34 HE3 MET 34 13.088 10.591 6.590 263 H HIS 35 H HIS 35 9.171 10.514 3.950 264 HA HIS 35 HA HIS 35 9.400 13.333 3.770 265 HB2 HIS 35 HB2 HIS 35 10.631 11.116 2.256 266 HB3 HIS 35 HB1 HIS 35 10.608 12.697 1.486 267 HD1 HIS 35 HD1 HIS 35 12.291 14.435 2.353 268 HD2 HIS 35 HD2 HIS 35 12.051 11.033 4.728 269 HE1 HIS 35 HE1 HIS 35 14.120 14.643 4.044 270 H LEU 36 H LEU 36 7.331 11.093 2.106 271 HA LEU 36 HA LEU 36 6.489 13.124 0.265 272 HB2 LEU 36 HB2 LEU 36 5.200 10.510 1.011 273 HB3 LEU 36 HB1 LEU 36 4.561 11.606 -0.206 274 HG LEU 36 HG LEU 36 7.223 10.200 -0.298 275 HD11 LEU 36 HD11 LEU 36 6.254 8.898 -2.126 276 HD12 LEU 36 HD12 LEU 36 4.712 9.713 -1.889 277 HD13 LEU 36 HD13 LEU 36 5.361 8.668 -0.624 278 HD21 LEU 36 HD21 LEU 36 7.358 12.330 -1.452 279 HD22 LEU 36 HD22 LEU 36 5.885 11.962 -2.348 280 HD23 LEU 36 HD23 LEU 36 7.343 11.014 -2.626 281 H THR 37 H THR 37 5.571 12.211 3.528 282 HA THR 37 HA THR 37 3.269 13.921 3.287 283 HB THR 37 HB THR 37 2.833 13.336 5.630 284 HG1 THR 37 HG1 THR 37 4.385 11.429 6.204 285 HG21 THR 37 HG21 THR 37 2.479 10.927 5.275 286 HG22 THR 37 HG22 THR 37 3.546 10.996 3.873 287 HG23 THR 37 HG23 THR 37 2.018 11.873 3.859 288 H SER 38 H SER 38 6.504 14.318 3.894 289 HA SER 38 HA SER 38 6.271 16.652 5.596 290 HB2 SER 38 HB2 SER 38 8.146 15.073 5.935 291 HB3 SER 38 HB1 SER 38 8.687 15.370 4.289 292 HG SER 38 HG SER 38 8.784 17.014 6.544 293 H PHE 39 H PHE 39 6.657 18.735 4.918 294 HA PHE 39 HA PHE 39 7.174 19.108 2.078 295 HB2 PHE 39 HB2 PHE 39 5.272 20.633 3.828 296 HB3 PHE 39 HB1 PHE 39 5.948 21.357 2.372 297 HD1 PHE 39 HD1 PHE 39 5.583 20.254 0.185 298 HD2 PHE 39 HD2 PHE 39 3.495 19.092 3.701 299 HE1 PHE 39 HE1 PHE 39 3.896 19.133 -1.198 300 HE2 PHE 39 HE2 PHE 39 1.806 17.971 2.321 301 HZ PHE 39 HZ PHE 39 2.010 17.991 -0.133 302 H ASP 40 H ASP 40 8.802 20.235 1.527 303 HA ASP 40 HA ASP 40 10.564 21.181 3.486 304 HB2 ASP 40 HB2 ASP 40 11.808 22.053 1.344 305 HB3 ASP 40 HB1 ASP 40 11.811 20.367 1.824 306 H TYR 41 H TYR 41 10.349 22.700 4.499 307 HA TYR 41 HA TYR 41 9.140 25.218 3.552 308 HB2 TYR 41 HB2 TYR 41 8.620 25.669 5.846 309 HB3 TYR 41 HB1 TYR 41 8.286 23.960 5.527 310 HD1 TYR 41 HD1 TYR 41 10.017 26.233 7.669 311 HD2 TYR 41 HD2 TYR 41 10.105 22.244 6.196 312 HE1 TYR 41 HE1 TYR 41 11.526 25.584 9.498 313 HE2 TYR 41 HE2 TYR 41 11.599 21.597 7.966 314 HH TYR 41 HH TYR 41 12.225 23.667 10.678 315 H LYS 42 H LYS 42 12.040 23.738 4.450 316 HA LYS 42 HA LYS 42 13.364 26.116 5.307 317 HB2 LYS 42 HB2 LYS 42 15.259 24.737 5.780 318 HB3 LYS 42 HB1 LYS 42 13.795 23.848 6.183 319 HG2 LYS 42 HG2 LYS 42 15.515 23.380 3.731 320 HG3 LYS 42 HG1 LYS 42 15.519 22.403 5.194 321 HD2 LYS 42 HD2 LYS 42 13.092 21.938 4.757 322 HD3 LYS 42 HD1 LYS 42 13.285 22.737 3.201 323 HE2 LYS 42 HE2 LYS 42 13.509 20.395 2.802 324 HE3 LYS 42 HE1 LYS 42 15.127 21.085 2.695 325 HZ1 LYS 42 HZ1 LYS 42 13.991 19.654 5.037 326 HZ2 LYS 42 HZ2 LYS 42 15.541 20.293 4.955 327 HZ3 LYS 42 HZ3 LYS 42 15.097 19.022 3.936 328 H LEU 43 H LEU 43 12.294 25.590 2.494 329 HA LEU 43 HA LEU 43 14.438 25.784 0.674 330 HB2 LEU 43 HB2 LEU 43 11.606 26.753 0.391 331 HB3 LEU 43 HB1 LEU 43 12.759 26.561 -0.903 332 HG LEU 43 HG LEU 43 11.622 24.336 0.766 333 HD11 LEU 43 HD11 LEU 43 9.989 25.322 -0.695 334 HD12 LEU 43 HD12 LEU 43 10.463 23.734 -1.291 335 HD13 LEU 43 HD13 LEU 43 11.088 25.192 -2.072 336 HD21 LEU 43 HD21 LEU 43 13.458 24.269 -1.635 337 HD22 LEU 43 HD22 LEU 43 12.706 22.867 -0.867 338 HD23 LEU 43 HD23 LEU 43 13.887 23.825 0.021 339 H ARG 44 H ARG 44 15.830 27.300 0.897 340 HA ARG 44 HA ARG 44 15.074 30.057 1.475 341 HB2 ARG 44 HB2 ARG 44 17.772 28.686 1.416 342 HB3 ARG 44 HB1 ARG 44 17.501 30.362 1.870 343 HG2 ARG 44 HG2 ARG 44 16.287 29.732 3.811 344 HG3 ARG 44 HG1 ARG 44 16.229 28.047 3.301 345 HD2 ARG 44 HD2 ARG 44 17.889 28.375 5.055 346 HD3 ARG 44 HD1 ARG 44 18.644 27.881 3.544 347 HE ARG 44 HE ARG 44 18.560 30.711 3.913 348 HH11 ARG 44 HH11 ARG 44 20.381 27.775 4.657 349 HH12 ARG 44 HH12 ARG 44 21.872 28.565 4.879 350 HH21 ARG 44 HH21 ARG 44 20.623 31.820 4.258 351 HH22 ARG 44 HH22 ARG 44 22.009 30.926 4.675 352 H MET 45 H MET 45 17.536 28.531 -0.604 353 HA MET 45 HA MET 45 16.768 30.447 -2.707 354 HB2 MET 45 HB2 MET 45 19.407 29.033 -2.262 355 HB3 MET 45 HB1 MET 45 19.018 29.926 -3.721 356 HG2 MET 45 HG2 MET 45 18.754 31.966 -2.395 357 HG3 MET 45 HG1 MET 45 19.152 31.057 -0.941 358 HE1 MET 45 HE1 MET 45 20.816 30.641 -4.521 359 HE2 MET 45 HE2 MET 45 22.141 31.796 -4.404 360 HE3 MET 45 HE3 MET 45 20.474 32.368 -4.408 361 H ALA 46 H ALA 46 16.057 27.527 -1.829 362 HA ALA 46 HA ALA 46 16.246 26.381 -4.507 363 HB1 ALA 46 HB1 ALA 46 15.907 24.220 -3.455 364 HB2 ALA 46 HB2 ALA 46 15.734 25.002 -1.888 365 HB3 ALA 46 HB3 ALA 46 17.288 25.051 -2.730 366 H VAL 47 H VAL 47 14.464 26.173 -5.588 367 HA VAL 47 HA VAL 47 11.856 26.254 -4.198 368 HB VAL 47 HB VAL 47 12.382 26.435 -7.194 369 HG11 VAL 47 HG11 VAL 47 9.901 27.052 -5.597 370 HG12 VAL 47 HG12 VAL 47 10.150 25.657 -6.646 371 HG13 VAL 47 HG13 VAL 47 10.086 27.279 -7.337 372 HG21 VAL 47 HG21 VAL 47 11.977 28.840 -7.032 373 HG22 VAL 47 HG22 VAL 47 13.380 28.369 -6.072 374 HG23 VAL 47 HG23 VAL 47 11.840 28.704 -5.280 375 H GLU 48 H GLU 48 13.643 24.728 -6.800 376 HA GLU 48 HA GLU 48 12.790 22.102 -5.916 377 HB2 GLU 48 HB2 GLU 48 13.140 23.089 -8.766 378 HB3 GLU 48 HB1 GLU 48 12.930 21.407 -8.327 379 HG2 GLU 48 HG2 GLU 48 10.690 21.873 -7.520 380 HG3 GLU 48 HG1 GLU 48 10.906 23.588 -7.873 381 H ASN 49 H ASN 49 14.588 20.688 -5.888 382 HA ASN 49 HA ASN 49 17.095 21.512 -6.997 383 HB2 ASN 49 HB2 ASN 49 17.057 22.933 -4.968 384 HB3 ASN 49 HB1 ASN 49 16.759 21.528 -3.963 385 HD21 ASN 49 HD21 ASN 49 19.108 23.337 -5.744 386 HD22 ASN 49 HD22 ASN 49 20.493 22.455 -5.195 387 HA PRO 50 HA PRO 50 17.646 17.085 -7.188 388 HB2 PRO 50 HB2 PRO 50 20.370 17.067 -6.489 389 HB3 PRO 50 HB1 PRO 50 19.716 17.178 -8.125 390 HG2 PRO 50 HG2 PRO 50 20.620 19.348 -6.284 391 HG3 PRO 50 HG1 PRO 50 20.846 19.196 -8.041 392 HD2 PRO 50 HD2 PRO 50 19.042 20.857 -7.106 393 HD3 PRO 50 HD1 PRO 50 18.619 19.815 -8.487 394 H LYS 51 H LYS 51 19.049 18.801 -4.400 395 HA LYS 51 HA LYS 51 19.307 16.433 -2.854 396 HB2 LYS 51 HB2 LYS 51 19.438 19.315 -2.073 397 HB3 LYS 51 HB1 LYS 51 19.665 17.971 -0.958 398 HG2 LYS 51 HG2 LYS 51 21.524 17.172 -2.345 399 HG3 LYS 51 HG1 LYS 51 21.333 18.591 -3.379 400 HD2 LYS 51 HD2 LYS 51 23.115 18.890 -1.733 401 HD3 LYS 51 HD1 LYS 51 21.791 20.041 -1.514 402 HE2 LYS 51 HE2 LYS 51 20.893 18.754 0.321 403 HE3 LYS 51 HE1 LYS 51 22.058 17.466 0.060 404 HZ1 LYS 51 HZ1 LYS 51 23.818 19.008 0.680 405 HZ2 LYS 51 HZ2 LYS 51 22.687 18.869 1.920 406 HZ3 LYS 51 HZ3 LYS 51 22.695 20.237 0.931 407 H GLN 52 H GLN 52 16.630 18.315 -3.589 408 HA GLN 52 HA GLN 52 15.263 17.704 -1.123 409 HB2 GLN 52 HB2 GLN 52 14.117 18.719 -3.738 410 HB3 GLN 52 HB1 GLN 52 13.298 18.700 -2.182 411 HG2 GLN 52 HG2 GLN 52 15.748 20.294 -2.853 412 HG3 GLN 52 HG1 GLN 52 14.110 20.945 -2.794 413 HE21 GLN 52 HE21 GLN 52 16.494 21.716 -1.318 414 HE22 GLN 52 HE22 GLN 52 16.128 21.534 0.343 415 H GLN 53 H GLN 53 15.863 16.289 -4.190 416 HA GLN 53 HA GLN 53 13.750 14.325 -3.842 417 HB2 GLN 53 HB2 GLN 53 15.590 14.908 -6.154 418 HB3 GLN 53 HB1 GLN 53 14.558 13.486 -6.103 419 HG2 GLN 53 HG2 GLN 53 12.601 14.955 -5.884 420 HG3 GLN 53 HG1 GLN 53 13.661 16.355 -6.035 421 HE21 GLN 53 HE21 GLN 53 14.495 16.854 -8.015 422 HE22 GLN 53 HE22 GLN 53 13.962 16.135 -9.487 423 H GLN 54 H GLN 54 16.434 14.637 -2.402 424 HA GLN 54 HA GLN 54 18.116 12.456 -2.746 425 HB2 GLN 54 HB2 GLN 54 18.562 12.609 -0.305 426 HB3 GLN 54 HB1 GLN 54 18.626 14.170 -1.113 427 HG2 GLN 54 HG2 GLN 54 16.425 14.727 -0.300 428 HG3 GLN 54 HG1 GLN 54 16.234 13.140 0.394 429 HE21 GLN 54 HE21 GLN 54 18.986 13.023 1.432 430 HE22 GLN 54 HE22 GLN 54 19.030 14.076 2.779 431 H HIS 55 H HIS 55 15.052 12.677 -1.160 432 HA HIS 55 HA HIS 55 14.923 10.243 0.131 433 HB2 HIS 55 HB2 HIS 55 12.386 10.587 0.002 434 HB3 HIS 55 HB1 HIS 55 13.320 11.856 0.774 435 HD1 HIS 55 HD1 HIS 55 11.539 13.748 0.267 436 HD2 HIS 55 HD2 HIS 55 13.010 11.819 -3.077 437 HE1 HIS 55 HE1 HIS 55 10.766 15.085 -1.676 438 H LEU 56 H LEU 56 14.529 10.912 -3.240 439 HA LEU 56 HA LEU 56 13.171 8.388 -3.735 440 HB2 LEU 56 HB2 LEU 56 12.534 10.374 -5.072 441 HB3 LEU 56 HB1 LEU 56 14.170 10.509 -5.660 442 HG LEU 56 HG LEU 56 12.441 9.577 -7.275 443 HD11 LEU 56 HD11 LEU 56 13.899 7.887 -8.258 444 HD12 LEU 56 HD12 LEU 56 14.853 7.849 -6.776 445 HD13 LEU 56 HD13 LEU 56 14.802 9.316 -7.754 446 HD21 LEU 56 HD21 LEU 56 11.878 7.209 -7.100 447 HD22 LEU 56 HD22 LEU 56 11.246 8.130 -5.732 448 HD23 LEU 56 HD23 LEU 56 12.688 7.133 -5.537 449 H SER 57 H SER 57 16.314 9.858 -4.240 450 HA SER 57 HA SER 57 17.476 7.708 -5.561 451 HB2 SER 57 HB2 SER 57 18.764 9.687 -3.667 452 HB3 SER 57 HB1 SER 57 19.578 8.768 -4.941 453 HG SER 57 HG SER 57 18.062 9.797 -6.396 454 H LEU 58 H LEU 58 16.833 8.308 -2.204 455 HA LEU 58 HA LEU 58 18.308 6.023 -1.270 456 HB2 LEU 58 HB2 LEU 58 16.233 7.626 0.257 457 HB3 LEU 58 HB1 LEU 58 17.490 6.600 0.883 458 HG LEU 58 HG LEU 58 18.118 9.092 -0.682 459 HD11 LEU 58 HD11 LEU 58 17.013 9.688 1.392 460 HD12 LEU 58 HD12 LEU 58 18.720 10.118 1.422 461 HD13 LEU 58 HD13 LEU 58 18.156 8.689 2.290 462 HD21 LEU 58 HD21 LEU 58 19.870 7.432 -0.753 463 HD22 LEU 58 HD22 LEU 58 19.834 7.286 1.006 464 HD23 LEU 58 HD23 LEU 58 20.360 8.794 0.255 465 H CYS 59 H CYS 59 14.858 6.879 -1.511 466 HA CYS 59 HA CYS 59 13.787 4.475 -0.590 467 HB2 CYS 59 HB2 CYS 59 12.632 6.654 -0.847 468 HB3 CYS 59 HB1 CYS 59 12.574 6.387 -2.579 469 H CYS 60 H CYS 60 14.355 5.499 -4.023 470 HA CYS 60 HA CYS 60 13.390 3.167 -5.250 471 HB2 CYS 60 HB2 CYS 60 13.816 5.235 -6.500 472 HB3 CYS 60 HB1 CYS 60 15.531 5.114 -6.165 473 H ASN 61 H ASN 61 16.436 3.897 -3.793 474 HA ASN 61 HA ASN 61 17.771 1.558 -4.875 475 HB2 ASN 61 HB2 ASN 61 18.860 3.686 -4.450 476 HB3 ASN 61 HB1 ASN 61 18.689 3.453 -2.717 477 HD21 ASN 61 HD21 ASN 61 19.564 1.031 -5.176 478 HD22 ASN 61 HD22 ASN 61 21.123 0.716 -4.533 479 H GLN 62 H GLN 62 16.026 2.416 -2.072 480 HA GLN 62 HA GLN 62 16.935 0.128 -0.596 481 HB2 GLN 62 HB2 GLN 62 16.550 2.232 0.557 482 HB3 GLN 62 HB1 GLN 62 14.878 2.228 0.034 483 HG2 GLN 62 HG2 GLN 62 14.440 0.283 1.361 484 HG3 GLN 62 HG1 GLN 62 16.129 0.205 1.850 485 HE21 GLN 62 HE21 GLN 62 15.654 0.471 4.029 486 HE22 GLN 62 HE22 GLN 62 15.118 1.976 4.675 487 H LEU 63 H LEU 63 14.063 1.117 -2.311 488 HA LEU 63 HA LEU 63 12.502 -1.106 -1.540 489 HB2 LEU 63 HB2 LEU 63 10.937 -0.412 -3.248 490 HB3 LEU 63 HB1 LEU 63 11.544 1.016 -2.459 491 HG LEU 63 HG LEU 63 13.202 1.060 -4.480 492 HD11 LEU 63 HD11 LEU 63 12.206 0.328 -6.525 493 HD12 LEU 63 HD12 LEU 63 10.833 -0.342 -5.632 494 HD13 LEU 63 HD13 LEU 63 12.441 -1.037 -5.423 495 HD21 LEU 63 HD21 LEU 63 11.572 2.423 -5.680 496 HD22 LEU 63 HD22 LEU 63 11.792 2.815 -3.969 497 HD23 LEU 63 HD23 LEU 63 10.347 1.924 -4.489 498 H GLN 64 H GLN 64 14.781 -0.514 -4.069 499 HA GLN 64 HA GLN 64 14.198 -2.762 -5.649 500 HB2 GLN 64 HB2 GLN 64 16.189 -2.251 -6.865 501 HB3 GLN 64 HB1 GLN 64 15.487 -0.734 -6.283 502 HG2 GLN 64 HG2 GLN 64 17.013 -0.448 -4.664 503 HG3 GLN 64 HG1 GLN 64 17.621 -2.105 -4.741 504 HE21 GLN 64 HE21 GLN 64 18.959 -2.673 -6.480 505 HE22 GLN 64 HE22 GLN 64 19.808 -1.494 -7.392 506 H GLU 65 H GLU 65 15.608 -2.613 -2.575 507 HA GLU 65 HA GLU 65 17.306 -4.914 -2.836 508 HB2 GLU 65 HB2 GLU 65 16.177 -3.682 -0.314 509 HB3 GLU 65 HB1 GLU 65 17.508 -4.821 -0.410 510 HG2 GLU 65 HG2 GLU 65 18.759 -3.111 -1.737 511 HG3 GLU 65 HG1 GLU 65 17.460 -1.978 -1.372 512 H VAL 66 H VAL 66 14.053 -4.308 -2.508 513 HA VAL 66 HA VAL 66 13.289 -6.949 -1.486 514 HB VAL 66 HB VAL 66 11.467 -4.934 -2.834 515 HG11 VAL 66 HG11 VAL 66 9.725 -5.854 -1.421 516 HG12 VAL 66 HG12 VAL 66 10.900 -6.926 -0.660 517 HG13 VAL 66 HG13 VAL 66 10.509 -7.123 -2.368 518 HG21 VAL 66 HG21 VAL 66 10.994 -3.926 -0.660 519 HG22 VAL 66 HG22 VAL 66 12.651 -3.680 -1.180 520 HG23 VAL 66 HG23 VAL 66 12.289 -4.885 0.065 521 H GLU 67 H GLU 67 11.941 -8.358 -2.899 522 HA GLU 67 HA GLU 67 12.957 -9.114 -5.364 523 HB2 GLU 67 HB2 GLU 67 10.193 -9.261 -4.270 524 HB3 GLU 67 HB1 GLU 67 10.593 -9.976 -5.827 525 HG2 GLU 67 HG2 GLU 67 12.207 -11.359 -4.753 526 HG3 GLU 67 HG1 GLU 67 11.804 -10.669 -3.171 527 H LYS 68 H LYS 68 12.509 -8.611 -7.507 528 HA LYS 68 HA LYS 68 11.934 -5.906 -8.003 529 HB2 LYS 68 HB2 LYS 68 11.943 -6.436 -10.402 530 HB3 LYS 68 HB1 LYS 68 13.377 -7.011 -9.606 531 HG2 LYS 68 HG2 LYS 68 12.493 -9.264 -9.637 532 HG3 LYS 68 HG1 LYS 68 11.017 -8.679 -10.423 533 HD2 LYS 68 HD2 LYS 68 12.481 -9.534 -12.144 534 HD3 LYS 68 HD1 LYS 68 12.432 -7.759 -12.194 535 HE2 LYS 68 HE2 LYS 68 14.700 -8.636 -12.535 536 HE3 LYS 68 HE1 LYS 68 14.567 -7.598 -11.124 537 HZ1 LYS 68 HZ1 LYS 68 14.476 -9.589 -9.741 538 HZ2 LYS 68 HZ2 LYS 68 15.879 -9.561 -10.650 539 HZ3 LYS 68 HZ3 LYS 68 14.612 -10.567 -11.103 540 H GLN 69 H GLN 69 9.904 -8.653 -8.062 541 HA GLN 69 HA GLN 69 7.696 -7.394 -9.391 542 HB2 GLN 69 HB2 GLN 69 6.377 -9.326 -8.651 543 HB3 GLN 69 HB1 GLN 69 7.909 -9.850 -9.332 544 HG2 GLN 69 HG2 GLN 69 8.799 -10.273 -7.141 545 HG3 GLN 69 HG1 GLN 69 7.374 -9.575 -6.382 546 HE21 GLN 69 HE21 GLN 69 8.477 -12.235 -5.989 547 HE22 GLN 69 HE22 GLN 69 7.220 -13.310 -6.466 548 H CYS 70 H CYS 70 8.956 -7.363 -6.201 549 HA CYS 70 HA CYS 70 6.453 -6.489 -5.020 550 HB2 CYS 70 HB2 CYS 70 9.066 -7.288 -3.796 551 HB3 CYS 70 HB1 CYS 70 7.582 -6.945 -2.901 552 H GLN 71 H GLN 71 9.273 -5.274 -6.335 553 HA GLN 71 HA GLN 71 9.903 -3.109 -4.661 554 HB2 GLN 71 HB2 GLN 71 10.228 -3.508 -7.619 555 HB3 GLN 71 HB1 GLN 71 10.879 -2.112 -6.754 556 HG2 GLN 71 HG2 GLN 71 12.206 -3.610 -5.369 557 HG3 GLN 71 HG1 GLN 71 11.591 -5.004 -6.248 558 HE21 GLN 71 HE21 GLN 71 12.513 -1.910 -7.619 559 HE22 GLN 71 HE22 GLN 71 13.852 -2.496 -8.528 560 H CYS 72 H CYS 72 7.536 -3.390 -7.279 561 HA CYS 72 HA CYS 72 6.790 -0.649 -6.877 562 HB2 CYS 72 HB2 CYS 72 5.005 -1.119 -8.556 563 HB3 CYS 72 HB1 CYS 72 6.670 -1.355 -9.070 564 H GLU 73 H GLU 73 5.840 -3.709 -5.723 565 HA GLU 73 HA GLU 73 3.265 -3.083 -4.957 566 HB2 GLU 73 HB2 GLU 73 5.237 -4.982 -3.683 567 HB3 GLU 73 HB1 GLU 73 3.520 -4.986 -3.319 568 HG2 GLU 73 HG2 GLU 73 4.701 -5.503 -6.046 569 HG3 GLU 73 HG1 GLU 73 4.318 -6.780 -4.908 570 H ALA 74 H ALA 74 6.405 -2.622 -3.575 571 HA ALA 74 HA ALA 74 5.920 -1.920 -0.952 572 HB1 ALA 74 HB1 ALA 74 8.155 -0.988 -0.996 573 HB2 ALA 74 HB2 ALA 74 8.116 -0.906 -2.749 574 HB3 ALA 74 HB3 ALA 74 8.144 -2.469 -1.955 575 H ILE 75 H ILE 75 5.675 -0.165 -3.929 576 HA ILE 75 HA ILE 75 5.810 2.466 -2.875 577 HB ILE 75 HB ILE 75 4.451 1.602 -5.426 578 HG12 ILE 75 HG12 ILE 75 6.681 0.675 -5.439 579 HG13 ILE 75 HG11 ILE 75 6.620 2.038 -6.556 580 HG21 ILE 75 HG21 ILE 75 4.013 3.875 -4.723 581 HG22 ILE 75 HG22 ILE 75 5.015 3.857 -6.171 582 HG23 ILE 75 HG23 ILE 75 5.741 4.188 -4.598 583 HD11 ILE 75 HD11 ILE 75 7.846 1.912 -3.826 584 HD12 ILE 75 HD12 ILE 75 7.688 3.405 -4.767 585 HD13 ILE 75 HD13 ILE 75 8.662 2.059 -5.387 586 H LYS 76 H LYS 76 3.319 0.119 -3.430 587 HA LYS 76 HA LYS 76 1.106 1.870 -3.203 588 HB2 LYS 76 HB2 LYS 76 1.290 -1.090 -2.684 589 HB3 LYS 76 HB1 LYS 76 -0.193 -0.171 -2.883 590 HG2 LYS 76 HG2 LYS 76 1.929 -0.661 -4.935 591 HG3 LYS 76 HG1 LYS 76 0.306 -1.352 -4.902 592 HD2 LYS 76 HD2 LYS 76 -0.529 1.081 -4.915 593 HD3 LYS 76 HD1 LYS 76 1.109 1.484 -5.438 594 HE2 LYS 76 HE2 LYS 76 -0.364 1.233 -7.356 595 HE3 LYS 76 HE1 LYS 76 0.866 -0.029 -7.339 596 HZ1 LYS 76 HZ1 LYS 76 -0.731 -1.593 -6.495 597 HZ2 LYS 76 HZ2 LYS 76 -1.449 -0.853 -7.818 598 HZ3 LYS 76 HZ3 LYS 76 -1.874 -0.406 -6.255 599 H GLN 77 H GLN 77 2.935 -0.169 -1.089 600 HA GLN 77 HA GLN 77 1.378 0.109 1.230 601 HB2 GLN 77 HB2 GLN 77 4.360 -0.153 1.282 602 HB3 GLN 77 HB1 GLN 77 3.207 -0.738 2.467 603 HG2 GLN 77 HG2 GLN 77 2.369 -2.084 0.256 604 HG3 GLN 77 HG1 GLN 77 4.075 -1.938 -0.057 605 HE21 GLN 77 HE21 GLN 77 2.467 -4.241 0.559 606 HE22 GLN 77 HE22 GLN 77 3.181 -5.001 1.927 607 H VAL 78 H VAL 78 3.961 2.072 -0.124 608 HA VAL 78 HA VAL 78 4.408 3.811 1.997 609 HB VAL 78 HB VAL 78 4.282 4.785 -0.870 610 HG11 VAL 78 HG11 VAL 78 5.890 6.409 -0.202 611 HG12 VAL 78 HG12 VAL 78 5.952 5.696 1.414 612 HG13 VAL 78 HG13 VAL 78 4.472 6.483 0.860 613 HG21 VAL 78 HG21 VAL 78 5.680 2.773 -0.764 614 HG22 VAL 78 HG22 VAL 78 6.636 3.544 0.505 615 HG23 VAL 78 HG23 VAL 78 6.614 4.226 -1.120 616 H VAL 79 H VAL 79 2.053 3.879 -0.620 617 HA VAL 79 HA VAL 79 0.910 6.390 -0.042 618 HB VAL 79 HB VAL 79 -0.450 4.024 -1.346 619 HG11 VAL 79 HG11 VAL 79 -1.979 5.792 -0.703 620 HG12 VAL 79 HG12 VAL 79 -1.844 5.705 -2.462 621 HG13 VAL 79 HG13 VAL 79 -1.005 6.978 -1.568 622 HG21 VAL 79 HG21 VAL 79 1.240 6.181 -2.617 623 HG22 VAL 79 HG22 VAL 79 0.282 4.984 -3.497 624 HG23 VAL 79 HG23 VAL 79 1.632 4.463 -2.489 625 H GLU 80 H GLU 80 0.105 3.099 0.845 626 HA GLU 80 HA GLU 80 -2.303 3.550 2.159 627 HB2 GLU 80 HB2 GLU 80 -0.251 1.440 2.811 628 HB3 GLU 80 HB1 GLU 80 -1.952 1.401 3.244 629 HG2 GLU 80 HG2 GLU 80 -2.475 1.422 0.800 630 HG3 GLU 80 HG1 GLU 80 -0.756 1.246 0.503 631 H GLN 81 H GLN 81 0.958 3.334 3.486 632 HA GLN 81 HA GLN 81 0.022 3.870 6.125 633 HB2 GLN 81 HB2 GLN 81 2.394 3.798 6.765 634 HB3 GLN 81 HB1 GLN 81 1.925 2.418 5.786 635 HG2 GLN 81 HG2 GLN 81 2.933 3.568 3.809 636 HG3 GLN 81 HG1 GLN 81 3.511 4.819 4.901 637 HE21 GLN 81 HE21 GLN 81 3.407 1.388 5.614 638 HE22 GLN 81 HE22 GLN 81 5.117 1.187 5.702 639 H ALA 82 H ALA 82 1.344 5.858 3.558 640 HA ALA 82 HA ALA 82 1.906 8.058 5.283 641 HB1 ALA 82 HB1 ALA 82 1.637 8.035 2.281 642 HB2 ALA 82 HB2 ALA 82 3.124 7.733 3.178 643 HB3 ALA 82 HB3 ALA 82 2.355 9.320 3.251 644 H GLN 83 H GLN 83 -0.839 7.150 3.261 645 HA GLN 83 HA GLN 83 -2.068 9.716 3.539 646 HB2 GLN 83 HB2 GLN 83 -3.992 8.776 2.427 647 HB3 GLN 83 HB1 GLN 83 -2.556 8.163 1.623 648 HG2 GLN 83 HG2 GLN 83 -2.791 6.058 2.897 649 HG3 GLN 83 HG1 GLN 83 -4.277 6.682 3.600 650 HE21 GLN 83 HE21 GLN 83 -3.911 4.339 2.046 651 HE22 GLN 83 HE22 GLN 83 -4.910 4.485 0.655 652 H LYS 84 H LYS 84 -2.084 6.725 5.285 653 HA LYS 84 HA LYS 84 -4.421 7.362 6.770 654 HB2 LYS 84 HB2 LYS 84 -4.114 5.256 7.897 655 HB3 LYS 84 HB1 LYS 84 -3.731 5.031 6.212 656 HG2 LYS 84 HG2 LYS 84 -2.075 3.797 7.266 657 HG3 LYS 84 HG1 LYS 84 -1.282 5.337 6.925 658 HD2 LYS 84 HD2 LYS 84 -0.706 4.671 9.138 659 HD3 LYS 84 HD1 LYS 84 -1.789 6.068 9.189 660 HE2 LYS 84 HE2 LYS 84 -3.691 4.571 9.659 661 HE3 LYS 84 HE1 LYS 84 -2.583 3.198 9.613 662 HZ1 LYS 84 HZ1 LYS 84 -1.437 4.142 11.516 663 HZ2 LYS 84 HZ2 LYS 84 -3.061 3.867 11.843 664 HZ3 LYS 84 HZ3 LYS 84 -2.523 5.434 11.557 665 H GLN 85 H GLN 85 -0.985 7.820 7.197 666 HA GLN 85 HA GLN 85 -1.207 8.398 9.969 667 HB2 GLN 85 HB2 GLN 85 1.137 9.012 9.927 668 HB3 GLN 85 HB1 GLN 85 0.857 7.645 8.842 669 HG2 GLN 85 HG2 GLN 85 1.124 8.920 6.932 670 HG3 GLN 85 HG1 GLN 85 1.009 10.431 7.823 671 HE21 GLN 85 HE21 GLN 85 2.886 7.801 9.081 672 HE22 GLN 85 HE22 GLN 85 4.427 8.505 8.784 673 H LEU 86 H LEU 86 -1.513 10.239 7.089 674 HA LEU 86 HA LEU 86 -1.720 12.713 8.547 675 HB2 LEU 86 HB2 LEU 86 -1.784 11.928 5.695 676 HB3 LEU 86 HB1 LEU 86 -2.682 13.371 6.093 677 HG LEU 86 HG LEU 86 -0.385 13.774 5.294 678 HD11 LEU 86 HD11 LEU 86 -0.971 14.661 8.114 679 HD12 LEU 86 HD12 LEU 86 -1.616 15.392 6.650 680 HD13 LEU 86 HD13 LEU 86 0.119 15.466 6.980 681 HD21 LEU 86 HD21 LEU 86 0.824 11.969 6.308 682 HD22 LEU 86 HD22 LEU 86 0.338 12.503 7.916 683 HD23 LEU 86 HD23 LEU 86 1.444 13.491 6.971 684 H GLN 87 H GLN 87 -3.877 10.356 7.185 685 HA GLN 87 HA GLN 87 -6.309 11.683 7.449 686 HB2 GLN 87 HB2 GLN 87 -6.060 9.626 6.192 687 HB3 GLN 87 HB1 GLN 87 -5.637 8.760 7.657 688 HG2 GLN 87 HG2 GLN 87 -7.872 9.002 8.502 689 HG3 GLN 87 HG1 GLN 87 -8.316 10.007 7.121 690 HE21 GLN 87 HE21 GLN 87 -7.471 6.779 8.149 691 HE22 GLN 87 HE22 GLN 87 -8.072 5.985 6.755 692 H GLN 88 H GLN 88 -4.396 9.990 9.807 693 HA GLN 88 HA GLN 88 -6.451 10.104 11.856 694 HB2 GLN 88 HB2 GLN 88 -4.820 9.022 13.261 695 HB3 GLN 88 HB1 GLN 88 -4.950 8.218 11.685 696 HG2 GLN 88 HG2 GLN 88 -2.907 9.410 10.975 697 HG3 GLN 88 HG1 GLN 88 -2.768 10.066 12.602 698 HE21 GLN 88 HE21 GLN 88 -0.774 9.098 12.893 699 HE22 GLN 88 HE22 GLN 88 -0.599 7.401 13.132 700 H GLY 89 H GLY 89 -4.454 12.319 10.598 701 HA2 GLY 89 HA2 GLY 89 -3.665 13.528 13.112 702 HA3 GLY 89 HA1 GLY 89 -3.100 13.987 11.513 703 H GLN 90 H GLN 90 -3.540 15.985 11.579 704 HA GLN 90 HA GLN 90 -6.173 16.997 12.444 705 HB2 GLN 90 HB2 GLN 90 -3.540 18.397 12.037 706 HB3 GLN 90 HB1 GLN 90 -5.032 19.211 12.482 707 HG2 GLN 90 HG2 GLN 90 -3.768 17.024 14.105 708 HG3 GLN 90 HG1 GLN 90 -3.486 18.742 14.383 709 HE21 GLN 90 HE21 GLN 90 -5.770 16.115 14.632 710 HE22 GLN 90 HE22 GLN 90 -6.904 16.978 15.589 711 H GLY 91 H GLY 91 -3.860 17.170 9.813 712 HA2 GLY 91 HA2 GLY 91 -5.731 17.275 7.815 713 HA3 GLY 91 HA1 GLY 91 -5.235 18.933 8.133 714 H GLY 92 H GLY 92 -4.473 18.465 5.833 715 HA2 GLY 92 HA2 GLY 92 -2.240 18.727 5.036 716 HA3 GLY 92 HA1 GLY 92 -1.770 17.331 5.993 717 H GLN 93 H GLN 93 -4.427 16.118 5.278 718 HA GLN 93 HA GLN 93 -3.657 14.315 3.356 719 HB2 GLN 93 HB2 GLN 93 -6.456 15.317 3.863 720 HB3 GLN 93 HB1 GLN 93 -6.097 13.919 2.867 721 HG2 GLN 93 HG2 GLN 93 -6.710 12.936 4.856 722 HG3 GLN 93 HG1 GLN 93 -4.966 13.058 5.061 723 HE21 GLN 93 HE21 GLN 93 -7.289 12.997 6.958 724 HE22 GLN 93 HE22 GLN 93 -6.997 14.329 8.010 725 H GLN 94 H GLN 94 -5.189 17.400 2.829 726 HA GLN 94 HA GLN 94 -5.588 16.950 0.008 727 HB2 GLN 94 HB2 GLN 94 -6.358 19.252 -0.077 728 HB3 GLN 94 HB1 GLN 94 -7.112 18.391 1.264 729 HG2 GLN 94 HG2 GLN 94 -5.373 19.382 2.737 730 HG3 GLN 94 HG1 GLN 94 -4.841 20.309 1.369 731 HE21 GLN 94 HE21 GLN 94 -7.554 20.749 0.320 732 HE22 GLN 94 HE22 GLN 94 -8.271 21.914 1.366 733 H GLN 95 H GLN 95 -3.187 18.626 1.965 734 HA GLN 95 HA GLN 95 -1.961 19.758 -0.371 735 HB2 GLN 95 HB2 GLN 95 -0.219 20.599 1.162 736 HB3 GLN 95 HB1 GLN 95 -1.867 21.075 1.656 737 HG2 GLN 95 HG2 GLN 95 -1.833 19.420 3.318 738 HG3 GLN 95 HG1 GLN 95 -0.244 18.857 2.819 739 HE21 GLN 95 HE21 GLN 95 -1.073 22.274 2.951 740 HE22 GLN 95 HE22 GLN 95 -0.076 22.641 4.296 741 H VAL 96 H VAL 96 -1.269 17.284 1.931 742 HA VAL 96 HA VAL 96 1.182 16.346 0.933 743 HB VAL 96 HB VAL 96 -0.988 14.861 2.464 744 HG11 VAL 96 HG11 VAL 96 1.839 13.986 1.942 745 HG12 VAL 96 HG12 VAL 96 0.358 13.209 1.374 746 HG13 VAL 96 HG13 VAL 96 0.723 13.251 3.100 747 HG21 VAL 96 HG21 VAL 96 1.567 16.169 3.398 748 HG22 VAL 96 HG22 VAL 96 0.462 15.224 4.401 749 HG23 VAL 96 HG23 VAL 96 -0.088 16.725 3.683 750 H GLN 97 H GLN 97 -2.021 15.988 -0.228 751 HA GLN 97 HA GLN 97 -1.897 13.617 -1.664 752 HB2 GLN 97 HB2 GLN 97 -3.938 14.937 -1.360 753 HB3 GLN 97 HB1 GLN 97 -3.268 16.157 -2.439 754 HG2 GLN 97 HG2 GLN 97 -3.371 14.678 -4.300 755 HG3 GLN 97 HG1 GLN 97 -3.809 13.325 -3.270 756 HE21 GLN 97 HE21 GLN 97 -5.866 13.172 -2.486 757 HE22 GLN 97 HE22 GLN 97 -7.175 14.124 -3.064 758 H GLN 98 H GLN 98 -0.631 16.785 -2.550 759 HA GLN 98 HA GLN 98 -0.032 16.070 -5.257 760 HB2 GLN 98 HB2 GLN 98 1.183 18.160 -5.398 761 HB3 GLN 98 HB1 GLN 98 -0.343 18.425 -4.567 762 HG2 GLN 98 HG2 GLN 98 0.828 18.342 -2.428 763 HG3 GLN 98 HG1 GLN 98 2.354 18.139 -3.279 764 HE21 GLN 98 HE21 GLN 98 1.413 20.204 -1.487 765 HE22 GLN 98 HE22 GLN 98 1.607 21.698 -2.325 766 H MET 99 H MET 99 1.468 15.393 -2.301 767 HA MET 99 HA MET 99 4.098 15.045 -3.551 768 HB2 MET 99 HB2 MET 99 3.460 16.045 -1.113 769 HB3 MET 99 HB1 MET 99 3.567 14.348 -0.758 770 HG2 MET 99 HG2 MET 99 5.673 15.364 -0.272 771 HG3 MET 99 HG1 MET 99 5.802 14.186 -1.581 772 HE1 MET 99 HE1 MET 99 8.520 16.914 -2.429 773 HE2 MET 99 HE2 MET 99 8.238 15.209 -2.078 774 HE3 MET 99 HE3 MET 99 8.018 16.417 -0.813 775 H VAL 100 H VAL 100 1.711 13.312 -1.664 776 HA VAL 100 HA VAL 100 2.961 10.821 -1.978 777 HB VAL 100 HB VAL 100 1.273 11.080 -0.234 778 HG11 VAL 100 HG11 VAL 100 -1.113 11.177 -0.737 779 HG12 VAL 100 HG12 VAL 100 -0.724 11.325 -2.462 780 HG13 VAL 100 HG13 VAL 100 -0.211 12.578 -1.321 781 HG21 VAL 100 HG21 VAL 100 0.451 9.061 -2.284 782 HG22 VAL 100 HG22 VAL 100 -0.033 9.023 -0.580 783 HG23 VAL 100 HG23 VAL 100 1.673 8.830 -1.034 784 H LYS 101 H LYS 101 0.857 12.564 -4.169 785 HA LYS 101 HA LYS 101 0.320 10.411 -5.868 786 HB2 LYS 101 HB2 LYS 101 -0.418 11.995 -7.486 787 HB3 LYS 101 HB1 LYS 101 -0.783 12.634 -5.885 788 HG2 LYS 101 HG2 LYS 101 -0.092 14.507 -7.024 789 HG3 LYS 101 HG1 LYS 101 1.366 13.976 -6.180 790 HD2 LYS 101 HD2 LYS 101 2.266 13.008 -8.189 791 HD3 LYS 101 HD1 LYS 101 0.745 13.244 -9.046 792 HE2 LYS 101 HE2 LYS 101 2.359 14.895 -9.748 793 HE3 LYS 101 HE1 LYS 101 1.051 15.680 -8.868 794 HZ1 LYS 101 HZ1 LYS 101 3.082 16.599 -8.179 795 HZ2 LYS 101 HZ2 LYS 101 3.812 15.140 -7.951 796 HZ3 LYS 101 HZ3 LYS 101 2.592 15.646 -6.879 797 H LYS 102 H LYS 102 3.253 12.115 -5.347 798 HA LYS 102 HA LYS 102 4.567 11.571 -7.782 799 HB2 LYS 102 HB2 LYS 102 5.608 11.918 -4.985 800 HB3 LYS 102 HB1 LYS 102 