NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
2873 | 1cop | 1743 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Orig H atom name Start of MODEL 1 Raw file had 1086 H/Q atoms Start of MODEL 1 1 1H MET 1 1H MET 1 -17.081 20.543 -10.144 2 2H MET 1 3H MET 1 -18.387 21.448 -10.736 3 3H MET 1 2H MET 1 -17.933 21.581 -9.104 4 HA MET 1 HA MET 1 -18.817 19.558 -8.525 5 1HB MET 1 2HB MET 1 -20.551 21.231 -9.330 6 2HB MET 1 1HB MET 1 -20.575 20.353 -10.860 7 1HG MET 1 2HG MET 1 -20.785 18.390 -8.844 8 2HG MET 1 1HG MET 1 -21.883 19.687 -8.371 9 1HE MET 1 2HE MET 1 -23.546 20.801 -9.904 10 2HE MET 1 1HE MET 1 -24.687 19.716 -10.696 11 3HE MET 1 3HE MET 1 -24.263 19.472 -8.996 12 H GLU 2 H GLU 2 -19.147 17.340 -8.999 13 HA GLU 2 HA GLU 2 -19.149 16.208 -11.615 14 1HB GLU 2 2HB GLU 2 -16.540 16.988 -10.612 15 2HB GLU 2 1HB GLU 2 -16.620 15.242 -10.848 16 1HG GLU 2 2HG GLU 2 -17.922 16.479 -13.066 17 2HG GLU 2 1HG GLU 2 -16.370 17.283 -12.837 18 H GLN 3 H GLN 3 -20.085 14.252 -11.283 19 HA GLN 3 HA GLN 3 -20.203 13.119 -8.599 20 1HB GLN 3 2HB GLN 3 -21.642 12.836 -11.069 21 2HB GLN 3 1HB GLN 3 -21.142 11.239 -10.511 22 1HG GLN 3 2HG GLN 3 -22.665 11.273 -8.853 23 2HG GLN 3 1HG GLN 3 -22.080 12.838 -8.287 24 1HE2 GLN 3 2HE2 GLN 3 -25.369 12.660 -10.706 25 2HE2 GLN 3 1HE2 GLN 3 -24.433 11.271 -10.430 26 NH1 ARG 4 NH1 ARG 4 -13.663 14.501 -10.930 27 NH2 ARG 4 NH2 ARG 4 -12.330 13.922 -9.201 28 H ARG 4 H ARG 4 -18.421 12.088 -7.832 29 HA ARG 4 HA ARG 4 -16.863 10.374 -9.719 30 1HB ARG 4 2HB ARG 4 -16.123 11.646 -7.068 31 2HB ARG 4 1HB ARG 4 -15.098 10.481 -7.907 32 1HG ARG 4 2HG ARG 4 -16.098 13.042 -9.177 33 2HG ARG 4 1HG ARG 4 -14.530 12.895 -8.385 34 1HD ARG 4 2HD ARG 4 -14.643 10.686 -10.089 35 2HD ARG 4 1HD ARG 4 -15.346 11.999 -11.034 36 HE ARG 4 HE ARG 4 -12.630 11.743 -10.759 37 1HH1 ARG 4 2HH1 ARG 4 -14.266 14.240 -11.685 38 2HH1 ARG 4 1HH1 ARG 4 -13.482 15.468 -10.747 39 1HH2 ARG 4 1HH2 ARG 4 -11.909 13.217 -8.630 40 2HH2 ARG 4 2HH2 ARG 4 -12.150 14.888 -9.016 41 H ILE 5 H ILE 5 -17.402 8.255 -9.571 42 HA ILE 5 HA ILE 5 -17.737 7.053 -6.885 43 HB ILE 5 HB ILE 5 -19.775 6.745 -9.108 44 1HG1 ILE 5 2HG1 ILE 5 -21.156 7.640 -6.959 45 2HG1 ILE 5 1HG1 ILE 5 -19.609 8.435 -6.666 46 1HG2 ILE 5 2HG2 ILE 5 -19.631 5.558 -6.320 47 2HG2 ILE 5 1HG2 ILE 5 -21.000 5.396 -7.421 48 3HG2 ILE 5 3HG2 ILE 5 -19.445 4.672 -7.834 49 1HD1 ILE 5 2HD1 ILE 5 -21.092 8.555 -9.307 50 2HD1 ILE 5 1HD1 ILE 5 -21.205 9.798 -8.059 51 3HD1 ILE 5 3HD1 ILE 5 -19.661 9.480 -8.850 52 H THR 6 H THR 6 -17.256 4.792 -6.884 53 HA THR 6 HA THR 6 -15.384 3.949 -8.896 54 HB THR 6 HB THR 6 -16.760 1.986 -7.093 55 HG1 THR 6 HG1 THR 6 -16.442 3.538 -5.635 56 1HG2 THR 6 3HG2 THR 6 -14.678 1.738 -8.775 57 2HG2 THR 6 2HG2 THR 6 -13.812 2.286 -7.340 58 3HG2 THR 6 1HG2 THR 6 -14.793 0.822 -7.273 59 H LEU 7 H LEU 7 -15.626 2.179 -10.404 60 HA LEU 7 HA LEU 7 -18.028 2.216 -11.924 61 1HB LEU 7 2HB LEU 7 -15.887 1.543 -12.903 62 2HB LEU 7 1HB LEU 7 -15.814 0.144 -11.832 63 HG LEU 7 HG LEU 7 -18.090 -0.519 -12.856 64 1HD1 LEU 7 1HD1 LEU 7 -18.227 1.837 -13.947 65 2HD1 LEU 7 3HD1 LEU 7 -17.139 1.170 -15.163 66 3HD1 LEU 7 2HD1 LEU 7 -18.726 0.445 -14.908 67 1HD2 LEU 7 2HD2 LEU 7 -15.495 -1.175 -13.473 68 2HD2 LEU 7 1HD2 LEU 7 -16.914 -1.970 -14.158 69 3HD2 LEU 7 3HD2 LEU 7 -16.117 -0.670 -15.045 70 H LYS 8 H LYS 8 -17.067 0.317 -9.161 71 HA LYS 8 HA LYS 8 -19.194 -1.670 -9.582 72 1HB LYS 8 2HB LYS 8 -18.293 -2.812 -7.725 73 2HB LYS 8 1HB LYS 8 -16.882 -2.087 -8.494 74 1HG LYS 8 2HG LYS 8 -17.235 -0.102 -6.900 75 2HG LYS 8 1HG LYS 8 -18.334 -1.158 -6.013 76 1HD LYS 8 2HD LYS 8 -15.574 -2.121 -6.721 77 2HD LYS 8 1HD LYS 8 -15.813 -1.086 -5.313 78 1HE LYS 8 2HE LYS 8 -17.764 -3.275 -5.491 79 2HE LYS 8 1HE LYS 8 -16.100 -3.833 -5.326 80 1HZ LYS 8 3HZ LYS 8 -16.094 -1.911 -3.529 81 2HZ LYS 8 2HZ LYS 8 -17.746 -2.304 -3.466 82 3HZ LYS 8 1HZ LYS 8 -16.573 -3.494 -3.155 83 H ASP 9 H ASP 9 -18.693 1.280 -7.759 84 HA ASP 9 HA ASP 9 -21.025 0.836 -6.045 85 1HB ASP 9 2HB ASP 9 -19.141 3.148 -6.505 86 2HB ASP 9 1HB ASP 9 -20.606 3.348 -5.542 87 OH TYR 10 OH TYR 10 -25.171 5.783 -14.749 88 H TYR 10 H TYR 10 -20.350 2.331 -9.123 89 HA TYR 10 HA TYR 10 -22.950 3.713 -9.191 90 1HB TYR 10 2HB TYR 10 -21.081 4.820 -10.283 91 2HB TYR 10 1HB TYR 10 -20.745 3.384 -11.248 92 HD1 TYR 10 HD1 TYR 10 -23.999 5.037 -10.410 93 HD2 TYR 10 HD2 TYR 10 -21.192 3.960 -13.477 94 HE1 TYR 10 HE1 TYR 10 -25.588 5.829 -12.141 95 HE2 TYR 10 HE2 TYR 10 -22.780 4.752 -15.210 96 HH TYR 10 HH TYR 10 -24.721 6.444 -15.283 97 H ALA 11 H ALA 11 -21.406 0.823 -10.465 98 HA ALA 11 HA ALA 11 -23.694 0.144 -12.163 99 1HB ALA 11 1HB ALA 11 -21.129 -0.505 -12.396 100 2HB ALA 11 3HB ALA 11 -21.614 -1.863 -11.380 101 3HB ALA 11 2HB ALA 11 -22.392 -1.608 -12.944 102 H MET 12 H MET 12 -22.566 -0.594 -8.913 103 HA MET 12 HA MET 12 -24.573 -2.741 -8.613 104 1HB MET 12 2HB MET 12 -22.540 -1.575 -6.697 105 2HB MET 12 1HB MET 12 -23.645 -2.884 -6.284 106 1HG MET 12 2HG MET 12 -22.452 -3.604 -8.747 107 2HG MET 12 1HG MET 12 -21.147 -3.023 -7.713 108 1HE MET 12 1HE MET 12 -21.953 -5.985 -8.943 109 2HE MET 12 3HE MET 12 -20.388 -5.636 -8.198 110 3HE MET 12 2HE MET 12 -21.333 -7.021 -7.659 111 NH1 ARG 13 NH1 ARG 13 -25.140 1.251 -2.009 112 NH2 ARG 13 NH2 ARG 13 -26.813 2.557 -2.784 113 H ARG 13 H ARG 13 -23.963 0.539 -7.400 114 HA ARG 13 HA ARG 13 -26.364 0.496 -5.734 115 1HB ARG 13 2HB ARG 13 -24.651 2.861 -6.542 116 2HB ARG 13 1HB ARG 13 -25.809 2.808 -5.214 117 1HG ARG 13 2HG ARG 13 -24.438 0.851 -4.290 118 2HG ARG 13 1HG ARG 13 -23.196 1.308 -5.455 119 1HD ARG 13 2HD ARG 13 -22.735 2.381 -3.307 120 2HD ARG 13 1HD ARG 13 -23.182 3.606 -4.494 121 HE ARG 13 HE ARG 13 -24.741 4.149 -2.783 122 1HH1 ARG 13 2HH1 ARG 13 -24.163 1.082 -1.876 123 2HH1 ARG 13 1HH1 ARG 13 -25.812 0.586 -1.682 124 1HH2 ARG 13 1HH2 ARG 13 -27.119 3.390 -3.245 125 2HH2 ARG 13 2HH2 ARG 13 -27.483 1.892 -2.457 126 H PHE 14 H PHE 14 -25.573 1.500 -9.003 127 HA PHE 14 HA PHE 14 -28.327 2.644 -9.227 128 1HB PHE 14 2HB PHE 14 -25.977 3.082 -11.091 129 2HB PHE 14 1HB PHE 14 -27.538 3.898 -11.156 130 HD1 PHE 14 HD1 PHE 14 -24.813 3.196 -8.661 131 HD2 PHE 14 HD2 PHE 14 -27.694 5.998 -10.179 132 HE1 PHE 14 HE1 PHE 14 -24.003 4.903 -7.053 133 HE2 PHE 14 HE2 PHE 14 -26.884 7.702 -8.571 134 HZ PHE 14 HZ PHE 14 -25.038 7.156 -7.008 135 H GLY 15 H GLY 15 -26.040 0.343 -10.603 136 1HA GLY 15 2HA GLY 15 -27.300 -1.751 -11.405 137 2HA GLY 15 1HA GLY 15 -28.217 -0.625 -12.408 138 H GLN 16 H GLN 16 -25.988 -2.863 -12.784 139 HA GLN 16 HA GLN 16 -23.821 -1.549 -14.141 140 1HB GLN 16 2HB GLN 16 -24.888 -4.339 -14.658 141 2HB GLN 16 1HB GLN 16 -23.259 -3.748 -14.991 142 1HG GLN 16 2HG GLN 16 -22.906 -3.370 -12.572 143 2HG GLN 16 1HG GLN 16 -24.526 -3.987 -12.245 144 1HE2 GLN 16 2HE2 GLN 16 -23.185 -7.227 -11.966 145 2HE2 GLN 16 1HE2 GLN 16 -24.162 -6.014 -11.292 146 H THR 17 H THR 17 -27.070 -2.362 -15.068 147 HA THR 17 HA THR 17 -26.716 -2.370 -17.915 148 HB THR 17 HB THR 17 -29.173 -1.488 -16.374 149 HG1 THR 17 HG1 THR 17 -29.725 -3.681 -16.457 150 1HG2 THR 17 3HG2 THR 17 -28.607 -2.375 -19.187 151 2HG2 THR 17 2HG2 THR 17 -30.194 -2.670 -18.477 152 3HG2 THR 17 1HG2 THR 17 -29.586 -1.020 -18.623 153 H LYS 18 H LYS 18 -27.419 0.231 -15.589 154 HA LYS 18 HA LYS 18 -27.626 2.256 -17.672 155 1HB LYS 18 2HB LYS 18 -27.156 2.647 -14.704 156 2HB LYS 18 1HB LYS 18 -27.775 3.842 -15.844 157 1HG LYS 18 2HG LYS 18 -29.876 3.034 -15.681 158 2HG LYS 18 1HG LYS 18 -29.327 1.376 -15.925 159 1HD LYS 18 2HD LYS 18 -29.215 0.942 -13.686 160 2HD LYS 18 1HD LYS 18 -28.658 2.569 -13.296 161 1HE LYS 18 2HE LYS 18 -30.761 2.901 -12.513 162 2HE LYS 18 1HE LYS 18 -31.218 3.032 -14.211 163 1HZ LYS 18 3HZ LYS 18 -31.167 0.495 -12.672 164 2HZ LYS 18 2HZ LYS 18 -32.565 1.413 -12.970 165 3HZ LYS 18 1HZ LYS 18 -31.720 0.703 -14.261 166 H THR 19 H THR 19 -25.073 1.035 -15.564 167 HA THR 19 HA THR 19 -23.188 3.147 -16.130 168 HB THR 19 HB THR 19 -22.474 0.290 -15.431 169 HG1 THR 19 HG1 THR 19 -23.583 2.359 -13.885 170 1HG2 THR 19 2HG2 THR 19 -21.183 2.997 -15.138 171 2HG2 THR 19 1HG2 THR 19 -20.718 1.660 -14.086 172 3HG2 THR 19 3HG2 THR 19 -20.508 1.522 -15.831 173 H ALA 20 H ALA 20 -24.097 0.168 -17.751 174 HA ALA 20 HA ALA 20 -21.851 0.321 -19.643 175 1HB ALA 20 1HB ALA 20 -23.356 -1.763 -18.772 176 2HB ALA 20 3HB ALA 20 -24.209 -1.374 -20.266 177 3HB ALA 20 2HB ALA 20 -22.492 -1.775 -20.309 178 H LYS 21 H LYS 21 -25.106 1.470 -19.375 179 HA LYS 21 HA LYS 21 -25.447 1.955 -22.244 180 1HB LYS 21 2HB LYS 21 -27.422 1.543 -20.864 181 2HB LYS 21 1HB LYS 21 -27.016 2.913 -19.830 182 1HG LYS 21 2HG LYS 21 -27.029 4.180 -22.200 183 2HG LYS 21 1HG LYS 21 -28.166 2.886 -22.579 184 1HD LYS 21 2HD LYS 21 -28.366 4.912 -20.339 185 2HD LYS 21 1HD LYS 21 -29.464 4.709 -21.704 186 1HE LYS 21 2HE LYS 21 -29.848 2.321 -20.810 187 2HE LYS 21 1HE LYS 21 -29.082 2.888 -19.325 188 1HZ LYS 21 2HZ LYS 21 -31.349 4.312 -20.592 189 2HZ LYS 21 1HZ LYS 21 -31.574 3.087 -19.436 190 3HZ LYS 21 3HZ LYS 21 -30.740 4.502 -19.017 191 H ASP 22 H ASP 22 -24.184 3.640 -19.470 192 HA ASP 22 HA ASP 22 -24.164 6.239 -20.862 193 1HB ASP 22 2HB ASP 22 -23.087 5.352 -18.168 194 2HB ASP 22 1HB ASP 22 -22.981 7.004 -18.778 195 H LEU 23 H LEU 23 -21.980 3.601 -20.066 196 HA LEU 23 HA LEU 23 -19.657 5.090 -21.123 197 1HB LEU 23 2HB LEU 23 -20.033 2.402 -19.814 198 2HB LEU 23 1HB LEU 23 -18.532 2.792 -20.655 199 HG LEU 23 HG LEU 23 -19.589 4.815 -18.732 200 1HD1 LEU 23 2HD1 LEU 23 -19.704 2.413 -17.718 201 2HD1 LEU 23 1HD1 LEU 23 -17.942 2.511 -17.716 202 3HD1 LEU 23 3HD1 LEU 23 -18.891 3.681 -16.800 203 1HD2 LEU 23 1HD2 LEU 23 -16.922 3.808 -19.713 204 2HD2 LEU 23 3HD2 LEU 23 -17.586 5.439 -19.808 205 3HD2 LEU 23 2HD2 LEU 23 -17.030 4.803 -18.259 206 H GLY 24 H GLY 24 -22.073 2.891 -22.220 207 1HA GLY 24 2HA GLY 24 -22.448 2.387 -24.536 208 2HA GLY 24 1HA GLY 24 -20.781 2.846 -24.881 209 H VAL 25 H VAL 25 -19.635 1.219 -22.748 210 HA VAL 25 HA VAL 25 -19.095 -1.168 -24.122 211 HB VAL 25 HB VAL 25 -18.621 -2.047 -21.683 212 1HG1 VAL 25 3HG1 VAL 25 -16.940 -1.252 -23.352 213 2HG1 VAL 25 2HG1 VAL 25 -17.189 0.395 -22.775 214 3HG1 VAL 25 1HG1 VAL 25 -16.508 -0.824 -21.696 215 1HG2 VAL 25 3HG2 VAL 25 -20.122 -0.096 -20.816 216 2HG2 VAL 25 2HG2 VAL 25 -18.608 -0.425 -19.973 217 3HG2 VAL 25 1HG2 VAL 25 -18.709 0.914 -21.117 218 OH TYR 26 OH TYR 26 -17.626 -4.316 -27.795 219 H TYR 26 H TYR 26 -19.733 -3.432 -23.363 220 HA TYR 26 HA TYR 26 -22.684 -3.523 -23.160 221 1HB TYR 26 2HB TYR 26 -21.318 -6.109 -23.236 222 2HB TYR 26 1HB TYR 26 -22.549 -5.462 -24.316 223 HD1 TYR 26 HD2 TYR 26 -21.721 -3.542 -25.947 224 HD2 TYR 26 HD1 TYR 26 -19.154 -6.416 -24.049 225 HE1 TYR 26 HE2 TYR 26 -19.987 -3.133 -27.672 226 HE2 TYR 26 HE1 TYR 26 -17.420 -6.006 -25.773 227 HH TYR 26 HH TYR 26 -18.063 -3.990 -28.584 228 H GLN 27 H GLN 27 -23.529 -5.413 -21.731 229 HA GLN 27 HA GLN 27 -22.834 -4.840 -19.008 230 1HB GLN 27 2HB GLN 27 -24.448 -7.068 -20.274 231 2HB GLN 27 1HB GLN 27 -24.276 -6.881 -18.528 232 1HG GLN 27 2HG GLN 27 -25.401 -4.803 -18.520 233 2HG GLN 27 1HG GLN 27 -25.194 -4.587 -20.258 234 1HE2 GLN 27 2HE2 GLN 27 -28.697 -5.815 -19.481 235 2HE2 GLN 27 1HE2 GLN 27 -27.779 -4.520 -18.878 236 H SER 28 H SER 28 -21.666 -7.182 -21.321 237 HA SER 28 HA SER 28 -20.426 -8.930 -19.353 238 1HB SER 28 2HB SER 28 -20.264 -8.625 -22.341 239 2HB SER 28 1HB SER 28 -19.082 -9.621 -21.497 240 HG SER 28 HG SER 28 -20.676 -10.951 -20.824 241 H ALA 29 H ALA 29 -19.624 -5.895 -20.770 242 HA ALA 29 HA ALA 29 -16.733 -6.187 -20.270 243 1HB ALA 29 3HB ALA 29 -18.512 -4.111 -21.483 244 2HB ALA 29 2HB ALA 29 -16.975 -3.578 -20.802 245 3HB ALA 29 1HB ALA 29 -16.999 -4.782 -22.091 246 H ILE 30 H ILE 30 -19.561 -4.614 -18.889 247 HA ILE 30 HA ILE 30 -18.089 -3.211 -16.819 248 HB ILE 30 HB ILE 30 -21.010 -3.917 -17.189 249 1HG1 ILE 30 2HG1 ILE 30 -19.962 -2.181 -18.667 250 2HG1 ILE 30 1HG1 ILE 30 -21.237 -1.534 -17.637 251 1HG2 ILE 30 3HG2 ILE 30 -19.555 -2.906 -14.827 252 2HG2 ILE 30 2HG2 ILE 30 -20.975 -1.964 -15.284 253 3HG2 ILE 30 1HG2 ILE 30 -21.134 -3.685 -14.930 254 1HD1 ILE 30 3HD1 ILE 30 -19.346 -0.974 -15.969 255 2HD1 ILE 30 2HD1 ILE 30 -18.250 -1.242 -17.324 256 3HD1 ILE 30 1HD1 ILE 30 -19.472 0.027 -17.415 257 H ASN 31 H ASN 31 -19.660 -6.346 -17.142 258 HA ASN 31 HA ASN 31 -19.443 -7.040 -14.331 259 1HB ASN 31 2HB ASN 31 -20.698 -8.143 -16.571 260 2HB ASN 31 1HB ASN 31 -19.444 -9.313 -16.160 261 1HD2 ASN 31 2HD2 ASN 31 -20.968 -10.283 -13.099 262 2HD2 ASN 31 1HD2 ASN 31 -19.557 -10.353 -14.041 263 H LYS 32 H LYS 32 -17.478 -7.630 -17.237 264 HA LYS 32 HA LYS 32 -15.552 -9.332 -15.970 265 1HB LYS 32 2HB LYS 32 -15.686 -7.726 -18.474 266 2HB LYS 32 1HB LYS 32 -14.076 -8.164 -17.902 267 1HG LYS 32 2HG LYS 32 -14.583 -10.496 -17.964 268 2HG LYS 32 1HG LYS 32 -16.307 -10.187 -18.166 269 1HD LYS 32 2HD LYS 32 -16.109 -9.842 -20.403 270 2HD LYS 32 1HD LYS 32 -14.600 -8.948 -20.225 271 1HE LYS 32 2HE LYS 32 -13.375 -10.776 -20.712 272 2HE LYS 32 1HE LYS 32 -14.241 -11.740 -19.514 273 1HZ LYS 32 2HZ LYS 32 -16.105 -11.622 -21.337 274 2HZ LYS 32 1HZ LYS 32 -14.776 -11.398 -22.371 275 3HZ LYS 32 3HZ LYS 32 -14.876 -12.792 -21.410 276 H ALA 33 H ALA 33 -15.828 -5.823 -16.287 277 HA ALA 33 HA ALA 33 -13.249 -5.166 -15.234 278 1HB ALA 33 2HB ALA 33 -15.880 -3.682 -15.312 279 2HB ALA 33 1HB ALA 33 -14.436 -2.978 -14.585 280 3HB ALA 33 3HB ALA 33 -14.444 -3.402 -16.298 281 H ILE 34 H ILE 34 -16.421 -5.540 -13.677 282 HA ILE 34 HA ILE 34 -15.471 -5.019 -11.010 283 HB ILE 34 HB ILE 34 -17.896 -6.484 -12.081 284 1HG1 ILE 34 2HG1 ILE 34 -17.621 -3.948 -12.299 285 2HG1 ILE 34 1HG1 ILE 34 -19.079 -4.497 -11.474 286 1HG2 ILE 34 2HG2 ILE 34 -16.753 -6.483 -9.397 287 2HG2 ILE 34 1HG2 ILE 34 -18.384 -5.812 -9.418 288 3HG2 ILE 34 3HG2 ILE 34 -18.089 -7.435 -10.042 289 1HD1 ILE 34 1HD1 ILE 34 -16.884 -4.216 -9.598 290 2HD1 ILE 34 3HD1 ILE 34 -17.156 -2.709 -10.473 291 3HD1 ILE 34 2HD1 ILE 34 -18.475 -3.455 -9.570 292 H HIS 35 H HIS 35 -15.442 -7.809 -13.095 293 HA HIS 35 HA HIS 35 -15.000 -9.787 -11.035 294 1HB HIS 35 2HB HIS 35 -14.715 -9.682 -14.020 295 2HB HIS 35 1HB HIS 35 -13.969 -11.016 -13.139 296 HD1 HIS 35 HD1 HIS 35 -17.066 -9.585 -11.690 297 HD2 HIS 35 HD2 HIS 35 -16.048 -12.744 -14.211 298 HE1 HIS 35 HE1 HIS 35 -19.106 -11.083 -11.821 299 H ALA 36 H ALA 36 -12.915 -7.660 -12.927 300 HA ALA 36 HA ALA 36 -10.445 -8.954 -12.121 301 1HB ALA 36 2HB ALA 36 -11.117 -7.061 -14.012 302 2HB ALA 36 1HB ALA 36 -10.283 -6.096 -12.795 303 3HB ALA 36 3HB ALA 36 -9.469 -7.473 -13.537 304 H GLY 37 H GLY 37 -12.661 -6.840 -10.592 305 1HA GLY 37 2HA GLY 37 -12.533 -5.572 -8.611 306 2HA GLY 37 1HA GLY 37 -11.545 -6.923 -8.052 307 NH1 ARG 38 NH1 ARG 38 -4.517 -6.254 -13.306 308 NH2 ARG 38 NH2 ARG 38 -5.443 -7.856 -14.603 309 H ARG 38 H ARG 38 -10.660 -4.769 -10.708 310 HA ARG 38 HA ARG 38 -8.172 -4.104 -9.258 311 1HB ARG 38 2HB ARG 38 -9.130 -3.822 -12.093 312 2HB ARG 38 1HB ARG 38 -7.765 -2.854 -11.532 313 1HG ARG 38 2HG ARG 38 -6.460 -4.763 -11.041 314 2HG ARG 38 1HG ARG 38 -7.861 -5.834 -11.077 315 1HD ARG 38 2HD ARG 38 -8.076 -5.058 -13.564 316 2HD ARG 38 1HD ARG 38 -6.389 -4.578 -13.379 317 HE ARG 38 HE ARG 38 -7.343 -7.381 -12.944 318 1HH1 ARG 38 2HH1 ARG 38 -4.611 -5.535 -12.618 319 2HH1 ARG 38 1HH1 ARG 38 -3.618 -6.461 -13.692 320 1HH2 ARG 38 1HH2 ARG 38 -6.247 -8.365 -14.909 321 2HH2 ARG 38 2HH2 ARG 38 -4.543 -8.064 -14.987 322 H LYS 39 H LYS 39 -7.489 -1.639 -9.903 323 HA LYS 39 HA LYS 39 -9.393 0.029 -8.438 324 1HB LYS 39 2HB LYS 39 -6.746 0.660 -9.781 325 2HB LYS 39 1HB LYS 39 -7.672 1.816 -8.824 326 1HG LYS 39 2HG LYS 39 -6.476 -0.797 -7.865 327 2HG LYS 39 1HG LYS 39 -6.002 0.831 -7.377 328 1HD LYS 39 2HD LYS 39 -8.494 1.074 -6.640 329 2HD LYS 39 1HD LYS 39 -8.506 -0.690 -6.687 330 1HE LYS 39 2HE LYS 39 -7.924 -0.041 -4.440 331 2HE LYS 39 1HE LYS 39 -6.458 -0.653 -5.206 332 1HZ LYS 39 1HZ LYS 39 -6.937 2.180 -5.552 333 2HZ LYS 39 3HZ LYS 39 -6.627 1.702 -3.954 334 3HZ LYS 39 2HZ LYS 39 -5.500 1.357 -5.177 335 H ILE 40 H ILE 40 -11.171 -0.143 -9.988 336 HA ILE 40 HA ILE 40 -10.755 1.541 -12.424 337 HB ILE 40 HB ILE 40 -13.169 -0.207 -11.965 338 1HG1 ILE 40 2HG1 ILE 40 -10.479 -1.056 -13.091 339 2HG1 ILE 40 1HG1 ILE 40 -11.242 -1.680 -11.628 340 1HG2 ILE 40 2HG2 ILE 40 -11.884 1.277 -14.188 341 2HG2 ILE 40 1HG2 ILE 40 -12.536 -0.307 -14.608 342 3HG2 ILE 40 3HG2 ILE 40 -13.590 0.922 -13.909 343 1HD1 ILE 40 3HD1 ILE 40 -13.246 -2.134 -13.360 344 2HD1 ILE 40 2HD1 ILE 40 -11.890 -2.225 -14.484 345 3HD1 ILE 40 1HD1 ILE 40 -11.955 -3.305 -13.091 346 H PHE 41 H PHE 41 -11.159 3.591 -11.660 347 HA PHE 41 HA PHE 41 -13.528 4.043 -9.942 348 1HB PHE 41 2HB PHE 41 -11.617 6.158 -10.928 349 2HB PHE 41 1HB PHE 41 -12.588 6.154 -9.454 350 HD1 PHE 41 HD1 PHE 41 -12.018 3.179 -8.775 351 HD2 PHE 41 HD2 PHE 41 -9.469 6.478 -9.816 352 HE1 PHE 41 HE1 PHE 41 -10.147 2.128 -7.535 353 HE2 PHE 41 HE2 PHE 41 -7.599 5.427 -8.573 354 HZ PHE 41 HZ PHE 41 -7.938 3.251 -7.433 355 H LEU 42 H LEU 42 -15.022 5.844 -10.547 356 HA LEU 42 HA LEU 42 -15.289 6.071 -13.520 357 1HB LEU 42 2HB LEU 42 -17.092 4.913 -11.645 358 2HB LEU 42 1HB LEU 42 -17.823 6.411 -12.224 359 HG LEU 42 HG LEU 42 -17.514 5.704 -14.545 360 1HD1 LEU 42 2HD1 LEU 42 -16.151 3.337 -13.253 361 2HD1 LEU 42 1HD1 LEU 42 -16.710 3.320 -14.925 362 3HD1 LEU 42 3HD1 LEU 42 -15.470 4.466 -14.420 363 1HD2 LEU 42 2HD2 LEU 42 -18.820 3.734 -12.665 364 2HD2 LEU 42 1HD2 LEU 42 -19.589 4.960 -13.672 365 3HD2 LEU 42 3HD2 LEU 42 -18.893 3.520 -14.414 366 H THR 43 H THR 43 -14.889 8.132 -14.074 367 HA THR 43 HA THR 43 -15.610 10.314 -12.180 368 HB THR 43 HB THR 43 -13.791 10.214 -14.603 369 HG1 THR 43 HG1 THR 43 -12.337 9.994 -13.128 370 1HG2 THR 43 3HG2 THR 43 -14.648 12.591 -12.930 371 2HG2 THR 43 2HG2 THR 43 -13.316 12.610 -14.086 372 3HG2 THR 43 1HG2 THR 43 -14.967 12.345 -14.647 373 H ILE 44 H ILE 44 -17.886 10.241 -12.666 374 HA ILE 44 HA ILE 44 -18.715 10.727 -15.453 375 HB ILE 44 HB ILE 44 -20.457 10.647 -12.979 376 1HG1 ILE 44 2HG1 ILE 44 -20.361 8.248 -14.665 377 2HG1 ILE 44 1HG1 ILE 44 -18.826 8.586 -13.865 378 1HG2 ILE 44 3HG2 ILE 44 -21.212 11.497 -15.354 379 2HG2 ILE 44 2HG2 ILE 44 -21.224 9.778 -15.750 380 3HG2 ILE 44 1HG2 ILE 44 -22.249 10.391 -14.452 381 1HD1 ILE 44 3HD1 ILE 44 -21.133 8.955 -12.096 382 2HD1 ILE 44 2HD1 ILE 44 -20.992 7.305 -12.703 383 3HD1 ILE 44 1HD1 ILE 44 -19.649 8.041 -11.828 384 H ASN 45 H ASN 45 -19.009 12.749 -16.254 385 HA ASN 45 HA ASN 45 -18.858 15.042 -14.405 386 1HB ASN 45 2HB ASN 45 -18.437 14.592 -17.290 387 2HB ASN 45 1HB ASN 45 -19.199 16.131 -16.890 388 1HD2 ASN 45 2HD2 ASN 45 -16.288 17.487 -15.381 389 2HD2 ASN 45 1HD2 ASN 45 -17.951 17.687 -15.655 390 H ALA 46 H ALA 46 -20.490 16.626 -14.253 391 HA ALA 46 HA ALA 46 -23.145 15.820 -14.053 392 1HB ALA 46 2HB ALA 46 -22.140 18.592 -14.754 393 2HB ALA 46 1HB ALA 46 -23.741 18.217 -14.114 394 3HB ALA 46 3HB ALA 46 -22.308 17.937 -13.125 395 H ASP 47 H ASP 47 -21.415 16.504 -16.974 396 HA ASP 47 HA ASP 47 -23.831 17.028 -18.550 397 1HB ASP 47 2HB ASP 47 -20.953 16.502 -19.351 398 2HB ASP 47 1HB ASP 47 -22.241 16.904 -20.487 399 H GLY 48 H GLY 48 -23.665 14.463 -17.040 400 1HA GLY 48 2HA GLY 48 -24.155 12.203 -17.400 401 2HA GLY 48 1HA GLY 48 -24.754 12.712 -18.982 402 H SER 49 H SER 49 -21.458 13.390 -18.087 403 HA SER 49 HA SER 49 -20.559 11.621 -20.288 404 1HB SER 49 2HB SER 49 -19.345 13.873 -18.728 405 2HB SER 49 1HB SER 49 -18.275 12.723 -19.524 406 HG SER 49 HG SER 49 -19.378 13.172 -21.470 407 H VAL 50 H VAL 50 -19.116 9.877 -19.965 408 HA VAL 50 HA VAL 50 -18.710 9.105 -17.102 409 HB VAL 50 HB VAL 50 -18.802 7.070 -19.319 410 1HG1 VAL 50 2HG1 VAL 50 -18.970 7.164 -16.342 411 2HG1 VAL 50 1HG1 VAL 50 -19.905 5.915 -17.164 412 3HG1 VAL 50 3HG1 VAL 50 -18.158 5.998 -17.385 413 1HG2 VAL 50 3HG2 VAL 50 -20.931 8.699 -19.074 414 2HG2 VAL 50 2HG2 VAL 50 -21.105 6.973 -19.379 415 3HG2 VAL 50 1HG2 VAL 50 -21.279 7.599 -17.741 416 OH TYR 51 OH TYR 51 -8.490 9.869 -17.869 417 H TYR 51 H TYR 51 -16.590 9.225 -16.587 418 HA TYR 51 HA TYR 51 -14.596 8.577 -18.723 419 1HB TYR 51 2HB TYR 51 -14.514 10.967 -18.246 420 2HB TYR 51 1HB TYR 51 -14.420 10.651 -16.514 421 HD1 TYR 51 HD2 TYR 51 -12.700 8.791 -19.243 422 HD2 TYR 51 HD1 TYR 51 -12.281 11.534 -15.964 423 HE1 TYR 51 HE2 TYR 51 -10.233 8.610 -19.408 424 HE2 TYR 51 HE1 TYR 51 -9.813 11.353 -16.128 425 HH TYR 51 HH TYR 51 -8.283 9.316 -18.626 426 H ALA 52 H ALA 52 -14.719 6.361 -17.855 427 HA ALA 52 HA ALA 52 -13.938 5.883 -15.086 428 1HB ALA 52 2HB ALA 52 -15.399 4.307 -16.323 429 2HB ALA 52 1HB ALA 52 -14.074 3.969 -17.436 430 3HB ALA 52 3HB ALA 52 -13.938 3.512 -15.738 431 H GLU 53 H GLU 53 -11.903 5.415 -14.331 432 HA GLU 53 HA GLU 53 -9.700 5.165 -16.333 433 1HB GLU 53 2HB GLU 53 -10.173 7.354 -14.502 434 2HB GLU 53 1HB GLU 53 -8.654 6.546 -14.111 435 1HG GLU 53 2HG GLU 53 -8.353 6.622 -16.758 436 2HG GLU 53 1HG GLU 53 -9.441 7.999 -16.598 437 H GLU 54 H GLU 54 -7.690 4.381 -15.255 438 HA GLU 54 HA GLU 54 -8.349 2.494 -13.031 439 1HB GLU 54 2HB GLU 54 -7.927 1.357 -15.220 440 2HB GLU 54 1HB GLU 54 -6.323 2.091 -15.258 441 1HG GLU 54 2HG GLU 54 -5.500 0.528 -13.861 442 2HG GLU 54 1HG GLU 54 -6.802 0.804 -12.702 443 H VAL 55 H VAL 55 -6.992 2.610 -11.266 444 HA VAL 55 HA VAL 55 -4.353 3.885 -11.530 445 HB VAL 55 HB VAL 55 -5.752 5.083 -9.273 446 1HG1 VAL 55 1HG1 VAL 55 -3.554 5.723 -10.428 447 2HG1 VAL 55 3HG1 VAL 55 -4.554 6.432 -11.697 448 3HG1 VAL 55 2HG1 VAL 55 -4.654 7.048 -10.047 449 1HG2 VAL 55 1HG2 VAL 55 -7.673 4.857 -10.910 450 2HG2 VAL 55 3HG2 VAL 55 -7.275 6.521 -10.483 451 3HG2 VAL 55 2HG2 VAL 55 -6.752 5.859 -12.031 452 H LYS 56 H LYS 56 -3.196 2.269 -10.596 453 HA LYS 56 HA LYS 56 -3.960 1.480 -7.832 454 1HB LYS 56 2HB LYS 56 -4.865 -0.367 -8.935 455 2HB LYS 56 1HB LYS 56 -3.661 -0.319 -10.219 456 1HG LYS 56 2HG LYS 56 -2.238 -1.661 -9.071 457 2HG LYS 56 1HG LYS 56 -2.495 -0.781 -7.563 458 1HD LYS 56 2HD LYS 56 -3.296 -3.128 -7.414 459 2HD LYS 56 1HD LYS 56 -4.608 -1.969 -7.202 460 1HE LYS 56 2HE LYS 56 -5.473 -2.367 -9.355 461 2HE LYS 56 1HE LYS 56 -3.964 -3.077 -9.929 462 1HZ LYS 56 1HZ LYS 56 -4.493 -4.764 -8.002 463 2HZ LYS 56 3HZ LYS 56 -6.085 -4.270 -8.310 464 3HZ LYS 56 2HZ LYS 56 -5.154 -4.955 -9.555 465 HA PRO 57 HA PRO 57 0.380 2.211 -7.393 466 1HB PRO 57 2HB PRO 57 0.571 1.388 -4.776 467 2HB PRO 57 1HB PRO 57 -0.091 2.957 -5.271 468 1HG PRO 57 2HG PRO 57 -1.535 0.528 -4.309 469 2HG PRO 57 1HG PRO 57 -2.006 2.233 -4.198 470 1HD PRO 57 2HD PRO 57 -3.011 0.365 -6.063 471 2HD PRO 57 1HD PRO 57 -3.189 2.130 -6.160 472 H PHE 58 H PHE 58 2.271 0.990 -7.514 473 HA PHE 58 HA PHE 58 1.923 -1.958 -7.647 474 1HB PHE 58 2HB PHE 58 2.986 -1.142 -9.600 475 2HB PHE 58 1HB PHE 58 3.991 -0.019 -8.691 476 HD1 PHE 58 HD1 PHE 58 5.721 -1.050 -7.043 477 HD2 PHE 58 HD2 PHE 58 3.817 -3.257 -10.198 478 HE1 PHE 58 HE1 PHE 58 7.525 -2.746 -6.944 479 HE2 PHE 58 HE2 PHE 58 5.622 -4.957 -10.097 480 HZ PHE 58 HZ PHE 58 7.476 -4.701 -8.470 481 HA PRO 59 HA PRO 59 3.179 -3.593 -7.720 482 1HB PRO 59 2HB PRO 59 3.295 -5.833 -6.140 483 2HB PRO 59 1HB PRO 59 4.720 -5.104 -6.901 484 1HG PRO 59 2HG PRO 59 3.883 -5.036 -4.045 485 2HG PRO 59 1HG PRO 59 5.501 -4.875 -4.743 486 1HD PRO 59 2HD PRO 59 3.863 -2.758 -3.791 487 2HD PRO 59 1HD PRO 59 5.360 -2.592 -4.733 488 H SER 60 H SER 60 1.619 -5.838 -7.027 489 HA SER 60 HA SER 60 -0.943 -4.527 -6.412 490 1HB SER 60 2HB SER 60 -0.540 -6.320 -8.236 491 2HB SER 60 1HB SER 60 -0.539 -7.477 -6.908 492 HG SER 60 HG SER 60 -2.610 -6.666 -6.333 493 H ASN 61 H ASN 61 1.056 -7.165 -5.077 494 HA ASN 61 HA ASN 61 -0.688 -7.329 -2.703 495 1HB ASN 61 2HB ASN 61 1.955 -8.744 -3.062 496 2HB ASN 61 1HB ASN 61 0.561 -9.248 -2.104 497 1HD2 ASN 61 2HD2 ASN 61 0.574 -11.171 -5.337 498 2HD2 ASN 61 1HD2 ASN 61 1.694 -10.991 -4.074 499 H LYS 62 H LYS 62 1.449 -7.896 -0.828 500 HA LYS 62 HA LYS 62 2.891 -6.774 0.645 501 1HB LYS 62 2HB LYS 62 3.598 -5.864 -1.960 502 2HB LYS 62 1HB LYS 62 3.587 -4.459 -0.894 503 1HG LYS 62 2HG LYS 62 4.807 -6.801 0.361 504 2HG LYS 62 1HG LYS 62 5.647 -6.308 -1.110 505 1HD LYS 62 2HD LYS 62 6.458 -4.437 -0.136 506 2HD LYS 62 1HD LYS 62 4.889 -4.030 0.559 507 1HE LYS 62 2HE LYS 62 6.514 -4.455 2.347 508 2HE LYS 62 1HE LYS 62 5.268 -5.702 2.352 509 1HZ LYS 62 2HZ LYS 62 7.642 -6.185 0.724 510 2HZ LYS 62 1HZ LYS 62 7.829 -6.280 2.411 511 3HZ LYS 62 3HZ LYS 62 6.703 -7.276 1.626 512 H LYS 63 H LYS 63 3.214 -4.263 1.428 513 HA LYS 63 HA LYS 63 0.632 -2.823 1.265 514 1HB LYS 63 2HB LYS 63 0.967 -4.601 3.303 515 2HB LYS 63 1HB LYS 63 1.651 -3.145 4.026 516 1HG LYS 63 2HG LYS 63 -0.428 -1.908 3.353 517 2HG LYS 63 1HG LYS 63 -1.113 -3.444 2.821 518 1HD LYS 63 2HD LYS 63 -0.904 -4.360 5.078 519 2HD LYS 63 1HD LYS 63 -0.123 -2.878 5.630 520 1HE LYS 63 2HE LYS 63 -2.315 -2.467 6.276 521 2HE LYS 63 1HE LYS 63 -2.310 -1.744 4.667 522 1HZ LYS 63 2HZ LYS 63 -3.193 -3.806 3.773 523 2HZ LYS 63 1HZ LYS 63 -3.200 -4.501 5.324 524 3HZ LYS 63 3HZ LYS 63 -4.219 -3.190 4.979 525 H THR 64 H THR 64 0.996 -0.639 1.278 526 HA THR 64 HA THR 64 3.475 0.395 2.547 527 HB THR 64 HB THR 64 4.107 0.036 0.214 528 HG1 THR 64 HG1 THR 64 4.923 1.907 1.046 529 1HG2 THR 64 2HG2 THR 64 1.432 0.512 -0.305 530 2HG2 THR 64 1HG2 THR 64 2.219 1.960 -0.933 531 3HG2 THR 64 3HG2 THR 64 2.699 0.367 -1.523 532 H THR 65 H THR 65 3.396 2.873 2.564 533 HA THR 65 HA THR 65 0.587 3.704 3.111 534 HB THR 65 HB THR 65 2.553 5.658 3.908 535 HG1 THR 65 HG1 THR 65 2.911 3.144 5.128 536 1HG2 THR 65 1HG2 THR 65 0.240 5.243 4.828 537 2HG2 THR 65 3HG2 THR 65 0.875 3.793 5.604 538 3HG2 THR 65 2HG2 THR 65 1.497 5.380 6.056 539 H ALA 66 HN ALA 66 -0.096 5.842 2.362 540 HA ALA 66 HA ALA 66 0.922 6.421 -0.327 541 1HB ALA 66 3HB ALA 66 -1.461 7.093 1.268 542 2HB ALA 66 2HB ALA 66 -0.892 8.410 0.242 543 3HB ALA 66 1HB ALA 66 -1.305 6.852 -0.473 544 1H MET 1 3H MET 1 6.677 19.108 -11.050 545 2H MET 1 2H MET 1 7.612 20.434 -11.556 546 3H MET 1 1H MET 1 6.171 20.047 -12.369 547 HA MET 1 HA MET 1 7.067 18.204 -13.404 548 1HB MET 1 2HB MET 1 9.413 20.102 -13.105 549 2HB MET 1 1HB MET 1 9.121 18.988 -14.442 550 1HG MET 1 2HG MET 1 6.827 20.280 -14.621 551 2HG MET 1 1HG MET 1 7.709 21.547 -13.767 552 1HE MET 1 1HE MET 1 6.974 22.845 -15.464 553 2HE MET 1 3HE MET 1 8.546 23.559 -15.844 554 3HE MET 1 2HE MET 1 7.520 22.941 -17.137 555 H GLU 2 H GLU 2 7.047 16.793 -11.347 556 HA GLU 2 HA GLU 2 9.564 16.439 -9.935 557 1HB GLU 2 2HB GLU 2 6.917 15.042 -10.012 558 2HB GLU 2 1HB GLU 2 8.301 14.171 -9.351 559 1HG GLU 2 2HG GLU 2 8.101 16.941 -8.392 560 2HG GLU 2 1HG GLU 2 6.726 15.936 -7.932 561 H GLN 3 H GLN 3 10.492 14.057 -9.939 562 HA GLN 3 HA GLN 3 11.357 13.536 -12.682 563 1HB GLN 3 2HB GLN 3 11.931 11.845 -10.237 564 2HB GLN 3 1HB GLN 3 12.885 11.967 -11.716 565 1HG GLN 3 2HG GLN 3 13.047 14.502 -11.111 566 2HG GLN 3 1HG GLN 3 12.595 13.969 -9.491 567 1HE2 GLN 3 2HE2 GLN 3 15.713 12.390 -8.842 568 2HE2 GLN 3 1HE2 GLN 3 14.104 12.563 -8.332 569 NH1 ARG 4 NH1 ARG 4 4.503 11.027 -11.951 570 NH2 ARG 4 NH2 ARG 4 3.952 12.602 -10.428 571 H ARG 4 H ARG 4 9.925 12.490 -13.994 572 HA ARG 4 HA ARG 4 8.379 10.214 -12.826 573 1HB ARG 4 2HB ARG 4 7.698 11.463 -15.468 574 2HB ARG 4 1HB ARG 4 6.634 10.690 -14.293 575 1HG ARG 4 2HG ARG 4 8.004 13.374 -13.952 576 2HG ARG 4 1HG ARG 4 6.287 13.122 -14.274 577 1HD ARG 4 2HD ARG 4 6.988 11.502 -12.036 578 2HD ARG 4 1HD ARG 4 7.636 13.116 -11.747 579 HE ARG 4 HE ARG 4 5.296 13.968 -12.157 580 1HH1 ARG 4 1HH1 ARG 4 3.835 10.403 -11.548 581 2HH1 ARG 4 2HH1 ARG 4 5.051 10.736 -12.736 582 1HH2 ARG 4 1HH2 ARG 4 4.076 13.518 -10.044 583 2HH2 ARG 4 2HH2 ARG 4 3.282 11.979 -10.025 584 H ILE 5 H ILE 5 9.542 8.382 -13.241 585 HA ILE 5 HA ILE 5 10.511 7.989 -16.044 586 HB ILE 5 HB ILE 5 11.760 6.608 -13.681 587 1HG1 ILE 5 2HG1 ILE 5 11.927 8.932 -13.069 588 2HG1 ILE 5 1HG1 ILE 5 13.487 8.468 -13.747 589 1HG2 ILE 5 1HG2 ILE 5 12.172 6.774 -16.533 590 2HG2 ILE 5 3HG2 ILE 5 13.609 7.344 -15.686 591 3HG2 ILE 5 2HG2 ILE 5 12.975 5.731 -15.360 592 1HD1 ILE 5 3HD1 ILE 5 11.891 9.283 -15.933 593 2HD1 ILE 5 2HD1 ILE 5 11.650 10.491 -14.670 594 3HD1 ILE 5 1HD1 ILE 5 13.277 10.131 -15.247 595 H THR 6 H THR 6 9.882 6.067 -17.005 596 HA THR 6 HA THR 6 7.730 4.574 -15.811 597 HB THR 6 HB THR 6 9.372 3.456 -18.059 598 HG1 THR 6 HG1 THR 6 8.035 4.927 -19.384 599 1HG2 THR 6 1HG2 THR 6 6.764 3.090 -16.915 600 2HG2 THR 6 3HG2 THR 6 6.591 3.619 -18.589 601 3HG2 THR 6 2HG2 THR 6 7.534 2.177 -18.214 602 H LEU 7 H LEU 7 7.755 2.399 -15.041 603 HA LEU 7 HA LEU 7 9.906 1.653 -13.368 604 1HB LEU 7 2HB LEU 7 7.718 0.695 -13.007 605 2HB LEU 7 1HB LEU 7 7.704 -0.009 -14.622 606 HG LEU 7 HG LEU 7 9.605 -1.451 -14.026 607 1HD1 LEU 7 3HD1 LEU 7 9.579 0.301 -11.640 608 2HD1 LEU 7 2HD1 LEU 7 9.853 -1.411 -11.314 609 3HD1 LEU 7 1HD1 LEU 7 10.927 -0.538 -12.407 610 1HD2 LEU 7 3HD2 LEU 7 7.025 -1.824 -13.327 611 2HD2 LEU 7 2HD2 LEU 7 8.284 -3.005 -12.965 612 3HD2 LEU 7 1HD2 LEU 7 7.760 -1.867 -11.724 613 H LYS 8 H LYS 8 9.570 1.355 -16.774 614 HA LYS 8 HA LYS 8 11.520 -0.847 -16.969 615 1HB LYS 8 2HB LYS 8 11.031 -0.874 -19.288 616 2HB LYS 8 1HB LYS 8 9.489 -0.500 -18.517 617 1HG LYS 8 2HG LYS 8 9.530 1.156 -20.135 618 2HG LYS 8 1HG LYS 8 10.343 2.002 -18.817 619 1HD LYS 8 2HD LYS 8 11.954 2.361 -20.397 620 2HD LYS 8 1HD LYS 8 12.461 0.733 -19.947 621 1HE LYS 8 2HE LYS 8 12.224 0.312 -22.175 622 2HE LYS 8 1HE LYS 8 10.514 0.170 -21.770 623 1HZ LYS 8 1HZ LYS 8 11.675 2.803 -22.395 624 2HZ LYS 8 3HZ LYS 8 11.232 1.753 -23.651 625 3HZ LYS 8 2HZ LYS 8 10.064 2.280 -22.535 626 H ASP 9 H ASP 9 11.403 2.651 -17.358 627 HA ASP 9 HA ASP 9 14.059 2.777 -18.574 628 1HB ASP 9 2HB ASP 9 12.343 4.968 -17.365 629 2HB ASP 9 1HB ASP 9 13.799 5.222 -18.326 630 OH TYR 10 OH TYR 10 16.564 4.296 -8.177 631 H TYR 10 H TYR 10 12.726 2.985 -15.331 632 HA TYR 10 HA TYR 10 15.225 4.000 -14.194 633 1HB TYR 10 2HB TYR 10 13.004 4.493 -13.170 634 2HB TYR 10 1HB TYR 10 12.827 2.779 -12.797 635 HD1 TYR 10 HD2 TYR 10 15.819 5.024 -12.614 636 HD2 TYR 10 HD1 TYR 10 13.030 2.558 -10.472 637 HE1 TYR 10 HE2 TYR 10 17.139 5.335 -10.537 638 HE2 TYR 10 HE1 TYR 10 14.349 2.869 -8.395 639 HH TYR 10 HH TYR 10 15.953 4.321 -7.437 640 H ALA 11 H ALA 11 13.597 0.883 -14.528 641 HA ALA 11 HA ALA 11 15.593 -0.528 -12.931 642 1HB ALA 11 1HB ALA 11 13.017 -1.093 -13.814 643 2HB ALA 11 3HB ALA 11 14.030 -2.177 -14.768 644 3HB ALA 11 2HB ALA 11 14.103 -2.224 -13.007 645 H MET 12 H MET 12 15.150 0.252 -16.335 646 HA MET 12 HA MET 12 17.272 -1.648 -17.125 647 1HB MET 12 2HB MET 12 15.451 0.222 -18.631 648 2HB MET 12 1HB MET 12 16.836 -0.532 -19.420 649 1HG MET 12 2HG MET 12 15.434 -2.529 -17.908 650 2HG MET 12 1HG MET 12 14.281 -1.679 -18.938 651 1HE MET 12 3HE MET 12 13.758 -2.151 -20.937 652 2HE MET 12 2HE MET 12 14.518 -3.222 -22.111 653 3HE MET 12 1HE MET 12 13.842 -3.890 -20.629 654 NH1 ARG 13 NH1 ARG 13 21.178 5.745 -19.006 655 NH2 ARG 13 NH2 ARG 13 19.868 7.126 -20.226 656 H ARG 13 H ARG 13 16.785 1.836 -16.786 657 HA ARG 13 HA ARG 13 19.470 2.420 -17.818 658 1HB ARG 13 2HB ARG 13 17.454 4.235 -16.461 659 2HB ARG 13 1HB ARG 13 18.910 4.759 -17.308 660 1HG ARG 13 2HG ARG 13 17.586 3.066 -19.116 661 2HG ARG 13 1HG ARG 13 16.315 4.058 -18.402 662 1HD ARG 13 2HD ARG 13 17.186 5.236 -20.330 663 2HD ARG 13 1HD ARG 13 17.724 6.086 -18.881 664 HE ARG 13 HE ARG 13 19.518 4.141 -20.271 665 1HH1 ARG 13 2HH1 ARG 13 21.349 4.846 -18.604 666 2HH1 ARG 13 1HH1 ARG 13 21.838 6.486 -18.877 667 1HH2 ARG 13 1HH2 ARG 13 19.036 7.286 -20.757 668 2HH2 ARG 13 2HH2 ARG 13 20.528 7.865 -20.097 669 H PHE 14 H PHE 14 18.075 1.636 -14.761 670 HA PHE 14 HA PHE 14 20.613 2.520 -13.445 671 1HB PHE 14 2HB PHE 14 17.902 2.292 -12.109 672 2HB PHE 14 1HB PHE 14 19.381 2.950 -11.408 673 HD1 PHE 14 HD2 PHE 14 17.208 3.417 -14.435 674 HD2 PHE 14 HD1 PHE 14 19.675 5.261 -11.442 675 HE1 PHE 14 HE2 PHE 14 16.655 5.651 -15.357 676 HE2 PHE 14 HE1 PHE 14 19.123 7.496 -12.365 677 HZ PHE 14 HZ PHE 14 17.613 7.691 -14.322 678 H GLY 15 H GLY 15 18.161 0.018 -13.761 679 1HA GLY 15 2HA GLY 15 19.179 -2.312 -13.652 680 2HA GLY 15 1HA GLY 15 19.912 -1.784 -12.137 681 H GLN 16 H GLN 16 17.863 -3.940 -12.775 682 HA GLN 16 HA GLN 16 15.387 -3.047 -11.535 683 1HB GLN 16 2HB GLN 16 16.352 -5.898 -11.876 684 2HB GLN 16 1HB GLN 16 14.685 -5.343 -11.712 685 1HG GLN 16 2HG GLN 16 14.760 -4.245 -13.856 686 2HG GLN 16 1HG GLN 16 16.498 -4.515 -13.994 687 1HE2 GLN 16 2HE2 GLN 16 16.148 -7.803 -15.237 688 2HE2 GLN 16 1HE2 GLN 16 17.209 -6.555 -14.790 689 H THR 17 H THR 17 18.440 -4.170 -10.379 690 HA THR 17 HA THR 17 17.483 -5.213 -7.843 691 HB THR 17 HB THR 17 20.253 -4.183 -8.525 692 HG1 THR 17 HG1 THR 17 19.644 -6.885 -8.554 693 1HG2 THR 17 3HG2 THR 17 19.024 -5.434 -6.192 694 2HG2 THR 17 2HG2 THR 17 20.402 -6.357 -6.792 695 3HG2 THR 17 1HG2 THR 17 20.603 -4.662 -6.348 696 H LYS 18 H LYS 18 18.711 -2.080 -8.974 697 HA LYS 18 HA LYS 18 18.646 -0.900 -6.313 698 1HB LYS 18 2HB LYS 18 18.727 0.475 -9.015 699 2HB LYS 18 1HB LYS 18 19.129 1.202 -7.458 700 1HG LYS 18 2HG LYS 18 21.212 0.331 -7.488 701 2HG LYS 18 1HG LYS 18 20.609 -1.270 -7.917 702 1HD LYS 18 2HD LYS 18 20.859 -0.913 -10.175 703 2HD LYS 18 1HD LYS 18 20.535 0.816 -10.044 704 1HE LYS 18 2HE LYS 18 22.888 0.475 -10.607 705 2HE LYS 18 1HE LYS 18 22.764 1.117 -8.969 706 1HZ LYS 18 2HZ LYS 18 22.624 -1.542 -8.567 707 2HZ LYS 18 1HZ LYS 18 23.709 -1.450 -9.870 708 3HZ LYS 18 3HZ LYS 18 24.041 -0.616 -8.432 709 H THR 19 H THR 19 16.533 -0.825 -9.167 710 HA THR 19 HA THR 19 14.628 1.036 -8.150 711 HB THR 19 HB THR 19 14.242 -1.302 -10.047 712 HG1 THR 19 HG1 THR 19 14.169 0.680 -11.473 713 1HG2 THR 19 3HG2 THR 19 12.330 0.442 -8.793 714 2HG2 THR 19 2HG2 THR 19 12.387 0.792 -10.519 715 3HG2 THR 19 1HG2 THR 19 12.042 -0.846 -9.963 716 H ALA 20 H ALA 20 14.994 -2.452 -7.691 717 HA ALA 20 HA ALA 20 12.472 -2.737 -6.261 718 1HB ALA 20 2HB ALA 20 14.247 -4.501 -7.425 719 2HB ALA 20 1HB ALA 20 14.550 -4.743 -5.705 720 3HB ALA 20 3HB ALA 20 12.924 -4.959 -6.353 721 H LYS 21 H LYS 21 15.700 -1.774 -5.447 722 HA LYS 21 HA LYS 21 15.482 -2.357 -2.603 723 1HB LYS 21 2HB LYS 21 17.408 -0.859 -4.348 724 2HB LYS 21 1HB LYS 21 17.458 -0.605 -2.603 725 1HG LYS 21 2HG LYS 21 17.502 -3.357 -3.860 726 2HG LYS 21 1HG LYS 21 18.970 -2.460 -3.473 727 1HD LYS 21 2HD LYS 21 18.264 -2.315 -1.113 728 2HD LYS 21 1HD LYS 21 16.797 -3.216 -1.495 729 1HE LYS 21 2HE LYS 21 19.619 -4.250 -1.899 730 2HE LYS 21 1HE LYS 21 18.571 -4.679 -0.547 731 1HZ LYS 21 1HZ LYS 21 16.930 -5.453 -2.234 732 2HZ LYS 21 3HZ LYS 21 18.121 -5.239 -3.424 733 3HZ LYS 21 2HZ LYS 21 18.362 -6.366 -2.176 734 H ASP 22 H ASP 22 14.755 0.378 -4.693 735 HA ASP 22 HA ASP 22 14.313 2.207 -2.452 736 1HB ASP 22 2HB ASP 22 14.592 2.436 -5.273 737 2HB ASP 22 1HB ASP 22 13.004 3.080 -4.853 738 H LEU 23 H LEU 23 12.328 0.228 -4.611 739 HA LEU 23 HA LEU 23 9.863 1.137 -3.259 740 1HB LEU 23 2HB LEU 23 10.321 -0.827 -5.523 741 2HB LEU 23 1HB LEU 23 8.734 -0.371 -4.900 742 HG LEU 23 HG LEU 23 10.374 1.965 -5.473 743 1HD1 LEU 23 2HD1 LEU 23 10.171 -0.194 -7.505 744 2HD1 LEU 23 1HD1 LEU 23 9.840 1.447 -8.063 745 3HD1 LEU 23 3HD1 LEU 23 11.391 1.066 -7.316 746 1HD2 LEU 23 3HD2 LEU 23 7.710 1.326 -5.302 747 2HD2 LEU 23 2HD2 LEU 23 8.332 2.806 -6.032 748 3HD2 LEU 23 1HD2 LEU 23 7.937 1.420 -7.048 749 H GLY 24 H GLY 24 12.239 -1.097 -2.627 750 1HA GLY 24 2HA GLY 24 12.328 -3.017 -1.280 751 2HA GLY 24 1HA GLY 24 10.923 -2.326 -0.466 752 H VAL 25 H VAL 25 11.312 -3.579 -3.795 753 HA VAL 25 HA VAL 25 9.056 -5.448 -3.184 754 HB VAL 25 HB VAL 25 8.957 -5.331 -5.866 755 1HG1 VAL 25 1HG1 VAL 25 7.289 -4.652 -3.938 756 2HG1 VAL 25 3HG1 VAL 25 7.773 -3.013 -4.375 757 3HG1 VAL 25 2HG1 VAL 25 7.026 -4.063 -5.579 758 1HG2 VAL 25 2HG2 VAL 25 10.864 -3.751 -6.002 759 2HG2 VAL 25 1HG2 VAL 25 9.380 -3.023 -6.614 760 3HG2 VAL 25 3HG2 VAL 25 9.971 -2.601 -5.008 761 OH TYR 26 OH TYR 26 6.158 -9.175 -1.177 762 H TYR 26 H TYR 26 9.156 -7.272 -5.091 763 HA TYR 26 HA TYR 26 11.800 -8.542 -4.685 764 1HB TYR 26 2HB TYR 26 9.615 -9.911 -6.192 765 2HB TYR 26 1HB TYR 26 10.742 -10.569 -5.007 766 HD1 TYR 26 HD2 TYR 26 10.483 -9.570 -2.554 767 HD2 TYR 26 HD1 TYR 26 7.399 -9.567 -5.544 768 HE1 TYR 26 HE2 TYR 26 8.766 -9.328 -0.782 769 HE2 TYR 26 HE1 TYR 26 5.681 -9.323 -3.771 770 HH TYR 26 HH TYR 26 6.491 -8.553 -0.524 771 H GLN 27 H GLN 27 12.935 -9.513 -6.531 772 HA GLN 27 HA GLN 27 13.129 -7.737 -8.779 773 1HB GLN 27 2HB GLN 27 14.185 -10.533 -8.286 774 2HB GLN 27 1HB GLN 27 14.538 -9.627 -9.757 775 1HG GLN 27 2HG GLN 27 15.606 -7.860 -8.490 776 2HG GLN 27 1HG GLN 27 15.103 -8.592 -6.965 777 1HE2 GLN 27 2HE2 GLN 27 18.284 -10.181 -9.009 778 2HE2 GLN 27 1HE2 GLN 27 17.246 -9.087 -9.788 779 H SER 28 H SER 28 11.342 -10.700 -8.177 780 HA SER 28 HA SER 28 10.567 -11.073 -10.966 781 1HB SER 28 2HB SER 28 9.723 -12.299 -8.345 782 2HB SER 28 1HB SER 28 8.816 -12.622 -9.819 783 HG SER 28 HG SER 28 10.988 -13.138 -10.720 784 H ALA 29 H ALA 29 9.617 -8.967 -8.482 785 HA ALA 29 HA ALA 29 6.821 -8.712 -9.356 786 1HB ALA 29 3HB ALA 29 8.372 -7.903 -7.076 787 2HB ALA 29 2HB ALA 29 7.631 -6.472 -7.792 788 3HB ALA 29 1HB ALA 29 6.623 -7.829 -7.290 789 H ILE 30 H ILE 30 9.899 -7.049 -9.722 790 HA ILE 30 HA ILE 30 8.742 -4.854 -11.272 791 HB ILE 30 HB ILE 30 11.546 -5.737 -10.576 792 1HG1 ILE 30 2HG1 ILE 30 10.434 -2.988 -10.190 793 2HG1 ILE 30 1HG1 ILE 30 9.824 -4.277 -9.152 794 1HG2 ILE 30 1HG2 ILE 30 10.641 -3.915 -12.756 795 2HG2 ILE 30 3HG2 ILE 30 12.019 -3.395 -11.786 796 3HG2 ILE 30 2HG2 ILE 30 12.084 -4.925 -12.662 797 1HD1 ILE 30 1HD1 ILE 30 12.778 -3.754 -9.557 798 2HD1 ILE 30 3HD1 ILE 30 11.845 -3.030 -8.247 799 3HD1 ILE 30 2HD1 ILE 30 12.024 -4.782 -8.337 800 H ASN 31 H ASN 31 10.093 -8.017 -11.845 801 HA ASN 31 HA ASN 31 10.547 -7.636 -14.697 802 1HB ASN 31 2HB ASN 31 11.672 -9.390 -13.235 803 2HB ASN 31 1HB ASN 31 10.136 -10.257 -13.235 804 1HD2 ASN 31 2HD2 ASN 31 12.132 -11.590 -16.080 805 2HD2 ASN 31 1HD2 ASN 31 12.294 -11.566 -14.391 806 H LYS 32 H LYS 32 7.918 -8.884 -12.679 807 HA LYS 32 HA LYS 32 6.317 -9.772 -14.934 808 1HB LYS 32 2HB LYS 32 5.606 -9.208 -12.041 809 2HB LYS 32 1HB LYS 32 4.487 -9.901 -13.216 810 1HG LYS 32 2HG LYS 32 5.871 -11.848 -13.507 811 2HG LYS 32 1HG LYS 32 7.184 -11.122 -12.578 812 1HD LYS 32 2HD LYS 32 6.288 -12.297 -10.844 813 2HD LYS 32 1HD LYS 32 5.138 -10.962 -10.780 814 1HE LYS 32 2HE LYS 32 3.805 -12.936 -10.838 815 2HE LYS 32 1HE LYS 32 3.740 -12.280 -12.473 816 1HZ LYS 32 3HZ LYS 32 5.978 -13.927 -12.316 817 2HZ LYS 32 2HZ LYS 32 4.685 -14.786 -11.627 818 3HZ LYS 32 1HZ LYS 32 4.560 -14.182 -13.210 819 H ALA 33 H ALA 33 6.564 -6.838 -12.987 820 HA ALA 33 HA ALA 33 4.225 -5.549 -14.066 821 1HB ALA 33 2HB ALA 33 6.106 -4.947 -12.104 822 2HB ALA 33 1HB ALA 33 6.403 -3.733 -13.347 823 3HB ALA 33 3HB ALA 33 4.798 -3.891 -12.634 824 H ILE 34 H ILE 34 7.614 -5.699 -15.043 825 HA ILE 34 HA ILE 34 7.302 -3.775 -17.209 826 HB ILE 34 HB ILE 34 9.446 -5.828 -16.586 827 1HG1 ILE 34 2HG1 ILE 34 9.168 -3.853 -15.042 828 2HG1 ILE 34 1HG1 ILE 34 10.734 -3.911 -15.852 829 1HG2 ILE 34 2HG2 ILE 34 9.337 -3.692 -18.736 830 2HG2 ILE 34 1HG2 ILE 34 10.790 -4.587 -18.291 831 3HG2 ILE 34 3HG2 ILE 34 9.412 -5.436 -18.991 832 1HD1 ILE 34 1HD1 ILE 34 9.716 -2.390 -17.634 833 2HD1 ILE 34 3HD1 ILE 34 8.362 -2.161 -16.528 834 3HD1 ILE 34 2HD1 ILE 34 9.984 -1.652 -16.055 835 H HIS 35 H HIS 35 7.093 -7.263 -16.836 836 HA HIS 35 HA HIS 35 7.014 -7.882 -19.651 837 1HB HIS 35 2HB HIS 35 6.378 -9.326 -17.103 838 2HB HIS 35 1HB HIS 35 5.805 -10.008 -18.626 839 HD1 HIS 35 HD1 HIS 35 7.509 -11.977 -18.496 840 HD2 HIS 35 HD2 HIS 35 9.286 -8.207 -18.589 841 HE1 HIS 35 HE1 HIS 35 9.970 -12.359 -18.957 842 H ALA 36 H ALA 36 4.588 -6.955 -17.277 843 HA ALA 36 HA ALA 36 2.371 -7.613 -19.091 844 1HB ALA 36 3HB ALA 36 2.423 -6.150 -16.434 845 2HB ALA 36 2HB ALA 36 0.960 -6.610 -17.306 846 3HB ALA 36 1HB ALA 36 2.039 -7.855 -16.676 847 H GLY 37 H GLY 37 4.471 -4.954 -18.530 848 1HA GLY 37 2HA GLY 37 4.353 -2.683 -19.191 849 2HA GLY 37 1HA GLY 37 3.762 -3.401 -20.689 850 NH1 ARG 38 NH2 ARG 38 -2.872 -4.820 -20.677 851 NH2 ARG 38 NH1 ARG 38 -1.830 -6.776 -20.232 852 H ARG 38 H ARG 38 2.163 -3.355 -17.510 853 HA ARG 38 HA ARG 38 -0.269 -2.307 -18.803 854 1HB ARG 38 2HB ARG 38 0.151 -4.070 -16.730 855 2HB ARG 38 1HB ARG 38 -0.280 -2.589 -15.873 856 1HG ARG 38 2HG ARG 38 -2.429 -3.152 -16.304 857 2HG ARG 38 1HG ARG 38 -2.099 -2.644 -17.961 858 1HD ARG 38 2HD ARG 38 -1.575 -5.451 -16.951 859 2HD ARG 38 1HD ARG 38 -3.075 -4.972 -17.746 860 HE ARG 38 HE ARG 38 -0.451 -4.630 -19.134 861 1HH1 ARG 38 1HH2 ARG 38 -3.020 -3.853 -20.475 862 2HH1 ARG 38 2HH2 ARG 38 -3.372 -5.258 -21.424 863 1HH2 ARG 38 2HH1 ARG 38 -1.180 -7.308 -19.688 864 2HH2 ARG 38 1HH1 ARG 38 -2.330 -7.212 -20.982 865 H LYS 39 H LYS 39 1.221 -0.265 -19.179 866 HA LYS 39 HA LYS 39 1.903 1.907 -18.525 867 1HB LYS 39 2HB LYS 39 -0.965 1.486 -18.282 868 2HB LYS 39 1HB LYS 39 -0.404 2.774 -17.215 869 1HG LYS 39 2HG LYS 39 -0.979 3.683 -19.432 870 2HG LYS 39 1HG LYS 39 0.751 3.844 -19.125 871 1HD LYS 39 2HD LYS 39 1.089 1.673 -20.370 872 2HD LYS 39 1HD LYS 39 -0.614 1.740 -20.823 873 1HE LYS 39 2HE LYS 39 -0.316 3.563 -22.221 874 2HE LYS 39 1HE LYS 39 1.082 4.154 -21.322 875 1HZ LYS 39 3HZ LYS 39 1.596 1.585 -22.398 876 2HZ LYS 39 2HZ LYS 39 1.104 2.648 -23.630 877 3HZ LYS 39 1HZ LYS 39 2.436 3.037 -22.650 878 H ILE 40 H ILE 40 3.381 0.880 -16.924 879 HA ILE 40 HA ILE 40 2.546 1.491 -14.120 880 HB ILE 40 HB ILE 40 4.897 -0.190 -15.042 881 1HG1 ILE 40 2HG1 ILE 40 2.111 -1.009 -14.155 882 2HG1 ILE 40 1HG1 ILE 40 2.812 -1.250 -15.755 883 1HG2 ILE 40 1HG2 ILE 40 4.629 0.978 -12.660 884 2HG2 ILE 40 3HG2 ILE 40 3.577 -0.407 -12.368 885 3HG2 ILE 40 2HG2 ILE 40 5.266 -0.660 -12.809 886 1HD1 ILE 40 3HD1 ILE 40 4.716 -2.468 -14.336 887 2HD1 ILE 40 2HD1 ILE 40 3.384 -2.686 -13.200 888 3HD1 ILE 40 1HD1 ILE 40 3.256 -3.322 -14.839 889 H PHE 41 H PHE 41 3.146 3.577 -13.736 890 HA PHE 41 HA PHE 41 5.686 4.564 -14.896 891 1HB PHE 41 2HB PHE 41 3.699 6.164 -13.280 892 2HB PHE 41 1HB PHE 41 4.873 6.750 -14.460 893 HD1 PHE 41 HD1 PHE 41 4.630 5.728 -16.897 894 HD2 PHE 41 HD2 PHE 41 1.478 5.831 -13.976 895 HE1 PHE 41 HE1 PHE 41 2.949 5.491 -18.700 896 HE2 PHE 41 HE2 PHE 41 -0.199 5.595 -15.788 897 HZ PHE 41 HZ PHE 41 0.534 5.425 -18.145 898 H LEU 42 H LEU 42 7.124 5.851 -13.457 899 HA LEU 42 HA LEU 42 7.112 4.829 -10.643 900 1HB LEU 42 2HB LEU 42 8.993 4.273 -12.692 901 2HB LEU 42 1HB LEU 42 9.778 5.398 -11.585 902 HG LEU 42 HG LEU 42 9.211 3.932 -9.686 903 1HD1 LEU 42 3HD1 LEU 42 7.135 2.999 -10.883 904 2HD1 LEU 42 2HD1 LEU 42 8.245 1.924 -11.729 905 3HD1 LEU 42 1HD1 LEU 42 8.104 1.839 -9.975 906 1HD2 LEU 42 1HD2 LEU 42 10.861 3.121 -11.991 907 2HD2 LEU 42 3HD2 LEU 42 11.288 3.217 -10.283 908 3HD2 LEU 42 2HD2 LEU 42 10.445 1.796 -10.903 909 H THR 43 H THR 43 6.411 6.735 -9.663 910 HA THR 43 HA THR 43 7.644 9.301 -10.447 911 HB THR 43 HB THR 43 5.570 8.680 -8.323 912 HG1 THR 43 HG1 THR 43 5.248 8.430 -10.785 913 1HG2 THR 43 2HG2 THR 43 7.080 10.879 -8.352 914 2HG2 THR 43 1HG2 THR 43 5.919 11.362 -9.589 915 3HG2 THR 43 3HG2 THR 43 5.360 10.950 -7.969 916 H ILE 44 H ILE 44 9.588 9.793 -9.555 917 HA ILE 44 HA ILE 44 10.232 8.726 -6.851 918 HB ILE 44 HB ILE 44 12.138 10.223 -8.648 919 1HG1 ILE 44 2HG1 ILE 44 12.541 7.434 -8.947 920 2HG1 ILE 44 1HG1 ILE 44 10.820 7.717 -9.217 921 1HG2 ILE 44 1HG2 ILE 44 12.334 8.249 -6.376 922 2HG2 ILE 44 3HG2 ILE 44 13.687 8.501 -7.477 923 3HG2 ILE 44 2HG2 ILE 44 13.071 9.845 -6.513 924 1HD1 ILE 44 3HD1 ILE 44 11.978 9.815 -10.579 925 2HD1 ILE 44 2HD1 ILE 44 13.126 8.507 -10.860 926 3HD1 ILE 44 1HD1 ILE 44 11.434 8.309 -11.318 927 H ASN 45 H ASN 45 9.283 10.153 -5.400 928 HA ASN 45 HA ASN 45 8.896 12.911 -5.690 929 1HB ASN 45 2HB ASN 45 9.603 11.451 -3.130 930 2HB ASN 45 1HB ASN 45 8.796 13.015 -3.242 931 1HD2 ASN 45 2HD2 ASN 45 5.981 10.726 -2.875 932 2HD2 ASN 45 1HD2 ASN 45 7.161 11.489 -1.924 933 H ALA 46 H ALA 46 10.171 14.690 -5.489 934 HA ALA 46 HA ALA 46 12.891 14.703 -5.987 935 1HB ALA 46 3HB ALA 46 11.000 16.635 -5.480 936 2HB ALA 46 2HB ALA 46 12.107 16.834 -4.123 937 3HB ALA 46 1HB ALA 46 12.709 16.950 -5.776 938 H ASP 47 H ASP 47 11.378 13.923 -2.953 939 HA ASP 47 HA ASP 47 13.815 14.394 -1.391 940 1HB ASP 47 2HB ASP 47 11.022 13.672 -0.852 941 2HB ASP 47 1HB ASP 47 12.173 12.793 0.155 942 H GLY 48 H GLY 48 13.978 12.521 -3.689 943 1HA GLY 48 2HA GLY 48 14.979 10.456 -4.151 944 2HA GLY 48 1HA GLY 48 15.519 10.455 -2.471 945 H SER 49 H SER 49 12.137 10.806 -2.907 946 HA SER 49 HA SER 49 11.744 8.091 -1.788 947 1HB SER 49 2HB SER 49 10.182 9.219 -0.619 948 2HB SER 49 1HB SER 49 10.347 10.632 -1.655 949 HG SER 49 HG SER 49 8.949 9.592 -3.141 950 H VAL 50 H VAL 50 10.298 6.562 -2.786 951 HA VAL 50 HA VAL 50 9.994 7.027 -5.726 952 HB VAL 50 HB VAL 50 10.049 4.347 -4.321 953 1HG1 VAL 50 2HG1 VAL 50 9.016 4.557 -6.615 954 2HG1 VAL 50 1HG1 VAL 50 10.583 5.112 -7.206 955 3HG1 VAL 50 3HG1 VAL 50 10.413 3.483 -6.552 956 1HG2 VAL 50 1HG2 VAL 50 12.217 6.206 -4.975 957 2HG2 VAL 50 3HG2 VAL 50 12.252 4.748 -3.983 958 3HG2 VAL 50 2HG2 VAL 50 12.421 4.627 -5.734 959 OH TYR 51 OH TYR 51 -0.040 6.531 -4.213 960 H TYR 51 H TYR 51 8.043 6.284 -6.720 961 HA TYR 51 HA TYR 51 5.835 5.330 -5.047 962 1HB TYR 51 2HB TYR 51 5.925 7.875 -4.756 963 2HB TYR 51 1HB TYR 51 5.484 7.984 -6.461 964 HD1 TYR 51 HD1 TYR 51 4.418 5.841 -3.561 965 HD2 TYR 51 HD2 TYR 51 3.218 8.412 -6.787 966 HE1 TYR 51 HE1 TYR 51 2.038 5.473 -2.970 967 HE2 TYR 51 HE2 TYR 51 0.839 8.044 -6.194 968 HH TYR 51 HH TYR 51 -0.069 5.955 -3.447 969 H ALA 52 H ALA 52 6.124 3.616 -6.662 970 HA ALA 52 HA ALA 52 5.623 4.226 -9.476 971 1HB ALA 52 3HB ALA 52 7.012 2.264 -8.497 972 2HB ALA 52 2HB ALA 52 5.454 1.484 -8.226 973 3HB ALA 52 1HB ALA 52 5.951 1.916 -9.862 974 H GLU 53 H GLU 53 3.649 4.153 -10.499 975 HA GLU 53 HA GLU 53 1.335 3.015 -9.001 976 1HB GLU 53 2HB GLU 53 1.622 5.805 -10.104 977 2HB GLU 53 1HB GLU 53 0.035 5.061 -9.905 978 1HG GLU 53 2HG GLU 53 0.977 4.501 -7.484 979 2HG GLU 53 1HG GLU 53 2.015 5.888 -7.818 980 H GLU 54 H GLU 54 -0.617 2.991 -10.478 981 HA GLU 54 HA GLU 54 0.216 2.274 -13.261 982 1HB GLU 54 2HB GLU 54 -0.385 0.217 -12.176 983 2HB GLU 54 1HB GLU 54 -1.793 0.956 -11.413 984 1HG GLU 54 2HG GLU 54 -3.079 0.716 -13.271 985 2HG GLU 54 1HG GLU 54 -1.764 1.178 -14.351 986 H VAL 55 H VAL 55 -1.171 3.087 -14.903 987 HA VAL 55 HA VAL 55 -3.671 4.394 -14.108 988 HB VAL 55 HB VAL 55 -1.963 6.286 -15.583 989 1HG1 VAL 55 1HG1 VAL 55 -4.139 6.218 -13.628 990 2HG1 VAL 55 3HG1 VAL 55 -2.925 7.438 -13.243 991 3HG1 VAL 55 2HG1 VAL 55 -3.734 7.464 -14.811 992 1HG2 VAL 55 1HG2 VAL 55 -0.341 5.188 -13.952 993 2HG2 VAL 55 3HG2 VAL 55 -0.557 6.925 -13.736 994 3HG2 VAL 55 2HG2 VAL 55 -1.364 5.794 -12.650 995 H LYS 56 H LYS 56 -4.950 3.524 -15.638 996 HA LYS 56 HA LYS 56 -4.205 3.954 -18.480 997 1HB LYS 56 2HB LYS 56 -3.520 1.720 -18.306 998 2HB LYS 56 1HB LYS 56 -4.774 1.323 -17.138 999 1HG LYS 56 2HG LYS 56 -6.129 0.627 -18.802 1000 2HG LYS 56 1HG LYS 56 -6.019 2.201 -19.586 1001 1HD LYS 56 2HD LYS 56 -4.158 -0.157 -19.938 1002 2HD LYS 56 1HD LYS 56 -5.189 0.592 -21.159 1003 1HE LYS 56 2HE LYS 56 -3.647 2.705 -20.178 1004 2HE LYS 56 1HE LYS 56 -2.516 1.356 -20.284 1005 1HZ LYS 56 2HZ LYS 56 -4.147 1.348 -22.565 1006 2HZ LYS 56 1HZ LYS 56 -3.529 2.918 -22.362 1007 3HZ LYS 56 3HZ LYS 56 -2.468 1.599 -22.468 1008 HA PRO 57 HA PRO 57 -8.397 5.298 -18.485 1009 1HB PRO 57 2HB PRO 57 -8.710 5.460 -21.213 1010 2HB PRO 57 1HB PRO 57 -7.824 6.653 -20.249 1011 1HG PRO 57 2HG PRO 57 -6.753 4.510 -22.036 1012 2HG PRO 57 1HG PRO 57 -6.047 6.081 -21.619 1013 1HD PRO 57 2HD PRO 57 -5.274 3.610 -20.522 1014 2HD PRO 57 1HD PRO 57 -4.898 5.204 -19.834 1015 H PHE 58 H PHE 58 -10.529 4.705 -19.581 1016 HA PHE 58 HA PHE 58 -10.659 1.784 -20.209 1017 1HB PHE 58 2HB PHE 58 -11.451 2.575 -17.844 1018 2HB PHE 58 1HB PHE 58 -12.842 3.223 -18.711 1019 HD1 PHE 58 HD2 PHE 58 -10.923 0.122 -17.999 1020 HD2 PHE 58 HD1 PHE 58 -14.560 1.798 -19.550 1021 HE1 PHE 58 HE2 PHE 58 -11.933 -2.140 -18.070 1022 HE2 PHE 58 HE1 PHE 58 -15.570 -0.465 -19.623 1023 HZ PHE 58 HZ PHE 58 -14.258 -2.434 -18.883 1024 HA PRO 59 HA PRO 59 -11.982 0.426 -20.853 1025 1HB PRO 59 2HB PRO 59 -12.364 -0.804 -23.274 1026 2HB PRO 59 1HB PRO 59 -13.681 -0.438 -22.148 1027 1HG PRO 59 2HG PRO 59 -12.975 0.914 -24.705 1028 2HG PRO 59 1HG PRO 59 -14.540 0.815 -23.883 1029 1HD PRO 59 2HD PRO 59 -12.779 3.042 -23.874 1030 2HD PRO 59 1HD PRO 59 -14.205 2.822 -22.836 1031 H SER 60 H SER 60 -11.073 0.903 -24.274 1032 HA SER 60 HA SER 60 -8.372 -0.095 -23.704 1033 1HB SER 60 2HB SER 60 -9.488 -0.746 -25.792 1034 2HB SER 60 1HB SER 60 -9.628 0.944 -26.264 1035 HG SER 60 HG SER 60 -7.136 -0.215 -25.615 1036 H ASN 61 H ASN 61 -9.162 2.689 -25.766 1037 HA ASN 61 HA ASN 61 -7.578 4.458 -23.996 1038 1HB ASN 61 2HB ASN 61 -6.358 5.250 -26.137 1039 2HB ASN 61 1HB ASN 61 -5.830 3.734 -25.408 1040 1HD2 ASN 61 2HD2 ASN 61 -6.543 1.888 -28.306 1041 2HD2 ASN 61 1HD2 ASN 61 -5.693 2.009 -26.843 1042 H LYS 62 H LYS 62 -9.005 6.100 -23.685 1043 HA LYS 62 HA LYS 62 -11.222 6.755 -25.266 1044 1HB LYS 62 2HB LYS 62 -10.903 9.109 -24.250 1045 2HB LYS 62 1HB LYS 62 -11.116 7.763 -23.130 1046 1HG LYS 62 2HG LYS 62 -8.897 7.766 -22.481 1047 2HG LYS 62 1HG LYS 62 -8.342 8.453 -24.008 1048 1HD LYS 62 2HD LYS 62 -10.013 10.421 -22.952 1049 2HD LYS 62 1HD LYS 62 -9.131 9.814 -21.550 1050 1HE LYS 62 2HE LYS 62 -7.749 10.556 -24.136 1051 2HE LYS 62 1HE LYS 62 -8.007 11.717 -22.833 1052 1HZ LYS 62 3HZ LYS 62 -6.846 10.180 -21.332 1053 2HZ LYS 62 2HZ LYS 62 -6.525 9.150 -22.646 1054 3HZ LYS 62 1HZ LYS 62 -5.854 10.710 -22.603 1055 H LYS 63 H LYS 63 -11.317 7.455 -27.343 1056 HA LYS 63 HA LYS 63 -8.923 8.501 -28.660 1057 1HB LYS 63 2HB LYS 63 -11.740 7.895 -29.543 1058 2HB LYS 63 1HB LYS 63 -10.640 8.791 -30.592 1059 1HG LYS 63 2HG LYS 63 -9.270 6.979 -30.940 1060 2HG LYS 63 1HG LYS 63 -9.584 6.300 -29.342 1061 1HD LYS 63 2HD LYS 63 -12.067 6.154 -30.504 1062 2HD LYS 63 1HD LYS 63 -11.008 5.856 -31.883 1063 1HE LYS 63 2HE LYS 63 -9.873 4.063 -30.667 1064 2HE LYS 63 1HE LYS 63 -10.843 4.393 -29.231 1065 1HZ LYS 63 1HZ LYS 63 -12.585 4.062 -31.384 1066 2HZ LYS 63 3HZ LYS 63 -11.481 2.776 -31.434 1067 3HZ LYS 63 2HZ LYS 63 -12.394 3.056 -30.028 1068 H THR 64 H THR 64 -12.142 9.785 -27.792 1069 HA THR 64 HA THR 64 -10.947 12.519 -27.977 1070 HB THR 64 HB THR 64 -13.235 13.297 -28.722 1071 HG1 THR 64 HG1 THR 64 -14.728 11.848 -28.619 1072 1HG2 THR 64 1HG2 THR 64 -11.452 11.511 -30.335 1073 2HG2 THR 64 3HG2 THR 64 -12.948 12.101 -31.060 1074 3HG2 THR 64 2HG2 THR 64 -11.732 13.245 -30.490 1075 H THR 65 H THR 65 -11.025 13.480 -26.010 1076 HA THR 65 HA THR 65 -12.705 12.364 -23.886 1077 HB THR 65 HB THR 65 -10.478 13.132 -23.294 1078 HG1 THR 65 HG1 THR 65 -11.940 13.492 -21.682 1079 1HG2 THR 65 2HG2 THR 65 -11.031 15.161 -25.163 1080 2HG2 THR 65 1HG2 THR 65 -10.861 15.982 -23.612 1081 3HG2 THR 65 3HG2 THR 65 -9.555 14.963 -24.218 1082 H ALA 66 HN ALA 66 -14.724 13.075 -23.406 1083 HA ALA 66 HA ALA 66 -16.701 14.341 -23.604 1084 1HB ALA 66 1HB ALA 66 -14.546 16.009 -22.599 1085 2HB ALA 66 3HB ALA 66 -15.723 16.972 -23.492 1086 3HB ALA 66 2HB ALA 66 -16.245 15.985 -22.128 Start of MODEL 2 Raw file had 1086 H/Q atoms Start of MODEL 2 1 1H MET 1 2H MET 1 -23.894 16.727 -5.764 2 2H MET 1 1H MET 1 -23.501 17.733 -4.453 3 3H MET 1 3H MET 1 -25.032 17.841 -5.173 4 HA MET 1 HA MET 1 -24.332 19.197 -6.779 5 1HB MET 1 2HB MET 1 -22.337 19.293 -4.593 6 2HB MET 1 1HB MET 1 -21.824 20.025 -6.114 7 1HG MET 1 2HG MET 1 -22.958 21.678 -4.663 8 2HG MET 1 1HG MET 1 -23.861 21.406 -6.154 9 1HE MET 1 1HE MET 1 -26.015 20.802 -6.394 10 2HE MET 1 3HE MET 1 -27.214 20.735 -5.095 11 3HE MET 1 2HE MET 1 -26.250 22.191 -5.335 12 H GLU 2 H GLU 2 -21.665 16.965 -5.973 13 HA GLU 2 HA GLU 2 -20.897 16.978 -8.858 14 1HB GLU 2 2HB GLU 2 -19.414 16.385 -6.311 15 2HB GLU 2 1HB GLU 2 -18.849 15.694 -7.832 16 1HG GLU 2 2HG GLU 2 -18.075 17.687 -8.577 17 2HG GLU 2 1HG GLU 2 -19.522 18.542 -8.041 18 H GLN 3 H GLN 3 -21.775 15.307 -9.979 19 HA GLN 3 HA GLN 3 -22.799 12.936 -8.629 20 1HB GLN 3 2HB GLN 3 -22.517 13.686 -11.550 21 2HB GLN 3 1HB GLN 3 -23.231 12.167 -11.006 22 1HG GLN 3 2HG GLN 3 -24.632 13.857 -9.457 23 2HG GLN 3 1HG GLN 3 -24.298 14.941 -10.808 24 1HE2 GLN 3 2HE2 GLN 3 -27.139 13.521 -12.369 25 2HE2 GLN 3 1HE2 GLN 3 -26.447 14.918 -11.699 26 NH1 ARG 4 NH1 ARG 4 -14.650 12.220 -8.918 27 NH2 ARG 4 NH2 ARG 4 -14.258 14.390 -8.420 28 H ARG 4 H ARG 4 -20.864 12.058 -7.658 29 HA ARG 4 HA ARG 4 -19.042 10.767 -9.650 30 1HB ARG 4 2HB ARG 4 -18.293 11.617 -6.839 31 2HB ARG 4 1HB ARG 4 -17.210 11.015 -8.095 32 1HG ARG 4 2HG ARG 4 -18.878 13.489 -8.536 33 2HG ARG 4 1HG ARG 4 -17.311 13.576 -7.732 34 1HD ARG 4 2HD ARG 4 -16.923 11.950 -10.007 35 2HD ARG 4 1HD ARG 4 -17.885 13.324 -10.552 36 HE ARG 4 HE ARG 4 -15.974 14.662 -10.268 37 1HH1 ARG 4 2HH1 ARG 4 -15.194 11.523 -9.385 38 2HH1 ARG 4 1HH1 ARG 4 -13.861 11.951 -8.365 39 1HH2 ARG 4 1HH2 ARG 4 -14.502 15.355 -8.506 40 2HH2 ARG 4 2HH2 ARG 4 -13.469 14.120 -7.868 41 H ILE 5 H ILE 5 -18.824 8.564 -9.435 42 HA ILE 5 HA ILE 5 -19.520 7.249 -6.892 43 HB ILE 5 HB ILE 5 -21.041 6.777 -9.468 44 1HG1 ILE 5 2HG1 ILE 5 -22.885 7.011 -7.498 45 2HG1 ILE 5 1HG1 ILE 5 -21.616 8.044 -6.842 46 1HG2 ILE 5 1HG2 ILE 5 -20.896 5.169 -6.908 47 2HG2 ILE 5 3HG2 ILE 5 -22.204 4.997 -8.077 48 3HG2 ILE 5 2HG2 ILE 5 -20.548 4.614 -8.545 49 1HD1 ILE 5 2HD1 ILE 5 -21.571 8.973 -9.337 50 2HD1 ILE 5 1HD1 ILE 5 -23.231 8.378 -9.337 51 3HD1 ILE 5 3HD1 ILE 5 -22.729 9.588 -8.158 52 H THR 6 H THR 6 -18.792 5.003 -6.872 53 HA THR 6 HA THR 6 -16.417 4.595 -8.502 54 HB THR 6 HB THR 6 -17.565 2.299 -7.011 55 HG1 THR 6 HG1 THR 6 -17.034 4.810 -5.893 56 1HG2 THR 6 3HG2 THR 6 -15.028 3.283 -7.897 57 2HG2 THR 6 2HG2 THR 6 -14.982 3.122 -6.141 58 3HG2 THR 6 1HG2 THR 6 -15.397 1.731 -7.143 59 H LEU 7 H LEU 7 -16.133 2.916 -10.081 60 HA LEU 7 HA LEU 7 -18.242 2.547 -11.921 61 1HB LEU 7 2HB LEU 7 -15.935 2.180 -12.586 62 2HB LEU 7 1HB LEU 7 -15.772 0.858 -11.430 63 HG LEU 7 HG LEU 7 -17.604 -0.351 -12.656 64 1HD1 LEU 7 3HD1 LEU 7 -18.618 1.652 -13.703 65 2HD1 LEU 7 2HD1 LEU 7 -17.168 1.866 -14.683 66 3HD1 LEU 7 1HD1 LEU 7 -18.187 0.444 -14.912 67 1HD2 LEU 7 2HD2 LEU 7 -14.880 -0.017 -13.333 68 2HD2 LEU 7 1HD2 LEU 7 -15.921 -1.379 -13.747 69 3HD2 LEU 7 3HD2 LEU 7 -15.764 -0.020 -14.860 70 H LYS 8 H LYS 8 -17.644 0.957 -8.922 71 HA LYS 8 HA LYS 8 -19.210 -1.425 -9.635 72 1HB LYS 8 2HB LYS 8 -18.590 -2.284 -7.541 73 2HB LYS 8 1HB LYS 8 -17.207 -1.281 -7.974 74 1HG LYS 8 2HG LYS 8 -18.091 0.562 -6.611 75 2HG LYS 8 1HG LYS 8 -19.511 -0.399 -6.204 76 1HD LYS 8 2HD LYS 8 -18.373 -1.684 -4.701 77 2HD LYS 8 1HD LYS 8 -16.904 -1.702 -5.678 78 1HE LYS 8 2HE LYS 8 -17.238 0.976 -4.878 79 2HE LYS 8 1HE LYS 8 -17.578 0.011 -3.442 80 1HZ LYS 8 1HZ LYS 8 -15.326 -0.966 -4.906 81 2HZ LYS 8 3HZ LYS 8 -15.107 0.641 -4.410 82 3HZ LYS 8 2HZ LYS 8 -15.453 -0.561 -3.260 83 H ASP 9 H ASP 9 -19.659 1.569 -7.817 84 HA ASP 9 HA ASP 9 -22.259 0.794 -6.777 85 1HB ASP 9 2HB ASP 9 -20.501 3.138 -6.654 86 2HB ASP 9 1HB ASP 9 -22.212 3.560 -6.737 87 OH TYR 10 OH TYR 10 -24.669 4.331 -16.714 88 H TYR 10 H TYR 10 -21.115 2.513 -9.635 89 HA TYR 10 HA TYR 10 -23.818 3.304 -10.432 90 1HB TYR 10 2HB TYR 10 -22.073 4.755 -11.172 91 2HB TYR 10 1HB TYR 10 -21.120 3.410 -11.798 92 HD1 TYR 10 HD1 TYR 10 -24.658 4.634 -12.166 93 HD2 TYR 10 HD2 TYR 10 -21.082 3.267 -14.114 94 HE1 TYR 10 HE1 TYR 10 -25.769 4.869 -14.371 95 HE2 TYR 10 HE2 TYR 10 -22.192 3.503 -16.319 96 HH TYR 10 HH TYR 10 -24.294 3.676 -17.305 97 H ALA 11 H ALA 11 -21.607 0.651 -11.073 98 HA ALA 11 HA ALA 11 -23.217 -0.390 -13.288 99 1HB ALA 11 1HB ALA 11 -20.720 -0.719 -13.074 100 2HB ALA 11 3HB ALA 11 -21.042 -1.805 -11.721 101 3HB ALA 11 2HB ALA 11 -21.628 -2.209 -13.334 102 H MET 12 H MET 12 -23.091 -0.767 -9.820 103 HA MET 12 HA MET 12 -24.714 -3.232 -9.907 104 1HB MET 12 2HB MET 12 -23.765 -1.579 -7.550 105 2HB MET 12 1HB MET 12 -24.533 -3.165 -7.453 106 1HG MET 12 2HG MET 12 -22.213 -3.036 -9.272 107 2HG MET 12 1HG MET 12 -21.827 -2.775 -7.570 108 1HE MET 12 2HE MET 12 -21.229 -4.828 -9.838 109 2HE MET 12 1HE MET 12 -20.406 -5.490 -8.428 110 3HE MET 12 3HE MET 12 -21.512 -6.502 -9.367 111 NH1 ARG 13 NH1 ARG 13 -29.712 4.938 -6.232 112 NH2 ARG 13 NH2 ARG 13 -31.324 3.383 -5.934 113 H ARG 13 H ARG 13 -25.073 0.174 -8.982 114 HA ARG 13 HA ARG 13 -27.868 -0.235 -8.196 115 1HB ARG 13 2HB ARG 13 -25.926 2.005 -8.158 116 2HB ARG 13 1HB ARG 13 -27.619 2.459 -8.343 117 1HG ARG 13 2HG ARG 13 -27.744 0.536 -6.373 118 2HG ARG 13 1HG ARG 13 -26.228 1.358 -6.002 119 1HD ARG 13 2HD ARG 13 -28.130 2.450 -4.864 120 2HD ARG 13 1HD ARG 13 -27.385 3.532 -6.041 121 HE ARG 13 HE ARG 13 -29.492 2.146 -7.348 122 1HH1 ARG 13 2HH1 ARG 13 -28.774 5.176 -6.483 123 2HH1 ARG 13 1HH1 ARG 13 -30.353 5.655 -5.959 124 1HH2 ARG 13 1HH2 ARG 13 -31.621 2.429 -5.954 125 2HH2 ARG 13 2HH2 ARG 13 -31.965 4.100 -5.660 126 H PHE 14 H PHE 14 -26.151 0.599 -11.105 127 HA PHE 14 HA PHE 14 -28.757 1.377 -12.347 128 1HB PHE 14 2HB PHE 14 -25.978 1.969 -13.397 129 2HB PHE 14 1HB PHE 14 -27.504 2.606 -14.010 130 HD1 PHE 14 HD1 PHE 14 -25.615 2.364 -10.770 131 HD2 PHE 14 HD2 PHE 14 -28.175 4.712 -13.297 132 HE1 PHE 14 HE1 PHE 14 -25.503 4.235 -9.145 133 HE2 PHE 14 HE2 PHE 14 -28.064 6.583 -11.673 134 HZ PHE 14 HZ PHE 14 -26.728 6.345 -9.597 135 H GLY 15 H GLY 15 -25.874 -0.640 -12.714 136 1HA GLY 15 2HA GLY 15 -26.637 -2.957 -13.631 137 2HA GLY 15 1HA GLY 15 -27.203 -2.010 -15.009 138 H GLN 16 H GLN 16 -24.772 -3.976 -14.198 139 HA GLN 16 HA GLN 16 -22.438 -2.464 -14.996 140 1HB GLN 16 2HB GLN 16 -22.868 -5.466 -15.085 141 2HB GLN 16 1HB GLN 16 -21.315 -4.629 -15.096 142 1HG GLN 16 2HG GLN 16 -21.476 -4.009 -12.860 143 2HG GLN 16 1HG GLN 16 -23.237 -4.099 -12.855 144 1HE2 GLN 16 2HE2 GLN 16 -21.051 -7.407 -11.964 145 2HE2 GLN 16 1HE2 GLN 16 -20.299 -5.940 -12.368 146 H THR 17 H THR 17 -25.011 -4.017 -16.716 147 HA THR 17 HA THR 17 -23.556 -4.384 -19.207 148 HB THR 17 HB THR 17 -26.537 -4.040 -19.097 149 HG1 THR 17 HG1 THR 17 -26.690 -5.585 -17.711 150 1HG2 THR 17 2HG2 THR 17 -24.533 -5.170 -20.864 151 2HG2 THR 17 1HG2 THR 17 -25.766 -6.364 -20.458 152 3HG2 THR 17 3HG2 THR 17 -26.233 -4.825 -21.183 153 H LYS 18 H LYS 18 -25.790 -1.914 -17.932 154 HA LYS 18 HA LYS 18 -25.653 -0.286 -20.331 155 1HB LYS 18 2HB LYS 18 -26.740 1.444 -18.902 156 2HB LYS 18 1HB LYS 18 -27.574 -0.108 -18.831 157 1HG LYS 18 2HG LYS 18 -27.008 -0.463 -16.648 158 2HG LYS 18 1HG LYS 18 -25.416 0.275 -16.835 159 1HD LYS 18 2HD LYS 18 -26.635 1.758 -15.425 160 2HD LYS 18 1HD LYS 18 -26.644 2.516 -17.018 161 1HE LYS 18 2HE LYS 18 -28.883 1.757 -17.456 162 2HE LYS 18 1HE LYS 18 -28.873 0.722 -16.029 163 1HZ LYS 18 3HZ LYS 18 -28.289 3.505 -15.514 164 2HZ LYS 18 2HZ LYS 18 -29.861 3.211 -16.087 165 3HZ LYS 18 1HZ LYS 18 -29.308 2.437 -14.679 166 H THR 19 H THR 19 -23.783 -0.549 -17.384 167 HA THR 19 HA THR 19 -22.444 1.998 -17.599 168 HB THR 19 HB THR 19 -21.459 -0.560 -16.295 169 HG1 THR 19 HG1 THR 19 -22.320 0.925 -14.454 170 1HG2 THR 19 1HG2 THR 19 -20.750 2.354 -15.856 171 2HG2 THR 19 3HG2 THR 19 -20.147 1.004 -14.896 172 3HG2 THR 19 2HG2 THR 19 -19.711 1.138 -16.599 173 H ALA 20 H ALA 20 -21.704 -1.279 -18.768 174 HA ALA 20 HA ALA 20 -19.143 -0.517 -19.900 175 1HB ALA 20 2HB ALA 20 -20.463 -2.919 -19.407 176 2HB ALA 20 1HB ALA 20 -20.438 -2.810 -21.168 177 3HB ALA 20 3HB ALA 20 -18.929 -2.740 -20.258 178 H LYS 21 H LYS 21 -22.464 -0.674 -21.067 179 HA LYS 21 HA LYS 21 -21.772 -0.236 -23.854 180 1HB LYS 21 2HB LYS 21 -24.163 -0.698 -22.308 181 2HB LYS 21 1HB LYS 21 -24.406 0.687 -23.374 182 1HG LYS 21 2HG LYS 21 -23.031 -1.651 -24.580 183 2HG LYS 21 1HG LYS 21 -24.736 -1.875 -24.189 184 1HD LYS 21 2HD LYS 21 -23.799 0.582 -25.662 185 2HD LYS 21 1HD LYS 21 -24.146 -0.917 -26.526 186 1HE LYS 21 2HE LYS 21 -26.419 -0.901 -25.880 187 2HE LYS 21 1HE LYS 21 -26.132 0.262 -24.586 188 1HZ LYS 21 1HZ LYS 21 -25.651 0.942 -27.423 189 2HZ LYS 21 3HZ LYS 21 -27.184 1.119 -26.715 190 3HZ LYS 21 2HZ LYS 21 -25.860 1.992 -26.103 191 H ASP 22 H ASP 22 -22.194 1.781 -21.064 192 HA ASP 22 HA ASP 22 -22.581 4.236 -22.625 193 1HB ASP 22 2HB ASP 22 -22.921 3.459 -19.910 194 2HB ASP 22 1HB ASP 22 -21.721 4.753 -19.934 195 H LEU 23 H LEU 23 -19.976 2.611 -20.874 196 HA LEU 23 HA LEU 23 -18.065 4.744 -21.593 197 1HB LEU 23 2HB LEU 23 -17.793 2.162 -20.034 198 2HB LEU 23 1HB LEU 23 -16.436 3.237 -20.370 199 HG LEU 23 HG LEU 23 -18.712 4.714 -19.323 200 1HD1 LEU 23 1HD1 LEU 23 -18.286 2.133 -18.174 201 2HD1 LEU 23 3HD1 LEU 23 -17.708 3.339 -17.025 202 3HD1 LEU 23 2HD1 LEU 23 -19.369 3.407 -17.614 203 1HD2 LEU 23 1HD2 LEU 23 -15.788 4.338 -18.780 204 2HD2 LEU 23 3HD2 LEU 23 -16.672 5.816 -19.160 205 3HD2 LEU 23 2HD2 LEU 23 -16.778 5.117 -17.544 206 H GLY 24 H GLY 24 -19.362 2.072 -23.112 207 1HA GLY 24 2HA GLY 24 -18.723 1.282 -25.277 208 2HA GLY 24 1HA GLY 24 -17.140 2.032 -25.055 209 H VAL 25 H VAL 25 -16.741 0.852 -22.394 210 HA VAL 25 HA VAL 25 -15.343 -1.495 -23.064 211 HB VAL 25 HB VAL 25 -15.732 -2.019 -20.521 212 1HG1 VAL 25 1HG1 VAL 25 -13.914 -0.477 -21.931 213 2HG1 VAL 25 3HG1 VAL 25 -14.463 0.621 -20.665 214 3HG1 VAL 25 2HG1 VAL 25 -13.761 -0.939 -20.237 215 1HG2 VAL 25 1HG2 VAL 25 -17.610 0.039 -20.918 216 2HG2 VAL 25 3HG2 VAL 25 -17.092 -0.631 -19.370 217 3HG2 VAL 25 2HG2 VAL 25 -16.284 0.789 -20.031 218 OH TYR 26 OH TYR 26 -11.810 -5.028 -24.636 219 H TYR 26 H TYR 26 -15.900 -3.758 -22.341 220 HA TYR 26 HA TYR 26 -18.751 -4.305 -23.002 221 1HB TYR 26 2HB TYR 26 -17.392 -6.758 -22.781 222 2HB TYR 26 1HB TYR 26 -17.864 -5.945 -24.268 223 HD1 TYR 26 HD1 TYR 26 -16.241 -4.087 -25.143 224 HD2 TYR 26 HD2 TYR 26 -15.126 -7.127 -22.318 225 HE1 TYR 26 HE1 TYR 26 -13.850 -3.730 -25.700 226 HE2 TYR 26 HE2 TYR 26 -12.736 -6.770 -22.877 227 HH TYR 26 HH TYR 26 -11.486 -5.819 -25.075 228 H GLN 27 H GLN 27 -19.644 -6.306 -21.774 229 HA GLN 27 HA GLN 27 -19.715 -5.661 -18.981 230 1HB GLN 27 2HB GLN 27 -20.594 -8.170 -20.440 231 2HB GLN 27 1HB GLN 27 -21.003 -7.782 -18.768 232 1HG GLN 27 2HG GLN 27 -22.851 -6.841 -19.739 233 2HG GLN 27 1HG GLN 27 -21.758 -5.477 -19.969 234 1HE2 GLN 27 2HE2 GLN 27 -21.721 -5.777 -23.485 235 2HE2 GLN 27 1HE2 GLN 27 -21.199 -4.911 -22.122 236 H SER 28 H SER 28 -17.578 -7.617 -20.866 237 HA SER 28 HA SER 28 -16.680 -9.309 -18.671 238 1HB SER 28 2HB SER 28 -16.446 -9.627 -21.289 239 2HB SER 28 1HB SER 28 -14.959 -8.713 -21.054 240 HG SER 28 HG SER 28 -14.416 -10.266 -19.419 241 H ALA 29 H ALA 29 -15.998 -6.099 -19.771 242 HA ALA 29 HA ALA 29 -13.425 -5.941 -18.342 243 1HB ALA 29 3HB ALA 29 -14.889 -4.316 -20.276 244 2HB ALA 29 2HB ALA 29 -14.284 -3.342 -18.936 245 3HB ALA 29 1HB ALA 29 -13.166 -4.312 -19.897 246 H ILE 30 H ILE 30 -16.794 -5.321 -17.859 247 HA ILE 30 HA ILE 30 -16.400 -3.681 -15.459 248 HB ILE 30 HB ILE 30 -18.960 -5.061 -16.279 249 1HG1 ILE 30 2HG1 ILE 30 -17.886 -3.875 -18.246 250 2HG1 ILE 30 1HG1 ILE 30 -19.456 -3.228 -17.771 251 1HG2 ILE 30 1HG2 ILE 30 -18.174 -2.628 -14.690 252 2HG2 ILE 30 3HG2 ILE 30 -19.792 -2.771 -15.375 253 3HG2 ILE 30 2HG2 ILE 30 -19.217 -3.968 -14.214 254 1HD1 ILE 30 1HD1 ILE 30 -17.463 -1.899 -16.219 255 2HD1 ILE 30 3HD1 ILE 30 -16.951 -1.856 -17.906 256 3HD1 ILE 30 2HD1 ILE 30 -18.525 -1.208 -17.446 257 H ASN 31 H ASN 31 -16.895 -7.036 -16.312 258 HA ASN 31 HA ASN 31 -17.506 -7.902 -13.591 259 1HB ASN 31 2HB ASN 31 -16.986 -9.240 -16.224 260 2HB ASN 31 1HB ASN 31 -16.820 -10.194 -14.749 261 1HD2 ASN 31 2HD2 ASN 31 -20.457 -9.816 -16.149 262 2HD2 ASN 31 1HD2 ASN 31 -19.015 -9.824 -17.047 263 H LYS 32 H LYS 32 -14.645 -7.740 -15.677 264 HA LYS 32 HA LYS 32 -12.935 -9.058 -13.709 265 1HB LYS 32 2HB LYS 32 -11.138 -8.628 -15.239 266 2HB LYS 32 1HB LYS 32 -12.539 -9.048 -16.226 267 1HG LYS 32 2HG LYS 32 -13.017 -6.674 -16.597 268 2HG LYS 32 1HG LYS 32 -11.650 -6.228 -15.574 269 1HD LYS 32 2HD LYS 32 -10.890 -6.099 -17.856 270 2HD LYS 32 1HD LYS 32 -10.167 -7.545 -17.151 271 1HE LYS 32 2HE LYS 32 -12.462 -8.614 -18.085 272 2HE LYS 32 1HE LYS 32 -12.258 -7.306 -19.250 