6.626 11.812 -6.414 801 HG2 LYS 102 HG2 LYS 102 5.854 13.847 -7.253 802 HG3 LYS 102 HG1 LYS 102 4.470 13.875 -6.158 803 HD2 LYS 102 HD2 LYS 102 6.239 15.445 -5.470 804 HD3 LYS 102 HD1 LYS 102 5.931 14.200 -4.263 805 HE2 LYS 102 HE2 LYS 102 8.232 14.535 -4.426 806 HE3 LYS 102 HE1 LYS 102 7.888 12.958 -5.081 807 HZ1 LYS 102 HZ1 LYS 102 8.441 15.419 -6.680 808 HZ2 LYS 102 HZ2 LYS 102 8.029 13.930 -7.358 809 HZ3 LYS 102 HZ3 LYS 102 9.470 14.103 -6.529 810 H ALA 103 H ALA 103 3.862 9.677 -4.953 811 HA ALA 103 HA ALA 103 5.710 7.581 -5.310 812 HB1 ALA 103 HB1 ALA 103 4.387 7.841 -3.251 813 HB2 ALA 103 HB2 ALA 103 4.217 6.221 -3.930 814 HB3 ALA 103 HB3 ALA 103 2.929 7.407 -4.143 815 H GLN 104 H GLN 104 2.719 8.315 -6.871 816 HA GLN 104 HA GLN 104 2.248 5.763 -8.116 817 HB2 GLN 104 HB2 GLN 104 1.380 8.500 -9.048 818 HB3 GLN 104 HB1 GLN 104 0.634 6.963 -9.447 819 HG2 GLN 104 HG2 GLN 104 0.024 6.722 -7.011 820 HG3 GLN 104 HG1 GLN 104 0.664 8.336 -6.775 821 HE21 GLN 104 HE21 GLN 104 -1.889 6.481 -8.177 822 HE22 GLN 104 HE22 GLN 104 -2.953 7.795 -8.471 823 H MET 105 H MET 105 4.452 8.325 -8.691 824 HA MET 105 HA MET 105 4.882 7.620 -11.504 825 HB2 MET 105 HB2 MET 105 6.494 9.492 -9.852 826 HB3 MET 105 HB1 MET 105 6.352 9.464 -11.591 827 HG2 MET 105 HG2 MET 105 3.994 10.145 -11.428 828 HG3 MET 105 HG1 MET 105 4.156 10.249 -9.691 829 HE1 MET 105 HE1 MET 105 6.804 11.382 -12.436 830 HE2 MET 105 HE2 MET 105 6.365 13.079 -12.621 831 HE3 MET 105 HE3 MET 105 5.240 11.818 -13.125 832 H LEU 106 H LEU 106 6.036 6.936 -8.383 833 HA LEU 106 HA LEU 106 8.731 6.491 -8.815 834 HB2 LEU 106 HB2 LEU 106 6.844 5.685 -6.721 835 HB3 LEU 106 HB1 LEU 106 8.228 4.631 -6.893 836 HG LEU 106 HG LEU 106 9.746 6.468 -6.456 837 HD11 LEU 106 HD11 LEU 106 7.305 8.225 -6.249 838 HD12 LEU 106 HD12 LEU 106 8.568 8.309 -7.472 839 HD13 LEU 106 HD13 LEU 106 8.945 8.680 -5.793 840 HD21 LEU 106 HD21 LEU 106 9.128 6.949 -4.135 841 HD22 LEU 106 HD22 LEU 106 8.907 5.252 -4.553 842 HD23 LEU 106 HD23 LEU 106 7.508 6.322 -4.447 843 HA PRO 107 HA PRO 107 7.921 1.906 -10.004 844 HB2 PRO 107 HB2 PRO 107 5.589 1.528 -11.390 845 HB3 PRO 107 HB1 PRO 107 5.817 1.057 -9.696 846 HG2 PRO 107 HG2 PRO 107 4.504 3.474 -10.852 847 HG3 PRO 107 HG1 PRO 107 4.037 2.510 -9.440 848 HD2 PRO 107 HD2 PRO 107 5.269 4.878 -9.188 849 HD3 PRO 107 HD1 PRO 107 5.593 3.543 -8.069 850 H ASN 108 H ASN 108 6.903 4.779 -11.781 851 HA ASN 108 HA ASN 108 7.514 3.578 -14.286 852 HB2 ASN 108 HB2 ASN 108 6.904 6.392 -13.434 853 HB3 ASN 108 HB1 ASN 108 7.034 5.816 -15.082 854 HD21 ASN 108 HD21 ASN 108 4.841 7.115 -13.785 855 HD22 ASN 108 HD22 ASN 108 3.474 6.052 -13.879 856 H GLN 109 H GLN 109 8.730 6.024 -12.090 857 HA GLN 109 HA GLN 109 10.977 6.707 -13.729 858 HB2 GLN 109 HB2 GLN 109 10.379 7.453 -10.864 859 HB3 GLN 109 HB1 GLN 109 11.681 8.134 -11.826 860 HG2 GLN 109 HG2 GLN 109 8.729 8.387 -12.394 861 HG3 GLN 109 HG1 GLN 109 9.777 9.646 -11.748 862 HE21 GLN 109 HE21 GLN 109 8.164 9.607 -14.188 863 HE22 GLN 109 HE22 GLN 109 9.257 9.883 -15.491 864 H CYS 110 H CYS 110 10.553 4.709 -10.853 865 HA CYS 110 HA CYS 110 13.385 4.182 -10.690 866 HB2 CYS 110 HB2 CYS 110 11.879 4.354 -8.665 867 HB3 CYS 110 HB1 CYS 110 11.092 2.885 -9.167 868 H ASN 111 H ASN 111 10.986 3.229 -12.706 869 HA ASN 111 HA ASN 111 10.808 1.734 -14.396 870 HB2 ASN 111 HB2 ASN 111 13.266 2.335 -14.629 871 HB3 ASN 111 HB1 ASN 111 13.639 0.894 -13.703 872 HD21 ASN 111 HD21 ASN 111 11.143 1.231 -16.249 873 HD22 ASN 111 HD22 ASN 111 11.883 0.108 -17.300 874 H LEU 112 H LEU 112 9.765 1.028 -12.067 875 HA LEU 112 HA LEU 112 10.498 -1.647 -11.255 876 HB2 LEU 112 HB2 LEU 112 8.118 -0.014 -10.386 877 HB3 LEU 112 HB1 LEU 112 8.798 -1.412 -9.580 878 HG LEU 112 HG LEU 112 10.127 1.266 -9.870 879 HD11 LEU 112 HD11 LEU 112 10.007 1.329 -7.399 880 HD12 LEU 112 HD12 LEU 112 9.011 -0.111 -7.425 881 HD13 LEU 112 HD13 LEU 112 8.429 1.386 -8.166 882 HD21 LEU 112 HD21 LEU 112 11.906 0.330 -8.481 883 HD22 LEU 112 HD22 LEU 112 11.758 -0.485 -10.030 884 HD23 LEU 112 HD23 LEU 112 11.128 -1.251 -8.572 885 H GLN 113 H GLN 113 8.882 -3.356 -11.175 886 HA GLN 113 HA GLN 113 7.850 -3.979 -13.764 887 HB2 GLN 113 HB2 GLN 113 7.303 -5.396 -11.161 888 HB3 GLN 113 HB1 GLN 113 7.240 -6.080 -12.778 889 HG2 GLN 113 HG2 GLN 113 9.664 -5.021 -11.411 890 HG3 GLN 113 HG1 GLN 113 9.251 -6.731 -11.535 891 HE21 GLN 113 HE21 GLN 113 8.311 -6.490 -14.289 892 HE22 GLN 113 HE22 GLN 113 9.712 -6.301 -15.264 893 H CYS 114 H CYS 114 6.523 -1.717 -12.958 894 HA CYS 114 HA CYS 114 3.760 -2.452 -13.009 895 HB2 CYS 114 HB2 CYS 114 5.170 -1.250 -10.752 896 HB3 CYS 114 HB1 CYS 114 3.449 -0.827 -10.959 897 H SER 115 H SER 115 2.601 -0.686 -13.792 898 HA SER 115 HA SER 115 4.106 1.761 -14.304 899 HB2 SER 115 HB2 SER 115 2.466 0.258 -16.356 900 HB3 SER 115 HB1 SER 115 3.279 1.801 -16.615 901 HG SER 115 HG SER 115 5.129 0.290 -15.688 902 H ILE 116 H ILE 116 3.008 3.422 -13.547 903 HA ILE 116 HA ILE 116 0.093 3.205 -13.342 904 HB ILE 116 HB ILE 116 1.955 4.889 -11.613 905 HG12 ILE 116 HG12 ILE 116 0.319 2.474 -10.830 906 HG13 ILE 116 HG11 ILE 116 2.067 2.428 -11.092 907 HG21 ILE 116 HG21 ILE 116 -0.102 5.309 -10.279 908 HG22 ILE 116 HG22 ILE 116 -1.023 4.465 -11.525 909 HG23 ILE 116 HG23 ILE 116 -0.186 5.964 -11.918 910 HD11 ILE 116 HD11 ILE 116 2.312 3.965 -9.193 911 HD12 ILE 116 HD12 ILE 116 1.482 2.476 -8.736 912 HD13 ILE 116 HD13 ILE 116 0.562 3.962 -8.977 Start of MODEL 17 1 H1 GLY 1 H GLY 1 3.321 -23.900 0.311 2 H2 GLY 1 HT1 GLY 1 3.103 -23.968 0.231 3 H3 GLY 1 HT2 GLY 1 3.989 -22.546 0.454 4 HA2 GLY 1 HA1 GLY 1 2.092 -21.226 0.223 5 HA3 GLY 1 HA2 GLY 1 1.098 -22.646 -0.115 6 H ARG 2 H ARG 2 2.652 -20.728 2.265 7 HA ARG 2 HA ARG 2 1.882 -22.595 4.368 8 HB2 ARG 2 HB2 ARG 2 3.604 -20.155 4.477 9 HB3 ARG 2 HB1 ARG 2 3.096 -21.069 5.886 10 HG2 ARG 2 HG2 ARG 2 4.214 -23.062 4.895 11 HG3 ARG 2 HG1 ARG 2 4.853 -21.985 3.642 12 HD2 ARG 2 HD2 ARG 2 6.449 -22.277 5.448 13 HD3 ARG 2 HD1 ARG 2 5.869 -20.607 5.318 14 HE ARG 2 HE ARG 2 4.797 -22.510 7.300 15 HH11 ARG 2 HH11 ARG 2 6.106 -19.294 6.549 16 HH12 ARG 2 HH12 ARG 2 5.823 -18.679 8.110 17 HH21 ARG 2 HH21 ARG 2 4.373 -21.606 9.439 18 HH22 ARG 2 HH22 ARG 2 4.816 -19.995 9.755 19 H CYS 3 H CYS 3 0.327 -22.344 5.643 20 HA CYS 3 HA CYS 3 -0.839 -19.692 5.979 21 HB2 CYS 3 HB2 CYS 3 -2.455 -22.225 5.654 22 HB3 CYS 3 HB1 CYS 3 -3.060 -20.626 5.992 23 H THR 4 H THR 4 -1.641 -19.330 8.004 24 HA THR 4 HA THR 4 -0.439 -20.871 10.065 25 HB THR 4 HB THR 4 -1.481 -19.237 11.592 26 HG1 THR 4 HG1 THR 4 -2.900 -17.805 10.923 27 HG21 THR 4 HG21 THR 4 -0.272 -17.967 9.130 28 HG22 THR 4 HG22 THR 4 0.625 -18.643 10.487 29 HG23 THR 4 HG23 THR 4 -0.386 -17.214 10.720 30 H LYS 5 H LYS 5 -1.654 -21.691 11.896 31 HA LYS 5 HA LYS 5 -4.018 -23.130 11.012 32 HB2 LYS 5 HB2 LYS 5 -2.244 -23.468 13.442 33 HB3 LYS 5 HB1 LYS 5 -3.750 -24.337 13.238 34 HG2 LYS 5 HG2 LYS 5 -1.891 -25.754 12.653 35 HG3 LYS 5 HG1 LYS 5 -2.838 -25.409 11.213 36 HD2 LYS 5 HD2 LYS 5 -1.164 -23.692 10.582 37 HD3 LYS 5 HD1 LYS 5 -0.225 -24.122 12.011 38 HE2 LYS 5 HE2 LYS 5 0.640 -25.207 9.987 39 HE3 LYS 5 HE1 LYS 5 0.071 -26.378 11.169 40 HZ1 LYS 5 HZ1 LYS 5 -1.963 -26.631 9.910 41 HZ2 LYS 5 HZ2 LYS 5 -0.642 -26.936 8.924 42 HZ3 LYS 5 HZ3 LYS 5 -1.469 -25.476 8.787 43 H SER 6 H SER 6 -5.048 -20.964 11.002 44 HA SER 6 HA SER 6 -6.520 -20.634 13.454 45 HB2 SER 6 HB2 SER 6 -4.521 -19.183 13.715 46 HB3 SER 6 HB1 SER 6 -4.911 -18.408 12.184 47 HG SER 6 HG SER 6 -6.077 -18.176 14.681 48 H ILE 7 H ILE 7 -8.213 -18.864 12.970 49 HA ILE 7 HA ILE 7 -8.979 -18.817 10.143 50 HB ILE 7 HB ILE 7 -10.812 -19.285 12.529 51 HG12 ILE 7 HG12 ILE 7 -9.571 -21.295 11.792 52 HG13 ILE 7 HG11 ILE 7 -11.311 -21.475 11.554 53 HG21 ILE 7 HG21 ILE 7 -12.660 -19.423 10.912 54 HG22 ILE 7 HG22 ILE 7 -11.549 -18.968 9.621 55 HG23 ILE 7 HG23 ILE 7 -11.899 -17.830 10.921 56 HD11 ILE 7 HD11 ILE 7 -10.090 -22.408 9.692 57 HD12 ILE 7 HD12 ILE 7 -9.211 -20.901 9.466 58 HD13 ILE 7 HD13 ILE 7 -10.946 -20.963 9.146 59 HA PRO 8 HA PRO 8 -9.548 -17.529 8.667 60 HB2 PRO 8 HB2 PRO 8 -8.103 -15.132 7.851 61 HB3 PRO 8 HB1 PRO 8 -9.680 -15.726 7.323 62 HG2 PRO 8 HG2 PRO 8 -9.378 -13.492 8.842 63 HG3 PRO 8 HG1 PRO 8 -10.814 -14.526 8.913 64 HD2 PRO 8 HD2 PRO 8 -8.466 -14.412 10.765 65 HD3 PRO 8 HD1 PRO 8 -10.193 -14.589 11.144 66 HA PRO 9 HA PRO 9 -5.369 -18.961 8.924 67 HB2 PRO 9 HB2 PRO 9 -5.069 -19.894 6.379 68 HB3 PRO 9 HB1 PRO 9 -5.900 -20.798 7.653 69 HG2 PRO 9 HG2 PRO 9 -7.014 -19.152 5.435 70 HG3 PRO 9 HG1 PRO 9 -7.629 -20.677 6.126 71 HD2 PRO 9 HD2 PRO 9 -8.698 -18.239 6.695 72 HD3 PRO 9 HD1 PRO 9 -8.706 -19.589 7.845 73 H ILE 10 H ILE 10 -3.578 -17.770 8.735 74 HA ILE 10 HA ILE 10 -3.592 -15.599 6.836 75 HB ILE 10 HB ILE 10 -1.603 -16.254 9.030 76 HG12 ILE 10 HG12 ILE 10 -3.798 -15.780 9.972 77 HG13 ILE 10 HG11 ILE 10 -2.688 -14.468 10.342 78 HG21 ILE 10 HG21 ILE 10 -0.818 -13.945 8.756 79 HG22 ILE 10 HG22 ILE 10 -1.950 -13.739 7.415 80 HG23 ILE 10 HG23 ILE 10 -0.627 -14.898 7.278 81 HD11 ILE 10 HD11 ILE 10 -3.710 -13.142 8.522 82 HD12 ILE 10 HD12 ILE 10 -4.870 -13.596 9.770 83 HD13 ILE 10 HD13 ILE 10 -4.849 -14.461 8.234 84 H CYS 11 H CYS 11 -2.758 -16.009 4.933 85 HA CYS 11 HA CYS 11 -0.803 -18.157 4.754 86 HB2 CYS 11 HB2 CYS 11 -2.562 -17.035 2.587 87 HB3 CYS 11 HB1 CYS 11 -1.442 -18.385 2.434 88 H PHE 12 H PHE 12 1.022 -17.905 3.890 89 HA PHE 12 HA PHE 12 1.998 -15.192 3.562 90 HB2 PHE 12 HB2 PHE 12 3.318 -17.858 4.012 91 HB3 PHE 12 HB1 PHE 12 4.246 -16.408 3.653 92 HD1 PHE 12 HD1 PHE 12 3.875 -14.405 5.124 93 HD2 PHE 12 HD2 PHE 12 2.672 -18.332 6.203 94 HE1 PHE 12 HE1 PHE 12 3.794 -13.710 7.425 95 HE2 PHE 12 HE2 PHE 12 2.584 -17.655 8.570 96 HZ PHE 12 HZ PHE 12 3.142 -15.335 9.198 97 HA PRO 13 HA PRO 13 2.526 -15.571 -0.851 98 HB2 PRO 13 HB2 PRO 13 4.806 -14.160 -1.246 99 HB3 PRO 13 HB1 PRO 13 3.278 -13.382 -0.824 100 HG2 PRO 13 HG2 PRO 13 5.623 -14.038 0.901 101 HG3 PRO 13 HG1 PRO 13 4.604 -12.589 0.899 102 HD2 PRO 13 HD2 PRO 13 4.359 -14.619 2.688 103 HD3 PRO 13 HD1 PRO 13 3.005 -13.586 2.253 104 H ASP 14 H ASP 14 3.515 -17.733 0.645 105 HA ASP 14 HA ASP 14 6.146 -18.467 -0.304 106 HB2 ASP 14 HB2 ASP 14 5.740 -18.872 2.023 107 HB3 ASP 14 HB1 ASP 14 4.221 -19.685 1.673 108 H GLY 15 H GLY 15 6.396 -19.746 -1.886 109 HA2 GLY 15 HA2 GLY 15 5.099 -22.076 -2.574 110 HA3 GLY 15 HA1 GLY 15 4.264 -20.808 -3.484 111 H LEU 16 H LEU 16 6.120 -19.150 -4.159 112 HA LEU 16 HA LEU 16 8.518 -20.208 -5.129 113 HB2 LEU 16 HB2 LEU 16 6.509 -21.181 -6.628 114 HB3 LEU 16 HB1 LEU 16 6.647 -19.610 -7.388 115 HG LEU 16 HG LEU 16 7.875 -21.287 -8.648 116 HD11 LEU 16 HD11 LEU 16 10.083 -20.261 -8.744 117 HD12 LEU 16 HD12 LEU 16 9.755 -19.424 -7.224 118 HD13 LEU 16 HD13 LEU 16 8.804 -19.049 -8.660 119 HD21 LEU 16 HD21 LEU 16 9.472 -21.726 -6.134 120 HD22 LEU 16 HD22 LEU 16 9.726 -22.533 -7.690 121 HD23 LEU 16 HD23 LEU 16 8.240 -22.801 -6.765 122 H ASP 17 H ASP 17 5.926 -18.167 -6.190 123 HA ASP 17 HA ASP 17 7.174 -15.803 -5.215 124 HB2 ASP 17 HB2 ASP 17 7.341 -14.619 -7.294 125 HB3 ASP 17 HB1 ASP 17 8.222 -16.120 -7.513 126 H ASN 18 H ASN 18 5.592 -13.987 -5.418 127 HA ASN 18 HA ASN 18 2.884 -14.675 -6.036 128 HB2 ASN 18 HB2 ASN 18 3.346 -15.932 -3.890 129 HB3 ASN 18 HB1 ASN 18 3.664 -14.392 -3.117 130 HD21 ASN 18 HD21 ASN 18 1.964 -13.103 -2.597 131 HD22 ASN 18 HD22 ASN 18 0.318 -13.654 -2.629 132 HA PRO 19 HA PRO 19 4.255 -10.285 -6.314 133 HB2 PRO 19 HB2 PRO 19 2.569 -9.605 -8.353 134 HB3 PRO 19 HB1 PRO 19 4.159 -10.334 -8.570 135 HG2 PRO 19 HG2 PRO 19 1.469 -11.596 -8.691 136 HG3 PRO 19 HG1 PRO 19 2.919 -11.936 -9.641 137 HD2 PRO 19 HD2 PRO 19 2.067 -13.487 -7.577 138 HD3 PRO 19 HD1 PRO 19 3.770 -13.363 -8.063 139 H ARG 20 H ARG 20 0.901 -11.274 -5.970 140 HA ARG 20 HA ARG 20 0.172 -8.496 -5.476 141 HB2 ARG 20 HB2 ARG 20 -1.616 -10.932 -5.254 142 HB3 ARG 20 HB1 ARG 20 -2.149 -9.276 -5.029 143 HG2 ARG 20 HG2 ARG 20 -2.782 -9.779 -7.201 144 HG3 ARG 20 HG1 ARG 20 -1.244 -8.887 -7.339 145 HD2 ARG 20 HD2 ARG 20 -0.064 -10.955 -7.451 146 HD3 ARG 20 HD1 ARG 20 -1.574 -11.851 -7.438 147 HE ARG 20 HE ARG 20 -1.237 -9.865 -9.545 148 HH11 ARG 20 HH11 ARG 20 -1.343 -13.314 -8.717 149 HH12 ARG 20 HH12 ARG 20 -1.248 -13.824 -10.336 150 HH21 ARG 20 HH21 ARG 20 -1.109 -10.615 -11.748 151 HH22 ARG 20 HH22 ARG 20 -1.090 -12.281 -12.079 152 H GLY 21 H GLY 21 0.689 -11.346 -3.853 153 HA2 GLY 21 HA2 GLY 21 -0.024 -10.063 -1.383 154 HA3 GLY 21 HA1 GLY 21 0.291 -11.810 -1.509 155 H CYS 22 H CYS 22 2.375 -9.465 -2.890 156 HA CYS 22 HA CYS 22 4.639 -10.195 -1.449 157 HB2 CYS 22 HB2 CYS 22 3.914 -7.781 -3.032 158 HB3 CYS 22 HB1 CYS 22 5.429 -7.886 -2.157 159 H GLN 23 H GLN 23 5.248 -9.780 0.577 160 HA GLN 23 HA GLN 23 3.969 -7.517 1.883 161 HB2 GLN 23 HB2 GLN 23 4.453 -8.584 4.036 162 HB3 GLN 23 HB1 GLN 23 3.444 -9.603 3.024 163 HG2 GLN 23 HG2 GLN 23 5.435 -10.909 2.442 164 HG3 GLN 23 HG1 GLN 23 6.386 -9.917 3.539 165 HE21 GLN 23 HE21 GLN 23 5.994 -10.052 5.743 166 HE22 GLN 23 HE22 GLN 23 5.202 -11.407 6.463 167 H ILE 24 H ILE 24 5.101 -5.857 2.171 168 HA ILE 24 HA ILE 24 8.036 -6.054 2.261 169 HB ILE 24 HB ILE 24 6.498 -3.676 1.141 170 HG12 ILE 24 HG12 ILE 24 7.504 -4.525 -1.129 171 HG13 ILE 24 HG11 ILE 24 7.526 -6.086 -0.325 172 HG21 ILE 24 HG21 ILE 24 9.384 -4.484 0.914 173 HG22 ILE 24 HG22 ILE 24 8.734 -3.146 1.884 174 HG23 ILE 24 HG23 ILE 24 8.618 -3.119 0.113 175 HD11 ILE 24 HD11 ILE 24 5.094 -4.377 -0.790 176 HD12 ILE 24 HD12 ILE 24 5.119 -5.954 0.003 177 HD13 ILE 24 HD13 ILE 24 5.552 -5.816 -1.700 178 H ARG 25 H ARG 25 8.930 -5.034 3.984 179 HA ARG 25 HA ARG 25 7.191 -4.276 6.067 180 HB2 ARG 25 HB2 ARG 25 9.226 -3.752 7.345 181 HB3 ARG 25 HB1 ARG 25 9.269 -5.362 6.640 182 HG2 ARG 25 HG2 ARG 25 10.763 -4.362 4.836 183 HG3 ARG 25 HG1 ARG 25 10.759 -2.898 5.802 184 HD2 ARG 25 HD2 ARG 25 11.703 -4.076 7.700 185 HD3 ARG 25 HD1 ARG 25 11.665 -5.590 6.791 186 HE ARG 25 HE ARG 25 13.152 -4.197 5.186 187 HH11 ARG 25 HH11 ARG 25 13.407 -4.467 8.731 188 HH12 ARG 25 HH12 ARG 25 15.016 -3.939 8.780 189 HH21 ARG 25 HH21 ARG 25 15.449 -3.588 5.278 190 HH22 ARG 25 HH22 ARG 25 16.194 -3.471 6.798 191 H ILE 26 H ILE 26 6.205 -2.497 6.376 192 HA ILE 26 HA ILE 26 6.557 -0.271 4.721 193 HB ILE 26 HB ILE 26 5.000 0.930 6.250 194 HG12 ILE 26 HG12 ILE 26 3.644 -0.625 7.821 195 HG13 ILE 26 HG11 ILE 26 5.030 -1.697 7.761 196 HG21 ILE 26 HG21 ILE 26 3.059 -0.478 5.630 197 HG22 ILE 26 HG22 ILE 26 4.227 -1.713 5.114 198 HG23 ILE 26 HG23 ILE 26 4.204 -0.126 4.332 199 HD11 ILE 26 HD11 ILE 26 5.044 -0.345 9.773 200 HD12 ILE 26 HD12 ILE 26 5.006 1.129 8.806 201 HD13 ILE 26 HD13 ILE 26 6.417 0.073 8.746 202 H GLN 27 H GLN 27 8.313 -1.121 7.377 203 HA GLN 27 HA GLN 27 8.826 1.574 8.216 204 HB2 GLN 27 HB2 GLN 27 10.373 0.680 9.807 205 HB3 GLN 27 HB1 GLN 27 8.914 -0.307 9.786 206 HG2 GLN 27 HG2 GLN 27 10.025 -2.016 8.523 207 HG3 GLN 27 HG1 GLN 27 11.466 -1.016 8.378 208 HE21 GLN 27 HE21 GLN 27 12.783 -2.420 9.396 209 HE22 GLN 27 HE22 GLN 27 12.693 -2.783 11.075 210 H GLN 28 H GLN 28 9.981 -0.475 5.739 211 HA GLN 28 HA GLN 28 12.559 0.808 5.619 212 HB2 GLN 28 HB2 GLN 28 13.049 -0.566 3.716 213 HB3 GLN 28 HB1 GLN 28 12.030 -1.547 4.774 214 HG2 GLN 28 HG2 GLN 28 10.199 -1.402 3.407 215 HG3 GLN 28 HG1 GLN 28 10.798 0.037 2.592 216 HE21 GLN 28 HE21 GLN 28 12.776 -2.825 3.092 217 HE22 GLN 28 HE22 GLN 28 12.781 -3.258 1.424 218 H LEU 29 H LEU 29 9.354 1.305 4.513 219 HA LEU 29 HA LEU 29 10.149 3.235 2.485 220 HB2 LEU 29 HB2 LEU 29 7.408 2.325 3.304 221 HB3 LEU 29 HB1 LEU 29 7.742 3.524 2.083 222 HG LEU 29 HG LEU 29 7.260 1.687 0.867 223 HD11 LEU 29 HD11 LEU 29 9.343 0.844 -0.146 224 HD12 LEU 29 HD12 LEU 29 10.227 1.599 1.199 225 HD13 LEU 29 HD13 LEU 29 9.299 2.598 0.099 226 HD21 LEU 29 HD21 LEU 29 8.067 -0.620 1.379 227 HD22 LEU 29 HD22 LEU 29 7.002 0.104 2.590 228 HD23 LEU 29 HD23 LEU 29 8.736 0.036 2.887 229 H ASN 30 H ASN 30 9.965 3.300 5.637 230 HA ASN 30 HA ASN 30 8.245 5.353 6.358 231 HB2 ASN 30 HB2 ASN 30 9.459 3.972 8.014 232 HB3 ASN 30 HB1 ASN 30 10.950 4.803 7.604 233 HD21 ASN 30 HD21 ASN 30 11.276 6.894 8.361 234 HD22 ASN 30 HD22 ASN 30 10.241 7.643 9.528 235 H HIS 31 H HIS 31 11.351 5.567 4.768 236 HA HIS 31 HA HIS 31 11.685 8.376 5.292 237 HB2 HIS 31 HB2 HIS 31 13.607 6.783 4.523 238 HB3 HIS 31 HB1 HIS 31 12.851 6.929 2.937 239 HD1 HIS 31 HD1 HIS 31 15.579 8.378 4.661 240 HD2 HIS 31 HD2 HIS 31 12.548 9.869 2.234 241 HE1 HIS 31 HE1 HIS 31 16.383 10.570 3.812 242 H CYS 32 H CYS 32 10.733 6.429 2.534 243 HA CYS 32 HA CYS 32 10.113 8.421 0.718 244 HB2 CYS 32 HB2 CYS 32 10.172 5.726 0.683 245 HB3 CYS 32 HB1 CYS 32 8.441 5.967 0.798 246 H GLN 33 H GLN 33 7.960 6.647 2.943 247 HA GLN 33 HA GLN 33 5.588 7.866 2.695 248 HB2 GLN 33 HB2 GLN 33 5.849 5.993 4.035 249 HB3 GLN 33 HB1 GLN 33 7.106 6.736 5.007 250 HG2 GLN 33 HG2 GLN 33 5.424 8.335 5.785 251 HG3 GLN 33 HG1 GLN 33 4.165 7.354 5.034 252 HE21 GLN 33 HE21 GLN 33 3.181 6.770 7.001 253 HE22 GLN 33 HE22 GLN 33 3.960 5.760 8.166 254 H MET 34 H MET 34 8.145 8.833 5.050 255 HA MET 34 HA MET 34 6.679 11.097 5.901 256 HB2 MET 34 HB2 MET 34 8.611 11.802 7.169 257 HB3 MET 34 HB1 MET 34 8.363 10.069 7.380 258 HG2 MET 34 HG2 MET 34 10.195 9.643 5.828 259 HG3 MET 34 HG1 MET 34 10.425 11.373 5.608 260 HE1 MET 34 HE1 MET 34 11.313 13.002 7.535 261 HE2 MET 34 HE2 MET 34 11.673 12.477 9.179 262 HE3 MET 34 HE3 MET 34 10.012 12.468 8.591 263 H HIS 35 H HIS 35 9.180 10.660 3.590 264 HA HIS 35 HA HIS 35 9.751 13.338 3.020 265 HB2 HIS 35 HB2 HIS 35 11.363 12.169 1.925 266 HB3 HIS 35 HB1 HIS 35 10.361 10.738 1.841 267 HD1 HIS 35 HD1 HIS 35 10.581 14.054 -0.089 268 HD2 HIS 35 HD2 HIS 35 9.965 9.995 -0.669 269 HE1 HIS 35 HE1 HIS 35 10.257 13.744 -2.571 270 H LEU 36 H LEU 36 7.200 11.315 1.902 271 HA LEU 36 HA LEU 36 6.266 13.273 0.031 272 HB2 LEU 36 HB2 LEU 36 4.884 10.831 1.091 273 HB3 LEU 36 HB1 LEU 36 4.337 11.865 -0.234 274 HG LEU 36 HG LEU 36 6.875 10.229 -0.214 275 HD11 LEU 36 HD11 LEU 36 4.280 9.747 -1.644 276 HD12 LEU 36 HD12 LEU 36 4.919 8.822 -0.285 277 HD13 LEU 36 HD13 LEU 36 5.764 8.812 -1.834 278 HD21 LEU 36 HD21 LEU 36 7.092 12.211 -1.591 279 HD22 LEU 36 HD22 LEU 36 5.575 11.840 -2.408 280 HD23 LEU 36 HD23 LEU 36 6.970 10.778 -2.612 281 H THR 37 H THR 37 5.297 12.278 3.323 282 HA THR 37 HA THR 37 3.034 14.055 3.175 283 HB THR 37 HB THR 37 2.633 13.297 5.482 284 HG1 THR 37 HG1 THR 37 4.669 12.793 6.257 285 HG21 THR 37 HG21 THR 37 3.222 11.163 3.453 286 HG22 THR 37 HG22 THR 37 1.690 12.033 3.621 287 HG23 THR 37 HG23 THR 37 2.228 10.925 4.883 288 H SER 38 H SER 38 6.236 14.300 4.165 289 HA SER 38 HA SER 38 5.719 16.496 6.007 290 HB2 SER 38 HB2 SER 38 7.347 14.863 6.769 291 HB3 SER 38 HB1 SER 38 8.307 15.096 5.311 292 HG SER 38 HG SER 38 9.284 16.566 6.363 293 H PHE 39 H PHE 39 5.623 18.444 5.280 294 HA PHE 39 HA PHE 39 7.219 19.098 2.944 295 HB2 PHE 39 HB2 PHE 39 5.005 20.658 4.304 296 HB3 PHE 39 HB1 PHE 39 5.998 21.316 3.007 297 HD1 PHE 39 HD1 PHE 39 2.991 19.705 3.721 298 HD2 PHE 39 HD2 PHE 39 6.158 19.753 0.883 299 HE1 PHE 39 HE1 PHE 39 1.519 18.672 2.055 300 HE2 PHE 39 HE2 PHE 39 4.690 18.727 -0.788 301 HZ PHE 39 HZ PHE 39 2.372 18.185 -0.210 302 H ASP 40 H ASP 40 9.162 19.313 3.566 303 HA ASP 40 HA ASP 40 9.904 20.315 6.125 304 HB2 ASP 40 HB2 ASP 40 11.148 18.593 4.633 305 HB3 ASP 40 HB1 ASP 40 11.795 19.990 3.799 306 H TYR 41 H TYR 41 11.861 22.017 5.915 307 HA TYR 41 HA TYR 41 10.278 24.340 5.177 308 HB2 TYR 41 HB2 TYR 41 11.616 25.514 6.914 309 HB3 TYR 41 HB1 TYR 41 10.692 24.072 7.360 310 HD1 TYR 41 HD1 TYR 41 14.201 25.034 6.540 311 HD2 TYR 41 HD2 TYR 41 11.596 22.416 8.641 312 HE1 TYR 41 HE1 TYR 41 16.127 24.008 7.633 313 HE2 TYR 41 HE2 TYR 41 13.522 21.375 9.751 314 HH TYR 41 HH TYR 41 15.885 21.105 9.470 315 H LYS 42 H LYS 42 13.474 23.009 4.714 316 HA LYS 42 HA LYS 42 14.347 25.442 3.499 317 HB2 LYS 42 HB2 LYS 42 16.507 24.524 3.425 318 HB3 LYS 42 HB1 LYS 42 15.689 23.786 4.805 319 HG2 LYS 42 HG2 LYS 42 15.943 22.398 2.149 320 HG3 LYS 42 HG1 LYS 42 17.169 22.264 3.407 321 HD2 LYS 42 HD2 LYS 42 15.372 21.397 4.909 322 HD3 LYS 42 HD1 LYS 42 14.292 21.393 3.514 323 HE2 LYS 42 HE2 LYS 42 15.795 19.887 2.330 324 HE3 LYS 42 HE1 LYS 42 16.905 19.907 3.697 325 HZ1 LYS 42 HZ1 LYS 42 14.133 18.798 3.736 326 HZ2 LYS 42 HZ2 LYS 42 15.191 18.815 5.046 327 HZ3 LYS 42 HZ3 LYS 42 15.553 17.921 3.690 328 H LEU 43 H LEU 43 12.305 23.243 2.480 329 HA LEU 43 HA LEU 43 13.146 22.785 -0.226 330 HB2 LEU 43 HB2 LEU 43 10.413 22.545 0.944 331 HB3 LEU 43 HB1 LEU 43 10.994 21.770 -0.514 332 HG LEU 43 HG LEU 43 11.870 21.179 2.288 333 HD11 LEU 43 HD11 LEU 43 10.735 19.023 1.906 334 HD12 LEU 43 HD12 LEU 43 10.087 19.669 0.383 335 HD13 LEU 43 HD13 LEU 43 9.677 20.422 1.936 336 HD21 LEU 43 HD21 LEU 43 13.683 20.813 0.729 337 HD22 LEU 43 HD22 LEU 43 12.639 19.822 -0.296 338 HD23 LEU 43 HD23 LEU 43 13.071 19.276 1.329 339 H ARG 44 H ARG 44 12.216 25.429 1.290 340 HA ARG 44 HA ARG 44 10.290 26.689 -0.290 341 HB2 ARG 44 HB2 ARG 44 11.175 28.781 0.676 342 HB3 ARG 44 HB1 ARG 44 10.915 27.530 1.887 343 HG2 ARG 44 HG2 ARG 44 13.298 26.995 1.842 344 HG3 ARG 44 HG1 ARG 44 13.555 28.252 0.643 345 HD2 ARG 44 HD2 ARG 44 12.688 29.929 2.254 346 HD3 ARG 44 HD1 ARG 44 12.550 28.650 3.454 347 HE ARG 44 HE ARG 44 15.020 28.353 3.114 348 HH11 ARG 44 HH11 ARG 44 13.538 31.514 2.488 349 HH12 ARG 44 HH12 ARG 44 14.886 32.394 3.051 350 HH21 ARG 44 HH21 ARG 44 16.859 29.595 3.857 351 HH22 ARG 44 HH22 ARG 44 16.781 31.293 3.843 352 H MET 45 H MET 45 13.427 25.870 -1.013 353 HA MET 45 HA MET 45 13.350 27.244 -3.588 354 HB2 MET 45 HB2 MET 45 15.663 28.047 -3.263 355 HB3 MET 45 HB1 MET 45 14.515 28.811 -2.160 356 HG2 MET 45 HG2 MET 45 15.166 27.304 -0.405 357 HG3 MET 45 HG1 MET 45 16.325 26.507 -1.461 358 HE1 MET 45 HE1 MET 45 15.436 29.749 0.533 359 HE2 MET 45 HE2 MET 45 15.512 30.379 -1.114 360 HE3 MET 45 HE3 MET 45 16.728 30.853 0.069 361 H ALA 46 H ALA 46 13.385 24.486 -2.155 362 HA ALA 46 HA ALA 46 15.581 23.332 -3.653 363 HB1 ALA 46 HB1 ALA 46 16.398 22.130 -1.697 364 HB2 ALA 46 HB2 ALA 46 15.180 22.932 -0.710 365 HB3 ALA 46 HB3 ALA 46 16.478 23.879 -1.439 366 H VAL 47 H VAL 47 14.049 22.349 -4.913 367 HA VAL 47 HA VAL 47 12.666 20.134 -3.576 368 HB VAL 47 HB VAL 47 11.576 21.666 -5.956 369 HG11 VAL 47 HG11 VAL 47 10.331 19.479 -4.290 370 HG12 VAL 47 HG12 VAL 47 10.903 19.337 -5.953 371 HG13 VAL 47 HG13 VAL 47 9.515 20.363 -5.580 372 HG21 VAL 47 HG21 VAL 47 10.621 21.756 -3.089 373 HG22 VAL 47 HG22 VAL 47 9.813 22.523 -4.458 374 HG23 VAL 47 HG23 VAL 47 11.416 23.065 -3.961 375 H GLU 48 H GLU 48 13.349 21.380 -6.808 376 HA GLU 48 HA GLU 48 14.226 18.719 -7.597 377 HB2 GLU 48 HB2 GLU 48 13.463 21.139 -9.237 378 HB3 GLU 48 HB1 GLU 48 14.065 19.635 -9.915 379 HG2 GLU 48 HG2 GLU 48 12.139 18.443 -9.095 380 HG3 GLU 48 HG1 GLU 48 11.559 19.890 -8.272 381 H ASN 49 H ASN 49 16.105 19.193 -6.243 382 HA ASN 49 HA ASN 49 18.200 20.494 -7.847 383 HB2 ASN 49 HB2 ASN 49 18.024 20.559 -4.809 384 HB3 ASN 49 HB1 ASN 49 19.328 21.215 -5.775 385 HD21 ASN 49 HD21 ASN 49 17.306 22.398 -7.703 386 HD22 ASN 49 HD22 ASN 49 16.717 23.776 -6.853 387 HA PRO 50 HA PRO 50 20.244 16.604 -7.753 388 HB2 PRO 50 HB2 PRO 50 22.782 17.360 -6.815 389 HB3 PRO 50 HB1 PRO 50 22.259 17.296 -8.499 390 HG2 PRO 50 HG2 PRO 50 22.393 19.621 -6.640 391 HG3 PRO 50 HG1 PRO 50 22.728 19.549 -8.380 392 HD2 PRO 50 HD2 PRO 50 20.464 20.618 -7.481 393 HD3 PRO 50 HD1 PRO 50 20.461 19.600 -8.936 394 H LYS 51 H LYS 51 21.213 18.475 -4.845 395 HA LYS 51 HA LYS 51 21.581 15.996 -3.421 396 HB2 LYS 51 HB2 LYS 51 21.765 18.818 -2.375 397 HB3 LYS 51 HB1 LYS 51 22.135 17.359 -1.474 398 HG2 LYS 51 HG2 LYS 51 23.560 18.317 -3.940 399 HG3 LYS 51 HG1 LYS 51 24.170 18.436 -2.287 400 HD2 LYS 51 HD2 LYS 51 23.631 15.890 -3.847 401 HD3 LYS 51 HD1 LYS 51 25.204 16.551 -3.427 402 HE2 LYS 51 HE2 LYS 51 24.716 16.212 -1.042 403 HE3 LYS 51 HE1 LYS 51 23.128 15.578 -1.466 404 HZ1 LYS 51 HZ1 LYS 51 24.669 13.787 -1.051 405 HZ2 LYS 51 HZ2 LYS 51 25.728 14.354 -2.226 406 HZ3 LYS 51 HZ3 LYS 51 24.201 13.785 -2.669 407 H GLN 52 H GLN 52 18.968 17.852 -4.087 408 HA GLN 52 HA GLN 52 17.622 17.225 -1.605 409 HB2 GLN 52 HB2 GLN 52 16.530 18.445 -4.143 410 HB3 GLN 52 HB1 GLN 52 15.615 18.232 -2.655 411 HG2 GLN 52 HG2 GLN 52 18.089 19.890 -2.967 412 HG3 GLN 52 HG1 GLN 52 16.432 20.509 -2.905 413 HE21 GLN 52 HE21 GLN 52 18.745 21.013 -1.233 414 HE22 GLN 52 HE22 GLN 52 18.299 20.616 0.383 415 H GLN 53 H GLN 53 18.133 15.929 -4.714 416 HA GLN 53 HA GLN 53 15.885 14.201 -4.883 417 HB2 GLN 53 HB2 GLN 53 18.576 14.111 -6.245 418 HB3 GLN 53 HB1 GLN 53 17.244 13.035 -6.627 419 HG2 GLN 53 HG2 GLN 53 15.898 14.907 -7.342 420 HG3 GLN 53 HG1 GLN 53 17.178 16.027 -6.880 421 HE21 GLN 53 HE21 GLN 53 16.198 13.589 -9.179 422 HE22 GLN 53 HE22 GLN 53 17.377 13.986 -10.368 423 H GLN 54 H GLN 54 18.427 14.202 -2.833 424 HA GLN 54 HA GLN 54 19.385 11.653 -2.541 425 HB2 GLN 54 HB2 GLN 54 19.789 12.177 -0.185 426 HB3 GLN 54 HB1 GLN 54 20.162 13.569 -1.191 427 HG2 GLN 54 HG2 GLN 54 18.133 14.651 -0.578 428 HG3 GLN 54 HG1 GLN 54 17.563 13.232 0.265 429 HE21 GLN 54 HE21 GLN 54 17.359 14.295 2.221 430 HE22 GLN 54 HE22 GLN 54 18.711 14.803 3.158 431 H HIS 55 H HIS 55 16.315 12.955 -1.394 432 HA HIS 55 HA HIS 55 15.555 10.761 0.177 433 HB2 HIS 55 HB2 HIS 55 13.184 11.704 -0.079 434 HB3 HIS 55 HB1 HIS 55 14.386 12.758 0.636 435 HD1 HIS 55 HD1 HIS 55 13.017 14.904 -0.031 436 HD2 HIS 55 HD2 HIS 55 14.181 12.546 -3.229 437 HE1 HIS 55 HE1 HIS 55 12.563 16.272 -2.090 438 H LEU 56 H LEU 56 15.401 11.226 -3.198 439 HA LEU 56 HA LEU 56 13.559 9.005 -3.585 440 HB2 LEU 56 HB2 LEU 56 13.428 11.071 -5.026 441 HB3 LEU 56 HB1 LEU 56 15.013 10.693 -5.649 442 HG LEU 56 HG LEU 56 13.078 10.151 -7.174 443 HD11 LEU 56 HD11 LEU 56 14.824 7.824 -6.447 444 HD12 LEU 56 HD12 LEU 56 15.206 9.108 -7.594 445 HD13 LEU 56 HD13 LEU 56 13.885 7.990 -7.931 446 HD21 LEU 56 HD21 LEU 56 11.524 9.351 -5.499 447 HD22 LEU 56 HD22 LEU 56 12.565 7.958 -5.187 448 HD23 LEU 56 HD23 LEU 56 11.788 8.146 -6.757 449 H SER 57 H SER 57 16.884 9.944 -4.055 450 HA SER 57 HA SER 57 17.909 7.599 -5.143 451 HB2 SER 57 HB2 SER 57 19.107 9.830 -4.869 452 HB3 SER 57 HB1 SER 57 19.283 9.420 -3.162 453 HG SER 57 HG SER 57 20.931 8.278 -3.659 454 H LEU 58 H LEU 58 16.857 8.348 -1.952 455 HA LEU 58 HA LEU 58 18.045 5.999 -0.805 456 HB2 LEU 58 HB2 LEU 58 16.173 8.063 0.331 457 HB3 LEU 58 HB1 LEU 58 16.895 6.806 1.303 458 HG LEU 58 HG LEU 58 18.377 8.934 -0.200 459 HD11 LEU 58 HD11 LEU 58 17.906 8.587 2.759 460 HD12 LEU 58 HD12 LEU 58 17.133 9.776 1.724 461 HD13 LEU 58 HD13 LEU 58 18.878 9.860 2.012 462 HD21 LEU 58 HD21 LEU 58 19.711 6.923 -0.034 463 HD22 LEU 58 HD22 LEU 58 19.377 6.807 1.693 464 HD23 LEU 58 HD23 LEU 58 20.348 8.142 1.071 465 H CYS 59 H CYS 59 14.689 7.173 -1.264 466 HA CYS 59 HA CYS 59 13.385 4.838 -0.452 467 HB2 CYS 59 HB2 CYS 59 12.160 6.859 -0.674 468 HB3 CYS 59 HB1 CYS 59 12.537 6.996 -2.382 469 H CYS 60 H CYS 60 14.120 5.779 -3.900 470 HA CYS 60 HA CYS 60 13.201 3.567 -5.131 471 HB2 CYS 60 HB2 CYS 60 13.887 5.789 -6.031 472 HB3 CYS 60 HB1 CYS 60 15.574 5.282 -5.890 473 H ASN 61 H ASN 61 16.158 4.138 -3.408 474 HA ASN 61 HA ASN 61 17.556 1.839 -4.499 475 HB2 ASN 61 HB2 ASN 61 18.660 3.896 -3.914 476 HB3 ASN 61 HB1 ASN 61 18.277 3.674 -2.219 477 HD21 ASN 61 HD21 ASN 61 19.437 1.162 -4.462 478 HD22 ASN 61 HD22 ASN 61 20.947 0.947 -3.666 479 H GLN 62 H GLN 62 15.580 2.604 -1.824 480 HA GLN 62 HA GLN 62 16.328 0.328 -0.311 481 HB2 GLN 62 HB2 GLN 62 15.519 2.281 0.858 482 HB3 GLN 62 HB1 GLN 62 14.024 2.264 -0.062 483 HG2 GLN 62 HG2 GLN 62 13.610 1.461 2.159 484 HG3 GLN 62 HG1 GLN 62 13.415 0.140 1.012 485 HE21 GLN 62 HE21 GLN 62 14.930 -1.536 1.010 486 HE22 GLN 62 HE22 GLN 62 16.025 -1.754 2.337 487 H LEU 63 H LEU 63 13.629 1.257 -2.358 488 HA LEU 63 HA LEU 63 12.112 -1.084 -1.933 489 HB2 LEU 63 HB2 LEU 63 10.604 -0.192 -3.579 490 HB3 LEU 63 HB1 LEU 63 11.245 1.161 -2.678 491 HG LEU 63 HG LEU 63 12.922 1.342 -4.638 492 HD11 LEU 63 HD11 LEU 63 11.959 0.791 -6.766 493 HD12 LEU 63 HD12 LEU 63 10.607 -0.033 -5.959 494 HD13 LEU 63 HD13 LEU 63 12.240 -0.655 -5.789 495 HD21 LEU 63 HD21 LEU 63 10.060 2.216 -4.708 496 HD22 LEU 63 HD22 LEU 63 11.338 2.837 -5.761 497 HD23 LEU 63 HD23 LEU 63 11.443 3.071 -4.009 498 H GLN 64 H GLN 64 14.511 -0.199 -4.289 499 HA GLN 64 HA GLN 64 14.009 -2.229 -6.201 500 HB2 GLN 64 HB2 GLN 64 16.072 -1.538 -7.238 501 HB3 GLN 64 HB1 GLN 64 15.283 -0.108 -6.563 502 HG2 GLN 64 HG2 GLN 64 16.681 -0.063 -4.721 503 HG3 GLN 64 HG1 GLN 64 17.414 -1.613 -5.121 504 HE21 GLN 64 HE21 GLN 64 19.403 -0.929 -5.253 505 HE22 GLN 64 HE22 GLN 64 20.020 0.155 -6.470 506 H GLU 65 H GLU 65 15.550 -2.335 -3.159 507 HA GLU 65 HA GLU 65 17.197 -4.610 -3.805 508 HB2 GLU 65 HB2 GLU 65 16.611 -3.353 -1.121 509 HB3 GLU 65 HB1 GLU 65 17.810 -4.601 -1.422 510 HG2 GLU 65 HG2 GLU 65 17.847 -1.781 -2.490 511 HG3 GLU 65 HG1 GLU 65 18.867 -2.452 -1.224 512 H VAL 66 H VAL 66 14.044 -4.010 -2.952 513 HA VAL 66 HA VAL 66 13.454 -6.564 -1.723 514 HB VAL 66 HB VAL 66 11.493 -4.665 -3.058 515 HG11 VAL 66 HG11 VAL 66 9.865 -5.529 -1.467 516 HG12 VAL 66 HG12 VAL 66 11.096 -6.592 -0.782 517 HG13 VAL 66 HG13 VAL 66 10.563 -6.821 -2.448 518 HG21 VAL 66 HG21 VAL 66 12.537 -4.491 -0.236 519 HG22 VAL 66 HG22 VAL 66 11.163 -3.584 -0.885 520 HG23 VAL 66 HG23 VAL 66 12.770 -3.324 -1.546 521 H GLU 67 H GLU 67 11.999 -8.123 -2.866 522 HA GLU 67 HA GLU 67 12.904 -9.111 -5.254 523 HB2 GLU 67 HB2 GLU 67 10.257 -9.316 -3.886 524 HB3 GLU 67 HB1 GLU 67 10.618 -10.245 -5.337 525 HG2 GLU 67 HG2 GLU 67 12.409 -11.297 -4.286 526 HG3 GLU 67 HG1 GLU 67 12.247 -10.313 -2.822 527 H LYS 68 H LYS 68 12.288 -8.939 -7.361 528 HA LYS 68 HA LYS 68 11.622 -6.373 -8.224 529 HB2 LYS 68 HB2 LYS 68 11.505 -7.278 -10.490 530 HB3 LYS 68 HB1 LYS 68 12.960 -7.768 -9.660 531 HG2 LYS 68 HG2 LYS 68 11.975 -9.953 -9.258 532 HG3 LYS 68 HG1 LYS 68 10.519 -9.458 -10.141 533 HD2 LYS 68 HD2 LYS 68 11.926 -10.672 -11.668 534 HD3 LYS 68 HD1 LYS 68 11.994 -8.937 -12.043 535 HE2 LYS 68 HE2 LYS 68 14.111 -8.712 -10.919 536 HE3 LYS 68 HE1 LYS 68 14.055 -10.405 -10.420 537 HZ1 LYS 68 HZ1 LYS 68 14.167 -9.439 -13.214 538 HZ2 LYS 68 HZ2 LYS 68 14.200 -11.044 -12.721 539 HZ3 LYS 68 HZ3 LYS 68 15.473 -10.011 -12.329 540 H GLN 69 H GLN 69 9.577 -9.096 -7.702 541 HA GLN 69 HA GLN 69 7.339 -7.861 -9.060 542 HB2 GLN 69 HB2 GLN 69 6.036 -9.758 -8.200 543 HB3 GLN 69 HB1 GLN 69 7.482 -10.252 -9.073 544 HG2 GLN 69 HG2 GLN 69 8.615 -10.722 -6.979 545 HG3 GLN 69 HG1 GLN 69 7.228 -10.135 -6.079 546 HE21 GLN 69 HE21 GLN 69 6.782 -11.973 -8.977 547 HE22 GLN 69 HE22 GLN 69 6.215 -13.418 -8.242 548 H CYS 70 H CYS 70 8.773 -7.491 -6.079 549 HA CYS 70 HA CYS 70 6.274 -6.695 -4.791 550 HB2 CYS 70 HB2 CYS 70 8.897 -7.438 -3.539 551 HB3 CYS 70 HB1 CYS 70 7.396 -7.115 -2.674 552 H GLN 71 H GLN 71 9.198 -5.505 -6.085 553 HA GLN 71 HA GLN 71 9.804 -3.180 -4.620 554 HB2 GLN 71 HB2 GLN 71 9.898 -3.776 -7.551 555 HB3 GLN 71 HB1 GLN 71 10.494 -2.274 -6.865 556 HG2 GLN 71 HG2 GLN 71 12.165 -3.388 -5.649 557 HG3 GLN 71 HG1 GLN 71 11.454 -4.963 -5.983 558 HE21 GLN 71 HE21 GLN 71 13.445 -5.604 -6.752 559 HE22 GLN 71 HE22 GLN 71 13.989 -5.177 -8.340 560 H CYS 72 H CYS 72 7.476 -3.585 -7.267 561 HA CYS 72 HA CYS 72 6.580 -0.906 -6.947 562 HB2 CYS 72 HB2 CYS 72 4.767 -1.612 -8.546 563 HB3 CYS 72 HB1 CYS 72 6.432 -1.743 -9.110 564 H GLU 73 H GLU 73 5.796 -3.864 -5.558 565 HA GLU 73 HA GLU 73 3.263 -3.054 -4.690 566 HB2 GLU 73 HB2 GLU 73 5.065 -5.198 -3.646 567 HB3 GLU 73 HB1 GLU 73 3.420 -5.028 -3.096 568 HG2 GLU 73 HG2 GLU 73 4.416 -5.777 -5.828 569 HG3 GLU 73 HG1 GLU 73 3.390 -6.714 -4.760 570 H ALA 74 H ALA 74 6.530 -2.757 -3.478 571 HA ALA 74 HA ALA 74 6.008 -1.987 -0.877 572 HB1 ALA 74 HB1 ALA 74 8.284 -1.140 -2.675 573 HB2 ALA 74 HB2 ALA 74 8.200 -2.643 -1.768 574 HB3 ALA 74 HB3 ALA 74 8.277 -1.104 -0.903 575 H ILE 75 H ILE 75 5.610 -0.430 -3.893 576 HA ILE 75 HA ILE 75 5.681 2.279 -3.034 577 HB ILE 75 HB ILE 75 4.271 1.072 -5.412 578 HG12 ILE 75 HG12 ILE 75 6.559 0.412 -5.517 579 HG13 ILE 75 HG11 ILE 75 6.318 1.693 -6.703 580 HG21 ILE 75 HG21 ILE 75 3.570 3.334 -4.879 581 HG22 ILE 75 HG22 ILE 75 4.414 3.253 -6.412 582 HG23 ILE 75 HG23 ILE 75 5.243 3.883 -4.984 583 HD11 ILE 75 HD11 ILE 75 7.349 3.257 -5.042 584 HD12 ILE 75 HD12 ILE 75 8.386 1.959 -5.647 585 HD13 ILE 75 HD13 ILE 75 7.677 1.824 -4.038 586 H LYS 76 H LYS 76 3.389 -0.308 -2.942 587 HA LYS 76 HA LYS 76 0.990 1.344 -2.996 588 HB2 LYS 76 HB2 LYS 76 1.297 -1.486 -1.943 589 HB3 LYS 76 HB1 LYS 76 -0.188 -0.715 -2.464 590 HG2 LYS 76 HG2 LYS 76 2.115 -1.384 -4.280 591 HG3 LYS 76 HG1 LYS 76 0.704 -2.413 -4.054 592 HD2 LYS 76 HD2 LYS 76 -0.708 -0.574 -4.900 593 HD3 LYS 76 HD1 LYS 76 0.757 0.383 -5.161 594 HE2 LYS 76 HE2 LYS 76 0.001 -0.706 -7.228 595 HE3 LYS 76 HE1 LYS 76 1.594 -1.262 -6.728 596 HZ1 LYS 76 HZ1 LYS 76 0.592 -3.322 -5.891 597 HZ2 LYS 76 HZ2 LYS 76 0.116 -3.057 -7.489 598 HZ3 LYS 76 HZ3 LYS 76 -0.951 -2.727 -6.251 599 H GLN 77 H GLN 77 3.031 -0.316 -0.916 600 HA GLN 77 HA GLN 77 1.909 -0.083 1.615 601 HB2 GLN 77 HB2 GLN 77 4.808 -0.024 0.854 602 HB3 GLN 77 HB1 GLN 77 4.149 -0.495 2.408 603 HG2 GLN 77 HG2 GLN 77 3.347 -1.863 -0.083 604 HG3 GLN 77 HG1 GLN 77 4.782 -2.403 0.714 605 HE21 GLN 77 HE21 GLN 77 4.411 -3.262 2.974 606 HE22 GLN 77 HE22 GLN 77 2.853 -3.848 3.389 607 H VAL 78 H VAL 78 4.281 2.000 -0.067 608 HA VAL 78 HA VAL 78 4.687 3.852 1.919 609 HB VAL 78 HB VAL 78 4.504 4.716 -0.978 610 HG11 VAL 78 HG11 VAL 78 4.709 6.513 0.534 611 HG12 VAL 78 HG12 VAL 78 6.215 6.327 -0.370 612 HG13 VAL 78 HG13 VAL 78 6.104 5.766 1.302 613 HG21 VAL 78 HG21 VAL 78 6.813 4.125 -1.289 614 HG22 VAL 78 HG22 VAL 78 5.911 2.682 -0.786 615 HG23 VAL 78 HG23 VAL 78 6.907 3.562 0.374 616 H VAL 79 H VAL 79 2.175 3.693 -0.576 617 HA VAL 79 HA VAL 79 1.140 6.303 -0.087 618 HB VAL 79 HB VAL 79 -0.341 3.982 -1.337 619 HG11 VAL 79 HG11 VAL 79 -1.637 5.720 -2.471 620 HG12 VAL 79 HG12 VAL 79 -0.681 6.956 -1.644 621 HG13 VAL 79 HG13 VAL 79 -1.720 5.888 -0.709 622 HG21 VAL 79 HG21 VAL 79 1.471 5.998 -2.669 623 HG22 VAL 79 HG22 VAL 79 0.437 4.839 -3.512 624 HG23 VAL 79 HG23 VAL 79 1.761 4.264 -2.497 625 H GLU 80 H GLU 80 0.350 3.081 0.917 626 HA GLU 80 HA GLU 80 -2.062 3.614 2.234 627 HB2 GLU 80 HB2 GLU 80 -1.274 1.377 1.547 628 HB3 GLU 80 HB1 GLU 80 -0.037 1.449 2.789 629 HG2 GLU 80 HG2 GLU 80 -1.759 1.526 4.506 630 HG3 GLU 80 HG1 GLU 80 -3.006 1.474 3.260 631 H GLN 81 H GLN 81 1.254 3.292 3.513 632 HA GLN 81 HA GLN 81 0.416 3.885 6.180 633 HB2 GLN 81 HB2 GLN 81 2.797 3.920 6.723 634 HB3 GLN 81 HB1 GLN 81 2.368 2.495 5.788 635 HG2 GLN 81 HG2 GLN 81 3.256 3.592 3.762 636 HG3 GLN 81 HG1 GLN 81 3.698 4.976 4.747 637 HE21 GLN 81 HE21 GLN 81 4.570 3.357 7.014 638 HE22 GLN 81 HE22 GLN 81 6.066 2.651 6.465 639 H ALA 82 H ALA 82 1.598 5.843 3.530 640 HA ALA 82 HA ALA 82 2.176 8.087 5.177 641 HB1 ALA 82 HB1 ALA 82 2.398 9.327 3.084 642 HB2 ALA 82 HB2 ALA 82 1.688 7.975 2.201 643 HB3 ALA 82 HB3 ALA 82 3.250 7.784 2.998 644 H GLN 83 H GLN 83 -0.627 7.072 3.285 645 HA GLN 83 HA GLN 83 -1.979 9.526 3.713 646 HB2 GLN 83 HB2 GLN 83 -3.953 8.478 2.785 647 HB3 GLN 83 HB1 GLN 83 -2.560 8.030 1.818 648 HG2 GLN 83 HG2 GLN 83 -2.504 5.852 2.947 649 HG3 GLN 83 HG1 GLN 83 -3.929 6.315 3.873 650 HE21 GLN 83 HE21 GLN 83 -2.693 5.427 0.818 651 HE22 GLN 83 HE22 GLN 83 -4.206 5.109 0.045 652 H LYS 84 H LYS 84 -1.948 6.402 5.337 653 HA LYS 84 HA LYS 84 -4.129 6.993 6.998 654 HB2 LYS 84 HB2 LYS 84 -3.539 4.987 8.292 655 HB3 LYS 84 HB1 LYS 84 -3.455 4.670 6.574 656 HG2 LYS 84 HG2 LYS 84 -1.597 3.528 7.415 657 HG3 LYS 84 HG1 LYS 84 -0.950 5.072 6.845 658 HD2 LYS 84 HD2 LYS 84 -0.828 5.945 8.984 659 HD3 LYS 84 HD1 LYS 84 -1.679 4.566 9.711 660 HE2 LYS 84 HE2 LYS 84 0.212 3.119 9.057 661 HE3 LYS 84 HE1 LYS 84 1.030 4.515 8.354 662 HZ1 LYS 84 HZ1 LYS 84 0.315 4.205 11.217 663 HZ2 LYS 84 HZ2 LYS 84 1.134 5.505 10.578 664 HZ3 LYS 84 HZ3 LYS 84 1.855 3.991 10.591 665 H GLN 85 H GLN 85 -0.738 7.646 7.289 666 HA GLN 85 HA GLN 85 -0.908 8.176 10.069 667 HB2 GLN 85 HB2 GLN 85 1.398 8.689 10.000 668 HB3 GLN 85 HB1 GLN 85 1.137 7.534 8.687 669 HG2 GLN 85 HG2 GLN 85 1.302 9.186 7.045 670 HG3 GLN 85 HG1 GLN 85 1.214 10.477 8.241 671 HE21 GLN 85 HE21 GLN 85 3.241 10.072 6.268 672 HE22 GLN 85 HE22 GLN 85 4.717 9.852 7.107 673 H LEU 86 H LEU 86 -1.267 10.101 7.183 674 HA LEU 86 HA LEU 86 -1.326 12.514 8.744 675 HB2 LEU 86 HB2 LEU 86 -1.138 11.866 5.907 676 HB3 LEU 86 HB1 LEU 86 -2.175 13.239 6.211 677 HG LEU 86 HG LEU 86 0.160 13.879 5.708 678 HD11 LEU 86 HD11 LEU 86 0.376 15.472 7.511 679 HD12 LEU 86 HD12 LEU 86 -0.702 14.492 8.513 680 HD13 LEU 86 HD13 LEU 86 -1.329 15.279 7.079 681 HD21 LEU 86 HD21 LEU 86 1.320 12.000 6.752 682 HD22 LEU 86 HD22 LEU 86 0.762 12.529 8.338 683 HD23 LEU 86 HD23 LEU 86 1.881 13.532 7.423 684 H GLN 87 H GLN 87 -3.579 10.441 7.095 685 HA GLN 87 HA GLN 87 -5.900 11.944 7.243 686 HB2 GLN 87 HB2 GLN 87 -5.633 9.829 6.002 687 HB3 GLN 87 HB1 GLN 87 -5.591 8.957 7.522 688 HG2 GLN 87 HG2 GLN 87 -7.896 9.713 7.980 689 HG3 GLN 87 HG1 GLN 87 -7.924 10.489 6.395 690 HE21 GLN 87 HE21 GLN 87 -9.583 8.331 7.408 691 HE22 GLN 87 HE22 GLN 87 -9.341 7.004 6.332 692 H GLN 88 H GLN 88 -4.432 9.811 9.652 693 HA GLN 88 HA GLN 88 -6.639 10.320 11.490 694 HB2 GLN 88 HB2 GLN 88 -5.655 8.690 12.937 695 HB3 GLN 88 HB1 GLN 88 -5.692 8.035 11.303 696 HG2 GLN 88 HG2 GLN 88 -3.293 8.627 11.080 697 HG3 GLN 88 HG1 GLN 88 -3.302 9.142 12.764 698 HE21 GLN 88 HE21 GLN 88 -5.137 6.970 13.519 699 HE22 GLN 88 HE22 GLN 88 -4.183 5.537 13.524 700 H GLY 89 H GLY 89 -3.840 11.756 10.666 701 HA2 GLY 89 HA2 GLY 89 -3.067 12.565 13.345 702 HA3 GLY 89 HA1 GLY 89 -2.210 12.945 11.858 703 H GLN 90 H GLN 90 -3.239 14.502 10.437 704 HA GLN 90 HA GLN 90 -4.704 16.554 11.974 705 HB2 GLN 90 HB2 GLN 90 -3.191 18.261 11.014 706 HB3 GLN 90 HB1 GLN 90 -2.428 17.107 12.120 707 HG2 GLN 90 HG2 GLN 90 -1.512 15.882 10.221 708 HG3 GLN 90 HG1 GLN 90 -2.269 17.019 9.112 709 HE21 GLN 90 HE21 GLN 90 0.542 16.297 9.546 710 HE22 GLN 90 HE22 GLN 90 1.378 17.778 9.832 711 H GLY 91 H GLY 91 -4.403 14.867 9.144 712 HA2 GLY 91 HA2 GLY 91 -6.193 15.110 7.457 713 HA3 GLY 91 HA1 GLY 91 -5.915 16.858 7.591 714 H GLY 92 H GLY 92 -4.470 17.753 6.205 715 HA2 GLY 92 HA2 GLY 92 -2.523 17.969 5.150 716 HA3 GLY 92 HA1 GLY 92 -2.010 16.410 5.718 717 H GLN 93 H GLN 93 -4.235 15.000 4.540 718 HA GLN 93 HA GLN 93 -3.015 14.286 2.189 719 HB2 GLN 93 HB2 GLN 93 -5.811 13.765 3.102 720 HB3 GLN 93 HB1 GLN 93 -5.157 13.062 1.620 721 HG2 GLN 93 HG2 GLN 93 -4.180 12.664 4.439 722 HG3 GLN 93 HG1 GLN 93 -4.916 11.463 3.375 723 HE21 GLN 93 HE21 GLN 93 -3.691 10.673 1.598 724 HE22 GLN 93 HE22 GLN 93 -1.971 10.815 1.596 725 H GLN 94 H GLN 94 -5.156 16.903 2.512 726 HA GLN 94 HA GLN 94 -5.656 17.151 -0.320 727 HB2 GLN 94 HB2 GLN 94 -6.505 19.405 0.238 728 HB3 GLN 94 HB1 GLN 94 -7.229 18.143 1.227 729 HG2 GLN 94 HG2 GLN 94 -5.792 18.722 3.074 730 HG3 GLN 94 HG1 GLN 94 -4.954 19.889 2.067 731 HE21 GLN 94 HE21 GLN 94 -5.909 21.836 1.611 732 HE22 GLN 94 HE22 GLN 94 -7.336 22.372 2.422 733 H GLN 95 H GLN 95 -3.342 18.477 1.957 734 HA GLN 95 HA GLN 95 -2.141 20.234 -0.009 735 HB2 GLN 95 HB2 GLN 95 -0.650 20.901 1.876 736 HB3 GLN 95 HB1 GLN 95 -2.381 21.117 2.253 737 HG2 GLN 95 HG2 GLN 95 -2.296 19.045 3.485 738 HG3 GLN 95 HG1 GLN 95 -0.566 18.933 3.184 739 HE21 GLN 95 HE21 GLN 95 -3.076 20.561 4.966 740 HE22 GLN 95 HE22 GLN 95 -2.014 21.374 6.043 741 H VAL 96 H VAL 96 -1.417 17.411 1.796 742 HA VAL 96 HA VAL 96 1.180 16.827 0.805 743 HB VAL 96 HB VAL 96 -0.908 15.037 2.123 744 HG11 VAL 96 HG11 VAL 96 1.981 14.451 1.558 745 HG12 VAL 96 HG12 VAL 96 0.572 13.615 0.892 746 HG13 VAL 96 HG13 VAL 96 0.923 13.520 2.623 747 HG21 VAL 96 HG21 VAL 96 1.553 16.359 3.250 748 HG22 VAL 96 HG22 VAL 96 0.441 15.287 4.119 749 HG23 VAL 96 HG23 VAL 96 -0.121 16.846 3.524 750 H GLN 97 H GLN 97 -1.960 16.431 -0.492 751 HA GLN 97 HA GLN 97 -1.883 14.199 -2.092 752 HB2 GLN 97 HB2 GLN 97 -3.820 15.689 -1.922 753 HB3 GLN 97 HB1 GLN 97 -2.963 16.867 -2.913 754 HG2 GLN 97 HG2 GLN 97 -2.957 15.361 -4.780 755 HG3 GLN 97 HG1 GLN 97 -3.728 14.104 -3.825 756 HE21 GLN 97 HE21 GLN 97 -4.622 15.432 -6.281 757 HE22 GLN 97 HE22 GLN 97 -6.168 16.096 -5.897 758 H GLN 98 H GLN 98 -0.530 17.351 -2.970 759 HA GLN 98 HA GLN 98 0.349 16.768 -5.552 760 HB2 GLN 98 HB2 GLN 98 1.906 18.657 -5.245 761 HB3 GLN 98 HB1 GLN 98 0.276 19.030 -4.700 762 HG2 GLN 98 HG2 GLN 98 0.948 18.631 -2.390 763 HG3 GLN 98 HG1 GLN 98 2.577 18.247 -2.928 764 HE21 GLN 98 HE21 GLN 98 1.521 20.298 -1.150 765 HE22 GLN 98 HE22 GLN 98 2.138 21.797 -1.753 766 H MET 99 H MET 99 1.698 15.835 -2.494 767 HA MET 99 HA MET 99 4.297 15.216 -3.706 768 HB2 MET 99 HB2 MET 99 3.727 16.376 -1.326 769 HB3 MET 99 HB1 MET 99 3.757 14.726 -0.831 770 HG2 MET 99 HG2 MET 99 5.892 15.663 -0.485 771 HG3 MET 99 HG1 MET 99 5.957 14.376 -1.700 772 HE1 MET 99 HE1 MET 99 8.401 15.199 -2.388 773 HE2 MET 99 HE2 MET 99 8.335 16.520 -1.219 774 HE3 MET 99 HE3 MET 99 8.780 16.846 -2.892 775 H VAL 100 H VAL 100 1.763 13.761 -1.774 776 HA VAL 100 HA VAL 100 2.836 11.177 -1.877 777 HB VAL 100 HB VAL 100 1.098 11.699 -0.233 778 HG11 VAL 100 HG11 VAL 100 -1.267 11.849 -0.859 779 HG12 VAL 100 HG12 VAL 100 -0.794 11.833 -2.562 780 HG13 VAL 100 HG13 VAL 100 -0.288 13.161 -1.514 781 HG21 VAL 100 HG21 VAL 100 1.410 9.373 -0.778 782 HG22 VAL 100 HG22 VAL 100 0.289 9.529 -2.130 783 HG23 VAL 100 HG23 VAL 100 -0.311 9.678 -0.469 784 H LYS 101 H LYS 101 0.945 12.881 -4.267 785 HA LYS 101 HA LYS 101 0.263 10.660 -5.805 786 HB2 LYS 101 HB2 LYS 101 -0.279 12.173 -7.560 787 HB3 LYS 101 HB1 LYS 101 -0.637 12.974 -6.036 788 HG2 LYS 101 HG2 LYS 101 0.316 14.697 -7.187 789 HG3 LYS 101 HG1 LYS 101 1.727 13.998 -6.388 790 HD2 LYS 101 HD2 LYS 101 2.349 12.807 -8.390 791 HD3 LYS 101 HD1 LYS 101 0.861 13.293 -9.191 792 HE2 LYS 101 HE2 LYS 101 1.614 15.652 -9.048 793 HE3 LYS 101 HE1 LYS 101 3.134 15.090 -8.352 794 HZ1 LYS 101 HZ1 LYS 101 3.358 15.468 -10.712 795 HZ2 LYS 101 HZ2 LYS 101 2.112 14.403 -11.065 796 HZ3 LYS 101 HZ3 LYS 101 3.559 13.844 -10.376 797 H LYS 102 H LYS 102 3.325 12.247 -5.404 798 HA LYS 102 HA LYS 102 4.622 11.371 -7.743 799 HB2 LYS 102 HB2 LYS 102 5.626 12.057 -5.000 800 HB3 LYS 102 HB1 LYS 102 6.684 11.660 -6.345 801 HG2 LYS 102 HG2 LYS 102 6.104 13.601 -7.519 802 HG3 LYS 102 HG1 LYS 102 4.659 13.862 -6.541 803 HD2 LYS 102 HD2 LYS 102 6.474 15.431 -5.971 804 HD3 LYS 102 HD1 LYS 102 6.011 14.407 -4.620 805 HE2 LYS 102 HE2 LYS 102 8.349 14.580 -4.636 806 HE3 LYS 102 HE1 LYS 102 7.943 12.952 -5.113 807 HZ1 LYS 102 HZ1 LYS 102 8.419 13.471 -7.419 808 HZ2 LYS 102 HZ2 LYS 102 9.739 13.981 -6.503 809 HZ3 LYS 102 HZ3 LYS 102 8.628 15.094 -7.059 810 H ALA 103 H ALA 103 3.769 9.794 -4.782 811 HA ALA 103 HA ALA 103 5.519 7.600 -4.856 812 HB1 ALA 103 HB1 ALA 103 3.863 6.398 -3.514 813 HB2 ALA 103 HB2 ALA 103 2.660 7.630 -3.894 814 HB3 ALA 103 HB3 ALA 103 4.073 8.048 -2.929 815 H GLN 104 H GLN 104 2.558 8.275 -6.544 816 HA GLN 104 HA GLN 104 2.186 5.639 -7.584 817 HB2 GLN 104 HB2 GLN 104 1.022 8.235 -8.608 818 HB3 GLN 104 HB1 GLN 104 0.396 6.617 -8.890 819 HG2 GLN 104 HG2 GLN 104 -0.024 6.425 -6.418 820 HG3 GLN 104 HG1 GLN 104 0.490 8.093 -6.274 821 HE21 GLN 104 HE21 GLN 104 -0.822 9.729 -7.046 822 HE22 GLN 104 HE22 GLN 104 -2.486 9.454 -7.406 823 H MET 105 H MET 105 4.202 8.209 -8.353 824 HA MET 105 HA MET 105 4.536 7.574 -11.187 825 HB2 MET 105 HB2 MET 105 6.048 9.514 -9.514 826 HB3 MET 105 HB1 MET 105 5.906 9.501 -11.261 827 HG2 MET 105 HG2 MET 105 3.544 9.981 -11.132 828 HG3 MET 105 HG1 MET 105 3.608 9.980 -9.388 829 HE1 MET 105 HE1 MET 105 6.346 11.546 -11.773 830 HE2 MET 105 HE2 MET 105 5.736 13.193 -11.938 831 HE3 MET 105 HE3 MET 105 4.831 11.849 -12.625 832 H LEU 106 H LEU 106 5.778 6.782 -8.170 833 HA LEU 106 HA LEU 106 8.519 6.527 -8.604 834 HB2 LEU 106 HB2 LEU 106 6.745 4.950 -6.771 835 HB3 LEU 106 HB1 LEU 106 8.486 4.819 -6.766 836 HG LEU 106 HG LEU 106 6.881 7.286 -6.146 837 HD11 LEU 106 HD11 LEU 106 8.477 5.455 -4.349 838 HD12 LEU 106 HD12 LEU 106 6.719 5.597 -4.390 839 HD13 LEU 106 HD13 LEU 106 7.703 6.956 -3.846 840 HD21 LEU 106 HD21 LEU 106 9.025 8.242 -5.414 841 HD22 LEU 106 HD22 LEU 106 8.987 7.900 -7.137 842 HD23 LEU 106 HD23 LEU 106 9.852 6.818 -6.044 843 HA PRO 107 HA PRO 107 7.798 1.957 -10.108 844 HB2 PRO 107 HB2 PRO 107 5.426 1.732 -11.517 845 HB3 PRO 107 HB1 PRO 107 5.711 1.057 -9.909 846 HG2 PRO 107 HG2 PRO 107 4.329 3.578 -10.700 847 HG3 PRO 107 HG1 PRO 107 3.946 2.446 -9.390 848 HD2 PRO 107 HD2 PRO 107 5.159 4.786 -8.890 849 HD3 PRO 107 HD1 PRO 107 5.578 3.334 -7.987 850 H ASN 108 H ASN 108 6.806 4.968 -11.696 851 HA ASN 108 HA ASN 108 7.534 3.933 -14.237 852 HB2 ASN 108 HB2 ASN 108 6.792 6.679 -13.225 853 HB3 ASN 108 HB1 ASN 108 7.097 6.262 -14.898 854 HD21 ASN 108 HD21 ASN 108 4.671 7.380 -13.745 855 HD22 ASN 108 HD22 ASN 108 3.425 6.253 -14.070 856 H GLN 109 H GLN 109 8.671 6.186 -11.790 857 HA GLN 109 HA GLN 109 10.972 7.068 -13.196 858 HB2 GLN 109 HB2 GLN 109 10.255 7.249 -10.274 859 HB3 GLN 109 HB1 GLN 109 11.616 8.079 -11.015 860 HG2 GLN 109 HG2 GLN 109 10.104 9.326 -12.450 861 HG3 GLN 109 HG1 GLN 109 8.730 8.451 -11.779 862 HE21 GLN 109 HE21 GLN 109 9.395 11.304 -11.833 863 HE22 GLN 109 HE22 GLN 109 9.331 11.819 -10.194 864 H CYS 110 H CYS 110 10.579 4.766 -10.515 865 HA CYS 110 HA CYS 110 13.344 4.095 -10.609 866 HB2 CYS 110 HB2 CYS 110 11.064 3.039 -8.910 867 HB3 CYS 110 HB1 CYS 110 12.739 2.486 -8.772 868 H ASN 111 H ASN 111 10.985 3.397 -12.618 869 HA ASN 111 HA ASN 111 10.529 1.872 -14.160 870 HB2 ASN 111 HB2 ASN 111 12.764 2.500 -14.939 871 HB3 ASN 111 HB1 ASN 111 13.474 1.259 -13.913 872 HD21 ASN 111 HD21 ASN 111 14.435 0.324 -15.756 873 HD22 ASN 111 HD22 ASN 111 13.502 -0.633 -16.857 874 H LEU 112 H LEU 112 9.392 1.030 -12.424 875 HA LEU 112 HA LEU 112 10.268 -1.603 -11.538 876 HB2 LEU 112 HB2 LEU 112 7.870 0.000 -10.652 877 HB3 LEU 112 HB1 LEU 112 8.476 -1.466 -9.913 878 HG LEU 112 HG LEU 112 9.875 1.203 -9.953 879 HD11 LEU 112 HD11 LEU 112 8.665 -0.345 -7.671 880 HD12 LEU 112 HD12 LEU 112 8.060 1.173 -8.342 881 HD13 LEU 112 HD13 LEU 112 9.607 1.129 -7.520 882 HD21 LEU 112 HD21 LEU 112 10.780 -1.422 -8.778 883 HD22 LEU 112 HD22 LEU 112 11.587 0.137 -8.574 884 HD23 LEU 112 HD23 LEU 112 11.486 -0.595 -10.165 885 H GLN 113 H GLN 113 8.706 -3.307 -11.632 886 HA GLN 113 HA GLN 113 7.648 -3.472 -14.293 887 HB2 GLN 113 HB2 GLN 113 7.658 -5.522 -12.085 888 HB3 GLN 113 HB1 GLN 113 7.388 -5.830 -13.800 889 HG2 GLN 113 HG2 GLN 113 9.624 -5.033 -14.300 890 HG3 GLN 113 HG1 GLN 113 9.868 -4.713 -12.586 891 HE21 GLN 113 HE21 GLN 113 8.194 -7.535 -13.778 892 HE22 GLN 113 HE22 GLN 113 9.405 -8.673 -13.316 893 H CYS 114 H CYS 114 6.285 -1.672 -13.046 894 HA CYS 114 HA CYS 114 3.582 -2.542 -12.998 895 HB2 CYS 114 HB2 CYS 114 5.105 -1.682 -10.619 896 HB3 CYS 114 HB1 CYS 114 3.362 -1.358 -10.661 897 H SER 115 H SER 115 2.245 -0.567 -13.132 898 HA SER 115 HA SER 115 3.551 1.997 -13.067 899 HB2 SER 115 HB2 SER 115 2.130 0.974 -15.552 900 HB3 SER 115 HB1 SER 115 2.780 2.599 -15.327 901 HG SER 115 HG SER 115 4.647 0.759 -14.788 902 H ILE 116 H ILE 116 2.060 3.547 -12.429 903 HA ILE 116 HA ILE 116 -0.603 2.493 -11.842 904 HB ILE 116 HB ILE 116 0.662 5.057 -10.813 905 HG12 ILE 116 HG12 ILE 116 1.978 3.160 -9.996 906 HG13 ILE 116 HG11 ILE 116 1.076 3.890 -8.680 907 HG21 ILE 116 HG21 ILE 116 -1.103 4.976 -9.093 908 HG22 ILE 116 HG22 ILE 116 -1.774 3.547 -9.873 909 HG23 ILE 116 HG23 ILE 116 -1.758 5.088 -10.728 910 HD11 ILE 116 HD11 ILE 116 -0.550 2.063 -8.806 911 HD12 ILE 116 HD12 ILE 116 1.096 1.490 -8.515 912 HD13 ILE 116 HD13 ILE 116 0.385 1.341 -10.123 Start of MODEL 18 1 H1 GLY 1 H GLY 1 -13.298 -4.780 2.368 2 H2 GLY 1 HT1 GLY 1 -13.361 -4.575 3.854 3 H3 GLY 1 HT2 GLY 1 -13.134 -4.678 2.183 4 HA2 GLY 1 HA1 GLY 1 -11.064 -3.495 2.398 5 HA3 GLY 1 HA2 GLY 1 -11.328 -3.428 4.138 6 H ARG 2 H ARG 2 -9.112 -4.637 2.962 7 HA ARG 2 HA ARG 2 -9.709 -7.498 3.068 8 HB2 ARG 2 HB2 ARG 2 -7.102 -6.150 2.364 9 HB3 ARG 2 HB1 ARG 2 -7.489 -7.856 2.172 10 HG2 ARG 2 HG2 ARG 2 -8.771 -5.566 0.746 11 HG3 ARG 2 HG1 ARG 2 -7.584 -6.688 0.065 12 HD2 ARG 2 HD2 ARG 2 -10.339 -7.444 1.077 13 HD3 ARG 2 HD1 ARG 2 -9.918 -7.214 -0.614 14 HE ARG 2 HE ARG 2 -8.183 -9.033 -0.043 15 HH11 ARG 2 HH11 ARG 2 -11.533 -8.921 1.148 16 HH12 ARG 2 HH12 ARG 2 -11.740 -10.605 1.163 17 HH21 ARG 2 HH21 ARG 2 -8.495 -11.370 -0.020 18 HH22 ARG 2 HH22 ARG 2 -9.969 -12.025 0.502 19 H CYS 3 H CYS 3 -8.871 -8.785 4.559 20 HA CYS 3 HA CYS 3 -7.629 -7.409 6.825 21 HB2 CYS 3 HB2 CYS 3 -9.513 -9.766 6.933 22 HB3 CYS 3 HB1 CYS 3 -8.815 -8.920 8.307 23 H THR 4 H THR 4 -6.113 -8.525 8.031 24 HA THR 4 HA THR 4 -4.444 -10.271 6.501 25 HB THR 4 HB THR 4 -2.945 -10.056 8.448 26 HG1 THR 4 HG1 THR 4 -3.572 -9.071 10.234 27 HG21 THR 4 HG21 THR 4 -2.617 -7.609 8.343 28 HG22 THR 4 HG22 THR 4 -4.183 -7.444 7.557 29 HG23 THR 4 HG23 THR 4 -2.872 -8.299 6.739 30 H LYS 5 H LYS 5 -3.539 -12.251 7.540 31 HA LYS 5 HA LYS 5 -5.611 -13.769 8.865 32 HB2 LYS 5 HB2 LYS 5 -2.950 -14.620 7.690 33 HB3 LYS 5 HB1 LYS 5 -3.952 -15.701 8.632 34 HG2 LYS 5 HG2 LYS 5 -4.289 -16.194 6.326 35 HG3 LYS 5 HG1 LYS 5 -5.745 -15.412 6.924 36 HD2 LYS 5 HD2 LYS 5 -5.077 -13.323 5.883 37 HD3 LYS 5 HD1 LYS 5 -3.557 -14.050 5.357 38 HE2 LYS 5 HE2 LYS 5 -4.789 -15.660 4.006 39 HE3 LYS 5 HE1 LYS 5 -6.311 -14.950 4.536 40 HZ1 LYS 5 HZ1 LYS 5 -4.220 -13.493 3.003 41 HZ2 LYS 5 HZ2 LYS 5 -5.767 -12.928 3.418 42 HZ3 LYS 5 HZ3 LYS 5 -5.597 -14.194 2.349 43 H SER 6 H SER 6 -5.463 -12.497 10.727 44 HA SER 6 HA SER 6 -3.621 -13.594 12.664 45 HB2 SER 6 HB2 SER 6 -2.486 -11.577 11.727 46 HB3 SER 6 HB1 SER 6 -3.854 -10.594 12.247 47 HG SER 6 HG SER 6 -1.826 -11.817 13.702 48 H ILE 7 H ILE 7 -4.357 -12.937 14.847 49 HA ILE 7 HA ILE 7 -7.138 -12.030 