273 1HZ LYS 32 2HZ LYS 32 -9.975 -8.093 -19.621 274 2HZ LYS 32 1HZ LYS 32 -10.267 -9.405 -18.583 275 3HZ LYS 32 3HZ LYS 32 -11.137 -9.263 -20.032 276 H ALA 33 H ALA 33 -13.897 -5.790 -14.509 277 HA ALA 33 HA ALA 33 -11.807 -4.505 -12.944 278 1HB ALA 33 2HB ALA 33 -14.271 -3.644 -14.386 279 2HB ALA 33 1HB ALA 33 -13.704 -2.600 -13.083 280 3HB ALA 33 3HB ALA 33 -12.643 -2.968 -14.443 281 H ILE 34 H ILE 34 -15.129 -5.555 -12.390 282 HA ILE 34 HA ILE 34 -15.231 -4.424 -9.697 283 HB ILE 34 HB ILE 34 -17.017 -6.370 -11.184 284 1HG1 ILE 34 2HG1 ILE 34 -16.928 -3.929 -11.880 285 2HG1 ILE 34 1HG1 ILE 34 -18.519 -4.494 -11.364 286 1HG2 ILE 34 3HG2 ILE 34 -16.808 -5.873 -8.361 287 2HG2 ILE 34 2HG2 ILE 34 -18.336 -5.218 -8.949 288 3HG2 ILE 34 1HG2 ILE 34 -17.946 -6.918 -9.211 289 1HD1 ILE 34 2HD1 ILE 34 -16.825 -3.463 -9.179 290 2HD1 ILE 34 1HD1 ILE 34 -17.285 -2.255 -10.378 291 3HD1 ILE 34 3HD1 ILE 34 -18.529 -3.164 -9.520 292 H HIS 35 H HIS 35 -14.412 -7.489 -11.192 293 HA HIS 35 HA HIS 35 -14.398 -9.045 -8.756 294 1HB HIS 35 2HB HIS 35 -13.282 -9.395 -11.527 295 2HB HIS 35 1HB HIS 35 -12.778 -10.493 -10.241 296 HD1 HIS 35 HD1 HIS 35 -14.100 -12.460 -11.383 297 HD2 HIS 35 HD2 HIS 35 -16.486 -9.263 -10.171 298 HE1 HIS 35 HE1 HIS 35 -16.495 -13.283 -11.460 299 H ALA 36 H ALA 36 -11.943 -7.211 -10.551 300 HA ALA 36 HA ALA 36 -9.810 -7.942 -8.693 301 1HB ALA 36 2HB ALA 36 -10.085 -6.223 -11.111 302 2HB ALA 36 1HB ALA 36 -8.798 -5.803 -9.981 303 3HB ALA 36 3HB ALA 36 -8.842 -7.408 -10.711 304 H GLY 37 H GLY 37 -12.343 -5.638 -8.760 305 1HA GLY 37 2HA GLY 37 -12.859 -3.820 -7.373 306 2HA GLY 37 1HA GLY 37 -11.913 -4.673 -6.155 307 NH1 ARG 38 NH1 ARG 38 -3.647 -4.665 -10.411 308 NH2 ARG 38 NH2 ARG 38 -2.879 -2.543 -10.291 309 H ARG 38 H ARG 38 -10.265 -3.822 -9.073 310 HA ARG 38 HA ARG 38 -8.206 -2.385 -7.819 311 1HB ARG 38 2HB ARG 38 -9.287 -2.405 -10.623 312 2HB ARG 38 1HB ARG 38 -8.034 -1.245 -10.185 313 1HG ARG 38 2HG ARG 38 -7.242 -3.744 -9.098 314 2HG ARG 38 1HG ARG 38 -7.755 -4.052 -10.757 315 1HD ARG 38 2HD ARG 38 -5.886 -3.094 -11.563 316 2HD ARG 38 1HD ARG 38 -6.213 -1.616 -10.657 317 HE ARG 38 HE ARG 38 -5.131 -2.939 -8.682 318 1HH1 ARG 38 2HH1 ARG 38 -4.383 -5.328 -10.277 319 2HH1 ARG 38 1HH1 ARG 38 -2.762 -4.965 -10.767 320 1HH2 ARG 38 1HH2 ARG 38 -3.026 -1.579 -10.067 321 2HH2 ARG 38 2HH2 ARG 38 -1.995 -2.844 -10.649 322 H LYS 39 H LYS 39 -7.807 0.092 -8.496 323 HA LYS 39 HA LYS 39 -10.032 1.576 -7.249 324 1HB LYS 39 2HB LYS 39 -7.221 2.354 -8.060 325 2HB LYS 39 1HB LYS 39 -8.386 3.504 -7.402 326 1HG LYS 39 2HG LYS 39 -8.652 1.667 -5.516 327 2HG LYS 39 1HG LYS 39 -7.041 1.191 -6.054 328 1HD LYS 39 2HD LYS 39 -6.239 3.498 -5.714 329 2HD LYS 39 1HD LYS 39 -7.848 3.980 -5.179 330 1HE LYS 39 2HE LYS 39 -6.654 1.637 -3.797 331 2HE LYS 39 1HE LYS 39 -5.916 3.204 -3.461 332 1HZ LYS 39 2HZ LYS 39 -8.830 2.664 -3.290 333 2HZ LYS 39 1HZ LYS 39 -7.775 2.630 -1.958 334 3HZ LYS 39 3HZ LYS 39 -8.020 4.078 -2.807 335 H ILE 40 H ILE 40 -11.435 1.181 -9.133 336 HA ILE 40 HA ILE 40 -10.829 3.035 -11.396 337 HB ILE 40 HB ILE 40 -13.037 0.992 -11.480 338 1HG1 ILE 40 2HG1 ILE 40 -10.083 0.464 -11.945 339 2HG1 ILE 40 1HG1 ILE 40 -11.099 -0.285 -10.712 340 1HG2 ILE 40 2HG2 ILE 40 -11.160 2.238 -13.511 341 2HG2 ILE 40 1HG2 ILE 40 -12.344 0.988 -13.896 342 3HG2 ILE 40 3HG2 ILE 40 -12.882 2.568 -13.321 343 1HD1 ILE 40 2HD1 ILE 40 -12.141 -0.517 -13.465 344 2HD1 ILE 40 1HD1 ILE 40 -10.626 -1.373 -13.179 345 3HD1 ILE 40 3HD1 ILE 40 -12.042 -1.734 -12.192 346 H PHE 41 H PHE 41 -11.615 4.948 -10.582 347 HA PHE 41 HA PHE 41 -14.210 5.030 -9.207 348 1HB PHE 41 2HB PHE 41 -12.545 7.391 -10.085 349 2HB PHE 41 1HB PHE 41 -13.683 7.300 -8.741 350 HD1 PHE 41 HD2 PHE 41 -12.572 4.318 -8.109 351 HD2 PHE 41 HD1 PHE 41 -10.811 8.225 -8.457 352 HE1 PHE 41 HE2 PHE 41 -10.744 3.635 -6.585 353 HE2 PHE 41 HE1 PHE 41 -8.986 7.536 -6.932 354 HZ PHE 41 HZ PHE 41 -8.952 5.244 -5.997 355 H LEU 42 H LEU 42 -15.884 6.638 -9.978 356 HA LEU 42 HA LEU 42 -15.945 6.758 -12.969 357 1HB LEU 42 2HB LEU 42 -17.587 5.185 -11.342 358 2HB LEU 42 1HB LEU 42 -18.580 6.586 -11.737 359 HG LEU 42 HG LEU 42 -18.050 6.250 -14.144 360 1HD1 LEU 42 3HD1 LEU 42 -15.867 4.998 -13.540 361 2HD1 LEU 42 2HD1 LEU 42 -16.895 3.581 -13.340 362 3HD1 LEU 42 1HD1 LEU 42 -16.802 4.387 -14.904 363 1HD2 LEU 42 1HD2 LEU 42 -19.278 3.979 -12.568 364 2HD2 LEU 42 3HD2 LEU 42 -20.107 5.287 -13.413 365 3HD2 LEU 42 2HD2 LEU 42 -19.302 4.013 -14.330 366 H THR 43 H THR 43 -16.445 8.758 -13.772 367 HA THR 43 HA THR 43 -17.560 10.765 -11.852 368 HB THR 43 HB THR 43 -15.514 11.118 -14.058 369 HG1 THR 43 HG1 THR 43 -15.521 11.309 -11.248 370 1HG2 THR 43 1HG2 THR 43 -17.310 13.051 -12.679 371 2HG2 THR 43 3HG2 THR 43 -15.633 13.544 -12.916 372 3HG2 THR 43 2HG2 THR 43 -16.630 13.112 -14.306 373 H ILE 44 H ILE 44 -19.667 11.062 -12.479 374 HA ILE 44 HA ILE 44 -20.263 10.985 -15.395 375 HB ILE 44 HB ILE 44 -22.422 11.151 -13.330 376 1HG1 ILE 44 2HG1 ILE 44 -22.017 8.429 -13.672 377 2HG1 ILE 44 1HG1 ILE 44 -20.378 9.050 -13.475 378 1HG2 ILE 44 2HG2 ILE 44 -22.900 11.114 -15.771 379 2HG2 ILE 44 1HG2 ILE 44 -22.085 9.554 -15.888 380 3HG2 ILE 44 3HG2 ILE 44 -23.568 9.706 -14.944 381 1HD1 ILE 44 1HD1 ILE 44 -22.682 9.684 -11.610 382 2HD1 ILE 44 3HD1 ILE 44 -21.458 8.453 -11.300 383 3HD1 ILE 44 2HD1 ILE 44 -20.996 10.152 -11.395 384 H ASN 45 H ASN 45 -20.916 12.821 -16.451 385 HA ASN 45 HA ASN 45 -20.919 15.332 -14.895 386 1HB ASN 45 2HB ASN 45 -20.514 14.577 -17.718 387 2HB ASN 45 1HB ASN 45 -21.415 16.075 -17.482 388 1HD2 ASN 45 2HD2 ASN 45 -18.080 17.426 -17.355 389 2HD2 ASN 45 1HD2 ASN 45 -19.369 17.110 -18.414 390 H ALA 46 H ALA 46 -22.686 16.759 -14.863 391 HA ALA 46 HA ALA 46 -25.231 15.800 -14.427 392 1HB ALA 46 3HB ALA 46 -24.146 18.282 -14.431 393 2HB ALA 46 2HB ALA 46 -25.163 18.391 -15.867 394 3HB ALA 46 1HB ALA 46 -25.880 17.988 -14.307 395 H ASP 47 H ASP 47 -23.718 16.215 -17.549 396 HA ASP 47 HA ASP 47 -26.280 16.011 -18.980 397 1HB ASP 47 2HB ASP 47 -24.941 16.147 -21.001 398 2HB ASP 47 1HB ASP 47 -24.356 17.361 -19.863 399 H GLY 48 H GLY 48 -25.503 13.798 -17.182 400 1HA GLY 48 2HA GLY 48 -25.455 11.452 -17.206 401 2HA GLY 48 1HA GLY 48 -26.266 11.591 -18.767 402 H SER 49 H SER 49 -23.090 12.964 -18.153 403 HA SER 49 HA SER 49 -22.011 11.241 -20.310 404 1HB SER 49 2HB SER 49 -20.967 13.194 -20.766 405 2HB SER 49 1HB SER 49 -21.388 13.864 -19.194 406 HG SER 49 HG SER 49 -19.547 13.116 -18.368 407 H VAL 50 H VAL 50 -20.071 9.977 -19.989 408 HA VAL 50 HA VAL 50 -19.743 9.115 -17.144 409 HB VAL 50 HB VAL 50 -18.806 7.470 -19.475 410 1HG1 VAL 50 1HG1 VAL 50 -19.647 7.055 -16.621 411 2HG1 VAL 50 3HG1 VAL 50 -19.760 5.713 -17.761 412 3HG1 VAL 50 2HG1 VAL 50 -18.202 6.478 -17.451 413 1HG2 VAL 50 1HG2 VAL 50 -21.553 8.275 -18.961 414 2HG2 VAL 50 3HG2 VAL 50 -20.905 7.320 -20.295 415 3HG2 VAL 50 2HG2 VAL 50 -21.359 6.531 -18.786 416 OH TYR 51 OH TYR 51 -10.159 12.555 -16.050 417 H TYR 51 H TYR 51 -17.677 9.055 -16.265 418 HA TYR 51 HA TYR 51 -15.341 9.554 -18.002 419 1HB TYR 51 2HB TYR 51 -16.075 11.824 -17.495 420 2HB TYR 51 1HB TYR 51 -16.179 11.441 -15.779 421 HD1 TYR 51 HD1 TYR 51 -13.577 10.591 -18.337 422 HD2 TYR 51 HD2 TYR 51 -14.505 12.648 -14.682 423 HE1 TYR 51 HE1 TYR 51 -11.182 11.168 -18.054 424 HE2 TYR 51 HE2 TYR 51 -12.110 13.226 -14.400 425 HH TYR 51 HH TYR 51 -10.002 13.397 -16.483 426 H ALA 52 H ALA 52 -15.163 7.275 -17.102 427 HA ALA 52 HA ALA 52 -14.573 6.995 -14.254 428 1HB ALA 52 2HB ALA 52 -15.517 5.226 -15.959 429 2HB ALA 52 1HB ALA 52 -13.813 4.948 -16.315 430 3HB ALA 52 3HB ALA 52 -14.421 4.705 -14.678 431 H GLU 53 H GLU 53 -12.495 6.537 -13.362 432 HA GLU 53 HA GLU 53 -10.156 6.955 -15.152 433 1HB GLU 53 2HB GLU 53 -10.690 8.477 -12.584 434 2HB GLU 53 1HB GLU 53 -9.171 8.517 -13.480 435 1HG GLU 53 2HG GLU 53 -10.033 9.821 -15.151 436 2HG GLU 53 1HG GLU 53 -11.625 9.066 -15.057 437 H GLU 54 H GLU 54 -8.123 6.346 -14.068 438 HA GLU 54 HA GLU 54 -8.566 4.231 -11.997 439 1HB GLU 54 2HB GLU 54 -7.901 3.328 -14.232 440 2HB GLU 54 1HB GLU 54 -6.434 4.305 -14.159 441 1HG GLU 54 2HG GLU 54 -5.413 2.788 -12.846 442 2HG GLU 54 1HG GLU 54 -6.765 2.786 -11.713 443 H VAL 55 H VAL 55 -7.391 4.527 -10.132 444 HA VAL 55 HA VAL 55 -4.924 6.141 -10.217 445 HB VAL 55 HB VAL 55 -6.694 7.063 -8.060 446 1HG1 VAL 55 2HG1 VAL 55 -4.960 8.294 -10.210 447 2HG1 VAL 55 1HG1 VAL 55 -5.923 9.279 -9.108 448 3HG1 VAL 55 3HG1 VAL 55 -4.658 8.227 -8.473 449 1HG2 VAL 55 1HG2 VAL 55 -8.400 6.750 -9.836 450 2HG2 VAL 55 3HG2 VAL 55 -8.123 8.459 -9.503 451 3HG2 VAL 55 2HG2 VAL 55 -7.417 7.715 -10.938 452 H LYS 56 H LYS 56 -3.598 4.711 -9.216 453 HA LYS 56 HA LYS 56 -4.178 3.942 -6.446 454 1HB LYS 56 2HB LYS 56 -5.337 2.163 -7.598 455 2HB LYS 56 1HB LYS 56 -3.968 1.908 -8.679 456 1HG LYS 56 2HG LYS 56 -3.437 0.265 -7.177 457 2HG LYS 56 1HG LYS 56 -2.744 1.606 -6.266 458 1HD LYS 56 2HD LYS 56 -5.219 1.844 -5.357 459 2HD LYS 56 1HD LYS 56 -5.321 0.145 -5.823 460 1HE LYS 56 2HE LYS 56 -2.877 0.913 -4.334 461 2HE LYS 56 1HE LYS 56 -4.381 0.979 -3.414 462 1HZ LYS 56 1HZ LYS 56 -4.799 -1.318 -4.445 463 2HZ LYS 56 3HZ LYS 56 -3.132 -1.330 -4.753 464 3HZ LYS 56 2HZ LYS 56 -3.698 -1.197 -3.157 465 HA PRO 57 HA PRO 57 0.215 4.413 -6.523 466 1HB PRO 57 2HB PRO 57 0.678 3.608 -3.936 467 2HB PRO 57 1HB PRO 57 0.034 5.201 -4.371 468 1HG PRO 57 2HG PRO 57 -1.391 2.853 -3.204 469 2HG PRO 57 1HG PRO 57 -1.773 4.578 -3.071 470 1HD PRO 57 2HD PRO 57 -3.066 2.727 -4.774 471 2HD PRO 57 1HD PRO 57 -3.191 4.497 -4.872 472 H PHE 58 H PHE 58 2.198 3.027 -5.733 473 HA PHE 58 HA PHE 58 1.739 0.110 -5.828 474 1HB PHE 58 2HB PHE 58 1.892 0.929 -8.223 475 2HB PHE 58 1HB PHE 58 3.530 1.467 -7.862 476 HD1 PHE 58 HD2 PHE 58 5.156 -0.301 -6.863 477 HD2 PHE 58 HD1 PHE 58 1.506 -1.283 -8.905 478 HE1 PHE 58 HE2 PHE 58 6.002 -2.597 -7.270 479 HE2 PHE 58 HE1 PHE 58 2.352 -3.578 -9.312 480 HZ PHE 58 HZ PHE 58 4.599 -4.235 -8.495 481 HA PRO 59 HA PRO 59 2.829 -1.590 -5.828 482 1HB PRO 59 2HB PRO 59 3.596 -3.287 -3.814 483 2HB PRO 59 1HB PRO 59 4.563 -2.996 -5.271 484 1HG PRO 59 2HG PRO 59 5.015 -2.018 -2.496 485 2HG PRO 59 1HG PRO 59 6.185 -2.266 -3.803 486 1HD PRO 59 2HD PRO 59 5.096 0.222 -2.972 487 2HD PRO 59 1HD PRO 59 6.051 -0.074 -4.440 488 H SER 60 H SER 60 1.719 -3.345 -3.925 489 HA SER 60 HA SER 60 -0.392 -1.628 -2.807 490 1HB SER 60 2HB SER 60 -0.061 -4.490 -3.455 491 2HB SER 60 1HB SER 60 -1.026 -4.168 -2.017 492 HG SER 60 HG SER 60 -2.485 -3.963 -3.582 493 H ASN 61 H ASN 61 0.586 -0.590 -1.024 494 HA ASN 61 HA ASN 61 1.754 -2.330 1.087 495 1HB ASN 61 2HB ASN 61 2.259 0.346 0.170 496 2HB ASN 61 1HB ASN 61 1.776 0.408 1.866 497 1HD2 ASN 61 2HD2 ASN 61 5.390 -0.197 2.032 498 2HD2 ASN 61 1HD2 ASN 61 4.324 1.083 1.704 499 H LYS 62 H LYS 62 0.989 -1.983 3.343 500 HA LYS 62 HA LYS 62 -0.819 -2.066 4.852 501 1HB LYS 62 2HB LYS 62 -0.444 0.390 4.663 502 2HB LYS 62 1HB LYS 62 -1.601 0.441 3.332 503 1HG LYS 62 2HG LYS 62 -3.417 0.087 4.709 504 2HG LYS 62 1HG LYS 62 -2.484 -0.856 5.871 505 1HD LYS 62 2HD LYS 62 -1.769 2.023 5.557 506 2HD LYS 62 1HD LYS 62 -3.269 1.646 6.405 507 1HE LYS 62 2HE LYS 62 -1.562 -0.165 7.533 508 2HE LYS 62 1HE LYS 62 -0.474 1.192 7.238 509 1HZ LYS 62 2HZ LYS 62 -2.102 2.636 8.351 510 2HZ LYS 62 1HZ LYS 62 -3.044 1.273 8.724 511 3HZ LYS 62 3HZ LYS 62 -1.489 1.434 9.383 512 H LYS 63 H LYS 63 -1.180 -3.673 2.542 513 HA LYS 63 HA LYS 63 -4.031 -3.227 1.803 514 1HB LYS 63 2HB LYS 63 -2.425 -3.584 -0.047 515 2HB LYS 63 1HB LYS 63 -1.988 -5.148 0.645 516 1HG LYS 63 2HG LYS 63 -3.690 -5.304 -1.200 517 2HG LYS 63 1HG LYS 63 -4.240 -5.984 0.332 518 1HD LYS 63 2HD LYS 63 -5.669 -4.179 0.771 519 2HD LYS 63 1HD LYS 63 -4.804 -3.103 -0.329 520 1HE LYS 63 2HE LYS 63 -6.044 -5.544 -1.508 521 2HE LYS 63 1HE LYS 63 -7.130 -4.249 -1.009 522 1HZ LYS 63 3HZ LYS 63 -5.238 -2.866 -2.269 523 2HZ LYS 63 2HZ LYS 63 -5.185 -4.314 -3.158 524 3HZ LYS 63 1HZ LYS 63 -6.639 -3.443 -3.030 525 H THR 64 H THR 64 -5.390 -4.203 3.235 526 HA THR 64 HA THR 64 -4.690 -6.975 4.119 527 HB THR 64 HB THR 64 -6.604 -5.555 5.820 528 HG1 THR 64 HG1 THR 64 -3.932 -4.618 5.674 529 1HG2 THR 64 2HG2 THR 64 -4.520 -7.534 5.970 530 2HG2 THR 64 1HG2 THR 64 -4.237 -6.290 7.189 531 3HG2 THR 64 3HG2 THR 64 -5.772 -7.158 7.155 532 H THR 65 H THR 65 -6.041 -8.396 3.132 533 HA THR 65 HA THR 65 -8.927 -7.691 2.939 534 HB THR 65 HB THR 65 -7.266 -8.828 0.667 535 HG1 THR 65 HG1 THR 65 -6.941 -6.706 0.606 536 1HG2 THR 65 2HG2 THR 65 -10.169 -8.686 1.216 537 2HG2 THR 65 1HG2 THR 65 -9.681 -8.142 -0.389 538 3HG2 THR 65 3HG2 THR 65 -9.275 -9.770 0.152 539 H ALA 66 HN ALA 66 -10.043 -9.307 3.910 540 HA ALA 66 HA ALA 66 -9.157 -12.111 3.493 541 1HB ALA 66 3HB ALA 66 -9.638 -10.834 6.202 542 2HB ALA 66 2HB ALA 66 -9.478 -12.570 5.937 543 3HB ALA 66 1HB ALA 66 -8.117 -11.498 5.607 544 1H MET 1 3H MET 1 16.135 15.542 -8.527 545 2H MET 1 2H MET 1 17.447 16.619 -8.587 546 3H MET 1 1H MET 1 16.747 16.210 -7.093 547 HA MET 1 HA MET 1 15.422 17.961 -7.255 548 1HB MET 1 2HB MET 1 17.173 18.243 -9.523 549 2HB MET 1 1HB MET 1 15.558 18.803 -9.962 550 1HG MET 1 2HG MET 1 16.703 20.691 -9.019 551 2HG MET 1 1HG MET 1 15.554 20.137 -7.802 552 1HE MET 1 2HE MET 1 18.671 20.894 -9.025 553 2HE MET 1 1HE MET 1 19.642 21.132 -7.574 554 3HE MET 1 3HE MET 1 19.800 19.642 -8.513 555 H GLU 2 H GLU 2 15.186 16.605 -10.561 556 HA GLU 2 HA GLU 2 12.328 15.962 -9.983 557 1HB GLU 2 2HB GLU 2 13.227 18.039 -11.673 558 2HB GLU 2 1HB GLU 2 12.703 16.739 -12.744 559 1HG GLU 2 2HG GLU 2 10.597 16.605 -11.271 560 2HG GLU 2 1HG GLU 2 11.102 18.165 -10.617 561 H GLN 3 H GLN 3 13.761 13.867 -9.725 562 HA GLN 3 HA GLN 3 14.448 12.628 -12.313 563 1HB GLN 3 2HB GLN 3 15.074 12.153 -9.490 564 2HB GLN 3 1HB GLN 3 14.702 10.669 -10.369 565 1HG GLN 3 2HG GLN 3 16.399 11.108 -12.005 566 2HG GLN 3 1HG GLN 3 16.637 12.750 -11.409 567 1HE2 GLN 3 2HE2 GLN 3 17.988 9.702 -8.986 568 2HE2 GLN 3 1HE2 GLN 3 16.554 9.478 -9.865 569 NH1 ARG 4 NH1 ARG 4 11.570 13.468 -8.721 570 NH2 ARG 4 NH2 ARG 4 10.111 15.050 -8.032 571 H ARG 4 H ARG 4 12.363 12.405 -13.268 572 HA ARG 4 HA ARG 4 10.531 10.505 -11.863 573 1HB ARG 4 2HB ARG 4 9.714 12.167 -14.234 574 2HB ARG 4 1HB ARG 4 8.713 11.525 -12.931 575 1HG ARG 4 2HG ARG 4 10.748 13.758 -12.682 576 2HG ARG 4 1HG ARG 4 8.994 13.941 -12.637 577 1HD ARG 4 2HD ARG 4 8.886 12.546 -10.616 578 2HD ARG 4 1HD ARG 4 10.634 12.319 -10.667 579 HE ARG 4 HE ARG 4 9.720 15.118 -10.548 580 1HH1 ARG 4 2HH1 ARG 4 11.920 12.865 -9.439 581 2HH1 ARG 4 1HH1 ARG 4 11.991 13.461 -7.814 582 1HH2 ARG 4 1HH2 ARG 4 9.343 15.661 -8.221 583 2HH2 ARG 4 2HH2 ARG 4 10.534 15.044 -7.125 584 H ILE 5 H ILE 5 10.275 8.515 -12.791 585 HA ILE 5 HA ILE 5 10.863 8.178 -15.674 586 HB ILE 5 HB ILE 5 12.283 6.709 -13.441 587 1HG1 ILE 5 2HG1 ILE 5 14.092 7.494 -15.400 588 2HG1 ILE 5 1HG1 ILE 5 12.963 8.847 -15.324 589 1HG2 ILE 5 3HG2 ILE 5 11.994 6.069 -16.381 590 2HG2 ILE 5 2HG2 ILE 5 13.338 5.458 -15.415 591 3HG2 ILE 5 1HG2 ILE 5 11.683 5.013 -15.002 592 1HD1 ILE 5 2HD1 ILE 5 13.232 8.715 -12.771 593 2HD1 ILE 5 1HD1 ILE 5 14.622 7.676 -13.087 594 3HD1 ILE 5 3HD1 ILE 5 14.609 9.337 -13.680 595 H THR 6 H THR 6 9.875 6.264 -16.548 596 HA THR 6 HA THR 6 7.526 5.384 -15.042 597 HB THR 6 HB THR 6 8.419 4.125 -17.622 598 HG1 THR 6 HG1 THR 6 7.081 6.050 -18.441 599 1HG2 THR 6 2HG2 THR 6 6.131 4.016 -16.011 600 2HG2 THR 6 1HG2 THR 6 5.672 5.032 -17.376 601 3HG2 THR 6 3HG2 THR 6 6.287 3.405 -17.657 602 H LEU 7 H LEU 7 7.108 3.177 -14.444 603 HA LEU 7 HA LEU 7 9.222 1.799 -13.191 604 1HB LEU 7 2HB LEU 7 6.790 1.423 -12.736 605 2HB LEU 7 1HB LEU 7 6.667 0.577 -14.279 606 HG LEU 7 HG LEU 7 8.348 -1.059 -13.529 607 1HD1 LEU 7 3HD1 LEU 7 8.293 0.601 -10.994 608 2HD1 LEU 7 2HD1 LEU 7 9.001 -1.012 -11.092 609 3HD1 LEU 7 1HD1 LEU 7 9.679 0.309 -12.046 610 1HD2 LEU 7 1HD2 LEU 7 5.822 -1.225 -12.977 611 2HD2 LEU 7 3HD2 LEU 7 6.921 -2.273 -12.082 612 3HD2 LEU 7 2HD2 LEU 7 6.293 -0.807 -11.331 613 H LYS 8 H LYS 8 8.349 1.912 -16.522 614 HA LYS 8 HA LYS 8 9.724 -0.611 -17.171 615 1HB LYS 8 2HB LYS 8 8.902 -0.326 -19.358 616 2HB LYS 8 1HB LYS 8 7.635 0.387 -18.362 617 1HG LYS 8 2HG LYS 8 8.987 2.607 -18.689 618 2HG LYS 8 1HG LYS 8 9.694 1.762 -20.067 619 1HD LYS 8 2HD LYS 8 7.672 1.637 -21.206 620 2HD LYS 8 1HD LYS 8 6.715 1.739 -19.728 621 1HE LYS 8 2HE LYS 8 6.683 4.005 -19.772 622 2HE LYS 8 1HE LYS 8 8.389 4.106 -20.205 623 1HZ LYS 8 1HZ LYS 8 6.980 3.025 -22.370 624 2HZ LYS 8 3HZ LYS 8 6.166 4.425 -21.867 625 3HZ LYS 8 2HZ LYS 8 7.810 4.504 -22.287 626 H ASP 9 H ASP 9 10.310 2.865 -17.386 627 HA ASP 9 HA ASP 9 12.787 2.549 -18.892 628 1HB ASP 9 2HB ASP 9 11.173 4.751 -17.843 629 2HB ASP 9 1HB ASP 9 12.903 5.029 -17.639 630 OH TYR 10 OH TYR 10 16.431 3.522 -8.850 631 H TYR 10 H TYR 10 11.866 2.406 -15.561 632 HA TYR 10 HA TYR 10 14.556 2.940 -14.531 633 1HB TYR 10 2HB TYR 10 12.264 3.307 -13.341 634 2HB TYR 10 1HB TYR 10 12.350 1.582 -12.992 635 HD1 TYR 10 HD1 TYR 10 14.933 0.887 -12.252 636 HD2 TYR 10 HD2 TYR 10 12.995 4.667 -11.615 637 HE1 TYR 10 HE1 TYR 10 16.455 1.347 -10.350 638 HE2 TYR 10 HE2 TYR 10 14.519 5.126 -9.714 639 HH TYR 10 HH TYR 10 17.160 4.053 -9.175 640 H ALA 11 H ALA 11 12.483 0.119 -15.071 641 HA ALA 11 HA ALA 11 14.469 -1.760 -14.061 642 1HB ALA 11 2HB ALA 11 12.022 -2.220 -14.000 643 2HB ALA 11 1HB ALA 11 12.012 -2.272 -15.762 644 3HB ALA 11 3HB ALA 11 12.918 -3.479 -14.850 645 H MET 12 H MET 12 13.725 -0.313 -17.156 646 HA MET 12 HA MET 12 15.360 -2.303 -18.597 647 1HB MET 12 2HB MET 12 13.555 -0.057 -19.365 648 2HB MET 12 1HB MET 12 14.834 -0.502 -20.497 649 1HG MET 12 2HG MET 12 12.862 -2.466 -19.294 650 2HG MET 12 1HG MET 12 12.696 -1.746 -20.896 651 1HE MET 12 1HE MET 12 12.636 -4.710 -20.272 652 2HE MET 12 3HE MET 12 14.113 -5.658 -20.500 653 3HE MET 12 2HE MET 12 13.864 -4.752 -19.009 654 NH1 ARG 13 NH1 ARG 13 15.685 4.462 -22.227 655 NH2 ARG 13 NH2 ARG 13 17.641 4.858 -23.288 656 H ARG 13 H ARG 13 15.522 1.150 -17.751 657 HA ARG 13 HA ARG 13 18.141 1.434 -19.030 658 1HB ARG 13 2HB ARG 13 16.571 3.297 -17.229 659 2HB ARG 13 1HB ARG 13 18.088 3.720 -18.021 660 1HG ARG 13 2HG ARG 13 16.730 2.797 -20.160 661 2HG ARG 13 1HG ARG 13 15.375 3.376 -19.189 662 1HD ARG 13 2HD ARG 13 15.841 5.456 -19.921 663 2HD ARG 13 1HD ARG 13 17.332 5.381 -18.982 664 HE ARG 13 HE ARG 13 18.525 5.039 -20.996 665 1HH1 ARG 13 2HH1 ARG 13 15.161 4.373 -21.380 666 2HH1 ARG 13 1HH1 ARG 13 15.233 4.335 -23.109 667 1HH2 ARG 13 1HH2 ARG 13 18.617 5.074 -23.253 668 2HH2 ARG 13 2HH2 ARG 13 17.188 4.730 -24.170 669 H PHE 14 H PHE 14 16.909 0.901 -15.774 670 HA PHE 14 HA PHE 14 19.718 0.958 -14.765 671 1HB PHE 14 2HB PHE 14 17.157 0.943 -13.142 672 2HB PHE 14 1HB PHE 14 18.790 1.252 -12.549 673 HD1 PHE 14 HD1 PHE 14 16.318 2.526 -15.067 674 HD2 PHE 14 HD2 PHE 14 19.570 3.456 -12.417 675 HE1 PHE 14 HE1 PHE 14 16.058 4.936 -15.591 676 HE2 PHE 14 HE2 PHE 14 19.309 5.866 -12.942 677 HZ PHE 14 HZ PHE 14 17.552 6.606 -14.529 678 H GLY 15 H GLY 15 16.990 -1.083 -15.396 679 1HA GLY 15 2HA GLY 15 17.415 -3.501 -15.634 680 2HA GLY 15 1HA GLY 15 18.531 -3.384 -14.273 681 H GLN 16 H GLN 16 16.247 -5.176 -14.477 682 HA GLN 16 HA GLN 16 14.048 -4.159 -12.906 683 1HB GLN 16 2HB GLN 16 15.002 -6.973 -13.505 684 2HB GLN 16 1HB GLN 16 13.530 -6.624 -12.599 685 1HG GLN 16 2HG GLN 16 12.643 -5.344 -14.503 686 2HG GLN 16 1HG GLN 16 14.122 -5.658 -15.413 687 1HE2 GLN 16 2HE2 GLN 16 13.212 -9.334 -15.281 688 2HE2 GLN 16 1HE2 GLN 16 14.453 -8.433 -14.554 689 H THR 17 H THR 17 17.143 -5.619 -12.138 690 HA THR 17 HA THR 17 16.533 -6.203 -9.371 691 HB THR 17 HB THR 17 18.404 -7.317 -10.461 692 HG1 THR 17 HG1 THR 17 19.155 -7.254 -8.513 693 1HG2 THR 17 2HG2 THR 17 19.472 -4.505 -10.806 694 2HG2 THR 17 1HG2 THR 17 20.436 -5.960 -11.064 695 3HG2 THR 17 3HG2 THR 17 19.033 -5.639 -12.084 696 H LYS 18 H LYS 18 17.439 -3.329 -11.111 697 HA LYS 18 HA LYS 18 18.287 -1.902 -8.688 698 1HB LYS 18 2HB LYS 18 17.847 -1.032 -11.553 699 2HB LYS 18 1HB LYS 18 18.336 0.079 -10.273 700 1HG LYS 18 2HG LYS 18 20.128 -1.943 -9.899 701 2HG LYS 18 1HG LYS 18 19.905 -2.019 -11.647 702 1HD LYS 18 2HD LYS 18 20.147 0.632 -11.417 703 2HD LYS 18 1HD LYS 18 21.056 0.172 -9.977 704 1HE LYS 18 2HE LYS 18 22.087 -1.587 -11.765 705 2HE LYS 18 1HE LYS 18 21.719 -0.237 -12.838 706 1HZ LYS 18 1HZ LYS 18 22.888 1.201 -11.165 707 2HZ LYS 18 3HZ LYS 18 23.439 -0.224 -10.428 708 3HZ LYS 18 2HZ LYS 18 23.882 0.128 -12.030 709 H THR 19 H THR 19 15.442 -2.083 -10.779 710 HA THR 19 HA THR 19 14.026 0.093 -9.516 711 HB THR 19 HB THR 19 12.937 -2.314 -11.014 712 HG1 THR 19 HG1 THR 19 12.758 -0.370 -12.568 713 1HG2 THR 19 1HG2 THR 19 11.337 -0.999 -9.529 714 2HG2 THR 19 3HG2 THR 19 11.639 0.384 -10.581 715 3HG2 THR 19 2HG2 THR 19 10.902 -1.078 -11.237 716 H ALA 20 H ALA 20 14.264 -3.380 -8.912 717 HA ALA 20 HA ALA 20 12.220 -3.311 -6.814 718 1HB ALA 20 3HB ALA 20 13.376 -5.314 -8.374 719 2HB ALA 20 2HB ALA 20 14.021 -5.610 -6.759 720 3HB ALA 20 1HB ALA 20 12.277 -5.563 -7.018 721 H LYS 21 H LYS 21 15.621 -2.768 -7.059 722 HA LYS 21 HA LYS 21 16.263 -3.377 -4.294 723 1HB LYS 21 2HB LYS 21 17.650 -2.236 -6.637 724 2HB LYS 21 1HB LYS 21 18.193 -1.605 -5.082 725 1HG LYS 21 2HG LYS 21 17.885 -4.390 -4.728 726 2HG LYS 21 1HG LYS 21 18.724 -4.182 -6.266 727 1HD LYS 21 2HD LYS 21 20.348 -2.669 -5.147 728 2HD LYS 21 1HD LYS 21 19.536 -2.967 -3.610 729 1HE LYS 21 2HE LYS 21 19.952 -5.455 -4.039 730 2HE LYS 21 1HE LYS 21 21.043 -4.945 -5.327 731 1HZ LYS 21 2HZ LYS 21 21.611 -3.430 -3.050 732 2HZ LYS 21 1HZ LYS 21 21.541 -5.059 -2.574 733 3HZ LYS 21 3HZ LYS 21 22.596 -4.584 -3.815 734 H ASP 22 H ASP 22 15.430 -0.445 -6.094 735 HA ASP 22 HA ASP 22 15.677 1.259 -3.732 736 1HB ASP 22 2HB ASP 22 15.775 1.796 -6.375 737 2HB ASP 22 1HB ASP 22 14.074 2.156 -6.074 738 H LEU 23 H LEU 23 13.122 -0.463 -5.426 739 HA LEU 23 HA LEU 23 11.044 0.725 -3.691 740 1HB LEU 23 2HB LEU 23 11.002 -1.191 -6.022 741 2HB LEU 23 1HB LEU 23 9.570 -0.917 -5.029 742 HG LEU 23 HG LEU 23 11.120 1.378 -6.225 743 1HD1 LEU 23 1HD1 LEU 23 10.318 -0.299 -7.981 744 2HD1 LEU 23 3HD1 LEU 23 8.678 0.095 -7.468 745 3HD1 LEU 23 2HD1 LEU 23 9.712 1.348 -8.156 746 1HD2 LEU 23 2HD2 LEU 23 9.449 1.720 -4.358 747 2HD2 LEU 23 1HD2 LEU 23 9.068 2.593 -5.842 748 3HD2 LEU 23 3HD2 LEU 23 8.203 1.108 -5.446 749 H GLY 24 H GLY 24 13.264 -1.770 -3.469 750 1HA GLY 24 2HA GLY 24 13.414 -3.662 -2.089 751 2HA GLY 24 1HA GLY 24 12.307 -2.791 -1.027 752 H VAL 25 H VAL 25 11.514 -3.743 -4.326 753 HA VAL 25 HA VAL 25 9.366 -5.482 -3.200 754 HB VAL 25 HB VAL 25 8.519 -5.276 -5.660 755 1HG1 VAL 25 3HG1 VAL 25 8.413 -3.371 -3.397 756 2HG1 VAL 25 2HG1 VAL 25 7.885 -2.724 -4.950 757 3HG1 VAL 25 1HG1 VAL 25 7.097 -4.151 -4.275 758 1HG2 VAL 25 1HG2 VAL 25 10.674 -4.283 -6.472 759 2HG2 VAL 25 3HG2 VAL 25 9.272 -3.275 -6.826 760 3HG2 VAL 25 2HG2 VAL 25 10.343 -2.858 -5.488 761 OH TYR 26 OH TYR 26 5.565 -8.302 -1.627 762 H TYR 26 H TYR 26 8.810 -7.103 -5.315 763 HA TYR 26 HA TYR 26 11.327 -8.692 -5.552 764 1HB TYR 26 2HB TYR 26 8.948 -10.112 -6.410 765 2HB TYR 26 1HB TYR 26 10.083 -10.526 -5.130 766 HD1 TYR 26 HD1 TYR 26 9.877 -8.877 -2.984 767 HD2 TYR 26 HD2 TYR 26 6.739 -9.766 -5.779 768 HE1 TYR 26 HE1 TYR 26 8.184 -8.248 -1.284 769 HE2 TYR 26 HE2 TYR 26 5.046 -9.136 -4.079 770 HH TYR 26 HH TYR 26 5.006 -9.067 -1.467 771 H GLN 27 H GLN 27 11.648 -9.839 -7.638 772 HA GLN 27 HA GLN 27 11.284 -8.033 -9.872 773 1HB GLN 27 2HB GLN 27 12.749 -10.481 -9.310 774 2HB GLN 27 1HB GLN 27 11.995 -10.542 -10.904 775 1HG GLN 27 2HG GLN 27 13.179 -8.695 -11.687 776 2HG GLN 27 1HG GLN 27 13.433 -8.046 -10.066 777 1HE2 GLN 27 2HE2 GLN 27 16.728 -9.336 -10.402 778 2HE2 GLN 27 1HE2 GLN 27 15.775 -7.932 -10.373 779 H SER 28 H SER 28 9.496 -10.725 -8.580 780 HA SER 28 HA SER 28 8.023 -11.338 -11.003 781 1HB SER 28 2HB SER 28 8.209 -12.393 -8.376 782 2HB SER 28 1HB SER 28 6.522 -11.949 -8.621 783 HG SER 28 HG SER 28 8.141 -13.756 -10.044 784 H ALA 29 H ALA 29 7.796 -8.896 -8.553 785 HA ALA 29 HA ALA 29 4.998 -8.234 -9.195 786 1HB ALA 29 1HB ALA 29 6.782 -7.684 -7.041 787 2HB ALA 29 3HB ALA 29 6.344 -6.135 -7.764 788 3HB ALA 29 2HB ALA 29 5.085 -7.224 -7.180 789 H ILE 30 H ILE 30 8.251 -7.143 -9.920 790 HA ILE 30 HA ILE 30 7.383 -4.749 -11.341 791 HB ILE 30 HB ILE 30 10.002 -6.243 -11.096 792 1HG1 ILE 30 2HG1 ILE 30 9.033 -3.499 -10.236 793 2HG1 ILE 30 1HG1 ILE 30 9.334 -4.880 -9.181 794 1HG2 ILE 30 2HG2 ILE 30 9.776 -5.295 -13.397 795 2HG2 ILE 30 1HG2 ILE 30 9.496 -3.708 -12.680 796 3HG2 ILE 30 3HG2 ILE 30 11.049 -4.515 -12.457 797 1HD1 ILE 30 3HD1 ILE 30 11.732 -4.806 -10.298 798 2HD1 ILE 30 2HD1 ILE 30 11.298 -3.124 -10.609 799 3HD1 ILE 30 1HD1 ILE 30 11.339 -3.734 -8.954 800 H ASN 31 H ASN 31 7.859 -8.113 -12.070 801 HA ASN 31 HA ASN 31 7.992 -7.741 -14.967 802 1HB ASN 31 2HB ASN 31 7.758 -10.102 -13.116 803 2HB ASN 31 1HB ASN 31 7.456 -10.304 -14.843 804 1HD2 ASN 31 2HD2 ASN 31 11.078 -10.906 -14.386 805 2HD2 ASN 31 1HD2 ASN 31 9.630 -11.679 -13.951 806 H LYS 32 H LYS 32 5.528 -8.786 -12.615 807 HA LYS 32 HA LYS 32 3.467 -9.169 -14.587 808 1HB LYS 32 2HB LYS 32 1.941 -9.280 -12.692 809 2HB LYS 32 1HB LYS 32 3.417 -10.159 -12.291 810 1HG LYS 32 2HG LYS 32 4.232 -8.394 -10.936 811 2HG LYS 32 1HG LYS 32 3.058 -7.250 -11.585 812 1HD LYS 32 2HD LYS 32 1.956 -9.684 -10.279 813 2HD LYS 32 1HD LYS 32 2.702 -8.488 -9.219 814 1HE LYS 32 2HE LYS 32 1.153 -6.842 -9.753 815 2HE LYS 32 1HE LYS 32 0.794 -7.547 -11.329 816 1HZ LYS 32 1HZ LYS 32 -0.053 -9.506 -9.825 817 2HZ LYS 32 3HZ LYS 32 -0.248 -8.260 -8.690 818 3HZ LYS 32 2HZ LYS 32 -1.048 -8.178 -10.187 819 H ALA 33 H ALA 33 4.611 -6.396 -12.754 820 HA ALA 33 HA ALA 33 2.344 -4.701 -13.333 821 1HB ALA 33 2HB ALA 33 5.205 -4.120 -12.535 822 2HB ALA 33 1HB ALA 33 4.015 -2.843 -12.796 823 3HB ALA 33 3HB ALA 33 3.764 -4.036 -11.521 824 H ILE 34 H ILE 34 5.527 -5.152 -14.845 825 HA ILE 34 HA ILE 34 5.073 -3.216 -16.939 826 HB ILE 34 HB ILE 34 6.981 -5.556 -16.682 827 1HG1 ILE 34 2HG1 ILE 34 7.779 -2.679 -16.875 828 2HG1 ILE 34 1HG1 ILE 34 7.065 -3.236 -15.362 829 1HG2 ILE 34 2HG2 ILE 34 6.165 -4.181 -19.054 830 2HG2 ILE 34 1HG2 ILE 34 7.813 -3.685 -18.673 831 3HG2 ILE 34 3HG2 ILE 34 7.432 -5.395 -18.881 832 1HD1 ILE 34 2HD1 ILE 34 8.894 -5.240 -16.059 833 2HD1 ILE 34 1HD1 ILE 34 9.726 -3.728 -16.423 834 3HD1 ILE 34 3HD1 ILE 34 9.102 -4.022 -14.800 835 H HIS 35 H HIS 35 4.265 -6.579 -16.472 836 HA HIS 35 HA HIS 35 3.694 -7.268 -19.193 837 1HB HIS 35 2HB HIS 35 2.894 -8.316 -16.500 838 2HB HIS 35 1HB HIS 35 2.006 -8.874 -17.917 839 HD1 HIS 35 HD1 HIS 35 3.945 -9.409 -20.014 840 HD2 HIS 35 HD2 HIS 35 4.963 -10.058 -16.024 841 HE1 HIS 35 HE1 HIS 35 5.892 -11.030 -20.027 842 H ALA 36 H ALA 36 1.670 -5.926 -16.586 843 HA ALA 36 HA ALA 36 -0.755 -5.836 -18.119 844 1HB ALA 36 2HB ALA 36 -0.603 -5.616 -15.614 845 2HB ALA 36 1HB ALA 36 0.058 -3.998 -15.848 846 3HB ALA 36 3HB ALA 36 -1.584 -4.364 -16.378 847 H GLY 37 H GLY 37 2.074 -3.814 -18.014 848 1HA GLY 37 2HA GLY 37 2.640 -1.885 -19.222 849 2HA GLY 37 1HA GLY 37 1.441 -2.420 -20.399 850 NH1 ARG 38 NH1 ARG 38 -4.895 -3.067 -14.001 851 NH2 ARG 38 NH2 ARG 38 -4.925 -4.078 -16.022 852 H ARG 38 H ARG 38 0.378 -1.901 -17.144 853 HA ARG 38 HA ARG 38 -1.533 0.095 -17.980 854 1HB ARG 38 2HB ARG 38 -1.496 -1.593 -15.912 855 2HB ARG 38 1HB ARG 38 -0.793 -0.194 -15.098 856 1HG ARG 38 2HG ARG 38 -2.717 1.058 -15.283 857 2HG ARG 38 1HG ARG 38 -3.203 0.278 -16.789 858 1HD ARG 38 2HD ARG 38 -3.297 -1.005 -14.043 859 2HD ARG 38 1HD ARG 38 -4.690 -0.380 -14.926 860 HE ARG 38 HE ARG 38 -3.366 -2.244 -16.609 861 1HH1 ARG 38 2HH1 ARG 38 -4.606 -2.310 -13.416 862 2HH1 ARG 38 1HH1 ARG 38 -5.449 -3.809 -13.622 863 1HH2 ARG 38 1HH2 ARG 38 -4.658 -4.094 -16.987 864 2HH2 ARG 38 2HH2 ARG 38 -5.480 -4.819 -15.645 865 H LYS 39 H LYS 39 -1.631 2.226 -16.570 866 HA LYS 39 HA LYS 39 0.803 3.722 -17.181 867 1HB LYS 39 2HB LYS 39 -1.836 4.461 -15.897 868 2HB LYS 39 1HB LYS 39 -0.515 5.616 -16.081 869 1HG LYS 39 2HG LYS 39 -1.594 4.019 -18.411 870 2HG LYS 39 1HG LYS 39 -2.259 5.589 -17.960 871 1HD LYS 39 2HD LYS 39 0.228 6.386 -18.027 872 2HD LYS 39 1HD LYS 39 0.492 4.931 -18.988 873 1HE LYS 39 2HE LYS 39 -0.966 5.653 -20.700 874 2HE LYS 39 1HE LYS 39 -1.724 6.861 -19.663 875 1HZ LYS 39 3HZ LYS 39 1.085 6.924 -20.623 876 2HZ LYS 39 2HZ LYS 39 -0.189 7.873 -21.228 877 3HZ LYS 39 1HZ LYS 39 0.352 8.089 -19.632 878 H ILE 40 H ILE 40 2.234 2.490 -15.768 879 HA ILE 40 HA ILE 40 1.916 3.191 -12.881 880 HB ILE 40 HB ILE 40 3.908 1.173 -13.880 881 1HG1 ILE 40 2HG1 ILE 40 0.916 0.809 -13.610 882 2HG1 ILE 40 1HG1 ILE 40 1.935 0.408 -14.992 883 1HG2 ILE 40 1HG2 ILE 40 2.208 1.435 -11.379 884 2HG2 ILE 40 3HG2 ILE 40 3.382 0.154 -11.677 885 3HG2 ILE 40 2HG2 ILE 40 3.923 1.824 -11.511 886 1HD1 ILE 40 2HD1 ILE 40 3.161 -1.159 -13.268 887 2HD1 ILE 40 1HD1 ILE 40 1.648 -1.030 -12.372 888 3HD1 ILE 40 3HD1 ILE 40 1.649 -1.688 -14.008 889 H PHE 41 H PHE 41 2.836 5.236 -12.912 890 HA PHE 41 HA PHE 41 5.427 5.681 -14.219 891 1HB PHE 41 2HB PHE 41 4.044 7.595 -12.346 892 2HB PHE 41 1HB PHE 41 5.086 7.958 -13.724 893 HD1 PHE 41 HD1 PHE 41 3.762 5.758 -15.536 894 HD2 PHE 41 HD2 PHE 41 2.180 8.973 -13.164 895 HE1 PHE 41 HE1 PHE 41 1.782 5.882 -17.018 896 HE2 PHE 41 HE2 PHE 41 0.202 9.095 -14.646 897 HZ PHE 41 HZ PHE 41 0.002 7.549 -16.575 898 H LEU 42 H LEU 42 7.223 6.694 -12.893 899 HA LEU 42 HA LEU 42 7.305 5.539 -10.134 900 1HB LEU 42 2HB LEU 42 8.832 4.736 -12.404 901 2HB LEU 42 1HB LEU 42 9.927 5.557 -11.293 902 HG LEU 42 HG LEU 42 8.951 4.110 -9.443 903 1HD1 LEU 42 3HD1 LEU 42 6.932 3.530 -10.990 904 2HD1 LEU 42 2HD1 LEU 42 8.017 2.327 -11.683 905 3HD1 LEU 42 1HD1 LEU 42 7.602 2.256 -9.971 906 1HD2 LEU 42 3HD2 LEU 42 11.137 3.674 -10.602 907 2HD2 LEU 42 2HD2 LEU 42 10.353 2.205 -10.019 908 3HD2 LEU 42 1HD2 LEU 42 10.280 2.624 -11.731 909 H THR 43 H THR 43 7.039 7.588 -9.142 910 HA THR 43 HA THR 43 8.796 9.815 -9.931 911 HB THR 43 HB THR 43 6.671 9.474 -7.805 912 HG1 THR 43 HG1 THR 43 6.755 11.469 -9.754 913 1HG2 THR 43 3HG2 THR 43 8.904 11.325 -7.851 914 2HG2 THR 43 2HG2 THR 43 7.369 12.186 -7.965 915 3HG2 THR 43 1HG2 THR 43 7.673 11.097 -6.610 916 H ILE 44 H ILE 44 10.845 9.945 -9.158 917 HA ILE 44 HA ILE 44 11.529 8.432 -6.691 918 HB ILE 44 HB ILE 44 13.566 9.846 -8.379 919 1HG1 ILE 44 2HG1 ILE 44 12.248 7.200 -9.077 920 2HG1 ILE 44 1HG1 ILE 44 12.061 8.702 -9.983 921 1HG2 ILE 44 2HG2 ILE 44 13.803 8.348 -6.170 922 2HG2 ILE 44 1HG2 ILE 44 13.795 7.049 -7.363 923 3HG2 ILE 44 3HG2 ILE 44 15.019 8.317 -7.447 924 1HD1 ILE 44 3HD1 ILE 44 14.726 7.354 -9.475 925 2HD1 ILE 44 2HD1 ILE 44 13.786 7.156 -10.953 926 3HD1 ILE 44 1HD1 ILE 44 14.424 8.741 -10.522 927 H ASN 45 H ASN 45 11.189 9.685 -4.898 928 HA ASN 45 HA ASN 45 11.205 12.513 -4.804 929 1HB ASN 45 2HB ASN 45 11.871 10.562 -2.578 930 2HB ASN 45 1HB ASN 45 11.414 12.252 -2.361 931 1HD2 ASN 45 2HD2 ASN 45 7.984 11.619 -3.469 932 2HD2 ASN 45 1HD2 ASN 45 9.220 12.758 -3.709 933 H ALA 46 H ALA 46 12.808 14.003 -4.498 934 HA ALA 46 HA ALA 46 15.389 13.702 -5.381 935 1HB ALA 46 1HB ALA 46 14.257 15.847 -4.646 936 2HB ALA 46 3HB ALA 46 14.716 15.435 -2.994 937 3HB ALA 46 2HB ALA 46 15.960 15.716 -4.212 938 H ASP 47 H ASP 47 14.173 12.549 -2.311 939 HA ASP 47 HA ASP 47 16.859 12.194 -1.186 940 1HB ASP 47 2HB ASP 47 14.076 11.883 -0.262 941 2HB ASP 47 1HB ASP 47 15.194 10.681 0.383 942 H GLY 48 H GLY 48 16.220 10.840 -3.759 943 1HA GLY 48 2HA GLY 48 16.609 8.751 -4.747 944 2HA GLY 48 1HA GLY 48 17.448 8.325 -3.254 945 H SER 49 H SER 49 14.162 9.355 -2.978 946 HA SER 49 HA SER 49 13.420 6.629 -2.094 947 1HB SER 49 2HB SER 49 12.623 9.300 -1.412 948 2HB SER 49 1HB SER 49 11.205 8.412 -1.959 949 HG SER 49 HG SER 49 12.444 6.718 -0.477 950 H VAL 50 H VAL 50 11.514 5.565 -2.946 951 HA VAL 50 HA VAL 50 10.987 6.345 -5.780 952 HB VAL 50 HB VAL 50 10.217 3.662 -4.700 953 1HG1 VAL 50 2HG1 VAL 50 11.241 4.777 -7.322 954 2HG1 VAL 50 1HG1 VAL 50 11.017 3.052 -7.034 955 3HG1 VAL 50 3HG1 VAL 50 9.632 4.142 -6.981 956 1HG2 VAL 50 3HG2 VAL 50 13.041 4.492 -5.446 957 2HG2 VAL 50 2HG2 VAL 50 12.501 3.985 -3.846 958 3HG2 VAL 50 1HG2 VAL 50 12.510 2.832 -5.179 959 OH TYR 51 OH TYR 51 1.631 8.696 -2.659 960 H TYR 51 H TYR 51 8.837 6.434 -6.518 961 HA TYR 51 HA TYR 51 6.638 5.944 -4.616 962 1HB TYR 51 2HB TYR 51 7.532 8.362 -4.327 963 2HB TYR 51 1HB TYR 51 6.835 8.663 -5.917 964 HD1 TYR 51 HD1 TYR 51 4.723 6.244 -4.935 965 HD2 TYR 51 HD2 TYR 51 5.789 10.229 -3.728 966 HE1 TYR 51 HE1 TYR 51 2.488 6.529 -3.904 967 HE2 TYR 51 HE2 TYR 51 3.553 10.511 -2.695 968 HH TYR 51 HH TYR 51 0.980 8.726 -3.364 969 H ALA 52 H ALA 52 6.349 4.314 -6.363 970 HA ALA 52 HA ALA 52 5.669 5.261 -9.040 971 1HB ALA 52 1HB ALA 52 6.694 3.006 -8.521 972 2HB ALA 52 3HB ALA 52 5.140 2.531 -7.838 973 3HB ALA 52 2HB ALA 52 5.262 2.940 -9.550 974 H GLU 53 H GLU 53 3.624 5.601 -9.858 975 HA GLU 53 HA GLU 53 1.304 5.039 -8.060 976 1HB GLU 53 2HB GLU 53 2.184 7.624 -9.260 977 2HB GLU 53 1HB GLU 53 0.452 7.294 -9.217 978 1HG GLU 53 2HG GLU 53 0.345 7.483 -6.952 979 2HG GLU 53 1HG GLU 53 1.885 6.656 -6.716 980 H GLU 54 H GLU 54 -0.778 5.249 -9.308 981 HA GLU 54 HA GLU 54 -0.400 4.249 -12.101 982 1HB GLU 54 2HB GLU 54 -1.190 2.464 -10.553 983 2HB GLU 54 1HB GLU 54 -2.588 3.462 -10.149 984 1HG GLU 54 2HG GLU 54 -3.672 2.757 -11.986 985 2HG GLU 54 1HG GLU 54 -2.341 3.298 -13.009 986 H VAL 55 H VAL 55 -1.371 5.518 -13.600 987 HA VAL 55 HA VAL 55 -3.789 7.052 -12.845 988 HB VAL 55 HB VAL 55 -1.912 8.696 -14.387 989 1HG1 VAL 55 3HG1 VAL 55 -3.563 8.993 -11.869 990 2HG1 VAL 55 2HG1 VAL 55 -2.552 10.293 -12.497 991 3HG1 VAL 55 1HG1 VAL 55 -3.891 9.673 -13.463 992 1HG2 VAL 55 3HG2 VAL 55 -1.184 7.899 -11.549 993 2HG2 VAL 55 2HG2 VAL 55 -0.231 7.569 -12.995 994 3HG2 VAL 55 1HG2 VAL 55 -0.451 9.230 -12.444 995 H LYS 56 H LYS 56 -5.090 6.068 -14.345 996 HA LYS 56 HA LYS 56 -4.461 6.585 -17.187 997 1HB LYS 56 2HB LYS 56 -3.517 4.403 -16.974 998 2HB LYS 56 1HB LYS 56 -4.859 3.841 -15.980 999 1HG LYS 56 2HG LYS 56 -5.625 2.971 -17.946 1000 2HG LYS 56 1HG LYS 56 -6.187 4.611 -18.247 1001 1HD LYS 56 2HD LYS 56 -4.691 4.928 -19.903 1002 2HD LYS 56 1HD LYS 56 -3.371 4.264 -18.938 1003 1HE LYS 56 2HE LYS 56 -5.245 2.184 -19.712 1004 2HE LYS 56 1HE LYS 56 -4.620 3.033 -21.125 1005 1HZ LYS 56 1HZ LYS 56 -2.802 2.162 -18.976 1006 2HZ LYS 56 3HZ LYS 56 -3.291 1.071 -20.180 1007 3HZ LYS 56 2HZ LYS 56 -2.453 2.486 -20.607 1008 HA PRO 57 HA PRO 57 -8.838 7.362 -16.818 1009 1HB PRO 57 2HB PRO 57 -9.160 8.272 -19.392 1010 2HB PRO 57 1HB PRO 57 -8.482 9.257 -18.085 1011 1HG PRO 57 2HG PRO 57 -7.080 7.950 -20.370 1012 2HG PRO 57 1HG PRO 57 -6.620 9.390 -19.447 1013 1HD PRO 57 2HD PRO 57 -5.522 6.801 -19.133 1014 2HD PRO 57 1HD PRO 57 -5.321 8.164 -18.011 1015 H PHE 58 H PHE 58 -10.835 6.640 -18.063 1016 HA PHE 58 HA PHE 58 -10.351 3.942 -19.233 1017 1HB PHE 58 2HB PHE 58 -12.345 5.058 -17.449 1018 2HB PHE 58 1HB PHE 58 -13.112 4.325 -18.858 1019 HD1 PHE 58 HD2 PHE 58 -10.118 3.544 -16.723 1020 HD2 PHE 58 HD1 PHE 58 -13.753 2.119 -18.516 1021 HE1 PHE 58 HE2 PHE 58 -9.697 1.288 -15.783 1022 HE2 PHE 58 HE1 PHE 58 -13.333 -0.136 -17.573 1023 HZ PHE 58 HZ PHE 58 -11.305 -0.551 -16.208 1024 HA PRO 59 HA PRO 59 -12.004 2.602 -20.024 1025 1HB PRO 59 2HB PRO 59 -11.984 1.199 -22.387 1026 2HB PRO 59 1HB PRO 59 -13.454 1.876 -21.664 1027 1HG PRO 59 2HG PRO 59 -11.919 2.832 -24.030 1028 2HG PRO 59 1HG PRO 59 -13.629 3.064 -23.635 1029 1HD PRO 59 2HD PRO 59 -11.559 4.980 -23.305 1030 2HD PRO 59 1HD PRO 59 -13.210 5.093 -22.657 1031 H SER 60 H SER 60 -10.559 0.528 -20.666 1032 HA SER 60 HA SER 60 -7.780 1.488 -20.673 1033 1HB SER 60 2HB SER 60 -8.805 -0.447 -19.245 1034 2HB SER 60 1HB SER 60 -8.592 -1.412 -20.704 1035 HG SER 60 HG SER 60 -6.794 -1.203 -19.042 1036 H ASN 61 H ASN 61 -7.624 2.258 -22.869 1037 HA ASN 61 HA ASN 61 -8.127 0.421 -25.087 1038 1HB ASN 61 2HB ASN 61 -7.568 3.240 -24.749 1039 2HB ASN 61 1HB ASN 61 -6.513 2.552 -25.984 1040 1HD2 ASN 61 2HD2 ASN 61 -9.475 3.370 -27.933 1041 2HD2 ASN 61 1HD2 ASN 61 -8.080 4.107 -27.306 1042 H LYS 62 H LYS 62 -6.744 -1.254 -25.398 1043 HA LYS 62 HA LYS 62 -4.043 -0.960 -26.123 1044 1HB LYS 62 2HB LYS 62 -4.414 -0.739 -23.294 1045 2HB LYS 62 1HB LYS 62 -3.592 -2.265 -23.622 1046 1HG LYS 62 2HG LYS 62 -2.502 -0.172 -25.292 1047 2HG LYS 62 1HG LYS 62 -2.440 0.308 -23.596 1048 1HD LYS 62 2HD LYS 62 -1.656 -2.494 -24.131 1049 2HD LYS 62 1HD LYS 62 -0.567 -1.274 -24.793 1050 1HE LYS 62 2HE LYS 62 0.326 -1.393 -22.680 1051 2HE LYS 62 1HE LYS 62 -0.943 -0.213 -22.351 1052 1HZ LYS 62 1HZ LYS 62 -1.965 -2.851 -22.200 1053 2HZ LYS 62 3HZ LYS 62 -0.624 -2.686 -21.175 1054 3HZ LYS 62 2HZ LYS 62 -1.949 -1.637 -21.011 1055 H LYS 63 H LYS 63 -3.092 -3.011 -26.636 1056 HA LYS 63 HA LYS 63 -4.916 -5.099 -27.258 1057 1HB LYS 63 2HB LYS 63 -2.221 -4.557 -27.766 1058 2HB LYS 63 1HB LYS 63 -2.195 -6.065 -26.851 1059 1HG LYS 63 2HG LYS 63 -3.002 -7.225 -28.605 1060 2HG LYS 63 1HG LYS 63 -4.333 -6.086 -28.812 1061 1HD LYS 63 2HD LYS 63 -1.725 -5.013 -29.642 1062 2HD LYS 63 1HD LYS 63 -2.252 -6.407 -30.586 1063 1HE LYS 63 2HE LYS 63 -3.107 -4.373 -31.625 1064 2HE LYS 63 1HE LYS 63 -4.454 -5.283 -30.943 1065 1HZ LYS 63 1HZ LYS 63 -4.212 -3.865 -28.922 1066 2HZ LYS 63 3HZ LYS 63 -3.116 -2.904 -29.788 1067 3HZ LYS 63 2HZ LYS 63 -4.726 -3.032 -30.311 1068 H THR 64 H THR 64 -5.711 -6.762 -26.042 1069 HA THR 64 HA THR 64 -4.515 -7.149 -23.327 1070 HB THR 64 HB THR 64 -7.178 -8.219 -23.525 1071 HG1 THR 64 HG1 THR 64 -7.375 -6.637 -25.184 1072 1HG2 THR 64 2HG2 THR 64 -5.583 -7.014 -21.653 1073 2HG2 THR 64 1HG2 THR 64 -6.732 -5.727 -22.017 1074 3HG2 THR 64 3HG2 THR 64 -7.312 -7.295 -21.456 1075 H THR 65 H THR 65 -5.590 -8.683 -26.281 1076 HA THR 65 HA THR 65 -4.863 -11.341 -25.119 1077 HB THR 65 HB THR 65 -6.389 -10.905 -27.691 1078 HG1 THR 65 HG1 THR 65 -7.236 -10.812 -25.024 1079 1HG2 THR 65 2HG2 THR 65 -5.269 -13.148 -26.675 1080 2HG2 THR 65 1HG2 THR 65 -6.841 -13.210 -25.877 1081 3HG2 THR 65 3HG2 THR 65 -6.746 -13.162 -27.637 1082 H ALA 66 HN ALA 66 -3.054 -12.317 -25.905 1083 HA ALA 66 HA ALA 66 -2.055 -11.574 -28.596 1084 1HB ALA 66 2HB ALA 66 -1.005 -10.322 -26.394 1085 2HB ALA 66 1HB ALA 66 0.064 -11.715 -26.548 1086 3HB ALA 66 3HB ALA 66 -0.123 -10.596 -27.897 Start of MODEL 3 Raw file had 1086 H/Q atoms Start of MODEL 3 1 1H MET 1 3H MET 1 -24.214 20.081 -13.886 2 2H MET 1 2H MET 1 -25.884 20.153 -14.189 3 3H MET 1 1H MET 1 -25.311 20.074 -12.592 4 HA MET 1 HA MET 1 -26.078 17.921 -13.092 5 1HB MET 1 2HB MET 1 -24.917 18.603 -15.725 6 2HB MET 1 1HB MET 1 -24.683 16.929 -15.219 7 1HG MET 1 2HG MET 1 -26.826 16.460 -15.710 8 2HG MET 1 1HG MET 1 -27.370 17.708 -14.589 9 1HE MET 1 1HE MET 1 -28.495 19.587 -15.081 10 2HE MET 1 3HE MET 1 -29.101 20.050 -16.677 11 3HE MET 1 2HE MET 1 -29.497 18.471 -16.002 12 H GLU 2 H GLU 2 -24.986 16.268 -12.051 13 HA GLU 2 HA GLU 2 -22.007 16.359 -12.037 14 1HB GLU 2 2HB GLU 2 -23.553 17.286 -9.916 15 2HB GLU 2 1HB GLU 2 -23.138 15.639 -9.439 16 1HG GLU 2 2HG GLU 2 -21.350 16.998 -8.640 17 2HG GLU 2 1HG GLU 2 -20.730 16.214 -10.093 18 H GLN 3 H GLN 3 -22.786 14.502 -13.583 19 HA GLN 3 HA GLN 3 -23.705 12.088 -12.175 20 1HB GLN 3 2HB GLN 3 -22.693 12.228 -15.021 21 2HB GLN 3 1HB GLN 3 -23.818 11.066 -14.321 22 1HG GLN 3 2HG GLN 3 -25.038 13.509 -13.822 23 2HG GLN 3 1HG GLN 3 -24.348 13.718 -15.432 24 1HE2 GLN 3 2HE2 GLN 3 -26.321 11.008 -16.840 25 2HE2 GLN 3 1HE2 GLN 3 -24.762 11.673 -16.927 26 NH1 ARG 4 NH1 ARG 4 -17.408 16.227 -11.912 27 NH2 ARG 4 NH2 ARG 4 -15.575 15.067 -12.552 28 H ARG 4 H ARG 4 -21.651 12.384 -10.756 29 HA ARG 4 HA ARG 4 -19.354 10.979 -12.063 30 1HB ARG 4 2HB ARG 4 -19.276 12.690 -9.561 31 2HB ARG 4 1HB ARG 4 -17.897 12.040 -10.447 32 1HG ARG 4 2HG ARG 4 -19.906 14.004 -11.588 33 2HG ARG 4 1HG ARG 4 -18.313 14.440 -10.971 34 1HD ARG 4 2HD ARG 4 -17.538 12.521 -12.654 35 2HD ARG 4 1HD ARG 4 -19.043 12.961 -13.463 36 HE ARG 4 HE ARG 4 -17.734 14.731 -14.313 37 1HH1 ARG 4 1HH1 ARG 4 -16.838 16.809 -11.332 38 2HH1 ARG 4 2HH1 ARG 4 -18.395 16.379 -11.956 39 1HH2 ARG 4 1HH2 ARG 4 -15.158 14.331 -13.085 40 2HH2 ARG 4 2HH2 ARG 4 -15.004 15.651 -11.975 41 H ILE 5 H ILE 5 -19.051 8.923 -11.371 42 HA ILE 5 HA ILE 5 -19.709 8.222 -8.567 43 HB ILE 5 HB ILE 5 -20.602 6.167 -10.472 44 1HG1 ILE 5 2HG1 ILE 5 -21.260 8.360 -11.617 45 2HG1 ILE 5 1HG1 ILE 5 -22.583 7.253 -11.259 46 1HG2 ILE 5 2HG2 ILE 5 -21.492 7.437 -7.914 47 2HG2 ILE 5 1HG2 ILE 5 -22.684 6.555 -8.870 48 3HG2 ILE 5 3HG2 ILE 5 -21.234 5.735 -8.291 49 1HD1 ILE 5 2HD1 ILE 5 -22.137 8.934 -8.974 50 2HD1 ILE 5 1HD1 ILE 5 -22.301 9.948 -10.407 51 3HD1 ILE 5 3HD1 ILE 5 -23.580 8.809 -9.981 52 H THR 6 H THR 6 -18.678 6.178 -7.929 53 HA THR 6 HA THR 6 -16.127 5.781 -9.309 54 HB THR 6 HB THR 6 -17.169 4.007 -7.107 55 HG1 THR 6 HG1 THR 6 -16.568 5.561 -5.635 56 1HG2 THR 6 2HG2 THR 6 -14.509 4.945 -8.140 57 2HG2 THR 6 1HG2 THR 6 -14.657 4.400 -6.469 58 3HG2 THR 6 3HG2 THR 6 -15.050 3.302 -7.791 59 H LEU 7 H LEU 7 -15.525 3.845 -10.417 60 HA LEU 7 HA LEU 7 -17.481 2.601 -12.012 61 1HB LEU 7 2HB LEU 7 -15.086 2.489 -12.542 62 2HB LEU 7 1HB LEU 7 -14.804 1.486 -11.121 63 HG LEU 7 HG LEU 7 -16.396 -0.205 -12.069 64 1HD1 LEU 7 3HD1 LEU 7 -17.550 1.520 -13.545 65 2HD1 LEU 7 2HD1 LEU 7 -16.155 1.412 -14.617 66 3HD1 LEU 7 1HD1 LEU 7 -17.162 -0.010 -14.333 67 1HD2 LEU 7 2HD2 LEU 7 -13.906 0.614 -13.571 68 2HD2 LEU 7 1HD2 LEU 7 -14.104 -0.700 -12.410 69 3HD2 LEU 7 3HD2 LEU 7 -14.813 -0.832 -14.020 70 H LYS 8 H LYS 8 -16.684 2.023 -8.703 71 HA LYS 8 HA LYS 8 -17.899 -0.664 -8.721 72 1HB LYS 8 2HB LYS 8 -17.007 -0.946 -6.593 73 2HB LYS 8 1HB LYS 8 -15.853 0.185 -7.295 74 1HG LYS 8 2HG LYS 8 -16.264 1.393 -5.408 75 2HG LYS 8 1HG LYS 8 -17.706 1.914 -6.279 76 1HD LYS 8 2HD LYS 8 -18.397 1.140 -4.089 77 2HD LYS 8 1HD LYS 8 -18.929 -0.049 -5.280 78 1HE LYS 8 2HE LYS 8 -17.244 -1.581 -4.688 79 2HE LYS 8 1HE LYS 8 -16.258 -0.339 -3.915 80 1HZ LYS 8 3HZ LYS 8 -18.154 -0.105 -2.288 81 2HZ LYS 8 2HZ LYS 8 -18.775 -1.550 -2.932 82 3HZ LYS 8 1HZ LYS 8 -17.252 -1.537 -2.180 83 H ASP 9 H ASP 9 -18.746 2.625 -7.822 84 HA ASP 9 HA ASP 9 -21.155 1.786 -6.374 85 1HB ASP 9 2HB ASP 9 -20.146 4.494 -7.290 86 2HB ASP 9 1HB ASP 9 -21.646 4.267 -6.390 87 OH TYR 10 OH TYR 10 -24.818 3.550 -16.432 88 H TYR 10 H TYR 10 -20.295 2.633 -9.636 89 HA TYR 10 HA TYR 10 -23.059 3.127 -10.478 90 1HB TYR 10 2HB TYR 10 -21.142 4.267 -11.572 91 2HB TYR 10 1HB TYR 10 -20.543 2.703 -12.120 92 HD1 TYR 10 HD2 TYR 10 -24.083 3.890 -11.944 93 HD2 TYR 10 HD1 TYR 10 -20.775 2.815 -14.466 94 HE1 TYR 10 HE2 TYR 10 -25.559 4.011 -13.936 95 HE2 TYR 10 HE1 TYR 10 -22.248 2.939 -16.454 96 HH TYR 10 HH TYR 10 -24.290 3.855 -17.173 97 H ALA 11 H ALA 11 -20.774 0.464 -10.434 98 HA ALA 11 HA ALA 11 -22.483 -1.219 -12.135 99 1HB ALA 11 1HB ALA 11 -19.777 -1.202 -11.542 100 2HB ALA 11 3HB ALA 11 -20.377 -2.574 -10.610 101 3HB ALA 11 2HB ALA 11 -20.636 -2.511 -12.354 102 H MET 12 H MET 12 -21.818 -0.772 -8.695 103 HA MET 12 HA MET 12 -23.416 -3.155 -8.014 104 1HB MET 12 2HB MET 12 -21.749 -3.073 -6.450 105 2HB MET 12 1HB MET 12 -21.546 -1.333 -6.611 106 1HG MET 12 2HG MET 12 -22.406 -1.839 -4.392 107 2HG MET 12 1HG MET 12 -23.649 -1.002 -5.321 108 1HE MET 12 2HE MET 12 -24.540 -2.255 -2.861 109 2HE MET 12 1HE MET 12 -25.732 -1.722 -4.044 110 3HE MET 12 3HE MET 12 -25.887 -3.311 -3.280 111 NH1 ARG 13 NH2 ARG 13 -25.525 3.590 -2.924 112 NH2 ARG 13 NH1 ARG 13 -24.309 5.475 -3.194 113 H ARG 13 H ARG 13 -23.718 0.354 -8.045 114 HA ARG 13 HA ARG 13 -26.296 0.213 -6.618 115 1HB ARG 13 2HB ARG 13 -25.016 2.642 -7.889 116 2HB ARG 13 1HB ARG 13 -26.261 2.613 -6.640 117 1HG ARG 13 2HG ARG 13 -24.718 1.622 -5.046 118 2HG ARG 13 1HG ARG 13 -23.477 1.464 -6.289 119 1HD ARG 13 2HD ARG 13 -22.973 3.431 -4.971 120 2HD ARG 13 1HD ARG 13 -23.525 3.963 -6.559 121 HE ARG 13 HE ARG 13 -25.638 4.631 -5.546 122 1HH1 ARG 13 1HH2 ARG 13 -25.993 2.797 -3.316 123 2HH1 ARG 13 2HH2 ARG 13 -25.523 3.732 -1.935 124 1HH2 ARG 13 2HH1 ARG 13 -23.843 6.128 -3.792 125 2HH2 ARG 13 1HH1 ARG 13 -24.308 5.616 -2.204 126 H PHE 14 H PHE 14 -25.107 0.832 -9.903 127 HA PHE 14 HA PHE 14 -27.945 1.055 -10.791 128 1HB PHE 14 2HB PHE 14 -25.386 1.685 -12.293 129 2HB PHE 14 1HB PHE 14 -27.021 1.934 -12.902 130 HD1 PHE 14 HD2 PHE 14 -24.990 2.742 -9.843 131 HD2 PHE 14 HD1 PHE 14 -27.933 4.061 -12.681 132 HE1 PHE 14 HE2 PHE 14 -25.071 4.957 -8.731 133 HE2 PHE 14 HE1 PHE 14 -28.013 6.275 -11.567 134 HZ PHE 14 HZ PHE 14 -26.582 6.723 -9.592 135 H GLY 15 H GLY 15 -25.040 -0.896 -11.114 136 1HA GLY 15 2HA GLY 15 -25.696 -3.349 -11.538 137 2HA GLY 15 1HA GLY 15 -26.542 -2.716 -12.951 138 H GLN 16 H GLN 16 -23.971 -4.449 -12.370 139 HA GLN 16 HA GLN 16 -21.854 -2.958 -13.697 140 1HB GLN 16 2HB GLN 16 -22.117 -5.944 -13.222 141 2HB GLN 16 1HB GLN 16 -20.638 -5.090 -13.663 142 1HG GLN 16 2HG GLN 16 -20.283 -4.393 -11.539 143 2HG GLN 16 1HG GLN 16 -21.973 -3.934 -11.322 144 1HE2 GLN 16 2HE2 GLN 16 -22.790 -7.493 -10.514 145 2HE2 GLN 16 1HE2 GLN 16 -23.274 -6.397 -11.715 146 H THR 17 H THR 17 -24.656 -4.500 -14.797 147 HA THR 17 HA THR 17 -23.575 -5.444 -17.344 148 HB THR 17 HB THR 17 -26.480 -4.907 -16.692 149 HG1 THR 17 HG1 THR 17 -26.539 -6.895 -15.762 150 1HG2 THR 17 3HG2 THR 17 -24.960 -6.566 -18.686 151 2HG2 THR 17 2HG2 THR 17 -26.597 -7.022 -18.218 152 3HG2 THR 17 1HG2 THR 17 -26.298 -5.452 -18.963 153 H LYS 18 H LYS 18 -25.288 -2.571 -16.168 154 HA LYS 18 HA LYS 18 -25.417 -1.427 -18.873 155 1HB LYS 18 2HB LYS 18 -26.550 0.431 -17.846 156 2HB LYS 18 1HB LYS 18 -27.183 -1.037 -17.102 157 1HG LYS 18 2HG LYS 18 -24.977 -0.416 -15.530 158 2HG LYS 18 1HG LYS 18 -25.687 1.159 -15.885 159 1HD LYS 18 2HD LYS 18 -27.025 -1.227 -14.593 160 2HD LYS 18 1HD LYS 18 -26.784 0.380 -13.910 161 1HE LYS 18 2HE LYS 18 -28.165 0.961 -16.209 162 2HE LYS 18 1HE LYS 18 -28.878 -0.584 -15.748 163 1HZ LYS 18 1HZ LYS 18 -28.602 1.786 -13.979 164 2HZ LYS 18 3HZ LYS 18 -30.036 1.275 -14.725 165 3HZ LYS 18 2HZ LYS 18 -29.300 0.299 -13.545 166 H THR 19 H THR 19 -23.299 -1.307 -16.100 167 HA THR 19 HA THR 19 -21.965 1.154 -16.900 168 HB THR 19 HB THR 19 -21.005 -1.069 -15.068 169 HG1 THR 19 HG1 THR 19 -21.998 0.011 -13.498 170 1HG2 THR 19 1HG2 THR 19 -19.946 1.614 -15.847 171 2HG2 THR 19 3HG2 THR 19 -19.764 1.113 -14.165 172 3HG2 THR 19 2HG2 THR 19 -19.072 0.133 -15.458 173 H ALA 20 H ALA 20 -21.373 -2.325 -17.323 174 HA ALA 20 HA ALA 20 -18.871 -1.925 -18.747 175 1HB ALA 20 1HB ALA 20 -19.883 -4.072 -17.534 176 2HB ALA 20 3HB ALA 20 -20.528 -4.386 -19.144 177 3HB ALA 20 2HB ALA 20 -18.788 -4.236 -18.906 178 H LYS 21 H LYS 21 -22.264 -2.103 -19.611 179 HA LYS 21 HA LYS 21 -21.779 -2.405 -22.468 180 1HB LYS 21 2HB LYS 21 -23.904 -3.162 -21.672 181 2HB LYS 21 1HB LYS 21 -24.208 -1.642 -20.832 182 1HG LYS 21 2HG LYS 21 -24.728 -0.503 -22.784 183 2HG LYS 21 1HG LYS 21 -23.744 -1.567 -23.789 184 1HD LYS 21 2HD LYS 21 -26.249 -2.531 -22.395 185 2HD LYS 21 1HD LYS 21 -26.282 -1.832 -24.015 186 1HE LYS 21 2HE LYS 21 -24.578 -3.533 -24.719 187 2HE LYS 21 1HE LYS 21 -24.732 -4.281 -23.130 188 1HZ LYS 21 1HZ LYS 21 -27.232 -3.786 -24.492 189 2HZ LYS 21 3HZ LYS 21 -26.230 -4.923 -25.253 190 3HZ LYS 21 2HZ LYS 21 -26.709 -5.160 -23.640 191 H ASP 22 H ASP 22 -22.143 0.259 -20.215 192 HA ASP 22 HA ASP 22 -22.421 2.285 -22.294 193 1HB ASP 22 2HB ASP 22 -22.054 2.290 -19.316 194 2HB ASP 22 1HB ASP 22 -21.752 3.775 -20.218 195 H LEU 23 H LEU 23 -19.789 0.854 -20.446 196 HA LEU 23 HA LEU 23 -17.843 2.774 -21.562 197 1HB LEU 23 2HB LEU 23 -17.661 0.481 -19.607 198 2HB LEU 23 1HB LEU 23 -16.214 1.241 -20.270 199 HG LEU 23 HG LEU 23 -18.241 3.143 -19.285 200 1HD1 LEU 23 1HD1 LEU 23 -17.201 0.944 -17.587 201 2HD1 LEU 23 3HD1 LEU 23 -17.086 2.563 -16.898 202 3HD1 LEU 23 2HD1 LEU 23 -18.654 1.926 -17.394 203 1HD2 LEU 23 2HD2 LEU 23 -15.264 2.738 -19.209 204 2HD2 LEU 23 1HD2 LEU 23 -16.184 4.109 -19.828 205 3HD2 LEU 23 3HD2 LEU 23 -16.009 3.879 -18.088 206 H GLY 24 H GLY 24 -19.182 -0.295 -22.322 207 1HA GLY 24 2HA GLY 24 -18.820 -1.464 -24.377 208 2HA GLY 24 1HA GLY 24 -17.353 -0.516 -24.627 209 H VAL 25 H VAL 25 -16.612 -1.162 -21.726 210 HA VAL 25 HA VAL 25 -14.930 -3.422 -22.306 211 HB VAL 25 HB VAL 25 -14.662 -3.380 -19.712 212 1HG1 VAL 25 2HG1 VAL 25 -13.379 -2.118 -21.732 213 2HG1 VAL 25 1HG1 VAL 25 -13.953 -0.719 -20.825 214 3HG1 VAL 25 3HG1 VAL 25 -12.928 -1.920 -20.039 215 1HG2 VAL 25 1HG2 VAL 25 -16.919 -1.982 -19.687 216 2HG2 VAL 25 3HG2 VAL 25 -15.637 -1.635 -18.526 217 3HG2 VAL 25 2HG2 VAL 25 -15.823 -0.628 -19.962 218 OH TYR 26 OH TYR 26 -11.381 -6.671 -23.582 219 H TYR 26 H TYR 26 -15.023 -5.258 -20.386 220 HA TYR 26 HA TYR 26 -17.782 -6.387 -20.608 221 1HB TYR 26 2HB TYR 26 -15.889 -8.379 -19.792 222 2HB TYR 26 1HB TYR 26 -16.825 -8.308 -21.281 223 HD1 TYR 26 HD2 TYR 26 -15.900 -7.195 -23.298 224 HD2 TYR 26 HD1 TYR 26 -13.576 -7.693 -19.721 225 HE1 TYR 26 HE2 TYR 26 -13.830 -6.717 -24.577 226 HE2 TYR 26 HE1 TYR 26 -11.505 -7.217 -20.999 227 HH TYR 26 HH TYR 26 -10.740 -7.355 -23.373 228 H GLN 27 H GLN 27 -18.266 -7.968 -18.736 229 HA GLN 27 HA GLN 27 -18.184 -6.501 -16.265 230 1HB GLN 27 2HB GLN 27 -19.479 -8.839 -17.287 231 2HB GLN 27 1HB GLN 27 -18.708 -9.263 -15.759 232 1HG GLN 27 2HG GLN 27 -19.755 -6.978 -14.949 233 2HG GLN 27 1HG GLN 27 -20.859 -7.245 -16.299 234 1HE2 GLN 27 2HE2 GLN 27 -21.605 -9.182 -12.931 235 2HE2 GLN 27 1HE2 GLN 27 -20.699 -7.753 -13.057 236 H SER 28 H SER 28 -15.987 -8.724 -17.739 237 HA SER 28 HA SER 28 -14.744 -9.648 -15.280 238 1HB SER 28 2HB SER 28 -14.575 -10.329 -17.986 239 2HB SER 28 1HB SER 28 -12.990 -9.662 -17.604 240 HG SER 28 HG SER 28 -12.713 -11.185 -16.067 241 H ALA 29 H ALA 29 -14.481 -6.798 -17.246 242 HA ALA 29 HA ALA 29 -11.860 -6.063 -16.108 243 1HB ALA 29 3HB ALA 29 -13.417 -5.272 -18.389 244 2HB ALA 29 2HB ALA 29 -13.090 -3.846 -17.405 245 3HB ALA 29 1HB ALA 29 -11.755 -4.835 -17.995 246 H ILE 30 H ILE 30 -15.267 -5.231 -15.807 247 HA ILE 30 HA ILE 30 -14.792 -3.080 -13.896 248 HB ILE 30 HB ILE 30 -17.262 -4.610 -14.752 249 1HG1 ILE 30 2HG1 ILE 30 -17.587 -1.908 -15.262 250 2HG1 ILE 30 1HG1 ILE 30 -15.869 -2.159 -15.577 251 1HG2 ILE 30 1HG2 ILE 30 -16.803 -2.812 -12.454 252 2HG2 ILE 30 3HG2 ILE 30 -18.197 -2.403 -13.452 253 3HG2 ILE 30 2HG2 ILE 30 -18.077 -4.003 -12.719 254 1HD1 ILE 30 3HD1 ILE 30 -17.769 -4.190 -16.656 255 2HD1 ILE 30 2HD1 ILE 30 -17.724 -2.619 -17.453 256 3HD1 ILE 30 1HD1 ILE 30 -16.259 -3.592 -17.340 257 H ASN 31 H ASN 31 -15.190 -6.529 -13.796 258 HA ASN 31 HA ASN 31 -15.823 -6.634 -10.942 259 1HB ASN 31 2HB ASN 31 -16.426 -8.385 -12.746 260 2HB ASN 31 1HB ASN 31 -14.752 -8.920 -12.596 261 1HD2 ASN 31 2HD2 ASN 31 -16.745 -10.902 -10.154 262 2HD2 ASN 31 1HD2 ASN 31 -16.703 -10.747 -11.844 263 H LYS 32 H LYS 32 -12.952 -7.194 -12.978 264 HA LYS 32 HA LYS 32 -11.230 -7.868 -10.763 265 1HB LYS 32 2HB LYS 32 -9.414 -7.658 -12.349 266 2HB LYS 32 1HB LYS 32 -10.769 -8.430 -13.174 267 1HG LYS 32 2HG LYS 32 -11.462 -6.169 -14.011 268 2HG LYS 32 1HG LYS 32 -9.975 -5.513 -13.323 269 1HD LYS 32 2HD LYS 32 -8.779 -7.367 -14.695 270 2HD LYS 32 1HD LYS 32 -10.292 -7.466 -15.598 271 1HE LYS 32 2HE LYS 32 -9.944 -4.780 -15.580 272 2HE LYS 32 1HE LYS 32 -8.259 -5.304 -15.544 273 1HZ LYS 32 3HZ LYS 32 -10.182 -6.485 -17.445 274 2HZ LYS 32 2HZ LYS 32 -9.381 -5.031 -17.804 275 3HZ LYS 32 1HZ LYS 32 -8.489 -6.451 -17.533 276 H ALA 33 H ALA 33 -12.212 -4.864 -12.296 277 HA ALA 33 HA ALA 33 -10.177 -3.217 -11.074 278 1HB ALA 33 2HB ALA 33 -12.929 -2.509 -12.137 279 2HB ALA 33 1HB ALA 33 -11.700 -1.332 -11.674 280 3HB ALA 33 3HB ALA 33 -11.411 -2.418 -13.031 281 H ILE 34 H ILE 34 -13.529 -4.025 -10.215 282 HA ILE 34 HA ILE 34 -13.540 -2.431 -7.799 283 HB ILE 34 HB ILE 34 -15.261 -4.753 -8.714 284 1HG1 ILE 34 2HG1 ILE 34 -15.968 -1.824 -8.442 285 2HG1 ILE 34 1HG1 ILE 34 -15.308 -2.499 -9.932 286 1HG2 ILE 34 3HG2 ILE 34 -15.312 -3.076 -6.215 287 2HG2 ILE 34 2HG2 ILE 34 -16.809 -3.734 -6.877 288 3HG2 ILE 34 1HG2 ILE 34 -15.511 -4.821 -6.380 289 1HD1 ILE 34 3HD1 ILE 34 -17.545 -4.034 -8.765 290 2HD1 ILE 34 2HD1 ILE 34 -17.974 -2.425 -9.346 291 3HD1 ILE 34 1HD1 ILE 34 -17.237 -3.591 -10.444 292 H HIS 35 H HIS 35 -12.553 -5.691 -8.608 293 HA HIS 35 HA HIS 35 -12.423 -6.679 -5.898 294 1HB HIS 35 2HB HIS 35 -11.370 -7.558 -8.567 295 2HB HIS 35 1HB HIS 35 -10.729 -8.312 -7.105 296 HD1 HIS 35 HD1 HIS 35 -14.275 -7.153 -7.117 297 HD2 HIS 35 HD2 HIS 35 -12.195 -10.721 -7.680 298 HE1 HIS 35 HE1 HIS 35 -15.998 -9.009 -7.029 299 H ALA 36 H ALA 36 -10.109 -5.092 -8.072 300 HA ALA 36 HA ALA 36 -7.897 -5.381 -6.194 301 1HB ALA 36 1HB ALA 36 -7.559 -5.169 -8.660 302 2HB ALA 36 3HB ALA 36 -8.165 -3.515 -8.570 303 3HB ALA 36 2HB ALA 36 -6.667 -3.951 -7.747 304 H GLY 37 H GLY 37 -10.634 -3.451 -6.223 305 1HA GLY 37 2HA GLY 37 -11.192 -1.425 -5.163 306 2HA GLY 37 1HA GLY 37 -10.041 -1.970 -3.940 307 NH1 ARG 38 NH1 ARG 38 -3.391 -2.133 -6.396 308 NH2 ARG 38 NH2 ARG 38 -4.350 -2.132 -4.350 309 H ARG 38 H ARG 38 -9.307 -1.156 -7.310 310 HA ARG 38 HA ARG 38 -7.162 0.626 -6.427 311 1HB ARG 38 2HB ARG 38 -8.027 -0.642 -8.930 312 2HB ARG 38 1HB ARG 38 -7.435 1.004 -9.153 313 1HG ARG 38 2HG ARG 38 -5.584 -0.610 -9.323 314 2HG ARG 38 1HG ARG 38 -5.376 0.425 -7.910 315 1HD ARG 38 2HD ARG 38 -6.961 -1.974 -7.344 316 2HD ARG 38 1HD ARG 38 -5.323 -2.342 -7.884 317 HE ARG 38 HE ARG 38 -5.867 -0.496 -5.591 318 1HH1 ARG 38 2HH1 ARG 38 -3.422 -1.896 -7.368 319 2HH1 ARG 38 1HH1 ARG 38 -2.593 -2.607 -6.023 320 1HH2 ARG 38 1HH2 ARG 38 -5.118 -1.897 -3.754 321 2HH2 ARG 38 2HH2 ARG 38 -3.551 -2.602 -3.976 322 H LYS 39 H LYS 39 -7.108 2.793 -7.915 323 HA LYS 39 HA LYS 39 -9.481 4.307 -7.041 324 1HB LYS 39 2HB LYS 39 -6.747 4.990 -8.048 325 2HB LYS 39 1HB LYS 39 -8.027 6.186 -8.246 326 1HG LYS 39 2HG LYS 39 -6.701 6.368 -6.085 327 2HG LYS 39 1HG LYS 39 -8.450 6.251 -5.886 328 1HD LYS 39 2HD LYS 39 -8.351 4.115 -5.025 329 2HD LYS 39 1HD LYS 39 -6.900 3.703 -5.938 330 1HE LYS 39 2HE LYS 39 -6.440 3.922 -3.504 331 2HE LYS 39 1HE LYS 39 -5.534 5.094 -4.460 332 1HZ LYS 39 3HZ LYS 39 -8.001 6.233 -3.855 333 2HZ LYS 39 2HZ LYS 39 -7.397 5.569 -2.412 334 3HZ LYS 39 1HZ LYS 39 -6.472 6.696 -3.283 335 H ILE 40 H ILE 40 -10.858 3.092 -8.582 336 HA ILE 40 HA ILE 40 -10.546 4.007 -11.405 337 HB ILE 40 HB ILE 40 -12.551 1.996 -10.353 338 1HG1 ILE 40 2HG1 ILE 40 -10.092 1.449 -9.821 339 2HG1 ILE 40 1HG1 ILE 40 -10.995 0.237 -10.728 340 1HG2 ILE 40 2HG2 ILE 40 -11.425 2.725 -13.058 341 2HG2 ILE 40 1HG2 ILE 40 -12.233 1.183 -12.775 342 3HG2 ILE 40 3HG2 ILE 40 -13.114 2.695 -12.549 343 1HD1 ILE 40 3HD1 ILE 40 -9.276 2.358 -12.042 344 2HD1 ILE 40 2HD1 ILE 40 -8.695 0.739 -11.655 345 3HD1 ILE 40 1HD1 ILE 40 -10.011 0.950 -12.808 346 H PHE 41 H PHE 41 -11.466 6.022 -11.518 347 HA PHE 41 HA PHE 41 -14.055 6.481 -10.136 348 1HB PHE 41 2HB PHE 41 -12.496 8.544 -11.689 349 2HB PHE 41 1HB PHE 41 -13.615 8.791 -10.348 350 HD1 PHE 41 HD1 PHE 41 -12.483 6.370 -8.710 351 HD2 PHE 41 HD2 PHE 41 -10.649 9.753 -10.620 352 HE1 PHE 41 HE1 PHE 41 -10.600 6.256 -7.104 353 HE2 PHE 41 HE2 PHE 41 -8.766 9.637 -9.015 354 HZ PHE 41 HZ PHE 41 -8.741 7.890 -7.257 355 H LEU 42 H LEU 42 -15.807 7.558 -11.387 356 HA LEU 42 HA LEU 42 -15.701 6.886 -14.300 357 1HB LEU 42 2HB LEU 42 -17.320 5.668 -12.311 358 2HB LEU 42 1HB LEU 42 -18.383 6.685 -13.282 359 HG LEU 42 HG LEU 42 -17.454 5.633 -15.340 360 1HD1 LEU 42 3HD1 LEU 42 -15.997 3.919 -13.311 361 2HD1 LEU 42 2HD1 LEU 42 -16.129 3.528 -15.025 362 3HD1 LEU 42 1HD1 LEU 42 -15.267 4.980 -14.514 363 1HD2 LEU 42 3HD2 LEU 42 -19.416 4.709 -13.780 364 2HD2 LEU 42 2HD2 LEU 42 -18.885 3.818 -15.207 365 3HD2 LEU 42 1HD2 LEU 42 -18.306 3.348 -13.609 366 H THR 43 H THR 43 -15.442 9.045 -14.955 367 HA THR 43 HA THR 43 -17.271 11.108 -13.912 368 HB THR 43 HB THR 43 -15.055 11.180 -15.980 369 HG1 THR 43 HG1 THR 43 -14.598 10.977 -13.667 370 1HG2 THR 43 2HG2 THR 43 -17.206 13.070 -15.382 371 2HG2 THR 43 1HG2 THR 43 -15.603 13.782 -15.203 372 3HG2 THR 43 3HG2 THR 43 -16.076 13.048 -16.735 373 H ILE 44 H ILE 44 -19.344 10.711 -14.701 374 HA ILE 44 HA ILE 44 -19.671 10.123 -17.593 375 HB ILE 44 HB ILE 44 -21.814 10.325 -15.464 376 1HG1 ILE 44 2HG1 ILE 44 -21.398 7.638 -16.079 377 2HG1 ILE 44 1HG1 ILE 44 -19.766 8.295 -15.941 378 1HG2 ILE 44 2HG2 ILE 44 -21.753 9.783 -18.332 379 2HG2 ILE 44 1HG2 ILE 44 -22.505 8.468 -17.428 380 3HG2 ILE 44 3HG2 ILE 44 -23.135 10.110 -17.284 381 1HD1 ILE 44 1HD1 ILE 44 -21.885 8.880 -13.872 382 2HD1 ILE 44 3HD1 ILE 44 -20.865 7.445 -13.772 383 3HD1 ILE 44 2HD1 ILE 44 -20.137 9.050 -13.723 384 H ASN 45 H ASN 45 -20.280 11.675 -19.021 385 HA ASN 45 HA ASN 45 -20.842 14.387 -17.995 386 1HB ASN 45 2HB ASN 45 -19.997 13.216 -20.606 387 2HB ASN 45 1HB ASN 45 -20.900 14.732 -20.647 388 1HD2 ASN 45 2HD2 ASN 45 -17.704 15.179 -18.177 389 2HD2 ASN 45 1HD2 ASN 45 -18.945 14.078 -17.816 390 H ALA 46 H ALA 46 -22.737 15.549 -18.585 391 HA ALA 46 HA ALA 46 -25.206 14.393 -18.314 392 1HB ALA 46 3HB ALA 46 -24.325 16.915 -18.972 393 2HB ALA 46 2HB ALA 46 -25.247 16.458 -20.404 394 3HB ALA 46 1HB ALA 46 -26.018 16.447 -18.819 395 H ASP 47 H ASP 47 -23.224 14.266 -21.196 396 HA ASP 47 HA ASP 47 -25.432 13.248 -22.847 397 1HB ASP 47 2HB ASP 47 -22.743 14.256 -23.290 398 2HB ASP 47 1HB ASP 47 -23.000 12.739 -24.154 399 H GLY 48 H GLY 48 -24.768 11.743 -20.431 400 1HA GLY 48 2HA GLY 48 -24.268 9.550 -19.748 401 2HA GLY 48 1HA GLY 48 -24.946 9.110 -21.316 402 H SER 49 H SER 49 -22.057 11.089 -20.889 403 HA SER 49 HA SER 49 -20.556 9.097 -22.490 404 1HB SER 49 2HB SER 49 -20.543 11.848 -22.471 405 2HB SER 49 1HB SER 49 -19.111 11.473 -21.517 406 HG SER 49 HG SER 49 -19.721 10.313 -24.037 407 H VAL 50 H VAL 50 -19.838 7.416 -21.207 408 HA VAL 50 HA VAL 50 -19.002 7.902 -18.451 409 HB VAL 50 HB VAL 50 -18.329 5.364 -19.893 410 1HG1 VAL 50 1HG1 VAL 50 -17.806 5.693 -17.487 411 2HG1 VAL 50 3HG1 VAL 50 -19.515 5.989 -17.170 412 3HG1 VAL 50 2HG1 VAL 50 -18.984 4.403 -17.729 413 1HG2 VAL 50 1HG2 VAL 50 -20.999 6.574 -19.699 414 2HG2 VAL 50 3HG2 VAL 50 -20.457 5.200 -20.664 415 3HG2 VAL 50 2HG2 VAL 50 -20.911 4.968 -18.975 416 OH TYR 51 OH TYR 51 -9.395 11.312 -18.197 417 H TYR 51 H TYR 51 -17.077 8.730 -17.968 418 HA TYR 51 HA TYR 51 -14.732 8.057 -19.699 419 1HB TYR 51 2HB TYR 51 -15.163 10.383 -20.069 420 2HB TYR 51 1HB TYR 51 -15.489 10.666 -18.360 421 HD1 TYR 51 HD1 TYR 51 -12.727 8.561 -19.648 422 HD2 TYR 51 HD2 TYR 51 -13.824 12.361 -17.974 423 HE1 TYR 51 HE1 TYR 51 -10.333 9.086 -19.271 424 HE2 TYR 51 HE2 TYR 51 -11.431 12.886 -17.597 425 HH TYR 51 HH TYR 51 -8.981 10.542 -17.801 426 H ALA 52 H ALA 52 -14.333 6.278 -18.229 427 HA ALA 52 HA ALA 52 -13.994 6.789 -15.384 428 1HB ALA 52 2HB ALA 52 -14.667 4.574 -16.523 429 2HB ALA 52 1HB ALA 52 -12.948 4.382 -16.868 430 3HB ALA 52 3HB ALA 52 -13.506 4.484 -15.198 431 H GLU 53 H GLU 53 -12.090 7.028 -14.258 432 HA GLU 53 HA GLU 53 -9.583 7.253 -15.876 433 1HB GLU 53 2HB GLU 53 -10.505 8.957 -13.542 434 2HB GLU 53 1HB GLU 53 -8.896 9.037 -14.257 435 1HG GLU 53 2HG GLU 53 -9.882 9.649 -16.430 436 2HG GLU 53 1HG GLU 53 -11.499 9.556 -15.729 437 H GLU 54 H GLU 54 -7.616 6.890 -14.557 438 HA GLU 54 HA GLU 54 -8.139 5.104 -12.211 439 1HB GLU 54 2HB GLU 54 -7.418 3.933 -14.412 440 2HB GLU 54 1HB GLU 54 -5.846 4.686 -14.142 441 1HG GLU 54 2HG GLU 54 -5.422 3.441 -12.228 442 2HG GLU 54 1HG GLU 54 -7.135 3.202 -11.880 443 H VAL 55 H VAL 55 -7.319 6.213 -10.485 444 HA VAL 55 HA VAL 55 -4.665 7.516 -10.836 445 HB VAL 55 HB VAL 55 -6.606 8.872 -9.032 446 1HG1 VAL 55 2HG1 VAL 55 -4.104 9.387 -10.124 447 2HG1 VAL 55 1HG1 VAL 55 -5.184 10.389 -11.095 448 3HG1 VAL 55 3HG1 VAL 55 -5.146 10.577 -9.342 449 1HG2 VAL 55 2HG2 VAL 55 -6.923 8.697 -12.027 450 2HG2 VAL 55 1HG2 VAL 55 -8.167 8.621 -10.780 451 3HG2 VAL 55 3HG2 VAL 55 -7.395 10.160 -11.164 452 H LYS 56 H LYS 56 -3.748 5.750 -9.744 453 HA LYS 56 HA LYS 56 -4.235 5.780 -6.805 454 1HB LYS 56 2HB LYS 56 -5.358 3.800 -7.386 455 2HB LYS 56 1HB LYS 56 -4.223 3.423 -8.679 456 1HG LYS 56 2HG LYS 56 -3.158 3.540 -5.886 457 2HG LYS 56 1HG LYS 56 -4.140 2.147 -6.333 458 1HD LYS 56 2HD LYS 56 -2.015 2.984 -8.248 459 2HD LYS 56 1HD LYS 56 -1.493 2.206 -6.754 460 1HE LYS 56 2HE LYS 56 -3.051 0.323 -7.218 461 2HE LYS 56 1HE LYS 56 -3.494 1.089 -8.744 462 1HZ LYS 56 3HZ LYS 56 -1.033 1.053 -9.255 463 2HZ LYS 56 2HZ LYS 56 -0.867 -0.013 -7.943 464 3HZ LYS 56 1HZ LYS 56 -1.829 -0.445 -9.276 465 HA PRO 57 HA PRO 57 0.177 6.211 -6.936 466 1HB PRO 57 2HB PRO 57 0.575 6.097 -4.219 467 2HB PRO 57 1HB PRO 57 -0.034 7.532 -5.062 468 1HG PRO 57 2HG PRO 57 -1.523 5.576 -3.371 469 2HG PRO 57 1HG PRO 57 -1.872 7.284 -3.679 470 1HD PRO 57 2HD PRO 57 -3.178 5.093 -4.888 471 2HD PRO 57 1HD PRO 57 -3.254 6.781 -5.439 472 H PHE 58 H PHE 58 1.316 4.424 -7.635 473 HA PHE 58 HA PHE 58 1.079 1.887 -6.109 474 1HB PHE 58 2HB PHE 58 0.818 1.644 -8.500 475 2HB PHE 58 1HB PHE 58 2.302 2.543 -8.801 476 HD1 PHE 58 HD1 PHE 58 4.495 1.577 -7.811 477 HD2 PHE 58 HD2 PHE 58 0.877 -0.693 -8.263 478 HE1 PHE 58 HE1 PHE 58 5.799 -0.528 -7.675 479 HE2 PHE 58 HE2 PHE 58 2.180 -2.797 -8.126 480 HZ PHE 58 HZ PHE 58 4.641 -2.715 -7.835 481 HA PRO 59 HA PRO 59 2.033 0.191 -5.775 482 1HB PRO 59 2HB PRO 59 3.098 -0.985 -3.530 483 2HB PRO 59 1HB PRO 59 3.777 -1.186 -5.153 484 1HG PRO 59 2HG PRO 59 4.814 0.422 -2.879 485 2HG PRO 59 1HG PRO 59 5.685 -0.254 -4.264 486 1HD PRO 59 2HD PRO 59 4.860 2.454 -3.933 487 2HD PRO 59 1HD PRO 59 5.544 1.723 -5.399 488 H SER 60 H SER 60 1.282 -0.840 -3.207 489 HA SER 60 HA SER 60 -0.753 0.990 -2.418 490 1HB SER 60 2HB SER 60 0.471 -1.335 -0.902 491 2HB SER 60 1HB SER 60 -1.008 -0.504 -0.429 492 HG SER 60 HG SER 60 -2.009 -1.258 -2.219 493 H ASN 61 H ASN 61 -0.614 1.129 0.382 494 HA ASN 61 HA ASN 61 1.281 3.339 0.694 495 1HB ASN 61 2HB ASN 61 0.243 3.656 2.867 496 2HB ASN 61 1HB ASN 61 -1.027 3.359 1.679 497 1HD2 ASN 61 2HD2 ASN 61 -2.251 0.636 3.526 498 2HD2 ASN 61 1HD2 ASN 61 -2.571 1.948 2.498 499 H LYS 62 H LYS 62 2.663 3.374 2.761 500 HA LYS 62 HA LYS 62 3.685 0.661 3.452 501 1HB LYS 62 2HB LYS 62 5.102 2.792 1.995 502 2HB LYS 62 1HB LYS 62 5.986 2.173 3.390 503 1HG LYS 62 2HG LYS 62 5.799 -0.104 2.565 504 2HG LYS 62 1HG LYS 62 4.765 0.424 1.237 505 1HD LYS 62 2HD LYS 62 7.225 1.958 1.282 506 2HD LYS 62 1HD LYS 62 7.571 0.230 1.207 507 1HE LYS 62 2HE LYS 62 6.465 -0.042 -0.823 508 2HE LYS 62 1HE LYS 62 5.441 1.371 -0.571 509 1HZ LYS 62 2HZ LYS 62 7.419 2.770 -0.829 510 2HZ LYS 62 1HZ LYS 62 8.349 1.389 -1.167 511 3HZ LYS 62 3HZ LYS 62 7.104 1.849 -2.222 512 H LYS 63 H LYS 63 3.809 0.483 5.636 513 HA LYS 63 HA LYS 63 3.949 3.009 7.228 514 1HB LYS 63 2HB LYS 63 2.670 0.330 7.732 515 2HB LYS 63 1HB LYS 63 3.110 1.372 9.087 516 1HG LYS 63 2HG LYS 63 1.801 2.958 7.080 517 2HG LYS 63 1HG LYS 63 0.800 1.551 7.443 518 1HD LYS 63 2HD LYS 63 0.255 3.399 8.968 519 2HD LYS 63 1HD LYS 63 0.979 2.061 9.861 520 1HE LYS 63 2HE LYS 63 2.716 3.340 10.513 521 2HE LYS 63 1HE LYS 63 3.018 3.870 8.858 522 1HZ LYS 63 2HZ LYS 63 0.712 4.974 10.292 523 2HZ LYS 63 1HZ LYS 63 2.260 5.554 10.681 524 3HZ LYS 63 3HZ LYS 63 1.682 5.686 9.093 525 H THR 64 H THR 64 6.272 3.107 7.159 526 HA THR 64 HA THR 64 7.668 0.862 8.546 527 HB THR 64 HB THR 64 8.893 3.116 6.938 528 HG1 THR 64 HG1 THR 64 8.768 0.491 6.020 529 1HG2 THR 64 1HG2 THR 64 9.970 1.140 8.681 530 2HG2 THR 64 3HG2 THR 64 10.420 0.698 7.035 531 3HG2 THR 64 2HG2 THR 64 10.847 2.287 7.669 532 H THR 65 H THR 65 7.676 1.317 10.718 533 HA THR 65 HA THR 65 8.981 3.822 11.575 534 HB THR 65 HB THR 65 6.701 4.567 11.601 535 HG1 THR 65 HG1 THR 65 6.329 4.618 13.935 536 1HG2 THR 65 2HG2 THR 65 6.204 1.807 12.655 537 2HG2 THR 65 1HG2 THR 65 5.085 3.102 13.087 538 3HG2 THR 65 3HG2 THR 65 5.348 2.691 11.392 539 H ALA 66 HN ALA 66 9.461 0.852 11.639 540 HA ALA 66 HA ALA 66 10.181 0.724 14.503 541 1HB ALA 66 3HB ALA 66 8.133 -0.985 13.189 542 2HB ALA 66 2HB ALA 66 9.286 -1.813 14.235 543 3HB ALA 66 1HB ALA 66 8.285 -0.512 14.881 544 1H MET 1 3H MET 1 16.093 12.038 -4.069 545 2H MET 1 2H MET 1 17.230 12.089 -5.329 546 3H MET 1 1H MET 1 17.735 12.274 -3.717 547 HA MET 1 HA MET 1 16.607 14.367 -3.528 548 1HB MET 1 2HB MET 1 18.920 14.179 -4.614 549 2HB MET 1 1HB MET 1 18.093 14.362 -6.163 550 1HG MET 1 2HG MET 1 17.118 16.499 -5.381 551 2HG MET 1 1HG MET 1 17.974 16.322 -3.850 552 1HE MET 1 1HE MET 1 17.684 17.068 -7.221 553 2HE MET 1 3HE MET 1 18.955 18.266 -7.505 554 3HE MET 1 2HE MET 1 19.187 16.594 -8.009 555 H GLU 2 H GLU 2 14.309 13.478 -4.109 556 HA GLU 2 HA GLU 2 12.335 13.737 -5.355 557 1HB GLU 2 2HB GLU 2 13.977 16.155 -6.088 558 2HB GLU 2 1HB GLU 2 12.416 15.875 -6.862 559 1HG GLU 2 2HG GLU 2 11.658 17.051 -5.044 560 2HG GLU 2 1HG GLU 2 11.703 15.452 -4.298 561 H GLN 3 H GLN 3 14.641 12.161 -6.474 562 HA GLN 3 HA GLN 3 14.924 12.529 -9.266 563 1HB GLN 3 2HB GLN 3 15.542 10.488 -7.334 564 2HB GLN 3 1HB GLN 3 14.849 9.734 -8.771 565 1HG GLN 3 2HG GLN 3 16.905 11.873 -9.153 566 2HG GLN 3 1HG GLN 3 17.448 10.279 -8.633 567 1HE2 GLN 3 2HE2 GLN 3 15.833 10.719 -12.384 568 2HE2 GLN 3 1HE2 GLN 3 15.571 11.921 -11.214 569 NH1 ARG 4 NH1 ARG 4 7.164 14.294 -12.004 570 NH2 ARG 4 NH2 ARG 4 6.898 12.049 -12.012 571 H ARG 4 H ARG 4 13.259 12.680 -10.691 572 HA ARG 4 HA ARG 4 10.856 10.969 -10.231 573 1HB ARG 4 2HB ARG 4 11.282 13.584 -11.673 574 2HB ARG 4 1HB ARG 4 9.871 12.582 -12.013 575 1HG ARG 4 2HG ARG 4 10.635 13.386 -9.201 576 2HG ARG 4 1HG ARG 4 9.572 14.371 -10.206 577 1HD ARG 4 2HD ARG 4 8.856 11.514 -10.143 578 2HD ARG 4 1HD ARG 4 8.718 12.328 -8.585 579 HE ARG 4 HE ARG 4 6.867 13.506 -9.444 580 1HH1 ARG 4 2HH1 ARG 4 7.381 15.139 -11.513 581 2HH1 ARG 4 1HH1 ARG 4 6.935 14.326 -12.977 582 1HH2 ARG 4 1HH2 ARG 4 6.911 11.174 -11.529 583 2HH2 ARG 4 2HH2 ARG 4 6.670 12.079 -12.986 584 H ILE 5 H ILE 5 10.685 9.210 -11.528 585 HA ILE 5 HA ILE 5 11.609 9.382 -14.337 586 HB ILE 5 HB ILE 5 12.394 6.964 -12.733 587 1HG1 ILE 5 2HG1 ILE 5 14.716 8.232 -12.691 588 2HG1 ILE 5 1HG1 ILE 5 13.698 9.670 -12.725 589 1HG2 ILE 5 1HG2 ILE 5 13.460 8.357 -15.208 590 2HG2 ILE 5 3HG2 ILE 5 14.188 6.924 -14.483 591 3HG2 ILE 5 2HG2 ILE 5 12.561 6.840 -15.157 592 1HD1 ILE 5 1HD1 ILE 5 12.598 7.822 -10.829 593 2HD1 ILE 5 3HD1 ILE 5 14.316 8.024 -10.486 594 3HD1 ILE 5 2HD1 ILE 5 13.255 9.431 -10.533 595 H THR 6 H THR 6 10.601 7.733 -15.680 596 HA THR 6 HA THR 6 7.985 6.911 -14.659 597 HB THR 6 HB THR 6 9.100 5.928 -17.268 598 HG1 THR 6 HG1 THR 6 8.611 8.568 -16.500 599 1HG2 THR 6 2HG2 THR 6 6.440 6.691 -16.107 600 2HG2 THR 6 1HG2 THR 6 6.667 6.737 -17.855 601 3HG2 THR 6 3HG2 THR 6 6.898 5.226 -16.976 602 H LEU 7 H LEU 7 7.347 4.771 -14.210 603 HA LEU 7 HA LEU 7 9.272 2.998 -13.137 604 1HB LEU 7 2HB LEU 7 6.968 2.763 -12.479 605 2HB LEU 7 1HB LEU 7 6.461 2.495 -14.147 606 HG LEU 7 HG LEU 7 7.822 0.416 -14.203 607 1HD1 LEU 7 2HD1 LEU 7 9.084 1.524 -12.005 608 2HD1 LEU 7 1HD1 LEU 7 8.091 0.257 -11.284 609 3HD1 LEU 7 3HD1 LEU 7 9.258 -0.146 -12.544 610 1HD2 LEU 7 2HD2 LEU 7 5.426 0.328 -13.583 611 2HD2 LEU 7 1HD2 LEU 7 6.350 -0.907 -12.728 612 3HD2 LEU 7 3HD2 LEU 7 5.859 0.563 -11.889 613 H LYS 8 H LYS 8 8.348 3.546 -16.411 614 HA LYS 8 HA LYS 8 9.254 0.926 -17.365 615 1HB LYS 8 2HB LYS 8 8.626 1.673 -19.520 616 2HB LYS 8 1HB LYS 8 7.455 2.431 -18.443 617 1HG LYS 8 2HG LYS 8 8.764 4.510 -18.447 618 2HG LYS 8 1HG LYS 8 9.977 3.757 -19.483 619 1HD LYS 8 2HD LYS 8 7.199 3.582 -20.481 620 2HD LYS 8 1HD LYS 8 7.877 5.210 -20.431 621 1HE LYS 8 2HE LYS 8 9.983 3.930 -21.493 622 2HE LYS 8 1HE LYS 8 8.703 2.864 -22.072 623 1HZ LYS 8 1HZ LYS 8 8.518 5.798 -22.363 624 2HZ LYS 8 3HZ LYS 8 9.324 4.847 -23.513 625 3HZ LYS 8 2HZ LYS 8 7.673 4.593 -23.212 626 H ASP 9 H ASP 9 10.550 4.184 -17.062 627 HA ASP 9 HA ASP 9 12.968 3.559 -18.590 628 1HB ASP 9 2HB ASP 9 12.120 5.902 -16.875 629 2HB ASP 9 1HB ASP 9 13.725 5.796 -17.600 630 OH TYR 10 OH TYR 10 15.949 1.298 -8.433 631 H TYR 10 H TYR 10 11.919 3.404 -15.271 632 HA TYR 10 HA TYR 10 14.660 3.111 -14.243 633 1HB TYR 10 2HB TYR 10 12.924 4.236 -12.883 634 2HB TYR 10 1HB TYR 10 11.976 2.749 -12.872 635 HD1 TYR 10 HD1 TYR 10 15.619 3.529 -12.393 636 HD2 TYR 10 HD2 TYR 10 12.077 1.691 -10.804 637 HE1 TYR 10 HE1 TYR 10 16.916 2.720 -10.439 638 HE2 TYR 10 HE2 TYR 10 13.373 0.882 -8.850 639 HH TYR 10 HH TYR 10 15.853 1.940 -7.725 640 H ALA 11 H ALA 11 11.949 1.089 -15.184 641 HA ALA 11 HA ALA 11 13.184 -1.331 -14.053 642 1HB ALA 11 3HB ALA 11 10.654 -0.880 -14.261 643 2HB ALA 11 2HB ALA 11 10.857 -1.243 -15.974 644 3HB ALA 11 1HB ALA 11 11.228 -2.470 -14.762 645 H MET 12 H MET 12 13.147 0.410 -17.060 646 HA MET 12 HA MET 12 14.146 -1.915 -18.579 647 1HB MET 12 2HB MET 12 13.622 0.962 -19.376 648 2HB MET 12 1HB MET 12 14.198 -0.284 -20.485 649 1HG MET 12 2HG MET 12 11.842 -1.092 -18.918 650 2HG MET 12 1HG MET 12 11.547 0.272 -19.996 651 1HE MET 12 2HE MET 12 10.066 -1.947 -20.019 652 2HE MET 12 1HE MET 12 9.900 -2.445 -21.701 653 3HE MET 12 3HE MET 12 10.701 -3.507 -20.536 654 NH1 ARG 13 NH1 ARG 13 22.028 4.909 -18.163 655 NH2 ARG 13 NH2 ARG 13 22.283 4.010 -20.221 656 H ARG 13 H ARG 13 15.356 1.128 -17.238 657 HA ARG 13 HA ARG 13 18.026 0.643 -18.398 658 1HB ARG 13 2HB ARG 13 16.630 2.907 -17.179 659 2HB ARG 13 1HB ARG 13 18.287 2.740 -16.605 660 1HG ARG 13 2HG ARG 13 18.439 2.271 -19.363 661 2HG ARG 13 1HG ARG 13 17.330 3.634 -19.198 662 1HD ARG 13 2HD ARG 13 19.149 4.942 -18.942 663 2HD ARG 13 1HD ARG 13 19.370 4.180 -17.367 664 HE ARG 13 HE ARG 13 20.582 2.405 -19.091 665 1HH1 ARG 13 2HH1 ARG 13 21.520 4.975 -17.305 666 2HH1 ARG 13 1HH1 ARG 13 22.846 5.467 -18.305 667 1HH2 ARG 13 1HH2 ARG 13 21.971 3.387 -20.938 668 2HH2 ARG 13 2HH2 ARG 13 23.101 4.568 -20.364 669 H PHE 14 H PHE 14 16.352 0.229 -15.348 670 HA PHE 14 HA PHE 14 18.948 -0.542 -14.087 671 1HB PHE 14 2HB PHE 14 16.300 0.002 -12.717 672 2HB PHE 14 1HB PHE 14 17.866 -0.217 -11.942 673 HD1 PHE 14 HD2 PHE 14 16.231 1.918 -14.574 674 HD2 PHE 14 HD1 PHE 14 19.120 1.671 -11.403 675 HE1 PHE 14 HE2 PHE 14 16.708 4.337 -14.818 676 HE2 PHE 14 HE1 PHE 14 19.595 4.093 -11.648 677 HZ PHE 14 HZ PHE 14 18.389 5.426 -13.356 678 H GLY 15 H GLY 15 16.276 -1.877 -15.588 679 1HA GLY 15 2HA GLY 15 15.952 -4.232 -15.891 680 2HA GLY 15 1HA GLY 15 16.913 -4.526 -14.441 681 H GLN 16 H GLN 16 13.977 -5.121 -15.452 682 HA GLN 16 HA GLN 16 12.199 -3.896 -13.583 683 1HB GLN 16 2HB GLN 16 11.881 -6.700 -14.672 684 2HB GLN 16 1HB GLN 16 10.614 -5.550 -14.241 685 1HG GLN 16 2HG GLN 16 10.594 -5.072 -16.465 686 2HG GLN 16 1HG GLN 16 12.032 -4.119 -16.099 687 1HE2 GLN 16 2HE2 GLN 16 13.356 -6.189 -18.744 688 2HE2 GLN 16 1HE2 GLN 16 12.560 -4.714 -18.472 689 H THR 17 H THR 17 14.500 -6.494 -13.260 690 HA THR 17 HA THR 17 13.371 -7.726 -10.915 691 HB THR 17 HB THR 17 15.046 -8.926 -12.176 692 HG1 THR 17 HG1 THR 17 15.739 -9.677 -10.364 693 1HG2 THR 17 1HG2 THR 17 16.213 -6.420 -12.485 694 2HG2 THR 17 3HG2 THR 17 17.359 -7.294 -11.469 695 3HG2 THR 17 2HG2 THR 17 16.888 -7.952 -13.036 696 H LYS 18 H LYS 18 15.598 -5.014 -11.409 697 HA LYS 18 HA LYS 18 16.144 -4.701 -8.566 698 1HB LYS 18 2HB LYS 18 16.535 -2.700 -10.808 699 2HB LYS 18 1HB LYS 18 17.296 -2.657 -9.217 700 1HG LYS 18 2HG LYS 18 18.224 -4.993 -9.797 701 2HG LYS 18 1HG LYS 18 17.766 -4.622 -11.460 702 1HD LYS 18 2HD LYS 18 19.102 -2.490 -11.267 703 2HD LYS 18 1HD LYS 18 19.686 -3.069 -9.706 704 1HE LYS 18 2HE LYS 18 19.948 -4.692 -12.246 705 2HE LYS 18 1HE LYS 18 21.196 -3.572 -11.700 706 1HZ LYS 18 1HZ LYS 18 21.113 -4.805 -9.526 707 2HZ LYS 18 3HZ LYS 18 20.188 -5.986 -10.316 708 3HZ LYS 18 2HZ LYS 18 21.772 -5.663 -10.836 709 H THR 19 H THR 19 14.181 -2.900 -10.937 710 HA THR 19 HA THR 19 13.101 -0.988 -9.159 711 HB THR 19 HB THR 19 11.760 -2.313 -11.538 712 HG1 THR 19 HG1 THR 19 13.880 -0.975 -11.550 713 1HG2 THR 19 2HG2 THR 19 10.954 -0.163 -9.680 714 2HG2 THR 19 1HG2 THR 19 10.786 0.232 -11.390 715 3HG2 THR 19 3HG2 THR 19 9.963 -1.179 -10.726 716 H ALA 20 H ALA 20 12.278 -4.367 -9.643 717 HA ALA 20 HA ALA 20 9.818 -4.217 -8.078 718 1HB ALA 20 3HB ALA 20 10.579 -5.971 -9.912 719 2HB ALA 20 2HB ALA 20 11.298 -6.786 -8.523 720 3HB ALA 20 1HB ALA 20 9.563 -6.476 -8.562 721 H LYS 21 H LYS 21 13.206 -4.995 -7.472 722 HA LYS 21 HA LYS 21 12.754 -6.062 -4.816 723 1HB LYS 21 2HB LYS 21 15.222 -4.981 -6.198 724 2HB LYS 21 1HB LYS 21 15.245 -5.661 -4.570 725 1HG LYS 21 2HG LYS 21 14.479 -7.801 -5.372 726 2HG LYS 21 1HG LYS 21 14.177 -7.148 -6.983 727 1HD LYS 21 2HD LYS 21 16.264 -8.250 -7.183 728 2HD LYS 21 1HD LYS 21 16.683 -6.545 -7.010 729 1HE LYS 21 2HE LYS 21 18.024 -7.219 -5.313 730 2HE LYS 21 1HE LYS 21 16.534 -7.396 -4.386 731 1HZ LYS 21 3HZ LYS 21 16.470 -9.695 -5.569 732 2HZ LYS 21 2HZ LYS 21 18.142 -9.448 -5.736 733 3HZ LYS 21 1HZ LYS 21 17.434 -9.475 -4.192 734 H ASP 22 H ASP 22 13.134 -2.866 -6.162 735 HA ASP 22 HA ASP 22 13.627 -1.636 -3.534 736 1HB ASP 22 2HB ASP 22 14.185 -0.873 -6.135 737 2HB ASP 22 1HB ASP 22 12.801 0.140 -5.725 738 H LEU 23 H LEU 23 10.961 -2.178 -5.760 739 HA LEU 23 HA LEU 23 9.136 -0.520 -4.138 740 1HB LEU 23 2HB LEU 23 8.845 -2.103 -6.692 741 2HB LEU 23 1HB LEU 23 7.437 -1.458 -5.848 742 HG LEU 23 HG LEU 23 9.654 0.461 -6.202 743 1HD1 LEU 23 3HD1 LEU 23 9.238 -1.101 -8.381 744 2HD1 LEU 23 2HD1 LEU 23 7.991 0.119 -8.634 745 3HD1 LEU 23 1HD1 LEU 23 9.680 0.603 -8.483 746 1HD2 LEU 23 2HD2 LEU 23 6.970 0.532 -5.545 747 2HD2 LEU 23 1HD2 LEU 23 7.933 1.929 -6.023 748 3HD2 LEU 23 3HD2 LEU 23 6.966 1.072 -7.224 749 H GLY 24 H GLY 24 10.332 -3.664 -4.051 750 1HA GLY 24 2HA GLY 24 9.715 -5.518 -2.753 751 2HA GLY 24 1HA GLY 24 8.600 -4.445 -1.906 752 H VAL 25 H VAL 25 8.470 -4.968 -5.385 753 HA VAL 25 HA VAL 25 5.826 -6.300 -4.969 754 HB VAL 25 HB VAL 25 5.576 -5.555 -7.481 755 1HG1 VAL 25 2HG1 VAL 25 5.019 -4.320 -4.935 756 2HG1 VAL 25 1HG1 VAL 25 5.336 -3.073 -6.140 757 3HG1 VAL 25 3HG1 VAL 25 4.067 -4.266 -6.419 758 1HG2 VAL 25 1HG2 VAL 25 8.119 -4.761 -7.228 759 2HG2 VAL 25 3HG2 VAL 25 6.978 -3.890 -8.254 760 3HG2 VAL 25 2HG2 VAL 25 7.338 -3.296 -6.633 761 OH TYR 26 OH TYR 26 1.849 -9.111 -3.857 762 H TYR 26 H TYR 26 5.405 -7.469 -7.381 763 HA TYR 26 HA TYR 26 7.549 -9.535 -7.442 764 1HB TYR 26 2HB TYR 26 5.062 -9.932 -9.018 765 2HB TYR 26 1HB TYR 26 5.936 -11.068 -7.994 766 HD1 TYR 26 HD2 TYR 26 5.739 -10.854 -5.470 767 HD2 TYR 26 HD1 TYR 26 3.198 -8.713 -8.193 768 HE1 TYR 26 HE2 TYR 26 4.123 -10.438 -3.637 769 HE2 TYR 26 HE1 TYR 26 1.582 -8.297 -6.360 770 HH TYR 26 HH TYR 26 1.913 -9.838 -3.235 771 H GLN 27 H GLN 27 8.482 -10.183 -9.446 772 HA GLN 27 HA GLN 27 8.935 -8.074 -11.332 773 1HB GLN 27 2HB GLN 27 9.399 -11.062 -11.606 774 2HB GLN 27 1HB GLN 27 10.062 -9.831 -12.681 775 1HG GLN 27 2HG GLN 27 11.224 -8.790 -10.755 776 2HG GLN 27 1HG GLN 27 10.592 -10.056 -9.702 777 1HE2 GLN 27 2HE2 GLN 27 12.586 -12.382 -12.081 778 2HE2 GLN 27 1HE2 GLN 27 10.931 -12.002 -12.116 779 H SER 28 H SER 28 6.442 -10.459 -11.059 780 HA SER 28 HA SER 28 5.657 -10.362 -13.875 781 1HB SER 28 2HB SER 28 5.179 -12.145 -11.878 782 2HB SER 28 1HB SER 28 3.678 -11.225 -11.845 783 HG SER 28 HG SER 28 3.269 -11.805 -13.902 784 H ALA 29 H ALA 29 5.058 -8.489 -11.030 785 HA ALA 29 HA ALA 29 2.580 -7.300 -12.075 786 1HB ALA 29 3HB ALA 29 4.239 -6.997 -9.594 787 2HB ALA 29 2HB ALA 29 3.150 -5.685 -10.040 788 3HB ALA 29 1HB ALA 29 2.509 -7.303 -9.747 789 H ILE 30 H ILE 30 5.999 -6.509 -11.798 790 HA ILE 30 HA ILE 30 5.639 -3.807 -12.854 791 HB ILE 30 HB ILE 30 7.982 -5.539 -12.104 792 1HG1 ILE 30 2HG1 ILE 30 7.297 -2.674 -11.397 793 2HG1 ILE 30 1HG1 ILE 30 6.698 -4.060 -10.486 794 1HG2 ILE 30 3HG2 ILE 30 8.033 -3.076 -13.851 795 2HG2 ILE 30 2HG2 ILE 30 9.415 -3.535 -12.854 796 3HG2 ILE 30 1HG2 ILE 30 8.837 -4.623 -14.117 797 1HD1 ILE 30 3HD1 ILE 30 9.020 -4.786 -10.062 798 2HD1 ILE 30 2HD1 ILE 30 9.618 -3.394 -10.963 799 3HD1 ILE 30 1HD1 ILE 30 8.744 -3.155 -9.450 800 H ASN 31 H ASN 31 6.334 -7.011 -14.105 801 HA ASN 31 HA ASN 31 7.163 -6.092 -16.738 802 1HB ASN 31 2HB ASN 31 7.631 -8.388 -15.618 803 2HB ASN 31 1HB ASN 31 6.003 -8.815 -16.146 804 1HD2 ASN 31 2HD2 ASN 31 7.280 -9.695 -19.303 805 2HD2 ASN 31 1HD2 ASN 31 6.290 -10.104 -17.986 806 H LYS 32 H LYS 32 4.115 -7.156 -15.255 807 HA LYS 32 HA LYS 32 2.627 -7.052 -17.746 808 1HB LYS 32 2HB LYS 32 0.646 -7.292 -16.333 809 2HB LYS 32 1HB LYS 32 1.898 -8.415 -15.795 810 1HG LYS 32 2HG LYS 32 2.520 -6.981 -13.978 811 2HG LYS 32 1HG LYS 32 1.516 -5.667 -14.595 812 1HD LYS 32 2HD LYS 32 -0.452 -7.344 -14.352 813 2HD LYS 32 1HD LYS 32 0.645 -8.253 -13.312 814 1HE LYS 32 2HE LYS 32 1.022 -6.030 -12.065 815 2HE LYS 32 1HE LYS 32 -0.410 -5.451 -12.918 816 1HZ LYS 32 1HZ LYS 32 -0.500 -8.021 -11.491 817 2HZ LYS 32 3HZ LYS 32 -0.654 -6.577 -10.617 818 3HZ LYS 32 2HZ LYS 32 -1.764 -6.945 -11.850 819 H ALA 33 H ALA 33 3.424 -4.777 -15.196 820 HA ALA 33 HA ALA 33 1.490 -2.769 -15.927 821 1HB ALA 33 1HB ALA 33 3.295 -3.069 -13.871 822 2HB ALA 33 3HB ALA 33 4.044 -1.793 -14.831 823 3HB ALA 33 2HB ALA 33 2.405 -1.586 -14.214 824 H ILE 34 H ILE 34 4.888 -3.318 -16.801 825 HA ILE 34 HA ILE 34 5.037 -1.026 -18.565 826 HB ILE 34 HB ILE 34 6.718 -3.528 -18.264 827 1HG1 ILE 34 2HG1 ILE 34 7.754 -0.761 -17.891 828 2HG1 ILE 34 1HG1 ILE 34 6.602 -1.339 -16.687 829 1HG2 ILE 34 2HG2 ILE 34 6.706 -2.711 -20.639 830 2HG2 ILE 34 1HG2 ILE 34 7.271 -1.145 -20.058 831 3HG2 ILE 34 3HG2 ILE 34 8.284 -2.576 -19.862 832 1HD1 ILE 34 1HD1 ILE 34 8.960 -3.020 -17.532 833 2HD1 ILE 34 3HD1 ILE 34 9.102 -1.815 -16.253 834 3HD1 ILE 34 2HD1 ILE 34 7.979 -3.162 -16.073 835 H HIS 35 H HIS 35 4.068 -4.382 -18.895 836 HA HIS 35 HA HIS 35 4.081 -4.566 -21.743 837 1HB HIS 35 2HB HIS 35 2.589 -5.955 -19.535 838 2HB HIS 35 1HB HIS 35 2.105 -6.229 -21.209 839 HD1 HIS 35 HD1 HIS 35 3.038 -8.569 -21.526 840 HD2 HIS 35 HD2 HIS 35 5.888 -5.895 -20.081 841 HE1 HIS 35 HE1 HIS 35 5.262 -9.775 -21.618 842 H ALA 36 H ALA 36 1.724 -3.271 -19.450 843 HA ALA 36 HA ALA 36 -0.317 -2.807 -21.474 844 1HB ALA 36 3HB ALA 36 -0.867 -3.095 -19.067 845 2HB ALA 36 2HB ALA 36 -0.010 -1.597 -18.708 846 3HB ALA 36 1HB ALA 36 -1.470 -1.563 -19.698 847 H GLY 37 H GLY 37 2.539 -1.177 -20.458 848 1HA GLY 37 2HA GLY 37 3.431 0.923 -21.019 849 2HA GLY 37 1HA GLY 37 2.517 0.737 -22.516 850 NH1 ARG 38 NH1 ARG 38 -2.828 -1.343 -17.186 851 NH2 ARG 38 NH2 ARG 38 -3.430 -0.788 -15.079 852 H ARG 38 H ARG 38 1.255 1.020 -19.204 853 HA ARG 38 HA ARG 38 -0.500 3.206 -20.136 854 1HB ARG 38 2HB ARG 38 -1.291 3.004 -17.639 855 2HB ARG 38 1HB ARG 38 -1.731 1.743 -18.790 856 1HG ARG 38 2HG ARG 38 -0.139 0.240 -17.954 857 2HG ARG 38 1HG ARG 38 0.816 1.519 -17.207 858 1HD ARG 38 2HD ARG 38 -0.524 0.133 -15.574 859 2HD ARG 38 1HD ARG 38 -0.844 1.865 -15.495 860 HE ARG 38 HE ARG 38 -2.952 1.454 -16.705 861 1HH1 ARG 38 2HH1 ARG 38 -2.406 -1.098 -18.059 862 2HH1 ARG 38 1HH1 ARG 38 -3.209 -2.257 -17.053 863 1HH2 ARG 38 1HH2 ARG 38 -3.470 -0.117 -14.338 864 2HH2 ARG 38 2HH2 ARG 38 -3.812 -1.701 -14.947 865 H LYS 39 H LYS 39 -0.784 4.791 -17.920 866 HA LYS 39 HA LYS 39 1.780 6.247 -17.933 867 1HB LYS 39 2HB LYS 39 -1.042 6.872 -17.378 868 2HB LYS 39 1HB LYS 39 0.100 7.683 -16.305 869 1HG LYS 39 2HG LYS 39 -0.126 9.143 -18.169 870 2HG LYS 39 1HG LYS 39 1.401 8.300 -18.436 871 1HD LYS 39 2HD LYS 39 -0.860 6.820 -19.529 872 2HD LYS 39 1HD LYS 39 -0.727 8.433 -20.230 873 1HE LYS 39 2HE LYS 39 1.697 6.661 -19.955 874 2HE LYS 39 1HE LYS 39 0.620 6.517 -21.345 875 1HZ LYS 39 1HZ LYS 39 1.513 9.196 -20.597 876 2HZ LYS 39 3HZ LYS 39 2.653 8.173 -21.324 877 3HZ LYS 39 2HZ LYS 39 1.207 8.543 -22.134 878 H ILE 40 H ILE 40 2.939 4.634 -16.659 879 HA ILE 40 HA ILE 40 2.209 4.682 -13.763 880 HB ILE 40 HB ILE 40 4.192 2.854 -15.155 881 1HG1 ILE 40 2HG1 ILE 40 1.233 2.581 -14.591 882 2HG1 ILE 40 1HG1 ILE 40 2.094 2.279 -16.100 883 1HG2 ILE 40 3HG2 ILE 40 3.926 3.449 -12.493 884 2HG2 ILE 40 2HG2 ILE 40 2.839 2.069 -12.648 885 3HG2 ILE 40 1HG2 ILE 40 4.534 1.913 -13.108 886 1HD1 ILE 40 1HD1 ILE 40 3.349 0.438 -14.754 887 2HD1 ILE 40 3HD1 ILE 40 2.014 0.586 -13.609 888 3HD1 ILE 40 2HD1 ILE 40 1.697 0.110 -15.278 889 H PHE 41 H PHE 41 3.144 6.574 -13.068 890 HA PHE 41 HA PHE 41 5.871 7.274 -13.941 891 1HB PHE 41 2HB PHE 41 4.232 8.737 -11.875 892 2HB PHE 41 1HB PHE 41 5.460 9.383 -12.965 893 HD1 PHE 41 HD1 PHE 41 4.414 7.675 -15.398 894 HD2 PHE 41 HD2 PHE 41 2.512 10.350 -12.624 895 HE1 PHE 41 HE1 PHE 41 2.670 8.182 -17.079 896 HE2 PHE 41 HE2 PHE 41 0.769 10.855 -14.308 897 HZ PHE 41 HZ PHE 41 0.847 9.771 -16.537 898 H LEU 42 H LEU 42 7.458 7.949 -12.190 899 HA LEU 42 HA LEU 42 7.208 6.225 -9.761 900 1HB LEU 42 2HB LEU 42 8.864 5.653 -11.927 901 2HB LEU 42 1HB LEU 42 9.942 6.436 -10.771 902 HG LEU 42 HG LEU 42 9.095 4.871 -9.005 903 1HD1 LEU 42 2HD1 LEU 42 7.053 4.404 -10.795 904 2HD1 LEU 42 1HD1 LEU 42 8.059 2.969 -10.990 905 3HD1 LEU 42 3HD1 LEU 42 7.425 3.390 -9.400 906 1HD2 LEU 42 2HD2 LEU 42 11.106 4.490 -10.671 907 2HD2 LEU 42 1HD2 LEU 42 10.581 3.177 -9.618 908 3HD2 LEU 42 3HD2 LEU 42 10.076 3.208 -11.307 909 H THR 43 H THR 43 7.618 7.398 -7.940 910 HA THR 43 HA THR 43 9.271 9.878 -8.225 911 HB THR 43 HB THR 43 6.860 9.334 -6.474 912 HG1 THR 43 HG1 THR 43 7.400 10.764 -8.782 913 1HG2 THR 43 2HG2 THR 43 8.995 11.439 -6.353 914 2HG2 THR 43 1HG2 THR 43 7.343 11.858 -5.902 915 3HG2 THR 43 3HG2 THR 43 8.199 10.583 -5.032 916 H ILE 44 H ILE 44 11.228 8.954 -7.520 917 HA ILE 44 HA ILE 44 11.306 7.284 -5.119 918 HB ILE 44 HB ILE 44 13.767 8.542 -6.268 919 1HG1 ILE 44 2HG1 ILE 44 12.035 6.463 -7.631 920 2HG1 ILE 44 1HG1 ILE 44 12.610 7.990 -8.300 921 1HG2 ILE 44 1HG2 ILE 44 13.894 6.963 -4.376 922 2HG2 ILE 44 3HG2 ILE 44 13.050 5.746 -5.333 923 3HG2 ILE 44 2HG2 ILE 44 14.659 6.286 -5.812 924 1HD1 ILE 44 3HD1 ILE 44 14.987 7.034 -7.844 925 2HD1 ILE 44 2HD1 ILE 44 14.171 5.475 -7.741 926 3HD1 ILE 44 1HD1 ILE 44 14.090 6.415 -9.231 927 H ASN 45 H ASN 45 11.493 8.041 -3.066 928 HA ASN 45 HA ASN 45 11.747 10.917 -2.601 929 1HB ASN 45 2HB ASN 45 11.535 8.564 -0.699 930 2HB ASN 45 1HB ASN 45 11.552 10.252 -0.191 931 1HD2 ASN 45 2HD2 ASN 45 7.980 9.228 -0.574 932 2HD2 ASN 45 1HD2 ASN 45 9.277 8.732 0.405 933 H ALA 46 H ALA 46 13.519 11.956 -1.701 934 HA ALA 46 HA ALA 46 16.109 11.268 -2.277 935 1HB ALA 46 3HB ALA 46 15.034 12.764 0.117 936 2HB ALA 46 2HB ALA 46 16.763 12.617 -0.198 937 3HB ALA 46 1HB ALA 46 15.720 13.430 -1.365 938 H ASP 47 H ASP 47 14.170 9.850 0.272 939 HA ASP 47 HA ASP 47 16.482 8.635 1.603 940 1HB ASP 47 2HB ASP 47 13.541 8.716 2.015 941 2HB ASP 47 1HB ASP 47 14.370 7.274 2.600 942 H GLY 48 H GLY 48 16.003 8.023 -1.294 943 1HA GLY 48 2HA GLY 48 16.092 6.152 -2.699 944 2HA GLY 48 1HA GLY 48 16.654 5.267 -1.281 945 H SER 49 H SER 49 13.554 6.885 -1.242 946 HA SER 49 HA SER 49 12.249 4.242 -0.908 947 1HB SER 49 2HB SER 49 10.676 5.353 0.307 948 2HB SER 49 1HB SER 49 11.861 6.655 0.342 949 HG SER 49 HG SER 49 9.622 7.095 -0.462 950 H VAL 50 H VAL 50 10.350 3.679 -2.192 951 HA VAL 50 HA VAL 50 10.422 4.969 -4.891 952 HB VAL 50 HB VAL 50 9.227 2.258 -4.537 953 1HG1 VAL 50 1HG1 VAL 50 10.815 3.750 -6.630 954 2HG1 VAL 50 3HG1 VAL 50 10.515 2.017 -6.753 955 3HG1 VAL 50 2HG1 VAL 50 9.161 3.148 -6.739 956 1HG2 VAL 50 1HG2 VAL 50 12.205 2.838 -4.509 957 2HG2 VAL 50 3HG2 VAL 50 11.279 2.032 -3.243 958 3HG2 VAL 50 2HG2 VAL 50 11.504 1.247 -4.807 959 OH TYR 51 OH TYR 51 1.001 8.561 -2.896 960 H TYR 51 H TYR 51 8.700 6.280 -5.138 961 HA TYR 51 HA TYR 51 6.063 5.346 -4.072 962 1HB TYR 51 2HB TYR 51 7.017 7.357 -2.873 963 2HB TYR 51 1HB TYR 51 6.936 8.232 -4.403 964 HD1 TYR 51 HD1 TYR 51 4.726 5.997 -2.337 965 HD2 TYR 51 HD2 TYR 51 5.046 9.533 -4.756 966 HE1 TYR 51 HE1 TYR 51 2.328 6.488 -1.936 967 HE2 TYR 51 HE2 TYR 51 2.650 10.024 -4.354 968 HH TYR 51 HH TYR 51 0.853 9.492 -3.080 969 H ALA 52 H ALA 52 5.753 4.342 -6.176 970 HA ALA 52 HA ALA 52 5.791 5.995 -8.577 971 1HB ALA 52 3HB ALA 52 5.993 3.318 -8.140 972 2HB ALA 52 2HB ALA 52 4.301 3.442 -8.621 973 3HB ALA 52 1HB ALA 52 5.568 4.026 -9.698 974 H GLU 53 H GLU 53 3.920 6.468 -9.868 975 HA GLU 53 HA GLU 53 1.365 6.587 -8.321 976 1HB GLU 53 2HB GLU 53 2.888 8.694 -9.739 977 2HB GLU 53 1HB GLU 53 1.155 8.673 -10.066 978 1HG GLU 53 2HG GLU 53 0.645 8.819 -7.701 979 2HG GLU 53 1HG GLU 53 2.351 8.643 -7.282 980 H GLU 54 H GLU 54 -0.559 6.469 -9.660 981 HA GLU 54 HA GLU 54 -0.048 5.294 -12.365 982 1HB GLU 54 2HB GLU 54 -0.832 3.669 -10.519 983 2HB GLU 54 1HB GLU 54 -2.374 4.525 -10.590 984 1HG GLU 54 2HG GLU 54 -2.870 3.746 -12.704 985 2HG GLU 54 1HG GLU 54 -1.173 3.623 -13.171 986 H VAL 55 H VAL 55 -0.782 6.780 -13.808 987 HA VAL 55 HA VAL 55 -3.416 8.052 -13.242 988 HB VAL 55 HB VAL 55 -1.493 9.738 -14.722 989 1HG1 VAL 55 3HG1 VAL 55 -3.682 9.954 -12.721 990 2HG1 VAL 55 2HG1 VAL 55 -2.454 11.219 -12.678 991 3HG1 VAL 55 1HG1 VAL 55 -3.372 10.930 -14.157 992 1HG2 VAL 55 3HG2 VAL 55 -1.083 9.120 -11.776 993 2HG2 VAL 55 2HG2 VAL 55 0.058 8.784 -13.077 994 3HG2 VAL 55 1HG2 VAL 55 -0.316 10.452 -12.644 995 H LYS 56 H LYS 56 -4.376 6.613 -14.712 996 HA LYS 56 HA LYS 56 -4.045 7.392 -17.530 997 1HB LYS 56 2HB LYS 56 -2.427 5.591 -17.365 998 2HB LYS 56 1HB LYS 56 -3.599 4.561 -16.543 999 1HG LYS 56 2HG LYS 56 -3.977 3.754 -18.645 1000 2HG LYS 56 1HG LYS 56 -4.990 5.187 -18.800 1001 1HD LYS 56 2HD LYS 56 -3.122 6.437 -19.776 1002 2HD LYS 56 1HD LYS 56 -2.063 5.042 -19.572 1003 1HE LYS 56 2HE LYS 56 -2.765 4.200 -21.534 1004 2HE LYS 56 1HE LYS 56 -4.428 4.189 -20.947 1005 1HZ LYS 56 2HZ LYS 56 -3.828 6.826 -21.491 1006 2HZ LYS 56 1HZ LYS 56 -3.204 5.944 -22.803 1007 3HZ LYS 56 3HZ LYS 56 -4.842 5.800 -22.389 1008 HA PRO 57 HA PRO 57 -8.401 6.659 -17.183 1009 1HB PRO 57 2HB PRO 57 -9.005 7.152 -19.817 1010 2HB PRO 57 1HB PRO 57 -8.661 8.430 -18.638 1011 1HG PRO 57 2HG PRO 57 -6.946 7.408 -20.848 1012 2HG PRO 57 1HG PRO 57 -6.936 8.997 -20.064 1013 1HD PRO 57 2HD PRO 57 -5.109 6.877 -19.578 1014 2HD PRO 57 1HD PRO 57 -5.286 8.356 -18.610 1015 H PHE 58 H PHE 58 -9.723 4.839 -17.488 1016 HA PHE 58 HA PHE 58 -8.637 2.743 -19.315 1017 1HB PHE 58 2HB PHE 58 -9.083 1.148 -17.742 1018 2HB PHE 58 1HB PHE 58 -9.015 2.510 -16.629 1019 HD1 PHE 58 HD2 PHE 58 -11.372 0.534 -18.757 1020 HD2 PHE 58 HD1 PHE 58 -10.909 3.096 -15.339 1021 HE1 PHE 58 HE2 PHE 58 -13.736 0.128 -18.131 1022 HE2 PHE 58 HE1 PHE 58 -13.273 2.690 -14.715 1023 HZ PHE 58 HZ PHE 58 -14.688 1.206 -16.111 1024 HA PRO 59 HA PRO 59 -9.331 0.815 -19.850 1025 1HB PRO 59 2HB PRO 59 -9.783 -0.170 -22.374 1026 2HB PRO 59 1HB PRO 59 -10.717 -0.665 -20.953 1027 1HG PRO 59 2HG PRO 59 -11.523 1.126 -23.194 1028 2HG PRO 59 1HG PRO 59 -12.536 0.131 -22.133 1029 1HD PRO 59 2HD PRO 59 -12.142 2.932 -21.917 1030 2HD PRO 59 1HD PRO 59 -12.894 1.881 -20.698 1031 H SER 60 H SER 60 -7.493 0.332 -21.555 1032 HA SER 60 HA SER 60 -6.196 2.819 -22.197 1033 1HB SER 60 2HB SER 60 -4.438 1.462 -23.118 1034 2HB SER 60 1HB SER 60 -5.059 0.596 -21.715 1035 HG SER 60 HG SER 60 -6.546 -0.334 -23.478 1036 H ASN 61 H ASN 61 -5.186 1.916 -24.859 1037 HA ASN 61 HA ASN 61 -7.357 3.102 -26.454 1038 1HB ASN 61 2HB ASN 61 -4.476 2.790 -26.702 1039 2HB ASN 61 1HB ASN 61 -5.300 2.309 -28.185 1040 1HD2 ASN 61 2HD2 ASN 61 -5.372 6.229 -27.013 1041 2HD2 ASN 61 1HD2 ASN 61 -4.792 5.036 -25.954 1042 H LYS 62 H LYS 62 -8.943 1.760 -27.167 1043 HA LYS 62 HA LYS 62 -8.121 -0.853 -28.344 1044 1HB LYS 62 2HB LYS 62 -10.021 -0.362 -26.102 1045 2HB LYS 62 1HB LYS 62 -10.493 -1.563 -27.303 1046 1HG LYS 62 2HG LYS 62 -7.978 -2.372 -26.958 1047 2HG LYS 62 1HG LYS 62 -8.200 -1.599 -25.388 1048 1HD LYS 62 2HD LYS 62 -9.255 -3.469 -24.706 1049 2HD LYS 62 1HD LYS 62 -10.560 -3.058 -25.820 1050 1HE LYS 62 2HE LYS 62 -10.030 -4.787 -27.158 1051 2HE LYS 62 1HE LYS 62 -8.362 -4.229 -27.279 1052 1HZ LYS 62 2HZ LYS 62 -9.026 -5.420 -24.741 1053 2HZ LYS 62 1HZ LYS 62 -9.142 -6.495 -26.052 1054 3HZ LYS 62 3HZ LYS 62 -7.684 -5.684 -25.748 1055 H LYS 63 H LYS 63 -8.687 -0.597 -30.460 1056 HA LYS 63 HA LYS 63 -11.084 0.997 -31.146 1057 1HB LYS 63 2HB LYS 63 -9.233 -0.432 -33.065 1058 2HB LYS 63 1HB LYS 63 -10.293 0.939 -33.397 1059 1HG LYS 63 2HG LYS 63 -8.730 2.416 -32.718 1060 2HG LYS 63 1HG LYS 63 -8.440 1.519 -31.226 1061 1HD LYS 63 2HD LYS 63 -7.135 -0.150 -32.689 1062 2HD LYS 63 1HD LYS 63 -7.175 1.098 -33.935 1063 1HE LYS 63 2HE LYS 63 -5.813 2.541 -32.730 1064 2HE LYS 63 1HE LYS 63 -6.282 1.852 -31.175 1065 1HZ LYS 63 3HZ LYS 63 -5.052 -0.159 -31.755 1066 2HZ LYS 63 2HZ LYS 63 -4.569 0.549 -33.223 1067 3HZ LYS 63 1HZ LYS 63 -4.041 1.204 -31.746 1068 H THR 64 H THR 64 -11.426 -0.662 -33.638 1069 HA THR 64 HA THR 64 -12.582 -3.139 -32.455 1070 HB THR 64 HB THR 64 -14.440 -2.430 -34.368 1071 HG1 THR 64 HG1 THR 64 -14.912 -0.263 -33.929 1072 1HG2 THR 64 3HG2 THR 64 -14.256 -2.685 -31.497 1073 2HG2 THR 64 2HG2 THR 64 -15.370 -1.384 -31.919 1074 3HG2 THR 64 1HG2 THR 64 -15.632 -3.010 -32.551 1075 H THR 65 H THR 65 -11.879 -4.855 -33.626 1076 HA THR 65 HA THR 65 -11.721 -4.681 -36.560 1077 HB THR 65 HB THR 65 -9.253 -5.453 -34.984 1078 HG1 THR 65 HG1 THR 65 -8.472 -3.416 -35.740 1079 1HG2 THR 65 1HG2 THR 65 -10.076 -5.493 -37.804 1080 2HG2 THR 65 3HG2 THR 65 -8.521 -4.702 -37.530 1081 3HG2 THR 65 2HG2 THR 65 -8.771 -6.366 -36.999 1082 H ALA 66 HN ALA 66 -13.337 -6.341 -36.438 1083 HA ALA 66 HA ALA 66 -12.500 -8.903 -35.183 1084 1HB ALA 66 2HB ALA 66 -15.096 -7.671 -35.950 1085 2HB ALA 66 1HB ALA 66 -14.980 -9.423 -36.117 1086 3HB ALA 66 3HB ALA 66 -14.694 -8.665 -34.550 Start of MODEL 4 Raw file had 1086 H/Q atoms Start of MODEL 4 1 1H MET 1 2H MET 1 -24.828 19.237 -12.109 2 2H MET 1 1H MET 1 -25.363 20.223 -10.834 3 3H MET 1 3H MET 1 -23.770 20.359 -11.398 4 HA MET 1 HA MET 1 -23.287 19.047 -9.658 5 1HB MET 1 2HB MET 1 -25.132 17.337 -8.889 6 2HB MET 1 1HB MET 1 -25.317 19.048 -8.498 7 1HG MET 1 2HG MET 1 -27.198 19.189 -9.727 8 2HG MET 1 1HG MET 1 -26.388 18.496 -11.132 9 1HE MET 1 2HE MET 1 -28.480 17.853 -11.750 10 2HE MET 1 1HE MET 1 -29.040 16.194 -11.550 11 3HE MET 1 3HE MET 1 -29.686 17.480 -10.520 12 H GLU 2 H GLU 2 -21.778 17.662 -10.460 13 HA GLU 2 HA GLU 2 -22.541 15.694 -12.527 14 1HB GLU 2 2HB GLU 2 -19.829 16.158 -11.255 15 2HB GLU 2 1HB GLU 2 -20.166 15.292 -12.755 16 1HG GLU 2 2HG GLU 2 -21.383 17.788 -13.100 17 2HG GLU 2 1HG GLU 2 -19.843 18.150 -12.320 18 H GLN 3 H GLN 3 -22.672 13.496 -12.160 19 HA GLN 3 HA GLN 3 -22.804 12.626 -9.361 20 1HB GLN 3 2HB GLN 3 -23.428 11.369 -12.024 21 2HB GLN 3 1HB GLN 3 -23.297 10.362 -10.582 22 1HG GLN 3 2HG GLN 3 -25.308 11.045 -9.826 23 2HG GLN 3 1HG GLN 3 -24.889 12.741 -10.067 24 1HE2 GLN 3 2HE2 GLN 3 -27.153 12.900 -12.758 25 2HE2 GLN 3 1HE2 GLN 3 -26.559 13.606 -11.333 26 NH1 ARG 4 NH1 ARG 4 -13.794 10.834 -9.725 27 NH2 ARG 4 NH2 ARG 4 -13.401 12.756 -10.849 28 H ARG 4 H ARG 4 -20.998 11.955 -8.318 29 HA ARG 4 HA ARG 4 -18.781 10.788 -9.947 30 1HB ARG 4 2HB ARG 4 -18.888 12.325 -7.370 31 2HB ARG 4 1HB ARG 4 -17.560 11.192 -7.631 32 1HG ARG 4 2HG ARG 4 -18.328 13.306 -9.656 33 2HG ARG 4 1HG ARG 4 -17.121 13.580 -8.399 34 1HD ARG 4 2HD ARG 4 -16.615 11.059 -9.716 35 2HD ARG 4 1HD ARG 4 -16.717 12.352 -10.910 36 HE ARG 4 HE ARG 4 -15.091 13.309 -8.805 37 1HH1 ARG 4 2HH1 ARG 4 -14.350 10.302 -9.088 38 2HH1 ARG 4 1HH1 ARG 4 -12.981 10.426 -10.140 39 1HH2 ARG 4 1HH2 ARG 4 -13.657 13.696 -11.072 40 2HH2 ARG 4 2HH2 ARG 4 -12.589 12.346 -11.265 41 H ILE 5 H ILE 5 -18.741 8.591 -9.885 42 HA ILE 5 HA ILE 5 -19.193 7.230 -7.291 43 HB ILE 5 HB ILE 5 -20.578 6.310 -9.818 44 1HG1 ILE 5 2HG1 ILE 5 -22.648 7.108 -8.411 45 2HG1 ILE 5 1HG1 ILE 5 -21.473 8.163 -7.623 46 1HG2 ILE 5 2HG2 ILE 5 -20.220 5.284 -7.094 47 2HG2 ILE 5 1HG2 ILE 5 -21.911 5.347 -7.591 48 3HG2 ILE 5 3HG2 ILE 5 -20.742 4.440 -8.552 49 1HD1 ILE 5 2HD1 ILE 5 -20.900 8.429 -10.339 50 2HD1 ILE 5 1HD1 ILE 5 -22.662 8.381 -10.278 51 3HD1 ILE 5 3HD1 ILE 5 -21.779 9.590 -9.345 52 H THR 6 H THR 6 -18.053 5.248 -7.149 53 HA THR 6 HA THR 6 -15.819 4.980 -8.992 54 HB THR 6 HB THR 6 -16.624 2.911 -6.951 55 HG1 THR 6 HG1 THR 6 -15.785 5.534 -6.592 56 1HG2 THR 6 3HG2 THR 6 -14.004 3.932 -8.074 57 2HG2 THR 6 2HG2 THR 6 -14.117 2.797 -6.729 58 3HG2 THR 6 1HG2 THR 6 -14.722 2.339 -8.322 59 H LEU 7 H LEU 7 -15.367 3.022 -10.238 60 HA LEU 7 HA LEU 7 -17.546 2.169 -11.860 61 1HB LEU 7 2HB LEU 7 -15.194 2.090 -12.605 62 2HB LEU 7 1HB LEU 7 -14.857 0.836 -11.413 63 HG LEU 7 HG LEU 7 -16.700 -0.534 -12.530 64 1HD1 LEU 7 3HD1 LEU 7 -16.826 1.919 -14.077 65 2HD1 LEU 7 2HD1 LEU 7 -16.520 0.531 -15.121 66 3HD1 LEU 7 1HD1 LEU 7 -17.938 0.551 -14.071 67 1HD2 LEU 7 3HD2 LEU 7 -14.054 0.185 -13.741 68 2HD2 LEU 7 2HD2 LEU 7 -14.576 -1.339 -13.022 69 3HD2 LEU 7 1HD2 LEU 7 -15.127 -0.891 -14.637 70 H LYS 8 H LYS 8 -16.560 1.163 -8.738 71 HA LYS 8 HA LYS 8 -17.776 -1.515 -8.989 72 1HB LYS 8 2HB LYS 8 -16.995 -1.899 -6.759 73 2HB LYS 8 1HB LYS 8 -15.709 -1.015 -7.581 74 1HG LYS 8 2HG LYS 8 -16.484 1.087 -6.592 75 2HG LYS 8 1HG LYS 8 -17.826 0.247 -5.814 76 1HD LYS 8 2HD LYS 8 -16.161 0.431 -4.127 77 2HD LYS 8 1HD LYS 8 -16.043 -1.232 -4.704 78 1HE LYS 8 2HE LYS 8 -14.388 0.807 -6.112 79 2HE LYS 8 1HE LYS 8 -13.887 0.353 -4.483 80 1HZ LYS 8 2HZ LYS 8 -14.615 -1.927 -6.017 81 2HZ LYS 8 1HZ LYS 8 -13.396 -1.037 -6.799 82 3HZ LYS 8 3HZ LYS 8 -13.156 -1.593 -5.214 83 H ASP 9 H ASP 9 -18.565 1.669 -7.744 84 HA ASP 9 HA ASP 9 -20.933 0.711 -6.304 85 1HB ASP 9 2HB ASP 9 -19.608 3.344 -6.771 86 2HB ASP 9 1HB ASP 9 -21.333 3.360 -6.404 87 OH TYR 10 OH TYR 10 -25.258 4.001 -15.630 88 H TYR 10 H TYR 10 -20.178 2.033 -9.464 89 HA TYR 10 HA TYR 10 -22.994 2.505 -10.130 90 1HB TYR 10 2HB TYR 10 -21.105 3.843 -11.116 91 2HB TYR 10 1HB TYR 10 -20.595 2.394 -11.982 92 HD1 TYR 10 HD2 TYR 10 -24.042 3.641 -11.253 93 HD2 TYR 10 HD1 TYR 10 -21.076 2.823 -14.250 94 HE1 TYR 10 HE2 TYR 10 -25.707 4.115 -13.028 95 HE2 TYR 10 HE1 TYR 10 -22.741 3.298 -16.026 96 HH TYR 10 HH TYR 10 -25.154 3.339 -16.318 97 H ALA 11 H ALA 11 -20.571 0.002 -10.650 98 HA ALA 11 HA ALA 11 -22.300 -1.517 -12.463 99 1HB ALA 11 1HB ALA 11 -19.605 -1.453 -12.098 100 2HB ALA 11 3HB ALA 11 -20.022 -2.879 -11.148 101 3HB ALA 11 2HB ALA 11 -20.453 -2.801 -12.856 102 H MET 12 H MET 12 -21.639 -1.412 -9.021 103 HA MET 12 HA MET 12 -23.001 -3.996 -8.587 104 1HB MET 12 2HB MET 12 -21.592 -2.031 -6.791 105 2HB MET 12 1HB MET 12 -22.584 -3.327 -6.122 106 1HG MET 12 2HG MET 12 -20.795 -4.285 -8.222 107 2HG MET 12 1HG MET 12 -19.916 -3.550 -6.881 108 1HE MET 12 2HE MET 12 -22.139 -5.855 -8.325 109 2HE MET 12 1HE MET 12 -21.341 -7.307 -7.725 110 3HE MET 12 3HE MET 12 -22.914 -6.825 -7.075 111 NH1 ARG 13 NH1 ARG 13 -23.497 1.801 -2.420 112 NH2 ARG 13 NH2 ARG 13 -25.156 1.172 -1.019 113 H ARG 13 H ARG 13 -23.545 -0.549 -7.921 114 HA ARG 13 HA ARG 13 -26.133 -1.073 -6.670 115 1HB ARG 13 2HB ARG 13 -24.843 1.503 -7.618 116 2HB ARG 13 1HB ARG 13 -26.359 1.416 -6.723 117 1HG ARG 13 2HG ARG 13 -24.625 -0.157 -5.219 118 2HG ARG 13 1HG ARG 13 -23.617 1.194 -5.740 119 1HD ARG 13 2HD ARG 13 -24.691 2.643 -4.379 120 2HD ARG 13 1HD ARG 13 -26.275 2.065 -4.897 121 HE ARG 13 HE ARG 13 -26.108 0.302 -3.181 122 1HH1 ARG 13 2HH1 ARG 13 -23.147 1.923 -3.349 123 2HH1 ARG 13 1HH1 ARG 13 -22.923 2.036 -1.636 124 1HH2 ARG 13 1HH2 ARG 13 -26.077 0.814 -0.876 125 2HH2 ARG 13 2HH2 ARG 13 -24.583 1.409 -0.235 126 H PHE 14 H PHE 14 -24.968 -0.363 -9.899 127 HA PHE 14 HA PHE 14 -27.815 -0.223 -10.811 128 1HB PHE 14 2HB PHE 14 -25.386 0.801 -12.302 129 2HB PHE 14 1HB PHE 14 -27.081 1.094 -12.689 130 HD1 PHE 14 HD2 PHE 14 -24.695 1.479 -9.815 131 HD2 PHE 14 HD1 PHE 14 -28.048 3.089 -11.965 132 HE1 PHE 14 HE2 PHE 14 -24.693 3.464 -8.329 133 HE2 PHE 14 HE1 PHE 14 -28.045 5.074 -10.478 134 HZ PHE 14 HZ PHE 14 -26.368 5.263 -8.660 135 H GLY 15 H GLY 15 -24.940 -2.062 -10.870 136 1HA GLY 15 2HA GLY 15 -25.019 -4.354 -11.715 137 2HA GLY 15 1HA GLY 15 -26.146 -3.815 -12.960 138 H GLN 16 H GLN 16 -23.466 -5.192 -13.144 139 HA GLN 16 HA GLN 16 -21.599 -3.280 -14.258 140 1HB GLN 16 2HB GLN 16 -21.783 -6.292 -14.587 141 2HB GLN 16 1HB GLN 16 -20.409 -5.303 -15.083 142 1HG GLN 16 2HG GLN 16 -19.583 -5.510 -13.000 143 2HG GLN 16 1HG GLN 16 -20.955 -4.569 -12.414 144 1HE2 GLN 16 2HE2 GLN 16 -21.150 -7.754 -10.567 145 2HE2 GLN 16 1HE2 GLN 16 -20.156 -6.379 -10.590 146 H THR 17 H THR 17 -24.372 -4.970 -15.484 147 HA THR 17 HA THR 17 -23.640 -4.806 -18.288 148 HB THR 17 HB THR 17 -26.514 -4.823 -17.546 149 HG1 THR 17 HG1 THR 17 -25.563 -7.275 -17.155 150 1HG2 THR 17 2HG2 THR 17 -24.655 -6.048 -19.509 151 2HG2 THR 17 1HG2 THR 17 -26.037 -7.036 -19.030 152 3HG2 THR 17 3HG2 THR 17 -26.296 -5.441 -19.738 153 H LYS 18 H LYS 18 -25.171 -2.664 -15.977 154 HA LYS 18 HA LYS 18 -26.142 -0.821 -18.033 155 1HB LYS 18 2HB LYS 18 -25.871 -0.509 -15.027 156 2HB LYS 18 1HB LYS 18 -26.671 0.648 -16.093 157 1HG LYS 18 2HG LYS 18 -28.063 -1.426 -16.876 158 2HG LYS 18 1HG LYS 18 -27.522 -2.143 -15.358 159 1HD LYS 18 2HD LYS 18 -28.303 0.279 -14.450 160 2HD LYS 18 1HD LYS 18 -29.399 0.114 -15.822 161 1HE LYS 18 2HE LYS 18 -29.492 -2.395 -14.652 162 2HE LYS 18 1HE LYS 18 -29.395 -1.312 -13.263 163 1HZ LYS 18 3HZ LYS 18 -31.290 -0.905 -15.505 164 2HZ LYS 18 2HZ LYS 18 -31.688 -1.776 -14.101 165 3HZ LYS 18 1HZ LYS 18 -31.286 -0.129 -13.997 166 H THR 19 H THR 19 -23.378 -1.053 -15.837 167 HA THR 19 HA THR 19 -22.295 1.548 -16.479 168 HB THR 19 HB THR 19 -20.848 -0.923 -15.473 169 HG1 THR 19 HG1 THR 19 -22.652 -0.176 -14.196 170 1HG2 THR 19 3HG2 THR 19 -20.046 1.840 -16.042 171 2HG2 THR 19 2HG2 THR 19 -19.656 1.326 -14.401 172 3HG2 THR 19 1HG2 THR 19 -19.047 0.411 -15.780 173 H ALA 20 H ALA 20 -22.102 -1.627 -17.944 174 HA ALA 20 HA ALA 20 -19.910 -0.841 -19.742 175 1HB ALA 20 1HB ALA 20 -21.064 -3.293 -18.869 176 2HB ALA 20 3HB ALA 20 -21.274 -3.211 -20.619 177 3HB ALA 20 2HB ALA 20 -19.663 -3.071 -19.917 178 H LYS 21 H LYS 21 -23.417 -1.066 -19.796 179 HA LYS 21 HA LYS 21 -23.652 -0.796 -22.679 180 1HB LYS 21 2HB LYS 21 -25.452 -1.758 -21.225 181 2HB LYS 21 1HB LYS 21 -25.703 -0.154 -20.537 182 1HG LYS 21 2HG LYS 21 -26.468 0.736 -22.594 183 2HG LYS 21 1HG LYS 21 -25.825 -0.624 -23.517 184 1HD LYS 21 2HD LYS 21 -27.709 -1.485 -21.457 185 2HD LYS 21 1HD LYS 21 -28.443 -0.365 -22.605 186 1HE LYS 21 2HE LYS 21 -28.404 -1.891 -24.272 187 2HE LYS 21 1HE LYS 21 -26.740 -2.351 -23.914 188 1HZ LYS 21 3HZ LYS 21 -29.133 -3.257 -22.407 189 2HZ LYS 21 2HZ LYS 21 -28.287 -4.180 -23.556 190 3HZ LYS 21 1HZ LYS 21 -27.530 -3.724 -22.105 191 H ASP 22 H ASP 22 -23.417 1.410 -19.959 192 HA ASP 22 HA ASP 22 -24.138 3.752 -21.563 193 1HB ASP 22 2HB ASP 22 -23.189 3.288 -18.753 194 2HB ASP 22 1HB ASP 22 -23.086 4.909 -19.442 195 H LEU 23 H LEU 23 -21.175 2.279 -20.291 196 HA LEU 23 HA LEU 23 -19.464 4.346 -21.435 197 1HB LEU 23 2HB LEU 23 -18.990 1.695 -20.088 198 2HB LEU 23 1HB LEU 23 -17.669 2.531 -20.905 199 HG LEU 23 HG LEU 23 -19.271 4.284 -19.176 200 1HD1 LEU 23 1HD1 LEU 23 -18.480 1.696 -18.175 201 2HD1 LEU 23 3HD1 LEU 23 -17.549 2.956 -17.363 202 3HD1 LEU 23 2HD1 LEU 23 -19.312 3.000 -17.326 203 1HD2 LEU 23 1HD2 LEU 23 -16.367 3.671 -19.709 204 2HD2 LEU 23 3HD2 LEU 23 -17.250 5.170 -20.000 205 3HD2 LEU 23 2HD2 LEU 23 -16.832 4.698 -18.353 206 H GLY 24 H GLY 24 -21.105 1.650 -22.691 207 1HA GLY 24 2HA GLY 24 -21.117 0.850 -24.912 208 2HA GLY 24 1HA GLY 24 -19.834 2.001 -25.289 209 H VAL 25 H VAL 25 -18.949 0.294 -22.555 210 HA VAL 25 HA VAL 25 -17.077 -1.351 -24.154 211 HB VAL 25 HB VAL 25 -16.183 -1.881 -21.772 212 1HG1 VAL 25 1HG1 VAL 25 -16.131 0.945 -22.877 213 2HG1 VAL 25 3HG1 VAL 25 -14.979 0.288 -21.714 214 3HG1 VAL 25 2HG1 VAL 25 -15.055 -0.372 -23.348 215 1HG2 VAL 25 2HG2 VAL 25 -18.498 -0.700 -20.967 216 2HG2 VAL 25 1HG2 VAL 25 -17.043 -0.755 -19.972 217 3HG2 VAL 25 3HG2 VAL 25 -17.408 0.685 -20.922 218 OH TYR 26 OH TYR 26 -14.073 -3.987 -27.168 219 H TYR 26 H TYR 26 -16.643 -3.571 -22.700 220 HA TYR 26 HA TYR 26 -19.272 -4.958 -22.852 221 1HB TYR 26 2HB TYR 26 -16.862 -6.591 -22.368 222 2HB TYR 26 1HB TYR 26 -18.146 -6.810 -23.554 223 HD1 TYR 26 HD1 TYR 26 -18.156 -4.497 -25.208 224 HD2 TYR 26 HD2 TYR 26 -14.785 -6.455 -23.405 225 HE1 TYR 26 HE1 TYR 26 -16.676 -3.577 -26.974 226 HE2 TYR 26 HE2 TYR 26 -13.306 -5.535 -25.170 227 HH TYR 26 HH TYR 26 -14.527 -4.070 -28.009 228 H GLN 27 H GLN 27 -19.796 -6.537 -21.134 229 HA GLN 27 HA GLN 27 -19.362 -5.429 -18.499 230 1HB GLN 27 2HB GLN 27 -20.567 -8.050 -19.428 231 2HB GLN 27 1HB GLN 27 -20.532 -7.540 -17.740 232 1HG GLN 27 2HG GLN 27 -22.436 -6.400 -18.120 233 2HG GLN 27 1HG GLN 27 -21.511 -5.321 -19.165 234 1HE2 GLN 27 2HE2 GLN 27 -23.316 -8.489 -21.077 235 2HE2 GLN 27 1HE2 GLN 27 -22.546 -8.755 -19.588 236 H SER 28 H SER 28 -17.644 -7.686 -20.460 237 HA SER 28 HA SER 28 -16.321 -9.059 -18.247 238 1HB SER 28 2HB SER 28 -16.371 -10.366 -20.192 239 2HB SER 28 1HB SER 28 -15.993 -9.000 -21.237 240 HG SER 28 HG SER 28 -14.270 -10.313 -19.398 241 H ALA 29 H ALA 29 -15.862 -6.113 -20.010 242 HA ALA 29 HA ALA 29 -13.028 -5.857 -19.266 243 1HB ALA 29 2HB ALA 29 -14.050 -4.863 -21.380 244 2HB ALA 29 1HB ALA 29 -14.868 -3.701 -20.337 245 3HB ALA 29 3HB ALA 29 -13.107 -3.739 -20.403 246 H ILE 30 H ILE 30 -16.153 -4.485 -18.336 247 HA ILE 30 HA ILE 30 -15.064 -2.787 -16.261 248 HB ILE 30 HB ILE 30 -17.828 -3.791 -16.951 249 1HG1 ILE 30 2HG1 ILE 30 -16.719 -0.978 -16.761 250 2HG1 ILE 30 1HG1 ILE 30 -16.673 -1.932 -18.244 251 1HG2 ILE 30 2HG2 ILE 30 -16.869 -2.436 -14.461 252 2HG2 ILE 30 1HG2 ILE 30 -18.437 -1.974 -15.124 253 3HG2 ILE 30 3HG2 ILE 30 -18.135 -3.649 -14.660 254 1HD1 ILE 30 3HD1 ILE 30 -19.185 -1.240 -16.692 255 2HD1 ILE 30 2HD1 ILE 30 -18.659 -0.450 -18.178 256 3HD1 ILE 30 1HD1 ILE 30 -19.120 -2.152 -18.201 257 H ASN 31 H ASN 31 -16.147 -6.114 -16.476 258 HA ASN 31 HA ASN 31 -16.302 -6.594 -13.626 259 1HB ASN 31 2HB ASN 31 -17.426 -8.081 -15.228 260 2HB ASN 31 1HB ASN 31 -15.870 -8.514 -15.938 261 1HD2 ASN 31 2HD2 ASN 31 -16.725 -9.925 -12.161 262 2HD2 ASN 31 1HD2 ASN 31 -17.419 -8.461 -12.668 263 H LYS 32 H LYS 32 -13.773 -7.004 -16.092 264 HA LYS 32 HA LYS 32 -11.855 -8.194 -14.292 265 1HB LYS 32 2HB LYS 32 -11.629 -6.817 -16.973 266 2HB LYS 32 1HB LYS 32 -10.207 -7.400 -16.105 267 1HG LYS 32 2HG LYS 32 -10.929 -9.655 -16.207 268 2HG LYS 32 1HG LYS 32 -12.578 -9.194 -16.635 269 1HD LYS 32 2HD LYS 32 -11.886 -9.668 -18.759 270 2HD LYS 32 1HD LYS 32 -11.198 -8.046 -18.682 271 1HE LYS 32 2HE LYS 32 -9.490 -9.620 -19.446 272 2HE LYS 32 1HE LYS 32 -9.066 -9.024 -17.841 273 1HZ LYS 32 1HZ LYS 32 -10.715 -11.418 -17.942 274 2HZ LYS 32 3HZ LYS 32 -9.110 -11.595 -18.461 275 3HZ LYS 32 2HZ LYS 32 -9.436 -11.020 -16.897 276 H ALA 33 H ALA 33 -12.683 -4.889 -15.192 277 HA ALA 33 HA ALA 33 -10.395 -3.620 -14.008 278 1HB ALA 33 1HB ALA 33 -12.653 -2.778 -15.420 279 2HB ALA 33 3HB ALA 33 -12.844 -2.046 -13.827 280 3HB ALA 33 2HB ALA 33 -11.386 -1.737 -14.770 281 H ILE 34 H ILE 34 -13.522 -4.651 -12.738 282 HA ILE 34 HA ILE 34 -13.026 -3.456 -10.108 283 HB ILE 34 HB ILE 34 -15.136 -5.377 -11.134 284 1HG1 ILE 34 2HG1 ILE 34 -15.300 -3.067 -11.978 285 2HG1 ILE 34 1HG1 ILE 34 -16.610 -3.401 -10.845 286 1HG2 ILE 34 1HG2 ILE 34 -14.695 -4.175 -8.393 287 2HG2 ILE 34 3HG2 ILE 34 -16.267 -4.775 -8.922 288 3HG2 ILE 34 2HG2 ILE 34 -14.893 -5.877 -8.811 289 1HD1 ILE 34 3HD1 ILE 34 -15.160 -2.382 -9.031 290 2HD1 ILE 34 2HD1 ILE 34 -14.064 -1.854 -10.307 291 3HD1 ILE 34 1HD1 ILE 34 -15.719 -1.248 -10.259 292 H HIS 35 H HIS 35 -12.516 -6.524 -11.700 293 HA HIS 35 HA HIS 35 -12.109 -8.086 -9.304 294 1HB HIS 35 2HB HIS 35 -11.517 -8.436 -12.228 295 2HB HIS 35 1HB HIS 35 -10.775 -9.534 -11.064 296 HD1 HIS 35 HD1 HIS 35 -12.959 -10.517 -13.066 297 HD2 HIS 35 HD2 HIS 35 -13.733 -9.286 -9.160 298 HE1 HIS 35 HE1 HIS 35 -15.151 -11.595 -12.396 299 H ALA 36 H ALA 36 -10.216 -5.757 -10.986 300 HA ALA 36 HA ALA 36 -7.650 -6.771 -9.960 301 1HB ALA 36 2HB ALA 36 -8.504 -4.423 -11.636 302 2HB ALA 36 1HB ALA 36 -6.904 -4.438 -10.896 303 3HB ALA 36 3HB ALA 36 -7.364 -5.711 -12.028 304 H GLY 37 H GLY 37 -10.189 -4.707 -8.897 305 1HA GLY 37 2HA GLY 37 -10.423 -3.460 -6.921 306 2HA GLY 37 1HA GLY 37 -8.995 -4.306 -6.323 307 NH1 ARG 38 NH1 ARG 38 -2.925 -3.462 -10.902 308 NH2 ARG 38 NH2 ARG 38 -1.793 -1.529 -10.605 309 H ARG 38 H ARG 38 -8.922 -2.444 -9.292 310 HA ARG 38 HA ARG 38 -6.788 -0.763 -8.178 311 1HB ARG 38 2HB ARG 38 -8.054 -1.082 -10.895 312 2HB ARG 38 1HB ARG 38 -6.998 0.289 -10.557 313 1HG ARG 38 2HG ARG 38 -6.137 -2.528 -9.915 314 2HG ARG 38 1HG ARG 38 -5.912 -1.852 -11.529 315 1HD ARG 38 2HD ARG 38 -4.353 -0.299 -10.816 316 2HD ARG 38 1HD ARG 38 -5.026 -0.218 -9.188 317 HE ARG 38 HE ARG 38 -3.789 -2.204 -8.613 318 1HH1 ARG 38 2HH1 ARG 38 -3.715 -4.042 -10.704 319 2HH1 ARG 38 1HH1 ARG 38 -2.213 -3.783 -11.526 320 1HH2 ARG 38 1HH2 ARG 38 -1.715 -0.627 -10.181 321 2HH2 ARG 38 2HH2 ARG 38 -1.079 -1.852 -11.227 322 H LYS 39 H LYS 39 -6.949 1.683 -8.653 323 HA LYS 39 HA LYS 39 -9.460 2.651 -7.465 324 1HB LYS 39 2HB LYS 39 -6.729 3.688 -7.868 325 2HB LYS 39 1HB LYS 39 -7.997 4.896 -8.072 326 1HG LYS 39 2HG LYS 39 -7.255 4.793 -5.722 327 2HG LYS 39 1HG LYS 39 -8.938 4.285 -5.873 328 1HD LYS 39 2HD LYS 39 -7.793 1.889 -6.177 329 2HD LYS 39 1HD LYS 39 -6.518 2.658 -5.231 330 1HE LYS 39 2HE LYS 39 -7.871 1.821 -3.534 331 2HE LYS 39 1HE LYS 39 -8.538 3.444 -3.720 332 1HZ LYS 39 3HZ LYS 39 -9.886 2.007 -5.573 333 2HZ LYS 39 2HZ LYS 39 -9.728 0.893 -4.301 334 3HZ LYS 39 1HZ LYS 39 -10.467 2.399 -4.029 335 H ILE 40 H ILE 40 -10.639 1.870 -9.425 336 HA ILE 40 HA ILE 40 -10.382 3.676 -11.770 337 HB ILE 40 HB ILE 40 -12.230 1.299 -11.365 338 1HG1 ILE 40 2HG1 ILE 40 -9.521 1.519 -12.719 339 2HG1 ILE 40 1HG1 ILE 40 -9.901 0.566 -11.285 340 1HG2 ILE 40 2HG2 ILE 40 -11.575 3.131 -13.659 341 2HG2 ILE 40 1HG2 ILE 40 -12.066 1.469 -13.979 342 3HG2 ILE 40 3HG2 ILE 40 -13.150 2.556 -13.114 343 1HD1 ILE 40 3HD1 ILE 40 -11.520 -0.763 -12.632 344 2HD1 ILE 40 2HD1 ILE 40 -11.045 0.151 -14.063 345 3HD1 ILE 40 1HD1 ILE 40 -9.874 -0.889 -13.251 346 H PHE 41 H PHE 41 -11.349 5.597 -11.280 347 HA PHE 41 HA PHE 41 -13.889 5.590 -9.766 348 1HB PHE 41 2HB PHE 41 -12.418 8.002 -10.837 349 2HB PHE 41 1HB PHE 41 -13.532 7.920 -9.469 350 HD1 PHE 41 HD2 PHE 41 -12.503 5.329 -8.248 351 HD2 PHE 41 HD1 PHE 41 -10.446 8.806 -9.713 352 HE1 PHE 41 HE2 PHE 41 -10.610 4.857 -6.721 353 HE2 PHE 41 HE1 PHE 41 -8.555 8.329 -8.186 354 HZ PHE 41 HZ PHE 41 -8.637 6.355 -6.691 355 H LEU 42 H LEU 42 -15.743 6.855 -10.617 356 HA LEU 42 HA LEU 42 -15.815 6.862 -13.609 357 1HB LEU 42 2HB LEU 42 -17.365 5.299 -11.773 358 2HB LEU 42 1HB LEU 42 -18.438 6.456 -12.562 359 HG LEU 42 HG LEU 42 -17.649 5.719 -14.765 360 1HD1 LEU 42 3HD1 LEU 42 -15.924 3.810 -13.157 361 2HD1 LEU 42 2HD1 LEU 42 -16.138 3.743 -14.906 362 3HD1 LEU 42 1HD1 LEU 42 -15.348 5.136 -14.168 363 1HD2 LEU 42 3HD2 LEU 42 -19.428 4.437 -13.286 364 2HD2 LEU 42 2HD2 LEU 42 -18.882 3.741 -14.812 365 3HD2 LEU 42 1HD2 LEU 42 -18.207 3.164 -13.290 366 H THR 43 H THR 43 -15.999 8.964 -14.219 367 HA THR 43 HA THR 43 -17.469 10.847 -12.449 368 HB THR 43 HB THR 43 -15.551 11.231 -14.759 369 HG1 THR 43 HG1 THR 43 -14.644 12.580 -12.962 370 1HG2 THR 43 1HG2 THR 43 -17.278 13.292 -13.364 371 2HG2 THR 43 3HG2 THR 43 -15.900 13.687 -14.390 372 3HG2 THR 43 2HG2 THR 43 -17.307 12.875 -15.076 373 H ILE 44 H ILE 44 -19.620 10.222 -12.976 374 HA ILE 44 HA ILE 44 -20.474 10.157 -15.779 375 HB ILE 44 HB ILE 44 -22.335 10.249 -13.412 376 1HG1 ILE 44 2HG1 ILE 44 -20.572 7.965 -14.331 377 2HG1 ILE 44 1HG1 ILE 44 -20.709 8.637 -12.707 378 1HG2 ILE 44 3HG2 ILE 44 -23.011 10.189 -15.927 379 2HG2 ILE 44 2HG2 ILE 44 -22.490 8.504 -15.866 380 3HG2 ILE 44 1HG2 ILE 44 -23.799 9.061 -14.823 381 1HD1 ILE 44 2HD1 ILE 44 -22.939 7.216 -14.191 382 2HD1 ILE 44 1HD1 ILE 44 -21.942 6.493 -12.929 383 3HD1 ILE 44 3HD1 ILE 44 -23.019 7.835 -12.542 384 H ASN 45 H ASN 45 -20.577 12.105 -16.805 385 HA ASN 45 HA ASN 45 -20.973 14.613 -15.479 386 1HB ASN 45 2HB ASN 45 -21.564 14.031 -18.389 387 2HB ASN 45 1HB ASN 45 -21.079 15.569 -17.676 388 1HD2 ASN 45 2HD2 ASN 45 -17.922 14.362 -19.023 389 2HD2 ASN 45 1HD2 ASN 45 -19.335 15.157 -19.526 390 H ALA 46 H ALA 46 -22.824 15.808 -15.160 391 HA ALA 46 HA ALA 46 -25.275 14.631 -14.628 392 1HB ALA 46 1HB ALA 46 -24.639 17.434 -15.562 393 2HB ALA 46 3HB ALA 46 -26.255 16.951 -15.048 394 3HB ALA 46 2HB ALA 46 -24.910 16.877 -13.911 395 H ASP 47 H ASP 47 -23.980 15.368 -17.773 396 HA ASP 47 HA ASP 47 -26.604 15.201 -19.089 397 1HB ASP 47 2HB ASP 47 -24.541 16.599 -19.851 398 2HB ASP 47 1HB ASP 47 -23.946 15.072 -20.502 399 H GLY 48 H GLY 48 -25.703 12.882 -17.508 400 1HA GLY 48 2HA GLY 48 -25.657 10.548 -17.713 401 2HA GLY 48 1HA GLY 48 -26.425 10.785 -19.285 402 H SER 49 H SER 49 -23.364 12.305 -18.644 403 HA SER 49 HA SER 49 -22.143 10.645 -20.769 404 1HB SER 49 2HB SER 49 -20.565 12.743 -19.374 405 2HB SER 49 1HB SER 49 -20.678 12.378 -21.093 406 HG SER 49 HG SER 49 -22.753 13.331 -21.073 407 H VAL 50 H VAL 50 -20.066 9.597 -20.423 408 HA VAL 50 HA VAL 50 -19.607 8.901 -17.547 409 HB VAL 50 HB VAL 50 -18.918 7.044 -19.815 410 1HG1 VAL 50 1HG1 VAL 50 -19.238 6.930 -16.844 411 2HG1 VAL 50 3HG1 VAL 50 -19.626 5.482 -17.772 412 3HG1 VAL 50 2HG1 VAL 50 -18.011 6.184 -17.869 413 1HG2 VAL 50 3HG2 VAL 50 -21.598 7.392 -18.442 414 2HG2 VAL 50 2HG2 VAL 50 -21.264 7.483 -20.171 415 3HG2 VAL 50 1HG2 VAL 50 -21.146 5.937 -19.331 416 OH TYR 51 OH TYR 51 -10.041 12.602 -17.930 417 H TYR 51 H TYR 51 -17.572 9.258 -16.812 418 HA TYR 51 HA TYR 51 -15.349 9.460 -18.785 419 1HB TYR 51 2HB TYR 51 -16.107 11.762 -18.304 420 2HB TYR 51 1HB TYR 51 -15.916 11.464 -16.576 421 HD1 TYR 51 HD2 TYR 51 -13.971 11.221 -19.778 422 HD2 TYR 51 HD1 TYR 51 -13.890 12.021 -15.558 423 HE1 TYR 51 HE2 TYR 51 -11.571 11.826 -19.939 424 HE2 TYR 51 HE1 TYR 51 -11.489 12.628 -15.720 425 HH TYR 51 HH TYR 51 -9.974 13.561 -17.915 426 H ALA 52 H ALA 52 -14.907 7.296 -17.870 427 HA ALA 52 HA ALA 52 -14.260 7.072 -15.034 428 1HB ALA 52 2HB ALA 52 -15.040 5.241 -16.806 429 2HB ALA 52 1HB ALA 52 -13.299 5.066 -17.031 430 3HB ALA 52 3HB ALA 52 -14.013 4.810 -15.439 431 H GLU 53 H GLU 53 -12.228 7.072 -14.109 432 HA GLU 53 HA GLU 53 -9.892 7.517 -15.914 433 1HB GLU 53 2HB GLU 53 -10.876 9.225 -13.654 434 2HB GLU 53 1HB GLU 53 -9.138 9.093 -13.924 435 1HG GLU 53 2HG GLU 53 -10.659 9.519 -16.397 436 2HG GLU 53 1HG GLU 53 -10.825 10.842 -15.242 437 H GLU 54 H GLU 54 -7.855 6.910 -14.931 438 HA GLU 54 HA GLU 54 -8.216 4.939 -12.714 439 1HB GLU 54 2HB GLU 54 -7.417 4.016 -14.902 440 2HB GLU 54 1HB GLU 54 -5.996 5.053 -14.776 441 1HG GLU 54 2HG GLU 54 -5.273 2.987 -13.884 442 2HG GLU 54 1HG GLU 54 -5.642 3.961 -12.461 443 H VAL 55 H VAL 55 -7.277 5.473 -10.818 444 HA VAL 55 HA VAL 55 -4.827 7.135 -10.812 445 HB VAL 55 HB VAL 55 -6.561 8.072 -8.703 446 1HG1 VAL 55 2HG1 VAL 55 -4.842 9.095 -10.863 447 2HG1 VAL 55 1HG1 VAL 55 -6.181 10.164 -10.446 448 3HG1 VAL 55 3HG1 VAL 55 -5.029 9.670 -9.206 449 1HG2 VAL 55 3HG2 VAL 55 -8.306 7.362 -10.463 450 2HG2 VAL 55 2HG2 VAL 55 -8.378 9.033 -9.904 451 3HG2 VAL 55 1HG2 VAL 55 -7.649 8.656 -11.464 452 H LYS 56 H LYS 56 -3.703 5.381 -9.987 453 HA LYS 56 HA LYS 56 -4.432 4.617 -7.200 454 1HB LYS 56 2HB LYS 56 -5.203 2.756 -8.455 455 2HB LYS 56 1HB LYS 56 -3.817 2.808 -9.538 456 1HG LYS 56 2HG LYS 56 -3.211 1.037 -8.166 457 2HG LYS 56 1HG LYS 56 -2.466 2.367 -7.285 458 1HD LYS 56 2HD LYS 56 -4.640 2.542 -5.964 459 2HD LYS 56 1HD LYS 56 -5.099 1.004 -6.696 460 1HE LYS 56 2HE LYS 56 -2.427 0.735 -5.741 461 2HE LYS 56 1HE LYS 56 -3.387 1.449 -4.445 462 1HZ LYS 56 1HZ LYS 56 -5.039 -0.445 -5.382 463 2HZ LYS 56 3HZ LYS 56 -3.533 -1.190 -5.613 464 3HZ LYS 56 2HZ LYS 56 -3.988 -0.658 -4.065 465 HA PRO 57 HA PRO 57 -0.130 5.677 -6.783 466 1HB PRO 57 2HB PRO 57 0.003 5.209 -4.076 467 2HB PRO 57 1HB PRO 57 -0.699 6.674 -4.783 468 1HG PRO 57 2HG PRO 57 -2.082 4.337 -3.550 469 2HG PRO 57 1HG PRO 57 -2.622 6.018 -3.681 470 1HD PRO 57 2HD PRO 57 -3.483 3.871 -5.311 471 2HD PRO 57 1HD PRO 57 -3.748 5.598 -5.633 472 H PHE 58 H PHE 58 1.877 4.537 -5.982 473 HA PHE 58 HA PHE 58 1.567 1.637 -5.487 474 1HB PHE 58 2HB PHE 58 1.662 1.922 -7.971 475 2HB PHE 58 1HB PHE 58 3.232 2.700 -7.785 476 HD1 PHE 58 HD1 PHE 58 5.154 1.415 -6.809 477 HD2 PHE 58 HD2 PHE 58 1.430 -0.458 -7.849 478 HE1 PHE 58 HE1 PHE 58 6.256 -0.805 -6.758 479 HE2 PHE 58 HE2 PHE 58 2.533 -2.679 -7.798 480 HZ PHE 58 HZ PHE 58 4.947 -2.853 -7.253 481 HA PRO 59 HA PRO 59 2.648 0.043 -5.154 482 1HB PRO 59 2HB PRO 59 3.513 -1.244 -2.888 483 2HB PRO 59 1HB PRO 59 4.434 -1.208 -4.402 484 1HG PRO 59 2HG PRO 59 4.948 0.256 -1.867 485 2HG PRO 59 1HG PRO 59 6.079 -0.186 -3.156 486 1HD PRO 59 2HD PRO 59 4.920 2.380 -2.721 487 2HD PRO 59 1HD PRO 59 5.872 1.870 -4.132 488 H SER 60 H SER 60 1.334 -1.306 -3.256 489 HA SER 60 HA SER 60 -0.516 0.685 -2.142 490 1HB SER 60 2HB SER 60 -0.611 -2.123 -2.844 491 2HB SER 60 1HB SER 60 -1.227 -1.877 -1.211 492 HG SER 60 HG SER 60 -2.918 -1.536 -2.595 493 H ASN 61 H ASN 61 2.378 -0.442 -1.109 494 HA ASN 61 HA ASN 61 1.543 -0.313 1.761 495 1HB ASN 61 2HB ASN 61 2.847 -2.419 0.466 496 2HB ASN 61 1HB ASN 61 4.136 -1.563 1.315 497 1HD2 ASN 61 2HD2 ASN 61 2.638 -2.144 4.574 498 2HD2 ASN 61 1HD2 ASN 61 3.464 -0.941 3.708 499 H LYS 62 H LYS 62 1.857 2.064 1.395 500 HA LYS 62 HA LYS 62 4.535 2.851 2.224 501 1HB LYS 62 2HB LYS 62 4.056 2.744 -0.548 502 2HB LYS 62 1HB LYS 62 3.931 4.450 -0.121 503 1HG LYS 62 2HG LYS 62 6.235 2.648 0.678 504 2HG LYS 62 1HG LYS 62 6.267 3.767 -0.686 505 1HD LYS 62 2HD LYS 62 6.151 5.663 0.709 506 2HD LYS 62 1HD LYS 62 5.562 4.726 2.083 507 1HE LYS 62 2HE LYS 62 8.031 3.565 1.386 508 2HE LYS 62 1HE LYS 62 8.292 5.308 1.314 509 1HZ LYS 62 1HZ LYS 62 6.741 4.745 3.571 510 2HZ LYS 62 3HZ LYS 62 8.063 3.681 3.580 511 3HZ LYS 62 2HZ LYS 62 8.325 5.358 3.510 512 H LYS 63 H LYS 63 2.704 3.391 3.866 513 HA LYS 63 HA LYS 63 0.880 5.534 3.317 514 1HB LYS 63 2HB LYS 63 1.137 3.841 5.385 515 2HB LYS 63 1HB LYS 63 1.982 5.230 6.072 516 1HG LYS 63 2HG LYS 63 -0.852 5.155 5.005 517 2HG LYS 63 1HG LYS 63 -0.343 5.448 6.668 518 1HD LYS 63 2HD LYS 63 0.948 7.469 5.748 519 2HD LYS 63 1HD LYS 63 0.017 7.246 4.267 520 1HE LYS 63 2HE LYS 63 -1.668 8.402 5.207 521 2HE LYS 63 1HE LYS 63 -1.845 7.105 6.389 522 1HZ LYS 63 2HZ LYS 63 0.334 8.524 7.234 523 2HZ LYS 63 1HZ LYS 63 -0.759 9.720 6.725 524 3HZ LYS 63 3HZ LYS 63 -1.228 8.590 7.899 525 H THR 64 H THR 64 1.762 7.395 2.463 526 HA THR 64 HA THR 64 3.897 8.712 4.093 527 HB THR 64 HB THR 64 4.373 9.843 1.737 528 HG1 THR 64 HG1 THR 64 4.104 8.111 0.149 529 1HG2 THR 64 3HG2 THR 64 5.449 7.629 3.205 530 2HG2 THR 64 2HG2 THR 64 5.587 7.283 1.481 531 3HG2 THR 64 1HG2 THR 64 6.294 8.756 2.145 532 H THR 65 H THR 65 3.890 11.204 3.039 533 HA THR 65 HA THR 65 1.177 12.166 3.750 534 HB THR 65 HB THR 65 2.746 14.403 3.335 535 HG1 THR 65 HG1 THR 65 4.574 13.110 3.036 536 1HG2 THR 65 2HG2 THR 65 1.918 12.752 5.670 537 2HG2 THR 65 1HG2 THR 65 3.149 13.983 5.958 538 3HG2 THR 65 3HG2 THR 65 1.575 14.444 5.310 539 H ALA 66 HN ALA 66 -0.094 12.027 1.912 540 HA ALA 66 HA ALA 66 0.980 12.794 -0.711 541 1HB ALA 66 3HB ALA 66 -1.040 11.102 0.097 542 2HB ALA 66 2HB ALA 66 -1.940 12.517 -0.452 543 3HB ALA 66 1HB ALA 66 -0.827 11.700 -1.549 544 1H MET 1 3H MET 1 17.264 16.367 -8.908 545 2H MET 1 2H MET 1 16.951 17.139 -10.389 546 3H MET 1 1H MET 1 17.995 17.857 -9.258 547 HA MET 1 HA MET 1 16.270 18.402 -7.803 548 1HB MET 1 2HB MET 1 16.381 19.488 -10.254 549 2HB MET 1 1HB MET 1 14.767 18.781 -10.352 550 1HG MET 1 2HG MET 1 13.944 20.459 -9.105 551 2HG MET 1 1HG MET 1 15.042 20.030 -7.793 552 1HE MET 1 1HE MET 1 15.793 22.016 -6.774 553 2HE MET 1 3HE MET 1 16.087 23.573 -7.563 554 3HE MET 1 2HE MET 1 14.476 22.858 -7.587 555 H GLU 2 H GLU 2 15.476 15.850 -10.034 556 HA GLU 2 HA GLU 2 13.765 14.472 -8.277 557 1HB GLU 2 2HB GLU 2 12.489 16.772 -9.201 558 2HB GLU 2 1HB GLU 2 11.858 15.494 -10.241 559 1HG GLU 2 2HG GLU 2 10.716 14.508 -8.543 560 2HG GLU 2 1HG GLU 2 12.032 14.754 -7.394 561 H GLN 3 H GLN 3 14.478 12.558 -9.159 562 HA GLN 3 HA GLN 3 14.831 12.192 -12.011 563 1HB GLN 3 2HB GLN 3 15.485 10.763 -9.630 564 2HB GLN 3 1HB GLN 3 14.570 9.675 -10.673 565 1HG GLN 3 2HG GLN 3 16.638 9.338 -11.611 566 2HG GLN 3 1HG GLN 3 16.192 10.781 -12.521 567 1HE2 GLN 3 2HE2 GLN 3 18.671 11.400 -9.288 568 2HE2 GLN 3 1HE2 GLN 3 17.399 10.285 -9.149 569 NH1 ARG 4 NH1 ARG 4 7.160 15.233 -12.219 570 NH2 ARG 4 NH2 ARG 4 6.907 14.342 -10.157 571 H ARG 4 H ARG 4 13.091 12.122 -13.339 572 HA ARG 4 HA ARG 4 10.637 10.719 -12.365 573 1HB ARG 4 2HB ARG 4 10.857 12.624 -14.714 574 2HB ARG 4 1HB ARG 4 9.381 12.038 -13.947 575 1HG ARG 4 2HG ARG 4 11.468 13.627 -12.440 576 2HG ARG 4 1HG ARG 4 10.121 14.394 -13.285 577 1HD ARG 4 2HD ARG 4 8.737 12.544 -11.921 578 2HD ARG 4 1HD ARG 4 10.104 12.715 -10.821 579 HE ARG 4 HE ARG 4 9.552 15.152 -10.700 580 1HH1 ARG 4 2HH1 ARG 4 7.749 15.492 -12.985 581 2HH1 ARG 4 1HH1 ARG 4 6.174 15.396 -12.269 582 1HH2 ARG 4 1HH2 ARG 4 7.304 13.920 -9.342 583 2HH2 ARG 4 2HH2 ARG 4 5.921 14.505 -10.207 584 H ILE 5 H ILE 5 10.702 8.630 -13.083 585 HA ILE 5 HA ILE 5 11.243 8.185 -15.973 586 HB ILE 5 HB ILE 5 12.340 6.287 -13.906 587 1HG1 ILE 5 2HG1 ILE 5 14.561 7.597 -14.599 588 2HG1 ILE 5 1HG1 ILE 5 13.423 8.933 -14.786 589 1HG2 ILE 5 1HG2 ILE 5 12.532 6.744 -16.836 590 2HG2 ILE 5 3HG2 ILE 5 14.014 6.235 -16.026 591 3HG2 ILE 5 2HG2 ILE 5 12.567 5.232 -15.928 592 1HD1 ILE 5 1HD1 ILE 5 13.182 7.292 -12.312 593 2HD1 ILE 5 3HD1 ILE 5 14.576 8.365 -12.428 594 3HD1 ILE 5 2HD1 ILE 5 12.943 9.024 -12.539 595 H THR 6 H THR 6 10.186 6.270 -16.788 596 HA THR 6 HA THR 6 7.721 5.646 -15.361 597 HB THR 6 HB THR 6 8.788 4.273 -17.837 598 HG1 THR 6 HG1 THR 6 7.191 6.057 -18.648 599 1HG2 THR 6 3HG2 THR 6 6.021 4.777 -16.713 600 2HG2 THR 6 2HG2 THR 6 6.329 4.102 -18.314 601 3HG2 THR 6 1HG2 THR 6 6.831 3.218 -16.872 602 H LEU 7 H LEU 7 7.120 3.554 -14.587 603 HA LEU 7 HA LEU 7 9.039 2.136 -13.097 604 1HB LEU 7 2HB LEU 7 6.646 1.903 -12.659 605 2HB LEU 7 1HB LEU 7 6.404 1.159 -14.240 606 HG LEU 7 HG LEU 7 7.901 -0.702 -13.579 607 1HD1 LEU 7 3HD1 LEU 7 8.574 1.126 -11.488 608 2HD1 LEU 7 2HD1 LEU 7 7.894 -0.322 -10.747 609 3HD1 LEU 7 1HD1 LEU 7 9.285 -0.451 -11.824 610 1HD2 LEU 7 3HD2 LEU 7 5.578 -0.089 -11.731 611 2HD2 LEU 7 2HD2 LEU 7 5.531 -1.027 -13.224 612 3HD2 LEU 7 1HD2 LEU 7 6.372 -1.661 -11.808 613 H LYS 8 H LYS 8 8.352 2.007 -16.474 614 HA LYS 8 HA LYS 8 9.542 -0.650 -16.848 615 1HB LYS 8 2HB LYS 8 8.982 -0.399 -19.136 616 2HB LYS 8 1HB LYS 8 7.673 0.407 -18.271 617 1HG LYS 8 2HG LYS 8 8.876 2.579 -18.576 618 2HG LYS 8 1HG LYS 8 10.072 1.740 -19.562 619 1HD LYS 8 2HD LYS 8 7.107 1.686 -20.170 620 2HD LYS 8 1HD LYS 8 8.207 2.878 -20.864 621 1HE LYS 8 2HE LYS 8 9.633 0.805 -21.556 622 2HE LYS 8 1HE LYS 8 8.143 -0.101 -21.293 623 1HZ LYS 8 1HZ LYS 8 7.579 2.231 -22.767 624 2HZ LYS 8 3HZ LYS 8 8.848 1.398 -23.523 625 3HZ LYS 8 2HZ LYS 8 7.374 0.607 -23.225 626 H ASP 9 H ASP 9 10.494 2.730 -17.262 627 HA ASP 9 HA ASP 9 13.033 2.078 -18.526 628 1HB ASP 9 2HB ASP 9 11.720 4.545 -17.466 629 2HB ASP 9 1HB ASP 9 13.475 4.561 -17.650 630 OH TYR 10 OH TYR 10 16.079 2.327 -8.182 631 H TYR 10 H TYR 10 11.877 2.379 -15.250 632 HA TYR 10 HA TYR 10 14.576 2.573 -14.113 633 1HB TYR 10 2HB TYR 10 12.549 3.603 -13.032 634 2HB TYR 10 1HB TYR 10 11.957 1.974 -12.707 635 HD1 TYR 10 HD1 TYR 10 15.438 3.333 -12.580 636 HD2 TYR 10 HD2 TYR 10 12.141 1.680 -10.380 637 HE1 TYR 10 HE1 TYR 10 16.851 3.221 -10.546 638 HE2 TYR 10 HE2 TYR 10 13.554 1.570 -8.345 639 HH TYR 10 HH TYR 10 16.538 3.165 -8.094 640 H ALA 11 H ALA 11 12.158 0.083 -14.718 641 HA ALA 11 HA ALA 11 13.693 -1.946 -13.245 642 1HB ALA 11 1HB ALA 11 11.108 -1.842 -13.566 643 2HB ALA 11 3HB ALA 11 11.437 -2.540 -15.151 644 3HB ALA 11 2HB ALA 11 11.905 -3.410 -13.690 645 H MET 12 H MET 12 13.494 -0.705 -16.477 646 HA MET 12 HA MET 12 14.803 -3.082 -17.635 647 1HB MET 12 2HB MET 12 13.796 -0.472 -18.766 648 2HB MET 12 1HB MET 12 14.788 -1.571 -19.726 649 1HG MET 12 2HG MET 12 12.634 -2.970 -18.339 650 2HG MET 12 1HG MET 12 12.024 -1.716 -19.419 651 1HE MET 12 2HE MET 12 11.994 -1.604 -21.620 652 2HE MET 12 1HE MET 12 12.260 -2.912 -22.771 653 3HE MET 12 3HE MET 12 11.008 -3.061 -21.530 654 NH1 ARG 13 NH1 ARG 13 17.222 6.257 -19.062 655 NH2 ARG 13 NH2 ARG 13 18.496 6.190 -20.929 656 H ARG 13 H ARG 13 15.560 0.301 -16.891 657 HA ARG 13 HA ARG 13 18.314 -0.007 -17.865 658 1HB ARG 13 2HB ARG 13 16.779 2.237 -16.550 659 2HB ARG 13 1HB ARG 13 18.523 2.338 -16.799 660 1HG ARG 13 2HG ARG 13 17.579 1.444 -19.254 661 2HG ARG 13 1HG ARG 13 16.353 2.606 -18.745 662 1HD ARG 13 2HD ARG 13 18.494 4.053 -18.106 663 2HD ARG 13 1HD ARG 13 19.250 3.046 -19.341 664 HE ARG 13 HE ARG 13 17.178 3.847 -20.765 665 1HH1 ARG 13 2HH1 ARG 13 16.688 5.786 -18.360 666 2HH1 ARG 13 1HH1 ARG 13 17.313 7.253 -19.037 667 1HH2 ARG 13 1HH2 ARG 13 18.938 5.666 -21.656 668 2HH2 ARG 13 2HH2 ARG 13 18.587 7.185 -20.904 669 H PHE 14 H PHE 14 16.596 -0.366 -14.863 670 HA PHE 14 HA PHE 14 19.228 -0.671 -13.469 671 1HB PHE 14 2HB PHE 14 16.603 0.017 -12.127 672 2HB PHE 14 1HB PHE 14 18.225 0.113 -11.442 673 HD1 PHE 14 HD2 PHE 14 16.250 1.424 -14.354 674 HD2 PHE 14 HD1 PHE 14 19.312 2.178 -11.436 675 HE1 PHE 14 HE2 PHE 14 16.464 3.753 -15.178 676 HE2 PHE 14 HE1 PHE 14 19.524 4.508 -12.260 677 HZ PHE 14 HZ PHE 14 18.100 5.294 -14.132 678 H GLY 15 H GLY 15 16.881 -2.447 -14.824 679 1HA GLY 15 2HA GLY 15 16.438 -4.757 -14.585 680 2HA GLY 15 1HA GLY 15 17.468 -4.766 -13.152 681 H GLN 16 H GLN 16 14.785 -5.961 -13.497 682 HA GLN 16 HA GLN 16 12.882 -4.318 -12.048 683 1HB GLN 16 2HB GLN 16 12.706 -7.317 -12.149 684 2HB GLN 16 1HB GLN 16 11.413 -6.122 -12.261 685 1HG GLN 16 2HG GLN 16 12.503 -5.391 -14.472 686 2HG GLN 16 1HG GLN 16 13.426 -6.891 -14.378 687 1HE2 GLN 16 2HE2 GLN 16 10.374 -8.921 -14.638 688 2HE2 GLN 16 1HE2 GLN 16 11.766 -8.846 -13.670 689 H THR 17 H THR 17 15.372 -6.614 -11.167 690 HA THR 17 HA THR 17 14.490 -7.223 -8.520 691 HB THR 17 HB THR 17 17.291 -7.043 -9.669 692 HG1 THR 17 HG1 THR 17 17.023 -9.154 -10.068 693 1HG2 THR 17 2HG2 THR 17 16.251 -7.754 -6.969 694 2HG2 THR 17 1HG2 THR 17 17.538 -8.763 -7.628 695 3HG2 THR 17 3HG2 THR 17 17.793 -7.029 -7.425 696 H LYS 18 H LYS 18 16.512 -4.577 -9.780 697 HA LYS 18 HA LYS 18 17.005 -3.426 -7.175 698 1HB LYS 18 2HB LYS 18 17.280 -2.416 -10.004 699 2HB LYS 18 1HB LYS 18 17.585 -1.364 -8.621 700 1HG LYS 18 2HG LYS 18 19.226 -3.032 -7.757 701 2HG LYS 18 1HG LYS 18 18.974 -3.993 -9.215 702 1HD LYS 18 2HD LYS 18 19.468 -1.356 -10.098 703 2HD LYS 18 1HD LYS 18 20.666 -1.684 -8.844 704 1HE LYS 18 2HE LYS 18 20.552 -4.048 -10.339 705 2HE LYS 18 1HE LYS 18 20.493 -2.760 -11.542 706 1HZ LYS 18 2HZ LYS 18 22.387 -2.213 -9.480 707 2HZ LYS 18 1HZ LYS 18 22.726 -3.680 -10.264 708 3HZ LYS 18 3HZ LYS 18 22.605 -2.248 -11.165 709 H THR 19 H THR 19 14.698 -2.699 -9.786 710 HA THR 19 HA THR 19 13.454 -0.469 -8.504 711 HB THR 19 HB THR 19 12.111 -2.462 -10.353 712 HG1 THR 19 HG1 THR 19 14.036 -0.500 -10.762 713 1HG2 THR 19 2HG2 THR 19 11.382 0.108 -9.164 714 2HG2 THR 19 1HG2 THR 19 11.262 0.118 -10.925 715 3HG2 THR 19 3HG2 THR 19 10.366 -1.075 -9.987 716 H ALA 20 H ALA 20 13.188 -3.906 -7.999 717 HA ALA 20 HA ALA 20 10.699 -3.662 -6.444 718 1HB ALA 20 1HB ALA 20 12.084 -5.772 -7.752 719 2HB ALA 20 3HB ALA 20 12.043 -6.171 -6.034 720 3HB ALA 20 2HB ALA 20 10.540 -5.860 -6.903 721 H LYS 21 H LYS 21 14.152 -3.763 -5.889 722 HA LYS 21 HA LYS 21 13.968 -4.377 -3.058 723 1HB LYS 21 2HB LYS 21 16.026 -4.292 -4.879 724 2HB LYS 21 1HB LYS 21 16.306 -2.820 -3.947 725 1HG LYS 21 2HG LYS 21 15.922 -5.589 -2.767 726 2HG LYS 21 1HG LYS 21 17.472 -4.765 -2.946 727 1HD LYS 21 2HD LYS 21 16.444 -2.857 -1.576 728 2HD LYS 21 1HD LYS 21 15.145 -3.983 -1.184 729 1HE LYS 21 2HE LYS 21 16.565 -4.441 0.576 730 2HE LYS 21 1HE LYS 21 17.210 -5.578 -0.608 731 1HZ LYS 21 1HZ LYS 21 18.230 -2.817 -0.474 732 2HZ LYS 21 3HZ LYS 21 18.816 -4.000 0.592 733 3HZ LYS 21 2HZ LYS 21 18.988 -4.209 -1.086 734 H ASP 22 H ASP 22 14.093 -1.424 -4.988 735 HA ASP 22 HA ASP 22 14.238 0.318 -2.653 736 1HB ASP 22 2HB ASP 22 14.065 2.128 -4.208 737 2HB ASP 22 1HB ASP 22 15.048 0.898 -5.004 738 H LEU 23 H LEU 23 11.714 -0.640 -4.960 739 HA LEU 23 HA LEU 23 9.647 0.809 -3.482 740 1HB LEU 23 2HB LEU 23 9.613 -1.101 -5.824 741 2HB LEU 23 1HB LEU 23 8.123 -0.517 -5.080 742 HG LEU 23 HG LEU 23 10.033 1.638 -5.587 743 1HD1 LEU 23 2HD1 LEU 23 9.802 -0.358 -7.613 744 2HD1 LEU 23 1HD1 LEU 23 8.911 1.065 -8.156 745 3HD1 LEU 23 3HD1 LEU 23 10.612 1.206 -7.715 746 1HD2 LEU 23 3HD2 LEU 23 7.159 1.051 -5.718 747 2HD2 LEU 23 2HD2 LEU 23 7.978 2.567 -5.341 748 3HD2 LEU 23 1HD2 LEU 23 7.711 2.102 -7.022 749 H GLY 24 H GLY 24 11.226 -2.171 -3.127 750 1HA GLY 24 2HA GLY 24 10.849 -3.972 -1.678 751 2HA GLY 24 1HA GLY 24 9.741 -2.908 -0.815 752 H VAL 25 H VAL 25 9.438 -3.954 -4.198 753 HA VAL 25 HA VAL 25 6.868 -5.266 -3.409 754 HB VAL 25 HB VAL 25 6.576 -5.009 -6.064 755 1HG1 VAL 25 3HG1 VAL 25 5.872 -3.401 -3.717 756 2HG1 VAL 25 2HG1 VAL 25 5.850 -2.475 -5.218 757 3HG1 VAL 25 1HG1 VAL 25 4.861 -3.926 -5.062 758 1HG2 VAL 25 3HG2 VAL 25 8.429 -2.754 -5.237 759 2HG2 VAL 25 2HG2 VAL 25 8.761 -3.993 -6.448 760 3HG2 VAL 25 1HG2 VAL 25 7.506 -2.788 -6.739 761 OH TYR 26 OH TYR 26 2.592 -7.544 -2.266 762 H TYR 26 H TYR 26 6.387 -6.846 -5.567 763 HA TYR 26 HA TYR 26 8.609 -8.821 -5.375 764 1HB TYR 26 2HB TYR 26 6.176 -9.717 -6.743 765 2HB TYR 26 1HB TYR 26 7.021 -10.439 -5.375 766 HD1 TYR 26 HD1 TYR 26 6.825 -9.010 -3.110 767 HD2 TYR 26 HD2 TYR 26 4.038 -8.880 -6.376 768 HE1 TYR 26 HE1 TYR 26 5.073 -8.146 -1.580 769 HE2 TYR 26 HE2 TYR 26 2.287 -8.017 -4.847 770 HH TYR 26 HH TYR 26 2.267 -6.716 -2.626 771 H GLN 27 H GLN 27 9.398 -9.849 -7.313 772 HA GLN 27 HA GLN 27 9.701 -8.074 -9.550 773 1HB GLN 27 2HB GLN 27 10.162 -11.070 -9.524 774 2HB GLN 27 1HB GLN 27 10.906 -9.887 -10.602 775 1HG GLN 27 2HG GLN 27 12.603 -9.912 -9.085 776 2HG GLN 27 1HG GLN 27 11.547 -8.846 -8.156 777 1HE2 GLN 27 2HE2 GLN 27 11.369 -11.166 -5.528 778 2HE2 GLN 27 1HE2 GLN 27 11.404 -9.544 -6.026 779 H SER 28 H SER 28 7.239 -10.316 -8.690 780 HA SER 28 HA SER 28 6.305 -10.768 -11.431 781 1HB SER 28 2HB SER 28 5.788 -11.893 -8.858 782 2HB SER 28 1HB SER 28 4.258 -11.304 -9.504 783 HG SER 28 HG SER 28 5.237 -12.403 -11.536 784 H ALA 29 H ALA 29 5.857 -8.390 -8.959 785 HA ALA 29 HA ALA 29 3.325 -7.396 -10.094 786 1HB ALA 29 1HB ALA 29 4.175 -7.300 -7.585 787 2HB ALA 29 3HB ALA 29 4.985 -5.836 -8.139 788 3HB ALA 29 2HB ALA 29 3.231 -5.968 -8.252 789 H ILE 30 H ILE 30 6.752 -6.730 -10.192 790 HA ILE 30 HA ILE 30 6.455 -4.172 -11.571 791 HB ILE 30 HB ILE 30 8.806 -5.993 -11.006 792 1HG1 ILE 30 2HG1 ILE 30 8.316 -3.158 -10.082 793 2HG1 ILE 30 1HG1 ILE 30 7.671 -4.543 -9.200 794 1HG2 ILE 30 2HG2 ILE 30 8.529 -3.747 -12.894 795 2HG2 ILE 30 1HG2 ILE 30 9.886 -3.600 -11.777 796 3HG2 ILE 30 3HG2 ILE 30 9.753 -5.015 -12.822 797 1HD1 ILE 30 3HD1 ILE 30 10.584 -4.443 -9.950 798 2HD1 ILE 30 2HD1 ILE 30 10.005 -3.611 -8.507 799 3HD1 ILE 30 1HD1 ILE 30 9.806 -5.357 -8.657 800 H ASN 31 H ASN 31 7.063 -7.539 -12.434 801 HA ASN 31 HA ASN 31 7.551 -6.966 -15.245 802 1HB ASN 31 2HB ASN 31 8.313 -9.044 -13.939 803 2HB ASN 31 1HB ASN 31 6.651 -9.616 -14.097 804 1HD2 ASN 31 2HD2 ASN 31 8.645 -9.035 -17.652 805 2HD2 ASN 31 1HD2 ASN 31 8.801 -7.879 -16.420 806 H LYS 32 H LYS 32 4.750 -7.834 -13.270 807 HA LYS 32 HA LYS 32 2.995 -8.223 -15.560 808 1HB LYS 32 2HB LYS 32 2.589 -7.959 -12.588 809 2HB LYS 32 1HB LYS 32 1.206 -7.915 -13.682 810 1HG LYS 32 2HG LYS 32 1.559 -10.107 -14.428 811 2HG LYS 32 1HG LYS 32 3.250 -10.108 -13.930 812 1HD LYS 32 2HD LYS 32 2.746 -10.774 -11.824 813 2HD LYS 32 1HD LYS 32 1.387 -9.653 -11.708 814 1HE LYS 32 2HE LYS 32 0.874 -12.202 -11.693 815 2HE LYS 32 1HE LYS 32 -0.105 -11.163 -12.728 816 1HZ LYS 32 3HZ LYS 32 2.350 -12.253 -13.868 817 2HZ LYS 32 2HZ LYS 32 1.065 -13.338 -13.627 818 3HZ LYS 32 1HZ LYS 32 0.849 -11.963 -14.602 819 H ALA 33 H ALA 33 3.836 -5.546 -13.423 820 HA ALA 33 HA ALA 33 1.776 -3.745 -14.273 821 1HB ALA 33 3HB ALA 33 4.475 -3.427 -12.995 822 2HB ALA 33 2HB ALA 33 3.635 -1.999 -13.598 823 3HB ALA 33 1HB ALA 33 2.887 -3.004 -12.357 824 H ILE 34 H ILE 34 5.048 -4.389 -15.477 825 HA ILE 34 HA ILE 34 4.875 -2.372 -17.573 826 HB ILE 34 HB ILE 34 6.769 -4.673 -17.036 827 1HG1 ILE 34 2HG1 ILE 34 7.707 -1.878 -17.258 828 2HG1 ILE 34 1HG1 ILE 34 6.598 -2.175 -15.919 829 1HG2 ILE 34 1HG2 ILE 34 6.363 -3.063 -19.484 830 2HG2 ILE 34 3HG2 ILE 34 8.030 -3.136 -18.914 831 3HG2 ILE 34 2HG2 ILE 34 7.158 -4.624 -19.282 832 1HD1 ILE 34 1HD1 ILE 34 8.144 -4.314 -15.573 833 2HD1 ILE 34 3HD1 ILE 34 9.325 -3.303 -16.406 