14.931 50 HB ILE 7 HB ILE 7 -5.944 -14.305 16.567 51 HG12 ILE 7 HG12 ILE 7 -6.617 -14.911 14.254 52 HG13 ILE 7 HG11 ILE 7 -7.569 -15.758 15.477 53 HG21 ILE 7 HG21 ILE 7 -7.402 -12.974 17.964 54 HG22 ILE 7 HG22 ILE 7 -8.150 -14.534 17.610 55 HG23 ILE 7 HG23 ILE 7 -8.691 -13.085 16.765 56 HD11 ILE 7 HD11 ILE 7 -8.422 -13.376 13.835 57 HD12 ILE 7 HD12 ILE 7 -9.396 -14.149 15.084 58 HD13 ILE 7 HD13 ILE 7 -8.953 -15.045 13.629 59 HA PRO 8 HA PRO 8 -8.288 -10.601 15.731 60 HB2 PRO 8 HB2 PRO 8 -8.391 -7.900 15.853 61 HB3 PRO 8 HB1 PRO 8 -8.833 -8.923 17.225 62 HG2 PRO 8 HG2 PRO 8 -6.271 -7.471 16.701 63 HG3 PRO 8 HG1 PRO 8 -7.190 -7.600 18.213 64 HD2 PRO 8 HD2 PRO 8 -4.999 -9.118 17.674 65 HD3 PRO 8 HD1 PRO 8 -6.334 -9.684 18.692 66 HA PRO 9 HA PRO 9 -6.525 -9.927 11.748 67 HB2 PRO 9 HB2 PRO 9 -8.751 -9.327 10.315 68 HB3 PRO 9 HB1 PRO 9 -8.394 -10.964 10.886 69 HG2 PRO 9 HG2 PRO 9 -10.171 -8.880 12.092 70 HG3 PRO 9 HG1 PRO 9 -10.505 -10.606 11.836 71 HD2 PRO 9 HD2 PRO 9 -9.756 -9.656 14.229 72 HD3 PRO 9 HD1 PRO 9 -9.208 -11.245 13.653 73 H ILE 10 H ILE 10 -5.687 -8.249 10.606 74 HA ILE 10 HA ILE 10 -6.441 -5.555 11.429 75 HB ILE 10 HB ILE 10 -4.130 -6.471 9.688 76 HG12 ILE 10 HG12 ILE 10 -3.898 -7.474 11.912 77 HG13 ILE 10 HG11 ILE 10 -2.674 -6.239 11.663 78 HG21 ILE 10 HG21 ILE 10 -4.595 -3.860 11.128 79 HG22 ILE 10 HG22 ILE 10 -4.725 -4.132 9.391 80 HG23 ILE 10 HG23 ILE 10 -3.160 -4.281 10.190 81 HD11 ILE 10 HD11 ILE 10 -5.194 -5.965 13.271 82 HD12 ILE 10 HD12 ILE 10 -4.004 -4.686 13.008 83 HD13 ILE 10 HD13 ILE 10 -3.554 -6.143 13.903 84 H CYS 11 H CYS 11 -7.862 -4.586 10.126 85 HA CYS 11 HA CYS 11 -8.032 -5.577 7.402 86 HB2 CYS 11 HB2 CYS 11 -10.104 -4.129 9.045 87 HB3 CYS 11 HB1 CYS 11 -10.326 -4.720 7.399 88 H PHE 12 H PHE 12 -7.681 -4.377 5.769 89 HA PHE 12 HA PHE 12 -6.769 -1.674 6.260 90 HB2 PHE 12 HB2 PHE 12 -6.258 -3.593 4.011 91 HB3 PHE 12 HB1 PHE 12 -5.722 -1.915 3.983 92 HD1 PHE 12 HD1 PHE 12 -4.536 -5.062 4.505 93 HD2 PHE 12 HD2 PHE 12 -4.703 -1.302 6.480 94 HE1 PHE 12 HE1 PHE 12 -2.566 -5.677 5.849 95 HE2 PHE 12 HE2 PHE 12 -2.773 -1.870 7.802 96 HZ PHE 12 HZ PHE 12 -1.664 -4.085 7.507 97 HA PRO 13 HA PRO 13 -10.269 0.120 4.491 98 HB2 PRO 13 HB2 PRO 13 -9.261 2.511 3.735 99 HB3 PRO 13 HB1 PRO 13 -9.540 2.067 5.424 100 HG2 PRO 13 HG2 PRO 13 -6.996 2.038 3.850 101 HG3 PRO 13 HG1 PRO 13 -7.278 2.585 5.512 102 HD2 PRO 13 HD2 PRO 13 -6.203 0.163 4.936 103 HD3 PRO 13 HD1 PRO 13 -7.200 0.443 6.361 104 H ASP 14 H ASP 14 -7.534 -0.471 2.440 105 HA ASP 14 HA ASP 14 -9.240 -0.552 0.135 106 HB2 ASP 14 HB2 ASP 14 -8.607 1.855 0.341 107 HB3 ASP 14 HB1 ASP 14 -6.920 1.381 0.265 108 H GLY 15 H GLY 15 -7.997 -1.460 -1.685 109 HA2 GLY 15 HA2 GLY 15 -5.969 -2.344 -2.572 110 HA3 GLY 15 HA1 GLY 15 -5.426 -2.691 -0.925 111 H LEU 16 H LEU 16 -8.021 -3.447 -3.179 112 HA LEU 16 HA LEU 16 -8.028 -6.175 -2.132 113 HB2 LEU 16 HB2 LEU 16 -10.184 -6.408 -3.455 114 HB3 LEU 16 HB1 LEU 16 -10.223 -5.350 -2.067 115 HG LEU 16 HG LEU 16 -9.998 -3.409 -3.655 116 HD11 LEU 16 HD11 LEU 16 -10.533 -5.488 -5.751 117 HD12 LEU 16 HD12 LEU 16 -9.071 -4.518 -5.532 118 HD13 LEU 16 HD13 LEU 16 -10.585 -3.731 -5.990 119 HD21 LEU 16 HD21 LEU 16 -12.343 -3.459 -4.338 120 HD22 LEU 16 HD22 LEU 16 -12.110 -3.994 -2.673 121 HD23 LEU 16 HD23 LEU 16 -12.407 -5.180 -3.948 122 H ASP 17 H ASP 17 -6.936 -4.361 -4.669 123 HA ASP 17 HA ASP 17 -6.656 -6.653 -6.465 124 HB2 ASP 17 HB2 ASP 17 -7.574 -4.682 -7.560 125 HB3 ASP 17 HB1 ASP 17 -6.261 -3.685 -6.956 126 H ASN 18 H ASN 18 -4.976 -7.756 -5.899 127 HA ASN 18 HA ASN 18 -2.463 -6.333 -5.408 128 HB2 ASN 18 HB2 ASN 18 -3.419 -8.870 -4.065 129 HB3 ASN 18 HB1 ASN 18 -1.827 -8.147 -3.845 130 HD21 ASN 18 HD21 ASN 18 -1.709 -6.134 -2.755 131 HD22 ASN 18 HD22 ASN 18 -2.948 -5.644 -1.669 132 HA PRO 19 HA PRO 19 -1.732 -8.694 -9.169 133 HB2 PRO 19 HB2 PRO 19 0.933 -7.397 -8.811 134 HB3 PRO 19 HB1 PRO 19 -0.103 -7.468 -10.235 135 HG2 PRO 19 HG2 PRO 19 0.097 -5.250 -8.817 136 HG3 PRO 19 HG1 PRO 19 -1.466 -5.754 -9.488 137 HD2 PRO 19 HD2 PRO 19 -0.445 -5.959 -6.685 138 HD3 PRO 19 HD1 PRO 19 -2.072 -5.542 -7.273 139 H ARG 20 H ARG 20 0.602 -8.477 -6.494 140 HA ARG 20 HA ARG 20 1.032 -11.381 -6.855 141 HB2 ARG 20 HB2 ARG 20 3.100 -9.540 -5.613 142 HB3 ARG 20 HB1 ARG 20 3.280 -11.241 -5.970 143 HG2 ARG 20 HG2 ARG 20 4.545 -10.180 -7.592 144 HG3 ARG 20 HG1 ARG 20 3.028 -10.534 -8.426 145 HD2 ARG 20 HD2 ARG 20 2.254 -8.293 -7.821 146 HD3 ARG 20 HD1 ARG 20 3.824 -7.950 -7.148 147 HE ARG 20 HE ARG 20 4.163 -8.819 -9.791 148 HH11 ARG 20 HH11 ARG 20 2.838 -5.994 -8.039 149 HH12 ARG 20 HH12 ARG 20 3.320 -4.902 -9.241 150 HH21 ARG 20 HH21 ARG 20 4.789 -7.259 -11.406 151 HH22 ARG 20 HH22 ARG 20 4.413 -5.612 -11.231 152 H GLY 21 H GLY 21 1.140 -8.661 -4.603 153 HA2 GLY 21 HA2 GLY 21 0.144 -8.592 -2.479 154 HA3 GLY 21 HA1 GLY 21 -0.115 -10.356 -2.595 155 H CYS 22 H CYS 22 2.596 -8.313 -3.072 156 HA CYS 22 HA CYS 22 4.319 -10.039 -1.609 157 HB2 CYS 22 HB2 CYS 22 4.567 -7.360 -2.870 158 HB3 CYS 22 HB1 CYS 22 5.911 -8.074 -2.026 159 H GLN 23 H GLN 23 5.005 -9.791 0.454 160 HA GLN 23 HA GLN 23 3.908 -7.511 1.866 161 HB2 GLN 23 HB2 GLN 23 4.428 -8.735 3.940 162 HB3 GLN 23 HB1 GLN 23 3.247 -9.546 2.885 163 HG2 GLN 23 HG2 GLN 23 4.939 -11.056 2.145 164 HG3 GLN 23 HG1 GLN 23 6.165 -10.228 3.081 165 HE21 GLN 23 HE21 GLN 23 4.396 -9.880 5.411 166 HE22 GLN 23 HE22 GLN 23 4.320 -11.414 6.177 167 H ILE 24 H ILE 24 5.138 -5.964 1.751 168 HA ILE 24 HA ILE 24 8.038 -6.284 1.904 169 HB ILE 24 HB ILE 24 6.500 -3.770 1.121 170 HG12 ILE 24 HG12 ILE 24 7.327 -4.238 -1.218 171 HG13 ILE 24 HG11 ILE 24 7.651 -5.900 -0.686 172 HG21 ILE 24 HG21 ILE 24 8.600 -3.031 0.139 173 HG22 ILE 24 HG22 ILE 24 9.405 -4.462 0.794 174 HG23 ILE 24 HG23 ILE 24 8.712 -3.254 1.888 175 HD11 ILE 24 HD11 ILE 24 5.036 -4.439 -0.848 176 HD12 ILE 24 HD12 ILE 24 5.249 -6.051 -0.163 177 HD13 ILE 24 HD13 ILE 24 5.602 -5.769 -1.864 178 H ARG 25 H ARG 25 9.159 -5.172 3.473 179 HA ARG 25 HA ARG 25 7.723 -4.662 5.851 180 HB2 ARG 25 HB2 ARG 25 9.896 -4.154 6.848 181 HB3 ARG 25 HB1 ARG 25 9.954 -5.635 5.924 182 HG2 ARG 25 HG2 ARG 25 11.076 -4.372 4.079 183 HG3 ARG 25 HG1 ARG 25 11.041 -2.957 5.124 184 HD2 ARG 25 HD2 ARG 25 12.316 -4.186 6.824 185 HD3 ARG 25 HD1 ARG 25 12.400 -5.560 5.722 186 HE ARG 25 HE ARG 25 13.649 -4.124 4.201 187 HH11 ARG 25 HH11 ARG 25 13.634 -3.317 7.685 188 HH12 ARG 25 HH12 ARG 25 15.053 -2.393 7.609 189 HH21 ARG 25 HH21 ARG 25 15.680 -2.882 4.165 190 HH22 ARG 25 HH22 ARG 25 16.253 -2.168 5.602 191 H ILE 26 H ILE 26 6.640 -2.940 6.317 192 HA ILE 26 HA ILE 26 6.728 -0.601 4.731 193 HB ILE 26 HB ILE 26 5.134 0.409 6.359 194 HG12 ILE 26 HG12 ILE 26 4.050 -1.264 8.010 195 HG13 ILE 26 HG11 ILE 26 5.513 -2.215 7.839 196 HG21 ILE 26 HG21 ILE 26 3.308 -1.121 5.839 197 HG22 ILE 26 HG22 ILE 26 4.512 -2.301 5.293 198 HG23 ILE 26 HG23 ILE 26 4.353 -0.751 4.462 199 HD11 ILE 26 HD11 ILE 26 5.336 0.591 8.920 200 HD12 ILE 26 HD12 ILE 26 6.815 -0.356 8.756 201 HD13 ILE 26 HD13 ILE 26 5.550 -0.884 9.865 202 H GLN 27 H GLN 27 8.697 -1.523 7.125 203 HA GLN 27 HA GLN 27 9.240 1.043 8.269 204 HB2 GLN 27 HB2 GLN 27 11.082 -0.115 9.412 205 HB3 GLN 27 HB1 GLN 27 9.534 -0.955 9.551 206 HG2 GLN 27 HG2 GLN 27 10.189 -2.509 7.829 207 HG3 GLN 27 HG1 GLN 27 11.726 -1.686 7.638 208 HE21 GLN 27 HE21 GLN 27 10.254 -2.244 10.769 209 HE22 GLN 27 HE22 GLN 27 11.419 -3.387 11.302 210 H GLN 28 H GLN 28 10.218 -0.694 5.446 211 HA GLN 28 HA GLN 28 12.680 0.789 5.232 212 HB2 GLN 28 HB2 GLN 28 13.140 -0.435 3.221 213 HB3 GLN 28 HB1 GLN 28 12.306 -1.531 4.330 214 HG2 GLN 28 HG2 GLN 28 10.473 -1.719 3.058 215 HG3 GLN 28 HG1 GLN 28 10.613 -0.070 2.455 216 HE21 GLN 28 HE21 GLN 28 13.348 -2.212 2.260 217 HE22 GLN 28 HE22 GLN 28 13.246 -2.400 0.551 218 H LEU 29 H LEU 29 9.389 1.044 4.294 219 HA LEU 29 HA LEU 29 9.889 3.088 2.305 220 HB2 LEU 29 HB2 LEU 29 7.302 2.026 3.391 221 HB3 LEU 29 HB1 LEU 29 7.421 3.283 2.191 222 HG LEU 29 HG LEU 29 6.943 1.471 0.926 223 HD11 LEU 29 HD11 LEU 29 9.928 1.447 0.987 224 HD12 LEU 29 HD12 LEU 29 8.888 2.519 0.070 225 HD13 LEU 29 HD13 LEU 29 8.920 0.788 -0.316 226 HD21 LEU 29 HD21 LEU 29 8.656 -0.191 2.748 227 HD22 LEU 29 HD22 LEU 29 7.886 -0.806 1.283 228 HD23 LEU 29 HD23 LEU 29 6.899 -0.191 2.613 229 H ASN 30 H ASN 30 9.872 3.004 5.497 230 HA ASN 30 HA ASN 30 8.336 5.081 6.434 231 HB2 ASN 30 HB2 ASN 30 9.516 3.668 7.972 232 HB3 ASN 30 HB1 ASN 30 11.070 4.152 7.317 233 HD21 ASN 30 HD21 ASN 30 12.054 5.975 8.105 234 HD22 ASN 30 HD22 ASN 30 11.406 6.913 9.390 235 H HIS 31 H HIS 31 11.303 5.261 4.603 236 HA HIS 31 HA HIS 31 11.801 8.031 5.160 237 HB2 HIS 31 HB2 HIS 31 13.529 6.346 4.225 238 HB3 HIS 31 HB1 HIS 31 12.716 6.593 2.675 239 HD1 HIS 31 HD1 HIS 31 15.571 7.781 4.382 240 HD2 HIS 31 HD2 HIS 31 12.583 9.598 2.148 241 HE1 HIS 31 HE1 HIS 31 16.482 10.000 3.671 242 H CYS 32 H CYS 32 10.564 6.331 2.286 243 HA CYS 32 HA CYS 32 9.780 8.503 0.755 244 HB2 CYS 32 HB2 CYS 32 9.292 5.645 0.795 245 HB3 CYS 32 HB1 CYS 32 7.867 6.528 0.233 246 H GLN 33 H GLN 33 7.813 6.537 2.971 247 HA GLN 33 HA GLN 33 5.455 7.781 2.923 248 HB2 GLN 33 HB2 GLN 33 5.746 5.832 4.122 249 HB3 GLN 33 HB1 GLN 33 7.041 6.515 5.097 250 HG2 GLN 33 HG2 GLN 33 5.469 8.058 6.042 251 HG3 GLN 33 HG1 GLN 33 4.127 7.248 5.232 252 HE21 GLN 33 HE21 GLN 33 3.142 6.572 7.168 253 HE22 GLN 33 HE22 GLN 33 3.847 5.387 8.206 254 H MET 34 H MET 34 8.165 8.638 5.133 255 HA MET 34 HA MET 34 6.622 10.789 6.185 256 HB2 MET 34 HB2 MET 34 8.589 11.505 7.457 257 HB3 MET 34 HB1 MET 34 8.207 9.796 7.676 258 HG2 MET 34 HG2 MET 34 10.069 9.178 6.291 259 HG3 MET 34 HG1 MET 34 10.355 10.869 5.885 260 HE1 MET 34 HE1 MET 34 9.312 9.799 9.517 261 HE2 MET 34 HE2 MET 34 10.860 9.338 10.223 262 HE3 MET 34 HE3 MET 34 10.148 8.356 8.944 263 H HIS 35 H HIS 35 9.273 10.670 3.911 264 HA HIS 35 HA HIS 35 9.383 13.489 3.753 265 HB2 HIS 35 HB2 HIS 35 10.660 11.340 2.157 266 HB3 HIS 35 HB1 HIS 35 10.683 12.982 1.525 267 HD1 HIS 35 HD1 HIS 35 12.459 14.556 2.519 268 HD2 HIS 35 HD2 HIS 35 11.952 11.058 4.711 269 HE1 HIS 35 HE1 HIS 35 14.264 14.549 4.242 270 H LEU 36 H LEU 36 7.322 11.260 2.155 271 HA LEU 36 HA LEU 36 6.523 13.234 0.239 272 HB2 LEU 36 HB2 LEU 36 5.200 10.650 1.032 273 HB3 LEU 36 HB1 LEU 36 4.634 11.719 -0.247 274 HG LEU 36 HG LEU 36 7.248 10.196 -0.181 275 HD11 LEU 36 HD11 LEU 36 6.328 8.937 -2.045 276 HD12 LEU 36 HD12 LEU 36 4.812 9.823 -1.893 277 HD13 LEU 36 HD13 LEU 36 5.350 8.764 -0.589 278 HD21 LEU 36 HD21 LEU 36 7.566 12.311 -1.340 279 HD22 LEU 36 HD22 LEU 36 6.135 12.008 -2.323 280 HD23 LEU 36 HD23 LEU 36 7.558 10.982 -2.497 281 H THR 37 H THR 37 5.368 12.162 3.464 282 HA THR 37 HA THR 37 3.084 13.876 3.138 283 HB THR 37 HB THR 37 2.615 13.301 5.482 284 HG1 THR 37 HG1 THR 37 4.493 12.868 6.499 285 HG21 THR 37 HG21 THR 37 3.337 10.992 3.703 286 HG22 THR 37 HG22 THR 37 1.805 11.870 3.676 287 HG23 THR 37 HG23 THR 37 2.241 10.898 5.079 288 H SER 38 H SER 38 6.253 14.235 4.223 289 HA SER 38 HA SER 38 5.598 16.586 5.779 290 HB2 SER 38 HB2 SER 38 7.989 16.659 6.419 291 HB3 SER 38 HB1 SER 38 7.215 15.123 6.807 292 HG SER 38 HG SER 38 8.183 14.177 5.173 293 H PHE 39 H PHE 39 6.206 18.593 5.359 294 HA PHE 39 HA PHE 39 7.663 19.067 2.897 295 HB2 PHE 39 HB2 PHE 39 5.462 20.763 4.145 296 HB3 PHE 39 HB1 PHE 39 6.456 21.268 2.783 297 HD1 PHE 39 HD1 PHE 39 6.263 20.076 0.615 298 HD2 PHE 39 HD2 PHE 39 3.595 19.331 3.846 299 HE1 PHE 39 HE1 PHE 39 4.684 19.007 -0.939 300 HE2 PHE 39 HE2 PHE 39 2.015 18.262 2.292 301 HZ PHE 39 HZ PHE 39 2.563 18.103 -0.102 302 H ASP 40 H ASP 40 9.589 20.102 3.315 303 HA ASP 40 HA ASP 40 10.092 20.416 6.098 304 HB2 ASP 40 HB2 ASP 40 11.672 19.386 4.351 305 HB3 ASP 40 HB1 ASP 40 12.049 21.029 3.877 306 H TYR 41 H TYR 41 11.339 22.359 6.717 307 HA TYR 41 HA TYR 41 9.406 24.499 6.236 308 HB2 TYR 41 HB2 TYR 41 10.060 25.289 8.483 309 HB3 TYR 41 HB1 TYR 41 9.539 23.595 8.362 310 HD1 TYR 41 HD1 TYR 41 12.563 25.693 8.712 311 HD2 TYR 41 HD2 TYR 41 10.872 21.821 9.095 312 HE1 TYR 41 HE1 TYR 41 14.613 24.916 9.777 313 HE2 TYR 41 HE2 TYR 41 12.925 21.029 10.176 314 HH TYR 41 HH TYR 41 15.299 23.178 11.272 315 H LYS 42 H LYS 42 12.848 23.854 6.138 316 HA LYS 42 HA LYS 42 13.299 26.697 5.841 317 HB2 LYS 42 HB2 LYS 42 15.590 26.365 6.184 318 HB3 LYS 42 HB1 LYS 42 14.757 25.192 7.198 319 HG2 LYS 42 HG2 LYS 42 15.927 24.477 4.526 320 HG3 LYS 42 HG1 LYS 42 16.860 24.397 6.020 321 HD2 LYS 42 HD2 LYS 42 15.074 22.833 6.882 322 HD3 LYS 42 HD1 LYS 42 14.405 22.853 5.249 323 HE2 LYS 42 HE2 LYS 42 16.372 21.905 4.322 324 HE3 LYS 42 HE1 LYS 42 17.264 22.130 5.822 325 HZ1 LYS 42 HZ1 LYS 42 16.544 19.821 5.442 326 HZ2 LYS 42 HZ2 LYS 42 14.917 20.280 5.612 327 HZ3 LYS 42 HZ3 LYS 42 15.980 20.462 6.873 328 H LEU 43 H LEU 43 12.197 24.597 3.880 329 HA LEU 43 HA LEU 43 13.732 24.940 1.521 330 HB2 LEU 43 HB2 LEU 43 10.799 24.302 1.764 331 HB3 LEU 43 HB1 LEU 43 11.803 24.041 0.353 332 HG LEU 43 HG LEU 43 12.165 22.686 2.987 333 HD11 LEU 43 HD11 LEU 43 11.261 20.693 1.816 334 HD12 LEU 43 HD12 LEU 43 10.823 21.741 0.453 335 HD13 LEU 43 HD13 LEU 43 10.104 21.991 2.056 336 HD21 LEU 43 HD21 LEU 43 13.591 21.145 1.712 337 HD22 LEU 43 HD22 LEU 43 14.217 22.791 1.767 338 HD23 LEU 43 HD23 LEU 43 13.430 22.193 0.299 339 H ARG 44 H ARG 44 14.038 27.218 1.538 340 HA ARG 44 HA ARG 44 11.671 28.737 0.634 341 HB2 ARG 44 HB2 ARG 44 14.061 29.846 2.130 342 HB3 ARG 44 HB1 ARG 44 12.682 30.772 1.563 343 HG2 ARG 44 HG2 ARG 44 11.210 29.530 3.065 344 HG3 ARG 44 HG1 ARG 44 12.583 28.580 3.628 345 HD2 ARG 44 HD2 ARG 44 12.109 30.318 5.226 346 HD3 ARG 44 HD1 ARG 44 13.641 30.667 4.432 347 HE ARG 44 HE ARG 44 11.510 31.961 3.103 348 HH11 ARG 44 HH11 ARG 44 13.462 32.207 6.066 349 HH12 ARG 44 HH12 ARG 44 13.270 33.885 6.200 350 HH21 ARG 44 HH21 ARG 44 11.188 34.253 3.370 351 HH22 ARG 44 HH22 ARG 44 11.901 35.057 4.696 352 H MET 45 H MET 45 14.871 27.770 0.038 353 HA MET 45 HA MET 45 14.884 29.294 -2.472 354 HB2 MET 45 HB2 MET 45 17.187 28.161 -0.866 355 HB3 MET 45 HB1 MET 45 17.343 29.014 -2.392 356 HG2 MET 45 HG2 MET 45 16.224 30.166 0.137 357 HG3 MET 45 HG1 MET 45 17.887 30.419 -0.422 358 HE1 MET 45 HE1 MET 45 17.188 30.698 -3.659 359 HE2 MET 45 HE2 MET 45 18.383 31.679 -2.813 360 HE3 MET 45 HE3 MET 45 17.128 32.458 -3.775 361 H ALA 46 H ALA 46 13.782 26.673 -1.447 362 HA ALA 46 HA ALA 46 14.795 24.959 -3.597 363 HB1 ALA 46 HB1 ALA 46 14.303 24.090 -0.765 364 HB2 ALA 46 HB2 ALA 46 15.885 24.244 -1.540 365 HB3 ALA 46 HB3 ALA 46 14.731 23.032 -2.109 366 H VAL 47 H VAL 47 12.422 26.628 -3.256 367 HA VAL 47 HA VAL 47 10.107 25.219 -2.479 368 HB VAL 47 HB VAL 47 10.361 27.316 -4.650 369 HG11 VAL 47 HG11 VAL 47 8.199 26.208 -4.746 370 HG12 VAL 47 HG12 VAL 47 7.991 27.847 -4.122 371 HG13 VAL 47 HG13 VAL 47 7.958 26.472 -3.019 372 HG21 VAL 47 HG21 VAL 47 9.841 27.670 -1.701 373 HG22 VAL 47 HG22 VAL 47 9.775 28.951 -2.908 374 HG23 VAL 47 HG23 VAL 47 11.302 28.136 -2.573 375 H GLU 48 H GLU 48 11.594 25.612 -5.657 376 HA GLU 48 HA GLU 48 10.743 22.911 -6.276 377 HB2 GLU 48 HB2 GLU 48 10.688 25.250 -8.214 378 HB3 GLU 48 HB1 GLU 48 10.535 23.570 -8.696 379 HG2 GLU 48 HG2 GLU 48 8.499 23.428 -7.253 380 HG3 GLU 48 HG1 GLU 48 8.623 25.169 -7.017 381 H ASN 49 H ASN 49 12.574 21.909 -6.078 382 HA ASN 49 HA ASN 49 14.966 22.924 -7.444 383 HB2 ASN 49 HB2 ASN 49 14.641 22.550 -4.523 384 HB3 ASN 49 HB1 ASN 49 16.104 21.880 -5.217 385 HD21 ASN 49 HD21 ASN 49 14.612 24.809 -6.486 386 HD22 ASN 49 HD22 ASN 49 15.826 25.871 -5.900 387 HA PRO 50 HA PRO 50 15.367 18.662 -8.586 388 HB2 PRO 50 HB2 PRO 50 18.050 18.445 -8.898 389 HB3 PRO 50 HB1 PRO 50 17.047 19.354 -10.034 390 HG2 PRO 50 HG2 PRO 50 18.667 20.380 -7.721 391 HG3 PRO 50 HG1 PRO 50 18.608 20.991 -9.384 392 HD2 PRO 50 HD2 PRO 50 17.218 22.153 -7.420 393 HD3 PRO 50 HD1 PRO 50 16.540 22.011 -9.054 394 H LYS 51 H LYS 51 16.845 19.981 -5.854 395 HA LYS 51 HA LYS 51 18.112 17.741 -4.688 396 HB2 LYS 51 HB2 LYS 51 16.886 20.084 -3.333 397 HB3 LYS 51 HB1 LYS 51 18.105 19.011 -2.655 398 HG2 LYS 51 HG2 LYS 51 19.641 19.773 -4.478 399 HG3 LYS 51 HG1 LYS 51 18.424 20.977 -4.911 400 HD2 LYS 51 HD2 LYS 51 19.867 20.697 -2.290 401 HD3 LYS 51 HD1 LYS 51 20.028 22.000 -3.480 402 HE2 LYS 51 HE2 LYS 51 17.712 22.646 -3.089 403 HE3 LYS 51 HE1 LYS 51 17.548 21.301 -1.964 404 HZ1 LYS 51 HZ1 LYS 51 19.397 23.598 -1.581 405 HZ2 LYS 51 HZ2 LYS 51 19.129 22.355 -0.471 406 HZ3 LYS 51 HZ3 LYS 51 17.911 23.452 -0.844 407 H GLN 52 H GLN 52 14.858 18.594 -5.056 408 HA GLN 52 HA GLN 52 13.790 17.419 -2.733 409 HB2 GLN 52 HB2 GLN 52 12.548 18.119 -5.368 410 HB3 GLN 52 HB1 GLN 52 11.631 17.374 -4.064 411 HG2 GLN 52 HG2 GLN 52 12.165 19.226 -2.599 412 HG3 GLN 52 HG1 GLN 52 13.144 19.954 -3.876 413 HE21 GLN 52 HE21 GLN 52 11.784 21.835 -3.663 414 HE22 GLN 52 HE22 GLN 52 10.235 21.861 -4.385 415 H GLN 53 H GLN 53 14.890 15.988 -5.670 416 HA GLN 53 HA GLN 53 13.348 13.570 -5.248 417 HB2 GLN 53 HB2 GLN 53 14.478 12.637 -7.186 418 HB3 GLN 53 HB1 GLN 53 13.917 14.259 -7.548 419 HG2 GLN 53 HG2 GLN 53 16.201 15.098 -7.177 420 HG3 GLN 53 HG1 GLN 53 16.729 13.443 -6.883 421 HE21 GLN 53 HE21 GLN 53 15.585 15.685 -9.229 422 HE22 GLN 53 HE22 GLN 53 16.063 14.800 -10.630 423 H GLN 54 H GLN 54 15.648 14.721 -3.495 424 HA GLN 54 HA GLN 54 17.745 12.966 -3.129 425 HB2 GLN 54 HB2 GLN 54 17.730 13.720 -0.764 426 HB3 GLN 54 HB1 GLN 54 17.601 15.047 -1.907 427 HG2 GLN 54 HG2 GLN 54 15.208 15.212 -1.482 428 HG3 GLN 54 HG1 GLN 54 15.262 13.829 -0.425 429 HE21 GLN 54 HE21 GLN 54 14.395 16.520 0.190 430 HE22 GLN 54 HE22 GLN 54 15.396 17.058 1.489 431 H HIS 55 H HIS 55 14.521 12.792 -1.832 432 HA HIS 55 HA HIS 55 15.026 10.497 -0.269 433 HB2 HIS 55 HB2 HIS 55 12.491 10.537 0.060 434 HB3 HIS 55 HB1 HIS 55 13.400 11.918 0.647 435 HD1 HIS 55 HD1 HIS 55 11.891 13.937 0.318 436 HD2 HIS 55 HD2 HIS 55 11.855 11.353 -2.911 437 HE1 HIS 55 HE1 HIS 55 10.326 14.942 -1.320 438 H LEU 56 H LEU 56 14.224 10.980 -3.503 439 HA LEU 56 HA LEU 56 13.003 8.372 -3.838 440 HB2 LEU 56 HB2 LEU 56 12.229 10.223 -5.277 441 HB3 LEU 56 HB1 LEU 56 13.849 10.460 -5.876 442 HG LEU 56 HG LEU 56 12.178 9.328 -7.444 443 HD11 LEU 56 HD11 LEU 56 14.741 7.847 -6.904 444 HD12 LEU 56 HD12 LEU 56 14.556 9.266 -7.932 445 HD13 LEU 56 HD13 LEU 56 13.781 7.746 -8.378 446 HD21 LEU 56 HD21 LEU 56 11.838 6.927 -7.176 447 HD22 LEU 56 HD22 LEU 56 11.147 7.834 -5.826 448 HD23 LEU 56 HD23 LEU 56 12.678 6.983 -5.627 449 H SER 57 H SER 57 16.034 9.996 -4.528 450 HA SER 57 HA SER 57 17.349 7.867 -5.710 451 HB2 SER 57 HB2 SER 57 18.510 10.036 -3.952 452 HB3 SER 57 HB1 SER 57 19.371 9.112 -5.188 453 HG SER 57 HG SER 57 17.996 11.352 -5.499 454 H LEU 58 H LEU 58 16.638 8.513 -2.375 455 HA LEU 58 HA LEU 58 18.281 6.298 -1.434 456 HB2 LEU 58 HB2 LEU 58 16.244 7.864 0.150 457 HB3 LEU 58 HB1 LEU 58 17.572 6.899 0.745 458 HG LEU 58 HG LEU 58 17.902 9.430 -0.848 459 HD11 LEU 58 HD11 LEU 58 17.030 9.899 1.371 460 HD12 LEU 58 HD12 LEU 58 18.712 10.419 1.255 461 HD13 LEU 58 HD13 LEU 58 18.304 8.926 2.101 462 HD21 LEU 58 HD21 LEU 58 19.951 7.697 0.543 463 HD22 LEU 58 HD22 LEU 58 20.278 9.265 -0.190 464 HD23 LEU 58 HD23 LEU 58 19.761 7.916 -1.198 465 H CYS 59 H CYS 59 14.819 7.051 -1.574 466 HA CYS 59 HA CYS 59 13.842 4.664 -0.502 467 HB2 CYS 59 HB2 CYS 59 12.612 6.782 -0.796 468 HB3 CYS 59 HB1 CYS 59 12.538 6.470 -2.519 469 H CYS 60 H CYS 60 14.298 5.554 -3.974 470 HA CYS 60 HA CYS 60 13.330 3.187 -5.086 471 HB2 CYS 60 HB2 CYS 60 13.746 5.176 -6.445 472 HB3 CYS 60 HB1 CYS 60 15.462 5.095 -6.097 473 H ASN 61 H ASN 61 16.381 3.992 -3.715 474 HA ASN 61 HA ASN 61 17.792 1.694 -4.704 475 HB2 ASN 61 HB2 ASN 61 18.779 3.761 -4.290 476 HB3 ASN 61 HB1 ASN 61 18.473 3.695 -2.554 477 HD21 ASN 61 HD21 ASN 61 19.709 1.203 -4.808 478 HD22 ASN 61 HD22 ASN 61 21.188 0.952 -3.973 479 H GLN 62 H GLN 62 15.935 2.483 -1.926 480 HA GLN 62 HA GLN 62 16.811 0.181 -0.467 481 HB2 GLN 62 HB2 GLN 62 16.296 2.235 0.764 482 HB3 GLN 62 HB1 GLN 62 14.673 2.234 0.117 483 HG2 GLN 62 HG2 GLN 62 14.717 1.516 2.449 484 HG3 GLN 62 HG1 GLN 62 14.115 0.255 1.379 485 HE21 GLN 62 HE21 GLN 62 16.736 1.256 3.436 486 HE22 GLN 62 HE22 GLN 62 17.503 -0.293 3.496 487 H LEU 63 H LEU 63 13.883 1.201 -2.162 488 HA LEU 63 HA LEU 63 12.369 -1.086 -1.504 489 HB2 LEU 63 HB2 LEU 63 10.766 -0.291 -3.120 490 HB3 LEU 63 HB1 LEU 63 11.429 1.111 -2.324 491 HG LEU 63 HG LEU 63 13.024 1.133 -4.393 492 HD11 LEU 63 HD11 LEU 63 12.166 -0.889 -5.356 493 HD12 LEU 63 HD12 LEU 63 11.899 0.508 -6.405 494 HD13 LEU 63 HD13 LEU 63 10.557 -0.174 -5.470 495 HD21 LEU 63 HD21 LEU 63 10.209 2.133 -4.253 496 HD22 LEU 63 HD22 LEU 63 11.391 2.619 -5.478 497 HD23 LEU 63 HD23 LEU 63 11.698 2.959 -3.768 498 H GLN 64 H GLN 64 14.634 -0.385 -4.015 499 HA GLN 64 HA GLN 64 14.023 -2.595 -5.681 500 HB2 GLN 64 HB2 GLN 64 15.928 -1.981 -6.980 501 HB3 GLN 64 HB1 GLN 64 15.208 -0.496 -6.351 502 HG2 GLN 64 HG2 GLN 64 16.812 -0.301 -4.697 503 HG3 GLN 64 HG1 GLN 64 17.576 -1.839 -5.137 504 HE21 GLN 64 HE21 GLN 64 17.085 -1.195 -8.040 505 HE22 GLN 64 HE22 GLN 64 18.309 -0.063 -8.446 506 H GLU 65 H GLU 65 15.537 -2.462 -2.699 507 HA GLU 65 HA GLU 65 17.250 -4.694 -3.096 508 HB2 GLU 65 HB2 GLU 65 16.324 -3.246 -0.631 509 HB3 GLU 65 HB1 GLU 65 17.268 -4.726 -0.522 510 HG2 GLU 65 HG2 GLU 65 18.108 -2.216 -1.937 511 HG3 GLU 65 HG1 GLU 65 18.658 -2.740 -0.342 512 H VAL 66 H VAL 66 14.003 -4.165 -2.596 513 HA VAL 66 HA VAL 66 13.381 -6.800 -1.555 514 HB VAL 66 HB VAL 66 11.458 -4.836 -2.852 515 HG11 VAL 66 HG11 VAL 66 10.976 -6.915 -0.731 516 HG12 VAL 66 HG12 VAL 66 10.572 -7.061 -2.438 517 HG13 VAL 66 HG13 VAL 66 9.763 -5.845 -1.444 518 HG21 VAL 66 HG21 VAL 66 12.325 -4.860 0.031 519 HG22 VAL 66 HG22 VAL 66 10.994 -3.908 -0.644 520 HG23 VAL 66 HG23 VAL 66 12.643 -3.604 -1.171 521 H GLU 67 H GLU 67 12.054 -8.285 -2.911 522 HA GLU 67 HA GLU 67 13.106 -9.034 -5.336 523 HB2 GLU 67 HB2 GLU 67 10.393 -9.404 -4.140 524 HB3 GLU 67 HB1 GLU 67 10.837 -10.163 -5.663 525 HG2 GLU 67 HG2 GLU 67 12.552 -11.347 -4.672 526 HG3 GLU 67 HG1 GLU 67 12.401 -10.482 -3.136 527 H LYS 68 H LYS 68 12.605 -8.699 -7.475 528 HA LYS 68 HA LYS 68 12.025 -6.063 -8.175 529 HB2 LYS 68 HB2 LYS 68 12.121 -6.731 -10.473 530 HB3 LYS 68 HB1 LYS 68 13.405 -7.532 -9.572 531 HG2 LYS 68 HG2 LYS 68 11.895 -9.530 -9.495 532 HG3 LYS 68 HG1 LYS 68 10.852 -8.705 -10.661 533 HD2 LYS 68 HD2 LYS 68 12.251 -10.098 -11.945 534 HD3 LYS 68 HD1 LYS 68 12.970 -8.481 -12.049 535 HE2 LYS 68 HE2 LYS 68 14.605 -9.036 -10.366 536 HE3 LYS 68 HE1 LYS 68 13.843 -10.600 -10.092 537 HZ1 LYS 68 HZ1 LYS 68 15.205 -9.724 -12.573 538 HZ2 LYS 68 HZ2 LYS 68 14.415 -11.200 -12.372 539 HZ3 LYS 68 HZ3 LYS 68 15.775 -10.842 -11.447 540 H GLN 69 H GLN 69 9.901 -8.799 -7.994 541 HA GLN 69 HA GLN 69 7.749 -7.490 -9.386 542 HB2 GLN 69 HB2 GLN 69 6.370 -9.401 -8.711 543 HB3 GLN 69 HB1 GLN 69 7.916 -9.955 -9.335 544 HG2 GLN 69 HG2 GLN 69 8.721 -10.316 -7.047 545 HG3 GLN 69 HG1 GLN 69 7.210 -9.693 -6.420 546 HE21 GLN 69 HE21 GLN 69 8.775 -12.391 -7.909 547 HE22 GLN 69 HE22 GLN 69 7.489 -13.512 -7.642 548 H CYS 70 H CYS 70 8.984 -7.476 -6.225 549 HA CYS 70 HA CYS 70 6.458 -6.688 -5.007 550 HB2 CYS 70 HB2 CYS 70 9.082 -7.485 -3.787 551 HB3 CYS 70 HB1 CYS 70 7.613 -7.132 -2.879 552 H GLN 71 H GLN 71 9.319 -5.384 -6.183 553 HA GLN 71 HA GLN 71 9.834 -3.178 -4.566 554 HB2 GLN 71 HB2 GLN 71 10.117 -3.580 -7.526 555 HB3 GLN 71 HB1 GLN 71 10.683 -2.143 -6.674 556 HG2 GLN 71 HG2 GLN 71 12.148 -3.455 -5.322 557 HG3 GLN 71 HG1 GLN 71 11.524 -4.941 -6.023 558 HE21 GLN 71 HE21 GLN 71 13.595 -5.482 -6.611 559 HE22 GLN 71 HE22 GLN 71 14.369 -4.786 -7.999 560 H CYS 72 H CYS 72 7.446 -3.499 -7.177 561 HA CYS 72 HA CYS 72 6.680 -0.773 -6.725 562 HB2 CYS 72 HB2 CYS 72 4.926 -1.148 -8.410 563 HB3 CYS 72 HB1 CYS 72 6.579 -1.444 -8.931 564 H GLU 73 H GLU 73 5.724 -3.846 -5.625 565 HA GLU 73 HA GLU 73 3.140 -3.227 -4.863 566 HB2 GLU 73 HB2 GLU 73 5.154 -5.095 -3.624 567 HB3 GLU 73 HB1 GLU 73 3.447 -5.130 -3.216 568 HG2 GLU 73 HG2 GLU 73 4.499 -5.608 -6.005 569 HG3 GLU 73 HG1 GLU 73 4.381 -6.904 -4.833 570 H ALA 74 H ALA 74 6.367 -2.812 -3.413 571 HA ALA 74 HA ALA 74 5.833 -2.046 -0.846 572 HB1 ALA 74 HB1 ALA 74 8.034 -1.033 -2.641 573 HB2 ALA 74 HB2 ALA 74 8.061 -2.572 -1.804 574 HB3 ALA 74 HB3 ALA 74 8.051 -1.072 -0.877 575 H ILE 75 H ILE 75 5.600 -0.309 -3.832 576 HA ILE 75 HA ILE 75 5.689 2.332 -2.790 577 HB ILE 75 HB ILE 75 4.377 1.472 -5.366 578 HG12 ILE 75 HG12 ILE 75 6.597 0.540 -5.324 579 HG13 ILE 75 HG11 ILE 75 6.569 1.904 -6.443 580 HG21 ILE 75 HG21 ILE 75 4.960 3.727 -6.094 581 HG22 ILE 75 HG22 ILE 75 5.666 4.048 -4.514 582 HG23 ILE 75 HG23 ILE 75 3.935 3.750 -4.661 583 HD11 ILE 75 HD11 ILE 75 7.604 3.261 -4.619 584 HD12 ILE 75 HD12 ILE 75 8.567 1.917 -5.244 585 HD13 ILE 75 HD13 ILE 75 7.737 1.747 -3.692 586 H LYS 76 H LYS 76 3.205 -0.039 -3.300 587 HA LYS 76 HA LYS 76 0.981 1.742 -3.177 588 HB2 LYS 76 HB2 LYS 76 1.114 -1.201 -2.510 589 HB3 LYS 76 HB1 