834 3HD1 ILE 34 2HD1 ILE 34 8.595 -2.748 -14.900 835 H HIS 35 H HIS 35 4.174 -5.804 -17.275 836 HA HIS 35 HA HIS 35 3.933 -6.389 -20.070 837 1HB HIS 35 2HB HIS 35 2.886 -7.631 -17.543 838 2HB HIS 35 1HB HIS 35 2.259 -8.181 -19.097 839 HD1 HIS 35 HD1 HIS 35 3.746 -10.334 -17.831 840 HD2 HIS 35 HD2 HIS 35 5.778 -7.349 -19.914 841 HE1 HIS 35 HE1 HIS 35 6.012 -11.294 -18.429 842 H ALA 36 H ALA 36 1.752 -4.927 -17.730 843 HA ALA 36 HA ALA 36 -0.610 -5.093 -19.399 844 1HB ALA 36 2HB ALA 36 -0.028 -4.283 -16.765 845 2HB ALA 36 1HB ALA 36 -0.643 -2.841 -17.574 846 3HB ALA 36 3HB ALA 36 -1.615 -4.312 -17.537 847 H GLY 37 H GLY 37 2.124 -2.950 -19.207 848 1HA GLY 37 2HA GLY 37 2.738 -1.139 -20.566 849 2HA GLY 37 1HA GLY 37 1.490 -1.672 -21.693 850 NH1 ARG 38 NH1 ARG 38 -4.823 -0.412 -15.353 851 NH2 ARG 38 NH2 ARG 38 -4.100 -2.502 -14.891 852 H ARG 38 H ARG 38 0.594 -0.979 -18.405 853 HA ARG 38 HA ARG 38 -1.282 1.054 -19.276 854 1HB ARG 38 2HB ARG 38 -1.074 -0.592 -17.068 855 2HB ARG 38 1HB ARG 38 -0.662 0.990 -16.404 856 1HG ARG 38 2HG ARG 38 -2.946 1.152 -16.233 857 2HG ARG 38 1HG ARG 38 -2.779 1.708 -17.898 858 1HD ARG 38 2HD ARG 38 -4.513 -0.011 -17.786 859 2HD ARG 38 1HD ARG 38 -3.125 -0.633 -18.680 860 HE ARG 38 HE ARG 38 -2.722 -2.162 -16.910 861 1HH1 ARG 38 2HH1 ARG 38 -4.819 0.397 -15.943 862 2HH1 ARG 38 1HH1 ARG 38 -5.385 -0.425 -14.528 863 1HH2 ARG 38 1HH2 ARG 38 -3.543 -3.299 -15.127 864 2HH2 ARG 38 2HH2 ARG 38 -4.664 -2.513 -14.065 865 H LYS 39 H LYS 39 -0.978 2.896 -17.067 866 HA LYS 39 HA LYS 39 1.486 4.326 -17.981 867 1HB LYS 39 2HB LYS 39 -1.284 5.184 -17.565 868 2HB LYS 39 1HB LYS 39 -0.121 6.205 -16.718 869 1HG LYS 39 2HG LYS 39 -0.540 7.016 -19.025 870 2HG LYS 39 1HG LYS 39 1.141 6.532 -18.798 871 1HD LYS 39 2HD LYS 39 0.962 5.005 -20.438 872 2HD LYS 39 1HD LYS 39 -0.403 4.246 -19.617 873 1HE LYS 39 2HE LYS 39 -1.058 5.020 -21.864 874 2HE LYS 39 1HE LYS 39 -1.931 5.910 -20.617 875 1HZ LYS 39 2HZ LYS 39 0.579 7.113 -21.309 876 2HZ LYS 39 1HZ LYS 39 -0.485 7.013 -22.631 877 3HZ LYS 39 3HZ LYS 39 -0.967 7.810 -21.214 878 H ILE 40 H ILE 40 2.508 2.906 -16.311 879 HA ILE 40 HA ILE 40 2.034 3.844 -13.528 880 HB ILE 40 HB ILE 40 3.740 1.590 -14.633 881 1HG1 ILE 40 2HG1 ILE 40 1.146 1.670 -13.062 882 2HG1 ILE 40 1HG1 ILE 40 1.364 1.085 -14.712 883 1HG2 ILE 40 1HG2 ILE 40 4.721 2.639 -12.599 884 2HG2 ILE 40 3HG2 ILE 40 3.198 2.370 -11.752 885 3HG2 ILE 40 2HG2 ILE 40 4.160 0.996 -12.296 886 1HD1 ILE 40 2HD1 ILE 40 3.180 -0.214 -12.826 887 2HD1 ILE 40 1HD1 ILE 40 1.486 -0.471 -12.413 888 3HD1 ILE 40 3HD1 ILE 40 2.085 -0.936 -14.005 889 H PHE 41 H PHE 41 3.021 5.825 -13.404 890 HA PHE 41 HA PHE 41 5.677 6.230 -14.595 891 1HB PHE 41 2HB PHE 41 4.153 8.156 -12.831 892 2HB PHE 41 1HB PHE 41 5.361 8.531 -14.063 893 HD1 PHE 41 HD1 PHE 41 4.833 8.113 -16.491 894 HD2 PHE 41 HD2 PHE 41 1.838 7.818 -13.422 895 HE1 PHE 41 HE1 PHE 41 3.059 8.263 -18.209 896 HE2 PHE 41 HE2 PHE 41 0.065 7.971 -15.147 897 HZ PHE 41 HZ PHE 41 0.673 8.192 -17.538 898 H LEU 42 H LEU 42 7.466 7.117 -13.229 899 HA LEU 42 HA LEU 42 7.364 6.043 -10.438 900 1HB LEU 42 2HB LEU 42 8.904 5.063 -12.591 901 2HB LEU 42 1HB LEU 42 10.026 5.958 -11.569 902 HG LEU 42 HG LEU 42 9.133 4.686 -9.591 903 1HD1 LEU 42 3HD1 LEU 42 6.952 4.103 -10.730 904 2HD1 LEU 42 2HD1 LEU 42 7.849 2.945 -11.712 905 3HD1 LEU 42 1HD1 LEU 42 7.758 2.732 -9.965 906 1HD2 LEU 42 2HD2 LEU 42 10.944 3.897 -11.591 907 2HD2 LEU 42 1HD2 LEU 42 10.852 3.265 -9.947 908 3HD2 LEU 42 3HD2 LEU 42 9.981 2.459 -11.252 909 H THR 43 H THR 43 7.730 7.684 -9.024 910 HA THR 43 HA THR 43 9.260 10.060 -9.977 911 HB THR 43 HB THR 43 7.358 9.639 -7.655 912 HG1 THR 43 HG1 THR 43 6.582 10.070 -9.825 913 1HG2 THR 43 3HG2 THR 43 9.080 12.042 -8.323 914 2HG2 THR 43 2HG2 THR 43 7.765 12.048 -7.149 915 3HG2 THR 43 1HG2 THR 43 9.190 11.045 -6.872 916 H ILE 44 H ILE 44 11.211 10.604 -8.976 917 HA ILE 44 HA ILE 44 12.020 8.938 -6.636 918 HB ILE 44 HB ILE 44 14.071 9.656 -8.687 919 1HG1 ILE 44 2HG1 ILE 44 12.098 8.703 -9.937 920 2HG1 ILE 44 1HG1 ILE 44 13.550 7.705 -10.034 921 1HG2 ILE 44 2HG2 ILE 44 13.869 8.058 -6.339 922 2HG2 ILE 44 1HG2 ILE 44 14.135 6.963 -7.695 923 3HG2 ILE 44 3HG2 ILE 44 15.275 8.272 -7.381 924 1HD1 ILE 44 2HD1 ILE 44 12.043 6.980 -7.690 925 2HD1 ILE 44 1HD1 ILE 44 10.991 6.931 -9.104 926 3HD1 ILE 44 3HD1 ILE 44 12.475 5.978 -9.076 927 H ASN 45 H ASN 45 12.610 10.250 -4.988 928 HA ASN 45 HA ASN 45 13.248 13.077 -5.550 929 1HB ASN 45 2HB ASN 45 13.074 11.699 -2.859 930 2HB ASN 45 1HB ASN 45 12.996 13.430 -3.181 931 1HD2 ASN 45 2HD2 ASN 45 9.525 13.368 -3.732 932 2HD2 ASN 45 1HD2 ASN 45 10.917 14.279 -3.392 933 H ALA 46 H ALA 46 15.219 14.040 -4.993 934 HA ALA 46 HA ALA 46 17.613 12.758 -5.470 935 1HB ALA 46 3HB ALA 46 16.811 15.243 -4.170 936 2HB ALA 46 2HB ALA 46 18.317 14.604 -3.512 937 3HB ALA 46 1HB ALA 46 18.177 14.928 -5.239 938 H ASP 47 H ASP 47 15.716 12.501 -2.558 939 HA ASP 47 HA ASP 47 17.945 11.428 -0.978 940 1HB ASP 47 2HB ASP 47 15.048 12.007 -0.505 941 2HB ASP 47 1HB ASP 47 15.842 10.830 0.542 942 H GLY 48 H GLY 48 17.290 10.033 -3.473 943 1HA GLY 48 2HA GLY 48 16.908 7.854 -4.253 944 2HA GLY 48 1HA GLY 48 17.499 7.354 -2.667 945 H SER 49 H SER 49 14.654 9.365 -3.045 946 HA SER 49 HA SER 49 13.062 7.246 -1.723 947 1HB SER 49 2HB SER 49 12.996 10.136 -1.847 948 2HB SER 49 1HB SER 49 11.424 9.473 -2.282 949 HG SER 49 HG SER 49 12.091 8.041 -0.287 950 H VAL 50 H VAL 50 11.189 6.319 -2.683 951 HA VAL 50 HA VAL 50 10.908 6.877 -5.609 952 HB VAL 50 HB VAL 50 10.357 4.224 -4.253 953 1HG1 VAL 50 3HG1 VAL 50 10.266 5.305 -7.043 954 2HG1 VAL 50 2HG1 VAL 50 10.752 3.624 -6.816 955 3HG1 VAL 50 1HG1 VAL 50 9.174 4.172 -6.247 956 1HG2 VAL 50 2HG2 VAL 50 12.868 5.434 -4.866 957 2HG2 VAL 50 1HG2 VAL 50 12.566 3.783 -4.324 958 3HG2 VAL 50 3HG2 VAL 50 12.591 4.154 -6.048 959 OH TYR 51 OH TYR 51 1.522 8.869 -2.542 960 H TYR 51 H TYR 51 8.786 6.845 -6.446 961 HA TYR 51 HA TYR 51 6.492 6.353 -4.702 962 1HB TYR 51 2HB TYR 51 7.419 8.760 -4.233 963 2HB TYR 51 1HB TYR 51 6.712 9.150 -5.802 964 HD1 TYR 51 HD1 TYR 51 5.789 7.271 -2.678 965 HD2 TYR 51 HD2 TYR 51 4.516 9.918 -5.814 966 HE1 TYR 51 HE1 TYR 51 3.549 7.441 -1.627 967 HE2 TYR 51 HE2 TYR 51 2.275 10.086 -4.763 968 HH TYR 51 HH TYR 51 1.358 9.794 -2.344 969 H ALA 52 H ALA 52 6.219 4.858 -6.528 970 HA ALA 52 HA ALA 52 5.801 5.956 -9.201 971 1HB ALA 52 1HB ALA 52 6.667 3.634 -8.738 972 2HB ALA 52 3HB ALA 52 5.058 3.210 -8.157 973 3HB ALA 52 2HB ALA 52 5.292 3.681 -9.841 974 H GLU 53 H GLU 53 3.790 6.162 -10.263 975 HA GLU 53 HA GLU 53 1.361 5.859 -8.551 976 1HB GLU 53 2HB GLU 53 2.276 8.288 -10.089 977 2HB GLU 53 1HB GLU 53 0.571 8.030 -9.714 978 1HG GLU 53 2HG GLU 53 1.297 7.704 -7.285 979 2HG GLU 53 1HG GLU 53 2.869 8.338 -7.772 980 H GLU 54 H GLU 54 -0.643 6.001 -9.900 981 HA GLU 54 HA GLU 54 -0.185 4.848 -12.621 982 1HB GLU 54 2HB GLU 54 -1.091 3.310 -10.673 983 2HB GLU 54 1HB GLU 54 -2.611 4.147 -10.993 984 1HG GLU 54 2HG GLU 54 -2.942 3.001 -12.910 985 2HG GLU 54 1HG GLU 54 -1.292 3.307 -13.455 986 H VAL 55 H VAL 55 -1.142 6.062 -14.188 987 HA VAL 55 HA VAL 55 -3.595 7.577 -13.517 988 HB VAL 55 HB VAL 55 -1.589 9.169 -15.009 989 1HG1 VAL 55 3HG1 VAL 55 -3.856 9.945 -14.245 990 2HG1 VAL 55 2HG1 VAL 55 -3.303 9.769 -12.579 991 3HG1 VAL 55 1HG1 VAL 55 -2.534 10.946 -13.644 992 1HG2 VAL 55 2HG2 VAL 55 -1.254 8.607 -12.040 993 2HG2 VAL 55 1HG2 VAL 55 -0.137 8.102 -13.307 994 3HG2 VAL 55 3HG2 VAL 55 -0.363 9.817 -12.963 995 H LYS 56 H LYS 56 -4.838 6.524 -15.018 996 HA LYS 56 HA LYS 56 -4.204 7.026 -17.857 997 1HB LYS 56 2HB LYS 56 -3.157 4.887 -17.565 998 2HB LYS 56 1HB LYS 56 -4.527 4.273 -16.643 999 1HG LYS 56 2HG LYS 56 -5.139 3.378 -18.656 1000 2HG LYS 56 1HG LYS 56 -5.776 4.992 -18.959 1001 1HD LYS 56 2HD LYS 56 -3.847 5.639 -20.191 1002 2HD LYS 56 1HD LYS 56 -2.926 4.246 -19.621 1003 1HE LYS 56 2HE LYS 56 -5.307 3.272 -20.863 1004 2HE LYS 56 1HE LYS 56 -4.562 4.437 -21.957 1005 1HZ LYS 56 3HZ LYS 56 -3.082 2.229 -20.642 1006 2HZ LYS 56 2HZ LYS 56 -3.739 2.123 -22.205 1007 3HZ LYS 56 1HZ LYS 56 -2.516 3.254 -21.870 1008 HA PRO 57 HA PRO 57 -8.613 7.636 -17.482 1009 1HB PRO 57 2HB PRO 57 -8.952 8.609 -20.031 1010 2HB PRO 57 1HB PRO 57 -8.326 9.579 -18.686 1011 1HG PRO 57 2HG PRO 57 -6.854 8.405 -21.000 1012 2HG PRO 57 1HG PRO 57 -6.461 9.832 -20.026 1013 1HD PRO 57 2HD PRO 57 -5.260 7.279 -19.786 1014 2HD PRO 57 1HD PRO 57 -5.124 8.612 -18.619 1015 H PHE 58 H PHE 58 -10.575 6.913 -18.758 1016 HA PHE 58 HA PHE 58 -10.136 4.184 -19.801 1017 1HB PHE 58 2HB PHE 58 -12.309 5.652 -18.528 1018 2HB PHE 58 1HB PHE 58 -12.864 4.788 -19.961 1019 HD1 PHE 58 HD1 PHE 58 -10.024 3.808 -17.771 1020 HD2 PHE 58 HD2 PHE 58 -14.076 2.997 -18.945 1021 HE1 PHE 58 HE1 PHE 58 -9.960 1.672 -16.511 1022 HE2 PHE 58 HE2 PHE 58 -14.013 0.861 -17.684 1023 HZ PHE 58 HZ PHE 58 -11.956 0.199 -16.467 1024 HA PRO 59 HA PRO 59 -12.273 3.153 -20.744 1025 1HB PRO 59 2HB PRO 59 -12.281 1.489 -22.928 1026 2HB PRO 59 1HB PRO 59 -13.585 2.628 -22.556 1027 1HG PRO 59 2HG PRO 59 -11.469 2.817 -24.649 1028 2HG PRO 59 1HG PRO 59 -13.093 3.523 -24.629 1029 1HD PRO 59 2HD PRO 59 -10.690 4.903 -24.079 1030 2HD PRO 59 1HD PRO 59 -12.331 5.486 -23.724 1031 H SER 60 H SER 60 -11.424 0.712 -20.870 1032 HA SER 60 HA SER 60 -8.502 0.877 -20.491 1033 1HB SER 60 2HB SER 60 -10.658 -1.055 -19.740 1034 2HB SER 60 1HB SER 60 -9.006 -1.657 -19.862 1035 HG SER 60 HG SER 60 -8.664 0.476 -18.563 1036 H ASN 61 H ASN 61 -7.010 -0.176 -21.781 1037 HA ASN 61 HA ASN 61 -8.021 -1.936 -23.954 1038 1HB ASN 61 2HB ASN 61 -6.207 -0.661 -25.393 1039 2HB ASN 61 1HB ASN 61 -7.835 -0.003 -25.235 1040 1HD2 ASN 61 2HD2 ASN 61 -6.805 2.805 -23.324 1041 2HD2 ASN 61 1HD2 ASN 61 -8.126 1.898 -23.886 1042 H LYS 62 H LYS 62 -6.548 -3.572 -24.503 1043 HA LYS 62 HA LYS 62 -4.700 -4.990 -24.217 1044 1HB LYS 62 2HB LYS 62 -3.679 -2.373 -24.499 1045 2HB LYS 62 1HB LYS 62 -2.810 -3.085 -23.139 1046 1HG LYS 62 2HG LYS 62 -1.498 -3.944 -24.806 1047 2HG LYS 62 1HG LYS 62 -2.758 -5.177 -24.849 1048 1HD LYS 62 2HD LYS 62 -3.897 -3.356 -26.472 1049 2HD LYS 62 1HD LYS 62 -2.201 -2.971 -26.767 1050 1HE LYS 62 2HE LYS 62 -3.556 -5.657 -27.115 1051 2HE LYS 62 1HE LYS 62 -2.832 -4.653 -28.372 1052 1HZ LYS 62 2HZ LYS 62 -1.352 -5.858 -26.096 1053 2HZ LYS 62 1HZ LYS 62 -1.382 -6.483 -27.676 1054 3HZ LYS 62 3HZ LYS 62 -0.679 -4.968 -27.378 1055 H LYS 63 H LYS 63 -6.556 -4.308 -21.958 1056 HA LYS 63 HA LYS 63 -4.767 -4.578 -19.607 1057 1HB LYS 63 2HB LYS 63 -6.837 -3.021 -19.717 1058 2HB LYS 63 1HB LYS 63 -7.783 -4.499 -19.529 1059 1HG LYS 63 2HG LYS 63 -5.984 -4.884 -17.557 1060 2HG LYS 63 1HG LYS 63 -6.015 -3.120 -17.574 1061 1HD LYS 63 2HD LYS 63 -7.991 -3.120 -16.500 1062 2HD LYS 63 1HD LYS 63 -8.708 -4.090 -17.787 1063 1HE LYS 63 2HE LYS 63 -8.902 -5.723 -16.231 1064 2HE LYS 63 1HE LYS 63 -7.161 -5.933 -16.418 1065 1HZ LYS 63 3HZ LYS 63 -8.086 -3.814 -14.632 1066 2HZ LYS 63 2HZ LYS 63 -8.260 -5.416 -14.095 1067 3HZ LYS 63 1HZ LYS 63 -6.725 -4.819 -14.508 1068 H THR 64 H THR 64 -4.391 -6.812 -20.945 1069 HA THR 64 HA THR 64 -6.387 -8.821 -20.032 1070 HB THR 64 HB THR 64 -5.178 -10.376 -21.525 1071 HG1 THR 64 HG1 THR 64 -3.666 -8.319 -22.594 1072 1HG2 THR 64 2HG2 THR 64 -6.442 -7.876 -22.368 1073 2HG2 THR 64 1HG2 THR 64 -5.374 -8.548 -23.601 1074 3HG2 THR 64 3HG2 THR 64 -6.700 -9.518 -22.958 1075 H THR 65 H THR 65 -5.573 -8.400 -17.762 1076 HA THR 65 HA THR 65 -3.003 -9.845 -17.255 1077 HB THR 65 HB THR 65 -4.453 -7.871 -15.464 1078 HG1 THR 65 HG1 THR 65 -3.502 -6.470 -16.678 1079 1HG2 THR 65 1HG2 THR 65 -1.869 -9.409 -15.249 1080 2HG2 THR 65 3HG2 THR 65 -2.113 -7.901 -14.366 1081 3HG2 THR 65 2HG2 THR 65 -3.172 -9.280 -14.067 1082 H ALA 66 HN ALA 66 -4.771 -11.689 -17.644 1083 HA ALA 66 HA ALA 66 -5.287 -12.835 -15.023 1084 1HB ALA 66 2HB ALA 66 -7.312 -11.201 -16.042 1085 2HB ALA 66 1HB ALA 66 -7.831 -12.836 -16.445 1086 3HB ALA 66 3HB ALA 66 -7.491 -12.409 -14.769 Start of MODEL 5 Raw file had 1086 H/Q atoms Start of MODEL 5 1 1H MET 1 1H MET 1 -14.381 15.143 -6.834 2 2H MET 1 3H MET 1 -13.577 14.410 -8.135 3 3H MET 1 2H MET 1 -12.723 15.427 -7.076 4 HA MET 1 HA MET 1 -13.323 17.266 -8.146 5 1HB MET 1 2HB MET 1 -14.353 15.213 -10.130 6 2HB MET 1 1HB MET 1 -14.010 16.902 -10.505 7 1HG MET 1 2HG MET 1 -11.784 15.566 -9.145 8 2HG MET 1 1HG MET 1 -12.193 14.819 -10.689 9 1HE MET 1 2HE MET 1 -9.560 16.122 -9.854 10 2HE MET 1 1HE MET 1 -9.653 15.596 -11.533 11 3HE MET 1 3HE MET 1 -9.064 17.216 -11.143 12 H GLU 2 H GLU 2 -16.080 15.180 -9.083 13 HA GLU 2 HA GLU 2 -17.946 16.714 -7.459 14 1HB GLU 2 2HB GLU 2 -17.305 17.892 -9.868 15 2HB GLU 2 1HB GLU 2 -18.741 16.955 -10.281 16 1HG GLU 2 2HG GLU 2 -19.586 19.044 -9.532 17 2HG GLU 2 1HG GLU 2 -19.796 17.958 -8.158 18 H GLN 3 H GLN 3 -18.360 15.165 -10.647 19 HA GLN 3 HA GLN 3 -20.391 13.381 -9.475 20 1HB GLN 3 2HB GLN 3 -19.593 14.255 -12.181 21 2HB GLN 3 1HB GLN 3 -20.103 12.571 -12.077 22 1HG GLN 3 2HG GLN 3 -22.189 13.480 -12.312 23 2HG GLN 3 1HG GLN 3 -22.035 13.733 -10.573 24 1HE2 GLN 3 2HE2 GLN 3 -22.892 17.087 -11.625 25 2HE2 GLN 3 1HE2 GLN 3 -23.605 15.616 -11.168 26 NH1 ARG 4 NH2 ARG 4 -11.265 11.554 -9.774 27 NH2 ARG 4 NH1 ARG 4 -11.552 9.335 -9.452 28 H ARG 4 H ARG 4 -18.638 12.339 -8.094 29 HA ARG 4 HA ARG 4 -17.016 10.384 -9.659 30 1HB ARG 4 2HB ARG 4 -16.764 11.520 -6.875 31 2HB ARG 4 1HB ARG 4 -15.922 10.040 -7.334 32 1HG ARG 4 2HG ARG 4 -15.717 12.507 -9.049 33 2HG ARG 4 1HG ARG 4 -14.680 12.309 -7.635 34 1HD ARG 4 2HD ARG 4 -14.769 9.872 -9.212 35 2HD ARG 4 1HD ARG 4 -14.239 11.240 -10.190 36 HE ARG 4 HE ARG 4 -12.917 10.951 -7.569 37 1HH1 ARG 4 1HH2 ARG 4 -11.562 12.497 -9.624 38 2HH1 ARG 4 2HH2 ARG 4 -10.451 11.368 -10.326 39 1HH2 ARG 4 2HH1 ARG 4 -12.068 8.577 -9.052 40 2HH2 ARG 4 1HH1 ARG 4 -10.737 9.150 -10.001 41 H ILE 5 H ILE 5 -17.765 8.337 -9.740 42 HA ILE 5 HA ILE 5 -19.182 7.200 -7.402 43 HB ILE 5 HB ILE 5 -20.344 7.222 -10.203 44 1HG1 ILE 5 2HG1 ILE 5 -22.264 8.314 -8.740 45 2HG1 ILE 5 1HG1 ILE 5 -20.920 8.736 -7.679 46 1HG2 ILE 5 3HG2 ILE 5 -21.203 5.880 -7.630 47 2HG2 ILE 5 2HG2 ILE 5 -22.286 6.105 -9.004 48 3HG2 ILE 5 1HG2 ILE 5 -20.840 5.111 -9.174 49 1HD1 ILE 5 2HD1 ILE 5 -20.121 9.296 -10.361 50 2HD1 ILE 5 1HD1 ILE 5 -21.714 10.012 -10.111 51 3HD1 ILE 5 3HD1 ILE 5 -20.378 10.438 -9.042 52 H THR 6 H THR 6 -18.257 5.240 -7.035 53 HA THR 6 HA THR 6 -16.295 4.037 -8.622 54 HB THR 6 HB THR 6 -18.185 2.258 -7.122 55 HG1 THR 6 HG1 THR 6 -16.413 4.139 -5.952 56 1HG2 THR 6 1HG2 THR 6 -15.987 1.550 -8.223 57 2HG2 THR 6 3HG2 THR 6 -15.177 2.498 -6.977 58 3HG2 THR 6 2HG2 THR 6 -16.180 1.121 -6.524 59 H LEU 7 H LEU 7 -16.360 2.256 -10.125 60 HA LEU 7 HA LEU 7 -18.394 2.415 -12.107 61 1HB LEU 7 2HB LEU 7 -16.293 1.541 -12.793 62 2HB LEU 7 1HB LEU 7 -16.270 0.355 -11.490 63 HG LEU 7 HG LEU 7 -18.286 -0.732 -12.550 64 1HD1 LEU 7 1HD1 LEU 7 -17.680 1.384 -14.612 65 2HD1 LEU 7 3HD1 LEU 7 -18.489 -0.117 -15.058 66 3HD1 LEU 7 2HD1 LEU 7 -19.234 0.971 -13.886 67 1HD2 LEU 7 3HD2 LEU 7 -15.776 -1.314 -12.952 68 2HD2 LEU 7 2HD2 LEU 7 -16.980 -1.993 -14.048 69 3HD2 LEU 7 1HD2 LEU 7 -16.028 -0.593 -14.541 70 H LYS 8 H LYS 8 -18.187 0.597 -9.147 71 HA LYS 8 HA LYS 8 -20.305 -1.286 -9.895 72 1HB LYS 8 2HB LYS 8 -20.015 -2.212 -7.721 73 2HB LYS 8 1HB LYS 8 -18.398 -1.727 -8.230 74 1HG LYS 8 2HG LYS 8 -19.013 0.543 -7.056 75 2HG LYS 8 1HG LYS 8 -20.210 -0.437 -6.210 76 1HD LYS 8 2HD LYS 8 -18.465 -1.958 -5.427 77 2HD LYS 8 1HD LYS 8 -17.247 -1.068 -6.341 78 1HE LYS 8 2HE LYS 8 -17.091 0.552 -4.766 79 2HE LYS 8 1HE LYS 8 -18.843 0.650 -4.579 80 1HZ LYS 8 1HZ LYS 8 -17.861 -1.810 -3.573 81 2HZ LYS 8 3HZ LYS 8 -17.049 -0.514 -2.841 82 3HZ LYS 8 2HZ LYS 8 -18.743 -0.600 -2.772 83 H ASP 9 H ASP 9 -20.024 1.770 -8.179 84 HA ASP 9 HA ASP 9 -22.706 1.695 -7.075 85 1HB ASP 9 2HB ASP 9 -20.776 3.987 -7.532 86 2HB ASP 9 1HB ASP 9 -22.305 4.137 -6.664 87 OH TYR 10 OH TYR 10 -24.604 5.993 -16.866 88 H TYR 10 H TYR 10 -21.248 2.929 -10.040 89 HA TYR 10 HA TYR 10 -23.691 4.286 -10.899 90 1HB TYR 10 2HB TYR 10 -21.503 5.106 -11.645 91 2HB TYR 10 1HB TYR 10 -21.162 3.554 -12.411 92 HD1 TYR 10 HD2 TYR 10 -24.237 5.703 -12.332 93 HD2 TYR 10 HD1 TYR 10 -21.207 3.830 -14.731 94 HE1 TYR 10 HE2 TYR 10 -25.399 6.458 -14.389 95 HE2 TYR 10 HE1 TYR 10 -22.366 4.589 -16.787 96 HH TYR 10 HH TYR 10 -25.318 5.378 -17.047 97 H ALA 11 H ALA 11 -22.221 1.125 -11.346 98 HA ALA 11 HA ALA 11 -24.152 0.407 -13.454 99 1HB ALA 11 1HB ALA 11 -21.688 -0.737 -12.319 100 2HB ALA 11 3HB ALA 11 -22.920 -1.937 -12.711 101 3HB ALA 11 2HB ALA 11 -22.326 -0.843 -13.960 102 H MET 12 H MET 12 -23.980 0.312 -10.016 103 HA MET 12 HA MET 12 -25.964 -1.885 -9.827 104 1HB MET 12 2HB MET 12 -24.301 -0.344 -7.851 105 2HB MET 12 1HB MET 12 -25.747 -1.189 -7.298 106 1HG MET 12 2HG MET 12 -24.117 -2.839 -9.075 107 2HG MET 12 1HG MET 12 -23.231 -2.326 -7.638 108 1HE MET 12 2HE MET 12 -23.137 -3.094 -5.851 109 2HE MET 12 1HE MET 12 -24.396 -3.707 -4.782 110 3HE MET 12 3HE MET 12 -23.443 -4.827 -5.766 111 NH1 ARG 13 NH1 ARG 13 -28.783 6.691 -6.012 112 NH2 ARG 13 NH2 ARG 13 -30.973 7.136 -6.352 113 H ARG 13 H ARG 13 -25.607 1.554 -9.183 114 HA ARG 13 HA ARG 13 -28.389 1.881 -8.355 115 1HB ARG 13 2HB ARG 13 -26.971 3.416 -7.312 116 2HB ARG 13 1HB ARG 13 -26.005 3.658 -8.761 117 1HG ARG 13 2HG ARG 13 -27.308 5.644 -8.387 118 2HG ARG 13 1HG ARG 13 -27.958 4.820 -9.802 119 1HD ARG 13 2HD ARG 13 -29.853 4.055 -8.646 120 2HD ARG 13 1HD ARG 13 -29.083 4.245 -7.070 121 HE ARG 13 HE ARG 13 -30.123 6.501 -8.727 122 1HH1 ARG 13 2HH1 ARG 13 -27.920 6.299 -6.329 123 2HH1 ARG 13 1HH1 ARG 13 -28.831 7.137 -5.119 124 1HH2 ARG 13 1HH2 ARG 13 -31.788 7.084 -6.929 125 2HH2 ARG 13 2HH2 ARG 13 -31.021 7.581 -5.457 126 H PHE 14 H PHE 14 -26.563 2.079 -11.332 127 HA PHE 14 HA PHE 14 -29.017 3.137 -12.677 128 1HB PHE 14 2HB PHE 14 -26.191 3.322 -13.742 129 2HB PHE 14 1HB PHE 14 -27.620 4.186 -14.308 130 HD1 PHE 14 HD2 PHE 14 -25.659 3.678 -11.127 131 HD2 PHE 14 HD1 PHE 14 -27.946 6.367 -13.578 132 HE1 PHE 14 HE2 PHE 14 -25.190 5.524 -9.545 133 HE2 PHE 14 HE1 PHE 14 -27.475 8.212 -11.993 134 HZ PHE 14 HZ PHE 14 -26.096 7.791 -9.975 135 H GLY 15 H GLY 15 -27.423 0.335 -12.138 136 1HA GLY 15 2HA GLY 15 -27.877 -1.754 -13.190 137 2HA GLY 15 1HA GLY 15 -28.558 -0.884 -14.565 138 H GLN 16 H GLN 16 -26.432 -3.055 -14.330 139 HA GLN 16 HA GLN 16 -23.906 -1.898 -15.077 140 1HB GLN 16 2HB GLN 16 -25.033 -4.651 -15.678 141 2HB GLN 16 1HB GLN 16 -23.338 -4.184 -15.830 142 1HG GLN 16 2HG GLN 16 -23.036 -4.660 -13.653 143 2HG GLN 16 1HG GLN 16 -24.190 -3.393 -13.236 144 1HE2 GLN 16 2HE2 GLN 16 -25.592 -6.517 -11.827 145 2HE2 GLN 16 1HE2 GLN 16 -24.251 -5.519 -11.529 146 H THR 17 H THR 17 -26.816 -2.708 -16.852 147 HA THR 17 HA THR 17 -25.623 -2.655 -19.480 148 HB THR 17 HB THR 17 -27.916 -3.605 -18.836 149 HG1 THR 17 HG1 THR 17 -27.182 -2.144 -21.043 150 1HG2 THR 17 2HG2 THR 17 -28.357 -1.091 -17.860 151 2HG2 THR 17 1HG2 THR 17 -29.146 -0.992 -19.433 152 3HG2 THR 17 3HG2 THR 17 -29.636 -2.231 -18.277 153 H LYS 18 H LYS 18 -26.805 -0.198 -17.274 154 HA LYS 18 HA LYS 18 -26.856 1.922 -19.271 155 1HB LYS 18 2HB LYS 18 -26.872 1.949 -16.242 156 2HB LYS 18 1HB LYS 18 -26.967 3.412 -17.225 157 1HG LYS 18 2HG LYS 18 -28.918 2.084 -18.429 158 2HG LYS 18 1HG LYS 18 -28.978 1.218 -16.894 159 1HD LYS 18 2HD LYS 18 -28.894 3.681 -15.896 160 2HD LYS 18 1HD LYS 18 -29.572 4.091 -17.473 161 1HE LYS 18 2HE LYS 18 -31.017 1.840 -16.689 162 2HE LYS 18 1HE LYS 18 -30.845 2.773 -15.203 163 1HZ LYS 18 3HZ LYS 18 -31.685 4.026 -17.747 164 2HZ LYS 18 2HZ LYS 18 -32.806 3.320 -16.683 165 3HZ LYS 18 1HZ LYS 18 -31.851 4.629 -16.170 166 H THR 19 H THR 19 -24.533 0.683 -16.922 167 HA THR 19 HA THR 19 -22.610 2.821 -17.349 168 HB THR 19 HB THR 19 -22.104 0.026 -16.280 169 HG1 THR 19 HG1 THR 19 -22.293 1.392 -14.250 170 1HG2 THR 19 3HG2 THR 19 -20.455 2.355 -16.720 171 2HG2 THR 19 2HG2 THR 19 -20.540 1.994 -14.997 172 3HG2 THR 19 1HG2 THR 19 -19.984 0.763 -16.129 173 H ALA 20 H ALA 20 -23.348 -0.253 -18.847 174 HA ALA 20 HA ALA 20 -20.864 -0.260 -20.428 175 1HB ALA 20 2HB ALA 20 -23.008 -2.144 -19.830 176 2HB ALA 20 1HB ALA 20 -22.633 -2.112 -21.553 177 3HB ALA 20 3HB ALA 20 -21.364 -2.464 -20.380 178 H LYS 21 H LYS 21 -23.983 1.115 -20.616 179 HA LYS 21 HA LYS 21 -24.056 1.219 -23.554 180 1HB LYS 21 2HB LYS 21 -26.010 1.350 -21.630 181 2HB LYS 21 1HB LYS 21 -25.804 3.054 -22.040 182 1HG LYS 21 2HG LYS 21 -27.350 2.428 -23.651 183 2HG LYS 21 1HG LYS 21 -25.847 2.123 -24.522 184 1HD LYS 21 2HD LYS 21 -26.263 -0.229 -23.095 185 2HD LYS 21 1HD LYS 21 -27.882 0.230 -23.624 186 1HE LYS 21 2HE LYS 21 -25.660 0.423 -25.612 187 2HE LYS 21 1HE LYS 21 -26.263 -1.183 -25.203 188 1HZ LYS 21 2HZ LYS 21 -28.471 0.475 -25.543 189 2HZ LYS 21 1HZ LYS 21 -27.438 0.760 -26.862 190 3HZ LYS 21 3HZ LYS 21 -27.975 -0.815 -26.532 191 H ASP 22 H ASP 22 -23.365 3.383 -20.840 192 HA ASP 22 HA ASP 22 -22.861 5.681 -22.564 193 1HB ASP 22 2HB ASP 22 -23.213 5.248 -19.792 194 2HB ASP 22 1HB ASP 22 -21.575 5.873 -19.983 195 H LEU 23 H LEU 23 -20.931 3.206 -20.940 196 HA LEU 23 HA LEU 23 -18.429 4.377 -21.987 197 1HB LEU 23 2HB LEU 23 -19.047 1.995 -20.224 198 2HB LEU 23 1HB LEU 23 -17.421 2.335 -20.821 199 HG LEU 23 HG LEU 23 -18.817 4.653 -19.634 200 1HD1 LEU 23 2HD1 LEU 23 -18.712 2.119 -18.227 201 2HD1 LEU 23 1HD1 LEU 23 -17.725 3.328 -17.407 202 3HD1 LEU 23 3HD1 LEU 23 -19.431 3.645 -17.714 203 1HD2 LEU 23 2HD2 LEU 23 -16.458 4.682 -20.385 204 2HD2 LEU 23 1HD2 LEU 23 -16.581 4.994 -18.653 205 3HD2 LEU 23 3HD2 LEU 23 -16.080 3.404 -19.229 206 H GLY 24 H GLY 24 -20.755 1.951 -22.802 207 1HA GLY 24 2HA GLY 24 -20.921 0.751 -24.835 208 2HA GLY 24 1HA GLY 24 -19.358 1.413 -25.313 209 H VAL 25 H VAL 25 -19.841 -0.245 -22.249 210 HA VAL 25 HA VAL 25 -17.913 -2.306 -23.184 211 HB VAL 25 HB VAL 25 -18.748 -2.423 -20.366 212 1HG1 VAL 25 3HG1 VAL 25 -16.242 -2.438 -22.011 213 2HG1 VAL 25 2HG1 VAL 25 -16.121 -2.123 -20.280 214 3HG1 VAL 25 1HG1 VAL 25 -16.827 -3.633 -20.856 215 1HG2 VAL 25 1HG2 VAL 25 -17.649 0.120 -21.562 216 2HG2 VAL 25 3HG2 VAL 25 -18.918 -0.073 -20.352 217 3HG2 VAL 25 2HG2 VAL 25 -17.232 -0.342 -19.912 218 OH TYR 26 OH TYR 26 -15.228 -5.402 -25.818 219 H TYR 26 H TYR 26 -18.477 -4.483 -21.708 220 HA TYR 26 HA TYR 26 -21.226 -5.206 -22.627 221 1HB TYR 26 2HB TYR 26 -19.398 -7.371 -21.775 222 2HB TYR 26 1HB TYR 26 -20.444 -7.276 -23.188 223 HD1 TYR 26 HD1 TYR 26 -17.142 -6.386 -21.801 224 HD2 TYR 26 HD2 TYR 26 -19.663 -6.310 -25.278 225 HE1 TYR 26 HE1 TYR 26 -15.184 -5.802 -23.206 226 HE2 TYR 26 HE2 TYR 26 -17.705 -5.726 -26.683 227 HH TYR 26 HH TYR 26 -14.445 -5.428 -25.262 228 H GLN 27 H GLN 27 -22.323 -6.885 -21.192 229 HA GLN 27 HA GLN 27 -22.475 -5.878 -18.494 230 1HB GLN 27 2HB GLN 27 -23.578 -8.421 -19.727 231 2HB GLN 27 1HB GLN 27 -24.005 -7.817 -18.126 232 1HG GLN 27 2HG GLN 27 -25.148 -5.967 -18.983 233 2HG GLN 27 1HG GLN 27 -24.286 -6.021 -20.520 234 1HE2 GLN 27 2HE2 GLN 27 -27.145 -8.939 -20.000 235 2HE2 GLN 27 1HE2 GLN 27 -26.123 -8.545 -18.703 236 H SER 28 H SER 28 -20.553 -8.317 -20.036 237 HA SER 28 HA SER 28 -19.908 -9.709 -17.534 238 1HB SER 28 2HB SER 28 -18.656 -9.893 -20.290 239 2HB SER 28 1HB SER 28 -18.296 -10.962 -18.938 240 HG SER 28 HG SER 28 -20.658 -11.344 -18.931 241 H ALA 29 H ALA 29 -18.844 -6.897 -19.164 242 HA ALA 29 HA ALA 29 -16.126 -6.975 -18.027 243 1HB ALA 29 1HB ALA 29 -17.641 -5.219 -19.887 244 2HB ALA 29 3HB ALA 29 -16.421 -4.423 -18.893 245 3HB ALA 29 2HB ALA 29 -15.960 -5.749 -19.962 246 H ILE 30 H ILE 30 -19.270 -5.573 -17.421 247 HA ILE 30 HA ILE 30 -18.341 -3.839 -15.265 248 HB ILE 30 HB ILE 30 -21.179 -4.779 -15.710 249 1HG1 ILE 30 2HG1 ILE 30 -20.423 -4.082 -17.897 250 2HG1 ILE 30 1HG1 ILE 30 -21.369 -2.754 -17.222 251 1HG2 ILE 30 3HG2 ILE 30 -19.858 -2.893 -14.012 252 2HG2 ILE 30 2HG2 ILE 30 -20.893 -2.008 -15.133 253 3HG2 ILE 30 1HG2 ILE 30 -21.578 -3.266 -14.104 254 1HD1 ILE 30 1HD1 ILE 30 -18.733 -2.338 -16.318 255 2HD1 ILE 30 3HD1 ILE 30 -18.587 -2.780 -18.019 256 3HD1 ILE 30 2HD1 ILE 30 -19.593 -1.410 -17.547 257 H ASN 31 H ASN 31 -19.837 -7.019 -15.606 258 HA ASN 31 HA ASN 31 -20.142 -7.490 -12.765 259 1HB ASN 31 2HB ASN 31 -20.047 -9.350 -15.159 260 2HB ASN 31 1HB ASN 31 -20.346 -9.907 -13.512 261 1HD2 ASN 31 2HD2 ASN 31 -23.496 -8.757 -15.528 262 2HD2 ASN 31 1HD2 ASN 31 -22.082 -9.456 -16.154 263 H LYS 32 H LYS 32 -17.567 -7.889 -15.106 264 HA LYS 32 HA LYS 32 -15.919 -9.584 -13.412 265 1HB LYS 32 2HB LYS 32 -15.534 -8.078 -15.979 266 2HB LYS 32 1HB LYS 32 -14.114 -8.654 -15.105 267 1HG LYS 32 2HG LYS 32 -15.046 -10.944 -15.103 268 2HG LYS 32 1HG LYS 32 -16.455 -10.366 -15.995 269 1HD LYS 32 2HD LYS 32 -15.243 -10.012 -17.950 270 2HD LYS 32 1HD LYS 32 -13.714 -9.821 -17.091 271 1HE LYS 32 2HE LYS 32 -13.454 -12.138 -16.783 272 2HE LYS 32 1HE LYS 32 -15.167 -12.460 -17.058 273 1HZ LYS 32 2HZ LYS 32 -14.449 -11.312 -19.367 274 2HZ LYS 32 1HZ LYS 32 -13.019 -12.135 -18.964 275 3HZ LYS 32 3HZ LYS 32 -14.477 -12.990 -19.106 276 H ALA 33 H ALA 33 -16.250 -6.124 -13.990 277 HA ALA 33 HA ALA 33 -13.878 -5.340 -12.550 278 1HB ALA 33 3HB ALA 33 -16.280 -3.987 -13.653 279 2HB ALA 33 2HB ALA 33 -15.469 -3.162 -12.322 280 3HB ALA 33 1HB ALA 33 -14.578 -3.547 -13.795 281 H ILE 34 H ILE 34 -17.289 -5.693 -11.638 282 HA ILE 34 HA ILE 34 -16.803 -4.863 -8.885 283 HB ILE 34 HB ILE 34 -19.158 -6.149 -10.284 284 1HG1 ILE 34 2HG1 ILE 34 -19.443 -3.568 -8.907 285 2HG1 ILE 34 1HG1 ILE 34 -18.252 -3.538 -10.210 286 1HG2 ILE 34 3HG2 ILE 34 -18.879 -5.310 -7.382 287 2HG2 ILE 34 2HG2 ILE 34 -20.400 -5.745 -8.162 288 3HG2 ILE 34 1HG2 ILE 34 -19.129 -6.953 -7.973 289 1HD1 ILE 34 1HD1 ILE 34 -19.996 -4.664 -11.676 290 2HD1 ILE 34 3HD1 ILE 34 -21.163 -4.347 -10.393 291 3HD1 ILE 34 2HD1 ILE 34 -20.366 -3.004 -11.211 292 H HIS 35 H HIS 35 -16.813 -7.876 -10.668 293 HA HIS 35 HA HIS 35 -16.961 -9.606 -8.350 294 1HB HIS 35 2HB HIS 35 -16.176 -9.967 -11.233 295 2HB HIS 35 1HB HIS 35 -15.848 -11.250 -10.067 296 HD1 HIS 35 HD1 HIS 35 -18.058 -11.274 -12.433 297 HD2 HIS 35 HD2 HIS 35 -18.767 -10.705 -8.365 298 HE1 HIS 35 HE1 HIS 35 -20.474 -11.919 -12.028 299 H ALA 36 H ALA 36 -14.388 -7.939 -10.055 300 HA ALA 36 HA ALA 36 -12.277 -9.398 -8.620 301 1HB ALA 36 1HB ALA 36 -12.394 -7.275 -10.715 302 2HB ALA 36 3HB ALA 36 -10.943 -7.353 -9.716 303 3HB ALA 36 2HB ALA 36 -11.433 -8.752 -10.669 304 H GLY 37 H GLY 37 -14.343 -6.780 -7.976 305 1HA GLY 37 2HA GLY 37 -14.267 -5.044 -6.380 306 2HA GLY 37 1HA GLY 37 -13.520 -6.289 -5.377 307 NH1 ARG 38 NH2 ARG 38 -8.662 -6.473 -11.760 308 NH2 ARG 38 NH1 ARG 38 -9.941 -6.828 -13.588 309 H ARG 38 H ARG 38 -12.044 -5.107 -8.339 310 HA ARG 38 HA ARG 38 -9.615 -4.412 -6.882 311 1HB ARG 38 2HB ARG 38 -8.723 -3.832 -9.094 312 2HB ARG 38 1HB ARG 38 -9.559 -5.382 -9.170 313 1HG ARG 38 2HG ARG 38 -11.563 -4.285 -10.068 314 2HG ARG 38 1HG ARG 38 -10.770 -2.714 -9.950 315 1HD ARG 38 2HD ARG 38 -10.207 -3.143 -12.124 316 2HD ARG 38 1HD ARG 38 -8.906 -4.073 -11.378 317 HE ARG 38 HE ARG 38 -11.487 -5.341 -12.210 318 1HH1 ARG 38 1HH2 ARG 38 -8.482 -5.973 -10.913 319 2HH1 ARG 38 2HH2 ARG 38 -8.041 -7.200 -12.053 320 1HH2 ARG 38 2HH1 ARG 38 -10.743 -6.601 -14.142 321 2HH2 ARG 38 1HH1 ARG 38 -9.319 -7.554 -13.882 322 H LYS 39 H LYS 39 -8.923 -2.081 -8.520 323 HA LYS 39 HA LYS 39 -10.613 -0.070 -7.098 324 1HB LYS 39 2HB LYS 39 -7.779 0.132 -8.160 325 2HB LYS 39 1HB LYS 39 -8.661 1.449 -7.386 326 1HG LYS 39 2HG LYS 39 -8.650 -1.080 -5.864 327 2HG LYS 39 1HG LYS 39 -7.066 -0.326 -6.046 328 1HD LYS 39 2HD LYS 39 -8.160 1.855 -5.301 329 2HD LYS 39 1HD LYS 39 -9.565 0.889 -4.850 330 1HE LYS 39 2HE LYS 39 -7.404 -0.496 -3.750 331 2HE LYS 39 1HE LYS 39 -7.025 1.202 -3.460 332 1HZ LYS 39 2HZ LYS 39 -9.680 1.015 -2.897 333 2HZ LYS 39 1HZ LYS 39 -9.051 -0.438 -2.280 334 3HZ LYS 39 3HZ LYS 39 -8.421 1.048 -1.755 335 H ILE 40 H ILE 40 -12.220 -0.102 -8.782 336 HA ILE 40 HA ILE 40 -11.325 1.278 -11.284 337 HB ILE 40 HB ILE 40 -13.638 -0.646 -10.863 338 1HG1 ILE 40 2HG1 ILE 40 -11.496 -1.016 -12.912 339 2HG1 ILE 40 1HG1 ILE 40 -11.072 -1.325 -11.227 340 1HG2 ILE 40 3HG2 ILE 40 -12.789 0.924 -13.317 341 2HG2 ILE 40 2HG2 ILE 40 -14.019 -0.341 -13.303 342 3HG2 ILE 40 1HG2 ILE 40 -14.279 1.152 -12.400 343 1HD1 ILE 40 2HD1 ILE 40 -13.574 -2.498 -12.431 344 2HD1 ILE 40 1HD1 ILE 40 -12.015 -3.301 -12.617 345 3HD1 ILE 40 3HD1 ILE 40 -12.682 -3.033 -11.007 346 H PHE 41 H PHE 41 -11.831 3.404 -10.940 347 HA PHE 41 HA PHE 41 -14.409 4.014 -9.570 348 1HB PHE 41 2HB PHE 41 -12.196 5.982 -10.164 349 2HB PHE 41 1HB PHE 41 -13.472 6.104 -8.951 350 HD1 PHE 41 HD1 PHE 41 -13.430 3.389 -7.765 351 HD2 PHE 41 HD2 PHE 41 -10.184 5.960 -8.911 352 HE1 PHE 41 HE1 PHE 41 -11.967 2.283 -6.102 353 HE2 PHE 41 HE2 PHE 41 -8.720 4.851 -7.247 354 HZ PHE 41 HZ PHE 41 -9.611 3.012 -5.842 355 H LEU 42 H LEU 42 -15.837 5.572 -10.531 356 HA LEU 42 HA LEU 42 -15.409 5.891 -13.475 357 1HB LEU 42 2HB LEU 42 -17.636 4.891 -11.945 358 2HB LEU 42 1HB LEU 42 -18.133 6.336 -12.824 359 HG LEU 42 HG LEU 42 -17.451 5.400 -14.924 360 1HD1 LEU 42 3HD1 LEU 42 -16.081 3.370 -13.172 361 2HD1 LEU 42 2HD1 LEU 42 -16.504 2.970 -14.837 362 3HD1 LEU 42 1HD1 LEU 42 -15.410 4.313 -14.504 363 1HD2 LEU 42 1HD2 LEU 42 -19.439 4.286 -13.340 364 2HD2 LEU 42 3HD2 LEU 42 -19.238 4.012 -15.071 365 3HD2 LEU 42 2HD2 LEU 42 -18.547 2.877 -13.911 366 H THR 43 H THR 43 -14.824 7.955 -13.923 367 HA THR 43 HA THR 43 -15.895 10.146 -12.208 368 HB THR 43 HB THR 43 -13.568 10.066 -14.154 369 HG1 THR 43 HG1 THR 43 -12.634 10.740 -11.956 370 1HG2 THR 43 3HG2 THR 43 -15.151 12.278 -13.387 371 2HG2 THR 43 2HG2 THR 43 -13.658 12.394 -12.455 372 3HG2 THR 43 1HG2 THR 43 -13.595 12.312 -14.216 373 H ILE 44 H ILE 44 -17.797 10.876 -13.054 374 HA ILE 44 HA ILE 44 -18.082 11.034 -16.014 375 HB ILE 44 HB ILE 44 -20.270 11.655 -14.042 376 1HG1 ILE 44 2HG1 ILE 44 -20.592 8.980 -14.721 377 2HG1 ILE 44 1HG1 ILE 44 -18.865 9.108 -14.386 378 1HG2 ILE 44 3HG2 ILE 44 -20.547 12.007 -16.519 379 2HG2 ILE 44 2HG2 ILE 44 -20.293 10.275 -16.742 380 3HG2 ILE 44 1HG2 ILE 44 -21.690 10.852 -15.833 381 1HD1 ILE 44 1HD1 ILE 44 -19.521 10.362 -12.253 382 2HD1 ILE 44 3HD1 ILE 44 -21.168 9.808 -12.557 383 3HD1 ILE 44 2HD1 ILE 44 -19.879 8.635 -12.282 384 H ASN 45 H ASN 45 -17.722 12.989 -16.961 385 HA ASN 45 HA ASN 45 -17.309 15.367 -15.359 386 1HB ASN 45 2HB ASN 45 -16.964 14.582 -18.141 387 2HB ASN 45 1HB ASN 45 -17.615 16.214 -17.993 388 1HD2 ASN 45 2HD2 ASN 45 -14.251 17.242 -17.560 389 2HD2 ASN 45 1HD2 ASN 45 -15.615 17.280 -18.569 390 H ALA 46 H ALA 46 -18.589 17.215 -15.287 391 HA ALA 46 HA ALA 46 -21.326 16.998 -14.925 392 1HB ALA 46 3HB ALA 46 -19.546 19.029 -14.703 393 2HB ALA 46 2HB ALA 46 -20.457 19.566 -16.115 394 3HB ALA 46 1HB ALA 46 -21.292 19.250 -14.594 395 H ASP 47 H ASP 47 -19.677 17.091 -17.982 396 HA ASP 47 HA ASP 47 -22.098 17.870 -19.459 397 1HB ASP 47 2HB ASP 47 -19.295 17.756 -20.014 398 2HB ASP 47 1HB ASP 47 -20.125 16.724 -21.179 399 H GLY 48 H GLY 48 -22.253 15.478 -17.777 400 1HA GLY 48 2HA GLY 48 -23.003 13.262 -17.906 401 2HA GLY 48 1HA GLY 48 -23.647 13.724 -19.485 402 H SER 49 H SER 49 -20.238 14.054 -18.891 403 HA SER 49 HA SER 49 -19.738 11.982 -20.956 404 1HB SER 49 2HB SER 49 -17.789 13.853 -19.587 405 2HB SER 49 1HB SER 49 -17.455 12.852 -20.994 406 HG SER 49 HG SER 49 -18.618 15.279 -20.845 407 H VAL 50 H VAL 50 -18.208 10.254 -20.576 408 HA VAL 50 HA VAL 50 -18.092 9.490 -17.691 409 HB VAL 50 HB VAL 50 -17.806 7.648 -20.075 410 1HG1 VAL 50 1HG1 VAL 50 -18.400 7.192 -17.134 411 2HG1 VAL 50 3HG1 VAL 50 -18.364 5.931 -18.365 412 3HG1 VAL 50 2HG1 VAL 50 -16.890 6.808 -17.958 413 1HG2 VAL 50 3HG2 VAL 50 -20.025 8.781 -20.065 414 2HG2 VAL 50 2HG2 VAL 50 -20.161 7.059 -19.710 415 3HG2 VAL 50 1HG2 VAL 50 -20.273 8.238 -18.404 416 OH TYR 51 OH TYR 51 -7.904 10.033 -16.905 417 H TYR 51 H TYR 51 -16.146 8.689 -16.844 418 HA TYR 51 HA TYR 51 -13.742 8.588 -18.540 419 1HB TYR 51 2HB TYR 51 -13.879 10.982 -17.930 420 2HB TYR 51 1HB TYR 51 -13.982 10.543 -16.226 421 HD1 TYR 51 HD2 TYR 51 -11.876 8.994 -18.889 422 HD2 TYR 51 HD1 TYR 51 -11.959 11.384 -15.320 423 HE1 TYR 51 HE2 TYR 51 -9.400 8.898 -18.765 424 HE2 TYR 51 HE1 TYR 51 -9.484 11.288 -15.197 425 HH TYR 51 HH TYR 51 -7.556 10.811 -17.347 426 H ALA 52 H ALA 52 -14.045 6.334 -17.766 427 HA ALA 52 HA ALA 52 -13.815 5.791 -14.911 428 1HB ALA 52 2HB ALA 52 -14.929 4.318 -16.736 429 2HB ALA 52 1HB ALA 52 -13.287 3.778 -17.092 430 3HB ALA 52 3HB ALA 52 -13.975 3.513 -15.491 431 H GLU 53 H GLU 53 -11.976 5.098 -13.805 432 HA GLU 53 HA GLU 53 -9.434 4.942 -15.334 433 1HB GLU 53 2HB GLU 53 -10.228 7.116 -13.624 434 2HB GLU 53 1HB GLU 53 -8.852 6.276 -12.907 435 1HG GLU 53 2HG GLU 53 -7.792 6.372 -15.249 436 2HG GLU 53 1HG GLU 53 -9.041 7.558 -15.632 437 H GLU 54 H GLU 54 -7.734 3.875 -14.131 438 HA GLU 54 HA GLU 54 -8.806 2.045 -12.022 439 1HB GLU 54 2HB GLU 54 -7.886 1.009 -14.162 440 2HB GLU 54 1HB GLU 54 -6.309 1.659 -13.709 441 1HG GLU 54 2HG GLU 54 -5.993 -0.191 -12.464 442 2HG GLU 54 1HG GLU 54 -7.268 0.391 -11.392 443 H VAL 55 H VAL 55 -7.430 1.781 -10.116 444 HA VAL 55 HA VAL 55 -5.048 3.478 -9.924 445 HB VAL 55 HB VAL 55 -6.810 4.178 -7.713 446 1HG1 VAL 55 3HG1 VAL 55 -4.637 5.247 -8.613 447 2HG1 VAL 55 2HG1 VAL 55 -5.664 5.981 -9.845 448 3HG1 VAL 55 1HG1 VAL 55 -5.939 6.338 -8.139 449 1HG2 VAL 55 3HG2 VAL 55 -8.567 3.905 -9.464 450 2HG2 VAL 55 2HG2 VAL 55 -8.366 5.588 -8.978 451 3HG2 VAL 55 1HG2 VAL 55 -7.677 5.022 -10.499 452 H LYS 56 H LYS 56 -3.700 2.059 -8.999 453 HA LYS 56 HA LYS 56 -4.422 0.896 -6.394 454 1HB LYS 56 2HB LYS 56 -5.232 -0.848 -7.822 455 2HB LYS 56 1HB LYS 56 -3.812 -0.750 -8.858 456 1HG LYS 56 2HG LYS 56 -3.100 -2.521 -7.595 457 2HG LYS 56 1HG LYS 56 -2.635 -1.266 -6.448 458 1HD LYS 56 2HD LYS 56 -5.199 -1.531 -5.720 459 2HD LYS 56 1HD LYS 56 -4.939 -3.154 -6.359 460 1HE LYS 56 2HE LYS 56 -2.845 -2.035 -4.551 461 2HE LYS 56 1HE LYS 56 -4.365 -2.546 -3.819 462 1HZ LYS 56 3HZ LYS 56 -2.668 -4.215 -5.594 463 2HZ LYS 56 2HZ LYS 56 -2.747 -4.348 -3.901 464 3HZ LYS 56 1HZ LYS 56 -4.111 -4.703 -4.850 465 HA PRO 57 HA PRO 57 -0.138 1.944 -5.992 466 1HB PRO 57 2HB PRO 57 0.168 1.006 -3.426 467 2HB PRO 57 1HB PRO 57 -0.618 2.544 -3.824 468 1HG PRO 57 2HG PRO 57 -1.855 -0.031 -2.964 469 2HG PRO 57 1HG PRO 57 -2.452 1.625 -2.760 470 1HD PRO 57 2HD PRO 57 -3.348 -0.224 -4.702 471 2HD PRO 57 1HD PRO 57 -3.668 1.523 -4.702 472 H PHE 58 H PHE 58 1.936 0.856 -5.740 473 HA PHE 58 HA PHE 58 1.828 -2.126 -5.786 474 1HB PHE 58 2HB PHE 58 2.052 -1.687 -8.086 475 2HB PHE 58 1HB PHE 58 3.034 -0.251 -7.815 476 HD1 PHE 58 HD2 PHE 58 5.392 -0.595 -6.796 477 HD2 PHE 58 HD1 PHE 58 3.067 -3.763 -8.535 478 HE1 PHE 58 HE2 PHE 58 7.448 -1.954 -7.072 479 HE2 PHE 58 HE1 PHE 58 5.124 -5.119 -8.813 480 HZ PHE 58 HZ PHE 58 7.314 -4.215 -8.081 481 HA PRO 59 HA PRO 59 3.220 -3.610 -6.060 482 1HB PRO 59 2HB PRO 59 4.263 -5.483 -4.346 483 2HB PRO 59 1HB PRO 59 5.178 -4.770 -5.685 484 1HG PRO 59 2HG PRO 59 5.428 -4.260 -2.766 485 2HG PRO 59 1HG PRO 59 6.626 -4.033 -4.049 486 1HD PRO 59 2HD PRO 59 5.059 -1.998 -2.812 487 2HD PRO 59 1HD PRO 59 6.097 -1.817 -4.243 488 H SER 60 H SER 60 3.474 -4.748 -2.753 489 HA SER 60 HA SER 60 0.545 -5.071 -2.650 490 1HB SER 60 2HB SER 60 1.574 -5.938 -0.221 491 2HB SER 60 1HB SER 60 1.260 -6.955 -1.624 492 HG SER 60 HG SER 60 3.373 -7.264 -1.205 493 H ASN 61 H ASN 61 -0.713 -4.266 -0.831 494 HA ASN 61 HA ASN 61 0.512 -2.248 0.921 495 1HB ASN 61 2HB ASN 61 -1.530 -1.523 -1.198 496 2HB ASN 61 1HB ASN 61 -1.142 -0.489 0.179 497 1HD2 ASN 61 2HD2 ASN 61 1.473 -0.767 -2.939 498 2HD2 ASN 61 1HD2 ASN 61 0.093 -1.755 -2.880 499 H LYS 62 H LYS 62 -1.219 -1.347 2.439 500 HA LYS 62 HA LYS 62 -3.559 -3.170 2.698 501 1HB LYS 62 2HB LYS 62 -1.308 -2.812 4.631 502 2HB LYS 62 1HB LYS 62 -2.937 -2.963 5.292 503 1HG LYS 62 2HG LYS 62 -2.890 -5.184 4.949 504 2HG LYS 62 1HG LYS 62 -2.613 -4.923 3.227 505 1HD LYS 62 2HD LYS 62 -0.466 -4.966 5.371 506 2HD LYS 62 1HD LYS 62 -0.790 -6.259 4.215 507 1HE LYS 62 2HE LYS 62 0.044 -5.046 2.416 508 2HE LYS 62 1HE LYS 62 -0.277 -3.491 3.182 509 1HZ LYS 62 3HZ LYS 62 1.497 -4.788 4.839 510 2HZ LYS 62 2HZ LYS 62 2.074 -5.080 3.268 511 3HZ LYS 62 1HZ LYS 62 1.834 -3.486 3.807 512 H LYS 63 H LYS 63 -4.674 -1.212 1.920 513 HA LYS 63 HA LYS 63 -5.930 0.734 2.294 514 1HB LYS 63 2HB LYS 63 -6.140 -0.809 4.582 515 2HB LYS 63 1HB LYS 63 -5.612 0.752 5.210 516 1HG LYS 63 2HG LYS 63 -7.467 1.626 3.482 517 2HG LYS 63 1HG LYS 63 -8.143 0.030 3.810 518 1HD LYS 63 2HD LYS 63 -9.090 1.085 5.598 519 2HD LYS 63 1HD LYS 63 -7.508 0.822 6.334 520 1HE LYS 63 2HE LYS 63 -7.819 3.117 6.668 521 2HE LYS 63 1HE LYS 63 -6.884 3.086 5.174 522 1HZ LYS 63 3HZ LYS 63 -9.837 3.059 5.139 523 2HZ LYS 63 2HZ LYS 63 -8.969 4.516 5.231 524 3HZ LYS 63 1HZ LYS 63 -8.768 3.488 3.893 525 H THR 64 H THR 64 -5.756 2.964 3.490 526 HA THR 64 HA THR 64 -2.905 3.773 3.329 527 HB THR 64 HB THR 64 -4.272 6.101 3.687 528 HG1 THR 64 HG1 THR 64 -6.157 5.767 2.290 529 1HG2 THR 64 1HG2 THR 64 -2.925 4.783 1.628 530 2HG2 THR 64 3HG2 THR 64 -4.478 5.223 0.919 531 3HG2 THR 64 2HG2 THR 64 -3.446 6.468 1.624 532 H THR 65 H THR 65 -2.988 2.435 5.557 533 HA THR 65 HA THR 65 -3.449 4.444 7.727 534 HB THR 65 HB THR 65 -3.309 1.573 8.455 535 HG1 THR 65 HG1 THR 65 -4.674 1.151 6.885 536 1HG2 THR 65 1HG2 THR 65 -4.313 4.067 9.484 537 2HG2 THR 65 3HG2 THR 65 -5.621 2.886 9.427 538 3HG2 THR 65 2HG2 THR 65 -4.141 2.522 10.314 539 H ALA 66 HN ALA 66 -2.080 3.083 9.755 540 HA ALA 66 HA ALA 66 0.542 2.213 8.913 541 1HB ALA 66 1HB ALA 66 0.070 5.097 9.348 542 2HB ALA 66 3HB ALA 66 1.449 4.436 10.226 543 3HB ALA 66 2HB ALA 66 1.369 4.288 8.470 544 1H MET 1 1H MET 1 14.868 16.368 -13.124 545 2H MET 1 3H MET 1 15.849 17.609 -13.736 546 3H MET 1 2H MET 1 15.319 17.663 -12.122 547 HA MET 1 HA MET 1 13.807 19.083 -12.992 548 1HB MET 1 2HB MET 1 13.041 18.972 -15.323 549 2HB MET 1 1HB MET 1 14.803 18.949 -15.260 550 1HG MET 1 2HG MET 1 14.146 16.266 -15.077 551 2HG MET 1 1HG MET 1 12.946 16.888 -16.209 552 1HE MET 1 3HE MET 1 14.242 19.296 -17.376 553 2HE MET 1 2HE MET 1 15.154 18.780 -18.791 554 3HE MET 1 1HE MET 1 13.543 18.127 -18.505 555 H GLU 2 H GLU 2 12.511 18.066 -11.345 556 HA GLU 2 HA GLU 2 10.586 16.953 -10.595 557 1HB GLU 2 2HB GLU 2 9.987 16.627 -13.550 558 2HB GLU 2 1HB GLU 2 8.832 16.529 -12.222 559 1HG GLU 2 2HG GLU 2 10.171 18.996 -11.904 560 2HG GLU 2 1HG GLU 2 9.778 18.870 -13.620 561 H GLN 3 H GLN 3 11.170 15.034 -9.669 562 HA GLN 3 HA GLN 3 12.358 12.879 -11.244 563 1HB GLN 3 2HB GLN 3 11.652 13.296 -8.359 564 2HB GLN 3 1HB GLN 3 11.947 11.656 -8.937 565 1HG GLN 3 2HG GLN 3 14.122 12.493 -9.922 566 2HG GLN 3 1HG GLN 3 13.842 14.014 -9.075 567 1HE2 GLN 3 2HE2 GLN 3 15.892 11.765 -6.868 568 2HE2 GLN 3 1HE2 GLN 3 16.104 12.395 -8.431 569 NH1 ARG 4 NH2 ARG 4 4.446 13.953 -11.044 570 NH2 ARG 4 NH1 ARG 4 4.989 15.137 -9.198 571 H ARG 4 H ARG 4 10.515 12.623 -12.750 572 HA ARG 4 HA ARG 4 8.448 10.812 -11.578 573 1HB ARG 4 2HB ARG 4 7.995 13.038 -13.594 574 2HB ARG 4 1HB ARG 4 6.793 11.817 -13.173 575 1HG ARG 4 2HG ARG 4 8.091 13.712 -11.191 576 2HG ARG 4 1HG ARG 4 6.486 13.932 -11.887 577 1HD ARG 4 2HD ARG 4 5.966 11.573 -10.996 578 2HD ARG 4 1HD ARG 4 7.433 11.745 -10.033 579 HE ARG 4 HE ARG 4 5.974 12.893 -8.572 580 1HH1 ARG 4 1HH2 ARG 4 4.536 13.127 -11.601 581 2HH1 ARG 4 2HH2 ARG 4 3.849 14.697 -11.345 582 1HH2 ARG 4 2HH1 ARG 4 5.493 15.219 -8.338 583 2HH2 ARG 4 1HH1 ARG 4 4.394 15.882 -9.501 584 H ILE 5 H ILE 5 9.013 8.859 -12.478 585 HA ILE 5 HA ILE 5 9.251 8.740 -15.439 586 HB ILE 5 HB ILE 5 11.201 7.322 -13.611 587 1HG1 ILE 5 2HG1 ILE 5 12.650 9.180 -15.042 588 2HG1 ILE 5 1HG1 ILE 5 11.183 10.075 -14.647 589 1HG2 ILE 5 3HG2 ILE 5 10.717 7.494 -16.549 590 2HG2 ILE 5 2HG2 ILE 5 12.395 7.438 -16.009 591 3HG2 ILE 5 1HG2 ILE 5 11.288 6.134 -15.581 592 1HD1 ILE 5 2HD1 ILE 5 12.334 8.467 -12.441 593 2HD1 ILE 5 1HD1 ILE 5 13.291 9.856 -12.953 594 3HD1 ILE 5 3HD1 ILE 5 11.629 10.082 -12.406 595 H THR 6 H THR 6 8.660 6.665 -16.293 596 HA THR 6 HA THR 6 6.753 5.214 -14.663 597 HB THR 6 HB THR 6 7.859 4.116 -17.228 598 HG1 THR 6 HG1 THR 6 5.827 5.893 -17.553 599 1HG2 THR 6 1HG2 THR 6 5.117 4.301 -15.955 600 2HG2 THR 6 3HG2 THR 6 5.421 3.617 -17.552 601 3HG2 THR 6 2HG2 THR 6 6.113 2.855 -16.118 602 H LEU 7 H LEU 7 6.938 3.056 -13.903 603 HA LEU 7 HA LEU 7 9.383 2.271 -12.745 604 1HB LEU 7 2HB LEU 7 7.226 1.338 -12.027 605 2HB LEU 7 1HB LEU 7 7.039 0.536 -13.586 606 HG LEU 7 HG LEU 7 9.266 -0.628 -13.090 607 1HD1 LEU 7 2HD1 LEU 7 8.605 0.477 -10.344 608 2HD1 LEU 7 1HD1 LEU 7 9.786 -0.798 -10.641 609 3HD1 LEU 7 3HD1 LEU 7 10.050 0.818 -11.297 610 1HD2 LEU 7 2HD2 LEU 7 6.803 -1.128 -11.392 611 2HD2 LEU 7 1HD2 LEU 7 7.188 -1.860 -12.950 612 3HD2 LEU 7 3HD2 LEU 7 8.143 -2.267 -11.524 613 H LYS 8 H LYS 8 8.252 1.911 -15.995 614 HA LYS 8 HA LYS 8 10.159 -0.230 -16.639 615 1HB LYS 8 2HB LYS 8 9.148 -0.278 -18.766 616 2HB LYS 8 1HB LYS 8 7.821 0.148 -17.687 617 1HG LYS 8 2HG LYS 8 8.429 2.602 -18.196 618 2HG LYS 8 1HG LYS 8 9.381 1.956 -19.534 619 1HD LYS 8 2HD LYS 8 7.507 1.174 -20.672 620 2HD LYS 8 1HD LYS 8 6.540 1.050 -19.202 621 1HE LYS 8 2HE LYS 8 6.903 3.685 -19.159 622 2HE LYS 8 1HE LYS 8 7.121 3.448 -20.894 623 1HZ LYS 8 3HZ LYS 8 4.816 2.308 -19.430 624 2HZ LYS 8 2HZ LYS 8 4.779 3.875 -20.084 625 3HZ LYS 8 1HZ LYS 8 4.993 2.532 -21.102 626 H ASP 9 H ASP 9 9.922 3.267 -16.975 627 HA ASP 9 HA ASP 9 12.241 3.452 -18.739 628 1HB ASP 9 2HB ASP 9 10.561 5.448 -17.229 629 2HB ASP 9 1HB ASP 9 12.060 5.943 -18.015 630 OH TYR 10 OH TYR 10 16.881 3.553 -8.950 631 H TYR 10 H TYR 10 11.695 3.402 -15.290 632 HA TYR 10 HA TYR 10 14.350 4.480 -14.655 633 1HB TYR 10 2HB TYR 10 12.533 4.862 -13.076 634 2HB TYR 10 1HB TYR 10 12.240 3.129 -12.943 635 HD1 TYR 10 HD2 TYR 10 15.675 4.331 -13.274 636 HD2 TYR 10 HD1 TYR 10 12.602 3.239 -10.483 637 HE1 TYR 10 HE2 TYR 10 17.367 4.188 -11.468 638 HE2 TYR 10 HE1 TYR 10 14.293 3.095 -8.677 639 HH TYR 10 HH TYR 10 16.648 2.814 -8.383 640 H ALA 11 H ALA 11 12.829 1.317 -14.981 641 HA ALA 11 HA ALA 11 15.161 -0.087 -13.903 642 1HB ALA 11 1HB ALA 11 12.470 -0.799 -14.884 643 2HB ALA 11 3HB ALA 11 13.718 -1.996 -15.233 644 3HB ALA 11 2HB ALA 11 13.412 -1.500 -13.568 645 H MET 12 H MET 12 13.971 0.871 -17.080 646 HA MET 12 HA MET 12 16.023 -0.784 -18.412 647 1HB MET 12 2HB MET 12 14.973 -0.202 -20.459 648 2HB MET 12 1HB MET 12 13.649 -0.401 -19.310 649 1HG MET 12 2HG MET 12 13.604 2.039 -18.938 650 2HG MET 12 1HG MET 12 14.923 2.235 -20.090 651 1HE MET 12 1HE MET 12 14.926 2.292 -22.253 652 2HE MET 12 3HE MET 12 13.560 2.374 -23.373 653 3HE MET 12 2HE MET 12 13.799 3.644 -22.175 654 NH1 ARG 13 NH1 ARG 13 15.059 6.467 -23.186 655 NH2 ARG 13 NH2 ARG 13 17.082 5.731 -23.875 656 H ARG 13 H ARG 13 15.374 2.642 -17.763 657 HA ARG 13 HA ARG 13 17.720 3.488 -19.305 658 1HB ARG 13 2HB ARG 13 15.940 5.040 -17.402 659 2HB ARG 13 1HB ARG 13 17.180 5.744 -18.438 660 1HG ARG 13 2HG ARG 13 15.407 4.013 -19.955 661 2HG ARG 13 1HG ARG 13 14.507 5.288 -19.132 662 1HD ARG 13 2HD ARG 13 15.162 6.692 -20.769 663 2HD ARG 13 1HD ARG 13 16.805 6.549 -20.142 664 HE ARG 13 HE ARG 13 16.796 4.403 -21.715 665 1HH1 ARG 13 2HH1 ARG 13 14.359 6.537 -22.475 666 2HH1 ARG 13 1HH1 ARG 13 14.907 6.886 -24.081 667 1HH2 ARG 13 1HH2 ARG 13 17.933 5.239 -23.692 668 2HH2 ARG 13 2HH2 ARG 13 16.929 6.151 -24.770 669 H PHE 14 H PHE 14 16.959 2.780 -15.950 670 HA PHE 14 HA PHE 14 19.736 3.610 -15.223 671 1HB PHE 14 2HB PHE 14 17.352 3.172 -13.399 672 2HB PHE 14 1HB PHE 14 18.939 3.762 -12.912 673 HD1 PHE 14 HD2 PHE 14 16.326 4.548 -15.514 674 HD2 PHE 14 HD1 PHE 14 19.170 6.055 -12.667 675 HE1 PHE 14 HE2 PHE 14 15.651 6.869 -16.065 676 HE2 PHE 14 HE1 PHE 14 18.493 8.376 -13.219 677 HZ PHE 14 HZ PHE 14 16.733 8.782 -14.917 678 H GLY 15 H GLY 15 17.413 0.973 -15.187 679 1HA GLY 15 2HA GLY 15 18.609 -1.274 -15.463 680 2HA GLY 15 1HA GLY 15 19.537 -0.792 -14.042 681 H GLN 16 H GLN 16 17.439 -2.994 -14.640 682 HA GLN 16 HA GLN 16 15.187 -2.414 -12.924 683 1HB GLN 16 2HB GLN 16 16.275 -5.150 -13.634 684 2HB GLN 16 1HB GLN 16 14.621 -4.737 -13.182 685 1HG GLN 16 2HG GLN 16 14.120 -4.287 -15.327 686 2HG GLN 16 1HG GLN 16 15.414 -3.092 -15.397 687 1HE2 GLN 16 2HE2 GLN 16 16.796 -5.270 -17.856 688 2HE2 GLN 16 1HE2 GLN 16 15.957 -3.815 -17.610 689 H THR 17 H THR 17 18.455 -3.329 -12.338 690 HA THR 17 HA THR 17 18.012 -4.640 -9.784 691 HB THR 17 HB THR 17 20.522 -3.276 -10.808 692 HG1 THR 17 HG1 THR 17 19.765 -4.875 -12.234 693 1HG2 THR 17 1HG2 THR 17 20.008 -5.370 -8.681 694 2HG2 THR 17 3HG2 THR 17 21.612 -4.960 -9.290 695 3HG2 THR 17 2HG2 THR 17 20.654 -3.746 -8.441 696 H LYS 18 H LYS 18 18.553 -1.322 -10.848 697 HA LYS 18 HA LYS 18 18.875 -0.327 -8.112 698 1HB LYS 18 2HB LYS 18 18.402 1.154 -10.718 699 2HB LYS 18 1HB LYS 18 18.831 1.906 -9.181 700 1HG LYS 18 2HG LYS 18 21.013 1.384 -9.427 701 2HG LYS 18 1HG LYS 18 20.638 -0.279 -9.877 702 1HD LYS 18 2HD LYS 18 20.805 0.165 -12.093 703 2HD LYS 18 1HD LYS 18 19.911 1.679 -11.942 704 1HE LYS 18 2HE LYS 18 22.212 2.141 -12.645 705 2HE LYS 18 1HE LYS 18 21.946 2.763 -11.016 706 1HZ LYS 18 3HZ LYS 18 23.047 0.061 -11.490 707 2HZ LYS 18 2HZ LYS 18 24.047 1.432 -11.419 708 3HZ LYS 18 1HZ LYS 18 23.109 0.992 -10.074 709 H THR 19 H THR 19 16.290 -0.621 -10.488 710 HA THR 19 HA THR 19 14.393 1.010 -9.031 711 HB THR 19 HB THR 19 13.756 -1.237 -10.962 712 HG1 THR 19 HG1 THR 19 15.218 0.145 -11.942 713 1HG2 THR 19 1HG2 THR 19 12.243 0.822 -9.568 714 2HG2 THR 19 3HG2 THR 19 12.048 0.942 -11.316 715 3HG2 THR 19 2HG2 THR 19 11.658 -0.565 -10.486 716 H ALA 20 H ALA 20 15.169 -2.447 -9.116 717 HA ALA 20 HA ALA 20 13.046 -3.124 -7.213 718 1HB ALA 20 2HB ALA 20 14.817 -4.549 -8.961 719 2HB ALA 20 1HB ALA 20 15.040 -5.163 -7.323 720 3HB ALA 20 3HB ALA 20 13.438 -5.176 -8.059 721 H LYS 21 H LYS 21 16.408 -2.211 -7.132 722 HA LYS 21 HA LYS 21 16.906 -3.129 -4.418 723 1HB LYS 21 2HB LYS 21 18.338 -1.382 -6.397 724 2HB LYS 21 1HB LYS 21 18.833 -1.345 -4.704 725 1HG LYS 21 2HG LYS 21 18.426 -4.066 -5.714 726 2HG LYS 21 1HG LYS 21 19.692 -3.191 -6.579 727 1HD LYS 21 2HD LYS 21 19.509 -3.474 -3.564 728 2HD LYS 21 1HD LYS 21 20.603 -4.382 -4.608 729 1HE LYS 21 2HE LYS 21 21.395 -2.051 -5.438 730 2HE LYS 21 1HE LYS 21 20.620 -1.435 -3.979 731 1HZ LYS 21 3HZ LYS 21 21.956 -3.244 -2.798 732 2HZ LYS 21 2HZ LYS 21 22.891 -3.306 -4.215 733 3HZ LYS 21 1HZ LYS 21 22.789 -1.863 -3.323 734 H ASP 22 H ASP 22 15.648 -0.223 -5.919 735 HA ASP 22 HA ASP 22 15.804 1.353 -3.452 736 1HB ASP 22 2HB ASP 22 15.609 2.014 -6.108 737 2HB ASP 22 1HB ASP 22 13.946 2.240 -5.567 738 H LEU 23 H LEU 23 13.371 -0.468 -5.249 739 HA LEU 23 HA LEU 23 11.285 0.217 -3.270 740 1HB LEU 23 2HB LEU 23 11.280 -1.474 -5.782 741 2HB LEU 23 1HB LEU 23 9.870 -1.284 -4.738 742 HG LEU 23 HG LEU 23 11.241 1.216 -5.583 743 1HD1 LEU 23 3HD1 LEU 23 10.092 -0.769 -7.461 744 2HD1 LEU 23 2HD1 LEU 23 9.529 0.889 -7.669 745 3HD1 LEU 23 1HD1 LEU 23 11.252 0.525 -7.762 746 1HD2 LEU 23 2HD2 LEU 23 8.468 0.226 -4.995 747 2HD2 LEU 23 1HD2 LEU 23 9.312 1.630 -4.341 748 3HD2 LEU 23 3HD2 LEU 23 8.665 1.674 -5.982 749 H GLY 24 H GLY 24 13.788 -1.981 -3.471 750 1HA GLY 24 2HA GLY 24 14.282 -3.896 -2.209 751 2HA GLY 24 1HA GLY 24 12.871 -3.511 -1.222 752 H VAL 25 H VAL 25 12.420 -3.854 -4.643 753 HA VAL 25 HA VAL 25 10.809 -6.291 -4.136 754 HB VAL 25 HB VAL 25 10.999 -4.920 -6.805 755 1HG1 VAL 25 1HG1 VAL 25 9.537 -7.049 -5.802 756 2HG1 VAL 25 3HG1 VAL 25 8.399 -5.706 -5.709 757 3HG1 VAL 25 2HG1 VAL 25 9.139 -6.128 -7.253 758 1HG2 VAL 25 3HG2 VAL 25 10.219 -3.648 -4.336 759 2HG2 VAL 25 2HG2 VAL 25 10.229 -2.976 -5.967 760 3HG2 VAL 25 1HG2 VAL 25 8.806 -3.831 -5.375 761 OH TYR 26 OH TYR 26 9.128 -10.734 -1.733 762 H TYR 26 H TYR 26 11.033 -8.138 -5.638 763 HA TYR 26 HA TYR 26 13.831 -8.809 -6.064 764 1HB TYR 26 2HB TYR 26 11.671 -10.453 -7.308 765 2HB TYR 26 1HB TYR 26 13.096 -10.969 -6.407 766 HD1 TYR 26 HD2 TYR 26 13.146 -10.566 -3.879 767 HD2 TYR 26 HD1 TYR 26 9.575 -10.233 -6.240 768 HE1 TYR 26 HE2 TYR 26 11.769 -10.774 -1.827 769 HE2 TYR 26 HE1 TYR 26 8.197 -10.438 -4.188 770 HH TYR 26 HH TYR 26 8.205 -10.669 -1.986 771 H GLN 27 H GLN 27 14.619 -9.588 -8.228 772 HA GLN 27 HA GLN 27 14.188 -7.568 -10.238 773 1HB GLN 27 2HB GLN 27 15.532 -10.280 -10.453 774 2HB GLN 27 1HB GLN 27 15.649 -8.988 -11.648 775 1HG GLN 27 2HG GLN 27 16.485 -7.518 -9.693 776 2HG GLN 27 1HG GLN 27 16.733 -9.039 -8.834 777 1HE2 GLN 27 2HE2 GLN 27 19.901 -8.288 -10.645 778 2HE2 GLN 27 1HE2 GLN 27 19.013 -7.553 -9.398 779 H SER 28 H SER 28 13.028 -10.879 -9.802 780 HA SER 28 HA SER 28 11.721 -11.025 -12.382 781 1HB SER 28 2HB SER 28 11.958 -12.699 -9.987 782 2HB SER 28 1HB SER 28 10.366 -12.794 -10.736 783 HG SER 28 HG SER 28 11.494 -13.169 -12.740 784 H ALA 29 H ALA 29 10.991 -9.405 -9.465 785 HA ALA 29 HA ALA 29 8.083 -9.444 -9.814 786 1HB ALA 29 1HB ALA 29 9.962 -7.913 -8.004 787 2HB ALA 29 3HB ALA 29 8.233 -7.565 -8.059 788 3HB ALA 29 2HB ALA 29 8.796 -9.159 -7.556 789 H ILE 30 H ILE 30 10.699 -7.083 -10.233 790 HA ILE 30 HA ILE 30 8.986 -5.086 -11.440 791 HB ILE 30 HB ILE 30 11.944 -5.495 -11.115 792 1HG1 ILE 30 2HG1 ILE 30 10.565 -2.907 -10.641 793 2HG1 ILE 30 1HG1 ILE 30 10.064 -4.249 -9.614 794 1HG2 ILE 30 1HG2 ILE 30 10.626 -3.542 -13.017 795 2HG2 ILE 30 3HG2 ILE 30 12.265 -3.330 -12.397 796 3HG2 ILE 30 2HG2 ILE 30 11.872 -4.733 -13.392 797 1HD1 ILE 30 2HD1 ILE 30 12.937 -4.238 -9.859 798 2HD1 ILE 30 1HD1 ILE 30 12.379 -2.649 -9.334 799 3HD1 ILE 30 3HD1 ILE 30 11.953 -4.086 -8.403 800 H ASN 31 H ASN 31 10.747 -7.878 -12.561 801 HA ASN 31 HA ASN 31 10.777 -7.199 -15.362 802 1HB ASN 31 2HB ASN 31 11.641 -9.373 -13.734 803 2HB ASN 31 1HB ASN 31 10.599 -10.039 -14.993 804 1HD2 ASN 31 2HD2 ASN 31 14.027 -9.817 -16.434 805 2HD2 ASN 31 1HD2 ASN 31 13.299 -10.675 -15.164 806 H LYS 32 H LYS 32 8.480 -8.989 -13.300 807 HA LYS 32 HA LYS 32 6.728 -9.679 -15.494 808 1HB LYS 32 2HB LYS 32 5.327 -10.617 -13.883 809 2HB LYS 32 1HB LYS 32 6.887 -10.684 -13.067 810 1HG LYS 32 2HG LYS 32 6.217 -8.304 -12.185 811 2HG LYS 32 1HG LYS 32 4.581 -8.820 -12.590 812 1HD LYS 32 2HD LYS 32 5.586 -11.027 -11.272 813 2HD LYS 32 1HD LYS 32 6.320 -9.689 -10.387 814 1HE LYS 32 2HE LYS 32 3.374 -10.170 -10.886 815 2HE LYS 32 1HE LYS 32 4.209 -10.121 -9.334 816 1HZ LYS 32 1HZ LYS 32 4.840 -7.735 -10.389 817 2HZ LYS 32 3HZ LYS 32 3.269 -7.953 -10.992 818 3HZ LYS 32 2HZ LYS 32 3.550 -8.000 -9.316 819 H ALA 33 H ALA 33 6.941 -6.961 -13.259 820 HA ALA 33 HA ALA 33 4.423 -5.762 -13.929 821 1HB ALA 33 3HB ALA 33 6.980 -4.794 -12.696 822 2HB ALA 33 2HB ALA 33 5.783 -3.607 -13.211 823 3HB ALA 33 1HB ALA 33 5.355 -4.828 -12.012 824 H ILE 34 H ILE 34 7.664 -5.507 -15.317 825 HA ILE 34 HA ILE 34 6.909 -3.457 -17.243 826 HB ILE 34 HB ILE 34 9.286 -5.324 -17.033 827 1HG1 ILE 34 2HG1 ILE 34 9.280 -2.318 -16.834 828 2HG1 ILE 34 1HG1 ILE 34 8.851 -3.305 -15.435 829 1HG2 ILE 34 2HG2 ILE 34 8.460 -3.390 -19.166 830 2HG2 ILE 34 1HG2 ILE 34 10.173 -3.525 -18.766 831 3HG2 ILE 34 3HG2 ILE 34 9.282 -4.942 -19.322 832 1HD1 ILE 34 2HD1 ILE 34 11.332 -4.006 -16.957 833 2HD1 ILE 34 1HD1 ILE 34 11.377 -2.610 -15.879 834 3HD1 ILE 34 3HD1 ILE 34 10.977 -4.205 -15.240 835 H HIS 35 H HIS 35 6.991 -6.959 -17.145 836 HA HIS 35 HA HIS 35 6.699 -7.437 -19.955 837 1HB HIS 35 2HB HIS 35 6.235 -8.997 -17.443 838 2HB HIS 35 1HB HIS 35 5.544 -9.612 -18.944 839 HD1 HIS 35 HD1 HIS 35 7.841 -11.155 -17.601 840 HD2 HIS 35 HD2 HIS 35 8.435 -8.236 -20.517 841 HE1 HIS 35 HE1 HIS 35 10.099 -11.635 -18.642 842 H ALA 36 H ALA 36 4.441 -6.568 -17.418 843 HA ALA 36 HA ALA 36 2.068 -7.232 -18.982 844 1HB ALA 36 1HB ALA 36 2.665 -6.281 -16.301 845 2HB ALA 36 3HB ALA 36 1.349 -5.354 -17.023 846 3HB ALA 36 2HB ALA 36 1.224 -7.109 -16.893 847 H GLY 37 H GLY 37 4.294 -4.626 -18.921 848 1HA GLY 37 2HA GLY 37 4.218 -2.460 -19.852 849 2HA GLY 37 1HA GLY 37 3.306 -3.265 -21.132 850 NH1 ARG 38 NH2 ARG 38 -2.032 -6.714 -14.493 851 NH2 ARG 38 NH1 ARG 38 -4.138 -6.161 -15.101 852 H ARG 38 H ARG 38 2.374 -2.794 -17.733 853 HA ARG 38 HA ARG 38 -0.189 -1.651 -18.655 854 1HB ARG 38 2HB ARG 38 0.865 -2.637 -16.009 855 2HB ARG 38 1HB ARG 38 -0.619 -1.687 -16.092 856 1HG ARG 38 2HG ARG 38 -1.631 -3.299 -17.600 857 2HG ARG 38 1HG ARG 38 -0.122 -4.206 -17.703 858 1HD ARG 38 2HD ARG 38 -0.339 -5.078 -15.562 859 2HD ARG 38 1HD ARG 38 -1.330 -3.729 -15.004 860 HE ARG 38 HE ARG 38 -2.829 -5.072 -16.984 861 1HH1 ARG 38 1HH2 ARG 38 -1.044 -6.606 -14.598 862 2HH1 ARG 38 2HH2 ARG 38 -2.396 -7.354 -13.817 863 1HH2 ARG 38 2HH1 ARG 38 -4.763 -5.630 -15.672 864 2HH2 ARG 38 1HH1 ARG 38 -4.501 -6.800 -14.423 865 H LYS 39 H LYS 39 -0.876 0.112 -16.701 866 HA LYS 39 HA LYS 39 0.966 2.365 -17.247 867 1HB LYS 39 2HB LYS 39 -1.728 2.391 -15.858 868 2HB LYS 39 1HB LYS 39 -0.843 3.787 -16.474 869 1HG LYS 39 2HG LYS 39 -1.646 1.501 -18.276 870 2HG LYS 39 1HG LYS 39 -2.727 2.860 -17.965 871 1HD LYS 39 2HD LYS 39 -0.276 4.065 -18.535 872 2HD LYS 39 1HD LYS 39 -0.377 2.730 -19.685 873 1HE LYS 39 2HE LYS 39 -2.836 3.574 -20.037 874 2HE LYS 39 1HE LYS 39 -2.221 5.078 -19.350 875 1HZ LYS 39 2HZ LYS 39 -0.853 3.692 -21.576 876 2HZ LYS 39 1HZ LYS 39 -2.088 4.827 -21.847 877 3HZ LYS 39 3HZ LYS 39 -0.662 5.299 -21.060 878 H ILE 40 H ILE 40 2.603 1.434 -15.795 879 HA ILE 40 HA ILE 40 1.968 1.926 -12.916 880 HB ILE 40 HB ILE 40 4.487 0.549 -13.759 881 1HG1 ILE 40 2HG1 ILE 40 1.849 -0.923 -13.548 882 2HG1 ILE 40 1HG1 ILE 40 2.543 -0.438 -15.096 883 1HG2 ILE 40 3HG2 ILE 40 3.826 1.126 -11.374 884 2HG2 ILE 40 2HG2 ILE 40 2.526 -0.054 -11.535 885 3HG2 ILE 40 1HG2 ILE 40 4.207 -0.572 -11.658 886 1HD1 ILE 40 2HD1 ILE 40 3.933 -2.176 -13.035 887 2HD1 ILE 40 1HD1 ILE 40 3.164 -2.767 -14.508 888 3HD1 ILE 40 3HD1 ILE 40 4.579 -1.720 -14.611 889 H PHE 41 H PHE 41 2.399 4.100 -12.724 890 HA PHE 41 HA PHE 41 4.828 5.218 -13.962 891 1HB PHE 41 2HB PHE 41 2.936 6.679 -12.118 892 2HB PHE 41 1HB PHE 41 3.933 7.338 -13.416 893 HD1 PHE 41 HD1 PHE 41 3.247 4.875 -15.307 894 HD2 PHE 41 HD2 PHE 41 0.880 7.686 -13.077 895 HE1 PHE 41 HE1 PHE 41 1.381 4.576 -16.906 896 HE2 PHE 41 HE2 PHE 41 -0.984 7.385 -14.680 897 HZ PHE 41 HZ PHE 41 -0.735 5.829 -16.595 898 H LEU 42 H LEU 42 6.371 6.478 -12.602 899 HA LEU 42 HA LEU 42 6.579 5.332 -9.846 900 1HB LEU 42 2HB LEU 42 8.303 4.857 -12.004 901 2HB LEU 42 1HB LEU 42 9.142 6.050 -11.015 902 HG LEU 42 HG LEU 42 8.692 4.593 -9.007 903 1HD1 LEU 42 2HD1 LEU 42 6.854 3.365 -10.578 904 2HD1 LEU 42 1HD1 LEU 42 8.223 2.273 -10.793 905 3HD1 LEU 42 3HD1 LEU 42 7.596 2.593 -9.178 906 1HD2 LEU 42 3HD2 LEU 42 10.245 3.398 -11.324 907 2HD2 LEU 42 2HD2 LEU 42 10.868 4.514 -10.110 908 3HD2 LEU 42 1HD2 LEU 42 10.401 2.878 -9.645 909 H THR 43 H THR 43 6.074 7.080 -8.574 910 HA THR 43 HA THR 43 7.137 9.755 -9.311 911 HB THR 43 HB THR 43 5.127 8.793 -7.261 912 HG1 THR 43 HG1 THR 43 3.954 9.229 -8.939 913 1HG2 THR 43 3HG2 THR 43 6.693 11.320 -7.373 914 2HG2 THR 43 2HG2 THR 43 4.968 11.469 -7.039 915 3HG2 THR 43 1HG2 THR 43 5.990 10.491 -5.984 916 H ILE 44 H ILE 44 9.289 9.851 -8.687 917 HA ILE 44 HA ILE 44 10.047 8.715 -6.056 918 HB ILE 44 HB ILE 44 11.975 10.108 -7.891 919 1HG1 ILE 44 2HG1 ILE 44 11.961 7.311 -8.457 920 2HG1 ILE 44 1HG1 ILE 44 10.310 7.899 -8.661 921 1HG2 ILE 44 2HG2 ILE 44 12.526 9.173 -5.567 922 2HG2 ILE 44 1HG2 ILE 44 12.289 7.574 -6.273 923 3HG2 ILE 44 3HG2 ILE 44 13.556 8.631 -6.893 924 1HD1 ILE 44 1HD1 ILE 44 12.468 9.613 -9.777 925 2HD1 ILE 44 3HD1 ILE 44 12.172 8.086 -10.608 926 3HD1 ILE 44 2HD1 ILE 44 10.867 9.259 -10.423 927 H ASN 45 H ASN 45 10.302 9.999 -4.288 928 HA ASN 45 HA ASN 45 9.915 12.899 -4.592 929 1HB ASN 45 2HB ASN 45 9.874 10.945 -2.341 930 2HB ASN 45 1HB ASN 45 10.307 12.610 -1.952 931 1HD2 ASN 45 2HD2 ASN 45 6.543 12.182 -1.875 932 2HD2 ASN 45 1HD2 ASN 45 7.810 11.336 -1.123 933 H ALA 46 H ALA 46 11.446 14.454 -3.983 934 HA ALA 46 HA ALA 46 14.094 14.187 -4.683 935 1HB ALA 46 3HB ALA 46 12.852 16.305 -3.967 936 2HB ALA 46 2HB ALA 46 13.278 15.871 -2.311 937 3HB ALA 46 1HB ALA 46 14.547 16.197 -3.492 938 H ASP 47 H ASP 47 12.645 12.983 -1.739 939 HA ASP 47 HA ASP 47 15.240 12.610 -0.415 940 1HB ASP 47 2HB ASP 47 12.424 12.418 0.313 941 2HB ASP 47 1HB ASP 47 13.355 11.047 0.918 942 H GLY 48 H GLY 48 14.808 11.304 -3.047 943 1HA GLY 48 2HA GLY 48 15.162 9.215 -4.050 944 2HA GLY 48 1HA GLY 48 16.023 8.807 -2.563 945 H SER 49 H SER 49 12.645 9.734 -2.569 946 HA SER 49 HA SER 49 11.971 7.108 -1.388 947 1HB SER 49 2HB SER 49 11.003 9.735 -1.073 948 2HB SER 49 1HB SER 49 9.698 8.850 -1.858 949 HG SER 49 HG SER 49 10.930 8.439 0.627 950 H VAL 50 H VAL 50 10.646 5.570 -2.422 951 HA VAL 50 HA VAL 50 10.065 6.176 -5.289 952 HB VAL 50 HB VAL 50 10.126 3.397 -4.126 953 1HG1 VAL 50 1HG1 VAL 50 9.255 4.101 -6.481 954 2HG1 VAL 50 3HG1 VAL 50 10.961 4.318 -6.871 955 3HG1 VAL 50 2HG1 VAL 50 10.366 2.737 -6.371 956 1HG2 VAL 50 2HG2 VAL 50 12.328 5.209 -4.196 957 2HG2 VAL 50 1HG2 VAL 50 12.358 3.484 -3.830 958 3HG2 VAL 50 3HG2 VAL 50 12.567 4.037 -5.493 959 OH TYR 51 OH TYR 51 0.220 6.301 -2.515 960 H TYR 51 H TYR 51 7.965 6.600 -5.658 961 HA TYR 51 HA TYR 51 5.937 5.083 -4.071 962 1HB TYR 51 2HB TYR 51 6.146 7.565 -3.487 963 2HB TYR 51 1HB TYR 51 5.544 7.898 -5.110 964 HD1 TYR 51 HD2 TYR 51 4.676 5.347 -2.496 965 HD2 TYR 51 HD1 TYR 51 3.295 8.505 -5.057 966 HE1 TYR 51 HE2 TYR 51 2.353 4.961 -1.717 967 HE2 TYR 51 HE1 TYR 51 0.972 8.120 -4.280 968 HH TYR 51 HH TYR 51 0.224 6.306 -1.555 969 H ALA 52 H ALA 52 5.950 3.567 -5.878 970 HA ALA 52 HA ALA 52 5.211 4.512 -8.540 971 1HB ALA 52 2HB ALA 52 6.484 2.291 -7.693 972 2HB ALA 52 1HB ALA 52 4.843 1.653 -7.793 973 3HB ALA 52 3HB ALA 52 5.606 2.353 -9.221 974 H GLU 53 H GLU 53 3.151 4.315 -9.505 975 HA GLU 53 HA GLU 53 0.938 3.353 -7.756 976 1HB GLU 53 2HB GLU 53 1.488 6.106 -8.441 977 2HB GLU 53 1HB GLU 53 -0.053 5.608 -9.141 978 1HG GLU 53 2HG GLU 53 -0.365 4.519 -6.718 979 2HG GLU 53 1HG GLU 53 0.748 5.814 -6.274 980 H GLU 54 H GLU 54 -0.994 2.827 -8.953 981 HA GLU 54 HA GLU 54 -0.425 2.228 -11.821 982 1HB GLU 54 2HB GLU 54 -0.954 0.321 -10.180 983 2HB GLU 54 1HB GLU 54 -2.595 0.968 -10.129 984 1HG GLU 54 2HG GLU 54 -2.863 -0.490 -11.890 985 2HG GLU 54 1HG GLU 54 -2.267 0.904 -12.794 986 H VAL 55 H VAL 55 -1.740 3.160 -13.347 987 HA VAL 55 HA VAL 55 -4.356 4.253 -12.565 988 HB VAL 55 HB VAL 55 -2.975 6.323 -14.031 989 1HG1 VAL 55 3HG1 VAL 55 -4.444 6.008 -11.430 990 2HG1 VAL 55 2HG1 VAL 55 -3.595 7.516 -11.769 991 3HG1 VAL 55 1HG1 VAL 55 -4.879 6.967 -12.845 992 1HG2 VAL 55 1HG2 VAL 55 -1.717 5.482 -11.397 993 2HG2 VAL 55 3HG2 VAL 55 -0.925 5.495 -12.973 994 3HG2 VAL 55 2HG2 VAL 55 -1.407 7.013 -12.215 995 H LYS 56 H LYS 56 -5.597 3.392 -14.166 996 HA LYS 56 HA LYS 56 -4.831 3.949 -16.956 997 1HB LYS 56 2HB LYS 56 -3.639 1.900 -16.650 998 2HB LYS 56 1HB LYS 56 -5.008 1.154 -15.828 999 1HG LYS 56 2HG LYS 56 -5.534 2.200 -18.562 1000 2HG LYS 56 1HG LYS 56 -4.490 0.782 -18.462 1001 1HD LYS 56 2HD LYS 56 -7.152 0.950 -17.036 1002 2HD LYS 56 1HD LYS 56 -6.983 0.294 -18.665 1003 1HE LYS 56 2HE LYS 56 -6.208 -1.663 -17.863 1004 2HE LYS 56 1HE LYS 56 -4.980 -0.838 -16.904 1005 1HZ LYS 56 2HZ LYS 56 -6.732 -0.358 -15.250 1006 2HZ LYS 56 1HZ LYS 56 -7.807 -1.324 -16.144 1007 3HZ LYS 56 3HZ LYS 56 -6.428 -2.018 -15.442 1008 HA PRO 57 HA PRO 57 -9.281 4.164 -16.965 1009 1HB PRO 57 2HB PRO 57 -9.488 5.069 -19.548 1010 2HB PRO 57 1HB PRO 57 -9.044 6.108 -18.182 1011 1HG PRO 57 2HG PRO 57 -7.311 5.018 -20.349 1012 2HG PRO 57 1HG PRO 57 -7.101 6.481 -19.375 1013 1HD PRO 57 2HD PRO 57 -5.748 4.020 -18.999 1014 2HD PRO 57 1HD PRO 57 -5.782 5.385 -17.860 1015 H PHE 58 H PHE 58 -10.922 2.779 -17.686 1016 HA PHE 58 HA PHE 58 -10.089 0.698 -19.665 1017 1HB PHE 58 2HB PHE 58 -11.307 -0.929 -18.479 1018 2HB PHE 58 1HB PHE 58 -10.582 0.035 -17.195 1019 HD1 PHE 58 HD1 PHE 58 -13.700 -0.344 -19.223 1020 HD2 PHE 58 HD2 PHE 58 -11.934 1.114 -15.588 1021 HE1 PHE 58 HE1 PHE 58 -15.958 0.154 -18.325 1022 HE2 PHE 58 HE2 PHE 58 -14.192 1.613 -14.693 1023 HZ PHE 58 HZ PHE 58 -16.204 1.133 -16.060 1024 HA PRO 59 HA PRO 59 -11.080 -0.927 -20.595 1025 1HB PRO 59 2HB PRO 59 -11.381 -1.330 -23.297 1026 2HB PRO 59 1HB PRO 59 -12.553 -1.877 -22.087 1027 1HG PRO 59 2HG PRO 59 -12.743 0.419 -23.981 1028 2HG PRO 59 1HG PRO 59 -14.039 -0.536 -23.242 1029 1HD PRO 59 2HD PRO 59 -13.210 2.041 -22.420 1030 2HD PRO 59 1HD PRO 59 -14.254 0.939 -21.499 1031 H SER 60 H SER 60 -9.160 -1.485 -22.156 1032 HA SER 60 HA SER 60 -7.469 0.903 -22.345 1033 1HB SER 60 2HB SER 60 -6.824 -1.935 -23.188 1034 2HB SER 60 1HB SER 60 -5.678 -0.640 -22.854 1035 HG SER 60 HG SER 60 -6.970 -2.329 -21.150 1036 H ASN 61 H ASN 61 -9.572 -0.805 -24.424 1037 HA ASN 61 HA ASN 61 -8.303 0.528 -26.784 1038 1HB ASN 61 2HB ASN 61 -9.045 -2.232 -26.374 1039 2HB ASN 61 1HB ASN 61 -9.986 -1.548 -27.700 1040 1HD2 ASN 61 2HD2 ASN 61 -5.882 -1.467 -28.085 1041 2HD2 ASN 61 1HD2 ASN 61 -6.565 -1.279 -26.543 1042 H LYS 62 H LYS 62 -10.177 0.590 -28.618 1043 HA LYS 62 HA LYS 62 -12.766 1.355 -27.388 1044 1HB LYS 62 2HB LYS 62 -10.763 3.225 -28.400 1045 2HB LYS 62 1HB LYS 62 -12.315 3.399 -29.222 1046 1HG LYS 62 2HG LYS 62 -13.349 3.324 -26.846 1047 2HG LYS 62 1HG LYS 62 -11.712 3.663 -26.281 1048 1HD LYS 62 2HD LYS 62 -12.604 5.814 -26.523 1049 2HD LYS 62 1HD LYS 62 -11.774 5.581 -28.061 1050 1HE LYS 62 2HE LYS 62 -14.438 4.493 -28.229 1051 2HE LYS 62 1HE LYS 62 -14.515 6.161 -27.662 1052 1HZ LYS 62 3HZ LYS 62 -12.922 5.306 -30.013 1053 2HZ LYS 62 2HZ LYS 62 -14.515 5.887 -30.124 1054 3HZ LYS 62 1HZ LYS 62 -13.281 6.893 -29.530 1055 H LYS 63 H LYS 63 -14.351 0.475 -28.623 1056 HA LYS 63 HA LYS 63 -14.060 0.455 -31.567 1057 1HB LYS 63 2HB LYS 63 -13.150 -1.738 -30.529 1058 2HB LYS 63 1HB LYS 63 -14.838 -2.096 -30.160 1059 1HG LYS 63 2HG LYS 63 -14.901 -2.965 -32.258 1060 2HG LYS 63 1HG LYS 63 -15.003 -1.282 -32.777 1061 1HD LYS 63 2HD LYS 63 -12.401 -1.332 -32.666 1062 2HD LYS 63 1HD LYS 63 -12.593 -3.085 -32.699 1063 1HE LYS 63 2HE LYS 63 -13.798 -2.975 -34.798 1064 2HE LYS 63 1HE LYS 63 -13.830 -1.213 -34.737 1065 1HZ LYS 63 3HZ LYS 63 -11.187 -1.890 -34.465 1066 2HZ LYS 63 2HZ LYS 63 -11.770 -2.949 -35.660 1067 3HZ LYS 63 1HZ LYS 63 -11.932 -1.268 -35.857 1068 H THR 64 H THR 64 -15.780 2.138 -30.650 1069 HA THR 64 HA THR 64 -18.409 0.772 -30.307 1070 HB THR 64 HB THR 64 -19.111 3.243 -29.812 1071 HG1 THR 64 HG1 THR 64 -17.528 4.616 -29.513 1072 1HG2 THR 64 1HG2 THR 64 -17.397 1.502 -28.038 1073 2HG2 THR 64 3HG2 THR 64 -18.150 2.982 -27.446 1074 3HG2 THR 64 2HG2 THR 64 -19.154 1.660 -28.042 1075 H THR 65 H THR 65 -17.133 0.850 -32.899 1076 HA THR 65 HA THR 65 -18.965 2.735 -34.331 1077 HB THR 65 HB THR 65 -16.837 1.763 -36.014 1078 HG1 THR 65 HG1 THR 65 -15.155 2.848 -34.810 1079 1HG2 THR 65 3HG2 THR 65 -18.257 3.876 -36.167 1080 2HG2 THR 65 2HG2 THR 65 -17.232 4.544 -34.897 1081 3HG2 THR 65 1HG2 THR 65 -16.529 4.090 -36.449 1082 H ALA 66 HN ALA 66 -18.554 1.552 -36.896 1083 HA ALA 66 HA ALA 66 -19.486 -1.250 -36.554 1084 1HB ALA 66 2HB ALA 66 -21.020 1.033 -37.745 1085 2HB ALA 66 1HB ALA 66 -21.199 -0.570 -38.459 1086 3HB ALA 66 3HB ALA 66 -21.601 -0.311 -36.762 Start of MODEL 6 Raw file had 1086 H/Q atoms Start of MODEL 6 1 1H MET 1 3H MET 1 -16.072 20.247 -9.017 2 2H MET 1 2H MET 1 -17.091 21.555 -9.386 3 3H MET 1 1H MET 1 -16.675 21.229 -7.772 4 HA MET 1 HA MET 1 -18.212 19.635 -7.536 5 1HB MET 1 2HB MET 1 -19.174 21.718 -8.962 6 2HB MET 1 1HB MET 1 -19.496 20.413 -10.104 7 1HG MET 1 2HG MET 1 -21.158 19.565 -8.825 8 2HG MET 1 1HG MET 1 -20.200 19.705 -7.351 9 1HE MET 1 2HE MET 1 -21.260 20.405 -5.745 10 2HE MET 1 1HE MET 1 -20.516 21.994 -5.589 11 3HE MET 1 3HE MET 1 -22.274 21.824 -5.497 12 H GLU 2 H GLU 2 -16.989 17.700 -7.910 13 HA GLU 2 HA GLU 2 -17.394 16.519 -10.630 14 1HB GLU 2 2HB GLU 2 -15.202 15.914 -8.621 15 2HB GLU 2 1HB GLU 2 -15.377 15.171 -10.210 16 1HG GLU 2 2HG GLU 2 -14.892 17.194 -11.339 17 2HG GLU 2 1HG GLU 2 -15.173 18.164 -9.892 18 H GLN 3 H GLN 3 -19.047 15.075 -10.500 19 HA GLN 3 HA GLN 3 -19.807 13.807 -7.998 20 1HB GLN 3 2HB GLN 3 -20.856 14.018 -10.708 21 2HB GLN 3 1HB GLN 3 -21.002 12.374 -10.086 22 1HG GLN 3 2HG GLN 3 -22.862 13.116 -9.028 23 2HG GLN 3 1HG GLN 3 -21.749 13.908 -7.911 24 1HE2 GLN 3 2HE2 GLN 3 -23.564 16.175 -10.829 25 2HE2 GLN 3 1HE2 GLN 3 -23.407 14.501 -11.059 26 NH1 ARG 4 NH2 ARG 4 -12.250 12.123 -8.009 27 NH2 ARG 4 NH1 ARG 4 -12.389 14.047 -6.832 28 H ARG 4 H ARG 4 -18.056 12.543 -7.273 29 HA ARG 4 HA ARG 4 -16.768 10.627 -9.079 30 1HB ARG 4 2HB ARG 4 -16.500 10.639 -6.074 31 2HB ARG 4 1HB ARG 4 -15.310 10.158 -7.284 32 1HG ARG 4 2HG ARG 4 -16.292 12.973 -6.737 33 2HG ARG 4 1HG ARG 4 -14.682 12.335 -6.399 34 1HD ARG 4 2HD ARG 4 -14.791 11.745 -9.009 35 2HD ARG 4 1HD ARG 4 -15.902 13.114 -9.007 36 HE ARG 4 HE ARG 4 -13.975 14.446 -8.875 37 1HH1 ARG 4 1HH2 ARG 4 -12.607 11.512 -8.716 38 2HH1 ARG 4 2HH2 ARG 4 -11.429 11.870 -7.498 39 1HH2 ARG 4 2HH1 ARG 4 -12.852 14.911 -6.637 40 2HH2 ARG 4 1HH1 ARG 4 -11.567 13.792 -6.321 41 H ILE 5 H ILE 5 -17.063 8.381 -9.055 42 HA ILE 5 HA ILE 5 -19.029 7.224 -7.161 43 HB ILE 5 HB ILE 5 -19.410 6.408 -9.990 44 1HG1 ILE 5 2HG1 ILE 5 -19.175 8.960 -10.025 45 2HG1 ILE 5 1HG1 ILE 5 -20.697 8.318 -10.638 46 1HG2 ILE 5 3HG2 ILE 5 -21.130 6.927 -7.562 47 2HG2 ILE 5 2HG2 ILE 5 -21.838 6.629 -9.150 48 3HG2 ILE 5 1HG2 ILE 5 -20.835 5.396 -8.387 49 1HD1 ILE 5 2HD1 ILE 5 -20.874 8.696 -7.782 50 2HD1 ILE 5 1HD1 ILE 5 -20.360 10.194 -8.558 51 3HD1 ILE 5 3HD1 ILE 5 -21.860 9.414 -9.057 52 H THR 6 H THR 6 -19.180 4.737 -7.872 53 HA THR 6 HA THR 6 -16.382 3.851 -8.453 54 HB THR 6 HB THR 6 -18.217 2.149 -6.811 55 HG1 THR 6 HG1 THR 6 -16.939 4.525 -5.988 56 1HG2 THR 6 1HG2 THR 6 -15.515 2.129 -7.613 57 2HG2 THR 6 3HG2 THR 6 -15.502 2.489 -5.886 58 3HG2 THR 6 2HG2 THR 6 -16.296 1.029 -6.478 59 H LEU 7 H LEU 7 -16.192 2.127 -9.919 60 HA LEU 7 HA LEU 7 -18.156 1.756 -11.885 61 1HB LEU 7 2HB LEU 7 -15.833 1.023 -12.191 62 2HB LEU 7 1HB LEU 7 -16.050 -0.223 -10.963 63 HG LEU 7 HG LEU 7 -17.863 -1.226 -12.361 64 1HD1 LEU 7 1HD1 LEU 7 -17.706 1.246 -13.690 65 2HD1 LEU 7 3HD1 LEU 7 -17.070 0.066 -14.836 66 3HD1 LEU 7 2HD1 LEU 7 -18.685 -0.143 -14.160 67 1HD2 LEU 7 2HD2 LEU 7 -15.221 -1.628 -12.543 68 2HD2 LEU 7 1HD2 LEU 7 -16.355 -2.453 -13.611 69 3HD2 LEU 7 3HD2 LEU 7 -15.497 -1.019 -14.175 70 H LYS 8 H LYS 8 -18.022 0.453 -8.689 71 HA LYS 8 HA LYS 8 -19.929 -1.706 -9.299 72 1HB LYS 8 2HB LYS 8 -19.496 -2.503 -7.141 73 2HB LYS 8 1HB LYS 8 -17.961 -1.758 -7.579 74 1HG LYS 8 2HG LYS 8 -19.078 0.394 -6.493 75 2HG LYS 8 1HG LYS 8 -20.040 -0.814 -5.640 76 1HD LYS 8 2HD LYS 8 -17.234 -1.560 -5.674 77 2HD LYS 8 1HD LYS 8 -17.454 0.040 -4.966 78 1HE LYS 8 2HE LYS 8 -17.675 -1.552 -3.176 79 2HE LYS 8 1HE LYS 8 -19.294 -0.955 -3.536 80 1HZ LYS 8 2HZ LYS 8 -19.534 -2.926 -5.029 81 2HZ LYS 8 1HZ LYS 8 -18.086 -3.528 -4.374 82 3HZ LYS 8 3HZ LYS 8 -19.435 -3.294 -3.374 83 H ASP 9 H ASP 9 -19.908 1.481 -7.786 84 HA ASP 9 HA ASP 9 -22.589 1.256 -6.702 85 1HB ASP 9 2HB ASP 9 -20.602 3.462 -7.076 86 2HB ASP 9 1HB ASP 9 -22.287 3.894 -6.778 87 OH TYR 10 OH TYR 10 -25.012 5.787 -16.213 88 H TYR 10 H TYR 10 -21.229 2.506 -9.712 89 HA TYR 10 HA TYR 10 -23.758 3.601 -10.638 90 1HB TYR 10 2HB TYR 10 -21.488 4.398 -11.389 91 2HB TYR 10 1HB TYR 10 -21.312 2.885 -12.276 92 HD1 TYR 10 HD1 TYR 10 -24.373 4.959 -11.777 93 HD2 TYR 10 HD2 TYR 10 -21.420 3.530 -14.547 94 HE1 TYR 10 HE1 TYR 10 -25.680 5.911 -13.659 95 HE2 TYR 10 HE2 TYR 10 -22.725 4.482 -16.429 96 HH TYR 10 HH TYR 10 -24.429 5.856 -16.972 97 H ALA 11 H ALA 11 -22.062 0.532 -10.980 98 HA ALA 11 HA ALA 11 -23.940 -0.434 -13.023 99 1HB ALA 11 3HB ALA 11 -21.429 -1.356 -11.802 100 2HB ALA 11 2HB ALA 11 -22.583 -2.652 -12.119 101 3HB ALA 11 1HB ALA 11 -22.045 -1.607 -13.436 102 H MET 12 H MET 12 -23.629 -0.558 -9.539 103 HA MET 12 HA MET 12 -25.589 -2.755 -9.325 104 1HB MET 12 2HB MET 12 -23.908 -1.194 -7.396 105 2HB MET 12 1HB MET 12 -25.335 -2.038 -6.795 106 1HG MET 12 2HG MET 12 -24.517 -4.154 -7.510 107 2HG MET 12 1HG MET 12 -23.274 -3.416 -8.523 108 1HE MET 12 1HE MET 12 -22.964 -5.632 -6.936 109 2HE MET 12 3HE MET 12 -21.521 -5.458 -5.927 110 3HE MET 12 2HE MET 12 -23.119 -5.491 -5.186 111 NH1 ARG 13 NH1 ARG 13 -26.923 6.185 -4.573 112 NH2 ARG 13 NH2 ARG 13 -29.139 6.057 -4.995 113 H ARG 13 H ARG 13 -25.435 0.739 -8.858 114 HA ARG 13 HA ARG 13 -28.220 0.825 -7.900 115 1HB ARG 13 2HB ARG 13 -26.056 2.873 -8.339 116 2HB ARG 13 1HB ARG 13 -27.729 3.377 -8.094 117 1HG ARG 13 2HG ARG 13 -27.010 1.359 -6.154 118 2HG ARG 13 1HG ARG 13 -25.852 2.689 -6.103 119 1HD ARG 13 2HD ARG 13 -28.869 2.933 -5.914 120 2HD ARG 13 1HD ARG 13 -27.718 3.174 -4.599 121 HE ARG 13 HE ARG 13 -27.425 4.903 -6.988 122 1HH1 ARG 13 2HH1 ARG 13 -25.989 5.867 -4.740 123 2HH1 ARG 13 1HH1 ARG 13 -27.091 6.918 -3.915 124 1HH2 ARG 13 1HH2 ARG 13 -29.905 5.642 -5.488 125 2HH2 ARG 13 2HH2 ARG 13 -29.308 6.790 -4.335 126 H PHE 14 H PHE 14 -26.459 1.151 -10.874 127 HA PHE 14 HA PHE 14 -28.998 1.996 -12.214 128 1HB PHE 14 2HB PHE 14 -26.220 2.541 -13.282 129 2HB PHE 14 1HB PHE 14 -27.745 3.263 -13.799 130 HD1 PHE 14 HD2 PHE 14 -25.653 2.863 -10.706 131 HD2 PHE 14 HD1 PHE 14 -28.331 5.360 -12.953 132 HE1 PHE 14 HE2 PHE 14 -25.360 4.676 -9.040 133 HE2 PHE 14 HE1 PHE 14 -28.037 7.173 -11.284 134 HZ PHE 14 HZ PHE 14 -26.552 6.830 -9.328 135 H GLY 15 H GLY 15 -26.969 -0.559 -11.729 136 1HA GLY 15 2HA GLY 15 -27.055 -2.679 -12.793 137 2HA GLY 15 1HA GLY 15 -28.009 -1.956 -14.088 138 H GLN 16 H GLN 16 -25.395 -3.629 -13.953 139 HA GLN 16 HA GLN 16 -23.254 -2.011 -14.929 140 1HB GLN 16 2HB GLN 16 -23.783 -4.886 -15.727 141 2HB GLN 16 1HB GLN 16 -22.225 -4.066 -15.623 142 1HG GLN 16 2HG GLN 16 -22.044 -4.551 -13.431 143 2HG GLN 16 1HG GLN 16 -23.639 -3.874 -13.102 144 1HE2 GLN 16 2HE2 GLN 16 -23.277 -7.910 -13.778 145 2HE2 GLN 16 1HE2 GLN 16 -22.026 -6.868 -14.258 146 H THR 17 H THR 17 -26.188 -3.069 -16.398 147 HA THR 17 HA THR 17 -25.376 -3.045 -19.147 148 HB THR 17 HB THR 17 -28.113 -2.100 -18.487 149 HG1 THR 17 HG1 THR 17 -28.083 -3.484 -16.859 150 1HG2 THR 17 3HG2 THR 17 -26.974 -3.065 -20.708 151 2HG2 THR 17 2HG2 THR 17 -27.484 -4.594 -19.993 152 3HG2 THR 17 1HG2 THR 17 -28.677 -3.343 -20.338 153 H LYS 18 H LYS 18 -27.129 -0.530 -17.286 154 HA LYS 18 HA LYS 18 -26.863 1.493 -19.275 155 1HB LYS 18 2HB LYS 18 -27.082 1.828 -16.267 156 2HB LYS 18 1HB LYS 18 -27.421 3.070 -17.473 157 1HG LYS 18 2HG LYS 18 -29.194 1.612 -18.436 158 2HG LYS 18 1HG LYS 18 -28.890 0.435 -17.157 159 1HD LYS 18 2HD LYS 18 -29.228 2.615 -15.628 160 2HD LYS 18 1HD LYS 18 -30.216 3.101 -17.005 161 1HE LYS 18 2HE LYS 18 -30.501 0.401 -15.671 162 2HE LYS 18 1HE LYS 18 -31.436 1.811 -15.172 163 1HZ LYS 18 2HZ LYS 18 -31.515 1.557 -17.979 164 2HZ LYS 18 1HZ LYS 18 -31.975 0.081 -17.272 165 3HZ LYS 18 3HZ LYS 18 -32.800 1.508 -16.870 166 H THR 19 H THR 19 -24.632 0.319 -16.845 167 HA THR 19 HA THR 19 -22.862 2.621 -16.963 168 HB THR 19 HB THR 19 -22.247 -0.224 -16.100 169 HG1 THR 19 HG1 THR 19 -23.388 2.001 -14.819 170 1HG2 THR 19 2HG2 THR 19 -20.742 2.323 -16.132 171 2HG2 THR 19 1HG2 THR 19 -20.681 1.434 -14.610 172 3HG2 THR 19 3HG2 THR 19 -20.147 0.664 -16.103 173 H ALA 20 H ALA 20 -23.183 -0.405 -18.731 174 HA ALA 20 HA ALA 20 -20.654 0.008 -20.174 175 1HB ALA 20 3HB ALA 20 -22.697 -2.116 -19.967 176 2HB ALA 20 2HB ALA 20 -21.982 -1.936 -21.570 177 3HB ALA 20 1HB ALA 20 -20.951 -2.251 -20.174 178 H LYS 21 H LYS 21 -23.972 0.893 -20.492 179 HA LYS 21 HA LYS 21 -23.826 1.327 -23.394 180 1HB LYS 21 2HB LYS 21 -25.901 1.631 -21.268 181 2HB LYS 21 1HB LYS 21 -26.067 2.629 -22.713 182 1HG LYS 21 2HG LYS 21 -25.629 -0.365 -22.810 183 2HG LYS 21 1HG LYS 21 -27.227 0.379 -22.841 184 1HD LYS 21 2HD LYS 21 -26.652 1.616 -24.870 185 2HD LYS 21 1HD LYS 21 -25.010 0.975 -24.821 186 1HE LYS 21 2HE LYS 21 -25.709 -0.799 -26.014 187 2HE LYS 21 1HE LYS 21 -26.740 -1.258 -24.659 188 1HZ LYS 21 3HZ LYS 21 -27.786 0.896 -26.262 189 2HZ LYS 21 2HZ LYS 21 -27.628 -0.571 -27.107 190 3HZ LYS 21 1HZ LYS 21 -28.557 -0.500 -25.685 191 H ASP 22 H ASP 22 -23.433 3.165 -20.434 192 HA ASP 22 HA ASP 22 -23.379 5.739 -21.848 193 1HB ASP 22 2HB ASP 22 -24.010 5.139 -19.304 194 2HB ASP 22 1HB ASP 22 -22.293 5.476 -19.084 195 H LEU 23 H LEU 23 -21.095 3.397 -20.531 196 HA LEU 23 HA LEU 23 -18.800 5.125 -21.199 197 1HB LEU 23 2HB LEU 23 -19.086 2.394 -19.944 198 2HB LEU 23 1HB LEU 23 -17.513 3.014 -20.451 199 HG LEU 23 HG LEU 23 -19.121 4.932 -18.894 200 1HD1 LEU 23 3HD1 LEU 23 -18.218 2.292 -17.734 201 2HD1 LEU 23 2HD1 LEU 23 -18.421 3.732 -16.736 202 3HD1 LEU 23 1HD1 LEU 23 -19.802 3.056 -17.599 203 1HD2 LEU 23 3HD2 LEU 23 -16.281 3.920 -18.992 204 2HD2 LEU 23 2HD2 LEU 23 -16.884 5.542 -19.334 205 3HD2 LEU 23 1HD2 LEU 23 -16.825 4.955 -17.672 206 H GLY 24 H GLY 24 -20.630 2.513 -22.582 207 1HA GLY 24 2HA GLY 24 -20.563 1.873 -24.879 208 2HA GLY 24 1HA GLY 24 -19.038 2.740 -25.051 209 H VAL 25 H VAL 25 -18.006 1.345 -22.562 210 HA VAL 25 HA VAL 25 -16.540 -0.715 -23.785 211 HB VAL 25 HB VAL 25 -16.452 -1.631 -21.314 212 1HG1 VAL 25 2HG1 VAL 25 -14.661 -0.365 -22.470 213 2HG1 VAL 25 1HG1 VAL 25 -15.465 1.145 -22.041 214 3HG1 VAL 25 3HG1 VAL 25 -14.801 0.108 -20.777 215 1HG2 VAL 25 3HG2 VAL 25 -18.557 -0.206 -20.803 216 2HG2 VAL 25 2HG2 VAL 25 -17.234 -0.156 -19.637 217 3HG2 VAL 25 1HG2 VAL 25 -17.451 1.169 -20.782 218 OH TYR 26 OH TYR 26 -13.098 -3.549 -26.060 219 H TYR 26 H TYR 26 -16.801 -3.095 -22.554 220 HA TYR 26 HA TYR 26 -19.452 -4.025 -23.533 221 1HB TYR 26 2HB TYR 26 -17.531 -6.075 -22.655 222 2HB TYR 26 1HB TYR 26 -18.418 -5.946 -24.172 223 HD1 TYR 26 HD1 TYR 26 -17.607 -3.513 -25.400 224 HD2 TYR 26 HD2 TYR 26 -15.238 -6.213 -23.047 225 HE1 TYR 26 HE1 TYR 26 -15.556 -2.702 -26.534 226 HE2 TYR 26 HE2 TYR 26 -13.186 -5.402 -24.180 227 HH TYR 26 HH TYR 26 -12.969 -2.628 -25.819 228 H GLN 27 H GLN 27 -20.679 -5.553 -22.217 229 HA GLN 27 HA GLN 27 -20.786 -4.797 -19.433 230 1HB GLN 27 2HB GLN 27 -22.061 -7.231 -20.709 231 2HB GLN 27 1HB GLN 27 -22.585 -6.390 -19.250 232 1HG GLN 27 2HG GLN 27 -22.796 -4.309 -20.800 233 2HG GLN 27 1HG GLN 27 -22.779 -5.484 -22.116 234 1HE2 GLN 27 2HE2 GLN 27 -25.919 -5.665 -19.452 235 2HE2 GLN 27 1HE2 GLN 27 -24.401 -5.146 -18.899 236 H SER 28 H SER 28 -19.466 -7.563 -21.191 237 HA SER 28 HA SER 28 -18.798 -9.079 -18.816 238 1HB SER 28 2HB SER 28 -18.800 -9.579 -21.549 239 2HB SER 28 1HB SER 28 -17.087 -9.566 -21.139 240 HG SER 28 HG SER 28 -17.476 -11.128 -19.593 241 H ALA 29 H ALA 29 -17.552 -6.226 -20.090 242 HA ALA 29 HA ALA 29 -14.773 -6.724 -19.229 243 1HB ALA 29 2HB ALA 29 -16.199 -4.673 -20.803 244 2HB ALA 29 1HB ALA 29 -14.950 -4.026 -19.739 245 3HB ALA 29 3HB ALA 29 -14.536 -5.240 -20.948 246 H ILE 30 H ILE 30 -17.496 -4.617 -18.386 247 HA ILE 30 HA ILE 30 -16.291 -3.484 -16.046 248 HB ILE 30 HB ILE 30 -19.212 -3.943 -16.741 249 1HG1 ILE 30 2HG1 ILE 30 -17.529 -1.428 -16.965 250 2HG1 ILE 30 1HG1 ILE 30 -17.841 -2.517 -18.318 251 1HG2 ILE 30 2HG2 ILE 30 -18.665 -3.556 -14.292 252 2HG2 ILE 30 1HG2 ILE 30 -18.044 -1.976 -14.766 253 3HG2 ILE 30 3HG2 ILE 30 -19.744 -2.367 -15.022 254 1HD1 ILE 30 3HD1 ILE 30 -20.126 -1.420 -16.692 255 2HD1 ILE 30 2HD1 ILE 30 -19.414 -0.463 -17.992 256 3HD1 ILE 30 1HD1 ILE 30 -20.139 -2.032 -18.347 257 H ASN 31 H ASN 31 -18.047 -6.450 -16.691 258 HA ASN 31 HA ASN 31 -18.481 -7.204 -13.940 259 1HB ASN 31 2HB ASN 31 -19.809 -8.322 -15.577 260 2HB ASN 31 1HB ASN 31 -18.396 -8.751 -16.540 261 1HD2 ASN 31 2HD2 ASN 31 -17.732 -11.697 -14.715 262 2HD2 ASN 31 1HD2 ASN 31 -17.292 -10.691 -16.009 263 H LYS 32 H LYS 32 -16.055 -8.315 -16.350 264 HA LYS 32 HA LYS 32 -14.515 -9.896 -14.599 265 1HB LYS 32 2HB LYS 32 -13.814 -8.281 -17.046 266 2HB LYS 32 1HB LYS 32 -12.564 -9.148 -16.152 267 1HG LYS 32 2HG LYS 32 -13.631 -11.257 -16.517 268 2HG LYS 32 1HG LYS 32 -15.103 -10.486 -17.107 269 1HD LYS 32 2HD LYS 32 -14.269 -10.243 -19.198 270 2HD LYS 32 1HD LYS 32 -12.704 -9.691 -18.599 271 1HE LYS 32 2HE LYS 32 -12.814 -11.972 -19.855 272 2HE LYS 32 1HE LYS 32 -11.878 -11.878 -18.363 273 1HZ LYS 32 2HZ LYS 32 -14.713 -12.532 -18.130 274 2HZ LYS 32 1HZ LYS 32 -13.694 -13.733 -18.767 275 3HZ LYS 32 3HZ LYS 32 -13.390 -13.095 -17.225 276 H ALA 33 H ALA 33 -14.764 -6.423 -14.859 277 HA ALA 33 HA ALA 33 -12.332 -5.788 -13.441 278 1HB ALA 33 3HB ALA 33 -14.902 -4.199 -13.708 279 2HB ALA 33 2HB ALA 33 -13.362 -3.559 -13.132 280 3HB ALA 33 1HB ALA 33 -13.520 -4.108 -14.800 281 H ILE 34 H ILE 34 -15.724 -6.143 -12.430 282 HA ILE 34 HA ILE 34 -15.197 -5.632 -9.639 283 HB ILE 34 HB ILE 34 -17.462 -7.000 -11.109 284 1HG1 ILE 34 2HG1 ILE 34 -18.025 -4.653 -9.471 285 2HG1 ILE 34 1HG1 ILE 34 -16.788 -4.323 -10.685 286 1HG2 ILE 34 1HG2 ILE 34 -16.882 -6.807 -8.182 287 2HG2 ILE 34 3HG2 ILE 34 -18.546 -6.555 -8.708 288 3HG2 ILE 34 2HG2 ILE 34 -17.724 -8.072 -9.078 289 1HD1 ILE 34 1HD1 ILE 34 -18.422 -5.584 -12.302 290 2HD1 ILE 34 3HD1 ILE 34 -19.633 -5.208 -11.077 291 3HD1 ILE 34 2HD1 ILE 34 -18.755 -3.906 -11.878 292 H HIS 35 H HIS 35 -14.963 -8.453 -11.687 293 HA HIS 35 HA HIS 35 -14.853 -10.389 -9.531 294 1HB HIS 35 2HB HIS 35 -14.305 -10.403 -12.483 295 2HB HIS 35 1HB HIS 35 -13.735 -11.750 -11.497 296 HD1 HIS 35 HD1 HIS 35 -15.476 -13.408 -12.455 297 HD2 HIS 35 HD2 HIS 35 -17.180 -10.060 -10.648 298 HE1 HIS 35 HE1 HIS 35 -17.944 -13.916 -12.193 299 H ALA 36 H ALA 36 -12.550 -8.311 -11.143 300 HA ALA 36 HA ALA 36 -10.253 -9.765 -9.985 301 1HB ALA 36 2HB ALA 36 -10.182 -8.753 -12.295 302 2HB ALA 36 1HB ALA 36 -10.254 -7.163 -11.538 303 3HB ALA 36 3HB ALA 36 -8.876 -8.222 -11.235 304 H GLY 37 H GLY 37 -12.413 -7.328 -9.041 305 1HA GLY 37 2HA GLY 37 -12.416 -5.871 -7.200 306 2HA GLY 37 1HA GLY 37 -11.129 -6.879 -6.535 307 NH1 ARG 38 NH2 ARG 38 -14.181 -0.546 -9.850 308 NH2 ARG 38 NH1 ARG 38 -14.662 -2.737 -9.578 309 H ARG 38 H ARG 38 -11.192 -4.899 -9.495 310 HA ARG 38 HA ARG 38 -8.555 -3.815 -8.841 311 1HB ARG 38 2HB ARG 38 -8.536 -2.954 -11.021 312 2HB ARG 38 1HB ARG 38 -9.550 -4.385 -11.194 313 1HG ARG 38 2HG ARG 38 -10.474 -1.511 -10.920 314 2HG ARG 38 1HG ARG 38 -10.669 -2.564 -12.321 315 1HD ARG 38 2HD ARG 38 -12.166 -4.022 -11.078 316 2HD ARG 38 1HD ARG 38 -11.885 -3.110 -9.597 317 HE ARG 38 HE ARG 38 -13.099 -1.732 -11.941 318 1HH1 ARG 38 1HH2 ARG 38 -13.648 0.176 -10.291 319 2HH1 ARG 38 2HH2 ARG 38 -14.880 -0.310 -9.174 320 1HH2 ARG 38 2HH1 ARG 38 -14.498 -3.695 -9.810 321 2HH2 ARG 38 1HH1 ARG 38 -15.359 -2.499 -8.900 322 H LYS 39 H LYS 39 -8.744 -1.193 -9.751 323 HA LYS 39 HA LYS 39 -10.645 0.079 -7.827 324 1HB LYS 39 2HB LYS 39 -7.716 0.250 -7.950 325 2HB LYS 39 1HB LYS 39 -8.504 1.828 -7.966 326 1HG LYS 39 2HG LYS 39 -8.755 1.632 -5.736 327 2HG LYS 39 1HG LYS 39 -9.911 0.339 -6.049 328 1HD LYS 39 2HD LYS 39 -7.837 -1.198 -6.238 329 2HD LYS 39 1HD LYS 39 -6.966 0.116 -5.444 330 1HE LYS 39 2HE LYS 39 -7.691 -1.280 -3.666 331 2HE LYS 39 1HE LYS 39 -8.838 0.060 -3.680 332 1HZ LYS 39 3HZ LYS 39 -9.616 -2.054 -5.436 333 2HZ LYS 39 2HZ LYS 39 -9.459 -2.589 -3.832 334 3HZ LYS 39 1HZ LYS 39 -10.499 -1.298 -4.201 335 H ILE 40 H ILE 40 -11.808 0.044 -9.972 336 HA ILE 40 HA ILE 40 -10.939 2.265 -11.755 337 HB ILE 40 HB ILE 40 -13.064 0.122 -12.054 338 1HG1 ILE 40 2HG1 ILE 40 -10.590 0.771 -13.690 339 2HG1 ILE 40 1HG1 ILE 40 -10.685 -0.515 -12.486 340 1HG2 ILE 40 2HG2 ILE 40 -12.451 2.550 -13.756 341 2HG2 ILE 40 1HG2 ILE 40 -13.346 1.155 -14.361 342 3HG2 ILE 40 3HG2 ILE 40 -13.995 2.109 -13.027 343 1HD1 ILE 40 2HD1 ILE 40 -12.538 -1.558 -13.758 344 2HD1 ILE 40 1HD1 ILE 40 -12.401 -0.292 -14.978 345 3HD1 ILE 40 3HD1 ILE 40 -11.075 -1.429 -14.735 346 H PHE 41 H PHE 41 -11.549 4.143 -10.782 347 HA PHE 41 HA PHE 41 -14.146 4.308 -9.397 348 1HB PHE 41 2HB PHE 41 -12.193 6.563 -9.896 349 2HB PHE 41 1HB PHE 41 -13.387 6.423 -8.604 350 HD1 PHE 41 HD2 PHE 41 -10.147 5.116 -9.883 351 HD2 PHE 41 HD1 PHE 41 -12.965 5.087 -6.637 352 HE1 PHE 41 HE2 PHE 41 -8.480 3.994 -8.437 353 HE2 PHE 41 HE1 PHE 41 -11.296 3.964 -5.198 354 HZ PHE 41 HZ PHE 41 -9.053 3.419 -6.096 355 H LEU 42 H LEU 42 -15.962 5.196 -10.293 356 HA LEU 42 HA LEU 42 -15.809 6.023 -13.117 357 1HB LEU 42 2HB LEU 42 -17.827 4.915 -11.344 358 2HB LEU 42 1HB LEU 42 -18.449 6.304 -12.235 359 HG LEU 42 HG LEU 42 -17.783 5.314 -14.350 360 1HD1 LEU 42 1HD1 LEU 42 -15.714 4.214 -13.538 361 2HD1 LEU 42 3HD1 LEU 42 -16.694 3.026 -12.680 362 3HD1 LEU 42 2HD1 LEU 42 -16.730 3.091 -14.441 363 1HD2 LEU 42 1HD2 LEU 42 -19.372 3.653 -12.422 364 2HD2 LEU 42 3HD2 LEU 42 -19.916 4.521 -13.857 365 3HD2 LEU 42 2HD2 LEU 42 -19.035 3.003 -14.028 366 H THR 43 H THR 43 -15.070 8.092 -13.282 367 HA THR 43 HA THR 43 -16.135 10.180 -11.467 368 HB THR 43 HB THR 43 -13.937 10.139 -13.547 369 HG1 THR 43 HG1 THR 43 -14.107 10.513 -10.752 370 1HG2 THR 43 3HG2 THR 43 -15.311 12.465 -12.228 371 2HG2 THR 43 2HG2 THR 43 -13.599 12.567 -12.637 372 3HG2 THR 43 1HG2 THR 43 -14.793 12.288 -13.905 373 H ILE 44 H ILE 44 -18.094 10.973 -12.105 374 HA ILE 44 HA ILE 44 -18.784 10.999 -14.972 375 HB ILE 44 HB ILE 44 -20.639 12.250 -13.030 376 1HG1 ILE 44 2HG1 ILE 44 -19.835 9.330 -12.879 377 2HG1 ILE 44 1HG1 ILE 44 -19.822 10.511 -11.570 378 1HG2 ILE 44 2HG2 ILE 44 -21.124 11.709 -15.445 379 2HG2 ILE 44 1HG2 ILE 44 -20.995 9.999 -15.030 380 3HG2 ILE 44 3HG2 ILE 44 -22.263 10.990 -14.308 381 1HD1 ILE 44 1HD1 ILE 44 -22.445 10.519 -12.654 382 2HD1 ILE 44 3HD1 ILE 44 -21.986 8.830 -12.439 383 3HD1 ILE 44 2HD1 ILE 44 -21.936 9.939 -11.068 384 H ASN 45 H ASN 45 -17.722 12.665 -15.993 385 HA ASN 45 HA ASN 45 -16.896 15.113 -14.990 386 1HB ASN 45 2HB ASN 45 -18.015 14.474 -17.731 387 2HB ASN 45 1HB ASN 45 -17.210 15.993 -17.334 388 1HD2 ASN 45 2HD2 ASN 45 -13.965 14.603 -17.459 389 2HD2 ASN 45 1HD2 ASN 45 -14.912 15.987 -17.194 390 H ALA 46 H ALA 46 -17.844 17.062 -14.544 391 HA ALA 46 HA ALA 46 -20.413 17.328 -13.590 392 1HB ALA 46 2HB ALA 46 -18.512 19.284 -14.828 393 2HB ALA 46 1HB ALA 46 -20.143 19.820 -14.424 394 3HB ALA 46 3HB ALA 46 -19.087 19.184 -13.163 395 H ASP 47 H ASP 47 -19.493 17.198 -16.956 396 HA ASP 47 HA ASP 47 -22.064 18.272 -17.883 397 1HB ASP 47 2HB ASP 47 -19.501 17.470 -19.096 398 2HB ASP 47 1HB ASP 47 -20.917 17.068 -20.070 399 H GLY 48 H GLY 48 -22.146 15.902 -16.146 400 1HA GLY 48 2HA GLY 48 -23.224 13.822 -16.058 401 2HA GLY 48 1HA GLY 48 -24.091 14.356 -17.500 402 H SER 49 H SER 49 -20.652 14.306 -17.679 403 HA SER 49 HA SER 49 -20.811 12.109 -19.659 404 1HB SER 49 2HB SER 49 -18.145 13.157 -19.137 405 2HB SER 49 1HB SER 49 -19.061 13.142 -20.641 406 HG SER 49 HG SER 49 -20.059 15.025 -20.033 407 H VAL 50 H VAL 50 -19.406 10.243 -19.495 408 HA VAL 50 HA VAL 50 -18.853 9.539 -16.656 409 HB VAL 50 HB VAL 50 -18.962 7.740 -19.096 410 1HG1 VAL 50 3HG1 VAL 50 -18.680 7.263 -16.124 411 2HG1 VAL 50 2HG1 VAL 50 -19.244 6.004 -17.222 412 3HG1 VAL 50 1HG1 VAL 50 -17.632 6.691 -17.422 413 1HG2 VAL 50 1HG2 VAL 50 -21.049 8.963 -17.526 414 2HG2 VAL 50 3HG2 VAL 50 -21.204 7.861 -18.894 415 3HG2 VAL 50 2HG2 VAL 50 -21.060 7.220 -17.258 416 OH TYR 51 OH TYR 51 -8.658 10.356 -17.307 417 H TYR 51 H TYR 51 -16.792 8.828 -16.021 418 HA TYR 51 HA TYR 51 -14.636 8.715 -18.039 419 1HB TYR 51 2HB TYR 51 -14.747 11.105 -17.389 420 2HB TYR 51 1HB TYR 51 -14.573 10.645 -15.698 421 HD1 TYR 51 HD1 TYR 51 -12.757 8.443 -17.843 422 HD2 TYR 51 HD2 TYR 51 -12.549 12.287 -15.935 423 HE1 TYR 51 HE1 TYR 51 -10.293 8.439 -18.102 424 HE2 TYR 51 HE2 TYR 51 -10.084 12.280 -16.193 425 HH TYR 51 HH TYR 51 -8.456 10.485 -18.237 426 H ALA 52 H ALA 52 -14.680 6.467 -17.302 427 HA ALA 52 HA ALA 52 -14.123 5.871 -14.500 428 1HB ALA 52 1HB ALA 52 -14.472 4.303 -17.019 429 2HB ALA 52 3HB ALA 52 -13.583 3.541 -15.699 430 3HB ALA 52 2HB ALA 52 -15.241 4.086 -15.447 431 H GLU 53 H GLU 53 -12.145 5.842 -13.584 432 HA GLU 53 HA GLU 53 -9.760 5.672 -15.381 433 1HB GLU 53 2HB GLU 53 -10.480 7.593 -13.251 434 2HB GLU 53 1HB GLU 53 -8.831 6.975 -13.167 435 1HG GLU 53 2HG GLU 53 -8.626 7.531 -15.644 436 2HG GLU 53 1HG GLU 53 -10.154 8.399 -15.485 437 H GLU 54 H GLU 54 -7.849 4.767 -14.304 438 HA GLU 54 HA GLU 54 -8.612 2.784 -12.197 439 1HB GLU 54 2HB GLU 54 -7.928 1.896 -14.500 440 2HB GLU 54 1HB GLU 54 -6.314 2.520 -14.156 441 1HG GLU 54 2HG GLU 54 -6.413 1.179 -11.981 442 2HG GLU 54 1HG GLU 54 -7.839 0.385 -12.651 443 H VAL 55 H VAL 55 -7.509 2.991 -10.286 444 HA VAL 55 HA VAL 55 -4.879 4.351 -10.310 445 HB VAL 55 HB VAL 55 -6.499 5.300 -8.078 446 1HG1 VAL 55 1HG1 VAL 55 -4.906 6.559 -10.325 447 2HG1 VAL 55 3HG1 VAL 55 -5.661 7.496 -9.037 448 3HG1 VAL 55 2HG1 VAL 55 -4.399 6.326 -8.653 449 1HG2 VAL 55 3HG2 VAL 55 -8.242 5.058 -9.965 450 2HG2 VAL 55 2HG2 VAL 55 -8.077 6.655 -9.239 451 3HG2 VAL 55 1HG2 VAL 55 -7.335 6.318 -10.804 452 H LYS 56 H LYS 56 -3.751 2.619 -9.533 453 HA LYS 56 HA LYS 56 -4.309 1.794 -6.756 454 1HB LYS 56 2HB LYS 56 -5.611 0.148 -7.895 455 2HB LYS 56 1HB LYS 56 -4.373 -0.083 -9.127 456 1HG LYS 56 2HG LYS 56 -3.558 -1.779 -7.881 457 2HG LYS 56 1HG LYS 56 -3.085 -0.589 -6.668 458 1HD LYS 56 2HD LYS 56 -4.657 -1.340 -5.251 459 2HD LYS 56 1HD LYS 56 -5.911 -1.093 -6.464 460 1HE LYS 56 2HE LYS 56 -4.085 -3.491 -6.567 461 2HE LYS 56 1HE LYS 56 -5.560 -3.501 -5.601 462 1HZ LYS 56 2HZ LYS 56 -6.516 -2.554 -7.869 463 2HZ LYS 56 1HZ LYS 56 -5.233 -3.475 -8.495 464 3HZ LYS 56 3HZ LYS 56 -6.424 -4.220 -7.544 465 HA PRO 57 HA PRO 57 0.131 2.033 -7.095 466 1HB PRO 57 2HB PRO 57 0.625 1.614 -4.423 467 2HB PRO 57 1HB PRO 57 0.109 3.171 -5.094 468 1HG PRO 57 2HG PRO 57 -1.470 1.190 -3.521 469 2HG PRO 57 1HG PRO 57 -1.692 2.942 -3.666 470 1HD PRO 57 2HD PRO 57 -3.209 0.963 -5.006 471 2HD PRO 57 1HD PRO 57 -3.190 2.700 -5.384 472 H PHE 58 H PHE 58 1.970 0.553 -6.735 473 HA PHE 58 HA PHE 58 1.091 -2.284 -6.409 474 1HB PHE 58 2HB PHE 58 2.336 -2.886 -8.233 475 2HB PHE 58 1HB PHE 58 2.142 -1.192 -8.664 476 HD1 PHE 58 HD2 PHE 58 3.949 0.372 -7.256 477 HD2 PHE 58 HD1 PHE 58 4.485 -3.706 -8.492 478 HE1 PHE 58 HE2 PHE 58 6.411 0.668 -7.168 479 HE2 PHE 58 HE1 PHE 58 6.945 -3.411 -8.404 480 HZ PHE 58 HZ PHE 58 7.908 -1.223 -7.742 481 HA PRO 59 HA PRO 59 2.700 -4.044 -6.845 482 1HB PRO 59 2HB PRO 59 3.015 -6.203 -5.174 483 2HB PRO 59 1HB PRO 59 4.340 -5.481 -6.103 484 1HG PRO 59 2HG PRO 59 3.754 -5.262 -3.184 485 2HG PRO 59 1HG PRO 59 5.307 -5.146 -4.029 486 1HD PRO 59 2HD PRO 59 3.798 -2.966 -3.059 487 2HD PRO 59 1HD PRO 59 5.142 -2.864 -4.216 488 H SER 60 H SER 60 1.282 -6.305 -5.922 489 HA SER 60 HA SER 60 -1.336 -5.222 -5.511 490 1HB SER 60 2HB SER 60 -1.339 -7.342 -6.505 491 2HB SER 60 1HB SER 60 -0.147 -7.981 -5.378 492 HG SER 60 HG SER 60 -2.218 -8.745 -4.870 493 H ASN 61 H ASN 61 -2.726 -5.875 -3.573 494 HA ASN 61 HA ASN 61 -1.208 -5.234 -1.100 495 1HB ASN 61 2HB ASN 61 -3.394 -4.698 -0.137 496 2HB ASN 61 1HB ASN 61 -3.212 -3.867 -1.681 497 1HD2 ASN 61 2HD2 ASN 61 -5.926 -5.543 -3.185 498 2HD2 ASN 61 1HD2 ASN 61 -4.723 -4.353 -3.328 499 H LYS 62 H LYS 62 -3.129 -6.349 0.711 500 HA LYS 62 HA LYS 62 -2.259 -9.162 0.603 501 1HB LYS 62 2HB LYS 62 -2.973 -7.291 2.661 502 2HB LYS 62 1HB LYS 62 -4.025 -8.702 2.790 503 1HG LYS 62 2HG LYS 62 -2.251 -10.164 3.162 504 2HG LYS 62 1HG LYS 62 -1.081 -9.107 2.369 505 1HD LYS 62 2HD LYS 62 -1.661 -7.458 4.331 506 2HD LYS 62 1HD LYS 62 -2.221 -8.921 5.141 507 1HE LYS 62 2HE LYS 62 0.044 -8.777 5.780 508 2HE LYS 62 1HE LYS 62 0.066 -9.929 4.445 509 1HZ LYS 62 3HZ LYS 62 0.422 -7.050 3.931 510 2HZ LYS 62 2HZ LYS 62 1.736 -7.991 4.450 511 3HZ LYS 62 1HZ LYS 62 0.935 -8.373 3.001 512 H LYS 63 H LYS 63 -3.649 -10.907 0.281 513 HA LYS 63 HA LYS 63 -6.555 -10.435 0.124 514 1HB LYS 63 2HB LYS 63 -5.202 -10.034 -2.176 515 2HB LYS 63 1HB LYS 63 -5.420 -11.783 -2.272 516 1HG LYS 63 2HG LYS 63 -7.887 -11.340 -1.702 517 2HG LYS 63 1HG LYS 63 -7.546 -9.648 -2.065 518 1HD LYS 63 2HD LYS 63 -7.932 -10.151 -4.231 519 2HD LYS 63 1HD LYS 63 -6.413 -11.048 -4.201 520 1HE LYS 63 2HE LYS 63 -7.784 -12.778 -4.827 521 2HE LYS 63 1HE LYS 63 -8.026 -12.896 -3.084 522 1HZ LYS 63 3HZ LYS 63 -9.841 -11.072 -3.669 523 2HZ LYS 63 2HZ LYS 63 -9.825 -11.905 -5.149 524 3HZ LYS 63 1HZ LYS 63 -10.174 -12.734 -3.709 525 H THR 64 H THR 64 -7.714 -12.325 0.508 526 HA THR 64 HA THR 64 -6.271 -14.914 0.453 527 HB THR 64 HB THR 64 -7.381 -15.305 2.811 528 HG1 THR 64 HG1 THR 64 -6.986 -12.498 2.759 529 1HG2 THR 64 1HG2 THR 64 -4.883 -13.657 2.341 530 2HG2 THR 64 3HG2 THR 64 -5.291 -14.408 3.882 531 3HG2 THR 64 2HG2 THR 64 -4.988 -15.413 2.466 532 H THR 65 H THR 65 -9.241 -14.232 2.214 533 HA THR 65 HA THR 65 -10.726 -15.737 0.098 534 HB THR 65 HB THR 65 -11.465 -15.539 3.029 535 HG1 THR 65 HG1 THR 65 -9.550 -16.650 2.905 536 1HG2 THR 65 3HG2 THR 65 -13.245 -16.087 1.331 537 2HG2 THR 65 2HG2 THR 65 -12.307 -17.515 0.896 538 3HG2 THR 65 1HG2 THR 65 -12.969 -17.357 2.523 539 H ALA 66 HN ALA 66 -10.383 -12.969 -0.161 540 HA ALA 66 HA ALA 66 -13.144 -12.094 -0.275 541 1HB ALA 66 2HB ALA 66 -11.946 -11.669 2.181 542 2HB ALA 66 1HB ALA 66 -11.671 -10.139 1.348 543 3HB ALA 66 3HB ALA 66 -13.313 -10.753 1.546 544 1H MET 1 3H MET 1 7.966 20.239 -9.693 545 2H MET 1 2H MET 1 7.103 21.038 -10.919 546 3H MET 1 1H MET 1 6.551 19.547 -10.324 547 HA MET 1 HA MET 1 7.539 18.934 -12.301 548 1HB MET 1 2HB MET 1 9.867 19.868 -12.853 549 2HB MET 1 1HB MET 1 8.517 20.995 -12.984 550 1HG MET 1 2HG MET 1 9.295 22.288 -11.298 551 2HG MET 1 1HG MET 1 9.661 20.890 -10.288 552 1HE MET 1 1HE MET 1 10.883 23.500 -10.523 553 2HE MET 1 3HE MET 1 12.641 23.379 -10.690 554 3HE MET 1 2HE MET 1 11.652 23.855 -12.069 555 H GLU 2 H GLU 2 7.689 16.926 -11.239 556 HA GLU 2 HA GLU 2 10.213 16.446 -9.711 557 1HB GLU 2 2HB GLU 2 7.583 14.931 -9.684 558 2HB GLU 2 1HB GLU 2 9.019 14.472 -8.768 559 1HG GLU 2 2HG GLU 2 8.966 16.710 -7.650 560 2HG GLU 2 1HG GLU 2 7.452 17.053 -8.488 561 H GLN 3 H GLN 3 10.921 14.020 -9.975 562 HA GLN 3 HA GLN 3 11.343 13.591 -12.838 563 1HB GLN 3 2HB GLN 3 12.349 12.368 -10.301 564 2HB GLN 3 1HB GLN 3 12.455 11.411 -11.779 565 1HG GLN 3 2HG GLN 3 13.523 13.477 -12.859 566 2HG GLN 3 1HG GLN 3 13.691 14.112 -11.222 567 1HE2 GLN 3 2HE2 GLN 3 15.673 10.873 -10.577 568 2HE2 GLN 3 1HE2 GLN 3 14.069 11.260 -10.176 569 NH1 ARG 4 NH2 ARG 4 4.374 13.832 -10.634 570 NH2 ARG 4 NH1 ARG 4 2.897 13.513 -12.313 571 H ARG 4 H ARG 4 9.711 12.666 -13.995 572 HA ARG 4 HA ARG 4 8.134 10.492 -12.681 573 1HB ARG 4 2HB ARG 4 7.421 12.229 -15.066 574 2HB ARG 4 1HB ARG 4 6.390 10.985 -14.356 575 1HG ARG 4 2HG ARG 4 7.460 13.351 -12.797 576 2HG ARG 4 1HG ARG 4 5.876 13.334 -13.577 577 1HD ARG 4 2HD ARG 4 6.380 10.943 -11.956 578 2HD ARG 4 1HD ARG 4 6.403 12.433 -11.013 579 HE ARG 4 HE ARG 4 4.061 11.248 -12.276 580 1HH1 ARG 4 1HH2 ARG 4 5.179 13.534 -10.120 581 2HH1 ARG 4 2HH2 ARG 4 3.896 14.670 -10.372 582 1HH2 ARG 4 2HH1 ARG 4 2.570 12.971 -13.087 583 2HH2 ARG 4 1HH1 ARG 4 2.419 14.351 -12.052 584 H ILE 5 H ILE 5 9.037 8.566 -13.252 585 HA ILE 5 HA ILE 5 9.585 8.123 -16.155 586 HB ILE 5 HB ILE 5 11.254 7.231 -13.791 587 1HG1 ILE 5 2HG1 ILE 5 12.987 8.346 -15.495 588 2HG1 ILE 5 1HG1 ILE 5 11.540 9.219 -16.004 589 1HG2 ILE 5 2HG2 ILE 5 11.397 6.445 -16.715 590 2HG2 ILE 5 1HG2 ILE 5 12.660 6.104 -15.532 591 3HG2 ILE 5 3HG2 ILE 5 11.064 5.376 -15.352 592 1HD1 ILE 5 3HD1 ILE 5 11.554 9.169 -13.153 593 2HD1 ILE 5 2HD1 ILE 5 13.159 9.672 -13.686 594 3HD1 ILE 5 1HD1 ILE 5 11.735 10.566 -14.215 595 H THR 6 H THR 6 8.729 6.202 -16.938 596 HA THR 6 HA THR 6 6.778 4.813 -15.361 597 HB THR 6 HB THR 6 7.931 3.379 -17.679 598 HG1 THR 6 HG1 THR 6 6.472 5.691 -18.242 599 1HG2 THR 6 2HG2 THR 6 5.709 2.964 -16.459 600 2HG2 THR 6 1HG2 THR 6 5.132 4.429 -17.254 601 3HG2 THR 6 3HG2 THR 6 5.644 3.044 -18.220 602 H LEU 7 H LEU 7 6.867 2.558 -14.653 603 HA LEU 7 HA LEU 7 9.255 1.888 -13.232 604 1HB LEU 7 2HB LEU 7 7.150 1.004 -12.454 605 2HB LEU 7 1HB LEU 7 6.835 0.238 -14.011 606 HG LEU 7 HG LEU 7 8.836 -1.201 -13.679 607 1HD1 LEU 7 2HD1 LEU 7 9.562 0.691 -11.816 608 2HD1 LEU 7 1HD1 LEU 7 8.991 -0.630 -10.796 609 3HD1 LEU 7 3HD1 LEU 7 10.287 -0.910 -11.958 610 1HD2 LEU 7 3HD2 LEU 7 6.813 -1.262 -11.416 611 2HD2 LEU 7 2HD2 LEU 7 6.613 -2.014 -12.998 612 3HD2 LEU 7 1HD2 LEU 7 7.850 -2.607 -11.888 613 H LYS 8 H LYS 8 8.291 1.366 -16.501 614 HA LYS 8 HA LYS 8 10.173 -0.861 -16.917 615 1HB LYS 8 2HB LYS 8 9.364 -0.849 -19.208 616 2HB LYS 8 1HB LYS 8 7.979 -0.722 -18.124 617 1HG LYS 8 2HG LYS 8 7.387 1.235 -19.056 618 2HG LYS 8 1HG LYS 8 8.973 1.916 -18.689 619 1HD LYS 8 2HD LYS 8 9.820 0.644 -20.752 620 2HD LYS 8 1HD LYS 8 8.121 0.411 -21.165 621 1HE LYS 8 2HE LYS 8 9.396 3.112 -20.650 622 2HE LYS 8 1HE LYS 8 9.120 2.431 -22.253 623 1HZ LYS 8 1HZ LYS 8 6.800 2.362 -20.558 624 2HZ LYS 8 3HZ LYS 8 7.352 3.937 -20.865 625 3HZ LYS 8 2HZ LYS 8 6.959 2.906 -22.159 626 H ASP 9 H ASP 9 10.112 2.609 -17.218 627 HA ASP 9 HA ASP 9 12.479 2.658 -18.970 628 1HB ASP 9 2HB ASP 9 10.521 4.611 -17.949 629 2HB ASP 9 1HB ASP 9 12.172 5.226 -18.038 630 OH TYR 10 OH TYR 10 16.386 3.603 -8.893 631 H TYR 10 H TYR 10 11.689 3.064 -15.569 632 HA TYR 10 HA TYR 10 14.405 3.924 -14.873 633 1HB TYR 10 2HB TYR 10 12.542 4.754 -13.532 634 2HB TYR 10 1HB TYR 10 12.022 3.107 -13.177 635 HD1 TYR 10 HD2 TYR 10 15.477 4.523 -13.263 636 HD2 TYR 10 HD1 TYR 10 12.333 2.875 -10.848 637 HE1 TYR 10 HE2 TYR 10 17.008 4.464 -11.314 638 HE2 TYR 10 HE1 TYR 10 13.862 2.818 -8.896 639 HH TYR 10 HH TYR 10 16.316 4.443 -8.434 640 H ALA 11 H ALA 11 12.508 0.974 -14.939 641 HA ALA 11 HA ALA 11 14.523 -0.576 -13.483 642 1HB ALA 11 3HB ALA 11 12.055 -1.093 -13.432 643 2HB ALA 11 2HB ALA 11 12.180 -1.582 -15.122 644 3HB ALA 11 1HB ALA 11 13.065 -2.468 -13.880 645 H MET 12 H MET 12 13.696 0.105 -16.841 646 HA MET 12 HA MET 12 15.565 -1.973 -17.795 647 1HB MET 12 2HB MET 12 13.926 0.067 -19.325 648 2HB MET 12 1HB MET 12 14.849 -1.253 -20.044 649 1HG MET 12 2HG MET 12 13.469 -2.907 -18.950 650 2HG MET 12 1HG MET 12 12.641 -1.666 -18.011 651 1HE MET 12 1HE MET 12 11.509 -4.009 -19.924 652 2HE MET 12 3HE MET 12 11.066 -3.524 -21.566 653 3HE MET 12 2HE MET 12 12.759 -3.754 -21.139 654 NH1 ARG 13 NH2 ARG 13 15.316 7.185 -18.671 655 NH2 ARG 13 NH1 ARG 13 15.817 7.921 -20.749 656 H ARG 13 H ARG 13 15.345 1.558 -17.644 657 HA ARG 13 HA ARG 13 17.895 1.897 -19.043 658 1HB ARG 13 2HB ARG 13 16.242 3.916 -17.497 659 2HB ARG 13 1HB ARG 13 17.580 4.286 -18.582 660 1HG ARG 13 2HG ARG 13 15.899 2.648 -20.098 661 2HG ARG 13 1HG ARG 13 14.800 3.716 -19.225 662 1HD ARG 13 2HD ARG 13 17.125 5.152 -20.243 663 2HD ARG 13 1HD ARG 13 16.223 4.362 -21.536 664 HE ARG 13 HE ARG 13 14.212 5.607 -20.751 665 1HH1 ARG 13 1HH2 ARG 13 15.009 6.453 -18.062 666 2HH1 ARG 13 2HH2 ARG 13 15.546 8.082 -18.297 667 1HH2 ARG 13 2HH1 ARG 13 15.895 7.754 -21.732 668 2HH2 ARG 13 1HH1 ARG 13 16.046 8.820 -20.376 669 H PHE 14 H PHE 14 16.822 1.624 -15.717 670 HA PHE 14 HA PHE 14 19.624 2.237 -14.862 671 1HB PHE 14 2HB PHE 14 17.124 2.374 -13.157 672 2HB PHE 14 1HB PHE 14 18.741 2.913 -12.713 673 HD1 PHE 14 HD2 PHE 14 16.263 3.417 -15.503 674 HD2 PHE 14 HD1 PHE 14 19.199 5.180 -12.907 675 HE1 PHE 14 HE2 PHE 14 15.814 5.639 -16.504 676 HE2 PHE 14 HE1 PHE 14 18.747 7.401 -13.909 677 HZ PHE 14 HZ PHE 14 17.056 7.632 -15.707 678 H GLY 15 H GLY 15 17.351 -0.230 -15.245 679 1HA GLY 15 2HA GLY 15 18.061 -2.543 -14.873 680 2HA GLY 15 1HA GLY 15 18.985 -1.989 -13.477 681 H GLN 16 H GLN 16 16.532 -3.894 -14.022 682 HA GLN 16 HA GLN 16 14.347 -2.836 -12.495 683 1HB GLN 16 2HB GLN 16 15.090 -5.763 -12.698 684 2HB GLN 16 1HB GLN 16 13.482 -5.066 -12.490 685 1HG GLN 16 2HG GLN 16 13.926 -3.884 -14.753 686 2HG GLN 16 1HG GLN 16 15.227 -5.059 -14.951 687 1HE2 GLN 16 2HE2 GLN 16 12.812 -7.239 -16.333 688 2HE2 GLN 16 1HE2 GLN 16 14.248 -6.370 -16.585 689 H THR 17 H THR 17 17.444 -4.015 -11.598 690 HA THR 17 HA THR 17 16.776 -4.902 -8.921 691 HB THR 17 HB THR 17 18.858 -5.598 -10.079 692 HG1 THR 17 HG1 THR 17 19.936 -5.610 -8.246 693 1HG2 THR 17 2HG2 THR 17 19.130 -3.241 -11.105 694 2HG2 THR 17 1HG2 THR 17 19.905 -2.817 -9.578 695 3HG2 THR 17 3HG2 THR 17 20.593 -4.084 -10.595 696 H LYS 18 H LYS 18 18.114 -1.877 -10.268 697 HA LYS 18 HA LYS 18 18.291 -0.514 -7.752 698 1HB LYS 18 2HB LYS 18 17.843 0.711 -10.491 699 2HB LYS 18 1HB LYS 18 18.521 1.514 -9.074 700 1HG LYS 18 2HG LYS 18 20.379 -0.176 -9.082 701 2HG LYS 18 1HG LYS 18 19.742 -0.797 -10.606 702 1HD LYS 18 2HD LYS 18 19.903 1.637 -11.451 703 2HD LYS 18 1HD LYS 18 20.928 1.921 -10.044 704 1HE LYS 18 2HE LYS 18 22.587 0.434 -10.792 705 2HE LYS 18 1HE LYS 18 21.481 -0.392 -11.890 706 1HZ LYS 18 1HZ LYS 18 21.344 1.783 -13.117 707 2HZ LYS 18 3HZ LYS 18 22.662 2.307 -12.187 708 3HZ LYS 18 2HZ LYS 18 22.832 0.970 -13.221 709 H THR 19 H THR 19 15.665 -1.001 -10.039 710 HA THR 19 HA THR 19 13.908 0.959 -8.792 711 HB THR 19 HB THR 19 13.154 -1.385 -10.562 712 HG1 THR 19 HG1 THR 19 13.140 0.657 -12.030 713 1HG2 THR 19 3HG2 THR 19 11.740 0.954 -9.417 714 2HG2 THR 19 2HG2 THR 19 11.425 0.632 -11.121 715 3HG2 THR 19 1HG2 THR 19 11.104 -0.614 -9.915 716 H ALA 20 H ALA 20 14.619 -2.450 -8.372 717 HA ALA 20 HA ALA 20 12.332 -2.867 -6.573 718 1HB ALA 20 2HB ALA 20 14.359 -4.531 -7.884 719 2HB ALA 20 1HB ALA 20 14.063 -5.005 -6.211 720 3HB ALA 20 3HB ALA 20 12.728 -4.955 -7.362 721 H LYS 21 H LYS 21 15.529 -1.680 -6.362 722 HA LYS 21 HA LYS 21 15.897 -2.410 -3.538 723 1HB LYS 21 2HB LYS 21 17.655 -1.835 -5.553 724 2HB LYS 21 1HB LYS 21 17.600 -0.292 -4.699 725 1HG LYS 21 2HG LYS 21 18.006 -2.928 -3.273 726 2HG LYS 21 1HG LYS 21 19.350 -1.949 -3.864 727 1HD LYS 21 2HD LYS 21 17.875 -0.065 -2.548 728 2HD LYS 21 1HD LYS 21 17.555 -1.492 -1.561 729 1HE LYS 21 2HE LYS 21 20.229 -1.760 -1.920 730 2HE LYS 21 1HE LYS 21 20.089 -0.003 -1.967 731 1HZ LYS 21 3HZ LYS 21 18.720 -0.231 0.115 732 2HZ LYS 21 2HZ LYS 21 19.252 -1.843 0.196 733 3HZ LYS 21 1HZ LYS 21 20.375 -0.569 0.277 734 H ASP 22 H ASP 22 14.940 0.398 -5.448 735 HA ASP 22 HA ASP 22 14.837 2.155 -3.104 736 1HB ASP 22 2HB ASP 22 15.087 2.640 -5.776 737 2HB ASP 22 1HB ASP 22 13.360 2.924 -5.554 738 H LEU 23 H LEU 23 12.606 0.224 -5.030 739 HA LEU 23 HA LEU 23 10.280 1.224 -3.520 740 1HB LEU 23 2HB LEU 23 10.657 -0.709 -5.805 741 2HB LEU 23 1HB LEU 23 9.119 -0.611 -4.945 742 HG LEU 23 HG LEU 23 10.253 2.003 -5.694 743 1HD1 LEU 23 1HD1 LEU 23 10.106 -0.132 -7.658 744 2HD1 LEU 23 3HD1 LEU 23 8.991 1.173 -8.062 745 3HD1 LEU 23 2HD1 LEU 23 10.708 1.514 -7.848 746 1HD2 LEU 23 3HD2 LEU 23 7.625 0.591 -5.566 747 2HD2 LEU 23 2HD2 LEU 23 8.074 2.182 -4.953 748 3HD2 LEU 23 1HD2 LEU 23 7.756 1.958 -6.674 749 H GLY 24 H GLY 24 12.557 -1.372 -3.385 750 1HA GLY 24 2HA GLY 24 12.810 -2.796 -1.466 751 2HA GLY 24 1HA GLY 24 11.140 -2.448 -1.017 752 H VAL 25 H VAL 25 10.020 -2.981 -3.634 753 HA VAL 25 HA VAL 25 9.406 -5.719 -3.423 754 HB VAL 25 HB VAL 25 8.938 -5.437 -6.003 755 1HG1 VAL 25 2HG1 VAL 25 7.604 -4.069 -3.679 756 2HG1 VAL 25 1HG1 VAL 25 6.958 -3.869 -5.309 757 3HG1 VAL 25 3HG1 VAL 25 7.067 -5.478 -4.594 758 1HG2 VAL 25 3HG2 VAL 25 10.412 -3.129 -5.540 759 2HG2 VAL 25 2HG2 VAL 25 9.368 -3.416 -6.932 760 3HG2 VAL 25 1HG2 VAL 25 8.747 -2.552 -5.526 761 OH TYR 26 OH TYR 26 7.603 -10.156 -1.788 762 H TYR 26 H TYR 26 9.991 -7.422 -5.134 763 HA TYR 26 HA TYR 26 12.949 -7.411 -5.445 764 1HB TYR 26 2HB TYR 26 11.741 -9.881 -6.304 765 2HB TYR 26 1HB TYR 26 12.832 -9.607 -4.949 766 HD1 TYR 26 HD1 TYR 26 11.931 -9.053 -2.699 767 HD2 TYR 26 HD2 TYR 26 9.355 -10.039 -5.993 768 HE1 TYR 26 HE1 TYR 26 10.055 -9.430 -1.121 769 HE2 TYR 26 HE2 TYR 26 7.480 -10.413 -4.415 770 HH TYR 26 HH TYR 26 7.331 -11.073 -1.864 771 H GLN 27 H GLN 27 13.751 -8.450 -7.547 772 HA GLN 27 HA GLN 27 12.702 -6.961 -9.778 773 1HB GLN 27 2HB GLN 27 14.595 -9.333 -9.767 774 2HB GLN 27 1HB GLN 27 14.344 -8.222 -11.113 775 1HG GLN 27 2HG GLN 27 15.204 -6.362 -9.816 776 2HG GLN 27 1HG GLN 27 15.302 -7.365 -8.369 777 1HE2 GLN 27 2HE2 GLN 27 18.319 -7.453 -11.059 778 2HE2 GLN 27 1HE2 GLN 27 16.997 -6.401 -11.229 779 H SER 28 H SER 28 11.714 -9.870 -8.325 780 HA SER 28 HA SER 28 10.715 -11.165 -10.742 781 1HB SER 28 2HB SER 28 9.771 -11.696 -7.922 782 2HB SER 28 1HB SER 28 9.800 -12.809 -9.288 783 HG SER 28 HG SER 28 12.110 -12.623 -9.222 784 H ALA 29 H ALA 29 9.495 -8.853 -8.408 785 HA ALA 29 HA ALA 29 6.725 -9.110 -9.372 786 1HB ALA 29 3HB ALA 29 8.011 -7.999 -7.070 787 2HB ALA 29 2HB ALA 29 7.136 -6.700 -7.881 788 3HB ALA 29 1HB ALA 29 6.281 -8.158 -7.375 789 H ILE 30 H ILE 30 9.494 -6.967 -9.688 790 HA ILE 30 HA ILE 30 8.130 -4.972 -11.282 791 HB ILE 30 HB ILE 30 11.049 -5.662 -10.863 792 1HG1 ILE 30 2HG1 ILE 30 9.231 -3.430 -9.903 793 2HG1 ILE 30 1HG1 ILE 30 9.965 -4.696 -8.917 794 1HG2 ILE 30 3HG2 ILE 30 9.801 -4.041 -12.918 795 2HG2 ILE 30 2HG2 ILE 30 10.840 -3.060 -11.882 796 3HG2 ILE 30 1HG2 ILE 30 11.499 -4.469 -12.714 797 1HD1 ILE 30 3HD1 ILE 30 12.221 -3.830 -9.572 798 2HD1 ILE 30 2HD1 ILE 30 11.425 -2.503 -10.416 799 3HD1 ILE 30 1HD1 ILE 30 11.268 -2.655 -8.666 800 H ASN 31 H ASN 31 9.548 -8.070 -11.875 801 HA ASN 31 HA ASN 31 9.903 -7.699 -14.749 802 1HB ASN 31 2HB ASN 31 10.263 -9.873 -12.777 803 2HB ASN 31 1HB ASN 31 9.781 -10.409 -14.387 804 1HD2 ASN 31 2HD2 ASN 31 13.083 -10.078 -15.537 805 2HD2 ASN 31 1HD2 ASN 31 11.634 -10.962 -15.540 806 H LYS 32 H LYS 32 7.580 -9.545 -12.728 807 HA LYS 32 HA LYS 32 5.871 -10.235 -14.922 808 1HB LYS 32 2HB LYS 32 4.180 -10.723 -13.176 809 2HB LYS 32 1HB LYS 32 5.750 -11.418 -12.773 810 1HG LYS 32 2HG LYS 32 6.241 -9.600 -11.263 811 2HG LYS 32 1HG LYS 32 4.788 -8.734 -11.764 812 1HD LYS 32 2HD LYS 32 3.961 -9.740 -9.859 813 2HD LYS 32 1HD LYS 32 3.628 -11.028 -11.018 814 1HE LYS 32 2HE LYS 32 6.267 -11.492 -10.274 815 2HE LYS 32 1HE LYS 32 5.495 -10.996 -8.769 816 1HZ LYS 32 2HZ LYS 32 3.662 -12.650 -9.823 817 2HZ LYS 32 1HZ LYS 32 5.102 -13.383 -10.342 818 3HZ LYS 32 3HZ LYS 32 4.836 -13.118 -8.689 819 H ALA 33 H ALA 33 6.210 -7.367 -12.964 820 HA ALA 33 HA ALA 33 3.655 -6.194 -13.629 821 1HB ALA 33 3HB ALA 33 6.246 -5.183 -12.500 822 2HB ALA 33 2HB ALA 33 5.048 -4.019 -13.067 823 3HB ALA 33 1HB ALA 33 4.634 -5.155 -11.784 824 H ILE 34 H ILE 34 6.932 -5.887 -14.961 825 HA ILE 34 HA ILE 34 6.142 -4.068 -17.077 826 HB ILE 34 HB ILE 34 8.570 -5.830 -16.662 827 1HG1 ILE 34 2HG1 ILE 34 8.038 -2.850 -16.473 828 2HG1 ILE 34 1HG1 ILE 34 8.486 -3.940 -15.159 829 1HG2 ILE 34 2HG2 ILE 34 8.050 -5.501 -19.097 830 2HG2 ILE 34 1HG2 ILE 34 8.141 -3.759 -18.835 831 3HG2 ILE 34 3HG2 ILE 34 9.573 -4.763 -18.598 832 1HD1 ILE 34 3HD1 ILE 34 10.601 -4.432 -16.596 833 2HD1 ILE 34 2HD1 ILE 34 10.185 -2.938 -17.435 834 3HD1 ILE 34 1HD1 ILE 34 10.530 -2.911 -15.705 835 H HIS 35 H HIS 35 6.014 -7.494 -16.606 836 HA HIS 35 HA HIS 35 5.889 -8.201 -19.427 837 1HB HIS 35 2HB HIS 35 5.297 -9.654 -16.848 838 2HB HIS 35 1HB HIS 35 4.912 -10.378 -18.409 839 HD1 HIS 35 HD1 HIS 35 7.420 -10.735 -16.096 840 HD2 HIS 35 HD2 HIS 35 7.557 -9.715 -20.136 841 HE1 HIS 35 HE1 HIS 35 9.768 -11.262 -16.889 842 H ALA 36 H ALA 36 3.696 -6.879 -17.147 843 HA ALA 36 HA ALA 36 1.298 -7.854 -18.560 844 1HB ALA 36 2HB ALA 36 1.875 -6.699 -15.981 845 2HB ALA 36 1HB ALA 36 0.626 -5.749 -16.786 846 3HB ALA 36 3HB ALA 36 0.391 -7.478 -16.532 847 H GLY 37 H GLY 37 3.484 -5.201 -18.693 848 1HA GLY 37 2HA GLY 37 3.516 -3.297 -20.065 849 2HA GLY 37 1HA GLY 37 2.277 -4.095 -21.035 850 NH1 ARG 38 NH1 ARG 38 -3.604 -6.513 -15.364 851 NH2 ARG 38 NH2 ARG 38 -3.500 -6.818 -17.602 852 H ARG 38 H ARG 38 1.628 -3.624 -17.664 853 HA ARG 38 HA ARG 38 -0.715 -2.028 -18.251 854 1HB ARG 38 2HB ARG 38 0.375 -3.430 -15.995 855 2HB ARG 38 1HB ARG 38 -0.032 -1.787 -15.498 856 1HG ARG 38 2HG ARG 38 -2.022 -3.078 -15.191 857 2HG ARG 38 1HG ARG 38 -2.277 -2.132 -16.657 858 1HD ARG 38 2HD ARG 38 -1.816 -4.007 -18.064 859 2HD ARG 38 1HD ARG 38 -1.181 -4.950 -16.714 860 HE ARG 38 HE ARG 38 -4.044 -4.131 -16.680 861 1HH1 ARG 38 2HH1 ARG 38 -3.575 -5.904 -14.571 862 2HH1 ARG 38 1HH1 ARG 38 -3.742 -7.495 -15.236 863 1HH2 ARG 38 1HH2 ARG 38 -3.390 -6.444 -18.523 864 2HH2 ARG 38 2HH2 ARG 38 -3.637 -7.800 -17.475 865 H LYS 39 H LYS 39 -1.029 0.112 -16.952 866 HA LYS 39 HA LYS 39 1.205 1.890 -17.702 867 1HB LYS 39 2HB LYS 39 -1.684 2.186 -17.193 868 2HB LYS 39 1HB LYS 39 -0.700 3.510 -16.568 869 1HG LYS 39 2HG LYS 39 -1.318 4.048 -18.848 870 2HG LYS 39 1HG LYS 39 0.402 3.663 -18.823 871 1HD LYS 39 2HD LYS 39 -0.654 1.189 -19.245 872 2HD LYS 39 1HD LYS 39 -1.837 2.196 -20.081 873 1HE LYS 39 2HE LYS 39 0.957 2.967 -20.594 874 2HE LYS 39 1HE LYS 39 0.542 1.353 -21.171 875 1HZ LYS 39 3HZ LYS 39 -1.465 3.343 -21.719 876 2HZ LYS 39 2HZ LYS 39 0.021 3.649 -22.484 877 3HZ LYS 39 1HZ LYS 39 -0.785 2.176 -22.746 878 H ILE 40 H ILE 40 2.555 0.882 -15.995 879 HA ILE 40 HA ILE 40 1.911 1.828 -13.248 880 HB ILE 40 HB ILE 40 4.136 0.020 -14.250 881 1HG1 ILE 40 2HG1 ILE 40 2.004 -0.936 -12.414 882 2HG1 ILE 40 1HG1 ILE 40 1.504 -0.615 -14.075 883 1HG2 ILE 40 2HG2 ILE 40 3.511 1.279 -11.631 884 2HG2 ILE 40 1HG2 ILE 40 3.957 -0.426 -11.586 885 3HG2 ILE 40 3HG2 ILE 40 5.063 0.756 -12.286 886 1HD1 ILE 40 2HD1 ILE 40 3.933 -2.286 -13.393 887 2HD1 ILE 40 1HD1 ILE 40 2.329 -2.981 -13.621 888 3HD1 ILE 40 3HD1 ILE 40 3.124 -2.144 -14.954 889 H PHE 41 H PHE 41 2.520 3.936 -13.027 890 HA PHE 41 HA PHE 41 5.021 4.836 -14.347 891 1HB PHE 41 2HB PHE 41 3.080 6.577 -12.825 892 2HB PHE 41 1HB PHE 41 4.198 7.043 -14.108 893 HD1 PHE 41 HD1 PHE 41 3.543 4.427 -15.772 894 HD2 PHE 41 HD2 PHE 41 1.141 7.534 -14.030 895 HE1 PHE 41 HE1 PHE 41 1.780 4.017 -17.464 896 HE2 PHE 41 HE2 PHE 41 -0.620 7.121 -15.723 897 HZ PHE 41 HZ PHE 41 -0.301 5.362 -17.439 898 H LEU 42 H LEU 42 6.621 6.018 -13.088 899 HA LEU 42 HA LEU 42 6.579 5.269 -10.192 900 1HB LEU 42 2HB LEU 42 8.545 4.783 -12.267 901 2HB LEU 42 1HB LEU 42 9.246 5.718 -10.949 902 HG LEU 42 HG LEU 42 8.522 4.060 -9.325 903 1HD1 LEU 42 3HD1 LEU 42 7.274 2.689 -11.723 904 2HD1 LEU 42 2HD1 LEU 42 7.391 1.983 -10.110 905 3HD1 LEU 42 1HD1 LEU 42 6.406 3.423 -10.376 906 1HD2 LEU 42 1HD2 LEU 42 9.870 2.902 -11.781 907 2HD2 LEU 42 3HD2 LEU 42 10.653 3.572 -10.350 908 3HD2 LEU 42 2HD2 LEU 42 9.769 2.051 -10.241 909 H THR 43 H THR 43 6.004 7.172 -9.209 910 HA THR 43 HA THR 43 7.150 9.726 -10.153 911 HB THR 43 HB THR 43 5.197 9.054 -7.929 912 HG1 THR 43 HG1 THR 43 3.933 9.112 -9.595 913 1HG2 THR 43 3HG2 THR 43 6.397 11.681 -8.817 914 2HG2 THR 43 2HG2 THR 43 4.873 11.590 -7.934 915 3HG2 THR 43 1HG2 THR 43 6.360 10.999 -7.191 916 H ILE 44 H ILE 44 9.321 9.753 -9.576 917 HA ILE 44 HA ILE 44 10.116 8.904 -6.862 918 HB ILE 44 HB ILE 44 11.954 10.168 -8.884 919 1HG1 ILE 44 2HG1 ILE 44 12.053 7.361 -9.189 920 2HG1 ILE 44 1HG1 ILE 44 10.346 7.796 -9.269 921 1HG2 ILE 44 3HG2 ILE 44 12.243 8.025 -6.759 922 2HG2 ILE 44 2HG2 ILE 44 13.532 8.515 -7.859 923 3HG2 ILE 44 1HG2 ILE 44 12.882 9.667 -6.691 924 1HD1 ILE 44 1HD1 ILE 44 11.249 9.733 -10.835 925 2HD1 ILE 44 3HD1 ILE 44 12.597 8.619 -11.065 926 3HD1 ILE 44 2HD1 ILE 44 10.958 8.119 -11.484 927 H ASN 45 H ASN 45 10.162 10.337 -5.207 928 HA ASN 45 HA ASN 45 9.792 13.187 -5.691 929 1HB ASN 45 2HB ASN 45 9.885 11.387 -3.330 930 2HB ASN 45 1HB ASN 45 10.373 13.059 -3.052 931 1HD2 ASN 45 2HD2 ASN 45 7.098 14.352 -4.002 932 2HD2 ASN 45 1HD2 ASN 45 8.745 14.704 -4.218 933 H ALA 46 H ALA 46 11.307 14.816 -5.288 934 HA ALA 46 HA ALA 46 13.963 14.447 -6.058 935 1HB ALA 46 1HB ALA 46 12.868 16.660 -5.877 936 2HB ALA 46 3HB ALA 46 12.935 16.539 -4.118 937 3HB ALA 46 2HB ALA 46 14.427 16.640 -5.054 938 H ASP 47 H ASP 47 12.544 13.655 -3.000 939 HA ASP 47 HA ASP 47 15.128 13.642 -1.592 940 1HB ASP 47 2HB ASP 47 12.384 12.660 -0.746 941 2HB ASP 47 1HB ASP 47 13.798 12.748 0.304 942 H GLY 48 H GLY 48 14.856 11.949 -3.972 943 1HA GLY 48 2HA GLY 48 15.362 9.763 -4.644 944 2HA GLY 48 1HA GLY 48 16.093 9.577 -3.048 945 H SER 49 H SER 49 12.721 10.431 -3.361 946 HA SER 49 HA SER 49 12.014 7.886 -2.020 947 1HB SER 49 2HB SER 49 9.776 9.633 -2.649 948 2HB SER 49 1HB SER 49 10.352 9.083 -1.078 949 HG SER 49 HG SER 49 11.598 10.819 -0.909 950 H VAL 50 H VAL 50 10.381 6.470 -2.879 951 HA VAL 50 HA VAL 50 10.004 6.762 -5.836 952 HB VAL 50 HB VAL 50 9.971 4.130 -4.350 953 1HG1 VAL 50 2HG1 VAL 50 10.143 5.046 -7.213 954 2HG1 VAL 50 1HG1 VAL 50 10.768 3.464 -6.748 955 3HG1 VAL 50 3HG1 VAL 50 9.065 3.848 -6.497 956 1HG2 VAL 50 2HG2 VAL 50 12.196 5.751 -4.426 957 2HG2 VAL 50 1HG2 VAL 50 12.241 3.991 -4.330 958 3HG2 VAL 50 3HG2 VAL 50 12.392 4.795 -5.893 959 OH TYR 51 OH TYR 51 0.071 7.490 -3.564 960 H TYR 51 H TYR 51 7.907 6.877 -6.489 961 HA TYR 51 HA TYR 51 5.802 5.807 -4.662 962 1HB TYR 51 2HB TYR 51 6.077 8.336 -4.490 963 2HB TYR 51 1HB TYR 51 5.544 8.421 -6.170 964 HD1 TYR 51 HD1 TYR 51 4.540 6.909 -2.883 965 HD2 TYR 51 HD2 TYR 51 3.262 8.575 -6.632 966 HE1 TYR 51 HE1 TYR 51 2.179 6.753 -2.147 967 HE2 TYR 51 HE2 TYR 51 0.900 8.420 -5.894 968 HH TYR 51 HH TYR 51 -0.029 6.682 -3.055 969 H ALA 52 H ALA 52 5.957 4.017 -6.291 970 HA ALA 52 HA ALA 52 5.153 4.586 -9.038 971 1HB ALA 52 2HB ALA 52 6.601 2.616 -8.230 972 2HB ALA 52 1HB ALA 52 5.093 1.880 -7.689 973 3HB ALA 52 3HB ALA 52 5.336 2.240 -9.399 974 H GLU 53 H GLU 53 3.085 4.630 -9.813 975 HA GLU 53 HA GLU 53 0.923 3.426 -8.164 976 1HB GLU 53 2HB GLU 53 1.393 6.273 -8.586 977 2HB GLU 53 1HB GLU 53 -0.197 5.779 -9.168 978 1HG GLU 53 2HG GLU 53 -0.104 4.433 -6.806 979 2HG GLU 53 1HG GLU 53 0.860 5.855 -6.402 980 H GLU 54 H GLU 54 -0.967 2.917 -9.405 981 HA GLU 54 HA GLU 54 -0.382 2.591 -12.296 982 1HB GLU 54 2HB GLU 54 -1.246 0.711 -10.677 983 2HB GLU 54 1HB GLU 54 -2.816 1.480 -10.918 984 1HG GLU 54 2HG GLU 54 -3.018 0.530 -12.946 985 2HG GLU 54 1HG GLU 54 -1.469 1.204 -13.454 986 H VAL 55 H VAL 55 -1.456 3.808 -13.802 987 HA VAL 55 HA VAL 55 -3.995 5.125 -13.049 988 HB VAL 55 HB VAL 55 -2.524 7.093 -14.459 989 1HG1 VAL 55 3HG1 VAL 55 -4.246 6.891 -12.297 990 2HG1 VAL 55 2HG1 VAL 55 -2.756 7.488 -11.567 991 3HG1 VAL 55 1HG1 VAL 55 -3.510 8.383 -12.886 992 1HG2 VAL 55 2HG2 VAL 55 -0.535 5.710 -13.533 993 2HG2 VAL 55 1HG2 VAL 55 -0.540 7.445 -13.218 994 3HG2 VAL 55 3HG2 VAL 55 -1.027 6.318 -11.953 995 H LYS 56 H LYS 56 -5.223 4.210 -14.640 996 HA LYS 56 HA LYS 56 -4.467 4.837 -17.428 997 1HB LYS 56 2HB LYS 56 -3.497 2.678 -17.272 998 2HB LYS 56 1HB LYS 56 -4.845 2.053 -16.327 999 1HG LYS 56 2HG LYS 56 -5.800 1.347 -18.246 1000 2HG LYS 56 1HG LYS 56 -5.951 3.027 -18.755 1001 1HD LYS 56 2HD LYS 56 -3.611 2.926 -19.629 1002 2HD LYS 56 1HD LYS 56 -3.580 1.207 -19.237 1003 1HE LYS 56 2HE LYS 56 -5.741 1.051 -20.656 1004 2HE LYS 56 1HE LYS 56 -5.278 2.634 -21.280 1005 1HZ LYS 56 1HZ LYS 56 -3.194 0.608 -21.222 1006 2HZ LYS 56 3HZ LYS 56 -4.443 0.355 -22.342 1007 3HZ LYS 56 2HZ LYS 56 -3.531 1.789 -22.397 1008 HA PRO 57 HA PRO 57 -8.833 5.547 -17.430 1009 1HB PRO 57 2HB PRO 57 -9.041 6.158 -20.099 1010 2HB PRO 57 1HB PRO 57 -8.398 7.278 -18.886 1011 1HG PRO 57 2HG PRO 57 -6.931 5.706 -20.953 1012 2HG PRO 57 1HG PRO 57 -6.482 7.235 -20.179 1013 1HD PRO 57 2HD PRO 57 -5.449 4.676 -19.536 1014 2HD PRO 57 1HD PRO 57 -5.254 6.157 -18.572 1015 H PHE 58 H PHE 58 -10.792 4.697 -18.587 1016 HA PHE 58 HA PHE 58 -10.440 1.845 -19.234 1017 1HB PHE 58 2HB PHE 58 -12.458 3.360 -18.017 1018 2HB PHE 58 1HB PHE 58 -13.135 2.904 -19.579 1019 HD1 PHE 58 HD1 PHE 58 -10.636 0.999 -17.576 1020 HD2 PHE 58 HD2 PHE 58 -14.699 1.225 -18.952 1021 HE1 PHE 58 HE1 PHE 58 -11.051 -1.294 -16.730 1022 HE2 PHE 58 HE2 PHE 58 -15.112 -1.069 -18.106 1023 HZ PHE 58 HZ PHE 58 -13.287 -2.328 -16.994 1024 HA PRO 59 HA PRO 59 -11.580 0.352 -20.187 1025 1HB PRO 59 2HB PRO 59 -10.782 -1.402 -22.143 1026 2HB PRO 59 1HB PRO 59 -12.435 -0.776 -22.007 1027 1HG PRO 59 2HG PRO 59 -10.307 -0.046 -23.965 1028 2HG PRO 59 1HG PRO 59 -12.068 0.039 -24.138 1029 1HD PRO 59 2HD PRO 59 -10.344 2.221 -23.600 1030 2HD PRO 59 1HD PRO 59 -12.115 2.227 -23.458 1031 H SER 60 H SER 60 -9.782 -1.764 -20.538 1032 HA SER 60 HA SER 60 -7.284 -0.529 -19.562 1033 1HB SER 60 2HB SER 60 -8.449 -2.532 -18.456 1034 2HB SER 60 1HB SER 60 -7.872 -3.484 -19.820 1035 HG SER 60 HG SER 60 -6.557 -2.863 -17.648 1036 H ASN 61 H ASN 61 -8.540 -1.769 -22.483 1037 HA ASN 61 HA ASN 61 -5.898 -2.582 -23.528 1038 1HB ASN 61 2HB ASN 61 -8.649 -2.485 -24.801 1039 2HB ASN 61 1HB ASN 61 -7.196 -3.064 -25.617 1040 1HD2 ASN 61 2HD2 ASN 61 -6.958 -5.785 -23.025 1041 2HD2 ASN 61 1HD2 ASN 61 -5.979 -4.456 -23.423 1042 H LYS 62 H LYS 62 -5.893 -1.690 -26.095 1043 HA LYS 62 HA LYS 62 -5.450 1.212 -25.728 1044 1HB LYS 62 2HB LYS 62 -3.841 -0.501 -26.895 1045 2HB LYS 62 1HB LYS 62 -4.911 -0.284 -28.280 1046 1HG LYS 62 2HG LYS 62 -3.971 1.704 -28.757 1047 2HG LYS 62 1HG LYS 62 -4.282 2.283 -27.122 1048 1HD LYS 62 2HD LYS 62 -1.844 2.260 -27.725 1049 2HD LYS 62 1HD LYS 62 -2.229 1.277 -26.311 1050 1HE LYS 62 2HE LYS 62 -1.724 -0.676 -27.370 1051 2HE LYS 62 1HE LYS 62 -2.410 -0.137 -28.903 1052 1HZ LYS 62 2HZ LYS 62 0.124 0.958 -27.840 1053 2HZ LYS 62 1HZ LYS 62 0.083 -0.430 -28.816 1054 3HZ LYS 62 3HZ LYS 62 -0.478 1.049 -29.426 1055 H LYS 63 H LYS 63 -6.628 2.782 -26.812 1056 HA LYS 63 HA LYS 63 -8.919 1.791 -28.464 1057 1HB LYS 63 2HB LYS 63 -10.127 3.819 -27.725 1058 2HB LYS 63 1HB LYS 63 -9.632 2.838 -26.345 1059 1HG LYS 63 2HG LYS 63 -8.012 4.348 -25.672 1060 2HG LYS 63 1HG LYS 63 -7.760 4.964 -27.307 1061 1HD LYS 63 2HD LYS 63 -10.110 5.945 -27.160 1062 2HD LYS 63 1HD LYS 63 -10.061 5.566 -25.439 1063 1HE LYS 63 2HE LYS 63 -7.616 6.886 -26.202 1064 2HE LYS 63 1HE LYS 63 -8.997 7.853 -26.720 1065 1HZ LYS 63 1HZ LYS 63 -9.513 6.845 -24.156 1066 2HZ LYS 63 3HZ LYS 63 -7.974 7.558 -24.140 1067 3HZ LYS 63 2HZ LYS 63 -9.324 8.464 -24.636 1068 H THR 64 H THR 64 -9.636 4.402 -29.422 1069 HA THR 64 HA THR 64 -7.214 5.368 -30.837 1070 HB THR 64 HB THR 64 -7.876 3.837 -32.479 1071 HG1 THR 64 HG1 THR 64 -7.842 5.817 -33.462 1072 1HG2 THR 64 2HG2 THR 64 -10.482 4.165 -31.185 1073 2HG2 THR 64 1HG2 THR 64 -10.598 4.050 -32.942 1074 3HG2 THR 64 3HG2 THR 64 -9.812 2.765 -32.024 1075 H THR 65 H THR 65 -7.368 7.547 -31.400 1076 HA THR 65 HA THR 65 -9.925 8.892 -30.622 1077 HB THR 65 HB THR 65 -7.916 9.406 -29.193 1078 HG1 THR 65 HG1 THR 65 -9.349 11.270 -30.686 1079 1HG2 THR 65 3HG2 THR 65 -6.374 9.270 -31.273 1080 2HG2 THR 65 2HG2 THR 65 -6.874 10.935 -31.572 1081 3HG2 THR 65 1HG2 THR 65 -6.037 10.520 -30.075 1082 H ALA 66 HN ALA 66 -10.944 10.023 -32.213 1083 HA ALA 66 HA ALA 66 -9.469 10.415 -34.780 1084 1HB ALA 66 2HB ALA 66 -12.351 9.952 -34.084 1085 2HB ALA 66 1HB ALA 66 -11.962 10.845 -35.554 1086 3HB ALA 66 3HB ALA 66 -11.371 9.197 -35.341 Start of MODEL 7 Raw file had 1086 H/Q atoms Start of MODEL 7 1 1H MET 1 1H MET 1 -19.015 19.771 -8.042 2 2H MET 1 3H MET 1 -20.332 20.543 -7.305 3 3H MET 1 2H MET 1 -18.940 20.192 -6.397 4 HA MET 1 HA MET 1 -19.441 18.005 -6.159 5 1HB MET 1 2HB MET 1 -21.914 19.660 -6.372 6 2HB MET 1 1HB MET 1 -22.123 17.911 -6.277 7 1HG MET 1 2HG MET 1 -20.328 18.189 -4.310 8 2HG MET 1 1HG MET 1 -21.036 19.802 -4.240 9 1HE MET 1 2HE MET 1 -21.109 18.510 -1.859 10 2HE MET 1 1HE MET 1 -22.515 17.591 -1.328 11 3HE MET 1 3HE MET 1 -21.225 16.795 -2.241 12 H GLU 2 H GLU 2 -18.451 17.698 -8.528 13 HA GLU 2 HA GLU 2 -20.211 17.138 -10.704 14 1HB GLU 2 2HB GLU 2 -17.385 16.646 -10.044 15 2HB GLU 2 1HB GLU 2 -18.092 15.429 -11.109 16 1HG GLU 2 2HG GLU 2 -17.195 17.206 -12.493 17 2HG GLU 2 1HG GLU 2 -18.957 17.295 -12.557 18 H GLN 3 H GLN 3 -20.435 14.810 -11.609 19 HA GLN 3 HA GLN 3 -21.700 13.195 -9.511 20 1HB GLN 3 2HB GLN 3 -21.532 13.041 -12.512 21 2HB GLN 3 1HB GLN 3 -22.117 11.661 -11.581 22 1HG GLN 3 2HG GLN 3 -24.094 12.664 -11.149 23 2HG GLN 3 1HG GLN 3 -23.311 14.179 -10.702 24 1HE2 GLN 3 2HE2 GLN 3 -25.106 13.950 -14.260 25 2HE2 GLN 3 1HE2 GLN 3 -25.364 12.843 -12.999 26 NH1 ARG 4 NH1 ARG 4 -12.997 12.707 -8.013 27 NH2 ARG 4 NH2 ARG 4 -11.925 11.905 -9.834 28 H ARG 4 H ARG 4 -19.514 12.832 -8.437 29 HA ARG 4 HA ARG 4 -17.766 10.895 -9.822 30 1HB ARG 4 2HB ARG 4 -17.618 12.396 -7.211 31 2HB ARG 4 1HB ARG 4 -16.544 11.032 -7.527 32 1HG ARG 4 2HG ARG 4 -16.842 13.348 -9.451 33 2HG ARG 4 1HG ARG 4 -15.631 13.327 -8.169 34 1HD ARG 4 2HD ARG 4 -15.072 10.943 -9.171 35 2HD ARG 4 1HD ARG 4 -15.826 11.612 -10.619 36 HE ARG 4 HE ARG 4 -14.051 13.249 -10.739 37 1HH1 ARG 4 2HH1 ARG 4 -13.817 13.091 -7.590 38 2HH1 ARG 4 1HH1 ARG 4 -12.175 12.553 -7.463 39 1HH2 ARG 4 1HH2 ARG 4 -11.924 11.676 -10.807 40 2HH2 ARG 4 2HH2 ARG 4 -11.104 11.751 -9.283 41 H ILE 5 H ILE 5 -18.231 8.762 -9.694 42 HA ILE 5 HA ILE 5 -19.213 7.645 -7.133 43 HB ILE 5 HB ILE 5 -20.600 7.082 -9.768 44 1HG1 ILE 5 2HG1 ILE 5 -22.512 8.261 -8.340 45 2HG1 ILE 5 1HG1 ILE 5 -21.131 9.053 -7.578 46 1HG2 ILE 5 2HG2 ILE 5 -21.242 6.322 -6.902 47 2HG2 ILE 5 1HG2 ILE 5 -22.246 5.951 -8.304 48 3HG2 ILE 5 3HG2 ILE 5 -20.645 5.228 -8.150 49 1HD1 ILE 5 3HD1 ILE 5 -20.358 9.419 -10.079 50 2HD1 ILE 5 2HD1 ILE 5 -22.075 9.213 -10.419 51 3HD1 ILE 5 1HD1 ILE 5 -21.537 10.505 -9.348 52 H THR 6 H THR 6 -18.736 5.376 -6.944 53 HA THR 6 HA THR 6 -16.433 4.544 -8.516 54 HB THR 6 HB THR 6 -17.973 2.695 -6.711 55 HG1 THR 6 HG1 THR 6 -17.626 3.954 -5.089 56 1HG2 THR 6 1HG2 THR 6 -15.357 2.832 -7.955 57 2HG2 THR 6 3HG2 THR 6 -15.212 2.675 -6.203 58 3HG2 THR 6 2HG2 THR 6 -16.124 1.479 -7.124 59 H LEU 7 H LEU 7 -16.359 2.581 -9.815 60 HA LEU 7 HA LEU 7 -18.441 2.354 -11.726 61 1HB LEU 7 2HB LEU 7 -16.252 1.606 -12.333 62 2HB LEU 7 1HB LEU 7 -16.169 0.509 -10.956 63 HG LEU 7 HG LEU 7 -18.160 -0.719 -11.979 64 1HD1 LEU 7 3HD1 LEU 7 -18.299 1.468 -13.616 65 2HD1 LEU 7 2HD1 LEU 7 -17.417 0.334 -14.639 66 3HD1 LEU 7 1HD1 LEU 7 -19.005 -0.100 -14.003 67 1HD2 LEU 7 2HD2 LEU 7 -15.783 -1.492 -12.115 68 2HD2 LEU 7 1HD2 LEU 7 -16.741 -1.975 -13.514 69 3HD2 LEU 7 3HD2 LEU 7 -15.621 -0.618 -13.638 70 H LYS 8 H LYS 8 -18.133 0.983 -8.572 71 HA LYS 8 HA LYS 8 -19.996 -1.220 -9.098 72 1HB LYS 8 2HB LYS 8 -19.663 -1.827 -6.822 73 2HB LYS 8 1HB LYS 8 -18.096 -1.250 -7.387 74 1HG LYS 8 2HG LYS 8 -18.856 1.063 -6.504 75 2HG LYS 8 1HG LYS 8 -20.083 0.162 -5.613 76 1HD LYS 8 2HD LYS 8 -17.205 -0.701 -5.486 77 2HD LYS 8 1HD LYS 8 -17.771 0.626 -4.471 78 1HE LYS 8 2HE LYS 8 -19.569 -1.695 -4.458 79 2HE LYS 8 1HE LYS 8 -17.960 -2.049 -3.827 80 1HZ LYS 8 2HZ LYS 8 -18.947 0.458 -2.894 81 2HZ LYS 8 1HZ LYS 8 -19.994 -0.815 -2.480 82 3HZ LYS 8 3HZ LYS 8 -18.366 -0.870 -2.009 83 H ASP 9 H ASP 9 -20.106 1.984 -7.594 84 HA ASP 9 HA ASP 9 -22.873 1.660 -6.721 85 1HB ASP 9 2HB ASP 9 -20.898 3.923 -6.792 86 2HB ASP 9 1HB ASP 9 -22.607 4.273 -6.532 87 OH TYR 10 OH TYR 10 -24.130 5.762 -16.665 88 H TYR 10 H TYR 10 -21.245 2.708 -9.609 89 HA TYR 10 HA TYR 10 -23.627 4.043 -10.708 90 1HB TYR 10 2HB TYR 10 -21.347 4.843 -11.275 91 2HB TYR 10 1HB TYR 10 -20.993 3.283 -12.015 92 HD1 TYR 10 HD1 TYR 10 -22.726 2.478 -13.835 93 HD2 TYR 10 HD2 TYR 10 -22.200 6.558 -12.613 94 HE1 TYR 10 HE1 TYR 10 -23.755 3.244 -15.958 95 HE2 TYR 10 HE2 TYR 10 -23.227 7.327 -14.737 96 HH TYR 10 HH TYR 10 -25.014 5.392 -16.717 97 H ALA 11 H ALA 11 -22.006 0.933 -10.885 98 HA ALA 11 HA ALA 11 -23.689 -0.003 -13.103 99 1HB ALA 11 1HB ALA 11 -21.489 -1.165 -11.432 100 2HB ALA 11 3HB ALA 11 -22.557 -2.259 -12.310 101 3HB ALA 11 2HB ALA 11 -21.618 -1.051 -13.188 102 H MET 12 H MET 12 -23.692 -0.143 -9.595 103 HA MET 12 HA MET 12 -25.790 -2.215 -9.576 104 1HB MET 12 2HB MET 12 -25.570 -2.216 -7.205 105 2HB MET 12 1HB MET 12 -23.930 -2.019 -7.825 106 1HG MET 12 2HG MET 12 -24.040 0.392 -7.462 107 2HG MET 12 1HG MET 12 -25.724 0.266 -6.950 108 1HE MET 12 1HE MET 12 -22.500 -1.639 -6.560 109 2HE MET 12 3HE MET 12 -21.946 -0.116 -5.851 110 3HE MET 12 2HE MET 12 -22.083 -1.559 -4.850 111 NH1 ARG 13 NH1 ARG 13 -28.126 6.060 -4.878 112 NH2 ARG 13 NH2 ARG 13 -29.965 5.051 -5.718 113 H ARG 13 H ARG 13 -25.484 1.264 -8.969 114 HA ARG 13 HA ARG 13 -28.304 1.506 -8.221 115 1HB ARG 13 2HB ARG 13 -26.119 3.523 -8.770 116 2HB ARG 13 1HB ARG 13 -27.780 4.001 -8.421 117 1HG ARG 13 2HG ARG 13 -26.117 2.218 -6.621 118 2HG ARG 13 1HG ARG 13 -26.311 3.956 -6.386 119 1HD ARG 13 2HD ARG 13 -28.916 2.937 -6.751 120 2HD ARG 13 1HD ARG 13 -28.112 1.817 -5.650 121 HE ARG 13 HE ARG 13 -27.945 3.574 -4.043 122 1HH1 ARG 13 2HH1 ARG 13 -27.216 5.999 -4.467 123 2HH1 ARG 13 1HH1 ARG 13 -28.534 6.954 -5.059 124 1HH2 ARG 13 1HH2 ARG 13 -30.464 4.215 -5.951 125 2HH2 ARG 13 2HH2 ARG 13 -30.375 5.944 -5.897 126 H PHE 14 H PHE 14 -26.357 1.903 -11.125 127 HA PHE 14 HA PHE 14 -28.821 2.742 -12.589 128 1HB PHE 14 2HB PHE 14 -25.957 2.896 -13.563 129 2HB PHE 14 1HB PHE 14 -27.374 3.667 -14.276 130 HD1 PHE 14 HD1 PHE 14 -28.798 5.077 -12.420 131 HD2 PHE 14 HD2 PHE 14 -24.580 4.292 -12.307 132 HE1 PHE 14 HE1 PHE 14 -28.471 7.050 -10.954 133 HE2 PHE 14 HE2 PHE 14 -24.250 6.266 -10.843 134 HZ PHE 14 HZ PHE 14 -26.196 7.645 -10.166 135 H GLY 15 H GLY 15 -26.926 0.054 -11.949 136 1HA GLY 15 2HA GLY 15 -27.289 -2.133 -12.822 137 2HA GLY 15 1HA GLY 15 -28.201 -1.422 -14.153 138 H GLN 16 H GLN 16 -25.979 -3.406 -14.219 139 HA GLN 16 HA GLN 16 -23.625 -2.066 -15.247 140 1HB GLN 16 2HB GLN 16 -24.413 -4.898 -15.925 141 2HB GLN 16 1HB GLN 16 -22.795 -4.228 -15.707 142 1HG GLN 16 2HG GLN 16 -24.018 -3.712 -13.274 143 2HG GLN 16 1HG GLN 16 -24.648 -5.301 -13.709 144 1HE2 GLN 16 2HE2 GLN 16 -21.323 -5.689 -11.963 145 2HE2 GLN 16 1HE2 GLN 16 -22.770 -4.909 -11.541 146 H THR 17 H THR 17 -26.707 -2.851 -16.561 147 HA THR 17 HA THR 17 -25.930 -3.071 -19.334 148 HB THR 17 HB THR 17 -28.596 -2.132 -18.237 149 HG1 THR 17 HG1 THR 17 -27.665 -4.206 -17.433 150 1HG2 THR 17 2HG2 THR 17 -27.754 -3.477 -20.819 151 2HG2 THR 17 1HG2 THR 17 -29.427 -3.199 -20.338 152 3HG2 THR 17 3HG2 THR 17 -28.357 -1.830 -20.638 153 H LYS 18 H LYS 18 -26.760 -0.381 -17.204 154 HA LYS 18 HA LYS 18 -26.694 1.542 -19.433 155 1HB LYS 18 2HB LYS 18 -26.810 2.107 -16.456 156 2HB LYS 18 1HB LYS 18 -27.243 3.207 -17.768 157 1HG LYS 18 2HG LYS 18 -29.005 1.529 -18.465 158 2HG LYS 18 1HG LYS 18 -28.661 0.652 -16.974 159 1HD LYS 18 2HD LYS 18 -29.017 3.030 -15.868 160 2HD LYS 18 1HD LYS 18 -29.942 3.335 -17.340 161 1HE LYS 18 2HE LYS 18 -31.131 1.107 -16.854 162 2HE LYS 18 1HE LYS 18 -30.415 1.211 -15.245 163 1HZ LYS 18 1HZ LYS 18 -32.121 3.293 -16.501 164 2HZ LYS 18 3HZ LYS 18 -32.637 2.184 -15.326 165 3HZ LYS 18 2HZ LYS 18 -31.463 3.349 -14.936 166 H THR 19 H THR 19 -24.574 0.314 -16.938 167 HA THR 19 HA THR 19 -22.608 2.454 -17.203 168 HB THR 19 HB THR 19 -21.971 -0.299 -16.166 169 HG1 THR 19 HG1 THR 19 -23.800 1.538 -15.187 170 1HG2 THR 19 2HG2 THR 19 -21.040 2.518 -15.735 171 2HG2 THR 19 1HG2 THR 19 -20.859 1.350 -14.428 172 3HG2 THR 19 3HG2 THR 19 -20.090 1.054 -15.986 173 H ALA 20 H ALA 20 -23.309 -0.572 -18.782 174 HA ALA 20 HA ALA 20 -20.692 -0.683 -20.109 175 1HB ALA 20 2HB ALA 20 -22.410 -2.641 -19.451 176 2HB ALA 20 1HB ALA 20 -22.986 -2.316 -21.086 177 3HB ALA 20 3HB ALA 20 -21.307 -2.785 -20.819 178 H LYS 21 H LYS 21 -24.019 0.248 -20.880 179 HA LYS 21 HA LYS 21 -23.521 0.667 -23.696 180 1HB LYS 21 2HB LYS 21 -25.759 0.718 -22.003 181 2HB LYS 21 1HB LYS 21 -25.612 2.368 -22.612 182 1HG LYS 21 2HG LYS 21 -25.276 1.246 -24.933 183 2HG LYS 21 1HG LYS 21 -25.965 -0.188 -24.171 184 1HD LYS 21 2HD LYS 21 -27.881 1.341 -23.402 185 2HD LYS 21 1HD LYS 21 -27.254 2.516 -24.557 186 1HE LYS 21 2HE LYS 21 -29.035 1.119 -25.563 187 2HE LYS 21 1HE LYS 21 -27.489 0.881 -26.376 188 1HZ LYS 21 1HZ LYS 21 -28.177 -0.858 -24.118 189 2HZ LYS 21 3HZ LYS 21 -28.920 -1.144 -25.617 190 3HZ LYS 21 2HZ LYS 21 -27.227 -1.187 -25.486 191 H ASP 22 H ASP 22 -23.363 2.715 -20.818 192 HA ASP 22 HA ASP 22 -22.842 5.157 -22.295 193 1HB ASP 22 2HB ASP 22 -23.235 4.395 -19.553 194 2HB ASP 22 1HB ASP 22 -21.755 5.346 -19.675 195 H LEU 23 H LEU 23 -20.833 2.744 -20.649 196 HA LEU 23 HA LEU 23 -18.366 4.157 -21.403 197 1HB LEU 23 2HB LEU 23 -18.957 1.588 -19.927 198 2HB LEU 23 1HB LEU 23 -17.314 2.039 -20.387 199 HG LEU 23 HG LEU 23 -18.685 4.288 -19.181 200 1HD1 LEU 23 3HD1 LEU 23 -18.780 1.642 -17.769 201 2HD1 LEU 23 2HD1 LEU 23 -18.522 3.116 -16.833 202 3HD1 LEU 23 1HD1 LEU 23 -19.982 2.933 -17.804 203 1HD2 LEU 23 2HD2 LEU 23 -16.115 3.064 -19.298 204 2HD2 LEU 23 1HD2 LEU 23 -16.529 4.641 -18.628 205 3HD2 LEU 23 3HD2 LEU 23 -16.548 3.213 -17.595 206 H GLY 24 H GLY 24 -20.507 2.101 -22.953 207 1HA GLY 24 2HA GLY 24 -20.369 0.908 -24.964 208 2HA GLY 24 1HA GLY 24 -18.890 1.816 -25.278 209 H VAL 25 H VAL 25 -19.227 -0.214 -22.431 210 HA VAL 25 HA VAL 25 -17.140 -2.001 -23.604 211 HB VAL 25 HB VAL 25 -16.887 -2.636 -21.080 212 1HG1 VAL 25 3HG1 VAL 25 -16.047 -0.037 -22.368 213 2HG1 VAL 25 2HG1 VAL 25 -15.474 -0.503 -20.766 214 3HG1 VAL 25 1HG1 VAL 25 -15.100 -1.510 -22.165 215 1HG2 VAL 25 2HG2 VAL 25 -19.037 -1.275 -20.595 216 2HG2 VAL 25 1HG2 VAL 25 -17.673 -1.064 -19.499 217 3HG2 VAL 25 3HG2 VAL 25 -18.005 0.146 -20.738 218 OH TYR 26 OH TYR 26 -14.130 -5.073 -26.114 219 H TYR 26 H TYR 26 -17.364 -4.233 -22.078 220 HA TYR 26 HA TYR 26 -20.046 -5.243 -22.878 221 1HB TYR 26 2HB TYR 26 -18.010 -7.137 -21.838 222 2HB TYR 26 1HB TYR 26 -19.074 -7.284 -23.236 223 HD1 TYR 26 HD1 TYR 26 -18.569 -5.482 -25.165 224 HD2 TYR 26 HD2 TYR 26 -15.738 -6.858 -22.243 225 HE1 TYR 26 HE1 TYR 26 -16.704 -4.805 -26.652 226 HE2 TYR 26 HE2 TYR 26 -13.874 -6.182 -23.729 227 HH TYR 26 HH TYR 26 -14.473 -5.007 -27.008 228 H GLN 27 H GLN 27 -21.186 -6.700 -21.383 229 HA GLN 27 HA GLN 27 -21.280 -5.628 -18.697 230 1HB GLN 27 2HB GLN 27 -22.624 -7.959 -20.075 231 2HB GLN 27 1HB GLN 27 -22.862 -7.640 -18.357 232 1HG GLN 27 2HG GLN 27 -23.683 -5.390 -18.854 233 2HG GLN 27 1HG GLN 27 -23.372 -5.633 -20.574 234 1HE2 GLN 27 2HE2 GLN 27 -26.356 -7.981 -18.978 235 2HE2 GLN 27 1HE2 GLN 27 -24.926 -7.751 -18.092 236 H SER 28 H SER 28 -19.747 -8.389 -20.221 237 HA SER 28 HA SER 28 -19.126 -9.777 -17.750 238 1HB SER 28 2HB SER 28 -18.466 -10.060 -20.618 239 2HB SER 28 1HB SER 28 -17.226 -10.643 -19.510 240 HG SER 28 HG SER 28 -19.802 -11.560 -19.982 241 H ALA 29 H ALA 29 -17.866 -7.009 -19.318 242 HA ALA 29 HA ALA 29 -15.189 -7.253 -18.102 243 1HB ALA 29 1HB ALA 29 -15.857 -6.086 -20.380 244 2HB ALA 29 3HB ALA 29 -16.238 -4.719 -19.333 245 3HB ALA 29 2HB ALA 29 -14.602 -5.377 -19.366 246 H ILE 30 H ILE 30 -18.238 -5.586 -17.624 247 HA ILE 30 HA ILE 30 -17.262 -3.891 -15.470 248 HB ILE 30 HB ILE 30 -20.047 -4.686 -16.372 249 1HG1 ILE 30 2HG1 ILE 30 -18.480 -2.094 -16.593 250 2HG1 ILE 30 1HG1 ILE 30 -18.761 -3.232 -17.912 251 1HG2 ILE 30 1HG2 ILE 30 -19.185 -2.685 -14.264 252 2HG2 ILE 30 3HG2 ILE 30 -20.829 -2.868 -14.877 253 3HG2 ILE 30 2HG2 ILE 30 -20.074 -4.181 -13.975 254 1HD1 ILE 30 3HD1 ILE 30 -21.172 -2.320 -16.434 255 2HD1 ILE 30 2HD1 ILE 30 -20.374 -1.113 -17.444 256 3HD1 ILE 30 1HD1 ILE 30 -20.954 -2.617 -18.159 257 H ASN 31 H ASN 31 -18.739 -7.066 -15.774 258 HA ASN 31 HA ASN 31 -19.259 -7.422 -12.946 259 1HB ASN 31 2HB ASN 31 -19.962 -8.781 -15.233 260 2HB ASN 31 1HB ASN 31 -18.746 -9.851 -14.536 261 1HD2 ASN 31 2HD2 ASN 31 -21.374 -11.150 -12.547 262 2HD2 ASN 31 1HD2 ASN 31 -20.265 -11.459 -13.795 263 H LYS 32 H LYS 32 -16.619 -8.467 -15.130 264 HA LYS 32 HA LYS 32 -15.122 -9.781 -13.052 265 1HB LYS 32 2HB LYS 32 -13.343 -9.925 -14.630 266 2HB LYS 32 1HB LYS 32 -14.825 -10.048 -15.581 267 1HG LYS 32 2HG LYS 32 -14.692 -7.586 -16.006 268 2HG LYS 32 1HG LYS 32 -13.132 -7.569 -15.184 269 1HD LYS 32 2HD LYS 32 -13.503 -9.581 -17.353 270 2HD LYS 32 1HD LYS 32 -13.330 -7.895 -17.840 271 1HE LYS 32 2HE LYS 32 -11.107 -8.078 -17.557 272 2HE LYS 32 1HE LYS 32 -11.380 -8.354 -15.837 273 1HZ LYS 32 1HZ LYS 32 -11.944 -10.678 -17.387 274 2HZ LYS 32 3HZ LYS 32 -10.351 -10.147 -17.631 275 3HZ LYS 32 2HZ LYS 32 -10.898 -10.494 -16.061 276 H ALA 33 H ALA 33 -15.456 -6.460 -14.047 277 HA ALA 33 HA ALA 33 -13.050 -5.475 -12.786 278 1HB ALA 33 3HB ALA 33 -14.578 -4.295 -14.524 279 2HB ALA 33 2HB ALA 33 -15.569 -3.856 -13.133 280 3HB ALA 33 1HB ALA 33 -13.892 -3.314 -13.228 281 H ILE 34 H ILE 34 -16.433 -5.778 -11.755 282 HA ILE 34 HA ILE 34 -15.942 -4.663 -9.120 283 HB ILE 34 HB ILE 34 -18.215 -6.186 -10.399 284 1HG1 ILE 34 2HG1 ILE 34 -19.326 -3.982 -9.447 285 2HG1 ILE 34 1HG1 ILE 34 -17.661 -3.402 -9.422 286 1HG2 ILE 34 2HG2 ILE 34 -17.714 -5.678 -7.481 287 2HG2 ILE 34 1HG2 ILE 34 -19.365 -5.596 -8.098 288 3HG2 ILE 34 3HG2 ILE 34 -18.435 -7.087 -8.257 289 1HD1 ILE 34 3HD1 ILE 34 -17.425 -3.985 -11.812 290 2HD1 ILE 34 2HD1 ILE 34 -19.098 -4.543 -11.836 291 3HD1 ILE 34 1HD1 ILE 34 -18.741 -2.838 -11.561 292 H HIS 35 H HIS 35 -15.675 -7.804 -10.603 293 HA HIS 35 HA HIS 35 -15.658 -9.356 -8.165 294 1HB HIS 35 2HB HIS 35 -14.809 -9.816 -11.010 295 2HB HIS 35 1HB HIS 35 -14.322 -10.968 -9.765 