LYS 76 -0.332 -0.297 -2.933 590 HG2 LYS 76 HG2 LYS 76 2.000 -0.879 -4.760 591 HG3 LYS 76 HG1 LYS 76 0.433 -1.676 -4.799 592 HD2 LYS 76 HD2 LYS 76 0.876 1.277 -5.263 593 HD3 LYS 76 HD1 LYS 76 0.716 0.078 -6.539 594 HE2 LYS 76 HE2 LYS 76 -1.387 0.701 -4.455 595 HE3 LYS 76 HE1 LYS 76 -1.381 1.304 -6.108 596 HZ1 LYS 76 HZ1 LYS 76 -1.571 -0.960 -6.913 597 HZ2 LYS 76 HZ2 LYS 76 -2.816 -0.598 -5.864 598 HZ3 LYS 76 HZ3 LYS 76 -1.554 -1.575 -5.342 599 H GLN 77 H GLN 77 2.802 -0.269 -1.071 600 HA GLN 77 HA GLN 77 1.328 0.001 1.292 601 HB2 GLN 77 HB2 GLN 77 4.306 -0.231 1.250 602 HB3 GLN 77 HB1 GLN 77 3.187 -0.834 2.453 603 HG2 GLN 77 HG2 GLN 77 2.346 -2.340 0.393 604 HG3 GLN 77 HG1 GLN 77 3.910 -1.918 -0.191 605 HE21 GLN 77 HE21 GLN 77 5.203 -1.718 2.327 606 HE22 GLN 77 HE22 GLN 77 5.416 -3.334 2.911 607 H VAL 78 H VAL 78 3.923 1.959 -0.098 608 HA VAL 78 HA VAL 78 4.467 3.688 2.012 609 HB VAL 78 HB VAL 78 4.260 4.646 -0.858 610 HG11 VAL 78 HG11 VAL 78 4.480 6.389 0.770 611 HG12 VAL 78 HG12 VAL 78 5.910 6.271 -0.251 612 HG13 VAL 78 HG13 VAL 78 5.944 5.636 1.403 613 HG21 VAL 78 HG21 VAL 78 6.666 3.444 0.464 614 HG22 VAL 78 HG22 VAL 78 6.564 4.046 -1.193 615 HG23 VAL 78 HG23 VAL 78 5.650 2.613 -0.703 616 H VAL 79 H VAL 79 1.989 3.822 -0.493 617 HA VAL 79 HA VAL 79 1.007 6.393 0.144 618 HB VAL 79 HB VAL 79 -0.546 4.129 -1.115 619 HG11 VAL 79 HG11 VAL 79 -0.872 7.115 -1.341 620 HG12 VAL 79 HG12 VAL 79 -1.897 6.021 -0.423 621 HG13 VAL 79 HG13 VAL 79 -1.843 5.905 -2.189 622 HG21 VAL 79 HG21 VAL 79 1.269 6.139 -2.457 623 HG22 VAL 79 HG22 VAL 79 0.190 5.021 -3.296 624 HG23 VAL 79 HG23 VAL 79 1.526 4.395 -2.332 625 H GLU 80 H GLU 80 0.053 3.145 1.003 626 HA GLU 80 HA GLU 80 -2.275 3.657 2.427 627 HB2 GLU 80 HB2 GLU 80 -0.237 1.516 2.960 628 HB3 GLU 80 HB1 GLU 80 -1.907 1.510 3.495 629 HG2 GLU 80 HG2 GLU 80 -2.608 1.452 1.127 630 HG3 GLU 80 HG1 GLU 80 -0.907 1.336 0.668 631 H GLN 81 H GLN 81 1.048 3.311 3.638 632 HA GLN 81 HA GLN 81 0.258 3.852 6.322 633 HB2 GLN 81 HB2 GLN 81 2.685 3.843 6.838 634 HB3 GLN 81 HB1 GLN 81 2.152 2.400 5.994 635 HG2 GLN 81 HG2 GLN 81 3.030 3.437 3.872 636 HG3 GLN 81 HG1 GLN 81 3.645 4.739 4.862 637 HE21 GLN 81 HE21 GLN 81 4.494 3.074 7.082 638 HE22 GLN 81 HE22 GLN 81 5.892 2.244 6.492 639 H ALA 82 H ALA 82 1.512 5.792 3.711 640 HA ALA 82 HA ALA 82 2.198 7.999 5.335 641 HB1 ALA 82 HB1 ALA 82 1.596 7.917 2.380 642 HB2 ALA 82 HB2 ALA 82 3.180 7.674 3.119 643 HB3 ALA 82 HB3 ALA 82 2.381 9.244 3.234 644 H GLN 83 H GLN 83 -0.704 7.090 3.557 645 HA GLN 83 HA GLN 83 -1.937 9.587 4.090 646 HB2 GLN 83 HB2 GLN 83 -4.000 8.651 3.200 647 HB3 GLN 83 HB1 GLN 83 -2.654 8.264 2.148 648 HG2 GLN 83 HG2 GLN 83 -2.613 5.997 3.036 649 HG3 GLN 83 HG1 GLN 83 -3.946 6.401 4.118 650 HE21 GLN 83 HE21 GLN 83 -5.989 6.725 3.255 651 HE22 GLN 83 HE22 GLN 83 -6.411 6.173 1.687 652 H LYS 84 H LYS 84 -1.995 6.440 5.642 653 HA LYS 84 HA LYS 84 -4.099 7.094 7.422 654 HB2 LYS 84 HB2 LYS 84 -3.578 5.039 8.617 655 HB3 LYS 84 HB1 LYS 84 -3.530 4.756 6.895 656 HG2 LYS 84 HG2 LYS 84 -1.676 3.567 7.587 657 HG3 LYS 84 HG1 LYS 84 -0.983 5.139 7.177 658 HD2 LYS 84 HD2 LYS 84 -0.011 4.463 9.244 659 HD3 LYS 84 HD1 LYS 84 -1.168 5.777 9.525 660 HE2 LYS 84 HE2 LYS 84 -2.839 4.213 10.318 661 HE3 LYS 84 HE1 LYS 84 -1.800 2.852 9.928 662 HZ1 LYS 84 HZ1 LYS 84 -1.137 4.920 11.960 663 HZ2 LYS 84 HZ2 LYS 84 -0.296 3.481 11.673 664 HZ3 LYS 84 HZ3 LYS 84 -1.856 3.453 12.295 665 H GLN 85 H GLN 85 -0.715 7.733 7.520 666 HA GLN 85 HA GLN 85 -0.776 8.275 10.318 667 HB2 GLN 85 HB2 GLN 85 1.520 8.697 10.180 668 HB3 GLN 85 HB1 GLN 85 1.210 7.559 8.867 669 HG2 GLN 85 HG2 GLN 85 1.297 9.313 7.247 670 HG3 GLN 85 HG1 GLN 85 1.475 10.518 8.521 671 HE21 GLN 85 HE21 GLN 85 3.253 10.053 6.340 672 HE22 GLN 85 HE22 GLN 85 4.766 9.626 7.015 673 H LEU 86 H LEU 86 -1.271 10.134 7.444 674 HA LEU 86 HA LEU 86 -1.283 12.636 8.923 675 HB2 LEU 86 HB2 LEU 86 -1.313 11.871 6.087 676 HB3 LEU 86 HB1 LEU 86 -2.230 13.310 6.437 677 HG LEU 86 HG LEU 86 0.111 13.714 5.684 678 HD11 LEU 86 HD11 LEU 86 0.550 15.454 7.295 679 HD12 LEU 86 HD12 LEU 86 -0.496 14.661 8.472 680 HD13 LEU 86 HD13 LEU 86 -1.191 15.351 7.005 681 HD21 LEU 86 HD21 LEU 86 1.229 11.882 6.823 682 HD22 LEU 86 HD22 LEU 86 0.769 12.549 8.384 683 HD23 LEU 86 HD23 LEU 86 1.900 13.424 7.359 684 H GLN 87 H GLN 87 -3.585 10.527 7.379 685 HA GLN 87 HA GLN 87 -5.913 12.033 7.493 686 HB2 GLN 87 HB2 GLN 87 -5.657 10.021 6.194 687 HB3 GLN 87 HB1 GLN 87 -5.429 9.070 7.643 688 HG2 GLN 87 HG2 GLN 87 -7.756 9.524 8.275 689 HG3 GLN 87 HG1 GLN 87 -7.968 10.433 6.779 690 HE21 GLN 87 HE21 GLN 87 -9.542 9.009 6.060 691 HE22 GLN 87 HE22 GLN 87 -9.150 7.443 5.451 692 H GLN 88 H GLN 88 -4.319 10.186 9.988 693 HA GLN 88 HA GLN 88 -6.598 9.870 11.676 694 HB2 GLN 88 HB2 GLN 88 -5.036 8.977 13.296 695 HB3 GLN 88 HB1 GLN 88 -4.768 8.334 11.675 696 HG2 GLN 88 HG2 GLN 88 -2.890 9.808 11.354 697 HG3 GLN 88 HG1 GLN 88 -3.160 10.525 12.940 698 HE21 GLN 88 HE21 GLN 88 -2.207 7.697 11.243 699 HE22 GLN 88 HE22 GLN 88 -1.334 6.972 12.552 700 H GLY 89 H GLY 89 -4.675 12.560 11.138 701 HA2 GLY 89 HA2 GLY 89 -5.863 13.814 13.491 702 HA3 GLY 89 HA1 GLY 89 -4.112 13.729 13.488 703 H GLN 90 H GLN 90 -3.079 14.638 11.565 704 HA GLN 90 HA GLN 90 -3.629 17.376 11.450 705 HB2 GLN 90 HB2 GLN 90 -1.935 15.645 9.695 706 HB3 GLN 90 HB1 GLN 90 -1.923 17.403 9.644 707 HG2 GLN 90 HG2 GLN 90 -1.043 17.516 11.859 708 HG3 GLN 90 HG1 GLN 90 -1.286 15.784 12.090 709 HE21 GLN 90 HE21 GLN 90 0.053 14.365 11.105 710 HE22 GLN 90 HE22 GLN 90 1.591 14.784 10.454 711 H GLY 91 H GLY 91 -4.355 14.832 9.099 712 HA2 GLY 91 HA2 GLY 91 -6.057 15.076 7.357 713 HA3 GLY 91 HA1 GLY 91 -5.813 16.828 7.497 714 H GLY 92 H GLY 92 -4.496 17.745 6.040 715 HA2 GLY 92 HA2 GLY 92 -2.509 18.020 4.968 716 HA3 GLY 92 HA1 GLY 92 -1.992 16.496 5.615 717 H GLN 93 H GLN 93 -4.444 15.220 4.331 718 HA GLN 93 HA GLN 93 -2.986 14.235 2.171 719 HB2 GLN 93 HB2 GLN 93 -5.858 13.930 2.906 720 HB3 GLN 93 HB1 GLN 93 -5.169 13.104 1.498 721 HG2 GLN 93 HG2 GLN 93 -4.463 12.788 4.408 722 HG3 GLN 93 HG1 GLN 93 -5.162 11.582 3.326 723 HE21 GLN 93 HE21 GLN 93 -2.288 13.179 4.334 724 HE22 GLN 93 HE22 GLN 93 -1.182 12.175 3.457 725 H GLN 94 H GLN 94 -5.036 16.896 2.293 726 HA GLN 94 HA GLN 94 -5.350 17.178 -0.536 727 HB2 GLN 94 HB2 GLN 94 -6.128 19.455 0.020 728 HB3 GLN 94 HB1 GLN 94 -6.969 18.200 0.923 729 HG2 GLN 94 HG2 GLN 94 -5.618 18.658 2.867 730 HG3 GLN 94 HG1 GLN 94 -4.688 19.846 1.960 731 HE21 GLN 94 HE21 GLN 94 -6.290 20.202 4.378 732 HE22 GLN 94 HE22 GLN 94 -7.479 21.387 4.008 733 H GLN 95 H GLN 95 -3.019 18.400 1.835 734 HA GLN 95 HA GLN 95 -1.713 20.064 -0.148 735 HB2 GLN 95 HB2 GLN 95 -0.169 20.697 1.666 736 HB3 GLN 95 HB1 GLN 95 -1.870 20.857 2.188 737 HG2 GLN 95 HG2 GLN 95 -1.691 18.836 3.373 738 HG3 GLN 95 HG1 GLN 95 -0.029 18.612 2.857 739 HE21 GLN 95 HE21 GLN 95 -1.375 21.706 3.796 740 HE22 GLN 95 HE22 GLN 95 -0.439 21.892 5.216 741 H VAL 96 H VAL 96 -1.127 17.260 1.719 742 HA VAL 96 HA VAL 96 1.388 16.465 0.791 743 HB VAL 96 HB VAL 96 -0.877 14.810 2.001 744 HG11 VAL 96 HG11 VAL 96 0.802 13.148 2.553 745 HG12 VAL 96 HG12 VAL 96 1.975 14.000 1.522 746 HG13 VAL 96 HG13 VAL 96 0.524 13.289 0.820 747 HG21 VAL 96 HG21 VAL 96 -0.031 16.532 3.468 748 HG22 VAL 96 HG22 VAL 96 1.623 15.943 3.251 749 HG23 VAL 96 HG23 VAL 96 0.409 14.933 4.050 750 H GLN 97 H GLN 97 -1.732 16.312 -0.615 751 HA GLN 97 HA GLN 97 -1.767 14.157 -2.303 752 HB2 GLN 97 HB2 GLN 97 -3.600 15.744 -2.193 753 HB3 GLN 97 HB1 GLN 97 -2.622 16.965 -2.993 754 HG2 GLN 97 HG2 GLN 97 -2.526 15.617 -4.993 755 HG3 GLN 97 HG1 GLN 97 -3.460 14.346 -4.223 756 HE21 GLN 97 HE21 GLN 97 -4.041 15.889 -6.610 757 HE22 GLN 97 HE22 GLN 97 -5.562 16.650 -6.363 758 H GLN 98 H GLN 98 -0.118 17.221 -2.964 759 HA GLN 98 HA GLN 98 0.734 16.492 -5.582 760 HB2 GLN 98 HB2 GLN 98 2.075 18.524 -5.517 761 HB3 GLN 98 HB1 GLN 98 0.442 18.817 -4.942 762 HG2 GLN 98 HG2 GLN 98 1.256 18.724 -2.637 763 HG3 GLN 98 HG1 GLN 98 2.899 18.506 -3.236 764 HE21 GLN 98 HE21 GLN 98 1.770 20.641 -1.615 765 HE22 GLN 98 HE22 GLN 98 2.063 22.107 -2.473 766 H MET 99 H MET 99 1.923 15.652 -2.509 767 HA MET 99 HA MET 99 4.591 15.139 -3.596 768 HB2 MET 99 HB2 MET 99 3.851 16.214 -1.218 769 HB3 MET 99 HB1 MET 99 3.920 14.538 -0.793 770 HG2 MET 99 HG2 MET 99 6.028 15.476 -0.285 771 HG3 MET 99 HG1 MET 99 6.194 14.359 -1.646 772 HE1 MET 99 HE1 MET 99 8.880 17.106 -2.411 773 HE2 MET 99 HE2 MET 99 8.569 15.379 -2.239 774 HE3 MET 99 HE3 MET 99 8.419 16.442 -0.838 775 H VAL 100 H VAL 100 1.943 13.619 -1.896 776 HA VAL 100 HA VAL 100 3.074 11.041 -2.069 777 HB VAL 100 HB VAL 100 1.344 11.558 -0.394 778 HG11 VAL 100 HG11 VAL 100 -1.020 11.631 -0.990 779 HG12 VAL 100 HG12 VAL 100 -0.563 11.631 -2.704 780 HG13 VAL 100 HG13 VAL 100 -0.072 12.966 -1.652 781 HG21 VAL 100 HG21 VAL 100 0.024 9.492 -0.573 782 HG22 VAL 100 HG22 VAL 100 1.738 9.240 -0.937 783 HG23 VAL 100 HG23 VAL 100 0.561 9.337 -2.250 784 H LYS 101 H LYS 101 1.180 12.885 -4.368 785 HA LYS 101 HA LYS 101 0.501 10.808 -6.082 786 HB2 LYS 101 HB2 LYS 101 0.271 12.495 -7.835 787 HB3 LYS 101 HB1 LYS 101 -0.363 13.075 -6.298 788 HG2 LYS 101 HG2 LYS 101 0.705 14.936 -7.038 789 HG3 LYS 101 HG1 LYS 101 1.956 14.178 -6.060 790 HD2 LYS 101 HD2 LYS 101 2.978 14.958 -8.092 791 HD3 LYS 101 HD1 LYS 101 2.888 13.197 -8.186 792 HE2 LYS 101 HE2 LYS 101 0.903 13.353 -9.584 793 HE3 LYS 101 HE1 LYS 101 0.912 15.104 -9.399 794 HZ1 LYS 101 HZ1 LYS 101 3.057 13.524 -10.744 795 HZ2 LYS 101 HZ2 LYS 101 2.971 15.215 -10.631 796 HZ3 LYS 101 HZ3 LYS 101 1.849 14.379 -11.528 797 H LYS 102 H LYS 102 3.615 12.252 -5.478 798 HA LYS 102 HA LYS 102 4.980 11.499 -7.796 799 HB2 LYS 102 HB2 LYS 102 5.916 11.780 -4.952 800 HB3 LYS 102 HB1 LYS 102 6.970 11.652 -6.353 801 HG2 LYS 102 HG2 LYS 102 6.301 13.759 -7.175 802 HG3 LYS 102 HG1 LYS 102 4.920 13.826 -6.080 803 HD2 LYS 102 HD2 LYS 102 6.771 15.281 -5.344 804 HD3 LYS 102 HD1 LYS 102 6.385 14.026 -4.174 805 HE2 LYS 102 HE2 LYS 102 8.721 14.273 -4.351 806 HE3 LYS 102 HE1 LYS 102 8.274 12.703 -4.972 807 HZ1 LYS 102 HZ1 LYS 102 8.434 13.587 -7.243 808 HZ2 LYS 102 HZ2 LYS 102 9.904 13.758 -6.466 809 HZ3 LYS 102 HZ3 LYS 102 8.879 15.092 -6.654 810 H ALA 103 H ALA 103 4.035 9.776 -4.906 811 HA ALA 103 HA ALA 103 5.696 7.510 -5.181 812 HB1 ALA 103 HB1 ALA 103 4.111 6.350 -3.729 813 HB2 ALA 103 HB2 ALA 103 2.930 7.636 -3.975 814 HB3 ALA 103 HB3 ALA 103 4.436 7.974 -3.123 815 H GLN 104 H GLN 104 2.734 8.418 -6.726 816 HA GLN 104 HA GLN 104 2.156 5.826 -7.784 817 HB2 GLN 104 HB2 GLN 104 1.224 8.496 -8.841 818 HB3 GLN 104 HB1 GLN 104 0.458 6.932 -9.089 819 HG2 GLN 104 HG2 GLN 104 -0.005 6.821 -6.662 820 HG3 GLN 104 HG1 GLN 104 0.669 8.440 -6.492 821 HE21 GLN 104 HE21 GLN 104 -0.437 10.168 -7.502 822 HE22 GLN 104 HE22 GLN 104 -2.121 10.062 -7.848 823 H MET 105 H MET 105 4.267 8.350 -8.564 824 HA MET 105 HA MET 105 4.689 7.605 -11.361 825 HB2 MET 105 HB2 MET 105 6.205 9.590 -9.735 826 HB3 MET 105 HB1 MET 105 6.064 9.521 -11.478 827 HG2 MET 105 HG2 MET 105 3.715 10.084 -11.371 828 HG3 MET 105 HG1 MET 105 3.779 10.142 -9.624 829 HE1 MET 105 HE1 MET 105 6.511 11.517 -12.127 830 HE2 MET 105 HE2 MET 105 5.974 13.184 -12.326 831 HE3 MET 105 HE3 MET 105 4.981 11.861 -12.936 832 H LEU 106 H LEU 106 5.855 6.987 -8.251 833 HA LEU 106 HA LEU 106 8.576 6.598 -8.616 834 HB2 LEU 106 HB2 LEU 106 6.664 5.816 -6.577 835 HB3 LEU 106 HB1 LEU 106 7.920 4.620 -6.785 836 HG LEU 106 HG LEU 106 9.636 6.275 -6.307 837 HD11 LEU 106 HD11 LEU 106 9.058 8.517 -5.507 838 HD12 LEU 106 HD12 LEU 106 7.377 8.242 -5.963 839 HD13 LEU 106 HD13 LEU 106 8.632 8.275 -7.195 840 HD21 LEU 106 HD21 LEU 106 7.425 6.220 -4.266 841 HD22 LEU 106 HD22 LEU 106 9.093 6.694 -3.953 842 HD23 LEU 106 HD23 LEU 106 8.729 5.045 -4.451 843 HA PRO 107 HA PRO 107 7.833 2.006 -9.924 844 HB2 PRO 107 HB2 PRO 107 5.542 1.714 -11.430 845 HB3 PRO 107 HB1 PRO 107 5.728 1.136 -9.767 846 HG2 PRO 107 HG2 PRO 107 4.405 3.599 -10.800 847 HG3 PRO 107 HG1 PRO 107 3.958 2.565 -9.430 848 HD2 PRO 107 HD2 PRO 107 5.160 4.944 -9.094 849 HD3 PRO 107 HD1 PRO 107 5.473 3.576 -8.011 850 H ASN 108 H ASN 108 6.884 4.918 -11.649 851 HA ASN 108 HA ASN 108 7.659 3.886 -14.183 852 HB2 ASN 108 HB2 ASN 108 6.831 6.564 -13.101 853 HB3 ASN 108 HB1 ASN 108 7.242 6.278 -14.777 854 HD21 ASN 108 HD21 ASN 108 5.787 5.197 -16.059 855 HD22 ASN 108 HD22 ASN 108 4.171 4.852 -15.584 856 H GLN 109 H GLN 109 8.740 6.212 -11.769 857 HA GLN 109 HA GLN 109 11.058 7.011 -13.246 858 HB2 GLN 109 HB2 GLN 109 10.423 7.555 -10.349 859 HB3 GLN 109 HB1 GLN 109 11.626 8.385 -11.320 860 HG2 GLN 109 HG2 GLN 109 9.804 9.211 -12.786 861 HG3 GLN 109 HG1 GLN 109 8.641 8.454 -11.701 862 HE21 GLN 109 HE21 GLN 109 10.833 11.065 -12.163 863 HE22 GLN 109 HE22 GLN 109 10.403 11.968 -10.764 864 H CYS 110 H CYS 110 10.534 4.722 -10.642 865 HA CYS 110 HA CYS 110 13.400 4.291 -10.299 866 HB2 CYS 110 HB2 CYS 110 11.670 4.251 -8.404 867 HB3 CYS 110 HB1 CYS 110 11.080 2.792 -9.099 868 H ASN 111 H ASN 111 11.061 3.366 -12.388 869 HA ASN 111 HA ASN 111 10.686 1.757 -13.858 870 HB2 ASN 111 HB2 ASN 111 12.904 2.410 -14.718 871 HB3 ASN 111 HB1 ASN 111 13.659 1.271 -13.612 872 HD21 ASN 111 HD21 ASN 111 11.595 1.538 -16.443 873 HD22 ASN 111 HD22 ASN 111 11.941 -0.017 -17.075 874 H LEU 112 H LEU 112 9.585 1.060 -12.068 875 HA LEU 112 HA LEU 112 10.308 -1.611 -11.116 876 HB2 LEU 112 HB2 LEU 112 7.965 0.069 -10.252 877 HB3 LEU 112 HB1 LEU 112 8.628 -1.344 -9.457 878 HG LEU 112 HG LEU 112 9.975 1.317 -9.716 879 HD11 LEU 112 HD11 LEU 112 8.808 -0.072 -7.309 880 HD12 LEU 112 HD12 LEU 112 8.257 1.446 -8.033 881 HD13 LEU 112 HD13 LEU 112 9.816 1.358 -7.237 882 HD21 LEU 112 HD21 LEU 112 10.956 -1.208 -8.399 883 HD22 LEU 112 HD22 LEU 112 11.755 0.372 -8.342 884 HD23 LEU 112 HD23 LEU 112 11.584 -0.471 -9.869 885 H GLN 113 H GLN 113 8.621 -3.239 -11.121 886 HA GLN 113 HA GLN 113 7.570 -3.615 -13.764 887 HB2 GLN 113 HB2 GLN 113 6.981 -5.318 -11.357 888 HB3 GLN 113 HB1 GLN 113 7.072 -5.809 -13.040 889 HG2 GLN 113 HG2 GLN 113 9.330 -4.980 -11.266 890 HG3 GLN 113 HG1 GLN 113 9.000 -6.614 -11.835 891 HE21 GLN 113 HE21 GLN 113 11.379 -4.960 -12.120 892 HE22 GLN 113 HE22 GLN 113 11.674 -4.835 -13.812 893 H CYS 114 H CYS 114 6.282 -1.428 -12.832 894 HA CYS 114 HA CYS 114 3.505 -2.118 -12.810 895 HB2 CYS 114 HB2 CYS 114 4.970 -1.158 -10.457 896 HB3 CYS 114 HB1 CYS 114 3.256 -0.688 -10.595 897 H SER 115 H SER 115 2.209 -0.082 -12.889 898 HA SER 115 HA SER 115 3.589 2.438 -13.107 899 HB2 SER 115 HB2 SER 115 1.908 1.281 -15.359 900 HB3 SER 115 HB1 SER 115 2.537 2.928 -15.292 901 HG SER 115 HG SER 115 4.488 1.113 -14.878 902 H ILE 116 H ILE 116 2.297 3.901 -11.997 903 HA ILE 116 HA ILE 116 -0.461 3.048 -11.588 904 HB ILE 116 HB ILE 116 1.179 4.937 -9.853 905 HG12 ILE 116 HG12 ILE 116 0.281 2.101 -9.284 906 HG13 ILE 116 HG11 ILE 116 1.907 2.536 -9.785 907 HG21 ILE 116 HG21 ILE 116 -1.570 3.725 -9.428 908 HG22 ILE 116 HG22 ILE 116 -1.245 5.412 -9.821 909 HG23 ILE 116 HG23 ILE 116 -0.711 4.748 -8.276 910 HD11 ILE 116 HD11 ILE 116 1.729 2.149 -7.378 911 HD12 ILE 116 HD12 ILE 116 0.550 3.458 -7.252 912 HD13 ILE 116 HD13 ILE 116 2.212 3.801 -7.739 Start of MODEL 19 1 H1 GLY 1 H GLY 1 -0.790 -10.216 1.877 2 H2 GLY 1 HT1 GLY 1 -2.167 -10.702 3.043 3 H3 GLY 1 HT2 GLY 1 -1.639 -10.111 1.556 4 HA2 GLY 1 HA1 GLY 1 -2.567 -12.347 1.343 5 HA3 GLY 1 HA2 GLY 1 -0.841 -12.347 0.979 6 H ARG 2 H ARG 2 -1.236 -14.703 1.586 7 HA ARG 2 HA ARG 2 -1.617 -15.206 4.394 8 HB2 ARG 2 HB2 ARG 2 -0.725 -17.006 2.146 9 HB3 ARG 2 HB1 ARG 2 -1.032 -17.532 3.794 10 HG2 ARG 2 HG2 ARG 2 -3.382 -16.757 3.554 11 HG3 ARG 2 HG1 ARG 2 -3.027 -16.380 1.864 12 HD2 ARG 2 HD2 ARG 2 -2.693 -19.115 3.078 13 HD3 ARG 2 HD1 ARG 2 -4.155 -18.583 2.256 14 HE ARG 2 HE ARG 2 -2.956 -18.479 0.221 15 HH11 ARG 2 HH11 ARG 2 -0.943 -19.841 2.836 16 HH12 ARG 2 HH12 ARG 2 -0.038 -20.825 1.795 17 HH21 ARG 2 HH21 ARG 2 -1.687 -19.860 -1.186 18 HH22 ARG 2 HH22 ARG 2 -0.452 -20.819 -0.530 19 H CYS 3 H CYS 3 -0.133 -15.316 5.936 20 HA CYS 3 HA CYS 3 2.659 -15.370 5.121 21 HB2 CYS 3 HB2 CYS 3 1.430 -13.442 7.044 22 HB3 CYS 3 HB1 CYS 3 3.146 -13.565 6.685 23 H THR 4 H THR 4 3.971 -16.275 6.571 24 HA THR 4 HA THR 4 2.862 -18.091 8.469 25 HB THR 4 HB THR 4 5.221 -18.623 8.969 26 HG1 THR 4 HG1 THR 4 6.539 -16.968 8.759 27 HG21 THR 4 HG21 THR 4 5.939 -19.299 6.709 28 HG22 THR 4 HG22 THR 4 4.690 -18.272 6.016 29 HG23 THR 4 HG23 THR 4 4.236 -19.675 6.993 30 H LYS 5 H LYS 5 3.056 -17.940 10.759 31 HA LYS 5 HA LYS 5 3.406 -15.241 11.681 32 HB2 LYS 5 HB2 LYS 5 2.643 -17.687 13.278 33 HB3 LYS 5 HB1 LYS 5 2.512 -16.009 13.792 34 HG2 LYS 5 HG2 LYS 5 0.932 -17.372 11.628 35 HG3 LYS 5 HG1 LYS 5 0.344 -16.794 13.186 36 HD2 LYS 5 HD2 LYS 5 0.786 -14.507 12.547 37 HD3 LYS 5 HD1 LYS 5 1.511 -15.036 11.035 38 HE2 LYS 5 HE2 LYS 5 -1.353 -15.512 11.813 39 HE3 LYS 5 HE1 LYS 5 -0.796 -14.228 10.745 40 HZ1 LYS 5 HZ1 LYS 5 -1.607 -16.112 9.489 41 HZ2 LYS 5 HZ2 LYS 5 -0.518 -17.162 10.198 42 HZ3 LYS 5 HZ3 LYS 5 0.025 -15.936 9.196 43 H SER 6 H SER 6 5.507 -15.163 11.134 44 HA SER 6 HA SER 6 7.253 -16.074 13.268 45 HB2 SER 6 HB2 SER 6 9.009 -16.556 11.533 46 HB3 SER 6 HB1 SER 6 7.626 -17.646 11.446 47 HG SER 6 HG SER 6 8.446 -15.631 9.702 48 H ILE 7 H ILE 7 9.232 -14.711 13.273 49 HA ILE 7 HA ILE 7 8.903 -12.160 11.892 50 HB ILE 7 HB ILE 7 9.758 -12.571 14.783 51 HG12 ILE 7 HG12 ILE 7 7.312 -12.510 14.353 52 HG13 ILE 7 HG11 ILE 7 7.851 -11.182 15.383 53 HG21 ILE 7 HG21 ILE 7 11.222 -10.920 13.758 54 HG22 ILE 7 HG22 ILE 7 10.134 -10.143 14.910 55 HG23 ILE 7 HG23 ILE 7 9.824 -10.014 13.179 56 HD11 ILE 7 HD11 ILE 7 7.747 -9.695 13.412 57 HD12 ILE 7 HD12 ILE 7 6.193 -10.431 13.794 58 HD13 ILE 7 HD13 ILE 7 7.149 -11.048 12.449 59 HA PRO 8 HA PRO 8 9.783 -11.077 10.459 60 HB2 PRO 8 HB2 PRO 8 11.185 -11.993 8.053 61 HB3 PRO 8 HB1 PRO 8 11.039 -10.361 8.717 62 HG2 PRO 8 HG2 PRO 8 13.378 -11.689 8.755 63 HG3 PRO 8 HG1 PRO 8 12.894 -10.595 10.063 64 HD2 PRO 8 HD2 PRO 8 12.715 -13.588 9.954 65 HD3 PRO 8 HD1 PRO 8 13.317 -12.547 11.262 66 HA PRO 9 HA PRO 9 6.967 -14.192 9.052 67 HB2 PRO 9 HB2 PRO 9 5.266 -12.715 7.553 68 HB3 PRO 9 HB1 PRO 9 5.318 -12.601 9.317 69 HG2 PRO 9 HG2 PRO 9 6.571 -10.812 7.268 70 HG3 PRO 9 HG1 PRO 9 5.689 -10.380 8.745 71 HD2 PRO 9 HD2 PRO 9 8.401 -10.384 8.602 72 HD3 PRO 9 HD1 PRO 9 7.517 -10.755 10.097 73 H ILE 10 H ILE 10 6.379 -15.402 7.176 74 HA ILE 10 HA ILE 10 7.825 -14.715 4.713 75 HB ILE 10 HB ILE 10 6.858 -17.419 5.700 76 HG12 ILE 10 HG12 ILE 10 8.710 -16.709 7.082 77 HG13 ILE 10 HG11 ILE 10 9.253 -17.989 6.004 78 HG21 ILE 10 HG21 ILE 10 6.878 -17.303 3.281 79 HG22 ILE 10 HG22 ILE 10 8.170 -18.363 3.845 80 HG23 ILE 10 HG23 ILE 10 8.545 -16.729 3.299 81 HD11 ILE 10 HD11 ILE 10 9.764 -15.044 5.694 82 HD12 ILE 10 HD12 ILE 10 10.258 -16.290 4.550 83 HD13 ILE 10 HD13 ILE 10 10.935 -16.275 6.185 84 H CYS 11 H CYS 11 6.443 -14.014 3.191 85 HA CYS 11 HA CYS 11 3.672 -14.849 3.495 86 HB2 CYS 11 HB2 CYS 11 4.757 -12.388 2.143 87 HB3 CYS 11 HB1 CYS 11 3.056 -12.841 2.230 88 H PHE 12 H PHE 12 2.495 -15.474 1.872 89 HA PHE 12 HA PHE 12 3.943 -16.649 -0.344 90 HB2 PHE 12 HB2 PHE 12 1.279 -17.217 0.931 91 HB3 PHE 12 HB1 PHE 12 1.790 -17.989 -0.566 92 HD1 PHE 12 HD1 PHE 12 1.789 -18.234 2.946 93 HD2 PHE 12 HD2 PHE 12 4.129 -19.058 -0.499 94 HE1 PHE 12 HE1 PHE 12 3.096 -19.878 4.229 95 HE2 PHE 12 HE2 PHE 12 5.422 -20.670 0.719 96 HZ PHE 12 HZ PHE 12 4.925 -21.115 3.127 97 HA PRO 13 HA PRO 13 2.045 -13.853 -3.189 98 HB2 PRO 13 HB2 PRO 13 2.132 -15.316 -5.451 99 HB3 PRO 13 HB1 PRO 13 3.607 -14.711 -4.687 100 HG2 PRO 13 HG2 PRO 13 2.380 -17.433 -4.548 101 HG3 PRO 13 HG1 PRO 13 4.081 -16.998 -4.775 102 HD2 PRO 13 HD2 PRO 13 3.025 -17.756 -2.386 103 HD3 PRO 13 HD1 PRO 13 4.410 -16.678 -2.498 104 H ASP 14 H ASP 14 0.171 -15.104 -1.582 105 HA ASP 14 HA ASP 14 -2.114 -15.279 -3.321 106 HB2 ASP 14 HB2 ASP 14 -1.412 -17.590 -3.353 107 HB3 ASP 14 HB1 ASP 14 -1.302 -17.618 -1.598 108 H GLY 15 H GLY 15 -3.862 -14.388 -2.369 109 HA2 GLY 15 HA2 GLY 15 -4.335 -14.552 0.430 110 HA3 GLY 15 HA1 GLY 15 -3.918 -12.935 -0.148 111 H LEU 16 H LEU 16 -5.575 -11.783 -0.609 112 HA LEU 16 HA LEU 16 -7.624 -12.791 -2.335 113 HB2 LEU 16 HB2 LEU 16 -9.584 -12.132 -0.979 114 HB3 LEU 16 HB1 LEU 16 -8.698 -13.457 -0.274 115 HG LEU 16 HG LEU 16 -8.408 -10.613 0.729 116 HD11 LEU 16 HD11 LEU 16 -10.289 -12.777 1.679 117 HD12 LEU 16 HD12 LEU 16 -10.760 -11.280 0.873 118 HD13 LEU 16 HD13 LEU 16 -10.017 -11.225 2.471 119 HD21 LEU 16 HD21 LEU 16 -7.604 -11.695 2.741 120 HD22 LEU 16 HD22 LEU 16 -6.669 -12.279 1.355 121 HD23 LEU 16 HD23 LEU 16 -7.934 -13.283 2.053 122 H ASP 17 H ASP 17 -6.802 -10.093 -0.320 123 HA ASP 17 HA ASP 17 -7.786 -8.260 -2.380 124 HB2 ASP 17 HB2 ASP 17 -7.484 -6.489 -0.719 125 HB3 ASP 17 HB1 ASP 17 -8.438 -7.802 -0.043 126 H ASN 18 H ASN 18 -5.308 -9.906 -2.431 127 HA ASN 18 HA ASN 18 -3.462 -7.734 -3.087 128 HB2 ASN 18 HB2 ASN 18 -2.747 -10.280 -1.628 129 HB3 ASN 18 HB1 ASN 18 -1.571 -9.218 -2.374 130 HD21 ASN 18 HD21 ASN 18 -3.088 -6.781 -1.501 131 HD22 ASN 18 HD22 ASN 18 -2.766 -6.668 0.179 132 HA PRO 19 HA PRO 19 -3.514 -9.981 -6.979 133 HB2 PRO 19 HB2 PRO 19 -1.192 -8.117 -7.371 134 HB3 PRO 19 HB1 PRO 19 -2.555 -8.444 -8.448 135 HG2 PRO 19 HG2 PRO 19 -2.497 -6.192 -7.074 136 HG3 PRO 19 HG1 PRO 19 -4.010 -7.109 -7.216 137 HD2 PRO 19 HD2 PRO 19 -2.123 -6.943 -4.906 138 HD3 PRO 19 HD1 PRO 19 -3.899 -6.937 -4.932 139 H ARG 20 H ARG 20 -0.467 -9.091 -5.363 140 HA ARG 20 HA ARG 20 0.476 -11.847 -5.863 141 HB2 ARG 20 HB2 ARG 20 2.202 -9.483 -5.032 142 HB3 ARG 20 HB1 ARG 20 2.763 -11.104 -5.361 143 HG2 ARG 20 HG2 ARG 20 3.370 -9.876 -7.230 144 HG3 ARG 20 HG1 ARG 20 1.899 -10.718 -7.725 145 HD2 ARG 20 HD2 ARG 20 0.622 -8.745 -7.125 146 HD3 ARG 20 HD1 ARG 20 2.106 -7.888 -6.764 147 HE ARG 20 HE ARG 20 1.936 -9.070 -9.403 148 HH11 ARG 20 HH11 ARG 20 1.545 -6.040 -7.531 149 HH12 ARG 20 HH12 ARG 20 1.735 -5.051 -8.888 150 HH21 ARG 20 HH21 ARG 20 2.186 -7.644 -11.247 151 HH22 ARG 20 HH22 ARG 20 2.114 -5.969 -11.043 152 H GLY 21 H GLY 21 0.671 -9.243 -3.534 153 HA2 GLY 21 HA2 GLY 21 0.207 -9.485 -1.199 154 HA3 GLY 21 HA1 GLY 21 0.419 -11.243 -1.462 155 H CYS 22 H CYS 22 2.199 -8.333 -2.091 156 HA CYS 22 HA CYS 22 4.591 -9.756 -1.552 157 HB2 CYS 22 HB2 CYS 22 3.971 -7.073 -2.651 158 HB3 CYS 22 HB1 CYS 22 5.586 -7.485 -2.078 159 H GLN 23 H GLN 23 5.857 -9.550 0.100 160 HA GLN 23 HA GLN 23 4.848 -7.924 2.280 161 HB2 GLN 23 HB2 GLN 23 6.210 -9.359 3.738 162 HB3 GLN 23 HB1 GLN 23 5.004 -10.232 2.796 163 HG2 GLN 23 HG2 GLN 23 6.617 -11.031 1.282 164 HG3 GLN 23 HG1 GLN 23 7.874 -10.025 1.969 165 HE21 GLN 23 HE21 GLN 23 7.102 -10.517 4.689 166 HE22 GLN 23 HE22 GLN 23 7.625 -12.112 5.069 167 H ILE 24 H ILE 24 5.680 -6.062 2.061 168 HA ILE 24 HA ILE 24 8.603 -5.861 1.908 169 HB ILE 24 HB ILE 24 6.741 -3.529 1.312 170 HG12 ILE 24 HG12 ILE 24 7.390 -3.906 -1.143 171 HG13 ILE 24 HG11 ILE 24 7.788 -5.564 -0.671 172 HG21 ILE 24 HG21 ILE 24 8.671 -2.645 0.141 173 HG22 ILE 24 HG22 ILE 24 9.608 -4.066 0.579 174 HG23 ILE 24 HG23 ILE 24 9.070 -2.949 1.841 175 HD11 ILE 24 HD11 ILE 24 5.455 -5.857 0.004 176 HD12 ILE 24 HD12 ILE 24 5.612 -5.389 -1.691 177 HD13 ILE 24 HD13 ILE 24 5.120 -4.197 -0.489 178 H ARG 25 H ARG 25 9.537 -4.950 3.657 179 HA ARG 25 HA ARG 25 7.939 -4.604 5.953 180 HB2 ARG 25 HB2 ARG 25 10.074 -3.983 7.069 181 HB3 ARG 25 HB1 ARG 25 10.203 -5.468 6.149 182 HG2 ARG 25 HG2 ARG 25 11.240 -4.124 4.287 183 HG3 ARG 25 HG1 ARG 25 11.185 -2.765 5.384 184 HD2 ARG 25 HD2 ARG 25 12.665 -3.790 6.907 185 HD3 ARG 25 HD1 ARG 25 12.605 -5.324 6.032 186 HE ARG 25 HE ARG 25 13.462 -3.645 4.145 187 HH11 ARG 25 HH11 ARG 25 14.658 -4.185 7.446 188 HH12 ARG 25 HH12 ARG 25 16.267 -3.764 7.055 189 HH21 ARG 25 HH21 ARG 25 15.697 -3.148 3.632 190 HH22 ARG 25 HH22 ARG 25 16.866 -3.202 4.866 191 H ILE 26 H ILE 26 6.817 -2.885 6.485 192 HA ILE 26 HA ILE 26 6.837 -0.563 4.867 193 HB ILE 26 HB ILE 26 5.203 0.417 6.448 194 HG12 ILE 26 HG12 ILE 26 4.182 -1.294 8.139 195 HG13 ILE 26 HG11 ILE 26 5.734 -2.093 8.035 196 HG21 ILE 26 HG21 ILE 26 4.438 -0.883 4.593 197 HG22 ILE 26 HG22 ILE 26 3.397 -1.182 5.989 198 HG23 ILE 26 HG23 ILE 26 4.618 -2.371 5.523 199 HD11 ILE 26 HD11 ILE 26 5.248 0.725 8.981 200 HD12 ILE 26 HD12 ILE 26 6.824 -0.053 8.848 201 HD13 ILE 26 HD13 ILE 26 5.630 -0.675 9.987 202 H GLN 27 H GLN 27 8.699 -1.438 7.439 203 HA GLN 27 HA GLN 27 9.156 1.159 8.541 204 HB2 GLN 27 HB2 GLN 27 10.907 0.101 9.844 205 HB3 GLN 27 HB1 GLN 27 9.439 -0.866 9.867 206 HG2 GLN 27 HG2 GLN 27 10.391 -2.378 8.208 207 HG3 GLN 27 HG1 GLN 27 11.860 -1.417 8.162 208 HE21 GLN 27 HE21 GLN 27 11.864 -0.962 11.048 209 HE22 GLN 27 HE22 GLN 27 12.343 -2.445 11.764 210 H GLN 28 H GLN 28 10.234 -0.498 5.763 211 HA GLN 28 HA GLN 28 12.679 1.023 5.688 212 HB2 GLN 28 HB2 GLN 28 13.359 -0.274 3.829 213 HB3 GLN 28 HB1 GLN 28 12.420 -1.371 4.831 214 HG2 GLN 28 HG2 GLN 28 10.596 -1.300 3.390 215 HG3 GLN 28 HG1 GLN 28 11.273 0.057 2.480 216 HE21 GLN 28 HE21 GLN 28 11.300 -0.981 0.566 217 HE22 GLN 28 HE22 GLN 28 12.386 -2.285 0.233 218 H LEU 29 H LEU 29 9.444 1.249 4.698 219 HA LEU 29 HA LEU 29 10.012 3.164 2.593 220 HB2 LEU 29 HB2 LEU 29 7.420 2.051 3.598 221 HB3 LEU 29 HB1 LEU 29 7.509 3.372 2.465 222 HG LEU 29 HG LEU 29 7.071 1.593 1.159 223 HD11 LEU 29 HD11 LEU 29 10.074 1.747 1.126 224 HD12 LEU 29 HD12 LEU 29 8.956 2.828 0.316 225 HD13 LEU 29 HD13 LEU 29 9.064 1.136 -0.196 226 HD21 LEU 29 HD21 LEU 29 7.250 -0.173 2.759 227 HD22 LEU 29 HD22 LEU 29 9.004 -0.031 2.780 228 HD23 LEU 29 HD23 LEU 29 8.187 -0.633 1.330 229 H ASN 30 H ASN 30 9.932 3.195 5.769 230 HA ASN 30 HA ASN 30 8.407 5.315 6.588 231 HB2 ASN 30 HB2 ASN 30 9.612 4.022 8.218 232 HB3 ASN 30 HB1 ASN 30 11.160 4.486 7.539 233 HD21 ASN 30 HD21 ASN 30 12.048 6.462 8.107 234 HD22 ASN 30 HD22 ASN 30 11.383 7.493 9.304 235 H HIS 31 H HIS 31 11.484 5.402 4.875 236 HA HIS 31 HA HIS 31 11.879 8.198 5.196 237 HB2 HIS 31 HB2 HIS 31 13.625 6.419 4.345 238 HB3 HIS 31 HB1 HIS 31 12.901 6.744 2.770 239 HD1 HIS 31 HD1 HIS 31 15.787 7.703 4.466 240 HD2 HIS 31 HD2 HIS 31 12.787 9.892 2.592 241 HE1 HIS 31 HE1 HIS 31 16.786 9.924 3.897 242 H CYS 32 H CYS 32 10.588 6.299 2.471 243 HA CYS 32 HA CYS 32 9.870 8.489 0.855 244 HB2 CYS 32 HB2 CYS 32 9.416 5.615 0.852 245 HB3 CYS 32 HB1 CYS 32 7.984 6.477 0.284 246 H GLN 33 H GLN 33 7.881 6.596 3.072 247 HA GLN 33 HA GLN 33 5.518 7.898 2.952 248 HB2 GLN 33 HB2 GLN 33 5.698 5.968 4.173 249 HB3 GLN 33 HB1 GLN 33 7.053 6.559 5.134 250 HG2 GLN 33 HG2 GLN 33 5.560 8.173 6.098 251 HG3 GLN 33 HG1 GLN 33 4.170 7.400 5.317 252 HE21 GLN 33 HE21 GLN 33 3.199 6.707 7.229 253 HE22 GLN 33 HE22 GLN 33 3.898 5.533 8.286 254 H MET 34 H MET 34 8.275 8.722 5.093 255 HA MET 34 HA MET 34 6.880 10.962 6.151 256 HB2 MET 34 HB2 MET 34 8.880 11.551 7.353 257 HB3 MET 34 HB1 MET 34 8.571 9.820 7.517 258 HG2 MET 34 HG2 MET 34 10.326 9.444 5.798 259 HG3 MET 34 HG1 MET 34 10.664 11.171 5.818 260 HE1 MET 34 HE1 MET 34 10.340 11.877 8.922 261 HE2 MET 34 HE2 MET 34 11.663 12.461 7.914 262 HE3 MET 34 HE3 MET 34 12.007 11.698 9.466 263 H HIS 35 H HIS 35 9.330 10.590 3.702 264 HA HIS 35 HA HIS 35 9.747 13.380 3.472 265 HB2 HIS 35 HB2 HIS 35 11.300 12.968 1.707 266 HB3 HIS 35 HB1 HIS 35 11.323 11.525 2.705 267 HD1 HIS 35 HD1 HIS 35 9.368 12.542 -0.457 268 HD2 HIS 35 HD2 HIS 35 11.708 9.473 1.056 269 HE1 HIS 35 HE1 HIS 35 9.598 10.839 -2.301 270 H LEU 36 H LEU 36 7.424 11.320 2.114 271 HA LEU 36 HA LEU 36 6.544 13.284 0.211 272 HB2 LEU 36 HB2 LEU 36 5.168 10.777 1.148 273 HB3 LEU 36 HB1 LEU 36 4.609 11.849 -0.130 274 HG LEU 36 HG LEU 36 7.212 10.336 -0.200 275 HD11 LEU 36 HD11 LEU 36 6.116 8.877 -1.812 276 HD12 LEU 36 HD12 LEU 36 4.589 9.720 -1.539 277 HD13 LEU 36 HD13 LEU 36 5.337 8.801 -0.233 278 HD21 LEU 36 HD21 LEU 36 7.168 10.920 -2.591 279 HD22 LEU 36 HD22 LEU 36 7.258 12.336 -1.548 280 HD23 LEU 36 HD23 LEU 36 5.725 11.899 -2.309 281 H THR 37 H THR 37 5.470 12.234 3.452 282 HA THR 37 HA THR 37 3.159 13.939 3.210 283 HB THR 37 HB THR 37 2.667 13.226 5.499 284 HG1 THR 37 HG1 THR 37 4.409 11.198 5.656 285 HG21 THR 37 HG21 THR 37 2.361 10.846 4.969 286 HG22 THR 37 HG22 THR 37 3.431 11.062 3.578 287 HG23 THR 37 HG23 THR 37 1.878 11.901 3.639 288 H SER 38 H SER 38 6.301 14.322 4.251 289 HA SER 38 HA SER 38 5.628 16.428 6.133 290 HB2 SER 38 HB2 SER 38 8.326 15.319 5.437 291 HB3 SER 38 HB1 SER 38 7.974 16.432 6.776 292 HG SER 38 HG SER 38 7.347 13.778 6.355 293 H PHE 39 H PHE 39 5.445 18.464 5.476 294 HA PHE 39 HA PHE 39 7.181 19.336 3.302 295 HB2 PHE 39 HB2 PHE 39 4.806 20.720 4.608 296 HB3 PHE 39 HB1 PHE 39 5.801 21.444 3.349 297 HD1 PHE 39 HD1 PHE 39 5.831 20.423 1.079 298 HD2 PHE 39 HD2 PHE 39 3.063 19.211 4.073 299 HE1 PHE 39 HE1 PHE 39 4.421 19.388 -0.650 300 HE2 PHE 39 HE2 PHE 39 1.651 18.176 2.350 301 HZ PHE 39 HZ PHE 39 2.333 18.266 -0.015 302 H ASP 40 H ASP 40 9.096 19.677 4.162 303 HA ASP 40 HA ASP 40 9.287 20.375 6.931 304 HB2 ASP 40 HB2 ASP 40 10.717 18.651 5.682 305 HB3 ASP 40 HB1 ASP 40 11.581 20.021 5.024 306 H TYR 41 H TYR 41 11.316 21.916 7.295 307 HA TYR 41 HA TYR 41 10.125 24.436 6.467 308 HB2 TYR 41 HB2 TYR 41 10.965 25.304 8.602 309 HB3 TYR 41 HB1 TYR 41 9.986 23.816 8.637 310 HD1 TYR 41 HD1 TYR 41 10.625 21.967 9.815 311 HD2 TYR 41 HD2 TYR 41 13.551 24.887 8.881 312 HE1 TYR 41 HE1 TYR 41 12.250 20.751 11.181 313 HE2 TYR 41 HE2 TYR 41 15.197 23.684 10.234 314 HH TYR 41 HH TYR 41 15.260 22.109 12.050 315 H LYS 42 H LYS 42 13.245 22.817 6.702 316 HA LYS 42 HA LYS 42 14.521 25.302 5.976 317 HB2 LYS 42 HB2 LYS 42 16.613 24.324 6.446 318 HB3 LYS 42 HB1 LYS 42 15.458 23.624 7.576 319 HG2 LYS 42 HG2 LYS 42 16.308 22.189 5.071 320 HG3 LYS 42 HG1 LYS 42 17.211 22.060 6.576 321 HD2 LYS 42 HD2 LYS 42 15.072 21.262 7.643 322 HD3 LYS 42 HD1 LYS 42 14.373 21.244 6.026 323 HE2 LYS 42 HE2 LYS 42 15.911 19.582 5.280 324 HE3 LYS 42 HE1 LYS 42 16.860 19.710 6.757 325 HZ1 LYS 42 HZ1 LYS 42 14.965 18.849 7.991 326 HZ2 LYS 42 HZ2 LYS 42 15.473 17.761 6.810 327 HZ3 LYS 42 HZ3 LYS 42 14.078 18.663 6.561 328 H LEU 43 H LEU 43 12.839 23.266 4.299 329 HA LEU 43 HA LEU 43 14.528 22.870 2.023 330 HB2 LEU 43 HB2 LEU 43 11.555 22.550 2.280 331 HB3 LEU 43 HB1 LEU 43 12.566 21.910 1.002 332 HG LEU 43 HG LEU 43 12.721 21.117 3.883 333 HD11 LEU 43 HD11 LEU 43 11.710 19.002 3.091 334 HD12 LEU 43 HD12 LEU 43 11.394 19.785 1.526 335 HD13 LEU 43 HD13 LEU 43 10.671 20.413 3.022 336 HD21 LEU 43 HD21 LEU 43 14.832 20.857 2.736 337 HD22 LEU 43 HD22 LEU 43 14.047 19.944 1.440 338 HD23 LEU 43 HD23 LEU 43 14.115 19.286 3.079 339 H ARG 44 H ARG 44 15.075 25.005 1.570 340 HA ARG 44 HA ARG 44 12.899 26.617 0.424 341 HB2 ARG 44 HB2 ARG 44 14.335 28.591 0.705 342 HB3 ARG 44 HB1 ARG 44 14.010 27.780 2.224 343 HG2 ARG 44 HG2 ARG 44 16.214 26.827 2.247 344 HG3 ARG 44 HG1 ARG 44 16.557 27.508 0.656 345 HD2 ARG 44 HD2 ARG 44 16.255 29.757 1.560 346 HD3 ARG 44 HD1 ARG 44 15.925 29.074 3.150 347 HE ARG 44 HE ARG 44 18.401 28.153 2.184 348 HH11 ARG 44 HH11 ARG 44 16.896 31.067 3.509 349 HH12 ARG 44 HH12 ARG 44 18.341 31.656 4.199 350 HH21 ARG 44 HH21 ARG 44 20.381 29.009 3.075 351 HH22 ARG 44 HH22 ARG 44 20.331 30.478 3.949 352 H MET 45 H MET 45 15.982 25.196 -0.165 353 HA MET 45 HA MET 45 15.796 25.993 -2.981 354 HB2 MET 45 HB2 MET 45 18.152 25.063 -1.318 355 HB3 MET 45 HB1 MET 45 18.217 25.333 -3.053 356 HG2 MET 45 HG2 MET 45 17.699 27.674 -2.726 357 HG3 MET 45 HG1 MET 45 17.553 27.416 -0.996 358 HE1 MET 45 HE1 MET 45 20.855 29.533 -1.345 359 HE2 MET 45 HE2 MET 45 19.256 29.441 -0.606 360 HE3 MET 45 HE3 MET 45 19.411 29.657 -2.350 361 H ALA 46 H ALA 46 14.322 23.975 -1.542 362 HA ALA 46 HA ALA 46 14.939 21.742 -3.277 363 HB1 ALA 46 HB1 ALA 46 14.602 20.124 -1.483 364 HB2 ALA 46 HB2 ALA 46 14.437 21.443 -0.320 365 HB3 ALA 46 HB3 ALA 46 15.980 21.173 -1.139 366 H VAL 47 H VAL 47 13.220 22.454 -4.452 367 HA VAL 47 HA VAL 47 10.583 21.695 -3.359 368 HB VAL 47 HB VAL 47 11.062 23.944 -5.324 369 HG11 VAL 47 HG11 VAL 47 8.537 23.082 -3.905 370 HG12 VAL 47 HG12 VAL 47 8.899 22.871 -5.615 371 HG13 VAL 47 HG13 VAL 47 8.673 24.492 -4.956 372 HG21 VAL 47 HG21 VAL 47 11.871 24.675 -3.163 373 HG22 VAL 47 HG22 VAL 47 10.370 24.163 -2.399 374 HG23 VAL 47 HG23 VAL 47 10.362 25.515 -3.534 375 H GLU 48 H GLU 48 12.217 22.673 -6.326 376 HA GLU 48 HA GLU 48 11.747 20.041 -7.515 377 HB2 GLU 48 HB2 GLU 48 11.576 22.660 -9.037 378 HB3 GLU 48 HB1 GLU 48 11.303 21.057 -9.680 379 HG2 GLU 48 HG2 GLU 48 9.282 20.877 -8.283 380 HG3 GLU 48 HG1 GLU 48 9.553 22.535 -7.739 381 H ASN 49 H ASN 49 13.864 19.561 -7.013 382 HA ASN 49 HA ASN 49 15.980 20.983 -8.406 383 HB2 ASN 49 HB2 ASN 49 15.889 20.791 -5.365 384 HB3 ASN 49 HB1 ASN 49 17.297 21.288 -6.278 385 HD21 ASN 49 HD21 ASN 49 17.313 23.364 -7.203 386 HD22 ASN 49 HD22 ASN 49 16.190 24.576 -6.702 387 HA PRO 50 HA PRO 50 17.842 16.868 -8.317 388 HB2 PRO 50 HB2 PRO 50 20.362 17.502 -7.263 389 HB3 PRO 50 HB1 PRO 50 19.938 17.517 -8.976 390 HG2 PRO 50 HG2 PRO 50 20.024 19.780 -7.025 391 HG3 PRO 50 HG1 PRO 50 20.531 19.752 -8.723 392 HD2 PRO 50 HD2 PRO 50 18.249 20.896 -8.058 393 HD3 PRO 50 HD1 PRO 50 18.327 19.861 -9.498 394 H LYS 51 H LYS 51 17.941 18.925 -5.545 395 HA LYS 51 HA LYS 51 18.663 16.970 -3.602 396 HB2 LYS 51 HB2 LYS 51 17.195 19.571 -3.210 397 HB3 LYS 51 HB1 LYS 51 17.864 18.542 -1.947 398 HG2 LYS 51 HG2 LYS 51 19.478 19.883 -4.102 399 HG3 LYS 51 HG1 LYS 51 19.278 20.498 -2.463 400 HD2 LYS 51 HD2 LYS 51 20.571 17.879 -3.255 401 HD3 LYS 51 HD1 LYS 51 21.397 19.331 -2.699 402 HE2 LYS 51 HE2 LYS 51 20.153 19.138 -0.535 403 HE3 LYS 51 HE1 LYS 51 19.488 17.616 -1.123 404 HZ1 LYS 51 HZ1 LYS 51 21.468 17.316 0.319 405 HZ2 LYS 51 HZ2 LYS 51 22.392 18.149 -0.808 406 HZ3 LYS 51 HZ3 LYS 51 21.696 16.679 -1.222 407 H GLN 52 H GLN 52 15.771 17.439 -5.325 408 HA GLN 52 HA GLN 52 14.198 16.283 -3.218 409 HB2 GLN 52 HB2 GLN 52 13.531 16.965 -6.071 410 HB3 GLN 52 HB1 GLN 52 12.359 16.295 -4.944 411 HG2 GLN 52 HG2 GLN 52 13.789 18.928 -4.639 412 HG3 GLN 52 HG1 GLN 52 12.124 18.721 -5.179 413 HE21 GLN 52 HE21 GLN 52 10.553 18.128 -3.675 414 HE22 GLN 52 HE22 GLN 52 10.829 18.250 -1.978 415 H GLN 53 H GLN 53 16.267 15.296 -5.593 416 HA GLN 53 HA GLN 53 14.959 12.751 -6.048 417 HB2 GLN 53 HB2 GLN 53 17.530 13.879 -7.137 418 HB3 GLN 53 HB1 GLN 53 16.787 12.362 -7.631 419 HG2 GLN 53 HG2 GLN 53 14.875 13.527 -8.502 420 HG3 GLN 53 HG1 GLN 53 15.498 15.063 -7.902 421 HE21 GLN 53 HE21 GLN 53 14.817 14.284 -10.580 422 HE22 GLN 53 HE22 GLN 53 16.248 14.493 -11.525 423 H GLN 54 H GLN 54 17.029 14.144 -3.845 424 HA GLN 54 HA GLN 54 18.984 12.150 -3.485 425 HB2 GLN 54 HB2 GLN 54 19.487 13.149 -1.309 426 HB3 GLN 54 HB1 GLN 54 19.154 14.429 -2.459 427 HG2 GLN 54 HG2 GLN 54 16.967 14.764 -1.547 428 HG3 GLN 54 HG1 GLN 54 17.179 13.410 -0.452 429 HE21 GLN 54 HE21 GLN 54 19.961 14.079 0.188 430 HE22 GLN 54 HE22 GLN 54 19.867 15.458 1.202 431 H HIS 55 H HIS 55 15.883 12.593 -1.890 432 HA HIS 55 HA HIS 55 16.204 10.192 -0.442 433 HB2 HIS 55 HB2 HIS 55 13.733 10.593 0.214 434 HB3 HIS 55 HB1 HIS 55 14.966 11.683 0.809 435 HD1 HIS 55 HD1 HIS 55 13.731 13.855 1.030 436 HD2 HIS 55 HD2 HIS 55 12.970 11.966 -2.582 437 HE1 HIS 55 HE1 HIS 55 12.287 15.444 -0.292 438 H LEU 56 H LEU 56 15.070 10.905 -3.515 439 HA LEU 56 HA LEU 56 13.556 8.485 -3.812 440 HB2 LEU 56 HB2 LEU 56 13.177 10.428 -5.326 441 HB3 LEU 56 HB1 LEU 56 14.814 10.288 -5.913 442 HG LEU 56 HG LEU 56 12.987 9.456 -7.467 443 HD11 LEU 56 HD11 LEU 56 15.284 8.803 -7.872 444 HD12 LEU 56 HD12 LEU 56 14.186 7.473 -8.245 445 HD13 LEU 56 HD13 LEU 56 15.118 7.452 -6.750 446 HD21 LEU 56 HD21 LEU 56 12.855 7.187 -5.492 447 HD22 LEU 56 HD22 LEU 56 12.071 7.225 -7.071 448 HD23 LEU 56 HD23 LEU 56 11.578 8.362 -5.814 449 H SER 57 H SER 57 16.863 9.536 -4.583 450 HA SER 57 HA SER 57 17.795 7.139 -5.567 451 HB2 SER 57 HB2 SER 57 19.262 9.250 -3.974 452 HB3 SER 57 HB1 SER 57 20.020 8.025 -4.995 453 HG SER 57 HG SER 57 19.034 8.902 -6.764 454 H LEU 58 H LEU 58 17.168 8.089 -2.314 455 HA LEU 58 HA LEU 58 18.471 5.810 -1.130 456 HB2 LEU 58 HB2 LEU 58 16.411 7.658 0.091 457 HB3 LEU 58 HB1 LEU 58 17.508 6.609 0.941 458 HG LEU 58 HG LEU 58 18.377 8.922 -0.754 459 HD11 LEU 58 HD11 LEU 58 18.898 10.042 1.367 460 HD12 LEU 58 HD12 LEU 58 18.279 8.652 2.254 461 HD13 LEU 58 HD13 LEU 58 17.180 9.636 1.301 462 HD21 LEU 58 HD21 LEU 58 20.070 7.204 -0.658 463 HD22 LEU 58 HD22 LEU 58 19.926 7.113 1.096 464 HD23 LEU 58 HD23 LEU 58 20.571 8.569 0.341 465 H CYS 59 H CYS 59 15.063 6.816 -1.499 466 HA CYS 59 HA CYS 59 13.918 4.471 -0.475 467 HB2 CYS 59 HB2 CYS 59 12.809 6.652 -0.646 468 HB3 CYS 59 HB1 CYS 59 12.718 6.462 -2.390 469 H CYS 60 H CYS 60 14.408 5.444 -3.905 470 HA CYS 60 HA CYS 60 13.292 3.186 -5.107 471 HB2 CYS 60 HB2 CYS 60 13.771 5.238 -6.357 472 HB3 CYS 60 HB1 CYS 60 15.487 5.043 -6.073 473 H ASN 61 H ASN 61 16.400 3.732 -3.686 474 HA ASN 61 HA ASN 61 17.559 1.339 -4.779 475 HB2 ASN 61 HB2 ASN 61 18.921 3.229 -4.164 476 HB3 ASN 61 HB1 ASN 61 18.491 3.044 -2.469 477 HD21 ASN 61 HD21 ASN 61 19.407 1.332 -1.263 478 HD22 ASN 61 HD22 ASN 61 20.711 0.392 -1.843 479 H GLN 62 H GLN 62 16.148 2.317 -1.756 480 HA GLN 62 HA GLN 62 16.607 -0.036 -0.321 481 HB2 GLN 62 HB2 GLN 62 16.098 2.128 0.710 482 HB3 GLN 62 HB1 GLN 62 14.499 2.104 0.003 483 HG2 GLN 62 HG2 GLN 62 14.399 1.600 2.358 484 HG3 GLN 62 HG1 GLN 62 13.908 0.200 1.416 485 HE21 GLN 62 HE21 GLN 62 14.991 0.524 4.172 486 HE22 GLN 62 HE22 GLN 62 16.315 -0.580 4.236 487 H LEU 63 H LEU 63 13.999 0.956 -2.424 488 HA LEU 63 HA LEU 63 12.376 -1.323 -1.800 489 HB2 LEU 63 HB2 LEU 63 10.796 -0.445 -3.367 490 HB3 LEU 63 HB1 LEU 63 11.484 0.908 -2.511 491 HG LEU 63 HG LEU 63 13.058 1.063 -4.557 492 HD11 LEU 63 HD11 LEU 63 11.965 0.526 -6.610 493 HD12 LEU 63 HD12 LEU 63 10.622 -0.212 -5.722 494 HD13 LEU 63 HD13 LEU 63 12.232 -0.928 -5.638 495 HD21 LEU 63 HD21 LEU 63 11.408 2.574 -5.572 496 HD22 LEU 63 HD22 LEU 63 11.702 2.803 -3.844 497 HD23 LEU 63 HD23 LEU 63 10.227 1.987 -4.379 498 H GLN 64 H GLN 64 14.731 -0.496 -4.266 499 HA GLN 64 HA GLN 64 13.921 -2.507 -6.058 500 HB2 GLN 64 HB2 GLN 64 15.875 -2.007 -7.357 501 HB3 GLN 64 HB1 GLN 64 15.198 -0.515 -6.697 502 HG2 GLN 64 HG2 GLN 64 16.822 -0.416 -5.034 503 HG3 GLN 64 HG1 GLN 64 17.525 -1.962 -5.503 504 HE21 GLN 64 HE21 GLN 64 17.225 -1.319 -8.391 505 HE22 GLN 64 HE22 GLN 64 18.485 -0.195 -8.730 506 H GLU 65 H GLU 65 15.905 -2.616 -3.257 507 HA GLU 65 HA GLU 65 17.226 -5.030 -3.905 508 HB2 GLU 65 HB2 GLU 65 16.569 -3.948 -1.167 509 HB3 GLU 65 HB1 GLU 65 17.692 -5.255 -1.495 510 HG2 GLU 65 HG2 GLU 65 19.033 -3.627 -2.844 511 HG3 GLU 65 HG1 GLU 65 17.972 -2.359 -2.230 512 H VAL 66 H VAL 66 14.079 -4.249 -2.882 513 HA VAL 66 HA VAL 66 13.313 -6.823 -1.836 514 HB VAL 66 HB VAL 66 11.518 -4.639 -2.948 515 HG11 VAL 66 HG11 VAL 66 9.833 -5.492 -1.419 516 HG12 VAL 66 HG12 VAL 66 10.953 -6.734 -0.858 517 HG13 VAL 66 HG13 VAL 66 10.382 -6.751 -2.527 518 HG21 VAL 66 HG21 VAL 66 12.593 -4.873 -0.145 519 HG22 VAL 66 HG22 VAL 66 11.349 -3.737 -0.692 520 HG23 VAL 66 HG23 VAL 66 12.979 -3.627 -1.337 521 H GLU 67 H GLU 67 11.876 -8.245 -2.931 522 HA GLU 67 HA GLU 67 12.468 -9.235 -5.343 523 HB2 GLU 67 HB2 GLU 67 9.784 -9.131 -4.004 524 HB3 GLU 67 HB1 GLU 67 10.117 -10.159 -5.384 525 HG2 GLU 67 HG2 GLU 67 10.376 -11.595 -3.621 526 HG3 GLU 67 HG1 GLU 67 12.010 -11.025 -3.989 527 H LYS 68 H LYS 68 11.824 -9.041 -7.422 528 HA LYS 68 HA LYS 68 11.524 -6.391 -8.342 529 HB2 LYS 68 HB2 LYS 68 11.223 -7.354 -10.607 530 HB3 LYS 68 HB1 LYS 68 12.661 -7.903 -9.765 531 HG2 LYS 68 HG2 LYS 68 11.647 -10.013 -9.291 532 HG3 LYS 68 HG1 LYS 68 10.097 -9.475 -9.953 533 HD2 LYS 68 HD2 LYS 68 12.626 -9.540 -11.551 534 HD3 LYS 68 HD1 LYS 68 11.577 -10.953 -11.423 535 HE2 LYS 68 HE2 LYS 68 10.708 -8.238 -12.441 536 HE3 LYS 68 HE1 LYS 68 11.199 -9.573 -13.471 537 HZ1 LYS 68 HZ1 LYS 68 8.837 -9.574 -11.638 538 HZ2 LYS 68 HZ2 LYS 68 9.365 -10.883 -12.524 539 HZ3 LYS 68 HZ3 LYS 68 8.820 -9.524 -13.322 540 H GLN 69 H GLN 69 9.181 -8.841 -7.836 541 HA GLN 69 HA GLN 69 7.042 -7.438 -9.186 542 HB2 GLN 69 HB2 GLN 69 5.620 -9.226 -8.127 543 HB3 GLN 69 HB1 GLN 69 6.888 -9.808 -9.198 544 HG2 GLN 69 HG2 GLN 69 8.258 -10.449 -7.344 545 HG3 GLN 69 HG1 GLN 69 7.170 -9.666 -6.205 546 HE21 GLN 69 HE21 GLN 69 5.347 -10.686 -5.594 547 HE22 GLN 69 HE22 GLN 69 4.979 -12.327 -5.978 548 H CYS 70 H CYS 70 8.577 -7.133 -6.255 549 HA CYS 70 HA CYS 70 6.159 -6.246 -4.865 550 HB2 CYS 70 HB2 CYS 70 8.754 -7.247 -3.798 551 HB3 CYS 70 HB1 CYS 70 7.354 -6.822 -2.813 552 H GLN 71 H GLN 71 8.991 -5.189 -6.289 553 HA GLN 71 HA GLN 71 9.850 -3.016 -4.700 554 HB2 GLN 71 HB2 GLN 71 9.764 -3.414 -7.666 555 HB3 GLN 71 HB1 GLN 71 10.594 -2.069 -6.878 556 HG2 GLN 71 HG2 GLN 71 12.102 -3.531 -5.855 557 HG3 GLN 71 HG1 GLN 71 11.232 -4.972 -6.416 558 HE21 GLN 71 HE21 GLN 71 13.994 -4.376 -6.977 559 HE22 GLN 71 HE22 GLN 71 14.149 -4.175 -8.676 560 H CYS 72 H CYS 72 7.399 -3.254 -7.194 561 HA CYS 72 HA CYS 72 6.653 -0.519 -6.940 562 HB2 CYS 72 HB2 CYS 72 4.732 -1.319 -8.399 563 HB3 CYS 72 HB1 CYS 72 6.373 -1.377 -9.040 564 H GLU 73 H GLU 73 5.764 -3.485 -5.510 565 HA GLU 73 HA GLU 73 3.256 -2.624 -4.608 566 HB2 GLU 73 HB2 GLU 73 5.021 -4.805 -3.597 567 HB3 GLU 73 HB1 GLU 73 3.345 -4.611 -3.128 568 HG2 GLU 73 HG2 GLU 73 4.362 -5.150 -5.929 569 HG3 GLU 73 HG1 GLU 73 3.538 -6.304 -4.889 570 H ALA 74 H ALA 74 6.522 -2.473 -3.435 571 HA ALA 74 HA ALA 74 6.133 -1.788 -0.821 572 HB1 ALA 74 HB1 ALA 74 8.239 -0.727 -2.713 573 HB2 ALA 74 HB2 ALA 74 8.332 -2.255 -1.861 574 HB3 ALA 74 HB3 ALA 74 8.348 -0.741 -0.954 575 H ILE 75 H ILE 75 5.760 -0.003 -3.775 576 HA ILE 75 HA ILE 75 5.786 2.633 -2.719 577 HB ILE 75 HB ILE 75 4.379 1.748 -5.233 578 HG12 ILE 75 HG12 ILE 75 6.608 0.815 -5.367 579 HG13 ILE 75 HG11 ILE 75 6.495 2.195 -6.450 580 HG21 ILE 75 HG21 ILE 75 4.927 4.001 -6.005 581 HG22 ILE 75 HG22 ILE 75 5.692 4.332 -4.453 582 HG23 ILE 75 HG23 ILE 75 3.959 4.018 -4.531 583 HD11 ILE 75 HD11 ILE 75 7.848 2.052 -3.781 584 HD12 ILE 75 HD12 ILE 75 7.645 3.539 -4.720 585 HD13 ILE 75 HD13 ILE 75 8.588 2.190 -5.380 586 H LYS 76 H LYS 76 3.384 0.130 -3.110 587 HA LYS 76 HA LYS 76 1.084 1.833 -3.061 588 HB2 LYS 76 HB2 LYS 76 1.206 -1.090 -2.277 589 HB3 LYS 76 HB1 LYS 76 -0.171 -0.204 -2.911 590 HG2 LYS 76 HG2 LYS 76 2.326 -0.862 -4.458 591 HG3 LYS 76 HG1 LYS 76 0.813 -1.769 -4.550 592 HD2 LYS 76 HD2 LYS 76 -0.302 0.191 -5.453 593 HD3 LYS 76 HD1 LYS 76 1.170 1.143 -5.254 594 HE2 LYS 76 HE2 LYS 76 0.881 0.409 -7.580 595 HE3 LYS 76 HE1 LYS 76 2.337 -0.269 -6.860 596 HZ1 LYS 76 HZ1 LYS 76 1.049 -1.844 -8.203 597 HZ2 LYS 76 HZ2 LYS 76 -0.243 -1.736 -7.153 598 HZ3 LYS 76 HZ3 LYS 76 1.240 -2.388 -6.635 599 H GLN 77 H GLN 77 2.993 -0.057 -0.902 600 HA GLN 77 HA GLN 77 1.425 0.140 1.426 601 HB2 GLN 77 HB2 GLN 77 4.412 -0.088 1.411 602 HB3 GLN 77 HB1 GLN 77 3.285 -0.662 2.627 603 HG2 GLN 77 HG2 GLN 77 2.424 -2.166 0.598 604 HG3 GLN 77 HG1 GLN 77 3.995 -1.778 0.000 605 HE21 GLN 77 HE21 GLN 77 5.329 -1.579 2.506 606 HE22 GLN 77 HE22 GLN 77 5.519 -3.198 3.088 607 H VAL 78 H VAL 78 4.000 2.092 0.047 608 HA VAL 78 HA VAL 78 4.518 3.829 2.140 609 HB VAL 78 HB VAL 78 4.359 4.711 -0.764 610 HG11 VAL 78 HG11 VAL 78 4.497 6.507 0.836 611 HG12 VAL 78 HG12 VAL 78 5.959 6.387 -0.149 612 HG13 VAL 78 HG13 VAL 78 5.956 5.781 1.516 613 HG21 VAL 78 HG21 VAL 78 6.732 3.601 0.695 614 HG22 VAL 78 HG22 VAL 78 6.703 4.187 -0.970 615 HG23 VAL 78 HG23 VAL 78 5.799 2.735 -0.519 616 H VAL 79 H VAL 79 2.073 3.902 -0.419 617 HA VAL 79 HA VAL 79 1.025 6.447 0.221 618 HB VAL 79 HB VAL 79 -0.421 4.170 -1.149 619 HG11 VAL 79 HG11 VAL 79 -1.886 5.970 -0.453 620 HG12 VAL 79 HG12 VAL 79 -1.740 5.950 -2.213 621 HG13 VAL 79 HG13 VAL 79 -0.861 7.150 -1.265 622 HG21 VAL 79 HG21 VAL 79 1.672 4.566 -2.286 623 HG22 VAL 79 HG22 VAL 79 1.353 6.300 -2.349 624 HG23 VAL 79 HG23 VAL 79 0.346 5.181 -3.274 625 H GLU 80 H GLU 80 0.092 3.167 0.988 626 HA GLU 80 HA GLU 80 -2.233 3.710 2.415 627 HB2 GLU 80 HB2 GLU 80 -0.298 1.427 2.752 628 HB3 GLU 80 HB1 GLU 80 -1.910 1.489 3.453 629 HG2 GLU 80 HG2 GLU 80 -2.864 1.583 1.189 630 HG3 GLU 80 HG1 GLU 80 -1.239 1.480 0.514 631 H GLN 81 H GLN 81 1.074 3.310 3.686 632 HA GLN 81 HA GLN 81 0.230 3.863 6.388 633 HB2 GLN 81 HB2 GLN 81 2.632 3.865 6.939 634 HB3 GLN 81 HB1 GLN 81 2.162 2.436 6.038 635 HG2 GLN 81 HG2 GLN 81 3.056 3.556 3.973 636 HG3 GLN 81 HG1 GLN 81 3.640 4.835 5.020 637 HE21 GLN 81 HE21 GLN 81 4.388 3.061 7.201 638 HE22 GLN 81 HE22 GLN 81 5.815 2.263 6.642 639 H ALA 82 H ALA 82 1.380 5.831 3.755 640 HA ALA 82 HA ALA 82 1.985 8.073 5.392 641 HB1 ALA 82 HB1 ALA 82 1.488 7.938 2.420 642 HB2 ALA 82 HB2 ALA 82 3.050 7.757 3.224 643 HB3 ALA 82 HB3 ALA 82 2.197 9.302 3.286 644 H GLN 83 H GLN 83 -0.821 7.037 3.534 645 HA GLN 83 HA GLN 83 -2.253 9.456 3.941 646 HB2 GLN 83 HB2 GLN 83 -4.214 8.276 3.050 647 HB3 GLN 83 HB1 GLN 83 -2.805 7.935 2.063 648 HG2 GLN 83 HG2 GLN 83 -2.566 5.775 3.307 649 HG3 GLN 83 HG1 GLN 83 -4.105 6.121 4.080 650 HE21 GLN 83 HE21 GLN 83 -5.001 4.252 3.205 651 HE22 GLN 83 HE22 GLN 83 -5.439 4.130 1.546 652 H LYS 84 H LYS 84 -2.022 6.428 5.660 653 HA LYS 84 HA LYS 84 -4.207 6.994 7.410 654 HB2 LYS 84 HB2 LYS 84 -3.559 4.977 8.630 655 HB3 LYS 84 HB1 LYS 84 -3.595 4.679 6.904 656 HG2 LYS 84 HG2 LYS 84 -1.637 3.613 7.403 657 HG3 LYS 84 HG1 LYS 84 -1.029 5.252 7.135 658 HD2 LYS 84 HD2 LYS 84 0.005 4.547 9.100 659 HD3 LYS 84 HD1 LYS 84 -1.331 5.615 9.571 660 HE2 LYS 84 HE2 LYS 84 -1.236 3.646 11.020 661 HE3 LYS 84 HE1 LYS 84 -2.724 3.693 10.059 662 HZ1 LYS 84 HZ1 LYS 84 -0.337 2.013 9.431 663 HZ2 LYS 84 HZ2 LYS 84 -1.795 2.023 8.589 664 HZ3 LYS 84 HZ3 LYS 84 -1.747 1.475 10.159 665 H GLN 85 H GLN 85 -0.802 7.690 7.525 666 HA GLN 85 HA GLN 85 -0.829 8.279 10.318 667 HB2 GLN 85 HB2 GLN 85 1.459 8.949 10.055 668 HB3 GLN 85 HB1 GLN 85 1.153 7.614 8.936 669 HG2 GLN 85 HG2 GLN 85 0.993 9.113 7.075 670 HG3 GLN 85 HG1 GLN 85 1.150 10.499 8.140 671 HE21 GLN 85 HE21 GLN 85 3.265 9.287 9.725 672 HE22 GLN 85 HE22 GLN 85 4.676 9.305 8.731 673 H LEU 86 H LEU 86 -1.428 10.083 7.410 674 HA LEU 86 HA LEU 86 -1.459 12.616 8.797 675 HB2 LEU 86 HB2 LEU 86 -1.431 11.730 6.019 676 HB3 LEU 86 HB1 LEU 86 -2.469 13.112 6.263 677 HG LEU 86 HG LEU 86 -0.205 13.718 5.561 678 HD11 LEU 86 HD11 LEU 86 -0.809 14.614 8.366 679 HD12 LEU 86 HD12 LEU 86 -1.672 15.139 6.938 680 HD13 LEU 86 HD13 LEU 86 0.054 15.512 7.101 681 HD21 LEU 86 HD21 LEU 86 1.093 11.990 6.649 682 HD22 LEU 86 HD22 LEU 86 0.598 12.586 8.233 683 HD23 LEU 86 HD23 LEU 86 1.630 13.577 7.211 684 H GLN 87 H GLN 87 -3.765 10.371 7.476 685 HA GLN 87 HA GLN 87 -6.082 11.905 7.604 686 HB2 GLN 87 HB2 GLN 87 -5.843 9.746 6.468 687 HB3 GLN 87 HB1 GLN 87 -5.743 8.946 8.025 688 HG2 GLN 87 HG2 GLN 87 -8.009 9.611 8.529 689 HG3 GLN 87 HG1 GLN 87 -8.113 10.474 6.992 690 HE21 GLN 87 HE21 GLN 87 -8.096 9.299 5.094 691 HE22 GLN 87 HE22 GLN 87 -8.543 7.624 5.063 692 H GLN 88 H GLN 88 -4.429 10.055 10.070 693 HA GLN 88 HA GLN 88 -6.537 10.389 12.023 694 HB2 GLN 88 HB2 GLN 88 -5.052 9.210 13.537 695 HB3 GLN 88 HB1 GLN 88 -5.184 8.379 11.984 696 HG2 GLN 88 HG2 GLN 88 -3.025 9.320 11.316 697 HG3 GLN 88 HG1 GLN 88 -2.890 10.102 12.887 698 HE21 GLN 88 HE21 GLN 88 -2.838 7.127 11.175 699 HE22 GLN 88 HE22 GLN 88 -2.089 6.173 12.410 700 H GLY 89 H GLY 89 -4.278 12.364 10.835 701 HA2 GLY 89 HA2 GLY 89 -3.564 13.683 13.342 702 HA3 GLY 89 HA1 GLY 89 -2.939 14.096 11.744 703 H GLN 90 H GLN 90 -4.589 14.995 10.242 704 HA GLN 90 HA GLN 90 -6.794 16.377 11.507 705 HB2 GLN 90 HB2 GLN 90 -6.081 18.616 10.931 706 HB3 GLN 90 HB1 GLN 90 -4.807 17.824 11.846 707 HG2 GLN 90 HG2 GLN 90 -4.804 18.203 8.854 708 HG3 GLN 90 HG1 GLN 90 -3.936 19.224 10.003 709 HE21 GLN 90 HE21 GLN 90 -2.074 18.358 10.993 710 HE22 GLN 90 HE22 GLN 90 -1.306 16.945 10.365 711 H GLY 91 H GLY 91 -4.914 15.690 8.633 712 HA2 GLY 91 HA2 GLY 91 -6.891 14.807 6.996 713 HA3 GLY 91 HA1 GLY 91 -6.786 16.556 6.742 714 H GLY 92 H GLY 92 -5.051 17.444 5.762 715 HA2 GLY 92 HA2 GLY 92 -2.997 17.652 4.913 716 HA3 GLY 92 HA1 GLY 92 -2.505 16.149 5.636 717 H GLN 93 H GLN 93 -4.680 14.760 4.278 718 HA GLN 93 HA GLN 93 -3.371 13.639 2.166 719 HB2 GLN 93 HB2 GLN 93 -6.329 13.962 2.530 720 HB3 GLN 93 HB1 GLN 93 -5.573 12.824 1.408 721 HG2 GLN 93 HG2 GLN 93 -4.564 11.665 3.314 722 HG3 GLN 93 HG1 GLN 93 -5.321 12.818 4.412 723 HE21 GLN 93 HE21 GLN 93 -6.893 11.549 1.549 724 HE22 GLN 93 HE22 GLN 93 -8.081 10.636 2.380 725 H GLN 94 H GLN 94 -5.421 16.487 2.081 726 HA GLN 94 HA GLN 94 -5.389 16.742 -0.773 727 HB2 GLN 94 HB2 GLN 94 -6.319 19.004 -0.394 728 HB3 GLN 94 HB1 GLN 94 -7.217 17.740 0.434 729 HG2 GLN 94 HG2 GLN 94 -6.233 18.332 2.531 730 HG3 GLN 94 HG1 GLN 94 -5.124 19.433 1.729 731 HE21 GLN 94 HE21 GLN 94 -7.183 19.869 3.812 732 HE22 GLN 94 HE22 GLN 94 -8.189 21.136 3.191 733 H GLN 95 H GLN 95 -3.475 18.223 1.820 734 HA GLN 95 HA GLN 95 -2.079 19.897 -0.034 735 HB2 GLN 95 HB2 GLN 95 -0.625 20.511 1.883 736 HB3 GLN 95 HB1 GLN 95 -2.348 20.762 2.225 737 HG2 GLN 95 HG2 GLN 95 -2.356 18.733 3.474 738 HG3 GLN 95 HG1 GLN 95 -0.647 18.474 3.144 739 HE21 GLN 95 HE21 GLN 95 0.896 19.803 4.178 740 HE22 GLN 95 HE22 GLN 95 0.479 20.724 5.570 741 H VAL 96 H VAL 96 -1.384 17.061 1.796 742 HA VAL 96 HA VAL 96 1.249 16.532 0.887 743 HB VAL 96 HB VAL 96 -0.877 14.634 1.972 744 HG11 VAL 96 HG11 VAL 96 2.068 14.199 1.631 745 HG12 VAL 96 HG12 VAL 96 0.752 13.347 0.813 746 HG13 VAL 96 HG13 VAL 96 0.964 13.175 2.559 747 HG21 VAL 96 HG21 VAL 96 0.329 14.829 4.085 748 HG22 VAL 96 HG22 VAL 96 -0.359 16.352 3.564 749 HG23 VAL 96 HG23 VAL 96 1.381 16.062 3.377 750 H GLN 97 H GLN 97 -1.844 16.137 -0.588 751 HA GLN 97 HA GLN 97 -1.584 14.023 -2.303 752 HB2 GLN 97 HB2 GLN 97 -3.603 15.383 -2.218 753 HB3 GLN 97 HB1 GLN 97 -2.746 16.704 -3.005 754 HG2 GLN 97 HG2 GLN 97 -2.431 15.292 -4.997 755 HG3 GLN 97 HG1 GLN 97 -3.359 14.014 -4.216 756 HE21 GLN 97 HE21 GLN 97 -3.464 17.149 -5.625 757 HE22 GLN 97 HE22 GLN 97 -5.171 17.246 -5.826 758 H GLN 98 H GLN 98 -0.246 17.265 -2.853 759 HA GLN 98 HA GLN 98 0.666 16.725 -5.475 760 HB2 GLN 98 HB2 GLN 98 1.906 18.785 -5.374 761 HB3 GLN 98 HB1 GLN 98 0.344 19.024 -4.611 762 HG2 GLN 98 HG2 GLN 98 1.361 18.812 -2.435 763 HG3 GLN 98 HG1 GLN 98 2.939 18.552 -3.170 764 HE21 GLN 98 HE21 GLN 98 3.881 20.345 -2.282 765 HE22 GLN 98 HE22 GLN 98 3.464 21.959 -2.727 766 H MET 99 H MET 99 1.902 15.734 -2.485 767 HA MET 99 HA MET 99 4.570 15.334 -3.619 768 HB2 MET 99 HB2 MET 99 3.976 16.358 -1.205 769 HB3 MET 99 HB1 MET 99 3.884 14.699 -0.789 770 HG2 MET 99 HG2 MET 99 6.051 15.495 -0.306 771 HG3 MET 99 HG1 MET 99 6.054 14.195 -1.510 772 HE1 MET 99 HE1 MET 99 8.586 16.058 -0.897 773 HE2 MET 99 HE2 MET 99 9.164 16.381 -2.531 774 HE3 MET 99 HE3 MET 99 8.605 14.766 -2.096 775 H VAL 100 H VAL 100 2.056 13.721 -1.834 776 HA VAL 100 HA VAL 100 3.179 11.157 -2.109 777 HB VAL 100 HB VAL 100 1.478 11.625 -0.392 778 HG11 VAL 100 HG11 VAL 100 -0.007 13.024 -1.608 779 HG12 VAL 100 HG12 VAL 100 -0.904 11.654 -0.943 780 HG13 VAL 100 HG13 VAL 100 -0.485 11.694 -2.661 781 HG21 VAL 100 HG21 VAL 100 0.182 9.533 -0.591 782 HG22 VAL 100 HG22 VAL 100 1.905 9.330 -0.960 783 HG23 VAL 100 HG23 VAL 100 0.726 9.421 -2.272 784 H LYS 101 H LYS 101 1.298 13.001 -4.367 785 HA LYS 101 HA LYS 101 0.589 10.884 -6.064 786 HB2 LYS 101 HB2 LYS 101 0.194 12.574 -7.771 787 HB3 LYS 101 HB1 LYS 101 -0.376 13.126 -6.200 788 HG2 LYS 101 HG2 LYS 101 0.563 15.030 -7.018 789 HG3 LYS 101 HG1 LYS 101 1.896 14.331 -6.098 790 HD2 LYS 101 HD2 LYS 101 2.895 13.469 -8.136 791 HD3 LYS 101 HD1 LYS 101 1.511 14.032 -9.076 792 HE2 LYS 101 HE2 LYS 101 2.053 16.352 -8.330 793 HE3 LYS 101 HE1 LYS 101 3.523 15.720 -7.600 794 HZ1 LYS 101 HZ1 LYS 101 3.976 16.632 -9.744 795 HZ2 LYS 101 HZ2 LYS 101 2.819 15.680 -10.483 796 HZ3 LYS 101 HZ3 LYS 101 4.217 14.976 -9.852 797 H LYS 102 H LYS 102 3.607 12.408 -5.473 798 HA LYS 102 HA LYS 102 4.934 11.632 -7.839 799 HB2 LYS 102 HB2 LYS 102 5.885 12.275 -5.070 800 HB3 LYS 102 HB1 LYS 102 6.981 11.861 -6.383 801 HG2 LYS 102 HG2 LYS 102 6.492 13.806 -7.568 802 HG3 LYS 102 HG1 LYS 102 4.990 14.075 -6.682 803 HD2 LYS 102 HD2 LYS 102 6.832 15.628 -6.048 804 HD3 LYS 102 HD1 LYS 102 6.186 14.690 -4.707 805 HE2 LYS 102 HE2 LYS 102 8.541 14.771 -4.517 806 HE3 LYS 102 HE1 LYS 102 8.079 13.140 -4.924 807 HZ1 LYS 102 HZ1 LYS 102 8.766 13.527 -7.231 808 HZ2 LYS 102 HZ2 LYS 102 10.007 13.868 -6.164 809 HZ3 LYS 102 HZ3 LYS 102 9.142 15.137 -6.855 810 H ALA 103 H ALA 103 4.029 9.974 -4.926 811 HA ALA 103 HA ALA 103 5.766 7.737 -5.207 812 HB1 ALA 103 HB1 ALA 103 3.027 7.840 -3.928 813 HB2 ALA 103 HB2 ALA 103 4.551 8.170 -3.108 814 HB3 ALA 103 HB3 ALA 103 4.213 6.551 -3.721 815 H GLN 104 H GLN 104 2.740 8.651 -6.603 816 HA GLN 104 HA GLN 104 2.079 6.144 -7.775 817 HB2 GLN 104 HB2 GLN 104 1.285 8.959 -8.550 818 HB3 GLN 104 HB1 GLN 104 0.477 7.504 -9.105 819 HG2 GLN 104 HG2 GLN 104 0.680 8.369 -6.227 820 HG3 GLN 104 HG1 GLN 104 -0.715 8.687 -7.244 821 HE21 GLN 104 HE21 GLN 104 -2.060 6.994 -7.763 822 HE22 GLN 104 HE22 GLN 104 -2.030 5.472 -6.956 823 H MET 105 H MET 105 4.294 8.617 -8.465 824 HA MET 105 HA MET 105 4.651 7.921 -11.268 825 HB2 MET 105 HB2 MET 105 6.315 9.764 -9.637 826 HB3 MET 105 HB1 MET 105 6.175 9.716 -11.378 827 HG2 MET 105 HG2 MET 105 3.833 10.388 -11.234 828 HG3 MET 105 HG1 MET 105 3.974 10.527 -9.501 829 HE1 MET 105 HE1 MET 105 6.701 11.596 -12.174 830 HE2 MET 105 HE2 MET 105 6.271 13.283 -12.435 831 HE3 MET 105 HE3 MET 105 5.169 12.004 -12.941 832 H LEU 106 H LEU 106 5.864 7.121 -8.194 833 HA LEU 106 HA LEU 106 8.556 6.706 -8.682 834 HB2 LEU 106 HB2 LEU 106 6.750 6.014 -6.538 835 HB3 LEU 106 HB1 LEU 106 7.925 4.747 -6.807 836 HG LEU 106 HG LEU 106 9.754 6.351 -6.488 837 HD11 LEU 106 HD11 LEU 106 9.322 8.589 -5.632 838 HD12 LEU 106 HD12 LEU 106 7.596 8.363 -5.907 839 HD13 LEU 106 HD13 LEU 106 8.712 8.380 -7.270 840 HD21 LEU 106 HD21 LEU 106 8.978 5.123 -4.570 841 HD22 LEU 106 HD22 LEU 106 7.723 6.325 -4.268 842 HD23 LEU 106 HD23 LEU 106 9.424 6.758 -4.087 843 HA PRO 107 HA PRO 107 7.725 2.145 -9.985 844 HB2 PRO 107 HB2 PRO 107 5.388 1.862 -11.434 845 HB3 PRO 107 HB1 PRO 107 5.608 1.301 -9.773 846 HG2 PRO 107 HG2 PRO 107 4.302 3.783 -10.785 847 HG3 PRO 107 HG1 PRO 107 3.851 2.748 -9.418 848 HD2 PRO 107 HD2 PRO 107 5.084 5.106 -9.072 849 HD3 PRO 107 HD1 PRO 107 5.405 3.724 -8.009 850 H ASN 108 H ASN 108 6.805 5.107 -11.677 851 HA ASN 108 HA ASN 108 7.525 4.011 -14.208 852 HB2 ASN 108 HB2 ASN 108 6.868 6.820 -13.316 853 HB3 ASN 108 HB1 ASN 108 6.976 6.229 -14.961 854 HD21 ASN 108 HD21 ASN 108 5.063 6.490 -12.149 855 HD22 ASN 108 HD22 ASN 108 3.580 5.929 -12.788 856 H GLN 109 H GLN 109 8.623 6.311 -11.779 857 HA GLN 109 HA GLN 109 10.952 7.215 -13.123 858 HB2 GLN 109 HB2 GLN 109 10.179 7.341 -10.213 859 HB3 GLN 109 HB1 GLN 109 11.579 8.147 -10.895 860 HG2 GLN 109 HG2 GLN 109 8.717 8.654 -11.671 861 HG3 GLN 109 HG1 GLN 109 9.681 9.664 -10.597 862 HE21 GLN 109 HE21 GLN 109 11.398 10.845 -11.469 863 HE22 GLN 109 HE22 GLN 109 11.507 11.195 -13.146 864 H CYS 110 H CYS 110 10.437 4.789 -10.607 865 HA CYS 110 HA CYS 110 13.280 4.242 -10.394 866 HB2 CYS 110 HB2 CYS 110 11.545 4.259 -8.476 867 HB3 CYS 110 HB1 CYS 110 10.981 2.769 -9.123 868 H ASN 111 H ASN 111 10.932 3.476 -12.520 869 HA ASN 111 HA ASN 111 10.558 1.946 -14.111 870 HB2 ASN 111 HB2 ASN 111 12.907 2.573 -14.711 871 HB3 ASN 111 HB1 ASN 111 13.480 1.254 -13.709 872 HD21 ASN 111 HD21 ASN 111 11.897 2.108 -16.668 873 HD22 ASN 111 HD22 ASN 111 12.053 0.569 -17.438 874 H LEU 112 H LEU 112 9.404 1.174 -12.193 875 HA LEU 112 HA LEU 112 10.221 -1.495 -11.338 876 HB2 LEU 112 HB2 LEU 112 7.881 0.154 -10.395 877 HB3 LEU 112 HB1 LEU 112 8.520 -1.299 -9.648 878 HG LEU 112 HG LEU 112 9.933 1.330 -9.875 879 HD11 LEU 112 HD11 LEU 112 8.743 -0.043 -7.467 880 HD12 LEU 112 HD12 LEU 112 8.277 1.532 -8.138 881 HD13 LEU 112 HD13 LEU 112 9.840 1.315 -7.379 882 HD21 LEU 112 HD21 LEU 112 10.869 -1.259 -8.648 883 HD22 LEU 112 HD22 LEU 112 11.702 0.298 -8.517 884 HD23 LEU 112 HD23 LEU 112 11.513 -0.464 -10.081 885 H GLN 113 H GLN 113 8.654 -3.175 -11.314 886 HA GLN 113 HA GLN 113 7.595 -3.591 -13.949 887 HB2 GLN 113 HB2 GLN 113 7.598 -5.347 -11.506 888 HB3 GLN 113 HB1 GLN 113 7.294 -5.867 -13.162 889 HG2 GLN 113 HG2 GLN 113 9.772 -4.525 -12.274 890 HG3 GLN 113 HG1 GLN 113 9.610 -6.288 -12.253 891 HE21 GLN 113 HE21 GLN 113 11.328 -6.501 -13.812 892 HE22 GLN 113 HE22 GLN 113 11.068 -6.102 -15.459 893 H CYS 114 H CYS 114 6.106 -1.655 -12.809 894 HA CYS 114 HA CYS 114 3.451 -2.735 -12.705 895 HB2 CYS 114 HB2 CYS 114 4.927 -1.579 -10.467 896 HB3 CYS 114 HB1 CYS 114 3.167 -1.310 -10.475 897 H SER 115 H SER 115 1.914 -0.908 -12.908 898 HA SER 115 HA SER 115 3.186 1.637 -13.571 899 HB2 SER 115 HB2 SER 115 1.145 0.217 -15.283 900 HB3 SER 115 HB1 SER 115 1.891 1.780 -15.621 901 HG SER 115 HG SER 115 3.907 0.289 -15.282 902 H ILE 116 H ILE 116 1.963 3.411 -12.995 903 HA ILE 116 HA ILE 116 -0.668 2.883 -11.863 904 HB ILE 116 HB ILE 116 1.223 5.208 -11.380 905 HG12 ILE 116 HG12 ILE 116 1.945 3.086 -10.337 906 HG13 ILE 116 HG11 ILE 116 1.567 4.331 -9.159 907 HG21 ILE 116 HG21 ILE 116 -1.047 5.977 -11.218 908 HG22 ILE 116 HG22 ILE 116 -0.406 5.820 -9.572 909 HG23 ILE 116 HG23 ILE 116 -1.486 4.595 -10.219 910 HD11 ILE 116 HD11 ILE 116 -0.624 3.221 -8.792 911 HD12 ILE 116 HD12 ILE 116 0.765 2.214 -8.401 912 HD13 ILE 116 HD13 ILE 116 -0.121 1.940 -9.906 Start of MODEL 20 1 H1 GLY 1 H GLY 1 -4.169 -8.392 7.351 2 H2 GLY 1 HT1 GLY 1 -5.451 -7.475 7.441 3 H3 GLY 1 HT2 GLY 1 -4.560 -7.714 8.831 4 HA2 GLY 1 HA1 GLY 1 -2.731 -6.419 7.961 5 HA3 GLY 1 HA2 GLY 1 -3.695 -6.119 6.512 6 H ARG 2 H ARG 2 -4.898 -4.409 6.464 7 HA ARG 2 HA ARG 2 -5.083 -2.756 8.815 8 HB2 ARG 2 HB2 ARG 2 -6.091 -2.388 6.000 9 HB3 ARG 2 HB1 ARG 2 -6.308 -1.210 7.286 10 HG2 ARG 2 HG2 ARG 2 -3.865 -1.080 7.524 11 HG3 ARG 2 HG1 ARG 2 -3.735 -2.194 6.158 12 HD2 ARG 2 HD2 ARG 2 -5.282 0.361 5.915 13 HD3 ARG 2 HD1 ARG 2 -3.538 0.349 5.706 14 HE ARG 2 HE ARG 2 -3.766 -0.974 3.810 15 HH11 ARG 2 HH11 ARG 2 -6.998 -0.181 5.093 16 HH12 ARG 2 HH12 ARG 2 -7.728 -0.125 3.582 17 HH21 ARG 2 HH21 ARG 2 -4.834 -0.853 1.698 18 HH22 ARG 2 HH22 ARG 2 -6.500 -0.505 1.625 19 H CYS 3 H CYS 3 -7.208 -1.757 9.399 20 HA CYS 3 HA CYS 3 -9.554 -3.268 8.746 21 HB2 CYS 3 HB2 CYS 3 -8.341 -4.337 10.792 22 HB3 CYS 3 HB1 CYS 3 -8.978 -2.912 11.670 23 H THR 4 H THR 4 -11.319 -2.172 9.378 24 HA THR 4 HA THR 4 -10.920 0.675 9.341 25 HB THR 4 HB THR 4 -13.406 0.854 9.340 26 HG1 THR 4 HG1 THR 4 -14.635 -0.938 9.397 27 HG21 THR 4 HG21 THR 4 -12.305 -1.183 7.399 28 HG22 THR 4 HG22 THR 4 -12.248 0.572 7.204 29 HG23 THR 4 HG23 THR 4 -13.798 -0.271 7.181 30 H LYS 5 H LYS 5 -11.616 2.150 11.018 31 HA LYS 5 HA LYS 5 -11.511 0.815 13.583 32 HB2 LYS 5 HB2 LYS 5 -11.147 3.763 12.953 33 HB3 LYS 5 HB1 LYS 5 -11.217 3.118 14.580 34 HG2 LYS 5 HG2 LYS 5 -8.920 3.426 14.087 35 HG3 LYS 5 HG1 LYS 5 -9.217 1.699 14.004 36 HD2 LYS 5 HD2 LYS 5 -7.845 2.114 12.159 37 HD3 LYS 5 HD1 LYS 5 -9.458 2.078 11.461 38 HE2 LYS 5 HE2 LYS 5 -7.928 4.592 12.193 39 HE3 LYS 5 HE1 LYS 5 -8.032 3.917 10.578 40 HZ1 LYS 5 HZ1 LYS 5 -10.475 4.312 10.691 41 HZ2 LYS 5 HZ2 LYS 5 -9.551 5.695 10.773 42 HZ3 LYS 5 HZ3 LYS 5 -10.242 5.099 12.177 43 H SER 6 H SER 6 -13.549 -0.056 13.174 44 HA SER 6 HA SER 6 -15.650 1.648 14.225 45 HB2 SER 6 HB2 SER 6 -15.793 1.681 11.706 46 HB3 SER 6 HB1 SER 6 -15.966 -0.071 11.740 47 HG SER 6 HG SER 6 -17.991 0.371 11.876 48 H ILE 7 H ILE 7 -17.530 0.120 14.786 49 HA ILE 7 HA ILE 7 -16.517 -2.537 15.436 50 HB ILE 7 HB ILE 7 -18.011 -0.736 17.383 51 HG12 ILE 7 HG12 ILE 7 -15.207 -1.881 17.491 52 HG13 ILE 7 HG11 ILE 7 -15.601 -0.223 17.072 53 HG21 ILE 7 HG21 ILE 7 -18.727 -3.073 17.596 54 HG22 ILE 7 HG22 ILE 7 -17.772 -2.580 18.994 55 HG23 ILE 7 HG23 ILE 7 -17.046 -3.584 17.740 56 HD11 ILE 7 HD11 ILE 7 -14.803 -0.409 19.318 57 HD12 ILE 7 HD12 ILE 7 -16.088 -1.559 19.713 58 HD13 ILE 7 HD13 ILE 7 -16.486 0.122 19.309 59 HA PRO 8 HA PRO 8 -16.937 -4.488 15.240 60 HB2 PRO 8 HB2 PRO 8 -17.479 -6.239 13.258 61 HB3 PRO 8 HB1 PRO 8 -18.273 -6.325 14.837 62 HG2 PRO 8 HG2 PRO 8 -19.283 -5.205 12.261 63 HG3 PRO 8 HG1 PRO 8 -20.138 -6.181 13.468 64 HD2 PRO 8 HD2 PRO 8 -20.376 -3.470 13.275 65 HD3 PRO 8 HD1 PRO 8 -20.594 -4.376 14.786 66 HA PRO 9 HA PRO 9 -14.538 -2.574 12.063 67 HB2 PRO 9 HB2 PRO 9 -12.201 -3.821 12.418 68 HB3 PRO 9 HB1 PRO 9 -12.854 -2.717 13.631 69 HG2 PRO 9 HG2 PRO 9 -12.916 -5.703 13.561 70 HG3 PRO 9 HG1 PRO 9 -12.528 -4.617 14.910 71 HD2 PRO 9 HD2 PRO 9 -14.994 -5.779 14.566 72 HD3 PRO 9 HD1 PRO 9 -14.752 -4.220 15.381 73 H ILE 10 H ILE 10 -13.649 -2.919 10.031 74 HA ILE 10 HA ILE 10 -14.298 -5.512 8.796 75 HB ILE 10 HB ILE 10 -13.930 -2.812 7.464 76 HG12 ILE 10 HG12 ILE 10 -15.823 -2.689 8.985 77 HG13 ILE 10 HG11 ILE 10 -16.384 -2.652 7.316 78 HG21 ILE 10 HG21 ILE 10 -15.069 -3.859 5.560 79 HG22 ILE 10 HG22 ILE 10 -15.157 -5.377 6.452 80 HG23 ILE 10 HG23 ILE 10 -13.588 -4.718 5.988 81 HD11 ILE 10 HD11 ILE 10 -16.993 -5.018 7.502 82 HD12 ILE 10 HD12 ILE 10 -17.818 -4.032 8.713 83 HD13 ILE 10 HD13 ILE 10 -16.435 -5.020 9.174 84 H CYS 11 H CYS 11 -12.439 -6.642 8.508 85 HA CYS 11 HA CYS 11 -10.013 -5.044 8.375 86 HB2 CYS 11 HB2 CYS 11 -10.316 -7.929 9.226 87 HB3 CYS 11 HB1 CYS 11 -8.818 -7.019 9.179 88 H PHE 12 H PHE 12 -8.396 -5.552 6.978 89 HA PHE 12 HA PHE 12 -9.302 -6.867 4.543 90 HB2 PHE 12 HB2 PHE 12 -7.321 -4.677 5.099 91 HB3 PHE 12 HB1 PHE 12 -7.378 -5.506 3.549 92 HD1 PHE 12 HD1 PHE 12 -9.455 -5.461 2.255 93 HD2 PHE 12 HD2 PHE 12 -8.860 -2.956 5.616 94 HE1 PHE 12 HE1 PHE 12 -11.240 -4.055 1.464 95 HE2 PHE 12 HE2 PHE 12 -10.682 -1.484 4.846 96 HZ PHE 12 HZ PHE 12 -11.891 -2.020 2.761 97 HA PRO 13 HA PRO 13 -6.354 -10.200 4.900 98 HB2 PRO 13 HB2 PRO 13 -5.451 -9.405 2.173 99 HB3 PRO 13 HB1 PRO 13 -5.976 -10.987 2.753 100 HG2 PRO 13 HG2 PRO 13 -7.569 -9.505 1.206 101 HG3 PRO 13 HG1 PRO 13 -8.219 -10.480 2.531 102 HD2 PRO 13 HD2 PRO 13 -7.868 -7.520 2.373 103 HD3 PRO 13 HD1 PRO 13 -9.084 -8.467 3.217 104 H ASP 14 H ASP 14 -5.078 -7.534 3.019 105 HA ASP 14 HA ASP 14 -3.071 -7.165 5.051 106 HB2 ASP 14 HB2 ASP 14 -1.952 -8.576 3.421 107 HB3 ASP 14 HB1 ASP 14 -2.398 -7.468 2.129 108 H GLY 15 H GLY 15 -3.448 -5.894 1.805 109 HA2 GLY 15 HA2 GLY 15 -4.065 -3.283 3.013 110 HA3 GLY 15 HA1 GLY 15 -3.204 -3.503 1.487 111 H LEU 16 H LEU 16 -4.364 -3.043 -0.104 112 HA LEU 16 HA LEU 16 -7.266 -3.361 0.209 113 HB2 LEU 16 HB2 LEU 16 -6.029 -1.080 -0.309 114 HB3 LEU 16 HB1 LEU 16 -6.044 -1.697 -1.945 115 HG LEU 16 HG LEU 16 -7.881 -0.117 -1.501 116 HD11 LEU 16 HD11 LEU 16 -9.732 -1.443 -2.384 117 HD12 LEU 16 HD12 LEU 16 -8.837 -2.921 -2.015 118 HD13 LEU 16 HD13 LEU 16 -8.218 -1.796 -3.222 119 HD21 LEU 16 HD21 LEU 16 -8.155 -0.640 0.861 120 HD22 LEU 16 HD22 LEU 16 -8.858 -2.196 0.449 121 HD23 LEU 16 HD23 LEU 16 -9.692 -0.704 0.002 122 H ASP 17 H ASP 17 -4.716 -3.627 -2.109 123 HA ASP 17 HA ASP 17 -6.097 -5.885 -3.347 124 HB2 ASP 17 HB2 ASP 17 -6.657 -3.928 -4.702 125 HB3 ASP 17 HB1 ASP 17 -4.959 -3.497 -4.815 126 H ASN 18 H ASN 18 -4.651 -7.321 -2.590 127 HA ASN 18 HA ASN 18 -1.789 -6.836 -3.138 128 HB2 ASN 18 HB2 ASN 18 -3.048 -8.900 -1.302 129 HB3 ASN 18 HB1 ASN 18 -1.326 -8.653 -1.527 130 HD21 ASN 18 HD21 ASN 18 -0.360 -6.861 -0.573 131 HD22 ASN 18 HD22 ASN 18 -1.124 -5.960 0.678 132 HA PRO 19 HA PRO 19 -3.019 -9.863 -6.301 133 HB2 PRO 19 HB2 PRO 19 -0.775 -8.865 -7.864 134 HB3 PRO 19 HB1 PRO 19 -2.498 -8.801 -8.232 135 HG2 PRO 19 HG2 PRO 19 -1.055 -6.593 -7.618 136 HG3 PRO 19 HG1 PRO 19 -2.771 -6.756 -7.207 137 HD2 PRO 19 HD2 PRO 19 -0.363 -7.149 -5.468 138 HD3 PRO 19 HD1 PRO 19 -1.895 -6.314 -5.111 139 H ARG 20 H ARG 20 0.247 -9.362 -5.045 140 HA ARG 20 HA ARG 20 0.989 -12.063 -6.024 141 HB2 ARG 20 HB2 ARG 20 2.879 -10.149 -4.615 142 HB3 ARG 20 HB1 ARG 20 3.299 -11.599 -5.483 143 HG2 ARG 20 HG2 ARG 20 4.016 -9.749 -6.779 144 HG3 ARG 20 HG1 ARG 20 2.587 -10.405 -7.588 145 HD2 ARG 20 HD2 ARG 20 1.211 -8.709 -6.701 146 HD3 ARG 20 HD1 ARG 20 2.473 -8.168 -5.614 147 HE ARG 20 HE ARG 20 3.567 -7.161 -7.360 148 HH11 ARG 20 HH11 ARG 20 0.859 -8.870 -8.783 149 HH12 ARG 20 HH12 ARG 20 0.368 -7.613 -9.818 150 HH21 ARG 20 HH21 ARG 20 2.865 -5.346 -8.766 151 HH22 ARG 20 HH22 ARG 20 1.569 -5.569 -9.826 152 H GLY 21 H GLY 21 1.185 -10.042 -3.205 153 HA2 GLY 21 HA2 GLY 21 0.629 -10.772 -0.991 154 HA3 GLY 21 HA1 GLY 21 1.147 -12.417 -1.473 155 H CYS 22 H CYS 22 2.498 -9.255 -1.918 156 HA CYS 22 HA CYS 22 5.089 -10.211 -1.201 157 HB2 CYS 22 HB2 CYS 22 4.016 -7.650 -2.266 158 HB3 CYS 22 HB1 CYS 22 5.687 -7.853 -1.759 159 H GLN 23 H GLN 23 6.109 -9.869 0.621 160 HA GLN 23 HA GLN 23 4.839 -8.087 2.525 161 HB2 GLN 23 HB2 GLN 23 5.980 -9.349 4.296 162 HB3 GLN 23 HB1 GLN 23 4.912 -10.367 3.342 163 HG2 GLN 23 HG2 GLN 23 6.859 -11.193 2.113 164 HG3 GLN 23 HG1 GLN 23 7.907 -10.215 3.126 165 HE21 GLN 23 HE21 GLN 23 9.005 -11.900 4.008 166 HE22 GLN 23 HE22 GLN 23 8.312 -13.006 5.141 167 H ILE 24 H ILE 24 5.709 -6.238 2.255 168 HA ILE 24 HA ILE 24 8.627 -6.070 2.075 169 HB ILE 24 HB ILE 24 6.720 -3.778 1.459 170 HG12 ILE 24 HG12 ILE 24 7.469 -4.277 -1.004 171 HG13 ILE 24 HG11 ILE 24 7.758 -5.900 -0.397 172 HG21 ILE 24 HG21 ILE 24 8.627 -2.841 0.273 173 HG22 ILE 24 HG22 ILE 24 9.606 -4.228 0.738 174 HG23 ILE 24 HG23 ILE 24 9.012 -3.114 1.978 175 HD11 ILE 24 HD11 ILE 24 5.151 -4.421 -0.334 176 HD12 ILE 24 HD12 ILE 24 5.421 -6.060 0.271 177 HD13 ILE 24 HD13 ILE 24 5.595 -5.709 -1.452 178 H ARG 25 H ARG 25 9.674 -5.116 3.745 179 HA ARG 25 HA ARG 25 8.197 -4.659 6.091 180 HB2 ARG 25 HB2 ARG 25 10.327 -3.964 7.104 181 HB3 ARG 25 HB1 ARG 25 10.467 -5.515 6.283 182 HG2 ARG 25 HG2 ARG 25 11.488 -4.146 4.351 183 HG3 ARG 25 HG1 ARG 25 11.543 -2.835 5.517 184 HD2 ARG 25 HD2 ARG 25 12.875 -4.160 7.031 185 HD3 ARG 25 HD1 ARG 25 12.808 -5.530 5.927 186 HE ARG 25 HE ARG 25 14.335 -3.076 5.629 187 HH11 ARG 25 HH11 ARG 25 13.358 -6.179 4.176 188 HH12 ARG 25 HH12 ARG 25 14.706 -6.288 3.154 189 HH21 ARG 25 HH21 ARG 25 16.192 -3.235 4.168 190 HH22 ARG 25 HH22 ARG 25 16.341 -4.573 3.134 191 H ILE 26 H ILE 26 7.090 -3.038 6.553 192 HA ILE 26 HA ILE 26 7.044 -0.785 4.871 193 HB ILE 26 HB ILE 26 5.287 0.098 6.365 194 HG12 ILE 26 HG12 ILE 26 4.274 -1.643 7.995 195 HG13 ILE 26 HG11 ILE 26 5.823 -2.455 7.921 196 HG21 ILE 26 HG21 ILE 26 5.023 -2.717 5.374 197 HG22 ILE 26 HG22 ILE 26 4.777 -1.239 4.441 198 HG23 ILE 26 HG23 ILE 26 3.658 -1.665 5.742 199 HD11 ILE 26 HD11 ILE 26 5.327 0.339 8.935 200 HD12 ILE 26 HD12 ILE 26 6.895 -0.463 8.865 201 HD13 ILE 26 HD13 ILE 26 5.629 -1.095 9.918 202 H GLN 27 H GLN 27 8.976 -1.456 7.383 203 HA GLN 27 HA GLN 27 9.243 1.190 8.437 204 HB2 GLN 27 HB2 GLN 27 11.053 0.302 9.749 205 HB3 GLN 27 HB1 GLN 27 9.738 -0.872 9.713 206 HG2 GLN 27 HG2 GLN 27 10.933 -2.146 7.991 207 HG3 GLN 27 HG1 GLN 27 12.252 -0.986 8.073 208 HE21 GLN 27 HE21 GLN 27 13.746 -2.474 8.707 209 HE22 GLN 27 HE22 GLN 27 13.745 -3.211 10.267 210 H GLN 28 H GLN 28 10.433 -0.528 5.680 211 HA GLN 28 HA GLN 28 12.773 1.126 5.396 212 HB2 GLN 28 HB2 GLN 28 13.313 -0.155 3.472 213 HB3 GLN 28 HB1 GLN 28 12.494 -1.286 4.540 214 HG2 GLN 28 HG2 GLN 28 10.495 -1.160 3.286 215 HG3 GLN 28 HG1 GLN 28 11.129 0.151 2.292 216 HE21 GLN 28 HE21 GLN 28 12.931 -2.707 3.259 217 HE22 GLN 28 HE22 GLN 28 13.048 -3.353 1.664 218 H LEU 29 H LEU 29 9.465 1.223 4.589 219 HA LEU 29 HA LEU 29 9.839 3.227 2.506 220 HB2 LEU 29 HB2 LEU 29 7.299 2.077 3.621 221 HB3 LEU 29 HB1 LEU 29 7.351 3.363 2.441 222 HG LEU 29 HG LEU 29 6.942 1.569 1.152 223 HD11 LEU 29 HD11 LEU 29 8.837 2.747 0.317 224 HD12 LEU 29 HD12 LEU 29 8.943 1.038 -0.134 225 HD13 LEU 29 HD13 LEU 29 9.935 1.684 1.187 226 HD21 LEU 29 HD21 LEU 29 8.812 -0.040 2.862 227 HD22 LEU 29 HD22 LEU 29 7.988 -0.665 1.425 228 HD23 LEU 29 HD23 LEU 29 7.051 -0.133 2.829 229 H ASN 30 H ASN 30 9.823 3.224 5.722 230 HA ASN 30 HA ASN 30 8.169 5.333 6.427 231 HB2 ASN 30 HB2 ASN 30 9.353 3.892 8.103 232 HB3 ASN 30 HB1 ASN 30 10.845 4.736 7.724 233 HD21 ASN 30 HD21 ASN 30 11.138 6.861 8.478 234 HD22 ASN 30 HD22 ASN 30 10.063 7.579 9.629 235 H HIS 31 H HIS 31 11.317 5.372 4.904 236 HA HIS 31 HA HIS 31 11.868 8.123 5.354 237 HB2 HIS 31 HB2 HIS 31 13.460 6.206 4.333 238 HB3 HIS 31 HB1 HIS 31 12.779 6.856 2.835 239 HD1 HIS 31 HD1 HIS 31 15.717 7.258 4.602 240 HD2 HIS 31 HD2 HIS 31 12.918 9.924 3.070 241 HE1 HIS 31 HE1 HIS 31 16.921 9.437 4.323 242 H CYS 32 H CYS 32 10.642 6.428 2.453 243 HA CYS 32 HA CYS 32 10.034 8.640 0.910 244 HB2 CYS 32 HB2 CYS 32 9.498 5.813 0.877 245 HB3 CYS 32 HB1 CYS 32 8.041 6.688 0.421 246 H GLN 33 H GLN 33 7.918 6.804 3.111 247 HA GLN 33 HA GLN 33 5.624 8.194 3.000 248 HB2 GLN 33 HB2 GLN 33 5.835 6.190 4.193 249 HB3 GLN 33 HB1 GLN 33 7.052 6.851 5.265 250 HG2 GLN 33 HG2 GLN 33 5.403 8.502 5.960 251 HG3 GLN 33 HG1 GLN 33 4.133 7.575 5.155 252 HE21 GLN 33 HE21 GLN 33 6.926 6.463 7.008 253 HE22 GLN 33 HE22 GLN 33 6.057 5.686 8.274 254 H MET 34 H MET 34 8.248 8.789 5.385 255 HA MET 34 HA MET 34 6.874 10.992 6.520 256 HB2 MET 34 HB2 MET 34 8.780 11.380 7.919 257 HB3 MET 34 HB1 MET 34 8.475 9.642 7.820 258 HG2 MET 34 HG2 MET 34 10.353 9.446 6.249 259 HG3 MET 34 HG1 MET 34 10.647 11.178 6.395 260 HE1 MET 34 HE1 MET 34 13.187 10.745 7.066 261 HE2 MET 34 HE2 MET 34 12.935 9.010 6.882 262 HE3 MET 34 HE3 MET 34 13.690 9.642 8.343 263 H HIS 35 H HIS 35 9.328 10.727 4.149 264 HA HIS 35 HA HIS 35 9.972 13.510 4.126 265 HB2 HIS 35 HB2 HIS 35 11.333 11.459 3.221 266 HB3 HIS 35 HB1 HIS 35 10.442 11.774 1.738 267 HD1 HIS 35 HD1 HIS 35 10.575 14.943 1.876 268 HD2 HIS 35 HD2 HIS 35 13.734 12.324 2.499 269 HE1 HIS 35 HE1 HIS 35 12.682 16.280 1.426 270 H LEU 36 H LEU 36 7.639 11.511 2.414 271 HA LEU 36 HA LEU 36 6.932 13.669 0.641 272 HB2 LEU 36 HB2 LEU 36 5.663 10.984 1.048 273 HB3 LEU 36 HB1 LEU 36 5.118 12.152 -0.145 274 HG LEU 36 HG LEU 36 7.805 10.799 -0.040 275 HD11 LEU 36 HD11 LEU 36 6.038 9.302 -0.712 276 HD12 LEU 36 HD12 LEU 36 7.084 9.672 -2.082 277 HD13 LEU 36 HD13 LEU 36 5.505 10.447 -1.943 278 HD21 LEU 36 HD21 LEU 36 8.208 11.811 -2.248 279 HD22 LEU 36 HD22 LEU 36 8.059 13.015 -0.975 280 HD23 LEU 36 HD23 LEU 36 6.712 12.728 -2.082 281 H THR 37 H THR 37 5.741 12.472 3.704 282 HA THR 37 HA THR 37 3.460 14.165 3.361 283 HB THR 37 HB THR 37 2.841 13.522 5.677 284 HG1 THR 37 HG1 THR 37 4.583 11.531 6.027 285 HG21 THR 37 HG21 THR 37 2.172 12.100 3.822 286 HG22 THR 37 HG22 THR 37 2.562 11.115 5.231 287 HG23 THR 37 HG23 THR 37 3.712 11.252 3.905 288 H SER 38 H SER 38 6.612 14.585 4.141 289 HA SER 38 HA SER 38 6.328 16.934 5.803 290 HB2 SER 38 HB2 SER 38 8.168 15.332 6.195 291 HB3 SER 38 HB1 SER 38 8.743 15.593 4.556 292 HG SER 38 HG SER 38 8.965 17.146 6.819 293 H PHE 39 H PHE 39 6.949 19.012 5.084 294 HA PHE 39 HA PHE 39 7.418 19.350 2.244 295 HB2 PHE 39 HB2 PHE 39 5.405 20.824 3.933 296 HB3 PHE 39 HB1 PHE 39 6.089 21.537 2.477 297 HD1 PHE 39 HD1 PHE 39 5.956 20.127 0.354 298 HD2 PHE 39 HD2 PHE 39 3.475 19.496 3.762 299 HE1 PHE 39 HE1 PHE 39 4.327 18.974 -1.050 300 HE2 PHE 39 HE2 PHE 39 1.856 18.342 2.365 301 HZ PHE 39 HZ PHE 39 2.280 18.078 -0.065 302 H ASP 40 H ASP 40 8.531 21.272 1.761 303 HA ASP 40 HA ASP 40 10.220 22.126 4.012 304 HB2 ASP 40 HB2 ASP 40 11.223 20.811 1.998 305 HB3 ASP 40 HB1 ASP 40 11.024 22.308 1.113 306 H TYR 41 H TYR 41 11.266 24.362 3.248 307 HA TYR 41 HA TYR 41 8.837 26.007 3.191 308 HB2 TYR 41 HB2 TYR 41 10.031 27.620 4.549 309 HB3 TYR 41 HB1 TYR 41 10.156 25.967 5.178 310 HD1 TYR 41 HD1 TYR 41 12.052 28.643 3.505 311 HD2 TYR 41 HD2 TYR 41 12.236 24.856 5.408 312 HE1 TYR 41 HE1 TYR 41 14.477 28.800 3.550 313 HE2 TYR 41 HE2 TYR 41 14.682 25.001 5.468 314 HH TYR 41 HH TYR 41 16.318 27.928 4.798 315 H LYS 42 H LYS 42 12.023 25.694 1.734 316 HA LYS 42 HA LYS 42 11.631 28.215 0.396 317 HB2 LYS 42 HB2 LYS 42 13.859 28.152 -0.314 318 HB3 LYS 42 HB1 LYS 42 13.827 27.316 1.231 319 HG2 LYS 42 HG2 LYS 42 13.843 25.863 -1.411 320 HG3 LYS 42 HG1 LYS 42 15.309 26.307 -0.542 321 HD2 LYS 42 HD2 LYS 42 14.497 24.972 1.373 322 HD3 LYS 42 HD1 LYS 42 13.112 24.492 0.384 323 HE2 LYS 42 HE2 LYS 42 14.554 23.418 -1.218 324 HE3 LYS 42 HE1 LYS 42 15.988 24.027 -0.395 325 HZ1 LYS 42 HZ1 LYS 42 15.415 22.674 1.517 326 HZ2 LYS 42 HZ2 LYS 42 15.583 21.718 0.149 327 HZ3 LYS 42 HZ3 LYS 42 14.056 22.064 0.738 328 H LEU 43 H LEU 43 10.198 25.518 -0.100 329 HA LEU 43 HA LEU 43 10.435 25.099 -2.915 330 HB2 LEU 43 HB2 LEU 43 8.084 24.387 -1.173 331 HB3 LEU 43 HB1 LEU 43 8.540 23.651 -2.693 332 HG LEU 43 HG LEU 43 10.043 23.456 -0.111 333 HD11 LEU 43 HD11 LEU 43 9.370 21.101 -0.159 334 HD12 LEU 43 HD12 LEU 43 8.346 21.434 -1.565 335 HD13 LEU 43 HD13 LEU 43 8.021 22.218 -0.008 336 HD21 LEU 43 HD21 LEU 43 11.573 23.371 -1.975 337 HD22 LEU 43 HD22 LEU 43 10.588 22.140 -2.771 338 HD23 LEU 43 HD23 LEU 43 11.415 21.771 -1.254 339 H ARG 44 H ARG 44 10.281 27.534 -3.215 340 HA ARG 44 HA ARG 44 7.462 28.284 -3.808 341 HB2 ARG 44 HB2 ARG 44 9.758 30.185 -3.278 342 HB3 ARG 44 HB1 ARG 44 8.071 30.619 -3.495 343 HG2 ARG 44 HG2 ARG 44 9.244 29.084 -1.186 344 HG3 ARG 44 HG1 ARG 44 8.727 30.770 -1.161 345 HD2 ARG 44 HD2 ARG 44 6.431 30.089 -1.561 346 HD3 ARG 44 HD1 ARG 44 6.937 28.404 -1.704 347 HE ARG 44 HE ARG 44 7.369 29.917 0.763 348 HH11 ARG 44 HH11 ARG 44 5.940 27.108 -0.888 349 HH12 ARG 44 HH12 ARG 44 5.474 26.348 0.565 350 HH21 ARG 44 HH21 ARG 44 6.747 28.791 2.740 351 HH22 ARG 44 HH22 ARG 44 5.886 27.322 2.607 352 H MET 45 H MET 45 10.349 27.384 -5.015 353 HA MET 45 HA MET 45 9.741 28.259 -7.709 354 HB2 MET 45 HB2 MET 45 12.261 28.809 -7.934 355 HB3 MET 45 HB1 MET 45 11.197 30.025 -7.251 356 HG2 MET 45 HG2 MET 45 13.285 29.930 -5.984 357 HG3 MET 45 HG1 MET 45 11.928 29.412 -5.000 358 HE1 MET 45 HE1 MET 45 15.228 28.317 -6.849 359 HE2 MET 45 HE2 MET 45 14.020 27.364 -7.711 360 HE3 MET 45 HE3 MET 45 15.190 26.564 -6.664 361 H ALA 46 H ALA 46 9.882 25.821 -5.960 362 HA ALA 46 HA ALA 46 11.816 24.298 -7.514 363 HB1 ALA 46 HB1 ALA 46 12.848 24.801 -5.372 364 HB2 ALA 46 HB2 ALA 46 12.427 23.087 -5.493 365 HB3 ALA 46 HB3 ALA 46 11.427 24.172 -4.533 366 H VAL 47 H VAL 47 11.059 22.404 -8.142 367 HA VAL 47 HA VAL 47 8.561 21.406 -6.974 368 HB VAL 47 HB VAL 47 9.194 21.345 -9.956 369 HG11 VAL 47 HG11 VAL 47 7.834 19.470 -9.213 370 HG12 VAL 47 HG12 VAL 47 6.891 20.567 -10.220 371 HG13 VAL 47 HG13 VAL 47 6.687 20.583 -8.469 372 HG21 VAL 47 HG21 VAL 47 7.369 22.969 -10.256 373 HG22 VAL 47 HG22 VAL 47 8.686 23.636 -9.287 374 HG23 VAL 47 HG23 VAL 47 7.203 23.097 -8.504 375 H GLU 48 H GLU 48 10.883 20.499 -9.499 376 HA GLU 48 HA GLU 48 11.597 18.121 -7.954 377 HB2 GLU 48 HB2 GLU 48 11.036 18.302 -10.919 378 HB3 GLU 48 HB1 GLU 48 11.833 16.936 -10.157 379 HG2 GLU 48 HG2 GLU 48 9.084 17.881 -9.432 380 HG3 GLU 48 HG1 GLU 48 9.395 16.641 -10.638 381 H ASN 49 H ASN 49 13.497 18.910 -7.284 382 HA ASN 49 HA ASN 49 15.416 19.725 -9.349 383 HB2 ASN 49 HB2 ASN 49 15.195 20.701 -6.475 384 HB3 ASN 49 HB1 ASN 49 16.505 21.109 -7.575 385 HD21 ASN 49 HD21 ASN 49 16.161 22.635 -9.176 386 HD22 ASN 49 HD22 ASN 49 14.722 23.583 -9.248 387 HA PRO 50 HA PRO 50 17.802 16.171 -8.554 388 HB2 PRO 50 HB2 PRO 50 20.293 17.419 -7.998 389 HB3 PRO 50 HB1 PRO 50 19.736 16.772 -9.542 390 HG2 PRO 50 HG2 PRO 50 19.697 19.566 -8.534 391 HG3 PRO 50 HG1 PRO 50 19.858 18.973 -10.195 392 HD2 PRO 50 HD2 PRO 50 17.585 20.082 -9.343 393 HD3 PRO 50 HD1 PRO 50 17.557 18.686 -10.442 394 H LYS 51 H LYS 51 18.738 18.717 -6.214 395 HA LYS 51 HA LYS 51 19.558 16.715 -4.318 396 HB2 LYS 51 HB2 LYS 51 19.239 19.676 -3.896 397 HB3 LYS 51 HB1 LYS 51 19.971 18.521 -2.790 398 HG2 LYS 51 HG2 LYS 51 20.996 19.164 -5.551 399 HG3 LYS 51 HG1 LYS 51 21.651 19.792 -4.040 400 HD2 LYS 51 HD2 LYS 51 21.578 16.890 -4.887 401 HD3 LYS 51 HD1 LYS 51 22.993 17.933 -4.854 402 HE2 LYS 51 HE2 LYS 51 22.658 18.219 -2.403 403 HE3 LYS 51 HE1 LYS 51 21.345 17.049 -2.504 404 HZ1 LYS 51 HZ1 LYS 51 23.392 16.002 -1.790 405 HZ2 LYS 51 HZ2 LYS 51 24.187 16.515 -3.172 406 HZ3 LYS 51 HZ3 LYS 51 22.956 15.383 -3.294 407 H GLN 52 H GLN 52 16.606 17.892 -5.114 408 HA GLN 52 HA GLN 52 15.554 17.450 -2.434 409 HB2 GLN 52 HB2 GLN 52 14.179 18.404 -4.953 410 HB3 GLN 52 HB1 GLN 52 13.421 18.276 -3.368 411 HG2 GLN 52 HG2 GLN 52 14.911 19.939 -2.470 412 HG3 GLN 52 HG1 GLN 52 15.795 20.000 -3.990 413 HE21 GLN 52 HE21 GLN 52 15.448 22.130 -4.255 414 HE22 GLN 52 HE22 GLN 52 13.913 22.795 -4.695 415 H GLN 53 H GLN 53 15.858 16.078 -5.555 416 HA GLN 53 HA GLN 53 13.899 13.991 -5.129 417 HB2 GLN 53 HB2 GLN 53 15.948 14.360 -7.319 418 HB3 GLN 53 HB1 GLN 53 14.639 13.188 -7.322 419 HG2 GLN 53 HG2 GLN 53 13.007 15.003 -7.344 420 HG3 GLN 53 HG1 GLN 53 14.319 16.176 -7.313 421 HE21 GLN 53 HE21 GLN 53 12.640 13.843 -9.204 422 HE22 GLN 53 HE22 GLN 53 13.280 14.315 -10.729 423 H GLN 54 H GLN 54 16.566 14.523 -3.695 424 HA GLN 54 HA GLN 54 18.254 12.309 -3.966 425 HB2 GLN 54 HB2 GLN 54 19.077 12.894 -1.704 426 HB3 GLN 54 HB1 GLN 54 18.927 14.301 -2.752 427 HG2 GLN 54 HG2 GLN 54 16.911 14.967 -1.702 428 HG3 GLN 54 HG1 GLN 54 16.852 13.504 -0.752 429 HE21 GLN 54 HE21 GLN 54 19.886 15.096 -1.319 430 HE22 GLN 54 HE22 GLN 54 20.124 15.692 0.272 431 H HIS 55 H HIS 55 15.303 12.790 -2.208 432 HA HIS 55 HA HIS 55 15.393 10.455 -0.649 433 HB2 HIS 55 HB2 HIS 55 12.855 10.770 -0.467 434 HB3 HIS 55 HB1 HIS 55 13.864 12.075 0.127 435 HD1 HIS 55 HD1 HIS 55 11.942 13.812 -0.168 436 HD2 HIS 55 HD2 HIS 55 13.142 11.956 -3.657 437 HE1 HIS 55 HE1 HIS 55 10.900 15.135 -2.046 438 H LEU 56 H LEU 56 14.699 10.949 -3.945 439 HA LEU 56 HA LEU 56 13.271 8.478 -4.334 440 HB2 LEU 56 HB2 LEU 56 12.909 10.365 -5.885 441 HB3 LEU 56 HB1 LEU 56 14.600 10.371 -6.303 442 HG LEU 56 HG LEU 56 13.004 9.445 -8.040 443 HD11 LEU 56 HD11 LEU 56 15.362 8.993 -8.243 444 HD12 LEU 56 HD12 LEU 56 14.414 7.597 -8.753 445 HD13 LEU 56 HD13 LEU 56 15.205 7.599 -7.176 446 HD21 LEU 56 HD21 LEU 56 12.857 7.128 -6.138 447 HD22 LEU 56 HD22 LEU 56 12.264 7.133 -7.799 448 HD23 LEU 56 HD23 LEU 56 11.539 8.202 -6.597 449 H SER 57 H SER 57 16.566 9.644 -4.772 450 HA SER 57 HA SER 57 17.695 7.354 -5.811 451 HB2 SER 57 HB2 SER 57 18.960 9.238 -3.830 452 HB3 SER 57 HB1 SER 57 19.766 8.306 -5.098 453 HG SER 57 HG SER 57 18.545 9.487 -6.608 454 H LEU 58 H LEU 58 16.912 8.219 -2.516 455 HA LEU 58 HA LEU 58 18.229 5.956 -1.325 456 HB2 LEU 58 HB2 LEU 58 16.135 7.719 -0.061 457 HB3 LEU 58 HB1 LEU 58 17.341 6.739 0.726 458 HG LEU 58 HG LEU 58 17.974 9.123 -0.994 459 HD11 LEU 58 HD11 LEU 58 17.945 8.855 2.012 460 HD12 LEU 58 HD12 LEU 58 16.846 9.826 1.033 461 HD13 LEU 58 HD13 LEU 58 18.557 10.247 1.121 462 HD21 LEU 58 HD21 LEU 58 20.238 8.919 -0.023 463 HD22 LEU 58 HD22 LEU 58 19.782 7.512 -0.979 464 HD23 LEU 58 HD23 LEU 58 19.741 7.429 0.781 465 H CYS 59 H CYS 59 14.879 6.876 -1.969 466 HA CYS 59 HA CYS 59 13.742 4.593 -0.744 467 HB2 CYS 59 HB2 CYS 59 12.680 6.809 -1.057 468 HB3 CYS 59 HB1 CYS 59 12.514 6.479 -2.764 469 H CYS 60 H CYS 60 14.135 5.461 -4.299 470 HA CYS 60 HA CYS 60 13.293 3.221 -5.487 471 HB2 CYS 60 HB2 CYS 60 14.201 5.427 -6.402 472 HB3 CYS 60 HB1 CYS 60 15.804 4.701 -6.243 473 H ASN 61 H ASN 61 16.397 3.905 -3.973 474 HA ASN 61 HA ASN 61 17.659 1.493 -4.870 475 HB2 ASN 61 HB2 ASN 61 18.852 3.512 -4.413 476 HB3 ASN 61 HB1 ASN 61 18.510 3.404 -2.693 477 HD21 ASN 61 HD21 ASN 61 19.699 1.881 -1.459 478 HD22 ASN 61 HD22 ASN 61 21.087 1.083 -2.083 479 H GLN 62 H GLN 62 15.736 2.325 -2.174 480 HA GLN 62 HA GLN 62 16.558 0.029 -0.687 481 HB2 GLN 62 HB2 GLN 62 15.907 2.126 0.463 482 HB3 GLN 62 HB1 GLN 62 14.303 1.988 -0.220 483 HG2 GLN 62 HG2 GLN 62 14.305 1.330 2.101 484 HG3 GLN 62 HG1 GLN 62 13.903 -0.038 1.067 485 HE21 GLN 62 HE21 GLN 62 16.281 1.351 3.178 486 HE22 GLN 62 HE22 GLN 62 17.224 -0.069 3.376 487 H LEU 63 H LEU 63 13.675 1.059 -2.461 488 HA LEU 63 HA LEU 63 12.145 -1.257 -1.977 489 HB2 LEU 63 HB2 LEU 63 10.602 -0.387 -3.608 490 HB3 LEU 63 HB1 LEU 63 11.256 0.978 -2.744 491 HG LEU 63 HG LEU 63 12.900 1.090 -4.770 492 HD11 LEU 63 HD11 LEU 63 11.832 0.525 -6.865 493 HD12 LEU 63 HD12 LEU 63 10.493 -0.226 -5.977 494 HD13 LEU 63 HD13 LEU 63 12.112 -0.903 -5.858 495 HD21 LEU 63 HD21 LEU 63 11.504 2.876 -4.111 496 HD22 LEU 63 HD22 LEU 63 10.068 2.050 -4.705 497 HD23 LEU 63 HD23 LEU 63 11.292 2.632 -5.851 498 H GLN 64 H GLN 64 14.480 -0.465 -4.406 499 HA GLN 64 HA GLN 64 13.877 -2.506 -6.272 500 HB2 GLN 64 HB2 GLN 64 15.921 -1.868 -7.384 501 HB3 GLN 64 HB1 GLN 64 15.135 -0.425 -6.746 502 HG2 GLN 64 HG2 GLN 64 16.593 -0.389 -4.880 503 HG3 GLN 64 HG1 GLN 64 17.419 -1.845 -5.438 504 HE21 GLN 64 HE21 GLN 64 19.363 -0.818 -5.588 505 HE22 GLN 64 HE22 GLN 64 19.729 0.347 -6.803 506 H GLU 65 H GLU 65 15.459 -2.620 -3.271 507 HA GLU 65 HA GLU 65 17.037 -4.941 -3.919 508 HB2 GLU 65 HB2 GLU 65 16.536 -3.494 -1.332 509 HB3 GLU 65 HB1 GLU 65 17.558 -4.922 -1.465 510 HG2 GLU 65 HG2 GLU 65 17.997 -2.346 -2.949 511 HG3 GLU 65 HG1 GLU 65 18.795 -2.809 -1.446 512 H VAL 66 H VAL 66 13.912 -4.268 -3.085 513 HA VAL 66 HA VAL 66 13.297 -6.822 -1.826 514 HB VAL 66 HB VAL 66 11.319 -4.893 -3.086 515 HG11 VAL 66 HG11 VAL 66 11.006 -6.773 -0.756 516 HG12 VAL 66 HG12 VAL 66 10.424 -7.045 -2.396 517 HG13 VAL 66 HG13 VAL 66 9.752 -5.728 -1.429 518 HG21 VAL 66 HG21 VAL 66 12.466 -4.684 -0.303 519 HG22 VAL 66 HG22 VAL 66 11.092 -3.760 -0.930 520 HG23 VAL 66 HG23 VAL 66 12.684 -3.547 -1.641 521 H GLU 67 H GLU 67 11.807 -8.329 -2.939 522 HA GLU 67 HA GLU 67 12.567 -9.325 -5.345 523 HB2 GLU 67 HB2 GLU 67 9.907 -9.342 -4.012 524 HB3 GLU 67 HB1 GLU 67 10.196 -10.271 -5.477 525 HG2 GLU 67 HG2 GLU 67 11.998 -11.395 -4.338 526 HG3 GLU 67 HG1 GLU 67 11.596 -10.539 -2.839 527 H LYS 68 H LYS 68 11.893 -9.145 -7.474 528 HA LYS 68 HA LYS 68 11.329 -6.512 -8.279 529 HB2 LYS 68 HB2 LYS 68 11.292 -7.364 -10.579 530 HB3 LYS 68 HB1 LYS 68 12.721 -7.865 -9.682 531 HG2 LYS 68 HG2 LYS 68 11.350 -10.039 -9.291 532 HG3 LYS 68 HG1 LYS 68 10.408 -9.482 -10.677 533 HD2 LYS 68 HD2 LYS 68 13.395 -9.923 -10.614 534 HD3 LYS 68 HD1 LYS 68 12.222 -11.026 -11.317 535 HE2 LYS 68 HE2 LYS 68 12.647 -8.187 -12.251 536 HE3 LYS 68 HE1 LYS 68 13.456 -9.579 -12.956 537 HZ1 LYS 68 HZ1 LYS 68 11.570 -9.051 -14.272 538 HZ2 LYS 68 HZ2 LYS 68 10.558 -8.968 -12.961 539 HZ3 LYS 68 HZ3 LYS 68 11.159 -10.465 -13.444 540 H GLN 69 H GLN 69 9.281 -9.208 -7.792 541 HA GLN 69 HA GLN 69 7.019 -8.009 -9.109 542 HB2 GLN 69 HB2 GLN 69 5.730 -9.872 -8.149 543 HB3 GLN 69 HB1 GLN 69 7.216 -10.445 -8.894 544 HG2 GLN 69 HG2 GLN 69 8.271 -10.560 -6.678 545 HG3 GLN 69 HG1 GLN 69 6.771 -10.016 -5.953 546 HE21 GLN 69 HE21 GLN 69 6.924 -12.267 -8.615 547 HE22 GLN 69 HE22 GLN 69 6.353 -13.630 -7.738 548 H CYS 70 H CYS 70 8.577 -7.545 -6.168 549 HA CYS 70 HA CYS 70 6.185 -6.620 -4.751 550 HB2 CYS 70 HB2 CYS 70 8.853 -7.456 -3.658 551 HB3 CYS 70 HB1 CYS 70 7.434 -7.024 -2.707 552 H GLN 71 H GLN 71 8.922 -5.525 -6.340 553 HA GLN 71 HA GLN 71 9.692 -3.272 -4.807 554 HB2 GLN 71 HB2 GLN 71 9.845 -3.898 -7.743 555 HB3 GLN 71 HB1 GLN 71 10.484 -2.405 -7.056 556 HG2 GLN 71 HG2 GLN 71 12.027 -3.603 -5.712 557 HG3 GLN 71 HG1 GLN 71 11.289 -5.142 -6.134 558 HE21 GLN 71 HE21 GLN 71 13.284 -5.871 -6.794 559 HE22 GLN 71 HE22 GLN 71 13.984 -5.417 -8.313 560 H CYS 72 H CYS 72 7.212 -3.656 -7.304 561 HA CYS 72 HA CYS 72 6.429 -0.946 -6.994 562 HB2 CYS 72 HB2 CYS 72 4.543 -1.475 -8.376 563 HB3 CYS 72 HB1 CYS 72 6.031 -2.115 -9.077 564 H GLU 73 H GLU 73 5.743 -3.876 -5.396 565 HA GLU 73 HA GLU 73 3.278 -3.107 -4.335 566 HB2 GLU 73 HB2 GLU 73 5.245 -5.201 -3.467 567 HB3 GLU 73 HB1 GLU 73 3.679 -5.049 -2.702 568 HG2 GLU 73 HG2 GLU 73 4.251 -5.685 -5.578 569 HG3 GLU 73 HG1 GLU 73 3.584 -6.761 -4.356 570 H ALA 74 H ALA 74 6.600 -2.704 -3.388 571 HA ALA 74 HA ALA 74 6.233 -1.833 -0.768 572 HB1 ALA 74 HB1 ALA 74 8.388 -1.089 -2.746 573 HB2 ALA 74 HB2 ALA 74 8.348 -2.535 -1.738 574 HB3 ALA 74 HB3 ALA 74 8.487 -0.946 -0.980 575 H ILE 75 H ILE 75 5.765 -0.365 -3.836 576 HA ILE 75 HA ILE 75 5.828 2.381 -3.112 577 HB ILE 75 HB ILE 75 4.309 1.023 -5.333 578 HG12 ILE 75 HG12 ILE 75 6.570 0.368 -5.550 579 HG13 ILE 75 HG11 ILE 75 6.288 1.618 -6.761 580 HG21 ILE 75 HG21 ILE 75 5.250 3.867 -5.161 581 HG22 ILE 75 HG22 ILE 75 3.603 3.304 -4.897 582 HG23 ILE 75 HG23 ILE 75 4.341 3.129 -6.486 583 HD11 ILE 75 HD11 ILE 75 7.741 1.831 -4.152 584 HD12 ILE 75 HD12 ILE 75 7.390 3.215 -5.197 585 HD13 ILE 75 HD13 ILE 75 8.420 1.893 -5.778 586 H LYS 76 H LYS 76 3.491 -0.176 -2.959 587 HA LYS 76 HA LYS 76 1.119 1.467 -2.940 588 HB2 LYS 76 HB2 LYS 76 1.432 -1.348 -1.862 589 HB3 LYS 76 HB1 LYS 76 -0.037 -0.590 -2.452 590 HG2 LYS 76 HG2 LYS 76 2.341 -1.254 -4.172 591 HG3 LYS 76 HG1 LYS 76 0.946 -2.309 -3.992 592 HD2 LYS 76 HD2 LYS 76 -0.468 -0.502 -4.923 593 HD3 LYS 76 HD1 LYS 76 0.974 0.495 -5.119 594 HE2 LYS 76 HE2 LYS 76 0.364 -0.584 -7.235 595 HE3 LYS 76 HE1 LYS 76 1.924 -1.149 -6.656 596 HZ1 LYS 76 HZ1 LYS 76 -0.591 -2.665 -6.186 597 HZ2 LYS 76 HZ2 LYS 76 1.008 -3.243 -6.064 598 HZ3 LYS 76 HZ3 LYS 76 0.366 -2.885 -7.541 599 H GLN 77 H GLN 77 3.193 -0.171 -0.819 600 HA GLN 77 HA GLN 77 2.016 0.078 1.691 601 HB2 GLN 77 HB2 GLN 77 4.944 0.156 1.052 602 HB3 GLN 77 HB1 GLN 77 4.206 -0.350 2.563 603 HG2 GLN 77 HG2 GLN 77 3.373 -1.713 0.109 604 HG3 GLN 77 HG1 GLN 77 4.956 -2.124 0.683 605 HE21 GLN 77 HE21 GLN 77 2.172 -1.315 2.761 606 HE22 GLN 77 HE22 GLN 77 1.961 -2.905 3.352 607 H VAL 78 H VAL 78 4.311 2.191 -0.017 608 HA VAL 78 HA VAL 78 4.716 4.046 2.018 609 HB VAL 78 HB VAL 78 4.549 4.902 -0.872 610 HG11 VAL 78 HG11 VAL 78 6.174 6.536 -0.266 611 HG12 VAL 78 HG12 VAL 78 6.244 5.854 1.367 612 HG13 VAL 78 HG13 VAL 78 4.763 6.628 0.808 613 HG21 VAL 78 HG21 VAL 78 5.949 2.891 -0.785 614 HG22 VAL 78 HG22 VAL 78 6.927 3.649 0.476 615 HG23 VAL 78 HG23 VAL 78 6.894 4.335 -1.147 616 H VAL 79 H VAL 79 2.288 3.868 -0.546 617 HA VAL 79 HA VAL 79 1.168 6.437 -0.084 618 HB VAL 79 HB VAL 79 -0.212 4.042 -1.313 619 HG11 VAL 79 HG11 VAL 79 -0.692 6.993 -1.665 620 HG12 VAL 79 HG12 VAL 79 -1.672 5.892 -0.713 621 HG13 VAL 79 HG13 VAL 79 -1.586 5.695 -2.473 622 HG21 VAL 79 HG21 VAL 79 1.884 4.394 -2.456 623 HG22 VAL 79 HG22 VAL 79 1.534 6.114 -2.647 624 HG23 VAL 79 HG23 VAL 79 0.556 4.911 -3.497 625 H GLU 80 H GLU 80 0.356 3.197 0.818 626 HA GLU 80 HA GLU 80 -2.019 3.549 2.187 627 HB2 GLU 80 HB2 GLU 80 -1.064 1.371 1.580 628 HB3 GLU 80 HB1 GLU 80 0.223 1.613 2.743 629 HG2 GLU 80 HG2 GLU 80 -1.459 1.638 4.543 630 HG3 GLU 80 HG1 GLU 80 -2.699 1.274 3.343 631 H GLN 81 H GLN 81 1.286 3.599 3.488 632 HA GLN 81 HA GLN 81 0.287 4.138 6.099 633 HB2 GLN 81 HB2 GLN 81 2.622 4.203 6.828 634 HB3 GLN 81 HB1 GLN 81 2.246 2.768 5.892 635 HG2 GLN 81 HG2 GLN 81 3.308 3.854 3.920 636 HG3 GLN 81 HG1 GLN 81 3.761 5.196 4.965 637 HE21 GLN 81 HE21 GLN 81 3.764 1.848 5.988 638 HE22 GLN 81 HE22 GLN 81 5.482 1.752 6.146 639 H ALA 82 H ALA 82 1.651 6.103 3.530 640 HA ALA 82 HA ALA 82 2.070 8.365 5.190 641 HB1 ALA 82 HB1 ALA 82 2.454 9.586 3.109 642 HB2 ALA 82 HB2 ALA 82 1.793 8.235 2.187 643 HB3 ALA 82 HB3 ALA 82 3.297 8.035 3.088 644 H GLN 83 H GLN 83 -0.627 7.207 3.262 645 HA GLN 83 HA GLN 83 -2.044 9.660 3.558 646 HB2 GLN 83 HB2 GLN 83 -3.944 8.567 2.539 647 HB3 GLN 83 HB1 GLN 83 -2.489 8.147 1.649 648 HG2 GLN 83 HG2 GLN 83 -2.448 5.964 2.707 649 HG3 GLN 83 HG1 GLN 83 -3.852 6.390 3.675 650 HE21 GLN 83 HE21 GLN 83 -3.522 7.293 0.332 651 HE22 GLN 83 HE22 GLN 83 -4.749 6.252 -0.277 652 H LYS 84 H LYS 84 -1.856 6.616 5.303 653 HA LYS 84 HA LYS 84 -4.174 7.182 6.837 654 HB2 LYS 84 HB2 LYS 84 -3.659 5.224 8.161 655 HB3 LYS 84 HB1 LYS 84 -3.433 4.862 6.467 656 HG2 LYS 84 HG2 LYS 84 -1.597 3.806 7.417 657 HG3 LYS 84 HG1 LYS 84 -0.951 5.381 6.946 658 HD2 LYS 84 HD2 LYS 84 -0.128 4.888 9.136 659 HD3 LYS 84 HD1 LYS 84 -1.335 6.184 9.210 660 HE2 LYS 84 HE2 LYS 84 -3.016 4.659 9.993 661 HE3 LYS 84 HE1 LYS 84 -1.929 3.287 9.799 662 HZ1 LYS 84 HZ1 LYS 84 -2.018 3.904 12.072 663 HZ2 LYS 84 HZ2 LYS 84 -1.712 5.516 11.728 664 HZ3 LYS 84 HZ3 LYS 84 -0.489 4.368 11.510 665 H GLN 85 H GLN 85 -0.780 7.851 7.233 666 HA GLN 85 HA GLN 85 -1.025 8.491 9.967 667 HB2 GLN 85 HB2 GLN 85 1.253 9.206 9.894 668 HB3 GLN 85 HB1 GLN 85 1.071 7.878 8.746 669 HG2 GLN 85 HG2 GLN 85 1.187 9.288 6.890 670 HG3 GLN 85 HG1 GLN 85 1.026 10.730 7.884 671 HE21 GLN 85 HE21 GLN 85 2.898 9.751 9.924 672 HE22 GLN 85 HE22 GLN 85 4.458 9.869 9.212 673 H LEU 86 H LEU 86 -1.461 10.317 7.054 674 HA LEU 86 HA LEU 86 -1.877 12.708 8.585 675 HB2 LEU 86 HB2 LEU 86 -1.657 12.078 5.719 676 HB3 LEU 86 HB1 LEU 86 -2.687 13.445 6.059 677 HG LEU 86 HG LEU 86 -0.489 14.190 5.541 678 HD11 LEU 86 HD11 LEU 86 -1.823 15.381 7.288 679 HD12 LEU 86 HD12 LEU 86 -0.084 15.628 7.377 680 HD13 LEU 86 HD13 LEU 86 -0.871 14.525 8.504 681 HD21 LEU 86 HD21 LEU 86 1.411 13.714 6.988 682 HD22 LEU 86 HD22 LEU 86 0.806 12.246 6.203 683 HD23 LEU 86 HD23 LEU 86 0.417 12.588 7.898 684 H GLN 87 H GLN 87 -3.871 10.333 6.994 685 HA GLN 87 HA GLN 87 -6.378 11.569 7.125 686 HB2 GLN 87 HB2 GLN 87 -5.923 9.560 5.833 687 HB3 GLN 87 HB1 GLN 87 -5.613 8.670 7.312 688 HG2 GLN 87 HG2 GLN 87 -7.942 8.902 7.955 689 HG3 GLN 87 HG1 GLN 87 -8.262 9.828 6.486 690 HE21 GLN 87 HE21 GLN 87 -6.082 7.116 6.541 691 HE22 GLN 87 HE22 GLN 87 -7.069 6.043 5.629 692 H GLN 88 H GLN 88 -4.591 9.767 9.533 693 HA GLN 88 HA GLN 88 -6.747 9.557 11.405 694 HB2 GLN 88 HB2 GLN 88 -5.042 8.711 12.949 695 HB3 GLN 88 HB1 GLN 88 -4.960 7.948 11.360 696 HG2 GLN 88 HG2 GLN 88 -3.112 9.466 10.772 697 HG3 GLN 88 HG1 GLN 88 -3.150 10.088 12.416 698 HE21 GLN 88 HE21 GLN 88 -1.026 9.436 12.677 699 HE22 GLN 88 HE22 GLN 88 -0.611 7.782 12.949 700 H GLY 89 H GLY 89 -4.974 12.102 10.462 701 HA2 GLY 89 HA2 GLY 89 -5.127 13.437 13.070 702 HA3 GLY 89 HA1 GLY 89 -4.123 13.975 11.729 703 H GLN 90 H GLN 90 -4.872 15.851 11.104 704 HA GLN 90 HA GLN 90 -7.708 16.448 11.276 705 HB2 GLN 90 HB2 GLN 90 -7.021 18.762 10.737 706 HB3 GLN 90 HB1 GLN 90 -6.200 18.109 12.146 707 HG2 GLN 90 HG2 GLN 90 -4.230 17.642 10.742 708 HG3 GLN 90 HG1 GLN 90 -5.055 18.385 9.378 709 HE21 GLN 90 HE21 GLN 90 -5.400 20.620 9.410 710 HE22 GLN 90 HE22 GLN 90 -4.491 21.662 10.428 711 H GLY 91 H GLY 91 -5.378 15.647 8.890 712 HA2 GLY 91 HA2 GLY 91 -7.013 14.946 6.871 713 HA3 GLY 91 HA1 GLY 91 -6.905 16.693 6.676 714 H GLY 92 H GLY 92 -5.048 17.603 5.935 715 HA2 GLY 92 HA2 GLY 92 -2.974 17.820 5.082 716 HA3 GLY 92 HA1 GLY 92 -2.483 16.324 5.804 717 H GLN 93 H GLN 93 -4.490 14.787 4.355 718 HA GLN 93 HA GLN 93 -2.973 13.884 2.259 719 HB2 GLN 93 HB2 GLN 93 -5.947 13.714 2.620 720 HB3 GLN 93 HB1 GLN 93 -5.073 12.830 1.378 721 HG2 GLN 93 HG2 GLN 93 -3.808 11.658 3.099 722 HG3 GLN 93 HG1 GLN 93 -4.657 12.571 4.347 723 HE21 GLN 93 HE21 GLN 93 -4.954 10.085 1.914 724 HE22 GLN 93 HE22 GLN 93 -6.448 9.444 2.487 725 H GLN 94 H GLN 94 -5.200 16.537 2.157 726 HA GLN 94 HA GLN 94 -5.216 16.744 -0.707 727 HB2 GLN 94 HB2 GLN 94 -6.325 18.904 -0.361 728 HB3 GLN 94 HB1 GLN 94 -7.106 17.627 0.558 729 HG2 GLN 94 HG2 GLN 94 -5.870 18.362 2.548 730 HG3 GLN 94 HG1 GLN 94 -5.173 19.656 1.601 731 HE21 GLN 94 HE21 GLN 94 -7.635 20.239 0.159 732 HE22 GLN 94 HE22 GLN 94 -8.688 21.003 1.275 733 H GLN 95 H GLN 95 -3.379 18.322 1.898 734 HA GLN 95 HA GLN 95 -2.066 20.035 0.006 735 HB2 GLN 95 HB2 GLN 95 -0.691 20.815 1.864 736 HB3 GLN 95 HB1 GLN 95 -2.410 20.870 2.312 737 HG2 GLN 95 HG2 GLN 95 -2.081 18.830 3.548 738 HG3 GLN 95 HG1 GLN 95 -0.389 18.813 3.107 739 HE21 GLN 95 HE21 GLN 95 -0.135 21.728 3.383 740 HE22 GLN 95 HE22 GLN 95 -0.060 22.007 5.074 741 H VAL 96 H VAL 96 -1.266 17.300 1.966 742 HA VAL 96 HA VAL 96 1.362 16.792 1.113 743 HB VAL 96 HB VAL 96 -0.745 14.907 2.215 744 HG11 VAL 96 HG11 VAL 96 2.209 14.469 1.908 745 HG12 VAL 96 HG12 VAL 96 0.899 13.559 1.139 746 HG13 VAL 96 HG13 VAL 96 1.123 13.483 2.892 747 HG21 VAL 96 HG21 VAL 96 0.521 15.174 4.322 748 HG22 VAL 96 HG22 VAL 96 -0.267 16.641 3.771 749 HG23 VAL 96 HG23 VAL 96 1.478 16.441 3.552 750 H GLN 97 H GLN 97 -1.638 16.257 -0.418 751 HA GLN 97 HA GLN 97 -1.428 14.135 -2.092 752 HB2 GLN 97 HB2 GLN 97 -3.318 15.623 -2.019 753 HB3 GLN 97 HB1 GLN 97 -2.384 16.887 -2.793 754 HG2 GLN 97 HG2 GLN 97 -2.212 15.544 -4.792 755 HG3 GLN 97 HG1 GLN 97 -3.149 14.261 -4.035 756 HE21 GLN 97 HE21 GLN 97 -3.782 15.850 -6.384 757 HE22 GLN 97 HE22 GLN 97 -5.289 16.620 -6.032 758 H GLN 98 H GLN 98 -0.134 17.349 -2.849 759 HA GLN 98 HA GLN 98 0.976 16.769 -5.345 760 HB2 GLN 98 HB2 GLN 98 2.252 18.832 -5.065 761 HB3 GLN 98 HB1 GLN 98 0.576 19.040 -4.577 762 HG2 GLN 98 HG2 GLN 98 1.272 18.752 -2.223 763 HG3 GLN 98 HG1 GLN 98 2.943 18.659 -2.766 764 HE21 GLN 98 HE21 GLN 98 3.947 20.504 -3.523 765 HE22 GLN 98 HE22 GLN 98 3.311 22.072 -3.237 766 H MET 99 H MET 99 2.124 15.827 -2.255 767 HA MET 99 HA MET 99 4.836 15.434 -3.308 768 HB2 MET 99 HB2 MET 99 4.061 16.600 -0.986 769 HB3 MET 99 HB1 MET 99 4.121 14.925 -0.523 770 HG2 MET 99 HG2 MET 99 6.182 15.996 0.025 771 HG3 MET 99 HG1 MET 99 6.388 14.684 -1.141 772 HE1 MET 99 HE1 MET 99 9.214 17.253 -2.077 773 HE2 MET 99 HE2 MET 99 8.850 15.601 -1.570 774 HE3 MET 99 HE3 MET 99 8.586 16.942 -0.458 775 H VAL 100 H VAL 100 2.274 13.887 -1.479 776 HA VAL 100 HA VAL 100 3.478 11.343 -1.546 777 HB VAL 100 HB VAL 100 1.745 11.894 0.110 778 HG11 VAL 100 HG11 VAL 100 -0.626 11.830 -0.474 779 HG12 VAL 100 HG12 VAL 100 -0.168 11.760 -2.189 780 HG13 VAL 100 HG13 VAL 100 0.266 13.165 -1.208 781 HG21 VAL 100 HG21 VAL 100 1.059 9.537 -1.605 782 HG22 VAL 100 HG22 VAL 100 0.499 9.770 0.057 783 HG23 VAL 100 HG23 VAL 100 2.227 9.566 -0.283 784 H LYS 101 H LYS 101 1.550 12.985 -3.955 785 HA LYS 101 HA LYS 101 0.986 10.775 -5.554 786 HB2 LYS 101 HB2 LYS 101 0.761 12.351 -7.421 787 HB3 LYS 101 HB1 LYS 101 0.018 12.977 -5.948 788 HG2 LYS 101 HG2 LYS 101 1.021 14.852 -6.759 789 HG3 LYS 101 HG1 LYS 101 2.266 14.215 -5.687 790 HD2 LYS 101 HD2 LYS 101 3.404 13.204 -7.631 791 HD3 LYS 101 HD1 LYS 101 2.164 13.880 -8.693 792 HE2 LYS 101 HE2 LYS 101 2.771 16.132 -7.891 793 HE3 LYS 101 HE1 LYS 101 4.075 15.425 -6.947 794 HZ1 LYS 101 HZ1 LYS 101 5.000 16.220 -8.940 795 HZ2 LYS 101 HZ2 LYS 101 3.774 15.555 -9.862 796 HZ3 LYS 101 HZ3 LYS 101 4.916 14.535 -9.167 797 H LYS 102 H LYS 102 4.022 12.364 -4.946 798 HA LYS 102 HA LYS 102 5.465 11.435 -7.177 799 HB2 LYS 102 HB2 LYS 102 6.322 12.106 -4.376 800 HB3 LYS 102 HB1 LYS 102 7.427 11.783 -5.706 801 HG2 LYS 102 HG2 LYS 102 6.778 13.756 -6.850 802 HG3 LYS 102 HG1 LYS 102 5.353 13.946 -5.834 803 HD2 LYS 102 HD2 LYS 102 7.192 15.517 -5.274 804 HD3 LYS 102 HD1 LYS 102 6.687 14.495 -3.933 805 HE2 LYS 102 HE2 LYS 102 9.039 14.628 -3.929 806 HE3 LYS 102 HE1 LYS 102 8.595 13.007 -4.400 807 HZ1 LYS 102 HZ1 LYS 102 9.406 15.136 -6.326 808 HZ2 LYS 102 HZ2 LYS 102 9.056 13.538 -6.709 809 HZ3 LYS 102 HZ3 LYS 102 10.400 13.898 -5.785 810 H ALA 103 H ALA 103 4.453 9.973 -4.190 811 HA ALA 103 HA ALA 103 6.129 7.705 -4.214 812 HB1 ALA 103 HB1 ALA 103 3.295 7.916 -3.177 813 HB2 ALA 103 HB2 ALA 103 4.759 8.251 -2.254 814 HB3 ALA 103 HB3 ALA 103 4.423 6.612 -2.808 815 H GLN 104 H GLN 104 3.180 8.528 -5.808 816 HA GLN 104 HA GLN 104 2.670 5.927 -6.887 817 HB2 GLN 104 HB2 GLN 104 1.490 8.624 -7.555 818 HB3 GLN 104 HB1 GLN 104 0.848 7.072 -8.085 819 HG2 GLN 104 HG2 GLN 104 0.406 6.434 -5.787 820 HG3 GLN 104 HG1 GLN 104 1.139 7.927 -5.215 821 HE21 GLN 104 HE21 GLN 104 -1.622 6.496 -6.726 822 HE22 GLN 104 HE22 GLN 104 -2.647 7.866 -6.562 823 H MET 105 H MET 105 4.657 8.512 -7.660 824 HA MET 105 HA MET 105 4.860 7.917 -10.515 825 HB2 MET 105 HB2 MET 105 6.538 9.757 -8.881 826 HB3 MET 105 HB1 MET 105 6.417 9.718 -10.626 827 HG2 MET 105 HG2 MET 105 4.062 10.343 -10.458 828 HG3 MET 105 HG1 MET 105 4.237 10.521 -8.730 829 HE1 MET 105 HE1 MET 105 6.864 11.539 -11.530 830 HE2 MET 105 HE2 MET 105 6.437 13.228 -11.782 831 HE3 MET 105 HE3 MET 105 5.300 11.960 -12.223 832 H LEU 106 H LEU 106 6.205 6.972 -7.587 833 HA LEU 106 HA LEU 106 8.904 6.609 -8.109 834 HB2 LEU 106 HB2 LEU 106 7.087 4.892 -6.455 835 HB3 LEU 106 HB1 LEU 106 8.821 4.709 -6.455 836 HG LEU 106 HG LEU 106 7.257 7.108 -5.561 837 HD11 LEU 106 HD11 LEU 106 7.033 5.235 -4.021 838 HD12 LEU 106 HD12 LEU 106 8.049 6.482 -3.296 839 HD13 LEU 106 HD13 LEU 106 8.785 5.033 -3.980 840 HD21 LEU 106 HD21 LEU 106 10.220 6.593 -5.448 841 HD22 LEU 106 HD22 LEU 106 9.393 7.935 -4.659 842 HD23 LEU 106 HD23 LEU 106 9.391 7.814 -6.417 843 HA PRO 107 HA PRO 107 8.008 2.223 -10.009 844 HB2 PRO 107 HB2 PRO 107 5.545 2.045 -11.253 845 HB3 PRO 107 HB1 PRO 107 5.933 1.334 -9.685 846 HG2 PRO 107 HG2 PRO 107 4.517 3.881 -10.308 847 HG3 PRO 107 HG1 PRO 107 4.211 2.691 -9.027 848 HD2 PRO 107 HD2 PRO 107 5.476 5.023 -8.519 849 HD3 PRO 107 HD1 PRO 107 5.890 3.535 -7.670 850 H ASN 108 H ASN 108 6.763 5.282 -11.267 851 HA ASN 108 HA ASN 108 7.187 4.551 -13.973 852 HB2 ASN 108 HB2 ASN 108 6.422 7.107 -12.552 853 HB3 ASN 108 HB1 ASN 108 6.532 6.936 -14.290 854 HD21 ASN 108 HD21 ASN 108 4.296 7.464 -14.529 855 HD22 ASN 108 HD22 ASN 108 3.053 6.350 -14.083 856 H GLN 109 H GLN 109 8.830 6.156 -11.372 857 HA GLN 109 HA GLN 109 10.916 7.284 -13.030 858 HB2 GLN 109 HB2 GLN 109 10.711 7.041 -10.025 859 HB3 GLN 109 HB1 GLN 109 11.972 7.910 -10.879 860 HG2 GLN 109 HG2 GLN 109 9.037 8.572 -10.875 861 HG3 GLN 109 HG1 GLN 109 10.302 9.430 -10.001 862 HE21 GLN 109 HE21 GLN 109 8.476 10.451 -11.936 863 HE22 GLN 109 HE22 GLN 109 9.413 11.091 -13.234 864 H CYS 110 H CYS 110 10.621 4.681 -10.668 865 HA CYS 110 HA CYS 110 13.342 3.888 -10.981 866 HB2 CYS 110 HB2 CYS 110 11.103 2.815 -9.253 867 HB3 CYS 110 HB1 CYS 110 12.754 2.179 -9.248 868 H ASN 111 H ASN 111 10.791 3.392 -12.891 869 HA ASN 111 HA ASN 111 10.180 1.922 -14.492 870 HB2 ASN 111 HB2 ASN 111 12.527 2.341 -15.213 871 HB3 ASN 111 HB1 ASN 111 13.041 0.942 -14.282 872 HD21 ASN 111 HD21 ASN 111 13.809 -0.200 -16.081 873 HD22 ASN 111 HD22 ASN 111 12.745 -0.878 -17.249 874 H LEU 112 H LEU 112 9.059 1.156 -12.548 875 HA LEU 112 HA LEU 112 9.830 -1.544 -11.764 876 HB2 LEU 112 HB2 LEU 112 7.623 0.197 -10.661 877 HB3 LEU 112 HB1 LEU 112 8.117 -1.354 -10.016 878 HG LEU 112 HG LEU 112 9.761 1.178 -10.034 879 HD11 LEU 112 HD11 LEU 112 8.018 1.199 -8.318 880 HD12 LEU 112 HD12 LEU 112 9.607 1.029 -7.594 881 HD13 LEU 112 HD13 LEU 112 8.566 -0.373 -7.743 882 HD21 LEU 112 HD21 LEU 112 11.434 -0.096 -8.772 883 HD22 LEU 112 HD22 LEU 112 11.208 -0.735 -10.394 884 HD23 LEU 112 HD23 LEU 112 10.487 -1.564 -9.012 885 H GLN 113 H GLN 113 8.132 -3.195 -11.673 886 HA GLN 113 HA GLN 113 7.112 -3.563 -14.324 887 HB2 GLN 113 HB2 GLN 113 6.600 -5.253 -11.908 888 HB3 GLN 113 HB1 GLN 113 6.452 -5.750 -13.581 889 HG2 GLN 113 HG2 GLN 113 8.872 -5.558 -13.839 890 HG3 GLN 113 HG1 GLN 113 9.005 -5.047 -12.156 891 HE21 GLN 113 HE21 GLN 113 6.857 -6.949 -11.322 892 HE22 GLN 113 HE22 GLN 113 7.601 -8.495 -11.361 893 H CYS 114 H CYS 114 5.784 -1.528 -12.618 894 HA CYS 114 HA CYS 114 3.032 -2.435 -12.842 895 HB2 CYS 114 HB2 CYS 114 4.550 -1.660 -10.488 896 HB3 CYS 114 HB1 CYS 114 2.754 -1.771 -10.374 897 H SER 115 H SER 115 1.613 -0.521 -12.605 898 HA SER 115 HA SER 115 3.025 2.016 -12.628 899 HB2 SER 115 HB2 SER 115 1.477 2.716 -14.495 900 HB3 SER 115 HB1 SER 115 2.692 1.522 -14.957 901 HG SER 115 HG SER 115 1.146 -0.062 -14.862 902 H ILE 116 H ILE 116 1.784 3.723 -11.778 903 HA ILE 116 HA ILE 116 -0.687 2.852 -10.477 904 HB ILE 116 HB ILE 116 1.036 5.239 -9.730 905 HG12 ILE 116 HG12 ILE 116 2.275 3.143 -9.356 906 HG13 ILE 116 HG11 ILE 116 1.898 3.954 -7.843 907 HG21 ILE 116 HG21 ILE 116 -0.281 5.208 -7.646 908 HG22 ILE 116 HG22 ILE 116 -1.219 3.855 -8.273 909 HG23 ILE 116 HG23 ILE 116 -1.303 5.425 -9.069 910 HD11 ILE 116 HD11 ILE 116 1.632 1.563 -7.646 911 HD12 ILE 116 HD12 ILE 116 0.507 1.545 -9.006 912 HD13 ILE 116 HD13 ILE 116 0.057 2.348 -7.497
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