296 HD1 HIS 35 HD1 HIS 35 -16.053 -12.497 -11.333 297 HD2 HIS 35 HD2 HIS 35 -17.744 -9.612 -8.844 298 HE1 HIS 35 HE1 HIS 35 -18.493 -13.123 -11.066 299 H ALA 36 H ALA 36 -13.242 -7.564 -9.980 300 HA ALA 36 HA ALA 36 -11.036 -8.638 -8.346 301 1HB ALA 36 2HB ALA 36 -11.242 -6.699 -10.640 302 2HB ALA 36 1HB ALA 36 -9.767 -6.785 -9.678 303 3HB ALA 36 3HB ALA 36 -10.336 -8.209 -10.548 304 H GLY 37 H GLY 37 -13.335 -6.132 -8.143 305 1HA GLY 37 2HA GLY 37 -13.522 -4.264 -6.730 306 2HA GLY 37 1HA GLY 37 -12.534 -5.209 -5.613 307 NH1 ARG 38 NH1 ARG 38 -6.973 -7.530 -9.997 308 NH2 ARG 38 NH2 ARG 38 -8.074 -7.292 -11.956 309 H ARG 38 H ARG 38 -11.269 -4.426 -8.750 310 HA ARG 38 HA ARG 38 -8.912 -3.212 -7.709 311 1HB ARG 38 2HB ARG 38 -10.054 -3.771 -10.316 312 2HB ARG 38 1HB ARG 38 -9.282 -2.185 -10.301 313 1HG ARG 38 2HG ARG 38 -7.187 -3.071 -9.701 314 2HG ARG 38 1HG ARG 38 -7.890 -4.583 -9.122 315 1HD ARG 38 2HD ARG 38 -8.703 -4.778 -11.641 316 2HD ARG 38 1HD ARG 38 -7.337 -3.701 -11.930 317 HE ARG 38 HE ARG 38 -5.850 -5.445 -11.167 318 1HH1 ARG 38 2HH1 ARG 38 -6.371 -7.157 -9.291 319 2HH1 ARG 38 1HH1 ARG 38 -7.333 -8.458 -9.906 320 1HH2 ARG 38 1HH2 ARG 38 -8.314 -6.737 -12.753 321 2HH2 ARG 38 2HH2 ARG 38 -8.437 -8.220 -11.867 322 H LYS 39 H LYS 39 -8.288 -0.863 -8.453 323 HA LYS 39 HA LYS 39 -10.284 0.937 -7.256 324 1HB LYS 39 2HB LYS 39 -7.403 0.985 -7.789 325 2HB LYS 39 1HB LYS 39 -8.192 2.514 -8.180 326 1HG LYS 39 2HG LYS 39 -7.439 2.431 -5.811 327 2HG LYS 39 1HG LYS 39 -9.188 2.606 -5.947 328 1HD LYS 39 2HD LYS 39 -8.424 -0.194 -5.954 329 2HD LYS 39 1HD LYS 39 -7.816 0.625 -4.514 330 1HE LYS 39 2HE LYS 39 -9.936 1.146 -3.746 331 2HE LYS 39 1HE LYS 39 -10.633 1.165 -5.366 332 1HZ LYS 39 3HZ LYS 39 -9.599 -1.402 -4.668 333 2HZ LYS 39 2HZ LYS 39 -10.779 -0.883 -3.563 334 3HZ LYS 39 1HZ LYS 39 -11.145 -0.978 -5.220 335 H ILE 40 H ILE 40 -11.833 0.563 -9.030 336 HA ILE 40 HA ILE 40 -11.153 2.136 -11.479 337 HB ILE 40 HB ILE 40 -13.327 0.060 -11.039 338 1HG1 ILE 40 2HG1 ILE 40 -10.991 -0.114 -12.942 339 2HG1 ILE 40 1HG1 ILE 40 -10.826 -0.628 -11.262 340 1HG2 ILE 40 3HG2 ILE 40 -12.614 1.866 -13.346 341 2HG2 ILE 40 2HG2 ILE 40 -13.414 0.318 -13.625 342 3HG2 ILE 40 1HG2 ILE 40 -14.201 1.554 -12.641 343 1HD1 ILE 40 1HD1 ILE 40 -13.205 -1.624 -12.755 344 2HD1 ILE 40 3HD1 ILE 40 -11.640 -2.312 -13.187 345 3HD1 ILE 40 2HD1 ILE 40 -12.227 -2.432 -11.529 346 H PHE 41 H PHE 41 -11.679 4.198 -10.811 347 HA PHE 41 HA PHE 41 -14.236 4.675 -9.426 348 1HB PHE 41 2HB PHE 41 -12.333 6.797 -10.411 349 2HB PHE 41 1HB PHE 41 -13.430 6.856 -9.030 350 HD1 PHE 41 HD2 PHE 41 -12.860 4.097 -7.903 351 HD2 PHE 41 HD1 PHE 41 -10.235 7.193 -9.315 352 HE1 PHE 41 HE2 PHE 41 -11.062 3.253 -6.420 353 HE2 PHE 41 HE1 PHE 41 -8.441 6.348 -7.831 354 HZ PHE 41 HZ PHE 41 -8.853 4.379 -6.384 355 H LEU 42 H LEU 42 -15.711 6.381 -10.296 356 HA LEU 42 HA LEU 42 -15.743 6.365 -13.290 357 1HB LEU 42 2HB LEU 42 -17.663 5.301 -11.447 358 2HB LEU 42 1HB LEU 42 -18.388 6.677 -12.276 359 HG LEU 42 HG LEU 42 -17.784 5.706 -14.451 360 1HD1 LEU 42 3HD1 LEU 42 -15.731 4.518 -13.528 361 2HD1 LEU 42 2HD1 LEU 42 -16.828 3.289 -12.900 362 3HD1 LEU 42 1HD1 LEU 42 -16.715 3.563 -14.638 363 1HD2 LEU 42 2HD2 LEU 42 -19.648 4.641 -12.571 364 2HD2 LEU 42 1HD2 LEU 42 -19.763 4.637 -14.330 365 3HD2 LEU 42 3HD2 LEU 42 -18.990 3.290 -13.494 366 H THR 43 H THR 43 -15.694 8.392 -14.118 367 HA THR 43 HA THR 43 -16.630 10.633 -12.368 368 HB THR 43 HB THR 43 -14.413 10.513 -14.424 369 HG1 THR 43 HG1 THR 43 -13.616 10.038 -12.484 370 1HG2 THR 43 3HG2 THR 43 -15.835 12.562 -14.717 371 2HG2 THR 43 2HG2 THR 43 -15.492 12.980 -13.039 372 3HG2 THR 43 1HG2 THR 43 -14.182 12.916 -14.216 373 H ILE 44 H ILE 44 -18.727 10.900 -13.118 374 HA ILE 44 HA ILE 44 -19.142 11.019 -16.058 375 HB ILE 44 HB ILE 44 -21.360 11.271 -14.049 376 1HG1 ILE 44 2HG1 ILE 44 -21.309 8.595 -14.504 377 2HG1 ILE 44 1HG1 ILE 44 -19.578 8.934 -14.487 378 1HG2 ILE 44 1HG2 ILE 44 -21.394 11.325 -16.720 379 2HG2 ILE 44 3HG2 ILE 44 -21.407 9.574 -16.510 380 3HG2 ILE 44 2HG2 ILE 44 -22.688 10.557 -15.802 381 1HD1 ILE 44 1HD1 ILE 44 -21.134 10.243 -12.337 382 2HD1 ILE 44 3HD1 ILE 44 -21.050 8.484 -12.239 383 3HD1 ILE 44 2HD1 ILE 44 -19.566 9.438 -12.263 384 H ASN 45 H ASN 45 -18.963 13.012 -16.946 385 HA ASN 45 HA ASN 45 -19.112 15.428 -15.342 386 1HB ASN 45 2HB ASN 45 -18.753 14.858 -18.280 387 2HB ASN 45 1HB ASN 45 -18.988 16.506 -17.696 388 1HD2 ASN 45 2HD2 ASN 45 -15.530 14.520 -16.692 389 2HD2 ASN 45 1HD2 ASN 45 -16.898 13.624 -17.151 390 H ALA 46 H ALA 46 -20.703 17.022 -15.426 391 HA ALA 46 HA ALA 46 -23.373 16.399 -15.353 392 1HB ALA 46 2HB ALA 46 -21.848 18.868 -15.862 393 2HB ALA 46 1HB ALA 46 -23.507 18.905 -16.457 394 3HB ALA 46 3HB ALA 46 -23.188 18.581 -14.753 395 H ASP 47 H ASP 47 -21.459 16.661 -18.265 396 HA ASP 47 HA ASP 47 -23.812 16.848 -20.005 397 1HB ASP 47 2HB ASP 47 -20.883 16.948 -20.323 398 2HB ASP 47 1HB ASP 47 -21.725 16.129 -21.639 399 H GLY 48 H GLY 48 -23.727 14.576 -18.185 400 1HA GLY 48 2HA GLY 48 -23.930 12.235 -18.200 401 2HA GLY 48 1HA GLY 48 -24.635 12.494 -19.797 402 H SER 49 H SER 49 -21.341 13.436 -19.084 403 HA SER 49 HA SER 49 -20.419 11.527 -21.154 404 1HB SER 49 2HB SER 49 -19.556 14.098 -20.179 405 2HB SER 49 1HB SER 49 -18.227 12.950 -20.058 406 HG SER 49 HG SER 49 -19.207 12.403 -22.335 407 H VAL 50 H VAL 50 -19.357 9.639 -20.639 408 HA VAL 50 HA VAL 50 -18.948 9.076 -17.768 409 HB VAL 50 HB VAL 50 -18.410 7.195 -20.075 410 1HG1 VAL 50 2HG1 VAL 50 -18.624 7.042 -17.116 411 2HG1 VAL 50 1HG1 VAL 50 -19.367 5.720 -18.017 412 3HG1 VAL 50 3HG1 VAL 50 -17.653 6.075 -18.227 413 1HG2 VAL 50 3HG2 VAL 50 -20.858 8.401 -19.592 414 2HG2 VAL 50 2HG2 VAL 50 -20.631 6.844 -20.390 415 3HG2 VAL 50 1HG2 VAL 50 -20.968 6.908 -18.660 416 OH TYR 51 OH TYR 51 -9.211 11.576 -18.835 417 H TYR 51 H TYR 51 -16.952 8.835 -16.822 418 HA TYR 51 HA TYR 51 -14.531 8.821 -18.535 419 1HB TYR 51 2HB TYR 51 -15.258 11.229 -17.860 420 2HB TYR 51 1HB TYR 51 -14.714 10.775 -16.245 421 HD1 TYR 51 HD2 TYR 51 -12.330 9.580 -16.178 422 HD2 TYR 51 HD1 TYR 51 -13.706 12.159 -19.326 423 HE1 TYR 51 HE2 TYR 51 -9.983 10.015 -16.846 424 HE2 TYR 51 HE1 TYR 51 -11.357 12.595 -19.994 425 HH TYR 51 HH TYR 51 -8.767 12.005 -18.099 426 H ALA 52 H ALA 52 -14.630 6.590 -17.576 427 HA ALA 52 HA ALA 52 -14.211 6.331 -14.696 428 1HB ALA 52 1HB ALA 52 -13.929 4.308 -16.941 429 2HB ALA 52 3HB ALA 52 -13.882 3.927 -15.220 430 3HB ALA 52 2HB ALA 52 -15.361 4.554 -15.943 431 H GLU 53 H GLU 53 -12.238 5.759 -13.681 432 HA GLU 53 HA GLU 53 -9.794 5.789 -15.382 433 1HB GLU 53 2HB GLU 53 -10.639 7.866 -13.505 434 2HB GLU 53 1HB GLU 53 -9.050 7.213 -13.111 435 1HG GLU 53 2HG GLU 53 -8.447 7.525 -15.568 436 2HG GLU 53 1HG GLU 53 -9.942 8.450 -15.725 437 H GLU 54 H GLU 54 -7.904 4.985 -14.204 438 HA GLU 54 HA GLU 54 -8.676 3.118 -11.996 439 1HB GLU 54 2HB GLU 54 -8.003 1.956 -14.092 440 2HB GLU 54 1HB GLU 54 -6.459 2.809 -14.054 441 1HG GLU 54 2HG GLU 54 -5.685 1.613 -12.222 442 2HG GLU 54 1HG GLU 54 -7.311 1.274 -11.627 443 H VAL 55 H VAL 55 -7.379 3.219 -10.128 444 HA VAL 55 HA VAL 55 -4.851 4.702 -10.209 445 HB VAL 55 HB VAL 55 -6.547 5.856 -8.124 446 1HG1 VAL 55 2HG1 VAL 55 -4.262 6.492 -9.574 447 2HG1 VAL 55 1HG1 VAL 55 -5.473 7.609 -10.203 448 3HG1 VAL 55 3HG1 VAL 55 -5.120 7.573 -8.476 449 1HG2 VAL 55 1HG2 VAL 55 -8.277 5.540 -9.898 450 2HG2 VAL 55 3HG2 VAL 55 -7.924 7.242 -9.602 451 3HG2 VAL 55 2HG2 VAL 55 -7.254 6.437 -11.021 452 H LYS 56 H LYS 56 -3.594 3.363 -9.049 453 HA LYS 56 HA LYS 56 -4.413 2.634 -6.317 454 1HB LYS 56 2HB LYS 56 -5.336 0.758 -7.452 455 2HB LYS 56 1HB LYS 56 -3.950 0.633 -8.531 456 1HG LYS 56 2HG LYS 56 -3.092 -0.886 -7.090 457 2HG LYS 56 1HG LYS 56 -2.871 0.431 -5.940 458 1HD LYS 56 2HD LYS 56 -4.754 -0.112 -4.736 459 2HD LYS 56 1HD LYS 56 -5.597 -0.753 -6.145 460 1HE LYS 56 2HE LYS 56 -3.159 -2.174 -5.122 461 2HE LYS 56 1HE LYS 56 -4.702 -2.402 -4.299 462 1HZ LYS 56 1HZ LYS 56 -5.095 -2.565 -7.080 463 2HZ LYS 56 3HZ LYS 56 -3.828 -3.606 -6.649 464 3HZ LYS 56 2HZ LYS 56 -5.344 -3.762 -5.900 465 HA PRO 57 HA PRO 57 -0.061 3.462 -6.051 466 1HB PRO 57 2HB PRO 57 0.150 3.036 -3.343 467 2HB PRO 57 1HB PRO 57 -0.500 4.521 -4.059 468 1HG PRO 57 2HG PRO 57 -1.957 2.283 -2.730 469 2HG PRO 57 1HG PRO 57 -2.413 3.988 -2.876 470 1HD PRO 57 2HD PRO 57 -3.450 1.866 -4.427 471 2HD PRO 57 1HD PRO 57 -3.619 3.598 -4.788 472 H PHE 58 H PHE 58 1.779 2.199 -6.116 473 HA PHE 58 HA PHE 58 1.655 -0.576 -5.045 474 1HB PHE 58 2HB PHE 58 1.178 -1.043 -7.299 475 2HB PHE 58 1HB PHE 58 2.177 0.282 -7.887 476 HD1 PHE 58 HD1 PHE 58 4.732 0.099 -7.551 477 HD2 PHE 58 HD2 PHE 58 2.048 -3.231 -7.148 478 HE1 PHE 58 HE1 PHE 58 6.630 -1.468 -7.849 479 HE2 PHE 58 HE2 PHE 58 3.947 -4.797 -7.444 480 HZ PHE 58 HZ PHE 58 6.237 -3.916 -7.793 481 HA PRO 59 HA PRO 59 2.887 -2.194 -5.084 482 1HB PRO 59 2HB PRO 59 4.418 -3.412 -3.158 483 2HB PRO 59 1HB PRO 59 4.874 -3.350 -4.868 484 1HG PRO 59 2HG PRO 59 6.012 -1.840 -2.574 485 2HG PRO 59 1HG PRO 59 6.752 -2.234 -4.134 486 1HD PRO 59 2HD PRO 59 5.623 0.273 -3.368 487 2HD PRO 59 1HD PRO 59 6.184 -0.192 -4.989 488 H SER 60 H SER 60 3.302 0.204 -2.725 489 HA SER 60 HA SER 60 2.266 -0.912 -0.361 490 1HB SER 60 2HB SER 60 1.477 1.832 -1.344 491 2HB SER 60 1HB SER 60 1.737 1.300 0.315 492 HG SER 60 HG SER 60 3.478 2.526 -0.891 493 H ASN 61 H ASN 61 0.099 -0.957 0.498 494 HA ASN 61 HA ASN 61 -2.127 -0.664 -1.436 495 1HB ASN 61 2HB ASN 61 -2.968 -2.911 -1.004 496 2HB ASN 61 1HB ASN 61 -1.312 -3.028 -1.604 497 1HD2 ASN 61 2HD2 ASN 61 -1.845 -5.050 1.607 498 2HD2 ASN 61 1HD2 ASN 61 -2.801 -4.932 0.209 499 H LYS 62 H LYS 62 -4.013 -2.012 0.304 500 HA LYS 62 HA LYS 62 -4.028 -0.046 2.555 501 1HB LYS 62 2HB LYS 62 -5.974 -0.551 0.658 502 2HB LYS 62 1HB LYS 62 -6.522 -1.508 2.035 503 1HG LYS 62 2HG LYS 62 -7.037 0.332 3.252 504 2HG LYS 62 1HG LYS 62 -5.551 1.160 2.784 505 1HD LYS 62 2HD LYS 62 -6.528 1.774 0.629 506 2HD LYS 62 1HD LYS 62 -7.995 0.871 1.011 507 1HE LYS 62 2HE LYS 62 -8.587 3.072 1.576 508 2HE LYS 62 1HE LYS 62 -8.095 2.392 3.127 509 1HZ LYS 62 3HZ LYS 62 -6.205 3.822 1.355 510 2HZ LYS 62 2HZ LYS 62 -7.134 4.626 2.528 511 3HZ LYS 62 1HZ LYS 62 -6.015 3.436 2.994 512 H LYS 63 H LYS 63 -5.488 -1.051 4.455 513 HA LYS 63 HA LYS 63 -4.027 -3.437 5.332 514 1HB LYS 63 2HB LYS 63 -6.076 -1.624 6.607 515 2HB LYS 63 1HB LYS 63 -5.577 -3.128 7.381 516 1HG LYS 63 2HG LYS 63 -3.359 -2.402 7.653 517 2HG LYS 63 1HG LYS 63 -3.516 -1.159 6.412 518 1HD LYS 63 2HD LYS 63 -4.620 0.310 7.821 519 2HD LYS 63 1HD LYS 63 -5.289 -0.985 8.814 520 1HE LYS 63 2HE LYS 63 -2.323 -0.692 8.801 521 2HE LYS 63 1HE LYS 63 -3.247 0.542 9.657 522 1HZ LYS 63 2HZ LYS 63 -4.471 -1.599 10.559 523 2HZ LYS 63 1HZ LYS 63 -2.958 -2.304 10.239 524 3HZ LYS 63 3HZ LYS 63 -3.071 -0.986 11.301 525 H THR 64 H THR 64 -7.537 -2.743 5.449 526 HA THR 64 HA THR 64 -8.075 -5.322 4.103 527 HB THR 64 HB THR 64 -9.853 -5.474 6.190 528 HG1 THR 64 HG1 THR 64 -8.109 -5.280 7.952 529 1HG2 THR 64 2HG2 THR 64 -8.195 -7.167 5.108 530 2HG2 THR 64 1HG2 THR 64 -7.109 -6.688 6.413 531 3HG2 THR 64 3HG2 THR 64 -8.674 -7.412 6.788 532 H THR 65 H THR 65 -8.517 -2.673 3.204 533 HA THR 65 HA THR 65 -11.436 -2.239 3.588 534 HB THR 65 HB THR 65 -9.999 -0.385 1.817 535 HG1 THR 65 HG1 THR 65 -8.973 0.552 3.758 536 1HG2 THR 65 2HG2 THR 65 -12.153 -0.429 3.725 537 2HG2 THR 65 1HG2 THR 65 -11.021 0.859 4.144 538 3HG2 THR 65 3HG2 THR 65 -11.753 0.816 2.540 539 H ALA 66 HN ALA 66 -12.853 -2.204 1.768 540 HA ALA 66 HA ALA 66 -11.971 -2.600 -0.936 541 1HB ALA 66 3HB ALA 66 -11.866 -4.927 0.647 542 2HB ALA 66 2HB ALA 66 -13.331 -5.084 -0.322 543 3HB ALA 66 1HB ALA 66 -11.774 -4.839 -1.111 544 1H MET 1 1H MET 1 12.691 19.323 -7.984 545 2H MET 1 3H MET 1 12.068 20.564 -8.958 546 3H MET 1 2H MET 1 11.018 19.614 -8.020 547 HA MET 1 HA MET 1 10.807 18.823 -10.215 548 1HB MET 1 2HB MET 1 13.479 19.714 -10.410 549 2HB MET 1 1HB MET 1 13.528 17.976 -10.707 550 1HG MET 1 2HG MET 1 13.138 19.097 -12.823 551 2HG MET 1 1HG MET 1 11.654 18.268 -12.352 552 1HE MET 1 1HE MET 1 12.671 20.462 -14.201 553 2HE MET 1 3HE MET 1 11.013 21.011 -14.486 554 3HE MET 1 2HE MET 1 12.222 22.131 -13.865 555 H GLU 2 H GLU 2 9.804 17.119 -9.092 556 HA GLU 2 HA GLU 2 11.279 15.161 -7.561 557 1HB GLU 2 2HB GLU 2 8.615 15.801 -7.854 558 2HB GLU 2 1HB GLU 2 8.726 14.265 -8.715 559 1HG GLU 2 2HG GLU 2 8.868 13.140 -6.772 560 2HG GLU 2 1HG GLU 2 10.254 14.113 -6.277 561 H GLN 3 H GLN 3 12.315 13.348 -8.276 562 HA GLN 3 HA GLN 3 12.913 12.942 -11.023 563 1HB GLN 3 2HB GLN 3 13.575 11.715 -8.526 564 2HB GLN 3 1HB GLN 3 13.093 10.443 -9.648 565 1HG GLN 3 2HG GLN 3 14.630 11.734 -11.341 566 2HG GLN 3 1HG GLN 3 15.350 12.413 -9.881 567 1HE2 GLN 3 2HE2 GLN 3 16.155 8.926 -8.750 568 2HE2 GLN 3 1HE2 GLN 3 15.161 10.163 -8.147 569 NH1 ARG 4 NH1 ARG 4 4.471 10.481 -12.035 570 NH2 ARG 4 NH2 ARG 4 3.428 11.799 -10.524 571 H ARG 4 H ARG 4 10.979 12.855 -12.263 572 HA ARG 4 HA ARG 4 9.016 10.738 -11.593 573 1HB ARG 4 2HB ARG 4 9.049 12.996 -13.602 574 2HB ARG 4 1HB ARG 4 7.809 11.740 -13.621 575 1HG ARG 4 2HG ARG 4 8.464 13.389 -11.168 576 2HG ARG 4 1HG ARG 4 7.184 13.811 -12.307 577 1HD ARG 4 2HD ARG 4 6.956 11.027 -11.600 578 2HD ARG 4 1HD ARG 4 7.022 12.003 -10.132 579 HE ARG 4 HE ARG 4 5.201 13.379 -11.626 580 1HH1 ARG 4 2HH1 ARG 4 5.242 10.309 -12.648 581 2HH1 ARG 4 1HH1 ARG 4 3.729 9.814 -11.966 582 1HH2 ARG 4 1HH2 ARG 4 3.399 12.637 -9.979 583 2HH2 ARG 4 2HH2 ARG 4 2.685 11.134 -10.455 584 H ILE 5 H ILE 5 9.440 8.744 -12.377 585 HA ILE 5 HA ILE 5 10.245 8.463 -15.213 586 HB ILE 5 HB ILE 5 11.748 7.152 -12.930 587 1HG1 ILE 5 2HG1 ILE 5 13.599 8.490 -14.409 588 2HG1 ILE 5 1HG1 ILE 5 12.211 9.564 -14.588 589 1HG2 ILE 5 3HG2 ILE 5 11.762 6.803 -15.915 590 2HG2 ILE 5 2HG2 ILE 5 13.240 6.526 -14.993 591 3HG2 ILE 5 1HG2 ILE 5 11.797 5.571 -14.653 592 1HD1 ILE 5 3HD1 ILE 5 12.262 8.786 -11.869 593 2HD1 ILE 5 2HD1 ILE 5 13.922 9.199 -12.296 594 3HD1 ILE 5 1HD1 ILE 5 12.631 10.377 -12.533 595 H THR 6 H THR 6 9.192 6.729 -16.137 596 HA THR 6 HA THR 6 7.193 5.321 -14.596 597 HB THR 6 HB THR 6 8.226 4.476 -17.308 598 HG1 THR 6 HG1 THR 6 6.842 6.753 -16.519 599 1HG2 THR 6 2HG2 THR 6 6.262 3.444 -15.689 600 2HG2 THR 6 1HG2 THR 6 5.345 4.549 -16.711 601 3HG2 THR 6 3HG2 THR 6 6.312 3.267 -17.442 602 H LEU 7 H LEU 7 7.164 3.035 -14.112 603 HA LEU 7 HA LEU 7 9.539 1.975 -13.013 604 1HB LEU 7 2HB LEU 7 7.377 1.116 -12.325 605 2HB LEU 7 1HB LEU 7 7.028 0.564 -13.963 606 HG LEU 7 HG LEU 7 8.981 -0.973 -13.829 607 1HD1 LEU 7 2HD1 LEU 7 9.636 0.651 -11.618 608 2HD1 LEU 7 1HD1 LEU 7 9.247 -0.934 -10.948 609 3HD1 LEU 7 3HD1 LEU 7 10.501 -0.780 -12.179 610 1HD2 LEU 7 3HD2 LEU 7 6.684 -1.117 -11.907 611 2HD2 LEU 7 2HD2 LEU 7 7.029 -2.125 -13.312 612 3HD2 LEU 7 1HD2 LEU 7 7.938 -2.354 -11.818 613 H LYS 8 H LYS 8 8.530 2.121 -16.295 614 HA LYS 8 HA LYS 8 10.220 -0.154 -17.110 615 1HB LYS 8 2HB LYS 8 9.282 0.104 -19.263 616 2HB LYS 8 1HB LYS 8 7.958 0.503 -18.169 617 1HG LYS 8 2HG LYS 8 8.405 2.892 -18.445 618 2HG LYS 8 1HG LYS 8 9.796 2.534 -19.470 619 1HD LYS 8 2HD LYS 8 6.979 1.628 -20.118 620 2HD LYS 8 1HD LYS 8 7.681 3.124 -20.734 621 1HE LYS 8 2HE LYS 8 8.517 1.890 -22.431 622 2HE LYS 8 1HE LYS 8 9.636 1.204 -21.253 623 1HZ LYS 8 3HZ LYS 8 7.357 -0.188 -20.821 624 2HZ LYS 8 2HZ LYS 8 7.341 0.015 -22.508 625 3HZ LYS 8 1HZ LYS 8 8.670 -0.725 -21.750 626 H ASP 9 H ASP 9 10.272 3.378 -17.205 627 HA ASP 9 HA ASP 9 12.694 3.459 -18.843 628 1HB ASP 9 2HB ASP 9 10.888 5.436 -17.555 629 2HB ASP 9 1HB ASP 9 12.564 5.942 -17.772 630 OH TYR 10 OH TYR 10 16.598 2.851 -8.723 631 H TYR 10 H TYR 10 11.941 3.296 -15.448 632 HA TYR 10 HA TYR 10 14.624 4.146 -14.604 633 1HB TYR 10 2HB TYR 10 12.738 4.649 -13.140 634 2HB TYR 10 1HB TYR 10 12.284 2.946 -13.087 635 HD1 TYR 10 HD2 TYR 10 15.840 3.666 -13.141 636 HD2 TYR 10 HD1 TYR 10 12.441 3.138 -10.572 637 HE1 TYR 10 HE2 TYR 10 17.355 3.324 -11.210 638 HE2 TYR 10 HE1 TYR 10 13.957 2.798 -8.638 639 HH TYR 10 HH TYR 10 16.811 1.916 -8.674 640 H ALA 11 H ALA 11 12.795 1.150 -14.985 641 HA ALA 11 HA ALA 11 14.939 -0.511 -13.907 642 1HB ALA 11 1HB ALA 11 12.298 -0.925 -14.179 643 2HB ALA 11 3HB ALA 11 12.843 -1.671 -15.681 644 3HB ALA 11 2HB ALA 11 13.454 -2.255 -14.134 645 H MET 12 H MET 12 14.086 0.792 -17.027 646 HA MET 12 HA MET 12 15.845 -1.111 -18.438 647 1HB MET 12 2HB MET 12 14.084 1.164 -19.352 648 2HB MET 12 1HB MET 12 15.169 0.310 -20.449 649 1HG MET 12 2HG MET 12 13.729 -1.631 -18.914 650 2HG MET 12 1HG MET 12 12.570 -0.485 -19.587 651 1HE MET 12 2HE MET 12 12.881 0.541 -21.666 652 2HE MET 12 1HE MET 12 14.211 0.179 -22.765 653 3HE MET 12 3HE MET 12 12.603 -0.496 -23.063 654 NH1 ARG 13 NH1 ARG 13 19.416 8.133 -20.343 655 NH2 ARG 13 NH2 ARG 13 20.493 7.369 -18.509 656 H ARG 13 H ARG 13 15.784 2.340 -17.599 657 HA ARG 13 HA ARG 13 18.394 2.752 -18.905 658 1HB ARG 13 2HB ARG 13 16.442 4.540 -17.472 659 2HB ARG 13 1HB ARG 13 18.083 5.091 -17.807 660 1HG ARG 13 2HG ARG 13 17.237 3.935 -20.208 661 2HG ARG 13 1HG ARG 13 15.829 4.827 -19.628 662 1HD ARG 13 2HD ARG 13 17.501 6.142 -21.066 663 2HD ARG 13 1HD ARG 13 17.036 6.874 -19.531 664 HE ARG 13 HE ARG 13 19.437 5.215 -19.351 665 1HH1 ARG 13 2HH1 ARG 13 18.756 7.993 -21.082 666 2HH1 ARG 13 1HH1 ARG 13 19.910 9.000 -20.273 667 1HH2 ARG 13 1HH2 ARG 13 20.659 6.643 -17.842 668 2HH2 ARG 13 2HH2 ARG 13 20.987 8.236 -18.436 669 H PHE 14 H PHE 14 17.283 1.756 -15.834 670 HA PHE 14 HA PHE 14 19.988 2.357 -14.713 671 1HB PHE 14 2HB PHE 14 17.411 2.290 -13.119 672 2HB PHE 14 1HB PHE 14 19.009 2.761 -12.542 673 HD1 PHE 14 HD2 PHE 14 16.641 3.633 -15.339 674 HD2 PHE 14 HD1 PHE 14 19.478 5.033 -12.431 675 HE1 PHE 14 HE2 PHE 14 16.233 5.969 -16.063 676 HE2 PHE 14 HE1 PHE 14 19.068 7.369 -13.157 677 HZ PHE 14 HZ PHE 14 17.446 7.836 -14.973 678 H GLY 15 H GLY 15 17.912 -0.035 -15.698 679 1HA GLY 15 2HA GLY 15 18.430 -2.374 -15.559 680 2HA GLY 15 1HA GLY 15 19.423 -2.044 -14.140 681 H GLN 16 H GLN 16 16.951 -3.841 -14.808 682 HA GLN 16 HA GLN 16 14.809 -2.985 -13.109 683 1HB GLN 16 2HB GLN 16 15.687 -5.692 -14.129 684 2HB GLN 16 1HB GLN 16 14.288 -5.510 -13.071 685 1HG GLN 16 2HG GLN 16 13.211 -4.021 -14.660 686 2HG GLN 16 1HG GLN 16 14.645 -4.020 -15.686 687 1HE2 GLN 16 2HE2 GLN 16 12.866 -7.709 -15.473 688 2HE2 GLN 16 1HE2 GLN 16 13.267 -6.885 -14.044 689 H THR 17 H THR 17 17.915 -4.368 -12.439 690 HA THR 17 HA THR 17 17.254 -5.448 -9.831 691 HB THR 17 HB THR 17 19.999 -4.504 -10.654 692 HG1 THR 17 HG1 THR 17 20.130 -6.064 -12.063 693 1HG2 THR 17 1HG2 THR 17 18.814 -6.218 -8.599 694 2HG2 THR 17 3HG2 THR 17 20.130 -7.005 -9.469 695 3HG2 THR 17 2HG2 THR 17 20.409 -5.467 -8.651 696 H LYS 18 H LYS 18 18.157 -2.295 -11.060 697 HA LYS 18 HA LYS 18 18.777 -1.205 -8.423 698 1HB LYS 18 2HB LYS 18 18.189 0.221 -11.036 699 2HB LYS 18 1HB LYS 18 18.880 0.959 -9.590 700 1HG LYS 18 2HG LYS 18 20.697 -0.893 -9.785 701 2HG LYS 18 1HG LYS 18 20.121 -1.068 -11.442 702 1HD LYS 18 2HD LYS 18 20.429 1.457 -11.673 703 2HD LYS 18 1HD LYS 18 21.303 1.394 -10.143 704 1HE LYS 18 2HE LYS 18 23.027 0.061 -11.038 705 2HE LYS 18 1HE LYS 18 22.041 -0.449 -12.410 706 1HZ LYS 18 2HZ LYS 18 22.053 1.942 -13.111 707 2HZ LYS 18 1HZ LYS 18 23.245 2.216 -11.932 708 3HZ LYS 18 3HZ LYS 18 23.553 1.150 -13.215 709 H THR 19 H THR 19 15.988 -1.204 -10.612 710 HA THR 19 HA THR 19 14.404 0.572 -8.961 711 HB THR 19 HB THR 19 13.393 -1.502 -10.931 712 HG1 THR 19 HG1 THR 19 15.050 0.334 -11.481 713 1HG2 THR 19 1HG2 THR 19 12.249 0.955 -9.621 714 2HG2 THR 19 3HG2 THR 19 11.642 0.419 -11.188 715 3HG2 THR 19 2HG2 THR 19 11.531 -0.647 -9.788 716 H ALA 20 H ALA 20 14.952 -2.901 -9.081 717 HA ALA 20 HA ALA 20 12.824 -3.461 -7.134 718 1HB ALA 20 3HB ALA 20 14.239 -4.981 -9.021 719 2HB ALA 20 2HB ALA 20 14.788 -5.580 -7.456 720 3HB ALA 20 1HB ALA 20 13.069 -5.588 -7.849 721 H LYS 21 H LYS 21 16.076 -2.429 -7.057 722 HA LYS 21 HA LYS 21 16.635 -3.577 -4.401 723 1HB LYS 21 2HB LYS 21 18.438 -3.265 -6.129 724 2HB LYS 21 1HB LYS 21 18.228 -1.521 -5.963 725 1HG LYS 21 2HG LYS 21 18.642 -1.833 -3.469 726 2HG LYS 21 1HG LYS 21 19.142 -3.482 -3.846 727 1HD LYS 21 2HD LYS 21 20.746 -2.417 -5.558 728 2HD LYS 21 1HD LYS 21 20.420 -0.893 -4.731 729 1HE LYS 21 2HE LYS 21 21.137 -3.254 -3.049 730 2HE LYS 21 1HE LYS 21 22.428 -2.484 -3.972 731 1HZ LYS 21 3HZ LYS 21 21.067 -0.392 -2.904 732 2HZ LYS 21 2HZ LYS 21 21.027 -1.542 -1.655 733 3HZ LYS 21 1HZ LYS 21 22.514 -1.036 -2.301 734 H ASP 22 H ASP 22 15.652 -0.527 -5.849 735 HA ASP 22 HA ASP 22 15.884 0.953 -3.330 736 1HB ASP 22 2HB ASP 22 15.722 1.665 -6.018 737 2HB ASP 22 1HB ASP 22 14.153 2.137 -5.367 738 H LEU 23 H LEU 23 13.382 -0.682 -5.192 739 HA LEU 23 HA LEU 23 11.259 0.204 -3.353 740 1HB LEU 23 2HB LEU 23 11.372 -1.469 -5.849 741 2HB LEU 23 1HB LEU 23 9.958 -1.565 -4.799 742 HG LEU 23 HG LEU 23 11.034 1.108 -5.681 743 1HD1 LEU 23 1HD1 LEU 23 9.695 -0.940 -7.311 744 2HD1 LEU 23 3HD1 LEU 23 8.869 0.618 -7.316 745 3HD1 LEU 23 2HD1 LEU 23 10.557 0.513 -7.818 746 1HD2 LEU 23 1HD2 LEU 23 9.107 0.419 -3.886 747 2HD2 LEU 23 3HD2 LEU 23 9.079 1.920 -4.812 748 3HD2 LEU 23 2HD2 LEU 23 8.143 0.529 -5.358 749 H GLY 24 H GLY 24 13.395 -2.512 -3.802 750 1HA GLY 24 2HA GLY 24 13.854 -4.171 -2.141 751 2HA GLY 24 1HA GLY 24 12.386 -3.684 -1.288 752 H VAL 25 H VAL 25 11.006 -3.798 -4.044 753 HA VAL 25 HA VAL 25 9.794 -6.347 -3.757 754 HB VAL 25 HB VAL 25 9.164 -5.909 -6.262 755 1HG1 VAL 25 3HG1 VAL 25 8.228 -4.908 -3.761 756 2HG1 VAL 25 2HG1 VAL 25 8.087 -3.604 -4.939 757 3HG1 VAL 25 1HG1 VAL 25 7.304 -5.156 -5.243 758 1HG2 VAL 25 1HG2 VAL 25 11.175 -3.977 -5.903 759 2HG2 VAL 25 3HG2 VAL 25 10.062 -4.095 -7.266 760 3HG2 VAL 25 2HG2 VAL 25 9.662 -3.070 -5.889 761 OH TYR 26 OH TYR 26 7.518 -10.747 -2.059 762 H TYR 26 H TYR 26 9.844 -7.967 -5.742 763 HA TYR 26 HA TYR 26 12.636 -8.874 -5.949 764 1HB TYR 26 2HB TYR 26 10.451 -10.267 -7.426 765 2HB TYR 26 1HB TYR 26 11.773 -10.944 -6.476 766 HD1 TYR 26 HD1 TYR 26 11.621 -9.926 -3.868 767 HD2 TYR 26 HD2 TYR 26 8.360 -10.756 -6.539 768 HE1 TYR 26 HE1 TYR 26 10.096 -10.176 -1.928 769 HE2 TYR 26 HE2 TYR 26 6.835 -11.005 -4.598 770 HH TYR 26 HH TYR 26 7.688 -10.024 -1.451 771 H GLN 27 H GLN 27 13.733 -9.181 -7.970 772 HA GLN 27 HA GLN 27 13.261 -7.137 -9.930 773 1HB GLN 27 2HB GLN 27 14.931 -9.665 -10.043 774 2HB GLN 27 1HB GLN 27 14.949 -8.418 -11.290 775 1HG GLN 27 2HG GLN 27 15.778 -6.770 -9.749 776 2HG GLN 27 1HG GLN 27 15.515 -7.841 -8.372 777 1HE2 GLN 27 2HE2 GLN 27 18.616 -9.471 -8.746 778 2HE2 GLN 27 1HE2 GLN 27 17.213 -9.258 -7.815 779 H SER 28 H SER 28 12.192 -10.455 -9.603 780 HA SER 28 HA SER 28 11.246 -10.697 -12.347 781 1HB SER 28 2HB SER 28 11.775 -12.535 -10.464 782 2HB SER 28 1HB SER 28 10.050 -12.343 -10.165 783 HG SER 28 HG SER 28 10.052 -12.495 -12.656 784 H ALA 29 H ALA 29 10.075 -9.225 -9.467 785 HA ALA 29 HA ALA 29 7.245 -9.339 -10.224 786 1HB ALA 29 3HB ALA 29 8.718 -7.687 -8.144 787 2HB ALA 29 2HB ALA 29 6.965 -7.715 -8.339 788 3HB ALA 29 1HB ALA 29 7.822 -9.178 -7.851 789 H ILE 30 H ILE 30 9.980 -7.185 -10.562 790 HA ILE 30 HA ILE 30 8.428 -4.956 -11.614 791 HB ILE 30 HB ILE 30 11.362 -5.635 -11.423 792 1HG1 ILE 30 2HG1 ILE 30 10.407 -3.012 -10.557 793 2HG1 ILE 30 1HG1 ILE 30 9.539 -4.333 -9.772 794 1HG2 ILE 30 1HG2 ILE 30 10.963 -4.576 -13.644 795 2HG2 ILE 30 3HG2 ILE 30 10.199 -3.213 -12.826 796 3HG2 ILE 30 2HG2 ILE 30 11.911 -3.552 -12.566 797 1HD1 ILE 30 3HD1 ILE 30 12.558 -4.083 -9.914 798 2HD1 ILE 30 2HD1 ILE 30 11.575 -3.680 -8.506 799 3HD1 ILE 30 1HD1 ILE 30 11.658 -5.348 -9.076 800 H ASN 31 H ASN 31 10.035 -7.806 -12.869 801 HA ASN 31 HA ASN 31 10.022 -7.009 -15.647 802 1HB ASN 31 2HB ASN 31 11.284 -8.980 -14.433 803 2HB ASN 31 1HB ASN 31 9.810 -9.880 -14.790 804 1HD2 ASN 31 2HD2 ASN 31 11.661 -10.535 -17.818 805 2HD2 ASN 31 1HD2 ASN 31 11.416 -11.132 -16.250 806 H LYS 32 H LYS 32 7.782 -8.883 -13.605 807 HA LYS 32 HA LYS 32 5.917 -9.472 -15.710 808 1HB LYS 32 2HB LYS 32 5.643 -9.327 -12.700 809 2HB LYS 32 1HB LYS 32 4.296 -9.763 -13.751 810 1HG LYS 32 2HG LYS 32 5.220 -11.788 -14.333 811 2HG LYS 32 1HG LYS 32 6.873 -11.190 -14.193 812 1HD LYS 32 2HD LYS 32 6.952 -11.534 -11.900 813 2HD LYS 32 1HD LYS 32 5.205 -11.379 -11.713 814 1HE LYS 32 2HE LYS 32 4.820 -13.558 -12.620 815 2HE LYS 32 1HE LYS 32 6.484 -13.688 -13.188 816 1HZ LYS 32 2HZ LYS 32 6.046 -13.234 -10.333 817 2HZ LYS 32 1HZ LYS 32 5.708 -14.783 -10.945 818 3HZ LYS 32 3HZ LYS 32 7.263 -14.124 -11.117 819 H ALA 33 H ALA 33 6.171 -6.827 -13.361 820 HA ALA 33 HA ALA 33 3.749 -5.492 -13.988 821 1HB ALA 33 1HB ALA 33 5.792 -4.991 -12.268 822 2HB ALA 33 3HB ALA 33 6.126 -3.783 -13.509 823 3HB ALA 33 2HB ALA 33 4.567 -3.792 -12.685 824 H ILE 34 H ILE 34 6.946 -5.342 -15.501 825 HA ILE 34 HA ILE 34 6.166 -3.342 -17.460 826 HB ILE 34 HB ILE 34 8.495 -5.276 -17.324 827 1HG1 ILE 34 2HG1 ILE 34 8.340 -3.393 -15.639 828 2HG1 ILE 34 1HG1 ILE 34 9.771 -3.331 -16.668 829 1HG2 ILE 34 2HG2 ILE 34 7.785 -3.139 -19.342 830 2HG2 ILE 34 1HG2 ILE 34 9.442 -3.703 -19.112 831 3HG2 ILE 34 3HG2 ILE 34 8.193 -4.829 -19.644 832 1HD1 ILE 34 3HD1 ILE 34 7.213 -1.784 -17.169 833 2HD1 ILE 34 2HD1 ILE 34 8.678 -1.108 -16.458 834 3HD1 ILE 34 1HD1 ILE 34 8.692 -1.686 -18.124 835 H HIS 35 H HIS 35 5.976 -6.811 -17.210 836 HA HIS 35 HA HIS 35 5.599 -7.303 -20.047 837 1HB HIS 35 2HB HIS 35 5.214 -8.911 -17.531 838 2HB HIS 35 1HB HIS 35 4.595 -9.514 -19.069 839 HD1 HIS 35 HD1 HIS 35 6.974 -10.907 -17.590 840 HD2 HIS 35 HD2 HIS 35 7.411 -8.086 -20.628 841 HE1 HIS 35 HE1 HIS 35 9.267 -11.285 -18.595 842 H ALA 36 H ALA 36 3.618 -6.098 -17.520 843 HA ALA 36 HA ALA 36 1.090 -6.918 -18.790 844 1HB ALA 36 2HB ALA 36 1.267 -6.733 -16.318 845 2HB ALA 36 1HB ALA 36 1.599 -5.008 -16.485 846 3HB ALA 36 3HB ALA 36 0.030 -5.656 -16.967 847 H GLY 37 H GLY 37 3.335 -4.315 -18.973 848 1HA GLY 37 2HA GLY 37 3.302 -2.321 -20.211 849 2HA GLY 37 1HA GLY 37 2.026 -3.072 -21.173 850 NH1 ARG 38 NH2 ARG 38 -5.214 -3.451 -16.655 851 NH2 ARG 38 NH1 ARG 38 -4.174 -5.443 -16.898 852 H ARG 38 H ARG 38 1.855 -2.460 -17.699 853 HA ARG 38 HA ARG 38 -0.615 -0.903 -18.144 854 1HB ARG 38 2HB ARG 38 0.388 -2.607 -16.083 855 2HB ARG 38 1HB ARG 38 0.130 -1.009 -15.383 856 1HG ARG 38 2HG ARG 38 -2.043 -1.623 -15.217 857 2HG ARG 38 1HG ARG 38 -2.112 -1.335 -16.956 858 1HD ARG 38 2HD ARG 38 -2.010 -3.584 -17.475 859 2HD ARG 38 1HD ARG 38 -1.100 -3.985 -16.019 860 HE ARG 38 HE ARG 38 -3.255 -3.708 -14.756 861 1HH1 ARG 38 1HH2 ARG 38 -5.224 -2.519 -16.294 862 2HH1 ARG 38 2HH2 ARG 38 -5.988 -3.788 -17.192 863 1HH2 ARG 38 2HH1 ARG 38 -3.388 -6.037 -16.725 864 2HH2 ARG 38 1HH1 ARG 38 -4.946 -5.781 -17.436 865 H LYS 39 H LYS 39 -0.875 1.149 -16.822 866 HA LYS 39 HA LYS 39 1.453 2.875 -17.296 867 1HB LYS 39 2HB LYS 39 -1.425 3.231 -16.819 868 2HB LYS 39 1HB LYS 39 -0.426 4.420 -15.984 869 1HG LYS 39 2HG LYS 39 0.457 5.271 -17.965 870 2HG LYS 39 1HG LYS 39 0.160 3.780 -18.857 871 1HD LYS 39 2HD LYS 39 -1.973 4.372 -19.385 872 2HD LYS 39 1HD LYS 39 -2.269 5.086 -17.800 873 1HE LYS 39 2HE LYS 39 -1.316 7.144 -18.405 874 2HE LYS 39 1HE LYS 39 -0.416 6.439 -19.749 875 1HZ LYS 39 2HZ LYS 39 -3.336 6.274 -19.820 876 2HZ LYS 39 1HZ LYS 39 -2.623 7.785 -20.131 877 3HZ LYS 39 3HZ LYS 39 -2.228 6.448 -21.095 878 H ILE 40 H ILE 40 2.747 1.634 -15.707 879 HA ILE 40 HA ILE 40 2.123 2.299 -12.873 880 HB ILE 40 HB ILE 40 4.541 0.706 -13.642 881 1HG1 ILE 40 2HG1 ILE 40 1.692 -0.335 -13.770 882 2HG1 ILE 40 1HG1 ILE 40 2.819 -0.223 -15.122 883 1HG2 ILE 40 1HG2 ILE 40 2.785 1.136 -11.339 884 2HG2 ILE 40 3HG2 ILE 40 3.098 -0.573 -11.642 885 3HG2 ILE 40 2HG2 ILE 40 4.444 0.538 -11.388 886 1HD1 ILE 40 3HD1 ILE 40 4.279 -1.631 -13.253 887 2HD1 ILE 40 2HD1 ILE 40 2.646 -2.243 -12.994 888 3HD1 ILE 40 1HD1 ILE 40 3.386 -2.353 -14.592 889 H PHE 41 H PHE 41 2.736 4.423 -12.659 890 HA PHE 41 HA PHE 41 5.279 5.357 -13.806 891 1HB PHE 41 2HB PHE 41 3.444 6.910 -11.979 892 2HB PHE 41 1HB PHE 41 4.542 7.533 -13.213 893 HD1 PHE 41 HD2 PHE 41 1.330 5.764 -12.635 894 HD2 PHE 41 HD1 PHE 41 3.941 7.522 -15.561 895 HE1 PHE 41 HE2 PHE 41 -0.480 5.649 -14.324 896 HE2 PHE 41 HE1 PHE 41 2.128 7.405 -17.245 897 HZ PHE 41 HZ PHE 41 -0.082 6.469 -16.628 898 H LEU 42 H LEU 42 6.939 6.374 -12.427 899 HA LEU 42 HA LEU 42 6.941 5.279 -9.642 900 1HB LEU 42 2HB LEU 42 8.751 4.726 -11.818 901 2HB LEU 42 1HB LEU 42 9.621 5.517 -10.505 902 HG LEU 42 HG LEU 42 8.573 3.863 -8.920 903 1HD1 LEU 42 3HD1 LEU 42 7.581 2.776 -11.555 904 2HD1 LEU 42 2HD1 LEU 42 7.741 1.748 -10.129 905 3HD1 LEU 42 1HD1 LEU 42 6.648 3.132 -10.104 906 1HD2 LEU 42 2HD2 LEU 42 10.283 2.867 -11.216 907 2HD2 LEU 42 1HD2 LEU 42 10.836 3.462 -9.650 908 3HD2 LEU 42 3HD2 LEU 42 9.982 1.923 -9.758 909 H THR 43 H THR 43 6.646 7.114 -8.441 910 HA THR 43 HA THR 43 8.069 9.605 -9.187 911 HB THR 43 HB THR 43 6.103 9.035 -6.944 912 HG1 THR 43 HG1 THR 43 5.847 10.226 -9.500 913 1HG2 THR 43 3HG2 THR 43 7.238 11.639 -8.002 914 2HG2 THR 43 2HG2 THR 43 5.974 11.500 -6.781 915 3HG2 THR 43 1HG2 THR 43 7.601 10.916 -6.435 916 H ILE 44 H ILE 44 10.169 9.621 -8.498 917 HA ILE 44 HA ILE 44 10.833 8.333 -5.903 918 HB ILE 44 HB ILE 44 12.862 9.524 -7.775 919 1HG1 ILE 44 2HG1 ILE 44 11.694 6.742 -8.061 920 2HG1 ILE 44 1HG1 ILE 44 11.212 8.100 -9.078 921 1HG2 ILE 44 2HG2 ILE 44 12.739 7.436 -5.631 922 2HG2 ILE 44 1HG2 ILE 44 13.942 7.260 -6.909 923 3HG2 ILE 44 3HG2 ILE 44 13.938 8.701 -5.892 924 1HD1 ILE 44 2HD1 ILE 44 14.132 7.509 -8.775 925 2HD1 ILE 44 1HD1 ILE 44 13.169 6.482 -9.838 926 3HD1 ILE 44 3HD1 ILE 44 13.269 8.216 -10.142 927 H ASN 45 H ASN 45 9.999 10.010 -4.520 928 HA ASN 45 HA ASN 45 10.347 12.741 -4.623 929 1HB ASN 45 2HB ASN 45 10.658 10.919 -2.224 930 2HB ASN 45 1HB ASN 45 10.536 12.675 -2.108 931 1HD2 ASN 45 2HD2 ASN 45 7.070 11.464 -1.732 932 2HD2 ASN 45 1HD2 ASN 45 8.504 11.454 -0.824 933 H ALA 46 H ALA 46 12.007 14.178 -4.321 934 HA ALA 46 HA ALA 46 14.610 13.678 -5.029 935 1HB ALA 46 3HB ALA 46 13.329 15.896 -4.237 936 2HB ALA 46 2HB ALA 46 14.286 15.607 -2.784 937 3HB ALA 46 1HB ALA 46 15.088 15.814 -4.341 938 H ASP 47 H ASP 47 13.181 12.833 -1.949 939 HA ASP 47 HA ASP 47 15.779 12.455 -0.643 940 1HB ASP 47 2HB ASP 47 13.078 11.428 0.266 941 2HB ASP 47 1HB ASP 47 14.512 11.697 1.257 942 H GLY 48 H GLY 48 15.228 10.946 -3.164 943 1HA GLY 48 2HA GLY 48 15.557 8.780 -3.991 944 2HA GLY 48 1HA GLY 48 16.362 8.447 -2.456 945 H SER 49 H SER 49 13.089 9.569 -2.386 946 HA SER 49 HA SER 49 12.259 6.959 -1.260 947 1HB SER 49 2HB SER 49 11.155 8.397 0.094 948 2HB SER 49 1HB SER 49 11.416 9.744 -1.009 949 HG SER 49 HG SER 49 9.366 9.516 -1.412 950 H VAL 50 H VAL 50 11.365 5.459 -2.608 951 HA VAL 50 HA VAL 50 10.430 6.277 -5.267 952 HB VAL 50 HB VAL 50 10.220 3.528 -4.013 953 1HG1 VAL 50 2HG1 VAL 50 10.039 4.688 -6.780 954 2HG1 VAL 50 1HG1 VAL 50 10.601 3.030 -6.569 955 3HG1 VAL 50 3HG1 VAL 50 8.997 3.496 -6.004 956 1HG2 VAL 50 3HG2 VAL 50 12.576 4.862 -4.234 957 2HG2 VAL 50 2HG2 VAL 50 12.432 3.117 -4.446 958 3HG2 VAL 50 1HG2 VAL 50 12.457 4.179 -5.855 959 OH TYR 51 OH TYR 51 0.381 7.933 -4.298 960 H TYR 51 H TYR 51 8.303 6.261 -5.968 961 HA TYR 51 HA TYR 51 6.164 5.407 -4.115 962 1HB TYR 51 2HB TYR 51 6.459 7.733 -3.464 963 2HB TYR 51 1HB TYR 51 6.452 8.245 -5.152 964 HD1 TYR 51 HD2 TYR 51 4.267 5.644 -3.646 965 HD2 TYR 51 HD1 TYR 51 4.514 9.656 -5.161 966 HE1 TYR 51 HE2 TYR 51 1.795 5.819 -3.580 967 HE2 TYR 51 HE1 TYR 51 2.040 9.831 -5.097 968 HH TYR 51 HH TYR 51 0.143 8.841 -4.496 969 H ALA 52 H ALA 52 6.067 3.825 -5.912 970 HA ALA 52 HA ALA 52 5.369 4.770 -8.576 971 1HB ALA 52 2HB ALA 52 6.557 2.596 -8.071 972 2HB ALA 52 1HB ALA 52 5.027 1.982 -7.445 973 3HB ALA 52 3HB ALA 52 5.167 2.438 -9.143 974 H GLU 53 H GLU 53 3.342 4.791 -9.524 975 HA GLU 53 HA GLU 53 1.009 4.050 -7.827 976 1HB GLU 53 2HB GLU 53 1.806 6.732 -8.694 977 2HB GLU 53 1HB GLU 53 0.168 6.315 -9.199 978 1HG GLU 53 2HG GLU 53 0.154 5.383 -6.639 979 2HG GLU 53 1HG GLU 53 1.248 6.759 -6.480 980 H GLU 54 H GLU 54 -0.964 3.825 -9.132 981 HA GLU 54 HA GLU 54 -0.326 3.060 -11.952 982 1HB GLU 54 2HB GLU 54 -0.994 1.148 -10.497 983 2HB GLU 54 1HB GLU 54 -2.512 1.974 -10.142 984 1HG GLU 54 2HG GLU 54 -2.894 2.052 -12.672 985 2HG GLU 54 1HG GLU 54 -1.561 0.904 -12.803 986 H VAL 55 H VAL 55 -1.562 4.065 -13.533 987 HA VAL 55 HA VAL 55 -4.087 5.365 -12.784 988 HB VAL 55 HB VAL 55 -2.350 7.303 -14.137 989 1HG1 VAL 55 1HG1 VAL 55 -4.206 7.224 -11.758 990 2HG1 VAL 55 3HG1 VAL 55 -3.264 8.665 -12.142 991 3HG1 VAL 55 2HG1 VAL 55 -4.439 8.044 -13.302 992 1HG2 VAL 55 3HG2 VAL 55 -0.744 6.085 -12.538 993 2HG2 VAL 55 2HG2 VAL 55 -0.896 7.827 -12.313 994 3HG2 VAL 55 1HG2 VAL 55 -1.738 6.721 -11.229 995 H LYS 56 H LYS 56 -5.276 4.462 -14.398 996 HA LYS 56 HA LYS 56 -4.534 5.144 -17.176 997 1HB LYS 56 2HB LYS 56 -3.504 3.007 -17.056 998 2HB LYS 56 1HB LYS 56 -4.837 2.331 -16.121 999 1HG LYS 56 2HG LYS 56 -5.977 1.793 -17.992 1000 2HG LYS 56 1HG LYS 56 -5.781 3.420 -18.645 1001 1HD LYS 56 2HD LYS 56 -4.672 1.945 -20.175 1002 2HD LYS 56 1HD LYS 56 -3.401 2.757 -19.260 1003 1HE LYS 56 2HE LYS 56 -2.791 0.847 -18.149 1004 2HE LYS 56 1HE LYS 56 -4.440 0.221 -18.108 1005 1HZ LYS 56 1HZ LYS 56 -4.150 -0.050 -20.612 1006 2HZ LYS 56 3HZ LYS 56 -2.488 0.127 -20.323 1007 3HZ LYS 56 2HZ LYS 56 -3.343 -1.154 -19.603 1008 HA PRO 57 HA PRO 57 -8.942 5.717 -17.061 1009 1HB PRO 57 2HB PRO 57 -9.182 6.570 -19.662 1010 2HB PRO 57 1HB PRO 57 -8.597 7.600 -18.344 1011 1HG PRO 57 2HG PRO 57 -7.052 6.305 -20.543 1012 2HG PRO 57 1HG PRO 57 -6.683 7.777 -19.628 1013 1HD PRO 57 2HD PRO 57 -5.509 5.235 -19.220 1014 2HD PRO 57 1HD PRO 57 -5.409 6.623 -18.113 1015 H PHE 58 H PHE 58 -10.864 4.866 -18.250 1016 HA PHE 58 HA PHE 58 -10.388 2.697 -20.178 1017 1HB PHE 58 2HB PHE 58 -10.742 0.936 -18.800 1018 2HB PHE 58 1HB PHE 58 -10.460 2.055 -17.473 1019 HD1 PHE 58 HD1 PHE 58 -13.192 0.846 -19.739 1020 HD2 PHE 58 HD2 PHE 58 -12.138 2.385 -15.870 1021 HE1 PHE 58 HE1 PHE 58 -15.525 0.503 -18.968 1022 HE2 PHE 58 HE2 PHE 58 -14.471 2.043 -15.098 1023 HZ PHE 58 HZ PHE 58 -16.164 1.102 -16.648 1024 HA PRO 59 HA PRO 59 -11.606 1.115 -20.970 1025 1HB PRO 59 2HB PRO 59 -12.579 0.979 -23.538 1026 2HB PRO 59 1HB PRO 59 -13.417 0.294 -22.135 1027 1HG PRO 59 2HG PRO 59 -14.048 2.771 -23.676 1028 2HG PRO 59 1HG PRO 59 -15.131 1.720 -22.747 1029 1HD PRO 59 2HD PRO 59 -14.112 4.211 -21.884 1030 2HD PRO 59 1HD PRO 59 -14.890 2.992 -20.851 1031 H SER 60 H SER 60 -10.691 0.923 -23.634 1032 HA SER 60 HA SER 60 -8.351 2.419 -23.684 1033 1HB SER 60 2HB SER 60 -8.110 1.794 -25.957 1034 2HB SER 60 1HB SER 60 -9.113 0.522 -25.263 1035 HG SER 60 HG SER 60 -10.799 1.245 -26.348 1036 H ASN 61 H ASN 61 -11.579 3.444 -24.554 1037 HA ASN 61 HA ASN 61 -10.461 6.109 -25.330 1038 1HB ASN 61 2HB ASN 61 -13.203 5.079 -26.073 1039 2HB ASN 61 1HB ASN 61 -12.315 6.424 -26.790 1040 1HD2 ASN 61 2HD2 ASN 61 -11.958 3.394 -28.997 1041 2HD2 ASN 61 1HD2 ASN 61 -13.293 4.255 -28.396 1042 H LYS 62 H LYS 62 -11.280 7.914 -24.263 1043 HA LYS 62 HA LYS 62 -13.078 7.326 -21.955 1044 1HB LYS 62 2HB LYS 62 -11.763 9.978 -22.133 1045 2HB LYS 62 1HB LYS 62 -11.945 8.904 -20.748 1046 1HG LYS 62 2HG LYS 62 -9.676 8.675 -21.080 1047 2HG LYS 62 1HG LYS 62 -10.240 7.408 -22.168 1048 1HD LYS 62 2HD LYS 62 -9.172 8.476 -23.840 1049 2HD LYS 62 1HD LYS 62 -10.355 9.775 -23.680 1050 1HE LYS 62 2HE LYS 62 -8.656 11.126 -23.070 1051 2HE LYS 62 1HE LYS 62 -8.546 10.192 -21.578 1052 1HZ LYS 62 2HZ LYS 62 -7.262 9.137 -23.993 1053 2HZ LYS 62 1HZ LYS 62 -6.506 10.416 -23.168 1054 3HZ LYS 62 3HZ LYS 62 -6.816 8.954 -22.364 1055 H LYS 63 H LYS 63 -13.900 7.806 -24.804 1056 HA LYS 63 HA LYS 63 -16.165 9.480 -24.291 1057 1HB LYS 63 2HB LYS 63 -13.863 10.965 -24.755 1058 2HB LYS 63 1HB LYS 63 -14.642 10.917 -26.337 1059 1HG LYS 63 2HG LYS 63 -16.793 11.401 -24.734 1060 2HG LYS 63 1HG LYS 63 -15.524 12.237 -23.839 1061 1HD LYS 63 2HD LYS 63 -16.145 13.920 -25.301 1062 2HD LYS 63 1HD LYS 63 -14.888 13.137 -26.259 1063 1HE LYS 63 2HE LYS 63 -16.446 12.029 -27.628 1064 2HE LYS 63 1HE LYS 63 -17.752 12.226 -26.459 1065 1HZ LYS 63 2HZ LYS 63 -17.263 14.745 -26.893 1066 2HZ LYS 63 1HZ LYS 63 -16.653 14.159 -28.367 1067 3HZ LYS 63 3HZ LYS 63 -18.268 13.860 -27.940 1068 H THR 64 H THR 64 -14.100 9.253 -27.201 1069 HA THR 64 HA THR 64 -15.880 7.246 -28.390 1070 HB THR 64 HB THR 64 -16.441 8.702 -30.345 1071 HG1 THR 64 HG1 THR 64 -14.625 10.205 -29.484 1072 1HG2 THR 64 3HG2 THR 64 -17.921 8.378 -28.272 1073 2HG2 THR 64 2HG2 THR 64 -17.389 9.986 -27.781 1074 3HG2 THR 64 1HG2 THR 64 -18.279 9.772 -29.289 1075 H THR 65 H THR 65 -15.143 7.351 -30.995 1076 HA THR 65 HA THR 65 -12.274 6.713 -30.847 1077 HB THR 65 HB THR 65 -13.879 6.651 -33.388 1078 HG1 THR 65 HG1 THR 65 -14.946 4.908 -32.743 1079 1HG2 THR 65 2HG2 THR 65 -11.317 5.921 -32.725 1080 2HG2 THR 65 1HG2 THR 65 -12.183 4.393 -32.569 1081 3HG2 THR 65 3HG2 THR 65 -12.222 5.277 -34.095 1082 H ALA 66 HN ALA 66 -11.729 9.054 -30.426 1083 HA ALA 66 HA ALA 66 -12.178 11.201 -32.143 1084 1HB ALA 66 2HB ALA 66 -10.755 11.046 -29.959 1085 2HB ALA 66 1HB ALA 66 -9.416 10.702 -31.054 1086 3HB ALA 66 3HB ALA 66 -10.293 12.225 -31.186 Start of MODEL 8 Raw file had 1086 H/Q atoms Start of MODEL 8 1 1H MET 1 1H MET 1 -22.765 19.471 -14.048 2 2H MET 1 3H MET 1 -24.029 20.272 -13.248 3 3H MET 1 2H MET 1 -22.553 21.070 -13.516 4 HA MET 1 HA MET 1 -22.045 20.470 -11.442 5 1HB MET 1 2HB MET 1 -24.572 19.532 -11.490 6 2HB MET 1 1HB MET 1 -23.706 18.000 -11.364 7 1HG MET 1 2HG MET 1 -22.370 19.540 -9.526 8 2HG MET 1 1HG MET 1 -24.017 20.151 -9.372 9 1HE MET 1 3HE MET 1 -23.945 19.650 -7.180 10 2HE MET 1 2HE MET 1 -24.528 18.148 -6.467 11 3HE MET 1 1HE MET 1 -22.798 18.397 -6.683 12 H GLU 2 H GLU 2 -21.057 18.406 -10.291 13 HA GLU 2 HA GLU 2 -19.633 16.827 -12.397 14 1HB GLU 2 2HB GLU 2 -18.687 17.966 -9.764 15 2HB GLU 2 1HB GLU 2 -17.825 16.651 -10.565 16 1HG GLU 2 2HG GLU 2 -18.340 18.554 -12.579 17 2HG GLU 2 1HG GLU 2 -17.794 19.479 -11.178 18 H GLN 3 H GLN 3 -20.720 14.886 -12.380 19 HA GLN 3 HA GLN 3 -21.674 13.730 -9.855 20 1HB GLN 3 2HB GLN 3 -21.819 12.931 -12.755 21 2HB GLN 3 1HB GLN 3 -22.236 11.777 -11.488 22 1HG GLN 3 2HG GLN 3 -23.855 13.443 -10.564 23 2HG GLN 3 1HG GLN 3 -23.499 14.496 -11.934 24 1HE2 GLN 3 2HE2 GLN 3 -26.442 12.637 -13.067 25 2HE2 GLN 3 1HE2 GLN 3 -26.064 13.920 -12.023 26 NH1 ARG 4 NH1 ARG 4 -14.206 13.163 -9.812 27 NH2 ARG 4 NH2 ARG 4 -13.878 15.278 -9.086 28 H ARG 4 H ARG 4 -20.120 12.825 -8.567 29 HA ARG 4 HA ARG 4 -17.976 11.226 -9.901 30 1HB ARG 4 2HB ARG 4 -17.944 12.085 -7.006 31 2HB ARG 4 1HB ARG 4 -16.580 11.656 -8.041 32 1HG ARG 4 2HG ARG 4 -18.300 14.145 -8.237 33 2HG ARG 4 1HG ARG 4 -16.597 14.065 -7.783 34 1HD ARG 4 2HD ARG 4 -16.643 12.747 -10.215 35 2HD ARG 4 1HD ARG 4 -17.816 14.042 -10.449 36 HE ARG 4 HE ARG 4 -16.031 15.582 -10.397 37 1HH1 ARG 4 2HH1 ARG 4 -14.793 12.474 -10.237 38 2HH1 ARG 4 1HH1 ARG 4 -13.279 12.920 -9.523 39 1HH2 ARG 4 1HH2 ARG 4 -14.214 16.211 -8.954 40 2HH2 ARG 4 2HH2 ARG 4 -12.953 15.034 -8.794 41 H ILE 5 H ILE 5 -18.451 9.080 -9.891 42 HA ILE 5 HA ILE 5 -19.523 7.882 -7.392 43 HB ILE 5 HB ILE 5 -20.686 6.903 -9.963 44 1HG1 ILE 5 2HG1 ILE 5 -20.832 9.442 -10.004 45 2HG1 ILE 5 1HG1 ILE 5 -22.385 8.607 -10.032 46 1HG2 ILE 5 2HG2 ILE 5 -21.409 7.057 -7.060 47 2HG2 ILE 5 1HG2 ILE 5 -22.708 6.936 -8.247 48 3HG2 ILE 5 3HG2 ILE 5 -21.473 5.679 -8.159 49 1HD1 ILE 5 2HD1 ILE 5 -21.565 9.008 -7.300 50 2HD1 ILE 5 1HD1 ILE 5 -21.509 10.546 -8.163 51 3HD1 ILE 5 3HD1 ILE 5 -23.006 9.614 -8.120 52 H THR 6 H THR 6 -18.748 5.790 -7.043 53 HA THR 6 HA THR 6 -16.424 4.975 -8.549 54 HB THR 6 HB THR 6 -17.948 3.089 -6.771 55 HG1 THR 6 HG1 THR 6 -16.868 4.168 -5.016 56 1HG2 THR 6 2HG2 THR 6 -15.660 2.711 -8.023 57 2HG2 THR 6 1HG2 THR 6 -15.007 3.673 -6.696 58 3HG2 THR 6 3HG2 THR 6 -15.854 2.163 -6.357 59 H LEU 7 H LEU 7 -16.226 3.250 -10.029 60 HA LEU 7 HA LEU 7 -18.368 2.780 -11.820 61 1HB LEU 7 2HB LEU 7 -16.194 2.352 -12.650 62 2HB LEU 7 1HB LEU 7 -15.775 1.333 -11.275 63 HG LEU 7 HG LEU 7 -17.442 -0.345 -12.039 64 1HD1 LEU 7 1HD1 LEU 7 -18.627 1.647 -13.393 65 2HD1 LEU 7 3HD1 LEU 7 -17.626 1.002 -14.694 66 3HD1 LEU 7 2HD1 LEU 7 -18.792 -0.040 -13.880 67 1HD2 LEU 7 3HD2 LEU 7 -15.157 0.544 -13.766 68 2HD2 LEU 7 2HD2 LEU 7 -15.321 -0.923 -12.802 69 3HD2 LEU 7 1HD2 LEU 7 -16.183 -0.774 -14.333 70 H LYS 8 H LYS 8 -17.753 1.448 -8.725 71 HA LYS 8 HA LYS 8 -19.310 -1.003 -9.222 72 1HB LYS 8 2HB LYS 8 -18.746 -1.600 -6.969 73 2HB LYS 8 1HB LYS 8 -17.298 -0.882 -7.674 74 1HG LYS 8 2HG LYS 8 -17.709 1.221 -6.577 75 2HG LYS 8 1HG LYS 8 -19.307 0.695 -6.047 76 1HD LYS 8 2HD LYS 8 -18.432 -0.787 -4.451 77 2HD LYS 8 1HD LYS 8 -16.853 -0.848 -5.237 78 1HE LYS 8 2HE LYS 8 -16.236 0.661 -3.653 79 2HE LYS 8 1HE LYS 8 -17.083 1.827 -4.669 80 1HZ LYS 8 1HZ LYS 8 -18.288 0.295 -2.429 81 2HZ LYS 8 3HZ LYS 8 -17.838 1.929 -2.376 82 3HZ LYS 8 2HZ LYS 8 -19.094 1.428 -3.405 83 H ASP 9 H ASP 9 -19.742 2.177 -7.778 84 HA ASP 9 HA ASP 9 -22.308 1.453 -6.564 85 1HB ASP 9 2HB ASP 9 -20.923 4.121 -6.947 86 2HB ASP 9 1HB ASP 9 -22.446 3.914 -6.082 87 OH TYR 10 OH TYR 10 -24.951 4.686 -16.560 88 H TYR 10 H TYR 10 -21.203 2.972 -9.538 89 HA TYR 10 HA TYR 10 -23.897 3.841 -10.298 90 1HB TYR 10 2HB TYR 10 -22.074 5.150 -11.160 91 2HB TYR 10 1HB TYR 10 -21.248 3.716 -11.768 92 HD1 TYR 10 HD2 TYR 10 -22.467 2.314 -13.564 93 HD2 TYR 10 HD1 TYR 10 -23.568 6.337 -12.542 94 HE1 TYR 10 HE2 TYR 10 -23.662 2.535 -15.725 95 HE2 TYR 10 HE1 TYR 10 -24.759 6.559 -14.707 96 HH TYR 10 HH TYR 10 -24.873 3.852 -17.030 97 H ALA 11 H ALA 11 -21.822 1.057 -10.835 98 HA ALA 11 HA ALA 11 -23.523 -0.047 -12.941 99 1HB ALA 11 3HB ALA 11 -21.056 -0.877 -11.494 100 2HB ALA 11 2HB ALA 11 -22.043 -2.158 -12.198 101 3HB ALA 11 1HB ALA 11 -21.398 -0.876 -13.224 102 H MET 12 H MET 12 -23.218 -0.412 -9.426 103 HA MET 12 HA MET 12 -25.114 -2.662 -9.442 104 1HB MET 12 2HB MET 12 -23.496 -3.024 -7.819 105 2HB MET 12 1HB MET 12 -23.359 -1.313 -7.426 106 1HG MET 12 2HG MET 12 -24.448 -2.460 -5.589 107 2HG MET 12 1HG MET 12 -25.622 -1.417 -6.387 108 1HE MET 12 2HE MET 12 -26.583 -2.960 -4.602 109 2HE MET 12 1HE MET 12 -27.879 -3.961 -5.253 110 3HE MET 12 3HE MET 12 -26.396 -4.711 -4.648 111 NH1 ARG 13 NH1 ARG 13 -24.485 5.228 -4.487 112 NH2 ARG 13 NH2 ARG 13 -26.358 6.456 -4.189 113 H ARG 13 H ARG 13 -25.066 0.787 -8.719 114 HA ARG 13 HA ARG 13 -27.733 0.723 -7.501 115 1HB ARG 13 2HB ARG 13 -25.959 3.021 -8.374 116 2HB ARG 13 1HB ARG 13 -27.515 3.225 -7.572 117 1HG ARG 13 2HG ARG 13 -26.097 1.342 -6.021 118 2HG ARG 13 1HG ARG 13 -24.944 2.623 -6.399 119 1HD ARG 13 2HD ARG 13 -27.727 3.120 -5.302 120 2HD ARG 13 1HD ARG 13 -26.271 3.057 -4.309 121 HE ARG 13 HE ARG 13 -26.656 5.078 -6.484 122 1HH1 ARG 13 2HH1 ARG 13 -24.009 4.467 -4.929 123 2HH1 ARG 13 1HH1 ARG 13 -24.001 5.808 -3.832 124 1HH2 ARG 13 1HH2 ARG 13 -27.318 6.638 -4.402 125 2HH2 ARG 13 2HH2 ARG 13 -25.875 7.035 -3.533 126 H PHE 14 H PHE 14 -26.318 1.639 -10.614 127 HA PHE 14 HA PHE 14 -29.028 2.262 -11.648 128 1HB PHE 14 2HB PHE 14 -26.326 2.532 -13.000 129 2HB PHE 14 1HB PHE 14 -27.862 3.151 -13.609 130 HD1 PHE 14 HD2 PHE 14 -29.208 4.645 -11.848 131 HD2 PHE 14 HD1 PHE 14 -24.965 3.999 -11.798 132 HE1 PHE 14 HE2 PHE 14 -28.911 6.715 -10.516 133 HE2 PHE 14 HE1 PHE 14 -24.666 6.067 -10.463 134 HZ PHE 14 HZ PHE 14 -26.638 7.424 -9.822 135 H GLY 15 H GLY 15 -26.338 0.018 -12.149 136 1HA GLY 15 2HA GLY 15 -27.387 -2.322 -12.693 137 2HA GLY 15 1HA GLY 15 -28.003 -1.479 -14.115 138 H GLN 16 H GLN 16 -25.794 -3.639 -13.485 139 HA GLN 16 HA GLN 16 -23.317 -2.500 -14.411 140 1HB GLN 16 2HB GLN 16 -24.404 -5.214 -13.921 141 2HB GLN 16 1HB GLN 16 -23.111 -5.122 -15.118 142 1HG GLN 16 2HG GLN 16 -21.750 -3.819 -13.463 143 2HG GLN 16 1HG GLN 16 -23.013 -4.103 -12.266 144 1HE2 GLN 16 2HE2 GLN 16 -20.241 -6.876 -12.596 145 2HE2 GLN 16 1HE2 GLN 16 -20.055 -5.229 -12.961 146 H THR 17 H THR 17 -26.158 -3.755 -16.029 147 HA THR 17 HA THR 17 -24.948 -4.078 -18.631 148 HB THR 17 HB THR 17 -27.839 -3.611 -17.840 149 HG1 THR 17 HG1 THR 17 -26.155 -5.760 -17.789 150 1HG2 THR 17 2HG2 THR 17 -26.885 -3.236 -20.319 151 2HG2 THR 17 1HG2 THR 17 -27.063 -4.990 -20.361 152 3HG2 THR 17 3HG2 THR 17 -28.460 -3.970 -20.019 153 H LYS 18 H LYS 18 -26.561 -1.384 -16.983 154 HA LYS 18 HA LYS 18 -26.598 0.317 -19.335 155 1HB LYS 18 2HB LYS 18 -26.829 0.971 -16.383 156 2HB LYS 18 1HB LYS 18 -27.102 2.128 -17.686 157 1HG LYS 18 2HG LYS 18 -29.130 1.240 -18.221 158 2HG LYS 18 1HG LYS 18 -28.585 -0.416 -17.953 159 1HD LYS 18 2HD LYS 18 -29.525 -0.429 -15.909 160 2HD LYS 18 1HD LYS 18 -28.591 0.993 -15.444 161 1HE LYS 18 2HE LYS 18 -30.949 1.531 -15.244 162 2HE LYS 18 1HE LYS 18 -30.293 2.416 -16.621 163 1HZ LYS 18 1HZ LYS 18 -31.358 -0.240 -17.156 164 2HZ LYS 18 3HZ LYS 18 -32.490 0.964 -16.773 165 3HZ LYS 18 2HZ LYS 18 -31.440 1.175 -18.092 166 H THR 19 H THR 19 -24.362 -0.231 -16.669 167 HA THR 19 HA THR 19 -22.669 2.035 -17.180 168 HB THR 19 HB THR 19 -21.854 -0.632 -15.991 169 HG1 THR 19 HG1 THR 19 -23.779 0.716 -15.150 170 1HG2 THR 19 1HG2 THR 19 -20.398 1.685 -16.567 171 2HG2 THR 19 3HG2 THR 19 -20.748 1.800 -14.843 172 3HG2 THR 19 2HG2 THR 19 -19.910 0.385 -15.481 173 H ALA 20 H ALA 20 -22.637 -1.325 -18.355 174 HA ALA 20 HA ALA 20 -20.182 -0.999 -19.857 175 1HB ALA 20 1HB ALA 20 -21.850 -3.137 -19.169 176 2HB ALA 20 3HB ALA 20 -21.984 -3.022 -20.925 177 3HB ALA 20 2HB ALA 20 -20.402 -3.224 -20.173 178 H LYS 21 H LYS 21 -23.532 -0.258 -20.444 179 HA LYS 21 HA LYS 21 -23.247 -0.082 -23.347 180 1HB LYS 21 2HB LYS 21 -25.419 -0.492 -21.992 181 2HB LYS 21 1HB LYS 21 -25.416 1.251 -21.728 182 1HG LYS 21 2HG LYS 21 -25.717 1.732 -23.992 183 2HG LYS 21 1HG LYS 21 -25.064 0.177 -24.511 184 1HD LYS 21 2HD LYS 21 -27.168 -0.737 -23.140 185 2HD LYS 21 1HD LYS 21 -27.807 0.855 -23.547 186 1HE LYS 21 2HE LYS 21 -27.069 0.359 -25.956 187 2HE LYS 21 1HE LYS 21 -26.874 -1.314 -25.432 188 1HZ LYS 21 2HZ LYS 21 -29.376 0.074 -24.799 189 2HZ LYS 21 1HZ LYS 21 -29.134 -0.465 -26.392 190 3HZ LYS 21 3HZ LYS 21 -29.102 -1.573 -25.108 191 H ASP 22 H ASP 22 -22.824 2.051 -20.608 192 HA ASP 22 HA ASP 22 -22.778 4.471 -22.269 193 1HB ASP 22 2HB ASP 22 -23.292 4.060 -19.626 194 2HB ASP 22 1HB ASP 22 -21.601 4.555 -19.554 195 H LEU 23 H LEU 23 -20.455 2.317 -20.700 196 HA LEU 23 HA LEU 23 -18.182 3.955 -21.587 197 1HB LEU 23 2HB LEU 23 -18.418 1.313 -20.132 198 2HB LEU 23 1HB LEU 23 -16.864 1.980 -20.633 199 HG LEU 23 HG LEU 23 -18.400 4.046 -19.354 200 1HD1 LEU 23 3HD1 LEU 23 -18.574 1.364 -18.141 201 2HD1 LEU 23 2HD1 LEU 23 -18.014 2.629 -17.048 202 3HD1 LEU 23 1HD1 LEU 23 -19.569 2.794 -17.864 203 1HD2 LEU 23 1HD2 LEU 23 -15.787 2.626 -18.992 204 2HD2 LEU 23 3HD2 LEU 23 -16.098 4.336 -19.285 205 3HD2 LEU 23 2HD2 LEU 23 -16.369 3.653 -17.683 206 H GLY 24 H GLY 24 -20.158 1.525 -22.919 207 1HA GLY 24 2HA GLY 24 -20.047 0.464 -25.012 208 2HA GLY 24 1HA GLY 24 -18.653 1.480 -25.377 209 H VAL 25 H VAL 25 -18.910 -0.761 -22.642 210 HA VAL 25 HA VAL 25 -16.692 -2.333 -23.894 211 HB VAL 25 HB VAL 25 -16.494 -2.956 -21.252 212 1HG1 VAL 25 1HG1 VAL 25 -14.828 -1.991 -23.020 213 2HG1 VAL 25 3HG1 VAL 25 -15.207 -0.437 -22.277 214 3HG1 VAL 25 2HG1 VAL 25 -14.498 -1.728 -21.307 215 1HG2 VAL 25 2HG2 VAL 25 -18.342 -1.172 -20.888 216 2HG2 VAL 25 1HG2 VAL 25 -16.909 -1.084 -19.864 217 3HG2 VAL 25 3HG2 VAL 25 -17.079 0.007 -21.240 218 OH TYR 26 OH TYR 26 -13.176 -5.407 -26.280 219 H TYR 26 H TYR 26 -16.641 -4.640 -22.723 220 HA TYR 26 HA TYR 26 -19.286 -5.810 -23.265 221 1HB TYR 26 2HB TYR 26 -17.186 -7.577 -22.176 222 2HB TYR 26 1HB TYR 26 -18.176 -7.768 -23.621 223 HD1 TYR 26 HD2 TYR 26 -17.632 -6.076 -25.589 224 HD2 TYR 26 HD1 TYR 26 -14.916 -7.096 -22.420 225 HE1 TYR 26 HE2 TYR 26 -15.721 -5.348 -26.992 226 HE2 TYR 26 HE1 TYR 26 -13.005 -6.368 -23.825 227 HH TYR 26 HH TYR 26 -12.469 -5.125 -25.696 228 H GLN 27 H GLN 27 -20.344 -7.249 -21.687 229 HA GLN 27 HA GLN 27 -20.463 -6.068 -19.055 230 1HB GLN 27 2HB GLN 27 -22.005 -7.912 -20.575 231 2HB GLN 27 1HB GLN 27 -21.569 -8.721 -19.068 232 1HG GLN 27 2HG GLN 27 -22.236 -6.309 -18.075 233 2HG GLN 27 1HG GLN 27 -23.270 -6.317 -19.505 234 1HE2 GLN 27 2HE2 GLN 27 -23.874 -9.313 -16.738 235 2HE2 GLN 27 1HE2 GLN 27 -22.299 -8.730 -16.986 236 H SER 28 H SER 28 -18.624 -8.665 -20.472 237 HA SER 28 HA SER 28 -17.943 -9.972 -17.970 238 1HB SER 28 2HB SER 28 -17.596 -10.547 -20.677 239 2HB SER 28 1HB SER 28 -15.960 -10.251 -20.096 240 HG SER 28 HG SER 28 -17.703 -11.819 -18.557 241 H ALA 29 H ALA 29 -16.822 -7.163 -19.660 242 HA ALA 29 HA ALA 29 -14.246 -7.077 -18.237 243 1HB ALA 29 3HB ALA 29 -15.640 -4.999 -19.961 244 2HB ALA 29 2HB ALA 29 -13.984 -4.886 -19.363 245 3HB ALA 29 1HB ALA 29 -14.421 -6.142 -20.522 246 H ILE 30 H ILE 30 -17.493 -5.903 -17.926 247 HA ILE 30 HA ILE 30 -16.860 -3.895 -15.901 248 HB ILE 30 HB ILE 30 -19.442 -5.127 -16.889 249 1HG1 ILE 30 2HG1 ILE 30 -18.198 -3.522 -18.371 250 2HG1 ILE 30 1HG1 ILE 30 -19.791 -2.938 -17.890 251 1HG2 ILE 30 3HG2 ILE 30 -18.931 -3.829 -14.396 252 2HG2 ILE 30 2HG2 ILE 30 -19.878 -2.732 -15.402 253 3HG2 ILE 30 1HG2 ILE 30 -20.480 -4.354 -15.057 254 1HD1 ILE 30 3HD1 ILE 30 -18.577 -1.765 -15.942 255 2HD1 ILE 30 2HD1 ILE 30 -17.092 -2.085 -16.839 256 3HD1 ILE 30 1HD1 ILE 30 -18.355 -1.082 -17.553 257 H ASN 31 H ASN 31 -17.953 -7.248 -15.995 258 HA ASN 31 HA ASN 31 -18.455 -7.408 -13.134 259 1HB ASN 31 2HB ASN 31 -19.497 -8.934 -14.849 260 2HB ASN 31 1HB ASN 31 -17.914 -9.680 -15.067 261 1HD2 ASN 31 2HD2 ASN 31 -19.537 -11.781 -12.527 262 2HD2 ASN 31 1HD2 ASN 31 -19.643 -11.505 -14.198 263 H LYS 32 H LYS 32 -15.726 -8.109 -15.276 264 HA LYS 32 HA LYS 32 -14.112 -9.363 -13.229 265 1HB LYS 32 2HB LYS 32 -13.585 -8.234 -15.965 266 2HB LYS 32 1HB LYS 32 -12.231 -8.662 -14.918 267 1HG LYS 32 2HG LYS 32 -12.711 -10.919 -14.984 268 2HG LYS 32 1HG LYS 32 -14.439 -10.652 -15.215 269 1HD LYS 32 2HD LYS 32 -13.915 -11.303 -17.358 270 2HD LYS 32 1HD LYS 32 -13.551 -9.584 -17.514 271 1HE LYS 32 2HE LYS 32 -11.250 -10.858 -16.408 272 2HE LYS 32 1HE LYS 32 -11.766 -11.800 -17.807 273 1HZ LYS 32 3HZ LYS 32 -12.019 -9.171 -18.562 274 2HZ LYS 32 2HZ LYS 32 -10.545 -9.236 -17.721 275 3HZ LYS 32 1HZ LYS 32 -10.811 -10.256 -19.053 276 H ALA 33 H ALA 33 -14.562 -6.055 -14.369 277 HA ALA 33 HA ALA 33 -12.324 -4.928 -12.949 278 1HB ALA 33 2HB ALA 33 -13.642 -3.816 -14.821 279 2HB ALA 33 1HB ALA 33 -14.910 -3.511 -13.634 280 3HB ALA 33 3HB ALA 33 -13.313 -2.791 -13.423 281 H ILE 34 H ILE 34 -15.766 -5.309 -12.149 282 HA ILE 34 HA ILE 34 -15.564 -4.065 -9.555 283 HB ILE 34 HB ILE 34 -17.557 -6.048 -10.692 284 1HG1 ILE 34 2HG1 ILE 34 -17.366 -3.711 -11.690 285 2HG1 ILE 34 1HG1 ILE 34 -18.953 -4.128 -11.045 286 1HG2 ILE 34 1HG2 ILE 34 -17.221 -4.909 -7.984 287 2HG2 ILE 34 3HG2 ILE 34 -18.848 -4.774 -8.652 288 3HG2 ILE 34 2HG2 ILE 34 -18.087 -6.358 -8.497 289 1HD1 ILE 34 1HD1 ILE 34 -16.877 -2.701 -9.378 290 2HD1 ILE 34 3HD1 ILE 34 -18.026 -1.827 -10.392 291 3HD1 ILE 34 2HD1 ILE 34 -18.609 -2.843 -9.074 292 H HIS 35 H HIS 35 -15.145 -7.347 -10.755 293 HA HIS 35 HA HIS 35 -15.057 -8.691 -8.238 294 1HB HIS 35 2HB HIS 35 -14.110 -9.253 -11.015 295 2HB HIS 35 1HB HIS 35 -13.443 -10.234 -9.709 296 HD1 HIS 35 HD1 HIS 35 -16.885 -8.983 -9.194 297 HD2 HIS 35 HD2 HIS 35 -15.088 -12.420 -10.723 298 HE1 HIS 35 HE1 HIS 35 -18.701 -10.747 -9.319 299 H ALA 36 H ALA 36 -12.680 -6.797 -10.001 300 HA ALA 36 HA ALA 36 -10.432 -7.666 -8.357 301 1HB ALA 36 3HB ALA 36 -10.781 -6.154 -10.737 302 2HB ALA 36 2HB ALA 36 -9.984 -5.096 -9.572 303 3HB ALA 36 1HB ALA 36 -9.262 -6.649 -9.991 304 H GLY 37 H GLY 37 -12.968 -5.332 -8.072 305 1HA GLY 37 2HA GLY 37 -13.333 -3.597 -6.522 306 2HA GLY 37 1HA GLY 37 -12.583 -4.722 -5.389 307 NH1 ARG 38 NH1 ARG 38 -5.654 -4.354 -11.947 308 NH2 ARG 38 NH2 ARG 38 -4.916 -6.108 -10.726 309 H ARG 38 H ARG 38 -11.060 -3.159 -8.190 310 HA ARG 38 HA ARG 38 -8.917 -2.190 -6.402 311 1HB ARG 38 2HB ARG 38 -9.250 -2.541 -9.357 312 2HB ARG 38 1HB ARG 38 -8.073 -1.358 -8.785 313 1HG ARG 38 2HG ARG 38 -6.695 -2.954 -7.889 314 2HG ARG 38 1HG ARG 38 -8.036 -4.007 -7.439 315 1HD ARG 38 2HD ARG 38 -7.845 -5.192 -9.347 316 2HD ARG 38 1HD ARG 38 -7.848 -3.724 -10.326 317 HE ARG 38 HE ARG 38 -5.298 -4.033 -9.040 318 1HH1 ARG 38 2HH1 ARG 38 -6.102 -3.462 -11.998 319 2HH1 ARG 38 1HH1 ARG 38 -5.323 -4.796 -12.781 320 1HH2 ARG 38 1HH2 ARG 38 -4.800 -6.559 -9.842 321 2HH2 ARG 38 2HH2 ARG 38 -4.583 -6.547 -11.561 322 H LYS 39 H LYS 39 -8.105 0.131 -7.679 323 HA LYS 39 HA LYS 39 -10.193 2.006 -6.789 324 1HB LYS 39 2HB LYS 39 -7.373 2.427 -7.821 325 2HB LYS 39 1HB LYS 39 -8.433 3.729 -7.279 326 1HG LYS 39 2HG LYS 39 -7.884 1.356 -5.505 327 2HG LYS 39 1HG LYS 39 -6.761 2.715 -5.564 328 1HD LYS 39 2HD LYS 39 -9.432 3.743 -5.354 329 2HD LYS 39 1HD LYS 39 -9.190 2.530 -4.095 330 1HE LYS 39 2HE LYS 39 -6.806 3.945 -4.073 331 2HE LYS 39 1HE LYS 39 -8.014 5.198 -4.354 332 1HZ LYS 39 2HZ LYS 39 -9.160 3.662 -2.448 333 2HZ LYS 39 1HZ LYS 39 -7.521 3.621 -2.003 334 3HZ LYS 39 3HZ LYS 39 -8.319 5.110 -2.161 335 H ILE 40 H ILE 40 -11.707 1.436 -8.510 336 HA ILE 40 HA ILE 40 -10.992 2.717 -11.117 337 HB ILE 40 HB ILE 40 -13.286 0.790 -10.764 338 1HG1 ILE 40 2HG1 ILE 40 -10.354 0.145 -11.189 339 2HG1 ILE 40 1HG1 ILE 40 -11.410 -0.456 -9.910 340 1HG2 ILE 40 1HG2 ILE 40 -12.069 2.265 -12.911 341 2HG2 ILE 40 3HG2 ILE 40 -11.882 0.542 -13.225 342 3HG2 ILE 40 2HG2 ILE 40 -13.488 1.220 -12.965 343 1HD1 ILE 40 3HD1 ILE 40 -12.699 -1.094 -12.340 344 2HD1 ILE 40 2HD1 ILE 40 -11.002 -1.518 -12.565 345 3HD1 ILE 40 1HD1 ILE 40 -11.915 -2.211 -11.224 346 H PHE 41 H PHE 41 -11.633 4.796 -10.550 347 HA PHE 41 HA PHE 41 -14.232 5.287 -9.309 348 1HB PHE 41 2HB PHE 41 -12.457 7.352 -10.610 349 2HB PHE 41 1HB PHE 41 -13.557 7.552 -9.242 350 HD1 PHE 41 HD2 PHE 41 -12.762 4.844 -7.915 351 HD2 PHE 41 HD1 PHE 41 -10.470 8.156 -9.413 352 HE1 PHE 41 HE2 PHE 41 -10.930 4.292 -6.341 353 HE2 PHE 41 HE1 PHE 41 -8.641 7.603 -7.834 354 HZ PHE 41 HZ PHE 41 -8.870 5.670 -6.301 355 H LEU 42 H LEU 42 -15.881 6.679 -10.370 356 HA LEU 42 HA LEU 42 -15.870 6.429 -13.349 357 1HB LEU 42 2HB LEU 42 -17.411 4.853 -11.690 358 2HB LEU 42 1HB LEU 42 -18.507 6.180 -12.071 359 HG LEU 42 HG LEU 42 -17.919 5.837 -14.511 360 1HD1 LEU 42 1HD1 LEU 42 -15.946 4.181 -13.412 361 2HD1 LEU 42 3HD1 LEU 42 -17.120 3.067 -14.112 362 3HD1 LEU 42 2HD1 LEU 42 -16.375 4.307 -15.118 363 1HD2 LEU 42 2HD2 LEU 42 -19.544 4.173 -12.745 364 2HD2 LEU 42 1HD2 LEU 42 -19.938 4.836 -14.332 365 3HD2 LEU 42 3HD2 LEU 42 -19.063 3.310 -14.207 366 H THR 43 H THR 43 -15.592 8.635 -13.768 367 HA THR 43 HA THR 43 -17.312 10.569 -12.323 368 HB THR 43 HB THR 43 -15.107 10.986 -14.365 369 HG1 THR 43 HG1 THR 43 -13.919 11.575 -12.584 370 1HG2 THR 43 2HG2 THR 43 -17.000 12.735 -14.202 371 2HG2 THR 43 1HG2 THR 43 -16.354 13.087 -12.599 372 3HG2 THR 43 3HG2 THR 43 -15.344 13.312 -14.026 373 H ILE 44 H ILE 44 -19.317 10.865 -13.170 374 HA ILE 44 HA ILE 44 -19.672 10.518 -16.109 375 HB ILE 44 HB ILE 44 -21.940 10.873 -14.171 376 1HG1 ILE 44 2HG1 ILE 44 -21.548 8.114 -14.473 377 2HG1 ILE 44 1HG1 ILE 44 -19.943 8.754 -14.118 378 1HG2 ILE 44 1HG2 ILE 44 -21.507 9.333 -16.747 379 2HG2 ILE 44 3HG2 ILE 44 -22.988 9.263 -15.793 380 3HG2 ILE 44 2HG2 ILE 44 -22.487 10.783 -16.534 381 1HD1 ILE 44 3HD1 ILE 44 -22.079 9.922 -12.466 382 2HD1 ILE 44 2HD1 ILE 44 -21.857 8.190 -12.224 383 3HD1 ILE 44 1HD1 ILE 44 -20.502 9.296 -11.987 384 H ASN 45 H ASN 45 -20.029 12.282 -17.368 385 HA ASN 45 HA ASN 45 -20.169 14.928 -16.106 386 1HB ASN 45 2HB ASN 45 -20.311 14.241 -19.054 387 2HB ASN 45 1HB ASN 45 -19.897 15.801 -18.342 388 1HD2 ASN 45 2HD2 ASN 45 -16.529 14.901 -17.664 389 2HD2 ASN 45 1HD2 ASN 45 -17.751 16.054 -17.421 390 H ALA 46 H ALA 46 -21.966 16.242 -16.066 391 HA ALA 46 HA ALA 46 -24.551 15.230 -15.963 392 1HB ALA 46 3HB ALA 46 -23.348 17.896 -16.212 393 2HB ALA 46 2HB ALA 46 -24.990 17.798 -16.849 394 3HB ALA 46 1HB ALA 46 -24.664 17.347 -15.175 395 H ASP 47 H ASP 47 -22.707 15.849 -18.829 396 HA ASP 47 HA ASP 47 -25.069 16.017 -20.565 397 1HB ASP 47 2HB ASP 47 -22.142 16.290 -20.864 398 2HB ASP 47 1HB ASP 47 -22.962 15.566 -22.248 399 H GLY 48 H GLY 48 -24.754 13.604 -18.890 400 1HA GLY 48 2HA GLY 48 -25.001 11.287 -19.119 401 2HA GLY 48 1HA GLY 48 -25.447 11.611 -20.795 402 H SER 49 H SER 49 -22.373 12.767 -19.704 403 HA SER 49 HA SER 49 -21.053 10.862 -21.551 404 1HB SER 49 2HB SER 49 -20.631 13.529 -21.036 405 2HB SER 49 1HB SER 49 -19.366 12.772 -20.075 406 HG SER 49 HG SER 49 -19.903 12.116 -22.782 407 H VAL 50 H VAL 50 -19.095 9.728 -20.844 408 HA VAL 50 HA VAL 50 -19.146 9.099 -17.918 409 HB VAL 50 HB VAL 50 -18.506 7.168 -20.168 410 1HG1 VAL 50 1HG1 VAL 50 -18.733 6.912 -17.161 411 2HG1 VAL 50 3HG1 VAL 50 -18.764 5.519 -18.241 412 3HG1 VAL 50 2HG1 VAL 50 -17.334 6.548 -18.171 413 1HG2 VAL 50 1HG2 VAL 50 -21.031 8.045 -19.060 414 2HG2 VAL 50 3HG2 VAL 50 -20.737 6.897 -20.366 415 3HG2 VAL 50 2HG2 VAL 50 -20.769 6.340 -18.693 416 OH TYR 51 OH TYR 51 -9.422 11.725 -16.332 417 H TYR 51 H TYR 51 -17.108 8.827 -16.937 418 HA TYR 51 HA TYR 51 -14.672 8.905 -18.565 419 1HB TYR 51 2HB TYR 51 -15.121 11.266 -18.553 420 2HB TYR 51 1HB TYR 51 -15.514 11.243 -16.834 421 HD1 TYR 51 HD1 TYR 51 -12.696 10.005 -18.993 422 HD2 TYR 51 HD2 TYR 51 -13.877 12.157 -15.468 423 HE1 TYR 51 HE1 TYR 51 -10.313 10.404 -18.438 424 HE2 TYR 51 HE2 TYR 51 -11.492 12.556 -14.913 425 HH TYR 51 HH TYR 51 -9.354 11.847 -15.381 426 H ALA 52 H ALA 52 -14.629 6.840 -17.321 427 HA ALA 52 HA ALA 52 -14.298 6.983 -14.420 428 1HB ALA 52 2HB ALA 52 -15.003 4.983 -16.175 429 2HB ALA 52 1HB ALA 52 -13.337 4.561 -15.785 430 3HB ALA 52 3HB ALA 52 -14.527 4.726 -14.495 431 H GLU 53 H GLU 53 -12.325 6.439 -13.311 432 HA GLU 53 HA GLU 53 -9.842 6.752 -14.944 433 1HB GLU 53 2HB GLU 53 -10.881 8.530 -12.885 434 2HB GLU 53 1HB GLU 53 -9.285 7.911 -12.460 435 1HG GLU 53 2HG GLU 53 -8.936 8.485 -15.110 436 2HG GLU 53 1HG GLU 53 -10.071 9.748 -14.634 437 H GLU 54 H GLU 54 -7.921 5.933 -13.801 438 HA GLU 54 HA GLU 54 -8.611 3.817 -11.801 439 1HB GLU 54 2HB GLU 54 -8.027 2.969 -14.142 440 2HB GLU 54 1HB GLU 54 -6.405 3.606 -13.868 441 1HG GLU 54 2HG GLU 54 -5.941 1.624 -12.884 442 2HG GLU 54 1HG GLU 54 -6.943 2.179 -11.543 443 H VAL 55 H VAL 55 -7.611 4.289 -9.898 444 HA VAL 55 HA VAL 55 -4.895 5.494 -10.030 445 HB VAL 55 HB VAL 55 -6.627 6.565 -7.883 446 1HG1 VAL 55 1HG1 VAL 55 -4.180 7.144 -9.004 447 2HG1 VAL 55 3HG1 VAL 55 -5.224 8.349 -9.759 448 3HG1 VAL 55 2HG1 VAL 55 -5.113 8.256 -8.002 449 1HG2 VAL 55 2HG2 VAL 55 -7.050 7.345 -10.789 450 2HG2 VAL 55 1HG2 VAL 55 -8.237 6.549 -9.757 451 3HG2 VAL 55 3HG2 VAL 55 -7.720 8.198 -9.399 452 H LYS 56 H LYS 56 -3.830 3.741 -9.198 453 HA LYS 56 HA LYS 56 -4.310 3.123 -6.360 454 1HB LYS 56 2HB LYS 56 -5.770 1.492 -7.284 455 2HB LYS 56 1HB LYS 56 -4.654 1.129 -8.601 456 1HG LYS 56 2HG LYS 56 -3.589 0.726 -5.859 457 2HG LYS 56 1HG LYS 56 -4.848 -0.398 -6.368 458 1HD LYS 56 2HD LYS 56 -2.520 0.223 -8.174 459 2HD LYS 56 1HD LYS 56 -2.380 -1.000 -6.910 460 1HE LYS 56 2HE LYS 56 -3.290 -2.436 -8.403 461 2HE LYS 56 1HE LYS 56 -4.812 -1.600 -8.100 462 1HZ LYS 56 1HZ LYS 56 -3.350 -0.057 -9.896 463 2HZ LYS 56 3HZ LYS 56 -3.286 -1.656 -10.459 464 3HZ LYS 56 2HZ LYS 56 -4.789 -0.912 -10.185 465 HA PRO 57 HA PRO 57 0.105 2.960 -6.829 466 1HB PRO 57 2HB PRO 57 0.660 2.391 -4.196 467 2HB PRO 57 1HB PRO 57 0.243 4.009 -4.787 468 1HG PRO 57 2HG PRO 57 -1.435 2.084 -3.242 469 2HG PRO 57 1HG PRO 57 -1.517 3.852 -3.296 470 1HD PRO 57 2HD PRO 57 -3.242 2.083 -4.659 471 2HD PRO 57 1HD PRO 57 -3.074 3.821 -4.978 472 H PHE 58 H PHE 58 1.654 1.330 -7.082 473 HA PHE 58 HA PHE 58 0.671 -1.445 -6.910 474 1HB PHE 58 2HB PHE 58 2.187 -1.876 -8.582 475 2HB PHE 58 1HB PHE 58 2.174 -0.130 -8.766 476 HD1 PHE 58 HD1 PHE 58 3.821 1.178 -7.140 477 HD2 PHE 58 HD2 PHE 58 4.250 -2.942 -8.278 478 HE1 PHE 58 HE1 PHE 58 6.232 1.272 -6.568 479 HE2 PHE 58 HE2 PHE 58 6.662 -2.847 -7.707 480 HZ PHE 58 HZ PHE 58 7.653 -0.741 -6.852 481 HA PRO 59 HA PRO 59 2.522 -3.164 -7.402 482 1HB PRO 59 2HB PRO 59 2.680 -5.593 -6.136 483 2HB PRO 59 1HB PRO 59 4.097 -4.654 -6.637 484 1HG PRO 59 2HG PRO 59 2.971 -5.040 -3.902 485 2HG PRO 59 1HG PRO 59 4.640 -4.702 -4.391 486 1HD PRO 59 2HD PRO 59 2.820 -2.814 -3.343 487 2HD PRO 59 1HD PRO 59 4.345 -2.438 -4.170 488 H SER 60 H SER 60 0.985 -5.227 -7.727 489 HA SER 60 HA SER 60 -1.650 -4.421 -6.661 490 1HB SER 60 2HB SER 60 -0.774 -6.352 -8.815 491 2HB SER 60 1HB SER 60 -2.447 -6.240 -8.277 492 HG SER 60 HG SER 60 -2.594 -4.258 -9.106 493 H ASN 61 H ASN 61 -3.150 -6.391 -6.115 494 HA ASN 61 HA ASN 61 -1.630 -8.496 -4.660 495 1HB ASN 61 2HB ASN 61 -3.072 -8.198 -2.676 496 2HB ASN 61 1HB ASN 61 -2.158 -6.728 -3.018 497 1HD2 ASN 61 1HD2 ASN 61 -3.810 -5.368 -1.993 498 2HD2 ASN 61 2HD2 ASN 61 -5.307 -5.093 -2.746 499 H LYS 62 H LYS 62 -3.356 -8.348 -7.135 500 HA LYS 62 HA LYS 62 -5.800 -9.788 -6.407 501 1HB LYS 62 2HB LYS 62 -5.235 -8.229 -8.516 502 2HB LYS 62 1HB LYS 62 -4.800 -9.787 -9.218 503 1HG LYS 62 2HG LYS 62 -7.230 -10.214 -7.845 504 2HG LYS 62 1HG LYS 62 -7.431 -8.698 -8.725 505 1HD LYS 62 2HD LYS 62 -6.237 -10.147 -10.655 506 2HD LYS 62 1HD LYS 62 -7.023 -11.456 -9.769 507 1HE LYS 62 2HE LYS 62 -8.842 -9.231 -10.053 508 2HE LYS 62 1HE LYS 62 -8.220 -9.704 -11.633 509 1HZ LYS 62 2HZ LYS 62 -8.722 -12.069 -10.381 510 2HZ LYS 62 1HZ LYS 62 -10.025 -11.091 -9.900 511 3HZ LYS 62 3HZ LYS 62 -9.711 -11.332 -11.549 512 H LYS 63 H LYS 63 -6.221 -12.003 -6.951 513 HA LYS 63 HA LYS 63 -3.963 -13.760 -6.545 514 1HB LYS 63 2HB LYS 63 -6.887 -14.028 -6.850 515 2HB LYS 63 1HB LYS 63 -5.958 -15.410 -7.435 516 1HG LYS 63 2HG LYS 63 -4.858 -14.504 -4.930 517 2HG LYS 63 1HG LYS 63 -6.590 -14.781 -4.747 518 1HD LYS 63 2HD LYS 63 -6.074 -16.971 -4.537 519 2HD LYS 63 1HD LYS 63 -5.756 -16.946 -6.271 520 1HE LYS 63 2HE LYS 63 -3.507 -15.881 -4.760 521 2HE LYS 63 1HE LYS 63 -3.902 -17.526 -4.261 522 1HZ LYS 63 3HZ LYS 63 -4.096 -17.615 -6.967 523 2HZ LYS 63 2HZ LYS 63 -2.766 -16.587 -6.720 524 3HZ LYS 63 1HZ LYS 63 -2.770 -18.150 -6.055 525 H THR 64 H THR 64 -2.487 -13.540 -8.257 526 HA THR 64 HA THR 64 -3.458 -13.863 -11.031 527 HB THR 64 HB THR 64 -1.701 -12.213 -10.661 528 HG1 THR 64 HG1 THR 64 0.031 -13.480 -11.906 529 1HG2 THR 64 2HG2 THR 64 -0.750 -14.178 -8.829 530 2HG2 THR 64 1HG2 THR 64 0.518 -13.903 -10.024 531 3HG2 THR 64 3HG2 THR 64 -0.128 -12.550 -9.095 532 H THR 65 H THR 65 -2.431 -15.545 -12.423 533 HA THR 65 HA THR 65 -1.621 -17.954 -10.847 534 HB THR 65 HB THR 65 -2.836 -18.932 -13.152 535 HG1 THR 65 HG1 THR 65 -4.472 -17.694 -13.605 536 1HG2 THR 65 1HG2 THR 65 -2.922 -19.672 -10.693 537 2HG2 THR 65 3HG2 THR 65 -4.265 -18.542 -10.522 538 3HG2 THR 65 2HG2 THR 65 -4.391 -19.899 -11.642 539 H ALA 66 HN ALA 66 -0.949 -19.659 -12.848 540 HA ALA 66 HA ALA 66 0.791 -18.210 -14.757 541 1HB ALA 66 3HB ALA 66 1.763 -20.047 -12.565 542 2HB ALA 66 2HB ALA 66 2.694 -19.805 -14.045 543 3HB ALA 66 1HB ALA 66 2.351 -18.437 -12.986 544 1H MET 1 2H MET 1 17.140 15.444 -7.138 545 2H MET 1 1H MET 1 17.956 16.033 -8.508 546 3H MET 1 3H MET 1 18.094 16.845 -7.026 547 HA MET 1 HA MET 1 16.132 17.896 -7.230 548 1HB MET 1 2HB MET 1 17.520 17.660 -9.650 549 2HB MET 1 1HB MET 1 15.836 17.350 -10.076 550 1HG MET 1 2HG MET 1 15.295 19.439 -8.649 551 2HG MET 1 1HG MET 1 17.017 19.799 -8.771 552 1HE MET 1 1HE MET 1 14.277 18.256 -10.635 553 2HE MET 1 3HE MET 1 13.538 19.821 -11.003 554 3HE MET 1 2HE MET 1 14.303 18.882 -12.282 555 H GLU 2 H GLU 2 13.895 17.750 -8.686 556 HA GLU 2 HA GLU 2 12.582 15.365 -7.646 557 1HB GLU 2 2HB GLU 2 11.548 17.562 -9.468 558 2HB GLU 2 1HB GLU 2 10.551 16.340 -8.678 559 1HG GLU 2 2HG GLU 2 10.572 17.460 -6.716 560 2HG GLU 2 1HG GLU 2 12.320 17.683 -6.787 561 H GLN 3 H GLN 3 13.474 13.582 -8.758 562 HA GLN 3 HA GLN 3 13.420 13.576 -11.711 563 1HB GLN 3 2HB GLN 3 14.416 11.629 -9.626 564 2HB GLN 3 1HB GLN 3 14.348 11.211 -11.338 565 1HG GLN 3 2HG GLN 3 15.803 13.085 -11.898 566 2HG GLN 3 1HG GLN 3 15.799 13.627 -10.219 567 1HE2 GLN 3 2HE2 GLN 3 18.791 11.362 -11.050 568 2HE2 GLN 3 1HE2 GLN 3 18.108 12.637 -11.939 569 NH1 ARG 4 NH1 ARG 4 8.411 14.697 -8.555 570 NH2 ARG 4 NH2 ARG 4 6.178 15.029 -8.666 571 H ARG 4 H ARG 4 11.572 12.993 -12.734 572 HA ARG 4 HA ARG 4 9.763 11.036 -11.369 573 1HB ARG 4 2HB ARG 4 9.145 13.246 -13.352 574 2HB ARG 4 1HB ARG 4 7.975 12.022 -12.856 575 1HG ARG 4 2HG ARG 4 9.393 13.971 -11.013 576 2HG ARG 4 1HG ARG 4 7.701 14.056 -11.505 577 1HD ARG 4 2HD ARG 4 7.794 11.510 -10.573 578 2HD ARG 4 1HD ARG 4 9.008 12.262 -9.538 579 HE ARG 4 HE ARG 4 6.235 12.567 -9.171 580 1HH1 ARG 4 1HH1 ARG 4 8.530 15.618 -8.182 581 2HH1 ARG 4 2HH1 ARG 4 9.208 14.109 -8.698 582 1HH2 ARG 4 1HH2 ARG 4 5.263 14.697 -8.896 583 2HH2 ARG 4 2HH2 ARG 4 6.296 15.950 -8.293 584 H ILE 5 H ILE 5 9.799 9.049 -12.328 585 HA ILE 5 HA ILE 5 9.975 8.895 -15.282 586 HB ILE 5 HB ILE 5 11.861 7.422 -13.422 587 1HG1 ILE 5 2HG1 ILE 5 13.430 8.751 -15.187 588 2HG1 ILE 5 1HG1 ILE 5 12.077 9.876 -15.081 589 1HG2 ILE 5 2HG2 ILE 5 10.915 6.299 -15.598 590 2HG2 ILE 5 1HG2 ILE 5 12.005 7.413 -16.423 591 3HG2 ILE 5 3HG2 ILE 5 12.646 6.237 -15.275 592 1HD1 ILE 5 3HD1 ILE 5 12.302 9.565 -12.511 593 2HD1 ILE 5 2HD1 ILE 5 13.898 8.912 -12.882 594 3HD1 ILE 5 1HD1 ILE 5 13.497 10.570 -13.332 595 H THR 6 H THR 6 9.041 6.966 -16.106 596 HA THR 6 HA THR 6 7.091 5.707 -14.371 597 HB THR 6 HB THR 6 7.998 4.787 -17.115 598 HG1 THR 6 HG1 THR 6 5.746 6.366 -16.780 599 1HG2 THR 6 1HG2 THR 6 6.451 3.383 -15.550 600 2HG2 THR 6 3HG2 THR 6 5.233 4.595 -15.947 601 3HG2 THR 6 2HG2 THR 6 5.965 3.628 -17.227 602 H LEU 7 H LEU 7 7.176 3.641 -13.449 603 HA LEU 7 HA LEU 7 9.639 2.582 -12.620 604 1HB LEU 7 2HB LEU 7 7.700 1.869 -11.447 605 2HB LEU 7 1HB LEU 7 6.908 1.325 -12.925 606 HG LEU 7 HG LEU 7 8.664 -0.432 -13.173 607 1HD1 LEU 7 2HD1 LEU 7 9.843 1.106 -11.014 608 2HD1 LEU 7 1HD1 LEU 7 9.670 -0.587 -10.554 609 3HD1 LEU 7 3HD1 LEU 7 10.570 -0.157 -12.007 610 1HD2 LEU 7 3HD2 LEU 7 6.571 -0.275 -11.191 611 2HD2 LEU 7 2HD2 LEU 7 7.105 -1.674 -12.120 612 3HD2 LEU 7 1HD2 LEU 7 7.884 -1.285 -10.586 613 H LYS 8 H LYS 8 8.094 2.299 -15.701 614 HA LYS 8 HA LYS 8 9.537 -0.132 -16.462 615 1HB LYS 8 2HB LYS 8 8.311 -0.065 -18.436 616 2HB LYS 8 1HB LYS 8 7.230 0.798 -17.346 617 1HG LYS 8 2HG LYS 8 7.289 2.232 -19.189 618 2HG LYS 8 1HG LYS 8 8.547 2.920 -18.162 619 1HD LYS 8 2HD LYS 8 9.853 2.734 -20.018 620 2HD LYS 8 1HD LYS 8 9.967 1.036 -19.553 621 1HE LYS 8 2HE LYS 8 9.295 1.354 -21.946 622 2HE LYS 8 1HE LYS 8 8.102 0.462 -21.002 623 1HZ LYS 8 3HZ LYS 8 7.725 3.308 -20.930 624 2HZ LYS 8 2HZ LYS 8 7.593 2.658 -22.495 625 3HZ LYS 8 1HZ LYS 8 6.603 2.075 -21.243 626 H ASP 9 H ASP 9 9.886 3.347 -16.939 627 HA ASP 9 HA ASP 9 12.120 3.084 -18.790 628 1HB ASP 9 2HB ASP 9 10.473 5.199 -17.765 629 2HB ASP 9 1HB ASP 9 12.164 5.625 -17.505 630 OH TYR 10 OH TYR 10 16.881 2.224 -9.108 631 H TYR 10 H TYR 10 11.734 3.306 -15.315 632 HA TYR 10 HA TYR 10 14.558 3.900 -14.847 633 1HB TYR 10 2HB TYR 10 13.033 4.705 -13.189 634 2HB TYR 10 1HB TYR 10 12.261 3.126 -13.035 635 HD1 TYR 10 HD2 TYR 10 15.915 3.824 -13.265 636 HD2 TYR 10 HD1 TYR 10 12.649 2.621 -10.749 637 HE1 TYR 10 HE2 TYR 10 17.520 3.207 -11.477 638 HE2 TYR 10 HE1 TYR 10 14.253 2.004 -8.962 639 HH TYR 10 HH TYR 10 17.757 2.498 -9.389 640 H ALA 11 H ALA 11 12.510 1.038 -14.968 641 HA ALA 11 HA ALA 11 14.662 -0.683 -13.936 642 1HB ALA 11 3HB ALA 11 11.948 -1.367 -15.106 643 2HB ALA 11 2HB ALA 11 13.045 -2.518 -14.344 644 3HB ALA 11 1HB ALA 11 12.327 -1.220 -13.389 645 H MET 12 H MET 12 13.355 0.308 -17.035 646 HA MET 12 HA MET 12 14.873 -1.790 -18.456 647 1HB MET 12 2HB MET 12 13.089 0.456 -19.433 648 2HB MET 12 1HB MET 12 13.892 -0.701 -20.496 649 1HG MET 12 2HG MET 12 12.605 -2.188 -18.436 650 2HG MET 12 1HG MET 12 11.435 -1.024 -19.059 651 1HE MET 12 3HE MET 12 10.332 -1.011 -21.021 652 2HE MET 12 2HE MET 12 10.165 -2.384 -22.110 653 3HE MET 12 1HE MET 12 9.758 -2.567 -20.407 654 NH1 ARG 13 NH1 ARG 13 13.194 3.889 -22.413 655 NH2 ARG 13 NH2 ARG 13 13.644 6.041 -22.939 656 H ARG 13 H ARG 13 15.063 1.668 -17.797 657 HA ARG 13 HA ARG 13 17.362 1.960 -19.626 658 1HB ARG 13 2HB ARG 13 16.106 3.979 -17.744 659 2HB ARG 13 1HB ARG 13 17.294 4.328 -19.000 660 1HG ARG 13 2HG ARG 13 15.343 2.935 -20.379 661 2HG ARG 13 1HG ARG 13 14.402 3.901 -19.242 662 1HD ARG 13 2HD ARG 13 14.950 5.858 -20.261 663 2HD ARG 13 1HD ARG 13 16.618 5.356 -20.538 664 HE ARG 13 HE ARG 13 15.952 4.420 -22.634 665 1HH1 ARG 13 2HH1 ARG 13 13.489 3.008 -22.045 666 2HH1 ARG 13 1HH1 ARG 13 12.258 4.003 -22.745 667 1HH2 ARG 13 1HH2 ARG 13 14.284 6.808 -22.973 668 2HH2 ARG 13 2HH2 ARG 13 12.707 6.155 -23.270 669 H PHE 14 H PHE 14 16.724 1.692 -16.168 670 HA PHE 14 HA PHE 14 19.651 2.033 -15.680 671 1HB PHE 14 2HB PHE 14 17.380 2.085 -13.672 672 2HB PHE 14 1HB PHE 14 19.074 2.446 -13.343 673 HD1 PHE 14 HD2 PHE 14 16.358 3.476 -15.728 674 HD2 PHE 14 HD1 PHE 14 19.728 4.677 -13.352 675 HE1 PHE 14 HE2 PHE 14 15.994 5.834 -16.406 676 HE2 PHE 14 HE1 PHE 14 19.364 7.035 -14.028 677 HZ PHE 14 HZ PHE 14 17.498 7.614 -15.554 678 H GLY 15 H GLY 15 16.894 -0.106 -15.065 679 1HA GLY 15 2HA GLY 15 17.796 -2.560 -15.398 680 2HA GLY 15 1HA GLY 15 18.767 -2.150 -13.982 681 H GLN 16 H GLN 16 16.386 -4.051 -14.521 682 HA GLN 16 HA GLN 16 14.296 -3.034 -12.747 683 1HB GLN 16 2HB GLN 16 14.669 -5.901 -13.639 684 2HB GLN 16 1HB GLN 16 13.171 -5.093 -13.177 685 1HG GLN 16 2HG GLN 16 12.880 -4.209 -15.243 686 2HG GLN 16 1HG GLN 16 14.579 -3.757 -15.381 687 1HE2 GLN 16 2HE2 GLN 16 13.768 -6.524 -17.830 688 2HE2 GLN 16 1HE2 GLN 16 13.068 -5.007 -17.532 689 H THR 17 H THR 17 17.244 -4.814 -12.414 690 HA THR 17 HA THR 17 16.627 -6.194 -9.964 691 HB THR 17 HB THR 17 19.420 -5.305 -10.389 692 HG1 THR 17 HG1 THR 17 18.520 -7.246 -12.153 693 1HG2 THR 17 3HG2 THR 17 17.910 -7.593 -9.400 694 2HG2 THR 17 2HG2 THR 17 19.215 -8.081 -10.481 695 3HG2 THR 17 1HG2 THR 17 19.572 -7.114 -9.050 696 H LYS 18 H LYS 18 18.321 -3.103 -10.605 697 HA LYS 18 HA LYS 18 18.547 -2.460 -7.788 698 1HB LYS 18 2HB LYS 18 19.230 -0.226 -8.581 699 2HB LYS 18 1HB LYS 18 20.074 -1.492 -9.473 700 1HG LYS 18 2HG LYS 18 17.821 -1.171 -10.999 701 2HG LYS 18 1HG LYS 18 18.093 0.476 -10.426 702 1HD LYS 18 2HD LYS 18 20.371 -1.158 -11.529 703 2HD LYS 18 1HD LYS 18 19.291 -0.275 -12.609 704 1HE LYS 18 2HE LYS 18 20.809 1.406 -12.240 705 2HE LYS 18 1HE LYS 18 19.796 1.676 -10.821 706 1HZ LYS 18 2HZ LYS 18 21.461 -0.232 -9.950 707 2HZ LYS 18 1HZ LYS 18 22.483 0.629 -10.999 708 3HZ LYS 18 3HZ LYS 18 21.714 1.432 -9.719 709 H THR 19 H THR 19 16.104 -1.990 -10.242 710 HA THR 19 HA THR 19 14.652 0.100 -8.868 711 HB THR 19 HB THR 19 13.624 -1.949 -10.858 712 HG1 THR 19 HG1 THR 19 13.975 -0.086 -12.283 713 1HG2 THR 19 1HG2 THR 19 12.468 0.412 -9.502 714 2HG2 THR 19 3HG2 THR 19 12.204 0.342 -11.244 715 3HG2 THR 19 2HG2 THR 19 11.662 -0.985 -10.216 716 H ALA 20 H ALA 20 14.561 -3.438 -8.808 717 HA ALA 20 HA ALA 20 12.216 -3.509 -7.063 718 1HB ALA 20 1HB ALA 20 13.089 -5.339 -8.730 719 2HB ALA 20 3HB ALA 20 14.132 -5.804 -7.386 720 3HB ALA 20 2HB ALA 20 12.379 -5.839 -7.196 721 H LYS 21 H LYS 21 15.629 -3.161 -6.667 722 HA LYS 21 HA LYS 21 15.727 -4.157 -3.929 723 1HB LYS 21 2HB LYS 21 17.604 -3.303 -5.898 724 2HB LYS 21 1HB LYS 21 17.845 -2.305 -4.463 725 1HG LYS 21 2HG LYS 21 17.866 -4.422 -3.093 726 2HG LYS 21 1HG LYS 21 17.856 -5.331 -4.603 727 1HD LYS 21 2HD LYS 21 19.945 -4.250 -5.298 728 2HD LYS 21 1HD LYS 21 19.951 -3.282 -3.823 729 1HE LYS 21 2HE LYS 21 20.099 -5.331 -2.466 730 2HE LYS 21 1HE LYS 21 20.070 -6.311 -3.931 731 1HZ LYS 21 2HZ LYS 21 22.087 -5.053 -4.647 732 2HZ LYS 21 1HZ LYS 21 22.158 -4.382 -3.088 733 3HZ LYS 21 3HZ LYS 21 22.321 -6.058 -3.298 734 H ASP 22 H ASP 22 15.463 -0.989 -5.489 735 HA ASP 22 HA ASP 22 15.466 0.450 -2.949 736 1HB ASP 22 2HB ASP 22 15.935 1.192 -5.539 737 2HB ASP 22 1HB ASP 22 14.285 1.775 -5.313 738 H LEU 23 H LEU 23 13.066 -0.914 -5.116 739 HA LEU 23 HA LEU 23 10.842 0.385 -3.690 740 1HB LEU 23 2HB LEU 23 11.068 -1.502 -6.025 741 2HB LEU 23 1HB LEU 23 9.514 -1.261 -5.226 742 HG LEU 23 HG LEU 23 11.070 1.183 -5.920 743 1HD1 LEU 23 3HD1 LEU 23 9.653 -0.567 -7.950 744 2HD1 LEU 23 2HD1 LEU 23 10.077 1.122 -8.234 745 3HD1 LEU 23 1HD1 LEU 23 11.345 -0.075 -7.972 746 1HD2 LEU 23 3HD2 LEU 23 8.282 0.319 -5.442 747 2HD2 LEU 23 2HD2 LEU 23 9.056 1.864 -5.090 748 3HD2 LEU 23 1HD2 LEU 23 8.477 1.519 -6.719 749 H GLY 24 H GLY 24 12.704 -2.500 -3.460 750 1HA GLY 24 2HA GLY 24 12.614 -4.130 -1.747 751 2HA GLY 24 1HA GLY 24 11.153 -3.354 -1.133 752 H VAL 25 H VAL 25 11.292 -4.161 -4.510 753 HA VAL 25 HA VAL 25 9.326 -6.348 -3.981 754 HB VAL 25 HB VAL 25 9.484 -5.364 -6.743 755 1HG1 VAL 25 1HG1 VAL 25 7.488 -6.171 -4.703 756 2HG1 VAL 25 3HG1 VAL 25 6.931 -5.005 -5.904 757 3HG1 VAL 25 2HG1 VAL 25 7.568 -6.566 -6.420 758 1HG2 VAL 25 1HG2 VAL 25 8.587 -3.479 -4.534 759 2HG2 VAL 25 3HG2 VAL 25 9.972 -3.234 -5.598 760 3HG2 VAL 25 2HG2 VAL 25 8.338 -3.216 -6.260 761 OH TYR 26 OH TYR 26 6.460 -10.117 -2.602 762 H TYR 26 H TYR 26 9.342 -7.860 -6.135 763 HA TYR 26 HA TYR 26 12.168 -8.796 -6.332 764 1HB TYR 26 2HB TYR 26 10.179 -10.608 -7.456 765 2HB TYR 26 1HB TYR 26 11.373 -10.909 -6.197 766 HD1 TYR 26 HD1 TYR 26 10.709 -9.234 -3.996 767 HD2 TYR 26 HD2 TYR 26 8.043 -11.185 -6.742 768 HE1 TYR 26 HE1 TYR 26 8.910 -9.176 -2.290 769 HE2 TYR 26 HE2 TYR 26 6.245 -11.129 -5.035 770 HH TYR 26 HH TYR 26 6.601 -10.849 -1.999 771 H GLN 27 H GLN 27 12.707 -9.822 -8.524 772 HA GLN 27 HA GLN 27 12.240 -7.861 -10.599 773 1HB GLN 27 2HB GLN 27 13.901 -10.222 -10.209 774 2HB GLN 27 1HB GLN 27 13.222 -10.171 -11.837 775 1HG GLN 27 2HG GLN 27 13.973 -7.719 -11.906 776 2HG GLN 27 1HG GLN 27 14.924 -8.084 -10.466 777 1HE2 GLN 27 2HE2 GLN 27 16.823 -10.647 -12.420 778 2HE2 GLN 27 1HE2 GLN 27 15.832 -10.685 -11.043 779 H SER 28 H SER 28 10.387 -10.441 -9.457 780 HA SER 28 HA SER 28 9.187 -11.128 -12.053 781 1HB SER 28 2HB SER 28 9.490 -12.681 -9.974 782 2HB SER 28 1HB SER 28 8.039 -11.884 -9.373 783 HG SER 28 HG SER 28 8.289 -13.121 -11.921 784 H ALA 29 H ALA 29 8.564 -8.968 -9.371 785 HA ALA 29 HA ALA 29 5.802 -8.437 -10.261 786 1HB ALA 29 3HB ALA 29 7.485 -7.724 -7.934 787 2HB ALA 29 2HB ALA 29 6.384 -6.453 -8.467 788 3HB ALA 29 1HB ALA 29 5.752 -8.036 -8.013 789 H ILE 30 H ILE 30 9.015 -7.200 -10.618 790 HA ILE 30 HA ILE 30 8.190 -4.620 -11.718 791 HB ILE 30 HB ILE 30 10.876 -6.021 -11.862 792 1HG1 ILE 30 2HG1 ILE 30 9.869 -5.645 -9.528 793 2HG1 ILE 30 1HG1 ILE 30 11.458 -4.939 -9.819 794 1HG2 ILE 30 1HG2 ILE 30 9.834 -3.460 -12.798 795 2HG2 ILE 30 3HG2 ILE 30 11.224 -3.267 -11.731 796 3HG2 ILE 30 2HG2 ILE 30 11.358 -4.259 -13.184 797 1HD1 ILE 30 2HD1 ILE 30 8.936 -3.354 -10.298 798 2HD1 ILE 30 1HD1 ILE 30 9.669 -3.440 -8.696 799 3HD1 ILE 30 3HD1 ILE 30 10.576 -2.757 -10.046 800 H ASN 31 H ASN 31 9.097 -7.805 -12.903 801 HA ASN 31 HA ASN 31 9.185 -6.967 -15.702 802 1HB ASN 31 2HB ASN 31 9.846 -9.325 -14.182 803 2HB ASN 31 1HB ASN 31 8.794 -9.770 -15.525 804 1HD2 ASN 31 2HD2 ASN 31 12.090 -9.842 -17.082 805 2HD2 ASN 31 1HD2 ASN 31 11.104 -10.804 -16.091 806 H LYS 32 H LYS 32 6.804 -8.332 -13.487 807 HA LYS 32 HA LYS 32 4.894 -8.931 -15.611 808 1HB LYS 32 2HB LYS 32 3.423 -9.622 -13.887 809 2HB LYS 32 1HB LYS 32 5.028 -10.048 -13.292 810 1HG LYS 32 2HG LYS 32 5.113 -8.027 -11.941 811 2HG LYS 32 1HG LYS 32 3.576 -7.480 -12.609 812 1HD LYS 32 2HD LYS 32 3.541 -10.191 -11.417 813 2HD LYS 32 1HD LYS 32 3.786 -8.867 -10.276 814 1HE LYS 32 2HE LYS 32 1.497 -8.792 -10.321 815 2HE LYS 32 1HE LYS 32 1.786 -7.815 -11.761 816 1HZ LYS 32 2HZ LYS 32 1.675 -9.880 -13.078 817 2HZ LYS 32 1HZ LYS 32 1.242 -10.732 -11.673 818 3HZ LYS 32 3HZ LYS 32 0.217 -9.525 -12.281 819 H ALA 33 H ALA 33 5.637 -6.197 -13.552 820 HA ALA 33 HA ALA 33 3.139 -4.799 -14.099 821 1HB ALA 33 3HB ALA 33 5.657 -4.243 -12.640 822 2HB ALA 33 2HB ALA 33 4.836 -2.831 -13.307 823 3HB ALA 33 1HB ALA 33 3.990 -3.894 -12.181 824 H ILE 34 H ILE 34 6.425 -4.755 -15.417 825 HA ILE 34 HA ILE 34 5.812 -2.568 -17.262 826 HB ILE 34 HB ILE 34 8.167 -4.452 -16.989 827 1HG1 ILE 34 2HG1 ILE 34 7.927 -1.455 -16.580 828 2HG1 ILE 34 1HG1 ILE 34 7.813 -2.638 -15.276 829 1HG2 ILE 34 2HG2 ILE 34 7.542 -2.337 -19.047 830 2HG2 ILE 34 1HG2 ILE 34 9.210 -2.720 -18.621 831 3HG2 ILE 34 3HG2 ILE 34 8.165 -3.968 -19.298 832 1HD1 ILE 34 1HD1 ILE 34 10.083 -3.503 -16.008 833 2HD1 ILE 34 3HD1 ILE 34 10.192 -2.098 -17.070 834 3HD1 ILE 34 2HD1 ILE 34 10.093 -1.878 -15.323 835 H HIS 35 H HIS 35 5.885 -6.081 -17.346 836 HA HIS 35 HA HIS 35 5.724 -6.361 -20.203 837 1HB HIS 35 2HB HIS 35 5.156 -8.130 -17.847 838 2HB HIS 35 1HB HIS 35 4.598 -8.630 -19.444 839 HD1 HIS 35 HD1 HIS 35 7.564 -6.636 -19.852 840 HD2 HIS 35 HD2 HIS 35 6.828 -10.626 -18.900 841 HE1 HIS 35 HE1 HIS 35 9.721 -7.887 -20.296 842 H ALA 36 H ALA 36 3.463 -5.280 -17.877 843 HA ALA 36 HA ALA 36 1.109 -6.072 -19.466 844 1HB ALA 36 2HB ALA 36 1.334 -4.330 -16.993 845 2HB ALA 36 1HB ALA 36 -0.172 -4.899 -17.712 846 3HB ALA 36 3HB ALA 36 0.957 -6.053 -17.003 847 H GLY 37 H GLY 37 3.296 -3.414 -19.221 848 1HA GLY 37 2HA GLY 37 3.378 -1.392 -20.416 849 2HA GLY 37 1HA GLY 37 2.135 -2.066 -21.471 850 NH1 ARG 38 NH2 ARG 38 -2.770 -3.721 -13.473 851 NH2 ARG 38 NH1 ARG 38 -2.996 -4.755 -15.470 852 H ARG 38 H ARG 38 1.789 -1.642 -17.983 853 HA ARG 38 HA ARG 38 -0.630 -0.026 -18.459 854 1HB ARG 38 2HB ARG 38 0.048 -1.908 -16.561 855 2HB ARG 38 1HB ARG 38 0.257 -0.395 -15.679 856 1HG ARG 38 2HG ARG 38 -2.019 0.308 -16.369 857 2HG ARG 38 1HG ARG 38 -2.228 -1.236 -17.198 858 1HD ARG 38 2HD ARG 38 -1.313 -1.774 -14.542 859 2HD ARG 38 1HD ARG 38 -2.668 -0.649 -14.438 860 HE ARG 38 HE ARG 38 -3.869 -2.367 -15.966 861 1HH1 ARG 38 1HH2 ARG 38 -2.747 -2.881 -12.930 862 2HH1 ARG 38 2HH2 ARG 38 -2.646 -4.608 -13.028 863 1HH2 ARG 38 2HH1 ARG 38 -3.145 -4.709 -16.458 864 2HH2 ARG 38 1HH1 ARG 38 -2.870 -5.641 -15.024 865 H LYS 39 H LYS 39 -0.907 1.936 -16.927 866 HA LYS 39 HA LYS 39 1.416 3.705 -17.334 867 1HB LYS 39 2HB LYS 39 -1.281 4.329 -16.095 868 2HB LYS 39 1HB LYS 39 -0.090 5.497 -16.668 869 1HG LYS 39 2HG LYS 39 -1.180 3.402 -18.533 870 2HG LYS 39 1HG LYS 39 -2.082 4.888 -18.235 871 1HD LYS 39 2HD LYS 39 -0.787 5.884 -19.787 872 2HD LYS 39 1HD LYS 39 0.563 5.723 -18.663 873 1HE LYS 39 2HE LYS 39 -0.053 3.245 -20.118 874 2HE LYS 39 1HE LYS 39 0.451 4.570 -21.165 875 1HZ LYS 39 3HZ LYS 39 2.166 4.721 -19.064 876 2HZ LYS 39 2HZ LYS 39 1.984 3.045 -19.283 877 3HZ LYS 39 1HZ LYS 39 2.510 4.022 -20.571 878 H ILE 40 H ILE 40 2.671 2.371 -15.775 879 HA ILE 40 HA ILE 40 2.019 3.000 -12.938 880 HB ILE 40 HB ILE 40 4.265 1.224 -13.919 881 1HG1 ILE 40 2HG1 ILE 40 1.570 0.175 -13.078 882 2HG1 ILE 40 1HG1 ILE 40 1.853 0.636 -14.756 883 1HG2 ILE 40 2HG2 ILE 40 3.187 2.050 -11.355 884 2HG2 ILE 40 1HG2 ILE 40 3.112 0.297 -11.528 885 3HG2 ILE 40 3HG2 ILE 40 4.654 1.134 -11.702 886 1HD1 ILE 40 2HD1 ILE 40 3.961 -0.838 -14.625 887 2HD1 ILE 40 1HD1 ILE 40 3.264 -1.490 -13.142 888 3HD1 ILE 40 3HD1 ILE 40 2.406 -1.670 -14.672 889 H PHE 41 H PHE 41 2.691 5.114 -12.744 890 HA PHE 41 HA PHE 41 5.265 5.963 -13.841 891 1HB PHE 41 2HB PHE 41 3.497 7.478 -11.910 892 2HB PHE 41 1HB PHE 41 4.649 8.138 -13.074 893 HD1 PHE 41 HD1 PHE 41 3.747 5.881 -15.194 894 HD2 PHE 41 HD2 PHE 41 1.701 8.909 -12.931 895 HE1 PHE 41 HE1 PHE 41 1.976 5.981 -16.921 896 HE2 PHE 41 HE2 PHE 41 -0.067 9.006 -14.661 897 HZ PHE 41 HZ PHE 41 0.068 7.541 -16.656 898 H LEU 42 H LEU 42 6.956 6.921 -12.399 899 HA LEU 42 HA LEU 42 6.978 5.656 -9.694 900 1HB LEU 42 2HB LEU 42 8.253 4.442 -11.667 901 2HB LEU 42 1HB LEU 42 9.466 5.685 -11.362 902 HG LEU 42 HG LEU 42 9.102 4.952 -8.840 903 1HD1 LEU 42 3HD1 LEU 42 7.383 3.188 -10.084 904 2HD1 LEU 42 2HD1 LEU 42 8.846 2.223 -9.896 905 3HD1 LEU 42 1HD1 LEU 42 8.088 2.957 -8.484 906 1HD2 LEU 42 3HD2 LEU 42 10.967 4.420 -10.871 907 2HD2 LEU 42 2HD2 LEU 42 11.214 4.211 -9.137 908 3HD2 LEU 42 1HD2 LEU 42 10.656 2.855 -10.119 909 H THR 43 H THR 43 7.099 7.419 -8.357 910 HA THR 43 HA THR 43 8.606 9.815 -9.175 911 HB THR 43 HB THR 43 7.022 9.093 -6.695 912 HG1 THR 43 HG1 THR 43 5.595 9.776 -8.097 913 1HG2 THR 43 2HG2 THR 43 9.066 11.153 -7.108 914 2HG2 THR 43 1HG2 THR 43 7.515 11.808 -6.582 915 3HG2 THR 43 3HG2 THR 43 8.332 10.584 -5.609 916 H ILE 44 H ILE 44 10.629 10.396 -8.309 917 HA ILE 44 HA ILE 44 11.815 8.453 -6.373 918 HB ILE 44 HB ILE 44 13.506 9.773 -8.472 919 1HG1 ILE 44 2HG1 ILE 44 12.135 7.107 -8.892 920 2HG1 ILE 44 1HG1 ILE 44 11.476 8.611 -9.536 921 1HG2 ILE 44 3HG2 ILE 44 14.162 8.252 -6.366 922 2HG2 ILE 44 2HG2 ILE 44 13.811 6.961 -7.515 923 3HG2 ILE 44 1HG2 ILE 44 15.049 8.162 -7.888 924 1HD1 ILE 44 1HD1 ILE 44 13.680 9.020 -10.668 925 2HD1 ILE 44 3HD1 ILE 44 14.196 7.419 -10.138 926 3HD1 ILE 44 2HD1 ILE 44 12.842 7.584 -11.257 927 H ASN 45 H ASN 45 12.176 9.582 -4.517 928 HA ASN 45 HA ASN 45 12.763 12.476 -4.676 929 1HB ASN 45 2HB ASN 45 11.420 10.867 -2.808 930 2HB ASN 45 1HB ASN 45 12.908 11.368 -2.004 931 1HD2 ASN 45 2HD2 ASN 45 10.380 14.073 -1.479 932 2HD2 ASN 45 1HD2 ASN 45 10.482 12.430 -1.060 933 H ALA 46 H ALA 46 14.646 13.377 -3.681 934 HA ALA 46 HA ALA 46 17.099 12.181 -4.338 935 1HB ALA 46 2HB ALA 46 16.540 14.220 -2.164 936 2HB ALA 46 1HB ALA 46 18.133 13.859 -2.829 937 3HB ALA 46 3HB ALA 46 16.890 14.573 -3.856 938 H ASP 47 H ASP 47 15.067 11.498 -1.636 939 HA ASP 47 HA ASP 47 17.260 10.318 -0.051 940 1HB ASP 47 2HB ASP 47 14.255 10.327 0.385 941 2HB ASP 47 1HB ASP 47 15.446 9.716 1.534 942 H GLY 48 H GLY 48 16.787 9.232 -2.710 943 1HA GLY 48 2HA GLY 48 16.434 7.167 -3.778 944 2HA GLY 48 1HA GLY 48 16.934 6.470 -2.233 945 H SER 49 H SER 49 14.127 8.544 -2.725 946 HA SER 49 HA SER 49 12.424 6.431 -1.547 947 1HB SER 49 2HB SER 49 12.192 9.367 -2.013 948 2HB SER 49 1HB SER 49 10.696 8.439 -1.975 949 HG SER 49 HG SER 49 11.807 9.318 0.083 950 H VAL 50 H VAL 50 10.760 5.396 -2.672 951 HA VAL 50 HA VAL 50 10.488 6.111 -5.562 952 HB VAL 50 HB VAL 50 10.195 3.268 -4.649 953 1HG1 VAL 50 3HG1 VAL 50 10.620 4.803 -7.160 954 2HG1 VAL 50 2HG1 VAL 50 11.422 3.235 -7.057 955 3HG1 VAL 50 1HG1 VAL 50 9.671 3.343 -6.882 956 1HG2 VAL 50 1HG2 VAL 50 12.379 4.122 -3.750 957 2HG2 VAL 50 3HG2 VAL 50 12.574 2.871 -4.977 958 3HG2 VAL 50 2HG2 VAL 50 12.835 4.564 -5.395 959 OH TYR 51 OH TYR 51 0.510 7.887 -3.572 960 H TYR 51 H TYR 51 8.505 7.146 -5.363 961 HA TYR 51 HA TYR 51 6.303 5.608 -4.059 962 1HB TYR 51 2HB TYR 51 6.629 7.873 -3.161 963 2HB TYR 51 1HB TYR 51 6.484 8.551 -4.783 964 HD1 TYR 51 HD1 TYR 51 4.528 5.761 -3.269 965 HD2 TYR 51 HD2 TYR 51 4.487 9.823 -4.665 966 HE1 TYR 51 HE1 TYR 51 2.062 5.819 -3.027 967 HE2 TYR 51 HE2 TYR 51 2.020 9.881 -4.422 968 HH TYR 51 HH TYR 51 0.307 7.954 -2.636 969 H ALA 52 H ALA 52 6.083 4.237 -5.975 970 HA ALA 52 HA ALA 52 5.389 5.482 -8.533 971 1HB ALA 52 2HB ALA 52 6.375 3.020 -7.814 972 2HB ALA 52 1HB ALA 52 4.685 2.651 -8.152 973 3HB ALA 52 3HB ALA 52 5.688 3.404 -9.391 974 H GLU 53 H GLU 53 3.315 5.467 -9.493 975 HA GLU 53 HA GLU 53 1.045 4.584 -7.792 976 1HB GLU 53 2HB GLU 53 1.793 7.342 -8.314 977 2HB GLU 53 1HB GLU 53 0.183 6.993 -8.946 978 1HG GLU 53 2HG GLU 53 -0.189 5.819 -6.638 979 2HG GLU 53 1HG GLU 53 1.182 6.797 -6.116 980 H GLU 54 H GLU 54 -0.838 4.076 -9.022 981 HA GLU 54 HA GLU 54 -0.282 3.695 -11.919 982 1HB GLU 54 2HB GLU 54 -1.069 1.767 -10.428 983 2HB GLU 54 1HB GLU 54 -2.627 2.591 -10.355 984 1HG GLU 54 2HG GLU 54 -2.782 2.533 -12.815 985 2HG GLU 54 1HG GLU 54 -1.221 1.715 -12.897 986 H VAL 55 H VAL 55 -1.251 5.032 -13.361 987 HA VAL 55 HA VAL 55 -3.801 6.349 -12.591 988 HB VAL 55 HB VAL 55 -2.253 8.263 -14.041 989 1HG1 VAL 55 1HG1 VAL 55 -3.966 8.075 -11.796 990 2HG1 VAL 55 3HG1 VAL 55 -2.489 8.852 -11.227 991 3HG1 VAL 55 2HG1 VAL 55 -3.385 9.545 -12.579 992 1HG2 VAL 55 2HG2 VAL 55 -0.274 6.981 -13.166 993 2HG2 VAL 55 1HG2 VAL 55 -0.362 8.633 -12.555 994 3HG2 VAL 55 3HG2 VAL 55 -0.854 7.286 -11.529 995 H LYS 56 H LYS 56 -4.982 5.241 -14.126 996 HA LYS 56 HA LYS 56 -4.433 5.975 -16.938 997 1HB LYS 56 2HB LYS 56 -3.341 3.877 -16.910 998 2HB LYS 56 1HB LYS 56 -4.556 3.162 -15.853 999 1HG LYS 56 2HG LYS 56 -5.812 2.533 -17.617 1000 2HG LYS 56 1HG LYS 56 -5.780 4.166 -18.284 1001 1HD LYS 56 2HD LYS 56 -4.746 2.600 -19.861 1002 2HD LYS 56 1HD LYS 56 -3.531 3.714 -19.233 1003 1HE LYS 56 2HE LYS 56 -2.325 1.909 -18.626 1004 2HE LYS 56 1HE LYS 56 -3.558 1.592 -17.405 1005 1HZ LYS 56 2HZ LYS 56 -4.791 0.530 -19.418 1006 2HZ LYS 56 1HZ LYS 56 -3.226 0.400 -20.066 1007 3HZ LYS 56 3HZ LYS 56 -3.597 -0.347 -18.588 1008 HA PRO 57 HA PRO 57 -8.839 6.407 -16.628 1009 1HB PRO 57 2HB PRO 57 -9.243 7.176 -19.235 1010 2HB PRO 57 1HB PRO 57 -8.603 8.257 -17.984 1011 1HG PRO 57 2HG PRO 57 -7.164 6.935 -20.234 1012 2HG PRO 57 1HG PRO 57 -6.765 8.429 -19.371 1013 1HD PRO 57 2HD PRO 57 -5.547 5.896 -18.979 1014 2HD PRO 57 1HD PRO 57 -5.371 7.320 -17.931 1015 H PHE 58 H PHE 58 -10.806 5.613 -17.971 1016 HA PHE 58 HA PHE 58 -10.272 2.813 -18.821 1017 1HB PHE 58 2HB PHE 58 -12.298 4.032 -17.266 1018 2HB PHE 58 1HB PHE 58 -13.071 3.528 -18.768 1019 HD1 PHE 58 HD1 PHE 58 -10.269 2.072 -16.741 1020 HD2 PHE 58 HD2 PHE 58 -14.174 1.499 -18.437 1021 HE1 PHE 58 HE1 PHE 58 -10.264 -0.281 -15.959 1022 HE2 PHE 58 HE2 PHE 58 -14.168 -0.854 -17.654 1023 HZ PHE 58 HZ PHE 58 -12.213 -1.744 -16.416 1024 HA PRO 59 HA PRO 59 -11.482 1.332 -19.771 1025 1HB PRO 59 2HB PRO 59 -10.909 -0.172 -21.998 1026 2HB PRO 59 1HB PRO 59 -12.548 0.342 -21.562 1027 1HG PRO 59 2HG PRO 59 -10.769 1.376 -23.718 1028 2HG PRO 59 1HG PRO 59 -12.537 1.392 -23.619 1029 1HD PRO 59 2HD PRO 59 -10.814 3.587 -23.103 1030 2HD PRO 59 1HD PRO 59 -12.548 3.502 -22.725 1031 H SER 60 H SER 60 -9.657 -0.637 -20.697 1032 HA SER 60 HA SER 60 -7.124 0.538 -19.793 1033 1HB SER 60 2HB SER 60 -7.686 -2.296 -20.706 1034 2HB SER 60 1HB SER 60 -6.305 -1.745 -19.762 1035 HG SER 60 HG SER 60 -7.519 -2.087 -18.089 1036 H ASN 61 H ASN 61 -5.556 -1.412 -21.452 1037 HA ASN 61 HA ASN 61 -5.528 0.235 -23.940 1038 1HB ASN 61 2HB ASN 61 -3.216 -0.424 -24.198 1039 2HB ASN 61 1HB ASN 61 -3.438 0.110 -22.531 1040 1HD2 ASN 61 2HD2 ASN 61 -2.284 -3.690 -23.258 1041 2HD2 ASN 61 1HD2 ASN 61 -2.436 -2.542 -24.500 1042 H LYS 62 H LYS 62 -4.666 -1.135 -25.900 1043 HA LYS 62 HA LYS 62 -6.537 -3.379 -26.203 1044 1HB LYS 62 2HB LYS 62 -5.392 -1.495 -27.942 1045 2HB LYS 62 1HB LYS 62 -4.672 -3.037 -28.405 1046 1HG LYS 62 2HG LYS 62 -7.045 -3.996 -28.350 1047 2HG LYS 62 1HG LYS 62 -7.606 -2.324 -28.271 1048 1HD LYS 62 2HD LYS 62 -7.263 -2.038 -30.478 1049 2HD LYS 62 1HD LYS 62 -5.604 -2.620 -30.342 1050 1HE LYS 62 2HE LYS 62 -6.188 -4.819 -30.814 1051 2HE LYS 62 1HE LYS 62 -7.841 -4.611 -30.234 1052 1HZ LYS 62 1HZ LYS 62 -8.225 -3.138 -32.167 1053 2HZ LYS 62 3HZ LYS 62 -6.687 -3.546 -32.751 1054 3HZ LYS 62 2HZ LYS 62 -7.881 -4.744 -32.598 1055 H LYS 63 H LYS 63 -5.529 -5.366 -27.457 1056 HA LYS 63 HA LYS 63 -2.812 -6.105 -27.009 1057 1HB LYS 63 2HB LYS 63 -4.162 -6.055 -24.623 1058 2HB LYS 63 1HB LYS 63 -4.392 -7.733 -25.119 1059 1HG LYS 63 2HG LYS 63 -1.738 -7.321 -25.716 1060 2HG LYS 63 1HG LYS 63 -1.940 -6.356 -24.253 1061 1HD LYS 63 2HD LYS 63 -2.152 -8.193 -22.950 1062 2HD LYS 63 1HD LYS 63 -3.276 -8.954 -24.076 1063 1HE LYS 63 2HE LYS 63 -1.310 -10.340 -24.000 1064 2HE LYS 63 1HE LYS 63 -1.286 -9.491 -25.546 1065 1HZ LYS 63 1HZ LYS 63 0.091 -8.434 -23.151 1066 2HZ LYS 63 3HZ LYS 63 0.850 -9.511 -24.220 1067 3HZ LYS 63 2HZ LYS 63 0.319 -7.996 -24.778 1068 H THR 64 H THR 64 -2.651 -8.655 -27.130 1069 HA THR 64 HA THR 64 -4.954 -9.911 -28.462 1070 HB THR 64 HB THR 64 -3.276 -10.523 -30.408 1071 HG1 THR 64 HG1 THR 64 -2.172 -8.275 -30.668 1072 1HG2 THR 64 3HG2 THR 64 -5.360 -8.679 -30.076 1073 2HG2 THR 64 2HG2 THR 64 -4.081 -7.776 -30.888 1074 3HG2 THR 64 1HG2 THR 64 -4.704 -9.261 -31.606 1075 H THR 65 H THR 65 -4.979 -11.985 -27.742 1076 HA THR 65 HA THR 65 -2.378 -13.372 -27.321 1077 HB THR 65 HB THR 65 -4.578 -13.794 -25.330 1078 HG1 THR 65 HG1 THR 65 -2.836 -11.591 -25.519 1079 1HG2 THR 65 3HG2 THR 65 -1.979 -14.757 -25.727 1080 2HG2 THR 65 2HG2 THR 65 -1.836 -13.622 -24.385 1081 3HG2 THR 65 1HG2 THR 65 -2.968 -14.971 -24.283 1082 H ALA 66 HN ALA 66 -3.010 -14.440 -29.345 1083 HA ALA 66 HA ALA 66 -4.025 -16.164 -30.575 1084 1HB ALA 66 2HB ALA 66 -3.534 -17.104 -27.899 1085 2HB ALA 66 1HB ALA 66 -5.027 -17.824 -28.501 1086 3HB ALA 66 3HB ALA 66 -3.526 -18.022 -29.407 Start of MODEL 9 Raw file had 1086 H/Q atoms Start of MODEL 9 1 1H MET 1 1H MET 1 -13.874 19.764 -15.758 2 2H MET 1 3H MET 1 -12.652 20.887 -15.405 3 3H MET 1 2H MET 1 -12.413 19.730 -16.626 4 HA MET 1 HA MET 1 -11.197 18.937 -14.805 5 1HB MET 1 2HB MET 1 -13.041 20.442 -13.338 6 2HB MET 1 1HB MET 1 -13.348 18.776 -12.848 7 1HG MET 1 2HG MET 1 -11.379 18.625 -11.741 8 2HG MET 1 1HG MET 1 -10.491 19.401 -13.054 9 1HE MET 1 1HE MET 1 -9.202 19.896 -11.193 10 2HE MET 1 3HE MET 1 -9.054 21.643 -10.957 11 3HE MET 1 2HE MET 1 -9.747 20.634 -9.689 12 H GLU 2 H GLU 2 -11.381 16.717 -13.880 13 HA GLU 2 HA GLU 2 -13.428 15.155 -15.383 14 1HB GLU 2 2HB GLU 2 -10.715 14.452 -14.250 15 2HB GLU 2 1HB GLU 2 -11.855 13.213 -14.776 16 1HG GLU 2 2HG GLU 2 -10.601 13.574 -16.719 17 2HG GLU 2 1HG GLU 2 -11.986 14.637 -16.971 18 H GLN 3 H GLN 3 -14.915 13.921 -14.281 19 HA GLN 3 HA GLN 3 -15.008 14.250 -11.345 20 1HB GLN 3 2HB GLN 3 -16.975 14.342 -13.191 21 2HB GLN 3 1HB GLN 3 -17.061 12.631 -12.766 22 1HG GLN 3 2HG GLN 3 -17.785 13.057 -10.635 23 2HG GLN 3 1HG GLN 3 -16.828 14.532 -10.495 24 1HE2 GLN 3 2HE2 GLN 3 -19.430 16.649 -11.626 25 2HE2 GLN 3 1HE2 GLN 3 -17.799 16.535 -11.171 26 NH1 ARG 4 NH1 ARG 4 -8.921 11.940 -12.448 27 NH2 ARG 4 NH2 ARG 4 -7.657 10.072 -12.612 28 H ARG 4 H ARG 4 -14.190 12.698 -10.022 29 HA ARG 4 HA ARG 4 -13.650 10.008 -11.175 30 1HB ARG 4 2HB ARG 4 -12.675 11.307 -8.611 31 2HB ARG 4 1HB ARG 4 -12.215 9.699 -9.168 32 1HG ARG 4 2HG ARG 4 -11.813 12.169 -10.864 33 2HG ARG 4 1HG ARG 4 -10.587 11.590 -9.735 34 1HD ARG 4 2HD ARG 4 -11.448 9.327 -11.201 35 2HD ARG 4 1HD ARG 4 -11.204 10.617 -12.378 36 HE ARG 4 HE ARG 4 -9.108 9.515 -10.575 37 1HH1 ARG 4 2HH1 ARG 4 -9.708 12.421 -12.065 38 2HH1 ARG 4 1HH1 ARG 4 -8.312 12.407 -13.088 39 1HH2 ARG 4 1HH2 ARG 4 -7.476 9.123 -12.354 40 2HH2 ARG 4 2HH2 ARG 4 -7.048 10.540 -13.253 41 H ILE 5 H ILE 5 -14.786 8.237 -10.490 42 HA ILE 5 HA ILE 5 -16.321 8.367 -7.952 43 HB ILE 5 HB ILE 5 -17.732 7.299 -10.368 44 1HG1 ILE 5 2HG1 ILE 5 -18.776 9.745 -10.370 45 2HG1 ILE 5 1HG1 ILE 5 -17.177 10.183 -9.775 46 1HG2 ILE 5 3HG2 ILE 5 -18.326 8.135 -7.607 47 2HG2 ILE 5 2HG2 ILE 5 -19.508 8.683 -8.794 48 3HG2 ILE 5 1HG2 ILE 5 -19.155 6.963 -8.631 49 1HD1 ILE 5 1HD1 ILE 5 -16.217 8.855 -11.721 50 2HD1 ILE 5 3HD1 ILE 5 -17.859 8.761 -12.358 51 3HD1 ILE 5 2HD1 ILE 5 -17.075 10.330 -12.169 52 H THR 6 H THR 6 -17.535 6.059 -7.875 53 HA THR 6 HA THR 6 -15.384 4.059 -8.418 54 HB THR 6 HB THR 6 -17.703 3.486 -6.609 55 HG1 THR 6 HG1 THR 6 -16.123 4.439 -4.975 56 1HG2 THR 6 3HG2 THR 6 -14.949 2.542 -7.101 57 2HG2 THR 6 2HG2 THR 6 -15.405 2.641 -5.399 58 3HG2 THR 6 1HG2 THR 6 -16.356 1.656 -6.512 59 H LEU 7 H LEU 7 -16.035 1.982 -9.307 60 HA LEU 7 HA LEU 7 -18.015 2.149 -11.365 61 1HB LEU 7 2HB LEU 7 -16.316 0.572 -11.770 62 2HB LEU 7 1HB LEU 7 -16.424 -0.101 -10.144 63 HG LEU 7 HG LEU 7 -18.656 -1.031 -10.691 64 1HD1 LEU 7 1HD1 LEU 7 -18.838 0.838 -12.597 65 2HD1 LEU 7 3HD1 LEU 7 -18.213 -0.478 -13.591 66 3HD1 LEU 7 2HD1 LEU 7 -19.724 -0.683 -12.705 67 1HD2 LEU 7 2HD2 LEU 7 -16.128 -1.867 -11.684 68 2HD2 LEU 7 1HD2 LEU 7 -17.536 -2.872 -11.342 69 3HD2 LEU 7 3HD2 LEU 7 -17.309 -2.191 -12.954 70 H LYS 8 H LYS 8 -18.156 1.218 -8.013 71 HA LYS 8 HA LYS 8 -20.761 -0.105 -8.291 72 1HB LYS 8 2HB LYS 8 -20.635 -0.380 -5.871 73 2HB LYS 8 1HB LYS 8 -19.083 -0.818 -6.586 74 1HG LYS 8 2HG LYS 8 -18.395 1.627 -6.149 75 2HG LYS 8 1HG LYS 8 -19.806 1.705 -5.094 76 1HD LYS 8 2HD LYS 8 -18.773 -0.562 -4.145 77 2HD LYS 8 1HD LYS 8 -17.280 0.140 -4.769 78 1HE LYS 8 2HE LYS 8 -17.281 1.087 -2.664 79 2HE LYS 8 1HE LYS 8 -18.217 2.309 -3.525 80 1HZ LYS 8 3HZ LYS 8 -20.206 0.831 -2.877 81 2HZ LYS 8 2HZ LYS 8 -19.156 0.194 -1.703 82 3HZ LYS 8 1HZ LYS 8 -19.529 1.852 -1.704 83 H ASP 9 H ASP 9 -19.503 3.042 -7.315 84 HA ASP 9 HA ASP 9 -22.081 3.992 -6.326 85 1HB ASP 9 2HB ASP 9 -19.448 5.331 -6.963 86 2HB ASP 9 1HB ASP 9 -20.873 6.261 -6.496 87 OH TYR 10 OH TYR 10 -22.390 7.345 -16.580 88 H TYR 10 H TYR 10 -20.474 3.812 -9.394 89 HA TYR 10 HA TYR 10 -22.243 5.798 -10.656 90 1HB TYR 10 2HB TYR 10 -19.827 5.452 -11.336 91 2HB TYR 10 1HB TYR 10 -20.301 3.878 -11.976 92 HD1 TYR 10 HD1 TYR 10 -22.409 3.920 -13.577 93 HD2 TYR 10 HD2 TYR 10 -19.895 7.300 -12.764 94 HE1 TYR 10 HE1 TYR 10 -23.173 4.987 -15.680 95 HE2 TYR 10 HE2 TYR 10 -20.658 8.372 -14.867 96 HH TYR 10 HH TYR 10 -22.502 6.656 -17.239 97 H ALA 11 H ALA 11 -21.898 2.305 -10.386 98 HA ALA 11 HA ALA 11 -24.021 1.768 -12.341 99 1HB ALA 11 3HB ALA 11 -21.965 0.263 -11.069 100 2HB ALA 11 2HB ALA 11 -23.504 -0.473 -10.619 101 3HB ALA 11 1HB ALA 11 -23.084 -0.278 -12.321 102 H MET 12 H MET 12 -23.732 2.294 -8.909 103 HA MET 12 HA MET 12 -26.421 1.209 -8.363 104 1HB MET 12 2HB MET 12 -24.235 2.405 -6.667 105 2HB MET 12 1HB MET 12 -25.861 2.177 -6.020 106 1HG MET 12 2HG MET 12 -24.800 -0.167 -7.453 107 2HG MET 12 1HG MET 12 -23.897 0.257 -5.999 108 1HE MET 12 3HE MET 12 -26.385 -1.234 -7.709 109 2HE MET 12 2HE MET 12 -26.833 -2.433 -6.497 110 3HE MET 12 1HE MET 12 -27.947 -1.124 -6.885 111 NH1 ARG 13 NH2 ARG 13 -25.201 8.665 -3.050 112 NH2 ARG 13 NH1 ARG 13 -23.376 7.342 -2.872 113 H ARG 13 H ARG 13 -24.757 4.356 -8.187 114 HA ARG 13 HA ARG 13 -27.186 5.810 -7.581 115 1HB ARG 13 2HB ARG 13 -24.489 6.721 -8.621 116 2HB ARG 13 1HB ARG 13 -25.789 7.822 -8.167 117 1HG ARG 13 2HG ARG 13 -25.595 6.073 -6.000 118 2HG ARG 13 1HG ARG 13 -23.920 6.376 -6.460 119 1HD ARG 13 2HD ARG 13 -24.886 8.893 -6.628 120 2HD ARG 13 1HD ARG 13 -25.957 8.253 -5.381 121 HE ARG 13 HE ARG 13 -23.000 8.492 -5.155 122 1HH1 ARG 13 1HH2 ARG 13 -25.804 9.240 -3.603 123 2HH1 ARG 13 2HH2 ARG 13 -25.394 8.529 -2.078 124 1HH2 ARG 13 2HH1 ARG 13 -22.581 6.902 -3.289 125 2HH2 ARG 13 1HH1 ARG 13 -23.569 7.207 -1.899 126 H PHE 14 H PHE 14 -25.603 4.772 -10.523 127 HA PHE 14 HA PHE 14 -27.704 6.234 -12.076 128 1HB PHE 14 2HB PHE 14 -25.029 5.322 -13.155 129 2HB PHE 14 1HB PHE 14 -26.165 6.450 -13.892 130 HD1 PHE 14 HD2 PHE 14 -26.907 8.011 -11.404 131 HD2 PHE 14 HD1 PHE 14 -23.106 6.731 -12.931 132 HE1 PHE 14 HE2 PHE 14 -25.803 9.899 -10.236 133 HE2 PHE 14 HE1 PHE 14 -22.000 8.616 -11.762 134 HZ PHE 14 HZ PHE 14 -23.348 10.203 -10.416 135 H GLY 15 H GLY 15 -27.162 3.315 -10.869 136 1HA GLY 15 2HA GLY 15 -28.003 1.196 -11.444 137 2HA GLY 15 1HA GLY 15 -28.779 1.955 -12.837 138 H GLN 16 H GLN 16 -26.995 -0.550 -12.418 139 HA GLN 16 HA GLN 16 -24.541 -0.167 -13.807 140 1HB GLN 16 2HB GLN 16 -26.273 -2.651 -13.926 141 2HB GLN 16 1HB GLN 16 -24.521 -2.557 -14.115 142 1HG GLN 16 2HG GLN 16 -24.171 -2.529 -11.877 143 2HG GLN 16 1HG GLN 16 -25.474 -1.371 -11.606 144 1HE2 GLN 16 2HE2 GLN 16 -26.342 -5.393 -11.516 145 2HE2 GLN 16 1HE2 GLN 16 -24.951 -4.862 -12.330 146 H THR 17 H THR 17 -27.772 -0.022 -14.922 147 HA THR 17 HA THR 17 -27.334 -0.877 -17.646 148 HB THR 17 HB THR 17 -29.423 1.068 -16.625 149 HG1 THR 17 HG1 THR 17 -30.051 -0.600 -15.529 150 1HG2 THR 17 2HG2 THR 17 -29.070 -0.596 -19.103 151 2HG2 THR 17 1HG2 THR 17 -30.689 -0.173 -18.544 152 3HG2 THR 17 3HG2 THR 17 -29.540 1.098 -18.962 153 H LYS 18 H LYS 18 -27.425 2.332 -16.083 154 HA LYS 18 HA LYS 18 -26.762 3.751 -18.518 155 1HB LYS 18 2HB LYS 18 -26.340 4.694 -15.670 156 2HB LYS 18 1HB LYS 18 -26.548 5.694 -17.108 157 1HG LYS 18 2HG LYS 18 -28.838 4.769 -17.392 158 2HG LYS 18 1HG LYS 18 -28.628 3.843 -15.906 159 1HD LYS 18 2HD LYS 18 -27.951 6.294 -14.996 160 2HD LYS 18 1HD LYS 18 -29.075 6.759 -16.274 161 1HE LYS 18 2HE LYS 18 -30.633 4.941 -15.259 162 2HE LYS 18 1HE LYS 18 -29.594 5.062 -13.839 163 1HZ LYS 18 1HZ LYS 18 -30.185 7.652 -14.663 164 2HZ LYS 18 3HZ LYS 18 -31.649 6.796 -14.661 165 3HZ LYS 18 2HZ LYS 18 -30.705 6.864 -13.251 166 H THR 19 H THR 19 -24.916 2.155 -16.024 167 HA THR 19 HA THR 19 -22.398 3.469 -16.604 168 HB THR 19 HB THR 19 -22.616 0.692 -15.453 169 HG1 THR 19 HG1 THR 19 -23.743 3.001 -14.514 170 1HG2 THR 19 2HG2 THR 19 -20.821 3.093 -15.053 171 2HG2 THR 19 1HG2 THR 19 -20.802 1.701 -13.971 172 3HG2 THR 19 3HG2 THR 19 -20.377 1.503 -15.671 173 H ALA 20 H ALA 20 -23.925 0.430 -17.649 174 HA ALA 20 HA ALA 20 -21.665 -0.299 -19.349 175 1HB ALA 20 3HB ALA 20 -23.325 -1.923 -18.284 176 2HB ALA 20 2HB ALA 20 -24.485 -1.389 -19.500 177 3HB ALA 20 1HB ALA 20 -22.991 -2.184 -19.996 178 H LYS 21 H LYS 21 -24.403 1.757 -19.641 179 HA LYS 21 HA LYS 21 -24.545 1.576 -22.567 180 1HB LYS 21 2HB LYS 21 -26.536 2.100 -21.104 181 2HB LYS 21 1HB LYS 21 -25.785 3.656 -20.746 182 1HG LYS 21 2HG LYS 21 -26.216 4.494 -22.830 183 2HG LYS 21 1HG LYS 21 -25.968 2.936 -23.618 184 1HD LYS 21 2HD LYS 21 -28.299 2.969 -21.837 185 2HD LYS 21 1HD LYS 21 -28.427 4.115 -23.171 186 1HE LYS 21 2HE LYS 21 -27.955 2.337 -24.785 187 2HE LYS 21 1HE LYS 21 -27.731 1.180 -23.474 188 1HZ LYS 21 2HZ LYS 21 -30.082 1.880 -22.794 189 2HZ LYS 21 1HZ LYS 21 -30.212 2.495 -24.374 190 3HZ LYS 21 3HZ LYS 21 -29.910 0.843 -24.129 191 H ASP 22 H ASP 22 -23.240 3.785 -20.134 192 HA ASP 22 HA ASP 22 -22.301 5.675 -22.167 193 1HB ASP 22 2HB ASP 22 -21.934 5.451 -19.175 194 2HB ASP 22 1HB ASP 22 -21.092 6.670 -20.132 195 H LEU 23 H LEU 23 -21.027 2.965 -20.341 196 HA LEU 23 HA LEU 23 -18.264 3.497 -21.211 197 1HB LEU 23 2HB LEU 23 -19.593 1.347 -19.561 198 2HB LEU 23 1HB LEU 23 -17.930 1.169 -20.121 199 HG LEU 23 HG LEU 23 -18.677 3.751 -18.824 200 1HD1 LEU 23 2HD1 LEU 23 -19.529 1.594 -17.507 201 2HD1 LEU 23 1HD1 LEU 23 -17.827 1.499 -17.054 202 3HD1 LEU 23 3HD1 LEU 23 -18.764 2.940 -16.662 203 1HD2 LEU 23 1HD2 LEU 23 -16.274 1.992 -19.174 204 2HD2 LEU 23 3HD2 LEU 23 -16.440 3.724 -19.458 205 3HD2 LEU 23 2HD2 LEU 23 -16.313 3.111 -17.810 206 H GLY 24 H GLY 24 -21.035 1.686 -22.266 207 1HA GLY 24 2HA GLY 24 -21.208 0.828 -24.521 208 2HA GLY 24 1HA GLY 24 -19.447 0.719 -24.582 209 H VAL 25 H VAL 25 -19.097 -0.603 -22.059 210 HA VAL 25 HA VAL 25 -19.256 -3.311 -22.816 211 HB VAL 25 HB VAL 25 -19.292 -3.635 -20.171 212 1HG1 VAL 25 2HG1 VAL 25 -17.384 -3.716 -22.018 213 2HG1 VAL 25 1HG1 VAL 25 -16.871 -2.226 -21.225 214 3HG1 VAL 25 3HG1 VAL 25 -16.982 -3.723 -20.301 215 1HG2 VAL 25 2HG2 VAL 25 -19.787 -0.945 -20.270 216 2HG2 VAL 25 1HG2 VAL 25 -19.027 -1.759 -18.903 217 3HG2 VAL 25 3HG2 VAL 25 -18.030 -0.962 -20.119 218 OH TYR 26 OH TYR 26 -18.688 -7.305 -25.188 219 H TYR 26 H TYR 26 -20.552 -4.806 -20.959 220 HA TYR 26 HA TYR 26 -23.413 -4.061 -21.411 221 1HB TYR 26 2HB TYR 26 -22.884 -6.867 -20.731 222 2HB TYR 26 1HB TYR 26 -23.844 -6.194 -22.046 223 HD1 TYR 26 HD1 TYR 26 -22.240 -4.803 -23.810 224 HD2 TYR 26 HD2 TYR 26 -21.086 -8.174 -21.410 225 HE1 TYR 26 HE1 TYR 26 -20.405 -5.307 -25.401 226 HE2 TYR 26 HE2 TYR 26 -19.252 -8.679 -23.001 227 HH TYR 26 HH TYR 26 -19.002 -7.970 -25.803 228 H GLN 27 H GLN 27 -24.883 -5.171 -19.707 229 HA GLN 27 HA GLN 27 -24.083 -4.206 -17.100 230 1HB GLN 27 2HB GLN 27 -26.419 -5.986 -17.861 231 2HB GLN 27 1HB GLN 27 -26.247 -5.088 -16.352 232 1HG GLN 27 2HG GLN 27 -27.246 -3.339 -17.354 233 2HG GLN 27 1HG GLN 27 -25.832 -3.200 -18.400 234 1HE2 GLN 27 2HE2 GLN 27 -27.760 -4.014 -21.217 235 2HE2 GLN 27 1HE2 GLN 27 -26.508 -3.091 -20.538 236 H SER 28 H SER 28 -23.902 -7.285 -18.727 237 HA SER 28 HA SER 28 -23.577 -8.870 -16.311 238 1HB SER 28 2HB SER 28 -23.571 -9.326 -19.202 239 2HB SER 28 1HB SER 28 -22.360 -10.290 -18.359 240 HG SER 28 HG SER 28 -24.156 -10.786 -16.859 241 H ALA 29 H ALA 29 -21.515 -6.864 -18.230 242 HA ALA 29 HA ALA 29 -19.034 -8.118 -17.285 243 1HB ALA 29 1HB ALA 29 -19.777 -5.894 -19.110 244 2HB ALA 29 3HB ALA 29 -18.239 -5.716 -18.267 245 3HB ALA 29 2HB ALA 29 -18.527 -7.122 -19.292 246 H ILE 30 H ILE 30 -20.944 -5.219 -16.644 247 HA ILE 30 HA ILE 30 -19.152 -4.196 -14.610 248 HB ILE 30 HB ILE 30 -21.994 -3.611 -15.437 249 1HG1 ILE 30 2HG1 ILE 30 -19.843 -1.562 -15.232 250 2HG1 ILE 30 1HG1 ILE 30 -19.646 -2.791 -16.483 251 1HG2 ILE 30 3HG2 ILE 30 -20.674 -3.001 -12.879 252 2HG2 ILE 30 2HG2 ILE 30 -21.336 -1.588 -13.700 253 3HG2 ILE 30 1HG2 ILE 30 -22.384 -2.949 -13.303 254 1HD1 ILE 30 2HD1 ILE 30 -22.313 -2.110 -16.721 255 2HD1 ILE 30 1HD1 ILE 30 -21.552 -0.566 -16.338 256 3HD1 ILE 30 3HD1 ILE 30 -21.011 -1.492 -17.738 257 H ASN 31 H ASN 31 -21.722 -6.528 -14.732 258 HA ASN 31 HA ASN 31 -22.299 -6.556 -11.890 259 1HB ASN 31 2HB ASN 31 -23.095 -8.082 -14.276 260 2HB ASN 31 1HB ASN 31 -22.975 -9.068 -12.819 261 1HD2 ASN 31 2HD2 ASN 31 -25.626 -7.306 -11.125 262 2HD2 ASN 31 1HD2 ASN 31 -24.182 -8.152 -10.842 263 H LYS 32 H LYS 32 -20.297 -8.608 -14.038 264 HA LYS 32 HA LYS 32 -19.311 -10.225 -11.850 265 1HB LYS 32 2HB LYS 32 -17.654 -11.040 -13.499 266 2HB LYS 32 1HB LYS 32 -19.291 -11.064 -14.159 267 1HG LYS 32 2HG LYS 32 -18.914 -9.057 -15.402 268 2HG LYS 32 1HG LYS 32 -17.396 -8.744 -14.558 269 1HD LYS 32 2HD LYS 32 -17.962 -11.034 -16.465 270 2HD LYS 32 1HD LYS 32 -16.891 -9.663 -16.756 271 1HE LYS 32 2HE LYS 32 -15.932 -10.644 -14.369 272 2HE LYS 32 1HE LYS 32 -16.410 -12.119 -15.210 273 1HZ LYS 32 1HZ LYS 32 -14.957 -10.114 -16.752 274 2HZ LYS 32 3HZ LYS 32 -14.072 -10.974 -15.588 275 3HZ LYS 32 2HZ LYS 32 -14.881 -11.810 -16.827 276 H ALA 33 H ALA 33 -18.489 -7.124 -13.138 277 HA ALA 33 HA ALA 33 -15.770 -7.067 -12.091 278 1HB ALA 33 1HB ALA 33 -17.326 -5.441 -13.793 279 2HB ALA 33 3HB ALA 33 -16.957 -4.442 -12.387 280 3HB ALA 33 2HB ALA 33 -15.649 -5.175 -13.316 281 H ILE 34 H ILE 34 -18.964 -6.043 -10.998 282 HA ILE 34 HA ILE 34 -17.912 -4.836 -8.542 283 HB ILE 34 HB ILE 34 -20.684 -5.403 -9.606 284 1HG1 ILE 34 2HG1 ILE 34 -19.208 -2.860 -8.850 285 2HG1 ILE 34 1HG1 ILE 34 -19.466 -3.445 -10.493 286 1HG2 ILE 34 3HG2 ILE 34 -19.916 -4.301 -6.884 287 2HG2 ILE 34 2HG2 ILE 34 -21.545 -4.259 -7.562 288 3HG2 ILE 34 1HG2 ILE 34 -20.782 -5.806 -7.197 289 1HD1 ILE 34 3HD1 ILE 34 -21.704 -2.808 -8.550 290 2HD1 ILE 34 2HD1 ILE 34 -21.121 -1.692 -9.784 291 3HD1 ILE 34 1HD1 ILE 34 -21.871 -3.217 -10.258 292 H HIS 35 H HIS 35 -19.032 -7.941 -9.622 293 HA HIS 35 HA HIS 35 -19.602 -9.020 -6.988 294 1HB HIS 35 2HB HIS 35 -19.226 -10.176 -9.742 295 2HB HIS 35 1HB HIS 35 -19.266 -11.245 -8.340 296 HD1 HIS 35 HD1 HIS 35 -21.325 -8.091 -8.750 297 HD2 HIS 35 HD2 HIS 35 -21.876 -12.220 -8.628 298 HE1 HIS 35 HE1 HIS 35 -23.827 -8.477 -8.683 299 H ALA 36 H ALA 36 -16.795 -8.975 -9.153 300 HA ALA 36 HA ALA 36 -15.159 -10.732 -7.571 301 1HB ALA 36 3HB ALA 36 -14.730 -8.800 -9.794 302 2HB ALA 36 2HB ALA 36 -13.321 -9.186 -8.805 303 3HB ALA 36 1HB ALA 36 -14.192 -10.473 -9.639 304 H GLY 37 H GLY 37 -16.166 -7.463 -7.167 305 1HA GLY 37 2HA GLY 37 -15.656 -5.881 -5.512 306 2HA GLY 37 1HA GLY 37 -15.043 -7.235 -4.561 307 NH1 ARG 38 NH1 ARG 38 -10.212 -8.928 -12.540 308 NH2 ARG 38 NH2 ARG 38 -9.891 -6.757 -13.091 309 H ARG 38 H ARG 38 -13.795 -6.286 -7.728 310 HA ARG 38 HA ARG 38 -11.105 -6.067 -6.567 311 1HB ARG 38 2HB ARG 38 -12.262 -6.435 -9.229 312 2HB ARG 38 1HB ARG 38 -10.926 -5.283 -9.225 313 1HG ARG 38 2HG ARG 38 -9.389 -6.861 -8.457 314 2HG ARG 38 1HG ARG 38 -10.640 -7.874 -7.735 315 1HD ARG 38 2HD ARG 38 -10.000 -9.072 -9.665 316 2HD ARG 38 1HD ARG 38 -11.468 -8.229 -10.163 317 HE ARG 38 HE ARG 38 -8.992 -6.760 -10.717 318 1HH1 ARG 38 2HH1 ARG 38 -10.239 -9.650 -11.850 319 2HH1 ARG 38 1HH1 ARG 38 -10.404 -9.143 -13.497 320 1HH2 ARG 38 1HH2 ARG 38 -9.671 -5.820 -12.822 321 2HH2 ARG 38 2HH2 ARG 38 -10.083 -6.971 -14.048 322 H LYS 39 H LYS 39 -9.814 -4.086 -7.755 323 HA LYS 39 HA LYS 39 -11.167 -1.667 -6.714 324 1HB LYS 39 2HB LYS 39 -8.334 -2.139 -7.692 325 2HB LYS 39 1HB LYS 39 -8.927 -0.608 -7.047 326 1HG LYS 39 2HG LYS 39 -8.697 -3.255 -5.596 327 2HG LYS 39 1HG LYS 39 -7.864 -1.747 -5.221 328 1HD LYS 39 2HD LYS 39 -10.463 -0.924 -5.130 329 2HD LYS 39 1HD LYS 39 -10.623 -2.588 -4.566 330 1HE LYS 39 2HE LYS 39 -8.684 -0.548 -3.437 331 2HE LYS 39 1HE LYS 39 -10.210 -1.019 -2.689 332 1HZ LYS 39 2HZ LYS 39 -8.990 -3.389 -3.187 333 2HZ LYS 39 1HZ LYS 39 -7.693 -2.393 -2.724 334 3HZ LYS 39 3HZ LYS 39 -9.019 -2.593 -1.687 335 H ILE 40 H ILE 40 -12.722 -1.589 -8.483 336 HA ILE 40 HA ILE 40 -11.528 -0.633 -11.051 337 HB ILE 40 HB ILE 40 -14.308 -1.708 -10.469 338 1HG1 ILE 40 2HG1 ILE 40 -12.130 -2.855 -12.235 339 2HG1 ILE 40 1HG1 ILE 40 -12.361 -3.347 -10.557 340 1HG2 ILE 40 1HG2 ILE 40 -13.044 -0.439 -12.886 341 2HG2 ILE 40 3HG2 ILE 40 -14.305 -1.656 -13.089 342 3HG2 ILE 40 2HG2 ILE 40 -14.649 -0.170 -12.204 343 1HD1 ILE 40 1HD1 ILE 40 -14.853 -3.353 -12.099 344 2HD1 ILE 40 3HD1 ILE 40 -13.643 -4.463 -12.744 345 3HD1 ILE 40 2HD1 ILE 40 -14.169 -4.609 -11.067 346 H PHE 41 H PHE 41 -11.444 1.540 -11.096 347 HA PHE 41 HA PHE 41 -13.630 3.047 -9.727 348 1HB PHE 41 2HB PHE 41 -10.881 4.053 -10.513 349 2HB PHE 41 1HB PHE 41 -12.052 4.860 -9.469 350 HD1 PHE 41 HD2 PHE 41 -12.892 2.013 -8.240 351 HD2 PHE 41 HD1 PHE 41 -9.190 4.152 -8.667 352 HE1 PHE 41 HE2 PHE 41 -11.977 0.826 -6.268 353 HE2 PHE 41 HE1 PHE 41 -8.278 2.962 -6.693 354 HZ PHE 41 HZ PHE 41 -9.671 1.299 -5.495 355 H LEU 42 H LEU 42 -14.698 4.696 -10.888 356 HA LEU 42 HA LEU 42 -14.392 4.483 -13.830 357 1HB LEU 42 2HB LEU 42 -16.598 5.121 -11.967 358 2HB LEU 42 1HB LEU 42 -16.571 6.080 -13.446 359 HG LEU 42 HG LEU 42 -16.757 4.171 -14.829 360 1HD1 LEU 42 2HD1 LEU 42 -15.961 2.605 -12.363 361 2HD1 LEU 42 1HD1 LEU 42 -16.603 1.839 -13.818 362 3HD1 LEU 42 3HD1 LEU 42 -15.083 2.732 -13.888 363 1HD2 LEU 42 3HD2 LEU 42 -18.470 4.236 -12.415 364 2HD2 LEU 42 2HD2 LEU 42 -18.924 4.270 -14.118 365 3HD2 LEU 42 1HD2 LEU 42 -18.528 2.736 -13.341 366 H THR 43 H THR 43 -13.636 6.159 -15.034 367 HA THR 43 HA THR 43 -13.169 8.763 -13.635 368 HB THR 43 HB THR 43 -11.479 7.233 -15.616 369 HG1 THR 43 HG1 THR 43 -10.783 6.886 -13.620 370 1HG2 THR 43 3HG2 THR 43 -11.302 10.186 -14.957 371 2HG2 THR 43 2HG2 THR 43 -10.087 9.273 -15.851 372 3HG2 THR 43 1HG2 THR 43 -11.698 9.494 -16.530 373 H ILE 44 H ILE 44 -14.483 10.318 -14.473 374 HA ILE 44 HA ILE 44 -15.490 9.930 -17.249 375 HB ILE 44 HB ILE 44 -16.649 11.989 -15.417 376 1HG1 ILE 44 2HG1 ILE 44 -16.362 10.016 -13.961 377 2HG1 ILE 44 1HG1 ILE 44 -18.066 10.256 -14.353 378 1HG2 ILE 44 2HG2 ILE 44 -17.448 11.619 -17.756 379 2HG2 ILE 44 1HG2 ILE 44 -17.877 9.967 -17.313 380 3HG2 ILE 44 3HG2 ILE 44 -18.704 11.326 -16.551 381 1HD1 ILE 44 3HD1 ILE 44 -17.115 8.659 -16.432 382 2HD1 ILE 44 2HD1 ILE 44 -16.321 8.009 -14.997 383 3HD1 ILE 44 1HD1 ILE 44 -18.081 8.112 -15.061 384 H ASN 45 H ASN 45 -14.859 11.313 -18.832 385 HA ASN 45 HA ASN 45 -13.025 13.504 -18.171 386 1HB ASN 45 2HB ASN 45 -14.141 12.614 -20.849 387 2HB ASN 45 1HB ASN 45 -12.811 13.745 -20.611 388 1HD2 ASN 45 2HD2 ASN 45 -10.412 11.207 -20.174 389 2HD2 ASN 45 1HD2 ASN 45 -10.731 12.866 -20.345 390 H ALA 46 H ALA 46 -13.475 15.694 -18.471 391 HA ALA 46 HA ALA 46 -15.887 16.805 -17.815 392 1HB ALA 46 1HB ALA 46 -13.522 17.856 -18.552 393 2HB ALA 46 3HB ALA 46 -14.464 18.243 -19.992 394 3HB ALA 46 2HB ALA 46 -14.989 18.824 -18.413 395 H ASP 47 H ASP 47 -15.139 15.383 -20.927 396 HA ASP 47 HA ASP 47 -17.446 16.621 -22.244 397 1HB ASP 47 2HB ASP 47 -15.676 14.325 -23.136 398 2HB ASP 47 1HB ASP 47 -16.839 15.184 -24.146 399 H GLY 48 H GLY 48 -17.942 14.993 -19.797 400 1HA GLY 48 2HA GLY 48 -19.466 13.372 -19.060 401 2HA GLY 48 1HA GLY 48 -20.302 13.657 -20.588 402 H SER 49 H SER 49 -16.987 12.607 -20.619 403 HA SER 49 HA SER 49 -17.843 10.091 -21.935 404 1HB SER 49 2HB SER 49 -16.054 10.767 -23.177 405 2HB SER 49 1HB SER 49 -15.410 11.762 -21.876 406 HG SER 49 HG SER 49 -14.054 10.191 -21.585 407 H VAL 50 H VAL 50 -16.997 8.019 -21.206 408 HA VAL 50 HA VAL 50 -16.522 8.017 -18.256 409 HB VAL 50 HB VAL 50 -17.311 5.611 -19.904 410 1HG1 VAL 50 2HG1 VAL 50 -17.303 6.396 -16.993 411 2HG1 VAL 50 1HG1 VAL 50 -18.345 5.098 -17.573 412 3HG1 VAL 50 3HG1 VAL 50 -16.594 4.971 -17.748 413 1HG2 VAL 50 2HG2 VAL 50 -18.974 7.891 -18.888 414 2HG2 VAL 50 1HG2 VAL 50 -19.157 6.948 -20.368 415 3HG2 VAL 50 3HG2 VAL 50 -19.642 6.260 -18.818 416 OH TYR 51 OH TYR 51 -7.295 5.190 -20.899 417 H TYR 51 H TYR 51 -14.909 6.561 -17.426 418 HA TYR 51 HA TYR 51 -13.041 5.304 -19.311 419 1HB TYR 51 2HB TYR 51 -12.483 7.852 -19.002 420 2HB TYR 51 1HB TYR 51 -11.869 7.339 -17.431 421 HD1 TYR 51 HD1 TYR 51 -11.822 5.714 -20.813 422 HD2 TYR 51 HD2 TYR 51 -9.543 7.247 -17.511 423 HE1 TYR 51 HE1 TYR 51 -9.731 4.916 -21.884 424 HE2 TYR 51 HE2 TYR 51 -7.454 6.451 -18.581 425 HH TYR 51 HH TYR 51 -6.656 5.906 -20.871 426 H ALA 52 H ALA 52 -13.988 3.539 -17.938 427 HA ALA 52 HA ALA 52 -13.279 3.473 -15.107 428 1HB ALA 52 2HB ALA 52 -14.440 1.449 -17.029 429 2HB ALA 52 1HB ALA 52 -14.031 1.028 -15.365 430 3HB ALA 52 3HB ALA 52 -15.246 2.264 -15.689 431 H GLU 53 H GLU 53 -11.445 2.614 -14.234 432 HA GLU 53 HA GLU 53 -9.688 0.944 -15.959 433 1HB GLU 53 2HB GLU 53 -8.548 3.149 -14.249 434 2HB GLU 53 1HB GLU 53 -7.792 2.296 -15.592 435 1HG GLU 53 2HG GLU 53 -9.598 3.326 -17.081 436 2HG GLU 53 1HG GLU 53 -9.994 4.365 -15.714 437 H GLU 54 H GLU 54 -8.352 -0.489 -14.756 438 HA GLU 54 HA GLU 54 -9.244 -1.015 -12.005 439 1HB GLU 54 2HB GLU 54 -8.901 -2.985 -13.354 440 2HB GLU 54 1HB GLU 54 -7.319 -2.418 -13.887 441 1HG GLU 54 2HG GLU 54 -6.638 -2.471 -11.412 442 2HG GLU 54 1HG GLU 54 -8.118 -3.392 -11.140 443 H VAL 55 H VAL 55 -7.663 -0.950 -10.213 444 HA VAL 55 HA VAL 55 -5.107 0.373 -10.846 445 HB VAL 55 HB VAL 55 -6.158 1.847 -8.659 446 1HG1 VAL 55 1HG1 VAL 55 -5.173 2.252 -11.415 447 2HG1 VAL 55 3HG1 VAL 55 -6.192 3.551 -10.793 448 3HG1 VAL 55 2HG1 VAL 55 -4.724 3.087 -9.929 449 1HG2 VAL 55 1HG2 VAL 55 -8.418 1.182 -9.448 450 2HG2 VAL 55 3HG2 VAL 55 -8.134 2.905 -9.698 451 3HG2 VAL 55 2HG2 VAL 55 -8.026 1.788 -11.057 452 H LYS 56 H LYS 56 -3.567 -0.546 -9.641 453 HA LYS 56 HA LYS 56 -4.045 -1.260 -6.840 454 1HB LYS 56 2HB LYS 56 -4.952 -3.250 -7.639 455 2HB LYS 56 1HB LYS 56 -3.917 -3.265 -9.063 456 1HG LYS 56 2HG LYS 56 -2.592 -3.493 -6.394 457 2HG LYS 56 1HG LYS 56 -3.475 -4.899 -6.987 458 1HD LYS 56 2HD LYS 56 -1.585 -3.479 -8.832 459 2HD LYS 56 1HD LYS 56 -0.935 -4.578 -7.616 460 1HE LYS 56 2HE LYS 56 -3.225 -5.450 -9.359 461 2HE LYS 56 1HE LYS 56 -1.573 -5.527 -9.971 462 1HZ LYS 56 1HZ LYS 56 -2.512 -6.763 -7.440 463 2HZ LYS 56 3HZ LYS 56 -2.271 -7.595 -8.898 464 3HZ LYS 56 2HZ LYS 56 -0.951 -6.885 -8.099 465 HA PRO 57 HA PRO 57 0.295 -0.352 -6.965 466 1HB PRO 57 2HB PRO 57 0.831 -0.988 -4.346 467 2HB PRO 57 1HB PRO 57 0.038 0.517 -4.847 468 1HG PRO 57 2HG PRO 57 -1.162 -1.914 -3.591 469 2HG PRO 57 1HG PRO 57 -1.690 -0.226 -3.497 470 1HD PRO 57 2HD PRO 57 -2.851 -2.209 -5.121 471 2HD PRO 57 1HD PRO 57 -3.088 -0.460 -5.301 472 H PHE 58 H PHE 58 2.252 -1.537 -7.167 473 HA PHE 58 HA PHE 58 2.002 -4.485 -6.726 474 1HB PHE 58 2HB PHE 58 3.064 -4.923 -8.739 475 2HB PHE 58 1HB PHE 58 2.218 -3.438 -9.158 476 HD1 PHE 58 HD1 PHE 58 5.502 -4.712 -7.874 477 HD2 PHE 58 HD2 PHE 58 3.420 -1.559 -9.922 478 HE1 PHE 58 HE1 PHE 58 7.667 -3.637 -8.423 479 HE2 PHE 58 HE2 PHE 58 5.587 -0.487 -10.469 480 HZ PHE 58 HZ PHE 58 7.709 -1.524 -9.718 481 HA PRO 59 HA PRO 59 3.467 -6.040 -7.247 482 1HB PRO 59 2HB PRO 59 4.511 -7.975 -5.600 483 2HB PRO 59 1HB PRO 59 5.414 -7.237 -6.933 484 1HG PRO 59 2HG PRO 59 5.706 -6.795 -4.001 485 2HG PRO 59 1HG PRO 59 6.901 -6.585 -5.292 486 1HD PRO 59 2HD PRO 59 5.431 -4.515 -4.015 487 2HD PRO 59 1HD PRO 59 6.414 -4.355 -5.487 488 H SER 60 H SER 60 2.160 -8.026 -6.306 489 HA SER 60 HA SER 60 0.292 -6.928 -4.296 490 1HB SER 60 2HB SER 60 -0.398 -8.113 -6.484 491 2HB SER 60 1HB SER 60 0.066 -9.606 -5.674 492 HG SER 60 HG SER 60 -1.917 -9.468 -4.948 493 H ASN 61 H ASN 61 1.706 -10.183 -4.779 494 HA ASN 61 HA ASN 61 1.703 -10.541 -1.836 495 1HB ASN 61 2HB ASN 61 0.843 -12.309 -3.478 496 2HB ASN 61 1HB ASN 61 2.530 -12.568 -3.924 497 1HD2 ASN 61 2HD2 ASN 61 1.408 -13.521 -0.073 498 2HD2 ASN 61 1HD2 ASN 61 0.611 -12.253 -0.871 499 H LYS 62 H LYS 62 3.648 -11.067 -0.691 500 HA LYS 62 HA LYS 62 6.100 -10.082 -2.053 501 1HB LYS 62 2HB LYS 62 7.021 -9.824 0.210 502 2HB LYS 62 1HB LYS 62 5.469 -8.996 0.079 503 1HG LYS 62 2HG LYS 62 4.356 -10.997 1.047 504 2HG LYS 62 1HG LYS 62 5.941 -11.742 1.261 505 1HD LYS 62 2HD LYS 62 6.566 -9.617 2.579 506 2HD LYS 62 1HD LYS 62 4.835 -9.283 2.620 507 1HE LYS 62 2HE LYS 62 5.385 -10.485 4.639 508 2HE LYS 62 1HE LYS 62 4.501 -11.593 3.588 509 1HZ LYS 62 1HZ LYS 62 7.252 -11.714 2.991 510 2HZ LYS 62 3HZ LYS 62 7.040 -11.933 4.659 511 3HZ LYS 62 2HZ LYS 62 6.230 -12.946 3.562 512 H LYS 63 H LYS 63 5.232 -12.674 -2.753 513 HA LYS 63 HA LYS 63 7.556 -14.235 -1.792 514 1HB LYS 63 2HB LYS 63 4.870 -14.700 -0.881 515 2HB LYS 63 1HB LYS 63 5.381 -16.062 -1.878 516 1HG LYS 63 2HG LYS 63 6.989 -14.906 0.419 517 2HG LYS 63 1HG LYS 63 5.996 -16.360 0.519 518 1HD LYS 63 2HD LYS 63 8.139 -16.089 -1.586 519 2HD LYS 63 1HD LYS 63 8.528 -16.657 0.039 520 1HE LYS 63 2HE LYS 63 6.654 -18.365 -0.252 521 2HE LYS 63 1HE LYS 63 6.634 -17.913 -1.956 522 1HZ LYS 63 2HZ LYS 63 9.289 -18.339 -1.177 523 2HZ LYS 63 1HZ LYS 63 8.373 -19.672 -0.658 524 3HZ LYS 63 3HZ LYS 63 8.366 -19.224 -2.294 525 H THR 64 H THR 64 6.856 -12.964 -4.323 526 HA THR 64 HA THR 64 6.215 -15.278 -6.073 527 HB THR 64 HB THR 64 6.663 -12.397 -6.885 528 HG1 THR 64 HG1 THR 64 4.222 -13.717 -6.317 529 1HG2 THR 64 2HG2 THR 64 5.615 -14.881 -8.195 530 2HG2 THR 64 1HG2 THR 64 4.994 -13.311 -8.705 531 3HG2 THR 64 3HG2 THR 64 6.718 -13.662 -8.836 532 H THR 65 H THR 65 8.653 -15.597 -4.851 533 HA THR 65 HA THR 65 10.564 -14.995 -7.073 534 HB THR 65 HB THR 65 11.512 -13.691 -5.416 535 HG1 THR 65 HG1 THR 65 13.190 -14.965 -5.591 536 1HG2 THR 65 2HG2 THR 65 9.666 -14.288 -3.795 537 2HG2 THR 65 1HG2 THR 65 10.639 -15.674 -3.301 538 3HG2 THR 65 3HG2 THR 65 11.244 -14.036 -3.047 539 H ALA 66 HN ALA 66 10.201 -17.071 -8.010 540 HA ALA 66 HA ALA 66 10.116 -19.551 -6.707 541 1HB ALA 66 1HB ALA 66 10.980 -18.635 -9.412 542 2HB ALA 66 3HB ALA 66 11.440 -20.267 -8.930 543 3HB ALA 66 2HB ALA 66 9.738 -19.806 -8.968 544 1H MET 1 1H MET 1 5.418 19.638 -7.234 545 2H MET 1 3H MET 1 5.169 20.133 -8.837 546 3H MET 1 2H MET 1 3.972 20.418 -7.666 547 HA MET 1 HA MET 1 3.166 18.333 -7.746 548 1HB MET 1 2HB MET 1 4.731 18.248 -10.336 549 2HB MET 1 1HB MET 1 3.172 17.495 -9.996 550 1HG MET 1 2HG MET 1 3.072 20.337 -9.441 551 2HG MET 1 1HG MET 1 3.605 20.046 -11.098 552 1HE MET 1 1HE MET 1 1.568 21.543 -11.289 553 2HE MET 1 3HE MET 1 -0.077 20.940 -11.535 554 3HE MET 1 2HE MET 1 0.502 21.293 -9.909 555 H GLU 2 H GLU 2 3.620 16.325 -6.937 556 HA GLU 2 HA GLU 2 6.139 15.552 -6.015 557 1HB GLU 2 2HB GLU 2 3.568 14.223 -6.478 558 2HB GLU 2 1HB GLU 2 4.941 13.128 -6.638 559 1HG GLU 2 2HG GLU 2 5.430 13.223 -4.424 560 2HG GLU 2 1HG GLU 2 5.135 14.960 -4.342 561 H GLN 3 H GLN 3 7.493 13.672 -6.841 562 HA GLN 3 HA GLN 3 8.139 14.159 -9.667 563 1HB GLN 3 2HB GLN 3 9.461 12.946 -7.331 564 2HB GLN 3 1HB GLN 3 9.775 12.102 -8.848 565 1HG GLN 3 2HG GLN 3 11.308 13.690 -9.305 566 2HG GLN 3 1HG GLN 3 9.968 14.821 -9.496 567 1HE2 GLN 3 2HE2 GLN 3 10.836 16.634 -6.612 568 2HE2 GLN 3 1HE2 GLN 3 9.974 16.573 -8.073 569 NH1 ARG 4 NH1 ARG 4 1.027 13.040 -8.740 570 NH2 ARG 4 NH2 ARG 4 2.281 12.049 -7.140 571 H ARG 4 H ARG 4 6.881 13.097 -11.143 572 HA ARG 4 HA ARG 4 5.965 10.339 -10.483 573 1HB ARG 4 2HB ARG 4 5.081 12.144 -12.754 574 2HB ARG 4 1HB ARG 4 4.329 10.627 -12.261 575 1HG ARG 4 2HG ARG 4 4.486 13.184 -10.640 576 2HG ARG 4 1HG ARG 4 3.033 12.452 -11.324 577 1HD ARG 4 2HD ARG 4 4.215 10.403 -9.826 578 2HD ARG 4 1HD ARG 4 4.391 11.844 -8.826 579 HE ARG 4 HE ARG 4 1.816 10.657 -9.707 580 1HH1 ARG 4 2HH1 ARG 4 0.736 13.107 -9.695 581 2HH1 ARG 4 1HH1 ARG 4 0.646 13.663 -8.057 582 1HH2 ARG 4 1HH2 ARG 4 2.950 11.358 -6.869 583 2HH2 ARG 4 2HH2 ARG 4 1.902 12.674 -6.457 584 H ILE 5 H ILE 5 7.031 8.667 -11.404 585 HA ILE 5 HA ILE 5 8.305 9.067 -14.063 586 HB ILE 5 HB ILE 5 9.821 7.456 -12.063 587 1HG1 ILE 5 2HG1 ILE 5 9.185 9.551 -10.838 588 2HG1 ILE 5 1HG1 ILE 5 10.920 9.418 -11.126 589 1HG2 ILE 5 1HG2 ILE 5 10.215 8.763 -14.629 590 2HG2 ILE 5 3HG2 ILE 5 11.471 9.222 -13.479 591 3HG2 ILE 5 2HG2 ILE 5 11.194 7.520 -13.850 592 1HD1 ILE 5 1HD1 ILE 5 9.677 10.697 -13.385 593 2HD1 ILE 5 3HD1 ILE 5 9.203 11.533 -11.907 594 3HD1 ILE 5 2HD1 ILE 5 10.911 11.336 -12.298 595 H THR 6 H THR 6 7.832 7.368 -15.387 596 HA THR 6 HA THR 6 6.165 5.211 -14.479 597 HB THR 6 HB THR 6 7.828 5.252 -17.010 598 HG1 THR 6 HG1 THR 6 5.346 6.069 -17.419 599 1HG2 THR 6 2HG2 THR 6 6.534 3.166 -16.234 600 2HG2 THR 6 1HG2 THR 6 5.075 4.098 -16.563 601 3HG2 THR 6 3HG2 THR 6 6.208 3.747 -17.867 602 H LEU 7 H LEU 7 6.732 2.944 -14.331 603 HA LEU 7 HA LEU 7 9.122 2.389 -12.907 604 1HB LEU 7 2HB LEU 7 7.156 0.923 -12.793 605 2HB LEU 7 1HB LEU 7 7.344 0.509 -14.494 606 HG LEU 7 HG LEU 7 9.665 -0.351 -13.912 607 1HD1 LEU 7 3HD1 LEU 7 8.549 0.006 -11.114 608 2HD1 LEU 7 2HD1 LEU 7 9.982 -0.945 -11.500 609 3HD1 LEU 7 1HD1 LEU 7 9.976 0.795 -11.786 610 1HD2 LEU 7 2HD2 LEU 7 7.157 -1.554 -13.752 611 2HD2 LEU 7 1HD2 LEU 7 8.706 -2.396 -13.808 612 3HD2 LEU 7 3HD2 LEU 7 7.952 -2.039 -12.254 613 H LYS 8 H LYS 8 8.591 2.791 -16.280 614 HA LYS 8 HA LYS 8 10.986 1.235 -17.026 615 1HB LYS 8 2HB LYS 8 10.334 1.578 -19.280 616 2HB LYS 8 1HB LYS 8 8.818 1.364 -18.406 617 1HG LYS 8 2HG LYS 8 8.803 3.934 -18.173 618 2HG LYS 8 1HG LYS 8 10.039 3.925 -19.432 619 1HD LYS 8 2HD LYS 8 8.288 2.287 -20.614 620 2HD LYS 8 1HD LYS 8 7.152 3.185 -19.606 621 1HE LYS 8 2HE LYS 8 9.088 4.947 -20.896 622 2HE LYS 8 1HE LYS 8 8.160 4.011 -22.070 623 1HZ LYS 8 2HZ LYS 8 6.603 5.089 -19.892 624 2HZ LYS 8 1HZ LYS 8 7.299 6.267 -20.898 625 3HZ LYS 8 3HZ LYS 8 6.282 5.083 -21.560 626 H ASP 9 H ASP 9 9.985 4.599 -16.675 627 HA ASP 9 HA ASP 9 12.447 5.641 -17.857 628 1HB ASP 9 2HB ASP 9 10.130 6.868 -16.363 629 2HB ASP 9 1HB ASP 9 11.575 7.812 -16.734 630 OH TYR 10 OH TYR 10 15.000 5.402 -7.348 631 H TYR 10 H TYR 10 11.366 4.672 -14.688 632 HA TYR 10 HA TYR 10 13.508 6.066 -13.272 633 1HB TYR 10 2HB TYR 10 11.285 5.507 -12.232 634 2HB TYR 10 1HB TYR 10 11.740 3.805 -12.292 635 HD1 TYR 10 HD2 TYR 10 13.950 6.720 -11.580 636 HD2 TYR 10 HD1 TYR 10 11.966 3.264 -9.988 637 HE1 TYR 10 HE2 TYR 10 15.210 6.973 -9.460 638 HE2 TYR 10 HE1 TYR 10 13.223 3.514 -7.867 639 HH TYR 10 HH TYR 10 15.454 4.574 -7.172 640 H ALA 11 H ALA 11 12.912 2.808 -14.502 641 HA ALA 11 HA ALA 11 15.387 1.766 -13.324 642 1HB ALA 11 2HB ALA 11 13.057 0.683 -14.731 643 2HB ALA 11 1HB ALA 11 14.572 -0.057 -15.247 644 3HB ALA 11 3HB ALA 11 14.111 -0.089 -13.545 645 H MET 12 H MET 12 14.401 3.220 -16.348 646 HA MET 12 HA MET 12 16.842 2.283 -17.718 647 1HB MET 12 2HB MET 12 14.454 3.918 -18.561 648 2HB MET 12 1HB MET 12 15.899 3.830 -19.570 649 1HG MET 12 2HG MET 12 15.718 1.301 -19.420 650 2HG MET 12 1HG MET 12 14.136 1.537 -18.678 651 1HE MET 12 3HE MET 12 13.711 -0.130 -20.483 652 2HE MET 12 2HE MET 12 13.147 0.291 -22.097 653 3HE MET 12 1HE MET 12 14.868 0.048 -21.809 654 NH1 ARG 13 NH2 ARG 13 18.176 10.939 -19.754 655 NH2 ARG 13 NH1 ARG 13 17.991 9.267 -21.265 656 H ARG 13 H ARG 13 15.537 5.273 -16.345 657 HA ARG 13 HA ARG 13 17.898 6.797 -17.226 658 1HB ARG 13 2HB ARG 13 15.445 7.503 -15.608 659 2HB ARG 13 1HB ARG 13 16.786 8.628 -15.823 660 1HG ARG 13 2HG ARG 13 15.909 7.375 -18.329 661 2HG ARG 13 1HG ARG 13 14.660 8.356 -17.562 662 1HD ARG 13 2HD ARG 13 15.874 10.314 -17.764 663 2HD ARG 13 1HD ARG 13 17.427 9.479 -17.710 664 HE ARG 13 HE ARG 13 15.712 9.138 -20.118 665 1HH1 ARG 13 1HH2 ARG 13 17.837 11.412 -18.940 666 2HH1 ARG 13 2HH2 ARG 13 18.995 11.271 -20.220 667 1HH2 ARG 13 2HH1 ARG 13 17.512 8.461 -21.610 668 2HH2 ARG 13 1HH1 ARG 13 18.810 9.600 -21.733 669 H PHE 14 H PHE 14 16.861 5.016 -14.426 670 HA PHE 14 HA PHE 14 19.205 6.121 -12.928 671 1HB PHE 14 2HB PHE 14 16.787 4.729 -11.747 672 2HB PHE 14 1HB PHE 14 18.057 5.583 -10.873 673 HD1 PHE 14 HD1 PHE 14 15.623 6.199 -13.671 674 HD2 PHE 14 HD2 PHE 14 17.643 7.775 -10.223 675 HE1 PHE 14 HE1 PHE 14 14.369 8.326 -13.908 676 HE2 PHE 14 HE2 PHE 14 16.389 9.902 -10.461 677 HZ PHE 14 HZ PHE 14 14.752 10.176 -12.303 678 H GLY 15 H GLY 15 17.499 3.200 -13.926 679 1HA GLY 15 2HA GLY 15 19.106 1.321 -14.526 680 2HA GLY 15 1HA GLY 15 19.840 1.613 -12.947 681 H GLN 16 H GLN 16 18.465 -0.823 -14.036 682 HA GLN 16 HA GLN 16 15.927 -1.092 -12.691 683 1HB GLN 16 2HB GLN 16 17.877 -3.258 -13.539 684 2HB GLN 16 1HB GLN 16 16.170 -3.486 -13.156 685 1HG GLN 16 2HG GLN 16 15.746 -3.119 -15.341 686 2HG GLN 16 1HG GLN 16 16.172 -1.432 -15.047 687 1HE2 GLN 16 2HE2 GLN 16 19.053 -3.897 -16.663 688 2HE2 GLN 16 1HE2 GLN 16 17.856 -4.573 -15.667 689 H THR 17 H THR 17 19.260 -1.453 -11.705 690 HA THR 17 HA THR 17 18.738 -3.005 -9.322 691 HB THR 17 HB THR 17 20.992 -3.016 -10.068 692 HG1 THR 17 HG1 THR 17 20.865 -2.769 -7.831 693 1HG2 THR 17 2HG2 THR 17 20.381 -0.279 -10.766 694 2HG2 THR 17 1HG2 THR 17 21.906 -0.358 -9.884 695 3HG2 THR 17 3HG2 THR 17 21.687 -1.308 -11.354 696 H LYS 18 H LYS 18 18.464 0.357 -10.155 697 HA LYS 18 HA LYS 18 18.390 1.274 -7.370 698 1HB LYS 18 2HB LYS 18 17.849 2.601 -10.032 699 2HB LYS 18 1HB LYS 18 17.592 3.431 -8.497 700 1HG LYS 18 2HG LYS 18 20.072 2.492 -8.049 701 2HG LYS 18 1HG LYS 18 20.139 2.618 -9.807 702 1HD LYS 18 2HD LYS 18 19.036 4.992 -9.327 703 2HD LYS 18 1HD LYS 18 19.826 4.780 -7.765 704 1HE LYS 18 2HE LYS 18 21.466 4.144 -10.160 705 2HE LYS 18 1HE LYS 18 21.083 5.847 -9.907 706 1HZ LYS 18 1HZ LYS 18 21.884 5.579 -7.595 707 2HZ LYS 18 3HZ LYS 18 22.396 4.009 -7.983 708 3HZ LYS 18 2HZ LYS 18 23.096 5.345 -8.763 709 H THR 19 H THR 19 16.029 1.113 -10.039 710 HA THR 19 HA THR 19 13.740 1.763 -8.479 711 HB THR 19 HB THR 19 13.972 0.036 -10.964 712 HG1 THR 19 HG1 THR 19 14.477 2.502 -10.699 713 1HG2 THR 19 2HG2 THR 19 11.847 -0.150 -9.478 714 2HG2 THR 19 1HG2 THR 19 11.497 1.482 -10.045 715 3HG2 THR 19 3HG2 THR 19 11.637 0.159 -11.202 716 H ALA 20 H ALA 20 15.506 -1.235 -8.891 717 HA ALA 20 HA ALA 20 13.406 -2.858 -7.644 718 1HB ALA 20 3HB ALA 20 15.181 -3.616 -9.393 719 2HB ALA 20 2HB ALA 20 16.267 -3.729 -8.007 720 3HB ALA 20 1HB ALA 20 14.798 -4.706 -8.060 721 H LYS 21 H LYS 21 16.237 -1.081 -6.627 722 HA LYS 21 HA LYS 21 16.505 -2.455 -4.076 723 1HB LYS 21 2HB LYS 21 17.786 -0.180 -5.449 724 2HB LYS 21 1HB LYS 21 17.681 0.001 -3.698 725 1HG LYS 21 2HG LYS 21 18.506 -2.687 -4.584 726 2HG LYS 21 1HG LYS 21 19.649 -1.406 -4.994 727 1HD LYS 21 2HD LYS 21 20.383 -1.438 -2.868 728 2HD LYS 21 1HD LYS 21 18.790 -0.886 -2.347 729 1HE LYS 21 2HE LYS 21 18.629 -3.683 -2.952 730 2HE LYS 21 1HE LYS 21 19.999 -3.422 -1.874 731 1HZ LYS 21 1HZ LYS 21 18.136 -1.843 -0.779 732 2HZ LYS 21 3HZ LYS 21 17.170 -3.103 -1.375 733 3HZ LYS 21 2HZ LYS 21 18.435 -3.443 -0.293 734 H ASP 22 H ASP 22 14.597 0.209 -5.296 735 HA ASP 22 HA ASP 22 13.837 1.064 -2.575 736 1HB ASP 22 2HB ASP 22 14.014 2.428 -4.938 737 2HB ASP 22 1HB ASP 22 12.286 2.079 -4.876 738 H LEU 23 H LEU 23 12.495 -0.710 -5.313 739 HA LEU 23 HA LEU 23 9.922 -1.083 -3.916 740 1HB LEU 23 2HB LEU 23 10.996 -1.923 -6.613 741 2HB LEU 23 1HB LEU 23 9.460 -2.532 -5.993 742 HG LEU 23 HG LEU 23 9.692 0.359 -5.680 743 1HD1 LEU 23 3HD1 LEU 23 10.597 -0.800 -8.180 744 2HD1 LEU 23 2HD1 LEU 23 9.138 0.160 -8.429 745 3HD1 LEU 23 1HD1 LEU 23 10.561 0.894 -7.689 746 1HD2 LEU 23 3HD2 LEU 23 7.692 -1.460 -5.788 747 2HD2 LEU 23 2HD2 LEU 23 7.447 0.247 -6.154 748 3HD2 LEU 23 1HD2 LEU 23 7.679 -0.911 -7.464 749 H GLY 24 H GLY 24 12.969 -2.554 -3.969 750 1HA GLY 24 2HA GLY 24 13.744 -4.607 -3.148 751 2HA GLY 24 1HA GLY 24 12.271 -4.627 -2.178 752 H VAL 25 H VAL 25 12.661 -4.749 -5.725 753 HA VAL 25 HA VAL 25 11.128 -7.317 -5.659 754 HB VAL 25 HB VAL 25 11.359 -5.776 -8.196 755 1HG1 VAL 25 2HG1 VAL 25 9.812 -7.894 -7.111 756 2HG1 VAL 25 1HG1 VAL 25 8.708 -6.547 -7.386 757 3HG1 VAL 25 3HG1 VAL 25 9.678 -7.177 -8.717 758 1HG2 VAL 25 1HG2 VAL 25 9.867 -4.827 -5.749 759 2HG2 VAL 25 3HG2 VAL 25 10.890 -3.894 -6.840 760 3HG2 VAL 25 2HG2 VAL 25 9.298 -4.434 -7.371 761 OH TYR 26 OH TYR 26 9.070 -11.928 -5.377 762 H TYR 26 H TYR 26 11.634 -8.283 -8.155 763 HA TYR 26 HA TYR 26 14.530 -8.924 -7.967 764 1HB TYR 26 2HB TYR 26 12.823 -10.319 -9.958 765 2HB TYR 26 1HB TYR 26 14.034 -10.976 -8.858 766 HD1 TYR 26 HD1 TYR 26 13.271 -10.375 -6.224 767 HD2 TYR 26 HD2 TYR 26 10.699 -11.183 -9.569 768 HE1 TYR 26 HE1 TYR 26 11.473 -11.085 -4.671 769 HE2 TYR 26 HE2 TYR 26 8.900 -11.891 -8.014 770 HH TYR 26 HH TYR 26 8.977 -11.252 -4.702 771 H GLN 27 H GLN 27 15.830 -8.931 -9.947 772 HA GLN 27 HA GLN 27 15.447 -6.580 -11.552 773 1HB GLN 27 2HB GLN 27 17.304 -8.945 -11.673 774 2HB GLN 27 1HB GLN 27 17.260 -7.793 -13.007 775 1HG GLN 27 2HG GLN 27 17.888 -5.977 -11.586 776 2HG GLN 27 1HG GLN 27 17.611 -6.932 -10.129 777 1HE2 GLN 27 2HE2 GLN 27 21.216 -7.199 -10.426 778 2HE2 GLN 27 1HE2 GLN 27 20.016 -6.172 -9.802 779 H SER 28 H SER 28 14.665 -9.983 -12.013 780 HA SER 28 HA SER 28 13.918 -9.662 -14.808 781 1HB SER 28 2HB SER 28 13.823 -11.837 -12.781 782 2HB SER 28 1HB SER 28 12.657 -11.936 -14.098 783 HG SER 28 HG SER 28 14.230 -12.392 -15.417 784 H ALA 29 H ALA 29 12.469 -8.795 -11.874 785 HA ALA 29 HA ALA 29 9.699 -9.137 -12.809 786 1HB ALA 29 1HB ALA 29 10.445 -9.275 -10.359 787 2HB ALA 29 3HB ALA 29 10.634 -7.523 -10.425 788 3HB ALA 29 2HB ALA 29 9.049 -8.249 -10.683 789 H ILE 30 H ILE 30 12.110 -6.599 -12.447 790 HA ILE 30 HA ILE 30 10.287 -4.485 -13.309 791 HB ILE 30 HB ILE 30 13.243 -4.672 -12.741 792 1HG1 ILE 30 2HG1 ILE 30 12.075 -2.483 -11.463 793 2HG1 ILE 30 1HG1 ILE 30 10.820 -3.722 -11.418 794 1HG2 ILE 30 3HG2 ILE 30 11.755 -2.448 -14.144 795 2HG2 ILE 30 2HG2 ILE 30 13.245 -2.156 -13.246 796 3HG2 ILE 30 1HG2 ILE 30 13.251 -3.239 -14.639 797 1HD1 ILE 30 1HD1 ILE 30 13.286 -5.008 -10.827 798 2HD1 ILE 30 3HD1 ILE 30 13.209 -3.550 -9.838 799 3HD1 ILE 30 2HD1 ILE 30 11.917 -4.749 -9.746 800 H ASN 31 H ASN 31 12.728 -6.576 -14.758 801 HA ASN 31 HA ASN 31 12.742 -5.243 -17.331 802 1HB ASN 31 2HB ASN 31 13.986 -7.584 -16.114 803 2HB ASN 31 1HB ASN 31 13.453 -7.917 -17.762 804 1HD2 ASN 31 1HD2 ASN 31 13.907 -5.627 -19.157 805 2HD2 ASN 31 2HD2 ASN 31 15.531 -5.141 -19.055 806 H LYS 32 H LYS 32 10.883 -7.878 -15.877 807 HA LYS 32 HA LYS 32 9.543 -8.564 -18.371 808 1HB LYS 32 2HB LYS 32 8.288 -10.122 -17.090 809 2HB LYS 32 1HB LYS 32 9.884 -10.100 -16.337 810 1HG LYS 32 2HG LYS 32 9.089 -8.533 -14.633 811 2HG LYS 32 1HG LYS 32 7.502 -8.479 -15.401 812 1HD LYS 32 2HD LYS 32 8.089 -11.216 -15.026 813 2HD LYS 32 1HD LYS 32 8.531 -10.413 -13.519 814 1HE LYS 32 2HE LYS 32 6.160 -9.183 -14.086 815 2HE LYS 32 1HE LYS 32 5.867 -10.795 -14.737 816 1HZ LYS 32 1HZ LYS 32 6.829 -10.185 -11.995 817 2HZ LYS 32 3HZ LYS 32 5.253 -10.657 -12.405 818 3HZ LYS 32 2HZ LYS 32 6.545 -11.738 -12.622 819 H ALA 33 H ALA 33 8.878 -6.507 -15.587 820 HA ALA 33 HA ALA 33 6.148 -5.915 -16.190 821 1HB ALA 33 3HB ALA 33 8.296 -4.700 -14.539 822 2HB ALA 33 2HB ALA 33 7.002 -3.611 -15.038 823 3HB ALA 33 1HB ALA 33 6.623 -5.066 -14.116 824 H ILE 34 H ILE 34 9.199 -4.505 -17.278 825 HA ILE 34 HA ILE 34 7.883 -2.430 -18.859 826 HB ILE 34 HB ILE 34 10.733 -3.435 -18.680 827 1HG1 ILE 34 2HG1 ILE 34 9.574 -0.706 -18.065 828 2HG1 ILE 34 1HG1 ILE 34 9.665 -1.989 -16.857 829 1HG2 ILE 34 3HG2 ILE 34 9.588 -1.246 -20.443 830 2HG2 ILE 34 2HG2 ILE 34 11.309 -1.512 -20.164 831 3HG2 ILE 34 1HG2 ILE 34 10.351 -2.739 -20.992 832 1HD1 ILE 34 3HD1 ILE 34 12.168 -2.147 -17.526 833 2HD1 ILE 34 2HD1 ILE 34 11.921 -0.560 -18.255 834 3HD1 ILE 34 1HD1 ILE 34 11.665 -0.786 -16.525 835 H HIS 35 H HIS 35 9.093 -5.685 -19.360 836 HA HIS 35 HA HIS 35 9.049 -5.650 -22.238 837 1HB HIS 35 2HB HIS 35 8.944 -7.828 -20.154 838 2HB HIS 35 1HB HIS 35 8.761 -8.208 -21.866 839 HD1 HIS 35 HD1 HIS 35 10.923 -5.337 -21.528 840 HD2 HIS 35 HD2 HIS 35 11.451 -9.464 -21.267 841 HE1 HIS 35 HE1 HIS 35 13.409 -5.759 -21.772 842 H ALA 36 H ALA 36 6.594 -5.991 -19.784 843 HA ALA 36 HA ALA 36 4.588 -7.023 -21.672 844 1HB ALA 36 2HB ALA 36 4.583 -7.653 -19.247 845 2HB ALA 36 1HB ALA 36 4.219 -5.974 -18.849 846 3HB ALA 36 3HB ALA 36 3.063 -6.932 -19.774 847 H GLY 37 H GLY 37 5.801 -3.970 -20.653 848 1HA GLY 37 2HA GLY 37 5.148 -1.781 -21.180 849 2HA GLY 37 1HA GLY 37 4.290 -2.492 -22.547 850 NH1 ARG 38 NH2 ARG 38 -1.713 -6.192 -14.803 851 NH2 ARG 38 NH1 ARG 38 -0.142 -7.801 -15.016 852 H ARG 38 H ARG 38 3.540 -3.431 -19.254 853 HA ARG 38 HA ARG 38 0.757 -2.701 -19.620 854 1HB ARG 38 2HB ARG 38 2.143 -4.413 -17.929 855 2HB ARG 38 1HB ARG 38 1.592 -3.132 -16.848 856 1HG ARG 38 2HG ARG 38 -0.620 -3.647 -17.142 857 2HG ARG 38 1HG ARG 38 -0.391 -4.123 -18.826 858 1HD ARG 38 2HD ARG 38 -0.862 -6.156 -17.711 859 2HD ARG 38 1HD ARG 38 0.893 -6.153 -17.884 860 HE ARG 38 HE ARG 38 0.858 -5.204 -15.465 861 1HH1 ARG 38 1HH2 ARG 38 -2.028 -5.259 -14.982 862 2HH1 ARG 38 2HH2 ARG 38 -2.289 -6.822 -14.284 863 1HH2 ARG 38 2HH1 ARG 38 0.748 -8.104 -15.358 864 2HH2 ARG 38 1HH1 ARG 38 -0.717 -8.431 -14.494 865 H LYS 39 H LYS 39 -0.274 -1.388 -17.652 866 HA LYS 39 HA LYS 39 1.050 1.252 -17.714 867 1HB LYS 39 2HB LYS 39 -1.677 0.244 -16.969 868 2HB LYS 39 1HB LYS 39 -1.142 1.809 -16.358 869 1HG LYS 39 2HG LYS 39 -2.198 2.349 -18.397 870 2HG LYS 39 1HG LYS 39 -0.486 2.309 -18.818 871 1HD LYS 39 2HD LYS 39 -0.699 0.403 -20.071 872 2HD LYS 39 1HD LYS 39 -1.947 -0.270 -19.022 873 1HE LYS 39 2HE LYS 39 -3.112 0.247 -21.011 874 2HE LYS 39 1HE LYS 39 -3.463 1.612 -19.951 875 1HZ LYS 39 2HZ LYS 39 -1.124 2.285 -21.198 876 2HZ LYS 39 1HZ LYS 39 -2.047 1.562 -22.426 877 3HZ LYS 39 3HZ LYS 39 -2.669 2.886 -21.569 878 H ILE 40 H ILE 40 2.833 0.540 -16.333 879 HA ILE 40 HA ILE 40 2.053 0.394 -13.448 880 HB ILE 40 HB ILE 40 4.732 -0.424 -14.598 881 1HG1 ILE 40 2HG1 ILE 40 2.544 -2.386 -13.937 882 2HG1 ILE 40 1HG1 ILE 40 2.620 -1.655 -15.540 883 1HG2 ILE 40 3HG2 ILE 40 3.420 -0.418 -11.970 884 2HG2 ILE 40 2HG2 ILE 40 4.132 -1.976 -12.392 885 3HG2 ILE 40 1HG2 ILE 40 5.134 -0.525 -12.369 886 1HD1 ILE 40 2HD1 ILE 40 5.256 -2.507 -14.772 887 2HD1 ILE 40 1HD1 ILE 40 4.133 -3.852 -14.571 888 3HD1 ILE 40 3HD1 ILE 40 4.277 -3.051 -16.136 889 H PHE 41 H PHE 41 2.114 2.513 -12.803 890 HA PHE 41 HA PHE 41 4.331 4.236 -13.761 891 1HB PHE 41 2HB PHE 41 2.049 5.065 -11.968 892 2HB PHE 41 1HB PHE 41 3.019 6.075 -13.042 893 HD1 PHE 41 HD1 PHE 41 2.983 3.815 -15.290 894 HD2 PHE 41 HD2 PHE 41 -0.055 5.852 -13.035 895 HE1 PHE 41 HE1 PHE 41 1.364 3.437 -17.125 896 HE2 PHE 41 HE2 PHE 41 -1.672 5.473 -14.873 897 HZ PHE 41 HZ PHE 41 -0.964 4.265 -16.918 898 H LEU 42 H LEU 42 5.511 5.560 -12.136 899 HA LEU 42 HA LEU 42 5.739 4.159 -9.498 900 1HB LEU 42 2HB LEU 42 7.695 4.468 -11.575 901 2HB LEU 42 1HB LEU 42 8.210 5.407 -10.175 902 HG LEU 42 HG LEU 42 7.980 3.444 -8.733 903 1HD1 LEU 42 1HD1 LEU 42 6.087 2.508 -10.270 904 2HD1 LEU 42 3HD1 LEU 42 7.409 1.773 -11.172 905 3HD1 LEU 42 2HD1 LEU 42 7.167 1.365 -9.476 906 1HD2 LEU 42 3HD2 LEU 42 9.638 3.345 -11.216 907 2HD2 LEU 42 2HD2 LEU 42 10.149 3.421 -9.530 908 3HD2 LEU 42 1HD2 LEU 42 9.589 1.894 -10.214 909 H THR 43 H THR 43 4.724 5.678 -8.169 910 HA THR 43 HA THR 43 5.289 8.543 -8.579 911 HB THR 43 HB THR 43 3.013 7.499 -7.866 912 HG1 THR 43 HG1 THR 43 2.524 9.420 -6.997 913 1HG2 THR 43 3HG2 THR 43 4.356 6.363 -5.873 914 2HG2 THR 43 2HG2 THR 43 4.005 7.893 -5.076 915 3HG2 THR 43 1HG2 THR 43 2.686 6.883 -5.665 916 H ILE 44 H ILE 44 7.132 9.367 -7.739 917 HA ILE 44 HA ILE 44 8.273 8.072 -5.312 918 HB ILE 44 HB ILE 44 9.894 10.122 -6.666 919 1HG1 ILE 44 2HG1 ILE 44 9.162 7.559 -8.122 920 2HG1 ILE 44 1HG1 ILE 44 8.751 9.192 -8.647 921 1HG2 ILE 44 2HG2 ILE 44 10.267 7.246 -5.793 922 2HG2 ILE 44 1HG2 ILE 44 11.548 8.204 -6.537 923 3HG2 ILE 44 3HG2 ILE 44 10.866 8.695 -4.986 924 1HD1 ILE 44 1HD1 ILE 44 11.613 8.388 -8.137 925 2HD1 ILE 44 3HD1 ILE 44 10.844 8.096 -9.697 926 3HD1 ILE 44 2HD1 ILE 44 11.006 9.744 -9.089 927 H ASN 45 H ASN 45 7.456 9.096 -3.531 928 HA ASN 45 HA ASN 45 6.601 11.823 -3.463 929 1HB ASN 45 2HB ASN 45 7.399 9.937 -1.227 930 2HB ASN 45 1HB ASN 45 6.647 11.513 -0.973 931 1HD2 ASN 45 2HD2 ASN 45 3.459 10.077 -1.314 932 2HD2 ASN 45 1HD2 ASN 45 4.478 11.154 -0.485 933 H ALA 46 H ALA 46 7.634 13.658 -2.682 934 HA ALA 46 HA ALA 46 10.235 14.249 -3.295 935 1HB ALA 46 2HB ALA 46 8.517 15.858 -2.405 936 2HB ALA 46 1HB ALA 46 8.897 15.280 -0.783 937 3HB ALA 46 3HB ALA 46 10.133 16.094 -1.741 938 H ASP 47 H ASP 47 9.200 12.355 -0.539 939 HA ASP 47 HA ASP 47 11.832 12.516 0.756 940 1HB ASP 47 2HB ASP 47 9.244 11.879 1.611 941 2HB ASP 47 1HB ASP 47 10.117 10.347 1.669 942 H GLY 48 H GLY 48 11.709 11.464 -2.002 943 1HA GLY 48 2HA GLY 48 12.507 9.645 -3.249 944 2HA GLY 48 1HA GLY 48 13.526 9.340 -1.841 945 H SER 49 H SER 49 10.009 9.282 -1.719 946 HA SER 49 HA SER 49 10.161 6.466 -0.811 947 1HB SER 49 2HB SER 49 8.192 6.865 0.284 948 2HB SER 49 1HB SER 49 8.662 8.550 0.075 949 HG SER 49 HG SER 49 6.723 7.040 -1.226 950 H VAL 50 H VAL 50 10.128 4.957 -2.425 951 HA VAL 50 HA VAL 50 8.811 5.576 -4.976 952 HB VAL 50 HB VAL 50 10.325 3.153 -3.970 953 1HG1 VAL 50 2HG1 VAL 50 8.528 2.441 -5.512 954 2HG1 VAL 50 1HG1 VAL 50 9.079 3.627 -6.696 955 3HG1 VAL 50 3HG1 VAL 50 10.115 2.268 -6.262 956 1HG2 VAL 50 2HG2 VAL 50 11.546 5.293 -4.600 957 2HG2 VAL 50 1HG2 VAL 50 12.016 3.866 -5.523 958 3HG2 VAL 50 3HG2 VAL 50 10.937 5.063 -6.239 959 OH TYR 51 OH TYR 51 -0.233 1.640 -2.212 960 H TYR 51 H TYR 51 6.710 5.176 -5.322 961 HA TYR 51 HA TYR 51 5.443 2.829 -3.997 962 1HB TYR 51 2HB TYR 51 4.873 4.996 -2.780 963 2HB TYR 51 1HB TYR 51 4.061 5.516 -4.257 964 HD1 TYR 51 HD2 TYR 51 2.080 4.291 -5.108 965 HD2 TYR 51 HD1 TYR 51 3.940 3.267 -1.373 966 HE1 TYR 51 HE2 TYR 51 0.079 2.972 -4.472 967 HE2 TYR 51 HE1 TYR 51 1.939 1.948 -0.738 968 HH TYR 51 HH TYR 51 -0.565 1.986 -1.380 969 H ALA 52 H ALA 52 5.427 1.695 -5.958 970 HA ALA 52 HA ALA 52 4.546 2.972 -8.421 971 1HB ALA 52 3HB ALA 52 6.136 0.877 -7.978 972 2HB ALA 52 2HB ALA 52 4.614 0.002 -8.147 973 3HB ALA 52 1HB ALA 52 5.193 1.023 -9.462 974 H GLU 53 H GLU 53 2.623 2.483 -9.580 975 HA GLU 53 HA GLU 53 0.471 1.087 -8.078 976 1HB GLU 53 2HB GLU 53 0.346 3.887 -9.221 977 2HB GLU 53 1HB GLU 53 -1.091 2.957 -8.791 978 1HG GLU 53 2HG GLU 53 0.735 2.788 -6.604 979 2HG GLU 53 1HG GLU 53 0.609 4.485 -7.065 980 H GLU 54 H GLU 54 -1.332 0.495 -9.496 981 HA GLU 54 HA GLU 54 -0.423 0.129 -12.323 982 1HB GLU 54 2HB GLU 54 -0.809 -1.939 -10.849 983 2HB GLU 54 1HB GLU 54 -2.522 -1.523 -10.892 984 1HG GLU 54 2HG GLU 54 -2.341 -2.981 -12.711 985 2HG GLU 54 1HG GLU 54 -2.149 -1.410 -13.488 986 H VAL 55 H VAL 55 -1.929 0.655 -13.977 987 HA VAL 55 HA VAL 55 -4.639 1.510 -13.268 988 HB VAL 55 HB VAL 55 -3.423 3.722 -14.692 989 1HG1 VAL 55 3HG1 VAL 55 -5.498 3.261 -12.936 990 2HG1 VAL 55 2HG1 VAL 55 -4.345 4.146 -11.937 991 3HG1 VAL 55 1HG1 VAL 55 -4.935 4.852 -13.441 992 1HG2 VAL 55 1HG2 VAL 55 -1.421 2.883 -13.328 993 2HG2 VAL 55 3HG2 VAL 55 -1.897 4.558 -13.053 994 3HG2 VAL 55 2HG2 VAL 55 -2.349 3.311 -11.891 995 H LYS 56 H LYS 56 -5.634 0.390 -14.883 996 HA LYS 56 HA LYS 56 -4.729 0.949 -17.672 997 1HB LYS 56 2HB LYS 56 -3.922 -1.212 -17.491 998 2HB LYS 56 1HB LYS 56 -5.125 -1.676 -16.294 999 1HG LYS 56 2HG LYS 56 -6.532 -2.456 -17.890 1000 2HG LYS 56 1HG LYS 56 -6.332 -1.012 -18.880 1001 1HD LYS 56 2HD LYS 56 -5.216 -2.387 -20.300 1002 2HD LYS 56 1HD LYS 56 -3.882 -2.214 -19.159 1003 1HE LYS 56 2HE LYS 56 -6.009 -4.347 -18.877 1004 2HE LYS 56 1HE LYS 56 -4.501 -4.611 -19.752 1005 1HZ LYS 56 3HZ LYS 56 -4.612 -3.652 -16.948 1006 2HZ LYS 56 2HZ LYS 56 -4.470 -5.292 -17.368 1007 3HZ LYS 56 1HZ LYS 56 -3.250 -4.192 -17.802 1008 HA PRO 57 HA PRO 57 -8.984 1.943 -18.165 1009 1HB PRO 57 2HB PRO 57 -9.035 1.970 -20.915 1010 2HB PRO 57 1HB PRO 57 -8.341 3.268 -19.927 1011 1HG PRO 57 2HG PRO 57 -6.943 1.158 -21.511 1012 2HG PRO 57 1HG PRO 57 -6.392 2.785 -21.075 1013 1HD PRO 57 2HD PRO 57 -5.585 0.390 -19.821 1014 2HD PRO 57 1HD PRO 57 -5.357 2.027 -19.173 1015 H PHE 58 H PHE 58 -10.990 1.097 -19.163 1016 HA PHE 58 HA PHE 58 -11.066 -1.825 -19.088 1017 1HB PHE 58 2HB PHE 58 -12.996 0.399 -19.029 1018 2HB PHE 58 1HB PHE 58 -13.564 -1.010 -19.924 1019 HD1 PHE 58 HD1 PHE 58 -11.685 -0.279 -16.751 1020 HD2 PHE 58 HD2 PHE 58 -14.707 -2.624 -18.706 1021 HE1 PHE 58 HE1 PHE 58 -12.161 -1.445 -14.616 1022 HE2 PHE 58 HE2 PHE 58 -15.182 -3.791 -16.570 1023 HZ PHE 58 HZ PHE 58 -13.909 -3.201 -14.525 1024 HA PRO 59 HA PRO 59 -12.959 -2.976 -19.762 1025 1HB PRO 59 2HB PRO 59 -13.042 -5.390 -21.071 1026 2HB PRO 59 1HB PRO 59 -14.230 -4.100 -21.328 1027 1HG PRO 59 2HG PRO 59 -12.009 -4.980 -23.107 1028 2HG PRO 59 1HG PRO 59 -13.529 -4.173 -23.526 1029 1HD PRO 59 2HD PRO 59 -10.975 -2.940 -23.324 1030 2HD PRO 59 1HD PRO 59 -12.539 -2.108 -23.464 1031 H SER 60 H SER 60 -12.131 -4.499 -18.217 1032 HA SER 60 HA SER 60 -9.221 -4.966 -18.430 1033 1HB SER 60 2HB SER 60 -10.970 -5.769 -16.109 1034 2HB SER 60 1HB SER 60 -9.255 -5.365 -16.102 1035 HG SER 60 HG SER 60 -9.825 -3.223 -16.576 1036 H ASN 61 H ASN 61 -11.286 -6.526 -20.020 1037 HA ASN 61 HA ASN 61 -10.878 -9.246 -18.887 1038 1HB ASN 61 2HB ASN 61 -12.636 -8.182 -21.113 1039 2HB ASN 61 1HB ASN 61 -12.443 -9.905 -20.784 1040 1HD2 ASN 61 2HD2 ASN 61 -15.376 -8.999 -18.782 1041 2HD2 ASN 61 1HD2 ASN 61 -14.977 -9.293 -20.405 1042 H LYS 62 H LYS 62 -10.252 -10.971 -20.537 1043 HA LYS 62 HA LYS 62 -7.872 -10.043 -21.978 1044 1HB LYS 62 2HB LYS 62 -9.085 -12.724 -21.359 1045 2HB LYS 62 1HB LYS 62 -7.846 -12.592 -22.608 1046 1HG LYS 62 2HG LYS 62 -6.579 -11.192 -20.752 1047 2HG LYS 62 1HG LYS 62 -7.620 -12.107 -19.660 1048 1HD LYS 62 2HD LYS 62 -5.855 -13.587 -19.813 1049 2HD LYS 62 1HD LYS 62 -6.808 -14.140 -21.191 1050 1HE LYS 62 2HE LYS 62 -4.804 -13.854 -22.279 1051 2HE LYS 62 1HE LYS 62 -5.400 -12.199 -22.410 1052 1HZ LYS 62 3HZ LYS 62 -4.223 -12.312 -19.948 1053 2HZ LYS 62 2HZ LYS 62 -3.175 -13.213 -20.937 1054 3HZ LYS 62 1HZ LYS 62 -3.562 -11.608 -21.342 1055 H LYS 63 H LYS 63 -7.551 -10.972 -24.283 1056 HA LYS 63 HA LYS 63 -8.243 -11.044 -26.524 1057 1HB LYS 63 2HB LYS 63 -9.858 -12.762 -25.557 1058 2HB LYS 63 1HB LYS 63 -11.042 -11.458 -25.449 1059 1HG LYS 63 2HG LYS 63 -11.501 -12.408 -27.550 1060 2HG LYS 63 1HG LYS 63 -10.466 -11.037 -27.952 1061 1HD LYS 63 2HD LYS 63 -8.548 -12.434 -28.211 1062 2HD LYS 63 1HD LYS 63 -9.363 -13.810 -27.469 1063 1HE LYS 63 2HE LYS 63 -10.620 -14.265 -29.361 1064 2HE LYS 63 1HE LYS 63 -10.589 -12.589 -29.910 1065 1HZ LYS 63 1HZ LYS 63 -8.199 -14.346 -29.864 1066 2HZ LYS 63 3HZ LYS 63 -9.186 -14.141 -31.229 1067 3HZ LYS 63 2HZ LYS 63 -8.342 -12.814 -30.586 1068 H THR 64 H THR 64 -8.772 -9.418 -27.960 1069 HA THR 64 HA THR 64 -10.212 -7.065 -26.808 1070 HB THR 64 HB THR 64 -8.472 -6.884 -29.246 1071 HG1 THR 64 HG1 THR 64 -6.867 -6.283 -27.439 1072 1HG2 THR 64 3HG2 THR 64 -9.729 -5.108 -27.283 1073 2HG2 THR 64 2HG2 THR 64 -8.032 -4.728 -27.574 1074 3HG2 THR 64 1HG2 THR 64 -9.172 -4.759 -28.919 1075 H THR 65 H THR 65 -12.245 -6.853 -27.609 1076 HA THR 65 HA THR 65 -12.801 -7.944 -30.333 1077 HB THR 65 HB THR 65 -15.111 -7.136 -28.712 1078 HG1 THR 65 HG1 THR 65 -13.863 -7.835 -27.013 1079 1HG2 THR 65 1HG2 THR 65 -14.193 -9.552 -30.261 1080 2HG2 THR 65 3HG2 THR 65 -15.651 -9.605 -29.272 1081 3HG2 THR 65 2HG2 THR 65 -15.536 -8.464 -30.611 1082 H ALA 66 HN ALA 66 -14.253 -6.649 -31.710 1083 HA ALA 66 HA ALA 66 -13.474 -3.898 -31.844 1084 1HB ALA 66 2HB ALA 66 -14.462 -5.497 -33.683 1085 2HB ALA 66 1HB ALA 66 -16.015 -4.895 -33.103 1086 3HB ALA 66 3HB ALA 66 -14.821 -3.772 -33.752 Start of MODEL 10 Raw file had 1086 H/Q atoms Start of MODEL 10 1 1H MET 1 1H MET 1 -17.246 21.093 -12.515 2 2H MET 1 3H MET 1 -18.153 22.243 -13.368 3 3H MET 1 2H MET 1 -17.985 22.377 -11.683 4 HA MET 1 HA MET 1 -19.497 20.759 -11.235 5 1HB MET 1 2HB MET 1 -20.543 22.612 -12.602 6 2HB MET 1 1HB MET 1 -20.382 21.573 -14.018 7 1HG MET 1 2HG MET 1 -21.687 19.809 -12.767 8 2HG MET 1 1HG MET 1 -21.989 21.010 -11.512 9 1HE MET 1 3HE MET 1 -22.399 19.923 -15.133 10 2HE MET 1 2HE MET 1 -23.672 19.262 -14.111 11 3HE MET 1 1HE MET 1 -24.088 20.370 -15.416 12 H GLU 2 H GLU 2 -17.987 18.888 -11.417 13 HA GLU 2 HA GLU 2 -18.613 17.217 -13.820 14 1HB GLU 2 2HB GLU 2 -16.101 17.442 -12.156 15 2HB GLU 2 1HB GLU 2 -16.413 16.038 -13.176 16 1HG GLU 2 2HG GLU 2 -16.465 17.369 -15.159 17 2HG GLU 2 1HG GLU 2 -16.537 18.869 -14.233 18 H GLN 3 H GLN 3 -19.487 15.210 -13.411 19 HA GLN 3 HA GLN 3 -20.175 14.599 -10.607 20 1HB GLN 3 2HB GLN 3 -20.999 13.458 -13.278 21 2HB GLN 3 1HB GLN 3 -21.410 12.647 -11.766 22 1HG GLN 3 2HG GLN 3 -22.532 14.682 -10.961 23 2HG GLN 3 1HG GLN 3 -22.106 15.517 -12.457 24 1HE2 GLN 3 2HE2 GLN 3 -24.458 13.600 -14.442 25 2HE2 GLN 3 1HE2 GLN 3 -22.915 14.299 -14.534 26 NH1 ARG 4 NH1 ARG 4 -12.649 15.186 -10.351 27 NH2 ARG 4 NH2 ARG 4 -12.124 13.310 -11.498 28 H ARG 4 H ARG 4 -18.315 13.788 -9.618 29 HA ARG 4 HA ARG 4 -16.770 11.671 -10.989 30 1HB ARG 4 2HB ARG 4 -16.385 12.847 -8.218 31 2HB ARG 4 1HB ARG 4 -15.231 11.855 -9.110 32 1HG ARG 4 2HG ARG 4 -16.136 14.672 -9.729 33 2HG ARG 4 1HG ARG 4 -14.497 14.094 -9.441 34 1HD ARG 4 2HD ARG 4 -15.124 12.539 -11.547 35 2HD ARG 4 1HD ARG 4 -16.161 13.920 -11.902 36 HE ARG 4 HE ARG 4 -14.172 14.906 -12.683 37 1HH1 ARG 4 2HH1 ARG 4 -13.285 15.932 -10.154 38 2HH1 ARG 4 1HH1 ARG 4 -11.776 15.133 -9.863 39 1HH2 ARG 4 1HH2 ARG 4 -12.361 12.619 -12.182 40 2HH2 ARG 4 2HH2 ARG 4 -11.252 13.257 -11.013 41 H ILE 5 H ILE 5 -17.662 9.658 -10.879 42 HA ILE 5 HA ILE 5 -18.629 8.722 -8.214 43 HB ILE 5 HB ILE 5 -19.990 7.675 -10.656 44 1HG1 ILE 5 2HG1 ILE 5 -19.897 10.186 -10.940 45 2HG1 ILE 5 1HG1 ILE 5 -21.529 9.535 -10.789 46 1HG2 ILE 5 3HG2 ILE 5 -20.467 6.843 -8.361 47 2HG2 ILE 5 2HG2 ILE 5 -20.981 8.467 -7.901 48 3HG2 ILE 5 1HG2 ILE 5 -21.888 7.566 -9.116 49 1HD1 ILE 5 1HD1 ILE 5 -20.823 10.010 -8.156 50 2HD1 ILE 5 3HD1 ILE 5 -20.076 11.359 -9.009 51 3HD1 ILE 5 2HD1 ILE 5 -21.809 11.077 -9.154 52 H THR 6 H THR 6 -17.959 6.624 -7.726 53 HA THR 6 HA THR 6 -15.871 5.488 -9.400 54 HB THR 6 HB THR 6 -17.060 3.783 -7.295 55 HG1 THR 6 HG1 THR 6 -15.704 6.151 -6.571 56 1HG2 THR 6 2HG2 THR 6 -14.450 4.494 -8.441 57 2HG2 THR 6 1HG2 THR 6 -14.425 4.307 -6.688 58 3HG2 THR 6 3HG2 THR 6 -14.982 2.981 -7.709 59 H LEU 7 H LEU 7 -15.961 3.437 -10.480 60 HA LEU 7 HA LEU 7 -18.322 2.909 -11.966 61 1HB LEU 7 2HB LEU 7 -16.187 2.138 -12.798 62 2HB LEU 7 1HB LEU 7 -15.912 1.174 -11.348 63 HG LEU 7 HG LEU 7 -18.058 -0.092 -11.977 64 1HD1 LEU 7 1HD1 LEU 7 -18.434 1.860 -13.785 65 2HD1 LEU 7 3HD1 LEU 7 -17.527 0.731 -14.791 66 3HD1 LEU 7 2HD1 LEU 7 -19.037 0.222 -14.035 67 1HD2 LEU 7 2HD2 LEU 7 -15.684 -0.907 -12.275 68 2HD2 LEU 7 1HD2 LEU 7 -16.837 -1.592 -13.419 69 3HD2 LEU 7 3HD2 LEU 7 -15.752 -0.300 -13.929 70 H LYS 8 H LYS 8 -17.381 1.976 -8.778 71 HA LYS 8 HA LYS 8 -19.294 -0.262 -8.657 72 1HB LYS 8 2HB LYS 8 -18.454 -0.605 -6.419 73 2HB LYS 8 1HB LYS 8 -17.071 -0.284 -7.467 74 1HG LYS 8 2HG LYS 8 -16.496 1.437 -6.146 75 2HG LYS 8 1HG LYS 8 -18.016 2.234 -6.555 76 1HD LYS 8 2HD LYS 8 -19.076 0.704 -4.759 77 2HD LYS 8 1HD LYS 8 -17.421 0.420 -4.218 78 1HE LYS 8 2HE LYS 8 -17.122 2.616 -3.530 79 2HE LYS 8 1HE LYS 8 -18.321 3.243 -4.662 80 1HZ LYS 8 3HZ LYS 8 -19.501 1.427 -2.827 81 2HZ LYS 8 2HZ LYS 8 -18.700 2.673 -1.996 82 3HZ LYS 8 1HZ LYS 8 -19.900 3.046 -3.139 83 H ASP 9 H ASP 9 -19.166 3.134 -7.829 84 HA ASP 9 HA ASP 9 -21.489 2.964 -6.046 85 1HB ASP 9 2HB ASP 9 -19.507 4.966 -6.767 86 2HB ASP 9 1HB ASP 9 -21.136 5.642 -6.793 87 OH TYR 10 OH TYR 10 -25.436 4.402 -16.036 88 H TYR 10 H TYR 10 -20.842 3.912 -9.384 89 HA TYR 10 HA TYR 10 -23.594 4.790 -9.830 90 1HB TYR 10 2HB TYR 10 -21.976 5.878 -11.191 91 2HB TYR 10 1HB TYR 10 -21.189 4.358 -11.610 92 HD1 TYR 10 HD2 TYR 10 -24.838 5.163 -11.582 93 HD2 TYR 10 HD1 TYR 10 -21.382 4.249 -13.961 94 HE1 TYR 10 HE2 TYR 10 -26.274 4.974 -13.595 95 HE2 TYR 10 HE1 TYR 10 -22.816 4.063 -15.975 96 HH TYR 10 HH TYR 10 -24.864 4.285 -16.798 97 H ALA 11 H ALA 11 -21.662 1.896 -10.364 98 HA ALA 11 HA ALA 11 -23.737 0.535 -11.894 99 1HB ALA 11 3HB ALA 11 -21.311 0.025 -12.146 100 2HB ALA 11 2HB ALA 11 -21.300 -0.615 -10.503 101 3HB ALA 11 1HB ALA 11 -22.263 -1.406 -11.752 102 H MET 12 H MET 12 -22.814 0.711 -8.475 103 HA MET 12 HA MET 12 -24.657 -1.506 -7.818 104 1HB MET 12 2HB MET 12 -22.805 0.215 -6.170 105 2HB MET 12 1HB MET 12 -23.948 -0.903 -5.431 106 1HG MET 12 2HG MET 12 -22.433 -2.135 -7.609 107 2HG MET 12 1HG MET 12 -21.395 -1.552 -6.308 108 1HE MET 12 2HE MET 12 -20.694 -3.715 -6.422 109 2HE MET 12 1HE MET 12 -20.846 -4.257 -4.753 110 3HE MET 12 3HE MET 12 -21.563 -5.205 -6.063 111 NH1 ARG 13 NH2 ARG 13 -25.153 3.824 -1.258 112 NH2 ARG 13 NH1 ARG 13 -26.114 5.743 -1.964 113 H ARG 13 H ARG 13 -24.473 2.007 -7.427 114 HA ARG 13 HA ARG 13 -26.974 2.087 -5.908 115 1HB ARG 13 2HB ARG 13 -25.315 4.300 -7.154 116 2HB ARG 13 1HB ARG 13 -26.710 4.556 -6.105 117 1HG ARG 13 2HG ARG 13 -25.483 3.073 -4.397 118 2HG ARG 13 1HG ARG 13 -24.053 3.306 -5.403 119 1HD ARG 13 2HD ARG 13 -24.012 5.631 -5.018 120 2HD ARG 13 1HD ARG 13 -25.690 5.662 -4.475 121 HE ARG 13 HE ARG 13 -23.360 4.852 -2.854 122 1HH1 ARG 13 1HH2 ARG 13 -24.450 3.120 -1.356 123 2HH1 ARG 13 2HH2 ARG 13 -25.826 3.760 -0.520 124 1HH2 ARG 13 2HH1 ARG 13 -26.146 6.511 -2.603 125 2HH2 ARG 13 1HH1 ARG 13 -26.785 5.677 -1.226 126 H PHE 14 H PHE 14 -26.082 2.134 -9.262 127 HA PHE 14 HA PHE 14 -28.878 2.971 -9.916 128 1HB PHE 14 2HB PHE 14 -26.447 3.203 -11.707 129 2HB PHE 14 1HB PHE 14 -28.057 3.853 -12.013 130 HD1 PHE 14 HD2 PHE 14 -25.382 3.945 -9.374 131 HD2 PHE 14 HD1 PHE 14 -28.485 6.073 -11.449 132 HE1 PHE 14 HE2 PHE 14 -24.802 6.009 -8.127 133 HE2 PHE 14 HE1 PHE 14 -27.905 8.135 -10.201 134 HZ PHE 14 HZ PHE 14 -26.064 8.103 -8.541 135 H GLY 15 H GLY 15 -26.271 0.695 -10.630 136 1HA GLY 15 2HA GLY 15 -27.392 -1.650 -10.950 137 2HA GLY 15 1HA GLY 15 -28.157 -0.864 -12.332 138 H GLN 16 H GLN 16 -25.843 -2.981 -11.760 139 HA GLN 16 HA GLN 16 -23.525 -1.920 -13.085 140 1HB GLN 16 2HB GLN 16 -24.510 -4.755 -12.670 141 2HB GLN 16 1HB GLN 16 -22.955 -4.372 -13.410 142 1HG GLN 16 2HG GLN 16 -22.022 -3.978 -11.399 143 2HG GLN 16 1HG GLN 16 -23.316 -2.860 -10.965 144 1HE2 GLN 16 2HE2 GLN 16 -23.726 -5.512 -8.491 145 2HE2 GLN 16 1HE2 GLN 16 -22.749 -4.154 -8.782 146 H THR 17 H THR 17 -26.475 -3.461 -14.232 147 HA THR 17 HA THR 17 -25.573 -3.924 -16.930 148 HB THR 17 HB THR 17 -28.389 -3.461 -15.893 149 HG1 THR 17 HG1 THR 17 -27.098 -5.907 -16.470 150 1HG2 THR 17 2HG2 THR 17 -27.300 -4.599 -18.476 151 2HG2 THR 17 1HG2 THR 17 -28.967 -4.827 -17.946 152 3HG2 THR 17 3HG2 THR 17 -28.361 -3.203 -18.280 153 H LYS 18 H LYS 18 -26.923 -1.147 -15.245 154 HA LYS 18 HA LYS 18 -27.415 0.392 -17.666 155 1HB LYS 18 2HB LYS 18 -27.152 1.242 -14.766 156 2HB LYS 18 1HB LYS 18 -27.677 2.299 -16.078 157 1HG LYS 18 2HG LYS 18 -29.690 1.159 -16.372 158 2HG LYS 18 1HG LYS 18 -29.069 -0.327 -15.652 159 1HD LYS 18 2HD LYS 18 -29.385 0.424 -13.485 160 2HD LYS 18 1HD LYS 18 -29.222 2.121 -13.938 161 1HE LYS 18 2HE LYS 18 -31.544 1.742 -13.417 162 2HE LYS 18 1HE LYS 18 -31.421 1.911 -15.167 163 1HZ LYS 18 2HZ LYS 18 -31.333 -0.528 -15.318 164 2HZ LYS 18 1HZ LYS 18 -31.586 -0.630 -13.641 165 3HZ LYS 18 3HZ LYS 18 -32.788 0.030 -14.640 166 H THR 19 H THR 19 -24.764 0.056 -15.361 167 HA THR 19 HA THR 19 -23.221 2.280 -16.322 168 HB THR 19 HB THR 19 -22.285 -0.282 -14.989 169 HG1 THR 19 HG1 THR 19 -22.229 1.377 -13.200 170 1HG2 THR 19 1HG2 THR 19 -20.950 2.308 -15.703 171 2HG2 THR 19 3HG2 THR 19 -20.464 1.470 -14.229 172 3HG2 THR 19 2HG2 THR 19 -20.317 0.665 -15.792 173 H ALA 20 H ALA 20 -23.333 -1.159 -17.228 174 HA ALA 20 HA ALA 20 -21.174 -0.914 -19.159 175 1HB ALA 20 2HB ALA 20 -23.313 -3.020 -18.738 176 2HB ALA 20 1HB ALA 20 -22.043 -3.154 -19.954 177 3HB ALA 20 3HB ALA 20 -21.621 -3.101 -18.243 178 H LYS 21 H LYS 21 -24.547 -0.188 -19.169 179 HA LYS 21 HA LYS 21 -24.900 -0.400 -22.057 180 1HB LYS 21 2HB LYS 21 -26.532 0.328 -19.727 181 2HB LYS 21 1HB LYS 21 -26.879 1.304 -21.155 182 1HG LYS 21 2HG LYS 21 -28.272 -0.755 -21.068 183 2HG LYS 21 1HG LYS 21 -27.229 -0.716 -22.490 184 1HD LYS 21 2HD LYS 21 -25.605 -1.939 -20.643 185 2HD LYS 21 1HD LYS 21 -27.195 -2.555 -20.188 186 1HE LYS 21 2HE LYS 21 -26.306 -2.533 -23.068 187 2HE LYS 21 1HE LYS 21 -25.868 -3.860 -21.993 188 1HZ LYS 21 2HZ LYS 21 -28.568 -3.356 -21.601 189 2HZ LYS 21 1HZ LYS 21 -28.327 -3.373 -23.283 190 3HZ LYS 21 3HZ LYS 21 -27.865 -4.711 -22.348 191 H ASP 22 H ASP 22 -24.061 2.143 -19.763 192 HA ASP 22 HA ASP 22 -24.183 4.239 -21.807 193 1HB ASP 22 2HB ASP 22 -24.336 4.272 -19.078 194 2HB ASP 22 1HB ASP 22 -22.661 4.761 -19.330 195 H LEU 23 H LEU 23 -21.744 2.178 -20.337 196 HA LEU 23 HA LEU 23 -19.566 3.627 -21.709 197 1HB LEU 23 2HB LEU 23 -19.655 1.272 -19.816 198 2HB LEU 23 1HB LEU 23 -18.169 1.755 -20.637 199 HG LEU 23 HG LEU 23 -19.559 4.030 -19.437 200 1HD1 LEU 23 1HD1 LEU 23 -19.894 1.825 -17.907 201 2HD1 LEU 23 3HD1 LEU 23 -18.290 2.321 -17.366 202 3HD1 LEU 23 2HD1 LEU 23 -19.651 3.435 -17.228 203 1HD2 LEU 23 3HD2 LEU 23 -16.888 3.029 -19.946 204 2HD2 LEU 23 2HD2 LEU 23 -17.412 4.685 -19.633 205 3HD2 LEU 23 1HD2 LEU 23 -17.022 3.614 -18.287 206 H GLY 24 H GLY 24 -21.738 1.094 -22.368 207 1HA GLY 24 2HA GLY 24 -21.933 -0.157 -24.363 208 2HA GLY 24 1HA GLY 24 -20.411 0.547 -24.910 209 H VAL 25 H VAL 25 -20.300 -0.818 -21.763 210 HA VAL 25 HA VAL 25 -18.578 -2.984 -22.804 211 HB VAL 25 HB VAL 25 -19.034 -2.874 -19.895 212 1HG1 VAL 25 3HG1 VAL 25 -16.664 -2.871 -21.776 213 2HG1 VAL 25 2HG1 VAL 25 -16.487 -2.781 -20.023 214 3HG1 VAL 25 1HG1 VAL 25 -17.239 -4.194 -20.762 215 1HG2 VAL 25 1HG2 VAL 25 -17.909 -0.495 -21.404 216 2HG2 VAL 25 3HG2 VAL 25 -19.241 -0.496 -20.248 217 3HG2 VAL 25 2HG2 VAL 25 -17.593 -0.791 -19.694 218 OH TYR 26 OH TYR 26 -16.050 -6.032 -25.352 219 H TYR 26 H TYR 26 -18.890 -5.019 -21.050 220 HA TYR 26 HA TYR 26 -21.734 -5.843 -21.482 221 1HB TYR 26 2HB TYR 26 -19.827 -8.003 -20.936 222 2HB TYR 26 1HB TYR 26 -21.011 -7.857 -22.232 223 HD1 TYR 26 HD1 TYR 26 -20.448 -6.659 -24.328 224 HD2 TYR 26 HD2 TYR 26 -17.538 -7.276 -21.228 225 HE1 TYR 26 HE1 TYR 26 -18.632 -6.082 -25.916 226 HE2 TYR 26 HE2 TYR 26 -15.723 -6.700 -22.815 227 HH TYR 26 HH TYR 26 -16.406 -6.082 -26.241 228 H GLN 27 H GLN 27 -22.402 -7.610 -19.837 229 HA GLN 27 HA GLN 27 -22.164 -6.495 -17.185 230 1HB GLN 27 2HB GLN 27 -23.130 -9.288 -17.813 231 2HB GLN 27 1HB GLN 27 -23.648 -8.219 -16.509 232 1HG GLN 27 2HG GLN 27 -25.274 -7.391 -17.823 233 2HG GLN 27 1HG GLN 27 -24.061 -6.849 -18.984 234 1HE2 GLN 27 2HE2 GLN 27 -25.377 -9.142 -21.312 235 2HE2 GLN 27 1HE2 GLN 27 -24.936 -7.539 -20.974 236 H SER 28 H SER 28 -20.347 -8.851 -18.971 237 HA SER 28 HA SER 28 -19.176 -10.092 -16.584 238 1HB SER 28 2HB SER 28 -19.484 -11.026 -19.077 239 2HB SER 28 1HB SER 28 -17.876 -10.329 -19.261 240 HG SER 28 HG SER 28 -17.155 -11.611 -17.591 241 H ALA 29 H ALA 29 -18.574 -7.318 -18.545 242 HA ALA 29 HA ALA 29 -15.742 -7.129 -17.742 243 1HB ALA 29 2HB ALA 29 -17.403 -5.962 -19.781 244 2HB ALA 29 1HB ALA 29 -16.663 -4.672 -18.834 245 3HB ALA 29 3HB ALA 29 -15.649 -5.882 -19.618 246 H ILE 30 H ILE 30 -18.858 -5.650 -17.013 247 HA ILE 30 HA ILE 30 -17.784 -3.687 -15.169 248 HB ILE 30 HB ILE 30 -20.554 -4.809 -15.652 249 1HG1 ILE 30 2HG1 ILE 30 -19.578 -3.302 -17.373 250 2HG1 ILE 30 1HG1 ILE 30 -20.965 -2.569 -16.570 251 1HG2 ILE 30 3HG2 ILE 30 -19.631 -2.716 -13.670 252 2HG2 ILE 30 2HG2 ILE 30 -21.311 -2.915 -14.169 253 3HG2 ILE 30 1HG2 ILE 30 -20.483 -4.219 -13.317 254 1HD1 ILE 30 1HD1 ILE 30 -19.369 -1.401 -15.019 255 2HD1 ILE 30 3HD1 ILE 30 -18.040 -2.025 -15.994 256 3HD1 ILE 30 2HD1 ILE 30 -19.203 -0.908 -16.704 257 H ASN 31 H ASN 31 -18.977 -6.992 -14.939 258 HA ASN 31 HA ASN 31 -19.009 -7.054 -12.033 259 1HB ASN 31 2HB ASN 31 -20.361 -8.636 -13.341 260 2HB ASN 31 1HB ASN 31 -18.900 -9.302 -14.071 261 1HD2 ASN 31 2HD2 ASN 31 -19.429 -11.662 -11.376 262 2HD2 ASN 31 1HD2 ASN 31 -19.905 -11.355 -12.976 263 H LYS 32 H LYS 32 -16.708 -8.013 -14.567 264 HA LYS 32 HA LYS 32 -14.766 -9.173 -12.814 265 1HB LYS 32 2HB LYS 32 -14.648 -7.969 -15.573 266 2HB LYS 32 1HB LYS 32 -13.171 -8.477 -14.754 267 1HG LYS 32 2HG LYS 32 -13.987 -10.741 -14.541 268 2HG LYS 32 1HG LYS 32 -15.579 -10.273 -15.140 269 1HD LYS 32 2HD LYS 32 -14.914 -10.416 -17.293 270 2HD LYS 32 1HD LYS 32 -13.445 -9.491 -16.973 271 1HE LYS 32 2HE LYS 32 -13.430 -12.205 -15.830 272 2HE LYS 32 1HE LYS 32 -13.494 -12.165 -17.592 273 1HZ LYS 32 2HZ LYS 32 -11.661 -10.240 -16.607 274 2HZ LYS 32 1HZ LYS 32 -11.278 -11.781 -16.002 275 3HZ LYS 32 3HZ LYS 32 -11.388 -11.532 -17.675 276 H ALA 33 H ALA 33 -15.308 -5.867 -13.958 277 HA ALA 33 HA ALA 33 -12.947 -4.703 -12.853 278 1HB ALA 33 3HB ALA 33 -15.259 -3.782 -14.193 279 2HB ALA 33 2HB ALA 33 -15.199 -2.903 -12.665 280 3HB ALA 33 1HB ALA 33 -13.827 -2.842 -13.772 281 H ILE 34 H ILE 34 -16.177 -5.243 -11.493 282 HA ILE 34 HA ILE 34 -15.540 -4.035 -8.933 283 HB ILE 34 HB ILE 34 -17.746 -5.901 -9.841 284 1HG1 ILE 34 2HG1 ILE 34 -17.939 -3.681 -10.773 285 2HG1 ILE 34 1HG1 ILE 34 -19.104 -3.800 -9.454 286 1HG2 ILE 34 2HG2 ILE 34 -17.077 -4.775 -7.135 287 2HG2 ILE 34 1HG2 ILE 34 -18.764 -5.027 -7.586 288 3HG2 ILE 34 3HG2 ILE 34 -17.646 -6.390 -7.558 289 1HD1 ILE 34 3HD1 ILE 34 -17.229 -2.821 -7.967 290 2HD1 ILE 34 2HD1 ILE 34 -16.446 -2.373 -9.482 291 3HD1 ILE 34 1HD1 ILE 34 -18.037 -1.722 -9.086 292 H HIS 35 H HIS 35 -15.032 -7.133 -10.393 293 HA HIS 35 HA HIS 35 -14.713 -8.618 -7.916 294 1HB HIS 35 2HB HIS 35 -14.085 -9.130 -10.816 295 2HB HIS 35 1HB HIS 35 -13.465 -10.217 -9.573 296 HD1 HIS 35 HD1 HIS 35 -15.386 -11.600 -11.292 297 HD2 HIS 35 HD2 HIS 35 -16.719 -9.231 -8.133 298 HE1 HIS 35 HE1 HIS 35 -17.735 -12.378 -10.756 299 H ALA 36 H ALA 36 -12.595 -6.805 -10.077 300 HA ALA 36 HA ALA 36 -10.142 -7.680 -8.777 301 1HB ALA 36 1HB ALA 36 -10.517 -6.641 -11.170 302 2HB ALA 36 3HB ALA 36 -10.358 -5.108 -10.314 303 3HB ALA 36 2HB ALA 36 -9.038 -6.275 -10.282 304 H GLY 37 H GLY 37 -12.616 -5.475 -7.984 305 1HA GLY 37 2HA GLY 37 -12.751 -3.735 -6.401 306 2HA GLY 37 1HA GLY 37 -11.675 -4.775 -5.464 307 NH1 ARG 38 NH1 ARG 38 -6.143 -3.395 -12.647 308 NH2 ARG 38 NH2 ARG 38 -7.768 -3.855 -14.149 309 H ARG 38 H ARG 38 -10.709 -3.453 -8.564 310 HA ARG 38 HA ARG 38 -8.410 -2.161 -7.291 311 1HB ARG 38 2HB ARG 38 -7.681 -1.670 -9.556 312 2HB ARG 38 1HB ARG 38 -8.264 -3.333 -9.506 313 1HG ARG 38 2HG ARG 38 -10.572 -2.142 -10.139 314 2HG ARG 38 1HG ARG 38 -9.473 -0.938 -10.813 315 1HD ARG 38 2HD ARG 38 -9.131 -3.880 -11.395 316 2HD ARG 38 1HD ARG 38 -10.197 -2.867 -12.369 317 HE ARG 38 HE ARG 38 -7.975 -1.402 -12.541 318 1HH1 ARG 38 2HH1 ARG 38 -5.826 -2.897 -11.839 319 2HH1 ARG 38 1HH1 ARG 38 -5.533 -4.039 -13.108 320 1HH2 ARG 38 1HH2 ARG 38 -8.696 -3.709 -14.493 321 2HH2 ARG 38 2HH2 ARG 38 -7.158 -4.497 -14.613 322 H LYS 39 H LYS 39 -7.933 0.168 -8.382 323 HA LYS 39 HA LYS 39 -10.110 1.879 -7.397 324 1HB LYS 39 2HB LYS 39 -7.244 2.189 -8.047 325 2HB LYS 39 1HB LYS 39 -8.242 3.601 -8.390 326 1HG LYS 39 2HG LYS 39 -7.358 3.667 -6.079 327 2HG LYS 39 1HG LYS 39 -9.118 3.556 -6.089 328 1HD LYS 39 2HD LYS 39 -8.900 1.067 -5.816 329 2HD LYS 39 1HD LYS 39 -7.159 1.287 -5.633 330 1HE LYS 39 2HE LYS 39 -7.443 2.587 -3.640 331 2HE LYS 39 1HE LYS 39 -9.181 2.724 -3.898 332 1HZ LYS 39 3HZ LYS 39 -7.803 0.131 -3.499 333 2HZ LYS 39 2HZ LYS 39 -8.473 1.029 -2.223 334 3HZ LYS 39 1HZ LYS 39 -9.471 0.435 -3.464 335 H ILE 40 H ILE 40 -11.631 1.234 -9.093 336 HA ILE 40 HA ILE 40 -11.038 2.389 -11.774 337 HB ILE 40 HB ILE 40 -13.495 0.822 -10.938 338 1HG1 ILE 40 2HG1 ILE 40 -10.905 -0.193 -12.155 339 2HG1 ILE 40 1HG1 ILE 40 -11.479 -0.537 -10.522 340 1HG2 ILE 40 1HG2 ILE 40 -12.348 1.878 -13.480 341 2HG2 ILE 40 3HG2 ILE 40 -13.134 0.300 -13.546 342 3HG2 ILE 40 2HG2 ILE 40 -14.036 1.711 -12.992 343 1HD1 ILE 40 2HD1 ILE 40 -13.171 -1.168 -12.939 344 2HD1 ILE 40 1HD1 ILE 40 -11.961 -2.306 -12.349 345 3HD1 ILE 40 3HD1 ILE 40 -13.300 -1.826 -11.308 346 H PHE 41 H PHE 41 -11.461 4.547 -11.733 347 HA PHE 41 HA PHE 41 -13.802 5.515 -10.193 348 1HB PHE 41 2HB PHE 41 -11.714 7.158 -11.644 349 2HB PHE 41 1HB PHE 41 -12.800 7.686 -10.356 350 HD1 PHE 41 HD2 PHE 41 -12.624 5.236 -8.587 351 HD2 PHE 41 HD1 PHE 41 -9.572 7.505 -10.593 352 HE1 PHE 41 HE2 PHE 41 -10.973 4.526 -6.883 353 HE2 PHE 41 HE1 PHE 41 -7.924 6.790 -8.884 354 HZ PHE 41 HZ PHE 41 -8.624 5.302 -7.031 355 H LEU 42 H LEU 42 -15.294 7.055 -11.250 356 HA LEU 42 HA LEU 42 -15.480 6.621 -14.207 357 1HB LEU 42 2HB LEU 42 -17.260 5.697 -12.212 358 2HB LEU 42 1HB LEU 42 -18.067 7.055 -12.994 359 HG LEU 42 HG LEU 42 -17.625 6.018 -15.207 360 1HD1 LEU 42 2HD1 LEU 42 -15.638 4.654 -14.008 361 2HD1 LEU 42 1HD1 LEU 42 -16.912 3.440 -13.897 362 3HD1 LEU 42 3HD1 LEU 42 -16.431 4.068 -15.471 363 1HD2 LEU 42 2HD2 LEU 42 -19.200 4.697 -13.049 364 2HD2 LEU 42 1HD2 LEU 42 -19.751 5.402 -14.569 365 3HD2 LEU 42 3HD2 LEU 42 -19.007 3.802 -14.557 366 H THR 43 H THR 43 -14.688 8.680 -14.739 367 HA THR 43 HA THR 43 -15.846 11.073 -13.475 368 HB THR 43 HB THR 43 -13.736 10.599 -15.586 369 HG1 THR 43 HG1 THR 43 -12.598 10.746 -13.850 370 1HG2 THR 43 3HG2 THR 43 -14.880 13.269 -14.713 371 2HG2 THR 43 2HG2 THR 43 -13.469 13.048 -15.747 372 3HG2 THR 43 1HG2 THR 43 -15.063 12.546 -16.312 373 H ILE 44 H ILE 44 -17.956 11.404 -14.123 374 HA ILE 44 HA ILE 44 -18.655 10.952 -16.964 375 HB ILE 44 HB ILE 44 -20.502 11.888 -14.761 376 1HG1 ILE 44 2HG1 ILE 44 -20.641 9.051 -15.384 377 2HG1 ILE 44 1HG1 ILE 44 -19.045 9.489 -14.772 378 1HG2 ILE 44 2HG2 ILE 44 -21.158 11.951 -17.237 379 2HG2 ILE 44 1HG2 ILE 44 -21.084 10.190 -17.195 380 3HG2 ILE 44 3HG2 ILE 44 -22.235 11.048 -16.171 381 1HD1 ILE 44 3HD1 ILE 44 -20.671 10.893 -13.075 382 2HD1 ILE 44 2HD1 ILE 44 -21.646 9.455 -13.379 383 3HD1 ILE 44 1HD1 ILE 44 -20.017 9.293 -12.725 384 H ASN 45 H ASN 45 -18.286 12.655 -18.319 385 HA ASN 45 HA ASN 45 -17.830 15.329 -17.484 386 1HB ASN 45 2HB ASN 45 -18.197 13.929 -20.032 387 2HB ASN 45 1HB ASN 45 -18.793 15.590 -20.060 388 1HD2 ASN 45 2HD2 ASN 45 -14.790 14.896 -19.890 389 2HD2 ASN 45 1HD2 ASN 45 -15.901 13.613 -19.898 390 H ALA 46 H ALA 46 -19.164 17.127 -17.448 391 HA ALA 46 HA ALA 46 -21.744 16.930 -16.424 392 1HB ALA 46 3HB ALA 46 -20.211 19.087 -17.786 393 2HB ALA 46 2HB ALA 46 -21.950 19.325 -17.617 394 3HB ALA 46 1HB ALA 46 -20.953 19.071 -16.185 395 H ASP 47 H ASP 47 -20.777 16.511 -19.724 396 HA ASP 47 HA ASP 47 -23.470 17.012 -20.788 397 1HB ASP 47 2HB ASP 47 -20.907 15.970 -22.013 398 2HB ASP 47 1HB ASP 47 -22.418 16.086 -22.916 399 H GLY 48 H GLY 48 -23.138 14.915 -18.713 400 1HA GLY 48 2HA GLY 48 -23.907 12.739 -18.308 401 2HA GLY 48 1HA GLY 48 -24.811 12.902 -19.815 402 H SER 49 H SER 49 -21.375 13.337 -19.904 403 HA SER 49 HA SER 49 -21.157 10.897 -21.575 404 1HB SER 49 2HB SER 49 -19.993 13.419 -21.724 405 2HB SER 49 1HB SER 49 -18.689 12.402 -21.118 406 HG SER 49 HG SER 49 -20.325 11.806 -23.365 407 H VAL 50 H VAL 50 -19.721 9.170 -21.050 408 HA VAL 50 HA VAL 50 -19.003 9.066 -18.158 409 HB VAL 50 HB VAL 50 -18.751 6.667 -19.922 410 1HG1 VAL 50 3HG1 VAL 50 -18.248 6.742 -17.438 411 2HG1 VAL 50 2HG1 VAL 50 -19.968 7.029 -17.172 412 3HG1 VAL 50 1HG1 VAL 50 -19.430 5.523 -17.917 413 1HG2 VAL 50 2HG2 VAL 50 -21.233 8.206 -19.527 414 2HG2 VAL 50 1HG2 VAL 50 -20.868 6.943 -20.704 415 3HG2 VAL 50 3HG2 VAL 50 -21.363 6.508 -19.068 416 OH TYR 51 OH TYR 51 -9.383 10.584 -21.055 417 H TYR 51 H TYR 51 -16.877 8.899 -17.527 418 HA TYR 51 HA TYR 51 -14.809 8.353 -19.592 419 1HB TYR 51 2HB TYR 51 -15.242 10.888 -19.260 420 2HB TYR 51 1HB TYR 51 -14.502 10.667 -17.676 421 HD1 TYR 51 HD2 TYR 51 -12.855 8.229 -19.280 422 HD2 TYR 51 HD1 TYR 51 -13.206 12.505 -19.487 423 HE1 TYR 51 HE2 TYR 51 -10.605 8.364 -20.309 424 HE2 TYR 51 HE1 TYR 51 -10.955 12.640 -20.515 425 HH TYR 51 HH TYR 51 -9.456 10.286 -21.966 426 H ALA 52 H ALA 52 -14.873 6.329 -18.265 427 HA ALA 52 HA ALA 52 -14.052 6.470 -15.478 428 1HB ALA 52 2HB ALA 52 -15.344 4.588 -16.916 429 2HB ALA 52 1HB ALA 52 -13.705 3.941 -16.992 430 3HB ALA 52 3HB ALA 52 -14.469 4.222 -15.429 431 H GLU 53 H GLU 53 -12.041 6.053 -14.617 432 HA GLU 53 HA GLU 53 -9.790 5.632 -16.531 433 1HB GLU 53 2HB GLU 53 -10.198 7.810 -14.528 434 2HB GLU 53 1HB GLU 53 -8.568 7.159 -14.700 435 1HG GLU 53 2HG GLU 53 -8.755 7.527 -17.181 436 2HG GLU 53 1HG GLU 53 -10.291 8.345 -16.893 437 H GLU 54 H GLU 54 -7.987 4.506 -15.588 438 HA GLU 54 HA GLU 54 -8.736 2.990 -13.125 439 1HB GLU 54 2HB GLU 54 -8.253 1.774 -15.347 440 2HB GLU 54 1HB GLU 54 -6.568 2.233 -15.096 441 1HG GLU 54 2HG GLU 54 -7.215 1.233 -12.633 442 2HG GLU 54 1HG GLU 54 -8.197 0.214 -13.687 443 H VAL 55 H VAL 55 -7.598 3.498 -11.316 444 HA VAL 55 HA VAL 55 -4.808 4.475 -11.623 445 HB VAL 55 HB VAL 55 -6.088 5.923 -9.479 446 1HG1 VAL 55 3HG1 VAL 55 -3.995 6.512 -10.697 447 2HG1 VAL 55 2HG1 VAL 55 -4.956 6.845 -12.138 448 3HG1 VAL 55 1HG1 VAL 55 -5.162 7.834 -10.694 449 1HG2 VAL 55 2HG2 VAL 55 -8.123 5.539 -10.968 450 2HG2 VAL 55 1HG2 VAL 55 -7.713 7.230 -10.681 451 3HG2 VAL 55 3HG2 VAL 55 -7.286 6.466 -12.212 452 H LYS 56 H LYS 56 -4.058 2.531 -10.771 453 HA LYS 56 HA LYS 56 -4.505 2.211 -7.849 454 1HB LYS 56 2HB LYS 56 -6.020 0.588 -8.686 455 2HB LYS 56 1HB LYS 56 -4.925 0.113 -9.982 456 1HG LYS 56 2HG LYS 56 -4.100 -1.511 -8.664 457 2HG LYS 56 1HG LYS 56 -3.546 -0.294 -7.519 458 1HD LYS 56 2HD LYS 56 -5.197 -0.783 -6.062 459 2HD LYS 56 1HD LYS 56 -6.422 -0.719 -7.330 460 1HE LYS 56 2HE LYS 56 -6.389 -2.975 -6.462 461 2HE LYS 56 1HE LYS 56 -5.660 -3.009 -8.068 462 1HZ LYS 56 3HZ LYS 56 -3.810 -2.489 -5.911 463 2HZ LYS 56 2HZ LYS 56 -4.526 -4.029 -5.863 464 3HZ LYS 56 1HZ LYS 56 -3.664 -3.533 -7.240 465 HA PRO 57 HA PRO 57 -0.112 1.787 -8.079 466 1HB PRO 57 2HB PRO 57 0.281 1.040 -5.460 467 2HB PRO 57 1HB PRO 57 -0.042 2.705 -5.971 468 1HG PRO 57 2HG PRO 57 -1.868 0.767 -4.627 469 2HG PRO 57 1HG PRO 57 -1.885 2.538 -4.588 470 1HD PRO 57 2HD PRO 57 -3.595 0.907 -6.134 471 2HD PRO 57 1HD PRO 57 -3.358 2.655 -6.340 472 H PHE 58 H PHE 58 1.333 0.109 -8.462 473 HA PHE 58 HA PHE 58 0.239 -2.640 -8.319 474 1HB PHE 58 2HB PHE 58 1.594 -3.107 -10.122 475 2HB PHE 58 1HB PHE 58 1.551 -1.361 -10.312 476 HD1 PHE 58 HD1 PHE 58 3.301 -0.363 -8.217 477 HD2 PHE 58 HD2 PHE 58 3.741 -3.838 -10.705 478 HE1 PHE 58 HE1 PHE 58 5.762 -0.263 -7.920 479 HE2 PHE 58 HE2 PHE 58 6.202 -3.739 -10.409 480 HZ PHE 58 HZ PHE 58 7.212 -1.952 -9.016 481 HA PRO 59 HA PRO 59 1.775 -4.450 -8.956 482 1HB PRO 59 2HB PRO 59 1.936 -6.888 -7.707 483 2HB PRO 59 1HB PRO 59 3.332 -6.057 -8.412 484 1HG PRO 59 2HG PRO 59 2.597 -6.380 -5.542 485 2HG PRO 59 1HG PRO 59 4.193 -6.135 -6.271 486 1HD PRO 59 2HD PRO 59 2.629 -4.155 -4.980 487 2HD PRO 59 1HD PRO 59 4.073 -3.868 -5.975 488 H SER 60 H SER 60 0.000 -6.249 -9.144 489 HA SER 60 HA SER 60 -2.375 -5.290 -7.722 490 1HB SER 60 2HB SER 60 -2.374 -5.980 -10.154 491 2HB SER 60 1HB SER 60 -2.143 -7.644 -9.621 492 HG SER 60 HG SER 60 -4.236 -5.995 -8.658 493 H ASN 61 H ASN 61 -3.867 -6.948 -6.681 494 HA ASN 61 HA ASN 61 -2.397 -9.237 -5.481 495 1HB ASN 61 2HB ASN 61 -3.192 -8.627 -3.226 496 2HB ASN 61 1HB ASN 61 -2.166 -7.358 -3.894 497 1HD2 ASN 61 2HD2 ASN 61 -4.834 -4.999 -4.209 498 2HD2 ASN 61 1HD2 ASN 61 -3.279 -5.399 -4.762 499 H LYS 62 H LYS 62 -3.994 -10.677 -4.248 500 HA LYS 62 HA LYS 62 -5.968 -11.942 -4.253 501 1HB LYS 62 2HB LYS 62 -6.762 -9.185 -4.291 502 2HB LYS 62 1HB LYS 62 -7.861 -10.105 -5.318 503 1HG LYS 62 2HG LYS 62 -8.910 -10.782 -3.441 504 2HG LYS 62 1HG LYS 62 -7.465 -11.720 -3.057 505 1HD LYS 62 2HD LYS 62 -6.723 -9.181 -2.292 506 2HD LYS 62 1HD LYS 62 -8.436 -9.211 -1.871 507 1HE LYS 62 2HE LYS 62 -8.081 -10.625 -0.147 508 2HE LYS 62 1HE LYS 62 -7.090 -11.695 -1.139 509 1HZ LYS 62 3HZ LYS 62 -5.339 -9.851 -0.896 510 2HZ LYS 62 2HZ LYS 62 -6.276 -9.332 0.423 511 3HZ LYS 62 1HZ LYS 62 -5.604 -10.893 0.415 512 H LYS 63 H LYS 63 -4.264 -11.839 -6.634 513 HA LYS 63 HA LYS 63 -6.070 -11.802 -8.940 514 1HB LYS 63 2HB LYS 63 -4.055 -12.599 -10.180 515 2HB LYS 63 1HB LYS 63 -3.740 -11.136 -9.248 516 1HG LYS 63 2HG LYS 63 -2.603 -12.344 -7.540 517 2HG LYS 63 1HG LYS 63 -3.197 -13.894 -8.140 518 1HD LYS 63 2HD LYS 63 -1.439 -12.089 -9.811 519 2HD LYS 63 1HD LYS 63 -0.773 -13.313 -8.729 520 1HE LYS 63 2HE LYS 63 -1.686 -15.085 -9.960 521 2HE LYS 63 1HE LYS 63 -2.912 -14.061 -10.707 522 1HZ LYS 63 2HZ LYS 63 -0.379 -13.057 -11.362 523 2HZ LYS 63 1HZ LYS 63 -0.387 -14.724 -11.695 524 3HZ LYS 63 3HZ LYS 63 -1.553 -13.713 -12.400 525 H THR 64 H THR 64 -4.585 -14.225 -6.836 526 HA THR 64 HA THR 64 -5.931 -16.367 -8.416 527 HB THR 64 HB THR 64 -4.499 -17.689 -6.506 528 HG1 THR 64 HG1 THR 64 -2.862 -16.535 -5.858 529 1HG2 THR 64 2HG2 THR 64 -4.488 -17.522 -9.204 530 2HG2 THR 64 1HG2 THR 64 -2.927 -16.779 -8.853 531 3HG2 THR 64 3HG2 THR 64 -3.271 -18.416 -8.292 532 H THR 65 H THR 65 -8.063 -15.866 -7.572 533 HA THR 65 HA THR 65 -8.444 -16.221 -4.654 534 HB THR 65 HB THR 65 -10.680 -15.771 -6.615 535 HG1 THR 65 HG1 THR 65 -10.041 -13.441 -5.908 536 1HG2 THR 65 3HG2 THR 65 -10.572 -16.030 -3.889 537 2HG2 THR 65 2HG2 THR 65 -10.490 -14.279 -4.082 538 3HG2 THR 65 1HG2 THR 65 -11.847 -15.177 -4.761 539 H ALA 66 HN ALA 66 -9.174 -18.129 -3.811 540 HA ALA 66 HA ALA 66 -9.583 -20.400 -5.611 541 1HB ALA 66 2HB ALA 66 -9.727 -20.125 -2.595 542 2HB ALA 66 1HB ALA 66 -9.953 -21.651 -3.451 543 3HB ALA 66 3HB ALA 66 -8.404 -20.812 -3.538 544 1H MET 1 3H MET 1 5.305 17.840 -8.002 545 2H MET 1 2H MET 1 4.791 19.196 -8.888 546 3H MET 1 1H MET 1 4.898 17.678 -9.641 547 HA MET 1 HA MET 1 6.849 18.509 -10.382 548 1HB MET 1 2HB MET 1 6.455 20.320 -8.066 549 2HB MET 1 1HB MET 1 8.130 20.036 -8.537 550 1HG MET 1 2HG MET 1 7.349 20.523 -10.945 551 2HG MET 1 1HG MET 1 5.889 21.178 -10.205 552 1HE MET 1 1HE MET 1 6.451 22.305 -7.734 553 2HE MET 1 3HE MET 1 7.175 23.914 -7.856 554 3HE MET 1 2HE MET 1 5.786 23.490 -8.854 555 H GLU 2 H GLU 2 6.650 16.042 -9.331 556 HA GLU 2 HA GLU 2 9.001 15.790 -7.495 557 1HB GLU 2 2HB GLU 2 6.618 13.960 -7.915 558 2HB GLU 2 1HB GLU 2 8.024 13.540 -6.933 559 1HG GLU 2 2HG GLU 2 6.274 15.976 -6.480 560 2HG GLU 2 1HG GLU 2 6.154 14.469 -5.569 561 H GLN 3 H GLN 3 9.997 13.432 -7.847 562 HA GLN 3 HA GLN 3 11.001 13.403 -10.574 563 1HB GLN 3 2HB GLN 3 11.652 12.141 -8.033 564 2HB GLN 3 1HB GLN 3 11.729 10.986 -9.363 565 1HG GLN 3 2HG GLN 3 13.827 11.849 -9.636 566 2HG GLN 3 1HG GLN 3 12.963 13.116 -10.508 567 1HE2 GLN 3 2HE2 GLN 3 13.008 15.239 -7.443 568 2HE2 GLN 3 1HE2 GLN 3 11.802 14.595 -8.448 569 NH1 ARG 4 NH1 ARG 4 3.482 11.777 -9.806 570 NH2 ARG 4 NH2 ARG 4 2.326 12.199 -11.701 571 H ARG 4 H ARG 4 9.591 12.719 -12.147 572 HA ARG 4 HA ARG 4 7.984 10.266 -11.565 573 1HB ARG 4 2HB ARG 4 7.486 12.692 -13.259 574 2HB ARG 4 1HB ARG 4 6.732 11.163 -13.710 575 1HG ARG 4 2HG ARG 4 6.549 12.353 -10.930 576 2HG ARG 4 1HG ARG 4 5.330 12.609 -12.178 577 1HD ARG 4 2HD ARG 4 5.879 9.817 -12.094 578 2HD ARG 4 1HD ARG 4 5.639 10.356 -10.432 579 HE ARG 4 HE ARG 4 3.557 10.045 -12.338 580 1HH1 ARG 4 2HH1 ARG 4 4.202 11.277 -9.323 581 2HH1 ARG 4 1HH1 ARG 4 2.931 12.454 -9.318 582 1HH2 ARG 4 1HH2 ARG 4 2.161 12.023 -12.672 583 2HH2 ARG 4 2HH2 ARG 4 1.773 12.875 -11.214 584 H ILE 5 H ILE 5 9.324 8.622 -12.269 585 HA ILE 5 HA ILE 5 10.140 8.739 -15.141 586 HB ILE 5 HB ILE 5 11.765 6.998 -13.392 587 1HG1 ILE 5 2HG1 ILE 5 11.468 8.916 -11.868 588 2HG1 ILE 5 1HG1 ILE 5 13.114 8.880 -12.500 589 1HG2 ILE 5 3HG2 ILE 5 11.958 7.916 -15.923 590 2HG2 ILE 5 2HG2 ILE 5 12.910 9.148 -15.098 591 3HG2 ILE 5 1HG2 ILE 5 13.366 7.450 -14.969 592 1HD1 ILE 5 3HD1 ILE 5 11.506 10.370 -14.330 593 2HD1 ILE 5 2HD1 ILE 5 11.193 10.987 -12.707 594 3HD1 ILE 5 1HD1 ILE 5 12.841 10.948 -13.335 595 H THR 6 H THR 6 9.381 7.018 -16.312 596 HA THR 6 HA THR 6 7.490 5.198 -15.292 597 HB THR 6 HB THR 6 9.232 4.297 -17.547 598 HG1 THR 6 HG1 THR 6 8.803 5.976 -18.744 599 1HG2 THR 6 3HG2 THR 6 7.029 3.238 -16.729 600 2HG2 THR 6 2HG2 THR 6 6.237 4.644 -17.440 601 3HG2 THR 6 1HG2 THR 6 7.176 3.554 -18.459 602 H LEU 7 H LEU 7 7.650 2.934 -14.764 603 HA LEU 7 HA LEU 7 9.780 2.208 -13.044 604 1HB LEU 7 2HB LEU 7 7.753 1.000 -12.784 605 2HB LEU 7 1HB LEU 7 7.672 0.602 -14.498 606 HG LEU 7 HG LEU 7 9.740 -0.790 -14.214 607 1HD1 LEU 7 2HD1 LEU 7 10.215 0.577 -11.979 608 2HD1 LEU 7 1HD1 LEU 7 9.295 -0.743 -11.257 609 3HD1 LEU 7 3HD1 LEU 7 10.768 -1.087 -12.164 610 1HD2 LEU 7 3HD2 LEU 7 7.072 -1.344 -13.410 611 2HD2 LEU 7 2HD2 LEU 7 8.294 -2.496 -13.946 612 3HD2 LEU 7 1HD2 LEU 7 8.130 -2.120 -12.230 613 H LYS 8 H LYS 8 9.619 2.220 -16.474 614 HA LYS 8 HA LYS 8 11.763 0.216 -16.777 615 1HB LYS 8 2HB LYS 8 11.399 0.422 -19.125 616 2HB LYS 8 1HB LYS 8 9.798 0.491 -18.390 617 1HG LYS 8 2HG LYS 8 9.595 2.359 -19.694 618 2HG LYS 8 1HG LYS 8 10.437 3.120 -18.344 619 1HD LYS 8 2HD LYS 8 11.576 3.737 -20.396 620 2HD LYS 8 1HD LYS 8 12.610 2.625 -19.499 621 1HE LYS 8 2HE LYS 8 12.478 1.036 -21.108 622 2HE LYS 8 1HE LYS 8 10.740 1.259 -21.300 623 1HZ LYS 8 3HZ LYS 8 12.736 3.178 -22.355 624 2HZ LYS 8 2HZ LYS 8 12.135 1.876 -23.268 625 3HZ LYS 8 1HZ LYS 8 11.082 3.092 -22.721 626 H ASP 9 H ASP 9 11.345 3.706 -16.805 627 HA ASP 9 HA ASP 9 14.017 4.203 -17.892 628 1HB ASP 9 2HB ASP 9 11.764 5.885 -16.859 629 2HB ASP 9 1HB ASP 9 13.378 6.595 -16.919 630 OH TYR 10 OH TYR 10 15.499 2.963 -7.239 631 H TYR 10 H TYR 10 12.542 3.935 -14.722 632 HA TYR 10 HA TYR 10 14.913 4.984 -13.349 633 1HB TYR 10 2HB TYR 10 12.862 5.396 -12.216 634 2HB TYR 10 1HB TYR 10 12.320 3.733 -12.428 635 HD1 TYR 10 HD2 TYR 10 15.341 5.487 -11.031 636 HD2 TYR 10 HD1 TYR 10 12.383 2.418 -10.518 637 HE1 TYR 10 HE2 TYR 10 16.353 4.875 -8.849 638 HE2 TYR 10 HE1 TYR 10 13.389 1.811 -8.338 639 HH TYR 10 HH TYR 10 15.001 2.226 -6.876 640 H ALA 11 H ALA 11 13.567 1.876 -14.261 641 HA ALA 11 HA ALA 11 15.416 0.335 -12.608 642 1HB ALA 11 3HB ALA 11 13.082 -0.375 -13.533 643 2HB ALA 11 2HB ALA 11 13.965 -0.752 -15.014 644 3HB ALA 11 1HB ALA 11 14.378 -1.572 -13.508 645 H MET 12 H MET 12 15.353 1.581 -15.907 646 HA MET 12 HA MET 12 17.775 0.049 -16.609 647 1HB MET 12 2HB MET 12 16.421 0.136 -18.483 648 2HB MET 12 1HB MET 12 15.770 1.720 -18.069 649 1HG MET 12 2HG MET 12 17.524 2.851 -19.043 650 2HG MET 12 1HG MET 12 18.674 1.549 -18.733 651 1HE MET 12 2HE MET 12 17.305 3.543 -20.976 652 2HE MET 12 1HE MET 12 17.078 2.728 -22.522 653 3HE MET 12 3HE MET 12 15.760 2.781 -21.342 654 NH1 ARG 13 NH1 ARG 13 16.246 8.502 -19.010 655 NH2 ARG 13 NH2 ARG 13 18.037 8.946 -20.317 656 H ARG 13 H ARG 13 16.818 3.301 -15.683 657 HA ARG 13 HA ARG 13 19.490 4.378 -16.327 658 1HB ARG 13 2HB ARG 13 17.068 5.668 -15.036 659 2HB ARG 13 1HB ARG 13 18.549 6.516 -15.483 660 1HG ARG 13 2HG ARG 13 17.208 4.867 -17.582 661 2HG ARG 13 1HG ARG 13 16.458 6.403 -17.143 662 1HD ARG 13 2HD ARG 13 18.703 7.504 -17.487 663 2HD ARG 13 1HD ARG 13 19.290 5.969 -18.129 664 HE ARG 13 HE ARG 13 17.796 6.245 -20.026 665 1HH1 ARG 13 2HH1 ARG 13 15.737 7.872 -18.423 666 2HH1 ARG 13 1HH1 ARG 13 15.891 9.421 -19.182 667 1HH2 ARG 13 1HH2 ARG 13 18.899 8.656 -20.731 668 2HH2 ARG 13 2HH2 ARG 13 17.683 9.865 -20.488 669 H PHE 14 H PHE 14 17.953 2.855 -13.684 670 HA PHE 14 HA PHE 14 20.153 3.812 -11.903 671 1HB PHE 14 2HB PHE 14 17.339 3.130 -11.011 672 2HB PHE 14 1HB PHE 14 18.637 3.781 -10.011 673 HD1 PHE 14 HD2 PHE 14 16.842 4.569 -13.217 674 HD2 PHE 14 HD1 PHE 14 18.676 6.079 -9.637 675 HE1 PHE 14 HE2 PHE 14 16.171 6.873 -13.846 676 HE2 PHE 14 HE1 PHE 14 18.006 8.383 -10.266 677 HZ PHE 14 HZ PHE 14 16.754 8.779 -12.370 678 H GLY 15 H GLY 15 17.982 1.180 -12.811 679 1HA GLY 15 2HA GLY 15 19.454 -0.997 -12.867 680 2HA GLY 15 1HA GLY 15 19.584 -0.688 -11.135 681 H GLN 16 H GLN 16 18.218 -2.882 -12.766 682 HA GLN 16 HA GLN 16 15.379 -2.510 -12.106 683 1HB GLN 16 2HB GLN 16 16.654 -5.105 -12.969 684 2HB GLN 16 1HB GLN 16 15.001 -4.555 -13.234 685 1HG GLN 16 2HG GLN 16 15.571 -3.292 -15.052 686 2HG GLN 16 1HG GLN 16 17.132 -2.831 -14.376 687 1HE2 GLN 16 2HE2 GLN 16 18.501 -6.166 -15.361 688 2HE2 GLN 16 1HE2 GLN 16 18.305 -5.337 -13.893 689 H THR 17 H THR 17 18.173 -4.271 -10.870 690 HA THR 17 HA THR 17 16.754 -5.889 -8.975 691 HB THR 17 HB THR 17 19.606 -4.852 -8.915 692 HG1 THR 17 HG1 THR 17 20.080 -6.751 -9.902 693 1HG2 THR 17 3HG2 THR 17 18.033 -6.388 -7.004 694 2HG2 THR 17 2HG2 THR 17 19.444 -7.287 -7.561 695 3HG2 THR 17 1HG2 THR 17 19.646 -5.697 -6.826 696 H LYS 18 H LYS 18 18.047 -2.595 -8.839 697 HA LYS 18 HA LYS 18 17.479 -2.327 -5.986 698 1HB LYS 18 2HB LYS 18 18.050 0.069 -6.364 699 2HB LYS 18 1HB LYS 18 19.295 -1.023 -6.969 700 1HG LYS 18 2HG LYS 18 18.913 -0.465 -9.144 701 2HG LYS 18 1HG LYS 18 17.169 -0.350 -8.912 702 1HD LYS 18 2HD LYS 18 18.086 1.867 -9.401 703 2HD LYS 18 1HD LYS 18 17.489 1.818 -7.742 704 1HE LYS 18 2HE LYS 18 19.752 1.466 -6.896 705 2HE LYS 18 1HE LYS 18 20.382 1.390 -8.542 706 1HZ LYS 18 1HZ LYS 18 18.826 3.750 -7.870 707 2HZ LYS 18 3HZ LYS 18 20.334 3.615 -7.104 708 3HZ LYS 18 2HZ LYS 18 20.240 3.607 -8.801 709 H THR 19 H THR 19 15.819 -1.609 -9.007 710 HA THR 19 HA THR 19 13.797 0.086 -7.842 711 HB THR 19 HB THR 19 13.618 -1.647 -10.328 712 HG1 THR 19 HG1 THR 19 14.054 0.579 -11.217 713 1HG2 THR 19 2HG2 THR 19 12.032 0.756 -9.374 714 2HG2 THR 19 1HG2 THR 19 11.924 0.081 -10.999 715 3HG2 THR 19 3HG2 THR 19 11.426 -0.883 -9.610 716 H ALA 20 H ALA 20 14.169 -3.389 -8.232 717 HA ALA 20 HA ALA 20 11.441 -3.961 -7.329 718 1HB ALA 20 1HB ALA 20 13.855 -5.586 -8.061 719 2HB ALA 20 3HB ALA 20 12.576 -6.341 -7.112 720 3HB ALA 20 2HB ALA 20 12.216 -5.674 -8.705 721 H LYS 21 H LYS 21 14.653 -3.692 -5.939 722 HA LYS 21 HA LYS 21 13.907 -4.871 -3.380 723 1HB LYS 21 2HB LYS 21 16.312 -3.832 -4.629 724 2HB LYS 21 1HB LYS 21 16.140 -3.206 -2.989 725 1HG LYS 21 2HG LYS 21 15.588 -5.663 -2.343 726 2HG LYS 21 1HG LYS 21 16.318 -6.074 -3.895 727 1HD LYS 21 2HD LYS 21 18.429 -5.442 -3.229 728 2HD LYS 21 1HD LYS 21 17.824 -4.195 -2.137 729 1HE LYS 21 2HE LYS 21 16.844 -6.335 -0.861 730 2HE LYS 21 1HE LYS 21 18.217 -7.112 -1.652 731 1HZ LYS 21 2HZ LYS 21 19.373 -4.906 -0.750 732 2HZ LYS 21 1HZ LYS 21 18.177 -5.097 0.442 733 3HZ LYS 21 3HZ LYS 21 19.291 -6.343 0.154 734 H ASP 22 H ASP 22 13.527 -1.804 -4.883 735 HA ASP 22 HA ASP 22 13.243 -0.361 -2.327 736 1HB ASP 22 2HB ASP 22 13.878 0.395 -4.956 737 2HB ASP 22 1HB ASP 22 12.273 1.066 -4.664 738 H LEU 23 H LEU 23 11.226 -1.591 -4.959 739 HA LEU 23 HA LEU 23 8.778 -0.626 -3.614 740 1HB LEU 23 2HB LEU 23 9.193 -2.204 -6.171 741 2HB LEU 23 1HB LEU 23 7.625 -1.656 -5.577 742 HG LEU 23 HG LEU 23 9.668 0.460 -5.676 743 1HD1 LEU 23 2HD1 LEU 23 9.714 -1.284 -7.820 744 2HD1 LEU 23 1HD1 LEU 23 8.583 -0.042 -8.357 745 3HD1 LEU 23 3HD1 LEU 23 10.219 0.404 -7.872 746 1HD2 LEU 23 3HD2 LEU 23 6.775 0.043 -6.363 747 2HD2 LEU 23 2HD2 LEU 23 7.506 1.239 -5.292 748 3HD2 LEU 23 1HD2 LEU 23 7.619 1.435 -7.041 749 H GLY 24 H GLY 24 10.794 -3.337 -3.496 750 1HA GLY 24 2HA GLY 24 10.517 -5.242 -2.102 751 2HA GLY 24 1HA GLY 24 8.833 -4.780 -1.855 752 H VAL 25 H VAL 25 9.845 -4.790 -5.132 753 HA VAL 25 HA VAL 25 8.175 -7.194 -5.605 754 HB VAL 25 HB VAL 25 9.304 -5.971 -7.998 755 1HG1 VAL 25 3HG1 VAL 25 7.254 -7.473 -7.693 756 2HG1 VAL 25 2HG1 VAL 25 6.430 -6.044 -7.066 757 3HG1 VAL 25 1HG1 VAL 25 7.037 -6.058 -8.723 758 1HG2 VAL 25 1HG2 VAL 25 8.085 -4.208 -5.903 759 2HG2 VAL 25 3HG2 VAL 25 9.346 -3.839 -7.080 760 3HG2 VAL 25 2HG2 VAL 25 7.659 -3.916 -7.588 761 OH TYR 26 OH TYR 26 5.677 -11.233 -5.174 762 H TYR 26 H TYR 26 9.224 -8.265 -7.872 763 HA TYR 26 HA TYR 26 11.918 -9.195 -6.959 764 1HB TYR 26 2HB TYR 26 10.479 -10.821 -8.966 765 2HB TYR 26 1HB TYR 26 11.346 -11.330 -7.519 766 HD1 TYR 26 HD1 TYR 26 10.018 -9.857 -5.374 767 HD2 TYR 26 HD2 TYR 26 8.333 -11.752 -8.840 768 HE1 TYR 26 HE1 TYR 26 7.859 -10.121 -4.180 769 HE2 TYR 26 HE2 TYR 26 6.176 -12.017 -7.648 770 HH TYR 26 HH TYR 26 5.089 -10.530 -5.464 771 H GLN 27 H GLN 27 13.326 -9.957 -8.864 772 HA GLN 27 HA GLN 27 13.661 -7.770 -10.700 773 1HB GLN 27 2HB GLN 27 14.868 -10.528 -10.501 774 2HB GLN 27 1HB GLN 27 15.267 -9.447 -11.836 775 1HG GLN 27 2HG GLN 27 15.589 -7.734 -9.775 776 2HG GLN 27 1HG GLN 27 15.989 -9.248 -8.960 777 1HE2 GLN 27 2HE2 GLN 27 18.503 -7.767 -11.821 778 2HE2 GLN 27 1HE2 GLN 27 16.980 -7.059 -11.573 779 H SER 28 H SER 28 12.301 -11.028 -11.042 780 HA SER 28 HA SER 28 11.804 -10.804 -13.875 781 1HB SER 28 2HB SER 28 10.739 -12.601 -11.697 782 2HB SER 28 1HB SER 28 10.106 -12.685 -13.339 783 HG SER 28 HG SER 28 12.214 -13.097 -14.061 784 H ALA 29 H ALA 29 10.414 -9.242 -11.237 785 HA ALA 29 HA ALA 29 7.726 -9.029 -12.448 786 1HB ALA 29 3HB ALA 29 8.111 -9.175 -9.932 787 2HB ALA 29 2HB ALA 29 8.806 -7.557 -10.028 788 3HB ALA 29 1HB ALA 29 7.116 -7.817 -10.459 789 H ILE 30 H ILE 30 10.664 -7.169 -11.967 790 HA ILE 30 HA ILE 30 9.577 -4.682 -12.981 791 HB ILE 30 HB ILE 30 12.435 -5.667 -12.720 792 1HG1 ILE 30 2HG1 ILE 30 11.326 -5.472 -10.563 793 2HG1 ILE 30 1HG1 ILE 30 12.419 -4.100 -10.753 794 1HG2 ILE 30 2HG2 ILE 30 11.487 -3.540 -14.247 795 2HG2 ILE 30 1HG2 ILE 30 11.980 -2.786 -12.730 796 3HG2 ILE 30 3HG2 ILE 30 13.138 -3.739 -13.658 797 1HD1 ILE 30 1HD1 ILE 30 10.111 -3.134 -11.886 798 2HD1 ILE 30 3HD1 ILE 30 9.478 -4.147 -10.589 799 3HD1 ILE 30 2HD1 ILE 30 10.606 -2.841 -10.219 800 H ASN 31 H ASN 31 11.419 -7.377 -14.355 801 HA ASN 31 HA ASN 31 11.629 -6.210 -16.994 802 1HB ASN 31 2HB ASN 31 13.039 -8.128 -16.008 803 2HB ASN 31 1HB ASN 31 11.665 -9.170 -16.381 804 1HD2 ASN 31 2HD2 ASN 31 13.771 -9.333 -19.393 805 2HD2 ASN 31 1HD2 ASN 31 13.804 -9.911 -17.798 806 H LYS 32 H LYS 32 9.419 -8.587 -15.499 807 HA LYS 32 HA LYS 32 7.846 -9.057 -17.833 808 1HB LYS 32 2HB LYS 32 7.389 -9.343 -14.881 809 2HB LYS 32 1HB LYS 32 6.014 -9.492 -15.975 810 1HG LYS 32 2HG LYS 32 6.822 -11.421 -16.957 811 2HG LYS 32 1HG LYS 32 8.508 -10.989 -16.662 812 1HD LYS 32 2HD LYS 32 8.466 -12.362 -14.878 813 2HD LYS 32 1HD LYS 32 7.355 -11.227 -14.111 814 1HE LYS 32 2HE LYS 32 6.455 -13.561 -14.206 815 2HE LYS 32 1HE LYS 32 5.437 -12.392 -15.048 816 1HZ LYS 32 3HZ LYS 32 7.537 -13.747 -16.572 817 2HZ LYS 32 2HZ LYS 32 6.146 -14.637 -16.169 818 3HZ LYS 32 1HZ LYS 32 6.010 -13.208 -17.078 819 H ALA 33 H ALA 33 7.771 -6.519 -15.383 820 HA ALA 33 HA ALA 33 5.272 -5.346 -16.134 821 1HB ALA 33 2HB ALA 33 7.334 -4.768 -14.303 822 2HB ALA 33 1HB ALA 33 7.231 -3.355 -15.353 823 3HB ALA 33 3HB ALA 33 5.805 -3.908 -14.475 824 H ILE 34 H ILE 34 8.590 -4.866 -17.275 825 HA ILE 34 HA ILE 34 7.879 -2.801 -19.189 826 HB ILE 34 HB ILE 34 10.301 -4.593 -18.869 827 1HG1 ILE 34 2HG1 ILE 34 10.449 -1.634 -18.732 828 2HG1 ILE 34 1HG1 ILE 34 9.539 -2.410 -17.435 829 1HG2 ILE 34 3HG2 ILE 34 9.977 -4.063 -21.260 830 2HG2 ILE 34 2HG2 ILE 34 9.860 -2.349 -20.863 831 3HG2 ILE 34 1HG2 ILE 34 11.376 -3.213 -20.606 832 1HD1 ILE 34 2HD1 ILE 34 12.337 -3.226 -18.266 833 2HD1 ILE 34 1HD1 ILE 34 11.981 -2.147 -16.918 834 3HD1 ILE 34 3HD1 ILE 34 11.432 -3.823 -16.876 835 H HIS 35 H HIS 35 7.733 -6.249 -19.107 836 HA HIS 35 HA HIS 35 7.711 -6.640 -21.995 837 1HB HIS 35 2HB HIS 35 7.119 -8.356 -19.594 838 2HB HIS 35 1HB HIS 35 6.693 -8.918 -21.212 839 HD1 HIS 35 HD1 HIS 35 9.157 -7.642 -22.697 840 HD2 HIS 35 HD2 HIS 35 9.400 -9.967 -19.244 841 HE1 HIS 35 HE1 HIS 35 11.502 -8.597 -22.640 842 H ALA 36 H ALA 36 5.329 -6.024 -19.486 843 HA ALA 36 HA ALA 36 3.079 -6.607 -21.289 844 1HB ALA 36 2HB ALA 36 3.036 -6.999 -18.772 845 2HB ALA 36 1HB ALA 36 2.971 -5.247 -18.587 846 3HB ALA 36 3HB ALA 36 1.666 -6.094 -19.419 847 H GLY 37 H GLY 37 5.138 -3.974 -20.630 848 1HA GLY 37 2HA GLY 37 5.065 -1.716 -21.270 849 2HA GLY 37 1HA GLY 37 4.006 -2.267 -22.569 850 NH1 ARG 38 NH2 ARG 38 -1.091 -5.458 -21.133 851 NH2 ARG 38 NH1 ARG 38 -2.336 -6.736 -19.744 852 H ARG 38 H ARG 38 2.950 -2.916 -19.346 853 HA ARG 38 HA ARG 38 0.517 -1.455 -19.681 854 1HB ARG 38 2HB ARG 38 1.660 -3.195 -17.731 855 2HB ARG 38 1HB ARG 38 1.103 -1.745 -16.895 856 1HG ARG 38 2HG ARG 38 -0.679 -3.484 -17.087 857 2HG ARG 38 1HG ARG 38 -1.114 -1.974 -17.888 858 1HD ARG 38 2HD ARG 38 -1.103 -2.925 -19.953 859 2HD ARG 38 1HD ARG 38 0.336 -3.882 -19.605 860 HE ARG 38 HE ARG 38 -1.929 -4.907 -18.146 861 1HH1 ARG 38 1HH2 ARG 38 -0.556 -4.632 -21.303 862 2HH1 ARG 38 2HH2 ARG 38 -1.210 -6.135 -21.860 863 1HH2 ARG 38 2HH1 ARG 38 -2.755 -6.890 -18.850 864 2HH2 ARG 38 1HH1 ARG 38 -2.454 -7.411 -20.474 865 H LYS 39 H LYS 39 -0.166 0.373 -18.182 866 HA LYS 39 HA LYS 39 1.847 2.505 -18.336 867 1HB LYS 39 2HB LYS 39 -1.079 2.325 -17.814 868 2HB LYS 39 1HB LYS 39 -0.230 3.680 -17.067 869 1HG LYS 39 2HG LYS 39 -1.132 4.160 -19.382 870 2HG LYS 39 1HG LYS 39 0.602 4.433 -19.202 871 1HD LYS 39 2HD LYS 39 1.015 2.147 -20.119 872 2HD LYS 39 1HD LYS 39 -0.718 1.980 -20.398 873 1HE LYS 39 2HE LYS 39 -0.538 4.167 -21.745 874 2HE LYS 39 1HE LYS 39 1.206 3.905 -21.707 875 1HZ LYS 39 1HZ LYS 39 -0.241 1.546 -22.426 876 2HZ LYS 39 3HZ LYS 39 -0.540 2.825 -23.499 877 3HZ LYS 39 2HZ LYS 39 1.054 2.306 -23.221 878 H ILE 40 H ILE 40 3.324 1.475 -16.789 879 HA ILE 40 HA ILE 40 2.428 1.820 -13.957 880 HB ILE 40 HB ILE 40 4.911 0.328 -14.819 881 1HG1 ILE 40 2HG1 ILE 40 2.600 -1.343 -14.160 882 2HG1 ILE 40 1HG1 ILE 40 2.346 -0.400 -15.627 883 1HG2 ILE 40 1HG2 ILE 40 3.442 0.847 -12.343 884 2HG2 ILE 40 3HG2 ILE 40 3.746 -0.871 -12.601 885 3HG2 ILE 40 2HG2 ILE 40 5.093 0.268 -12.567 886 1HD1 ILE 40 3HD1 ILE 40 5.014 -1.660 -15.377 887 2HD1 ILE 40 2HD1 ILE 40 3.665 -2.778 -15.583 888 3HD1 ILE 40 1HD1 ILE 40 3.962 -1.521 -16.785 889 H PHE 41 H PHE 41 2.882 4.002 -13.692 890 HA PHE 41 HA PHE 41 5.501 5.057 -14.536 891 1HB PHE 41 2HB PHE 41 3.452 6.537 -12.887 892 2HB PHE 41 1HB PHE 41 4.615 7.189 -14.043 893 HD1 PHE 41 HD1 PHE 41 4.080 4.862 -16.104 894 HD2 PHE 41 HD2 PHE 41 1.530 7.611 -14.004 895 HE1 PHE 41 HE1 PHE 41 2.399 4.689 -17.916 896 HE2 PHE 41 HE2 PHE 41 -0.149 7.437 -15.819 897 HZ PHE 41 HZ PHE 41 0.284 5.975 -17.774 898 H LEU 42 H LEU 42 6.943 6.118 -12.941 899 HA LEU 42 HA LEU 42 6.686 4.871 -10.233 900 1HB LEU 42 2HB LEU 42 8.745 4.553 -12.162 901 2HB LEU 42 1HB LEU 42 9.414 5.524 -10.850 902 HG LEU 42 HG LEU 42 8.650 3.844 -9.213 903 1HD1 LEU 42 1HD1 LEU 42 7.603 2.500 -11.708 904 2HD1 LEU 42 3HD1 LEU 42 7.866 1.624 -10.199 905 3HD1 LEU 42 2HD1 LEU 42 6.703 2.950 -10.261 906 1HD2 LEU 42 3HD2 LEU 42 10.572 3.357 -11.364 907 2HD2 LEU 42 2HD2 LEU 42 10.744 3.087 -9.630 908 3HD2 LEU 42 1HD2 LEU 42 9.979 1.861 -10.642 909 H THR 43 H THR 43 6.172 6.488 -8.847 910 HA THR 43 HA THR 43 7.253 9.211 -9.320 911 HB THR 43 HB THR 43 5.211 8.173 -7.328 912 HG1 THR 43 HG1 THR 43 4.914 8.568 -9.797 913 1HG2 THR 43 1HG2 THR 43 6.808 10.470 -7.154 914 2HG2 THR 43 3HG2 THR 43 5.258 11.041 -7.773 915 3HG2 THR 43 2HG2 THR 43 5.327 10.147 -6.254 916 H ILE 44 H ILE 44 9.447 8.826 -8.704 917 HA ILE 44 HA ILE 44 10.018 7.727 -6.040 918 HB ILE 44 HB ILE 44 12.025 9.127 -7.803 919 1HG1 ILE 44 2HG1 ILE 44 11.963 6.291 -8.279 920 2HG1 ILE 44 1HG1 ILE 44 10.368 6.959 -8.617 921 1HG2 ILE 44 3HG2 ILE 44 12.023 7.048 -5.640 922 2HG2 ILE 44 2HG2 ILE 44 13.310 7.022 -6.846 923 3HG2 ILE 44 1HG2 ILE 44 13.073 8.450 -5.838 924 1HD1 ILE 44 2HD1 ILE 44 11.782 8.839 -9.844 925 2HD1 ILE 44 1HD1 ILE 44 12.990 7.558 -9.931 926 3HD1 ILE 44 3HD1 ILE 44 11.401 7.323 -10.659 927 H ASN 45 H ASN 45 9.286 9.144 -4.458 928 HA ASN 45 HA ASN 45 9.489 12.004 -4.650 929 1HB ASN 45 2HB ASN 45 8.678 10.031 -2.617 930 2HB ASN 45 1HB ASN 45 9.363 11.516 -1.957 931 1HD2 ASN 45 2HD2 ASN 45 5.712 12.103 -2.478 932 2HD2 ASN 45 1HD2 ASN 45 6.636 11.045 -1.526 933 H ALA 46 H ALA 46 10.978 13.388 -3.710 934 HA ALA 46 HA ALA 46 13.683 12.896 -3.839 935 1HB ALA 46 3HB ALA 46 12.136 14.763 -2.047 936 2HB ALA 46 2HB ALA 46 13.899 14.739 -2.052 937 3HB ALA 46 1HB ALA 46 13.020 15.144 -3.526 938 H ASP 47 H ASP 47 11.551 11.813 -1.300 939 HA ASP 47 HA ASP 47 13.767 11.247 0.544 940 1HB ASP 47 2HB ASP 47 10.958 11.528 0.780 941 2HB ASP 47 1HB ASP 47 11.327 9.857 1.208 942 H GLY 48 H GLY 48 13.876 10.002 -2.108 943 1HA GLY 48 2HA GLY 48 14.192 7.894 -3.094 944 2HA GLY 48 1HA GLY 48 14.752 7.422 -1.487 945 H SER 49 H SER 49 11.504 8.599 -2.032 946 HA SER 49 HA SER 49 10.468 5.993 -1.073 947 1HB SER 49 2HB SER 49 8.485 8.039 -1.741 948 2HB SER 49 1HB SER 49 8.753 7.192 -0.220 949 HG SER 49 HG SER 49 9.688 9.633 -1.102 950 H VAL 50 H VAL 50 10.227 4.494 -2.700 951 HA VAL 50 HA VAL 50 9.591 5.343 -5.426 952 HB VAL 50 HB VAL 50 9.459 2.499 -4.426 953 1HG1 VAL 50 2HG1 VAL 50 10.240 3.824 -7.040 954 2HG1 VAL 50 1HG1 VAL 50 10.343 2.090 -6.732 955 3HG1 VAL 50 3HG1 VAL 50 8.773 2.895 -6.731 956 1HG2 VAL 50 1HG2 VAL 50 11.773 4.321 -4.499 957 2HG2 VAL 50 3HG2 VAL 50 11.595 2.764 -3.689 958 3HG2 VAL 50 2HG2 VAL 50 12.018 2.824 -5.400 959 OH TYR 51 OH TYR 51 -0.363 5.759 -3.215 960 H TYR 51 H TYR 51 7.551 5.968 -5.889 961 HA TYR 51 HA TYR 51 5.301 4.426 -4.655 962 1HB TYR 51 2HB TYR 51 5.607 6.924 -4.015 963 2HB TYR 51 1HB TYR 51 5.057 7.262 -5.657 964 HD1 TYR 51 HD1 TYR 51 4.119 5.080 -2.746 965 HD2 TYR 51 HD2 TYR 51 2.774 7.559 -5.988 966 HE1 TYR 51 HE1 TYR 51 1.768 4.735 -2.035 967 HE2 TYR 51 HE2 TYR 51 0.423 7.212 -5.276 968 HH TYR 51 HH TYR 51 -0.933 6.163 -3.872 969 H ALA 52 H ALA 52 5.420 2.969 -6.498 970 HA ALA 52 HA ALA 52 5.079 4.020 -9.195 971 1HB ALA 52 1HB ALA 52 6.218 1.814 -8.498 972 2HB ALA 52 3HB ALA 52 4.585 1.169 -8.334 973 3HB ALA 52 2HB ALA 52 5.148 1.758 -9.899 974 H GLU 53 H GLU 53 3.181 4.046 -10.410 975 HA GLU 53 HA GLU 53 0.670 3.185 -9.052 976 1HB GLU 53 2HB GLU 53 1.133 5.859 -10.408 977 2HB GLU 53 1HB GLU 53 -0.422 5.281 -9.806 978 1HG GLU 53 2HG GLU 53 0.116 5.714 -7.642 979 2HG GLU 53 1HG GLU 53 1.773 5.143 -7.841 980 H GLU 54 H GLU 54 -1.124 2.950 -10.571 981 HA GLU 54 HA GLU 54 -0.179 2.346 -13.344 982 1HB GLU 54 2HB GLU 54 -1.085 0.462 -11.701 983 2HB GLU 54 1HB GLU 54 -2.655 1.101 -12.190 984 1HG GLU 54 2HG GLU 54 -2.473 -0.223 -14.012 985 2HG GLU 54 1HG GLU 54 -1.257 0.919 -14.586 986 H VAL 55 H VAL 55 -1.266 3.438 -14.959 987 HA VAL 55 HA VAL 55 -3.868 4.683 -14.275 988 HB VAL 55 HB VAL 55 -2.172 6.520 -15.788 989 1HG1 VAL 55 3HG1 VAL 55 -4.396 6.568 -14.115 990 2HG1 VAL 55 2HG1 VAL 55 -3.131 7.322 -13.144 991 3HG1 VAL 55 1HG1 VAL 55 -3.536 7.981 -14.728 992 1HG2 VAL 55 2HG2 VAL 55 -0.419 5.468 -14.342 993 2HG2 VAL 55 1HG2 VAL 55 -0.704 7.159 -13.930 994 3HG2 VAL 55 3HG2 VAL 55 -1.380 5.879 -12.923 995 H LYS 56 H LYS 56 -5.107 3.704 -15.785 996 HA LYS 56 HA LYS 56 -4.546 4.250 -18.612 997 1HB LYS 56 2HB LYS 56 -3.312 2.220 -18.436 998 2HB LYS 56 1HB LYS 56 -4.542 1.474 -17.420 999 1HG LYS 56 2HG LYS 56 -5.364 0.556 -19.319 1000 2HG LYS 56 1HG LYS 56 -5.927 2.169 -19.746 1001 1HD LYS 56 2HD LYS 56 -3.985 2.626 -21.035 1002 2HD LYS 56 1HD LYS 56 -3.119 1.247 -20.356 1003 1HE LYS 56 2HE LYS 56 -3.853 -0.002 -22.078 1004 2HE LYS 56 1HE LYS 56 -5.497 0.207 -21.477 1005 1HZ LYS 56 1HZ LYS 56 -5.560 2.342 -22.707 1006 2HZ LYS 56 3HZ LYS 56 -4.058 1.956 -23.393 1007 3HZ LYS 56 2HZ LYS 56 -5.412 0.980 -23.712 1008 HA PRO 57 HA PRO 57 -8.955 4.432 -18.385 1009 1HB PRO 57 2HB PRO 57 -9.414 4.715 -21.082 1010 2HB PRO 57 1HB PRO 57 -8.841 6.028 -20.041 1011 1HG PRO 57 2HG PRO 57 -7.319 4.418 -22.040 1012 2HG PRO 57 1HG PRO 57 -7.026 6.070 -21.472 1013 1HD PRO 57 2HD PRO 57 -5.613 3.769 -20.641 1014 2HD PRO 57 1HD PRO 57 -5.587 5.353 -19.837 1015 H PHE 58 H PHE 58 -10.651 2.953 -18.560 1016 HA PHE 58 HA PHE 58 -9.980 0.340 -19.807 1017 1HB PHE 58 2HB PHE 58 -11.214 -0.637 -18.146 1018 2HB PHE 58 1HB PHE 58 -10.994 0.906 -17.331 1019 HD1 PHE 58 HD1 PHE 58 -12.772 2.781 -18.376 1020 HD2 PHE 58 HD2 PHE 58 -13.383 -1.457 -18.035 1021 HE1 PHE 58 HE1 PHE 58 -15.225 3.132 -18.386 1022 HE2 PHE 58 HE2 PHE 58 -15.836 -1.106 -18.044 1023 HZ PHE 58 HZ PHE 58 -16.759 1.190 -18.220 1024 HA PRO 59 HA PRO 59 -11.671 -1.383 -19.760 1025 1HB PRO 59 2HB PRO 59 -12.218 -3.081 -21.847 1026 2HB PRO 59 1HB PRO 59 -13.450 -2.492 -20.717 1027 1HG PRO 59 2HG PRO 59 -12.954 -1.680 -23.543 1028 2HG PRO 59 1HG PRO 59 -14.457 -1.626 -22.607 1029 1HD PRO 59 2HD PRO 59 -12.769 0.579 -23.165 1030 2HD PRO 59 1HD PRO 59 -14.087 0.546 -21.974 1031 H SER 60 H SER 60 -10.034 -3.146 -20.361 1032 HA SER 60 HA SER 60 -7.797 -1.895 -21.829 1033 1HB SER 60 2HB SER 60 -6.448 -3.704 -20.891 1034 2HB SER 60 1HB SER 60 -7.419 -2.976 -19.614 1035 HG SER 60 HG SER 60 -7.334 -5.441 -20.032 1036 H ASN 61 H ASN 61 -6.506 -4.253 -22.727 1037 HA ASN 61 HA ASN 61 -8.365 -5.071 -24.923 1038 1HB ASN 61 2HB ASN 61 -5.691 -4.021 -24.959 1039 2HB ASN 61 1HB ASN 61 -5.670 -5.659 -25.612 1040 1HD2 ASN 61 2HD2 ASN 61 -8.410 -3.270 -27.505 1041 2HD2 ASN 61 1HD2 ASN 61 -8.444 -3.417 -25.814 1042 H LYS 62 H LYS 62 -9.090 -6.780 -23.345 1043 HA LYS 62 HA LYS 62 -7.262 -9.132 -23.530 1044 1HB LYS 62 2HB LYS 62 -8.397 -7.867 -21.111 1045 2HB LYS 62 1HB LYS 62 -8.588 -9.619 -21.190 1046 1HG LYS 62 2HG LYS 62 -6.324 -10.011 -21.080 1047 2HG LYS 62 1HG LYS 62 -5.920 -8.519 -21.928 1048 1HD LYS 62 2HD LYS 62 -5.237 -8.376 -19.569 1049 2HD LYS 62 1HD LYS 62 -6.521 -7.216 -19.913 1050 1HE LYS 62 2HE LYS 62 -7.694 -8.128 -18.221 1051 2HE LYS 62 1HE LYS 62 -7.847 -9.588 -19.199 1052 1HZ LYS 62 2HZ LYS 62 -5.468 -10.041 -18.288 1053 2HZ LYS 62 1HZ LYS 62 -5.947 -8.984 -17.047 1054 3HZ LYS 62 3HZ LYS 62 -6.829 -10.403 -17.338 1055 H LYS 63 H LYS 63 -8.312 -11.030 -24.088 1056 HA LYS 63 HA LYS 63 -11.298 -10.958 -24.172 1057 1HB LYS 63 2HB LYS 63 -9.638 -10.847 -26.409 1058 2HB LYS 63 1HB LYS 63 -10.093 -12.548 -26.305 1059 1HG LYS 63 2HG LYS 63 -12.370 -10.821 -25.776 1060 2HG LYS 63 1HG LYS 63 -11.655 -10.472 -27.351 1061 1HD LYS 63 2HD LYS 63 -11.742 -12.895 -27.901 1062 2HD LYS 63 1HD LYS 63 -12.530 -13.199 -26.353 1063 1HE LYS 63 2HE LYS 63 -14.456 -12.907 -27.528 1064 2HE LYS 63 1HE LYS 63 -14.093 -11.189 -27.354 1065 1HZ LYS 63 1HZ LYS 63 -12.614 -12.192 -29.507 1066 2HZ LYS 63 3HZ LYS 63 -14.220 -12.701 -29.704 1067 3HZ LYS 63 2HZ LYS 63 -13.867 -11.047 -29.535 1068 H THR 64 H THR 64 -11.366 -12.299 -22.289 1069 HA THR 64 HA THR 64 -10.471 -15.107 -22.798 1070 HB THR 64 HB THR 64 -9.089 -13.881 -21.056 1071 HG1 THR 64 HG1 THR 64 -10.645 -16.009 -20.024 1072 1HG2 THR 64 3HG2 THR 64 -11.704 -13.189 -20.147 1073 2HG2 THR 64 2HG2 THR 64 -10.938 -14.170 -18.897 1074 3HG2 THR 64 1HG2 THR 64 -10.151 -12.699 -19.469 1075 H THR 65 H THR 65 -11.817 -16.725 -21.608 1076 HA THR 65 HA THR 65 -14.572 -15.677 -21.091 1077 HB THR 65 HB THR 65 -14.492 -16.913 -23.220 1078 HG1 THR 65 HG1 THR 65 -16.228 -17.167 -21.550 1079 1HG2 THR 65 1HG2 THR 65 -12.515 -18.312 -22.642 1080 2HG2 THR 65 3HG2 THR 65 -13.526 -19.238 -21.533 1081 3HG2 THR 65 2HG2 THR 65 -13.858 -19.271 -23.265 1082 H ALA 66 HN ALA 66 -15.830 -16.995 -19.558 1083 HA ALA 66 HA ALA 66 -14.996 -19.189 -18.081 1084 1HB ALA 66 2HB ALA 66 -13.544 -16.704 -17.335 1085 2HB ALA 66 1HB ALA 66 -14.160 -17.678 -15.999 1086 3HB ALA 66 3HB ALA 66 -13.049 -18.390 -17.170 Start of MODEL 11 Raw file had 1086 H/Q atoms Start of MODEL 11 1 1H MET 1 2H MET 1 -21.624 19.201 -11.584 2 2H MET 1 1H MET 1 -21.744 20.405 -10.392 3 3H MET 1 3H MET 1 -20.768 20.659 -11.757 4 HA MET 1 HA MET 1 -19.103 20.022 -10.421 5 1HB MET 1 2HB MET 1 -19.479 18.682 -8.373 6 2HB MET 1 1HB MET 1 -20.548 20.084 -8.431 7 1HG MET 1 2HG MET 1 -21.877 17.967 -9.788 8 2HG MET 1 1HG MET 1 -21.260 17.307 -8.273 9 1HE MET 1 1HE MET 1 -22.661 17.091 -6.524 10 2HE MET 1 3HE MET 1 -24.205 17.914 -6.266 11 3HE MET 1 2HE MET 1 -23.957 16.930 -7.707 12 H GLU 2 H GLU 2 -17.665 18.507 -11.122 13 HA GLU 2 HA GLU 2 -18.258 16.501 -12.961 14 1HB GLU 2 2HB GLU 2 -16.085 15.444 -12.251 15 2HB GLU 2 1HB GLU 2 -15.966 17.173 -12.574 16 1HG GLU 2 2HG GLU 2 -16.356 17.536 -10.078 17 2HG GLU 2 1HG GLU 2 -16.105 15.801 -9.882 18 H GLN 3 H GLN 3 -19.633 14.814 -12.712 19 HA GLN 3 HA GLN 3 -20.426 13.774 -10.149 20 1HB GLN 3 2HB GLN 3 -20.805 12.875 -12.999 21 2HB GLN 3 1HB GLN 3 -21.326 11.851 -11.660 22 1HG GLN 3 2HG GLN 3 -23.248 13.058 -11.751 23 2HG GLN 3 1HG GLN 3 -22.319 14.299 -10.908 24 1HE2 GLN 3 2HE2 GLN 3 -23.827 15.491 -14.259 25 2HE2 GLN 3 1HE2 GLN 3 -24.512 14.490 -13.072 26 NH1 ARG 4 NH1 ARG 4 -12.657 13.016 -8.538 27 NH2 ARG 4 NH2 ARG 4 -11.325 14.142 -9.976 28 H ARG 4 H ARG 4 -18.503 13.131 -9.050 29 HA ARG 4 HA ARG 4 -16.854 11.013 -10.311 30 1HB ARG 4 2HB ARG 4 -16.533 12.373 -7.618 31 2HB ARG 4 1HB ARG 4 -15.352 11.332 -8.411 32 1HG ARG 4 2HG ARG 4 -16.398 13.811 -9.772 33 2HG ARG 4 1HG ARG 4 -15.045 13.896 -8.642 34 1HD ARG 4 2HD ARG 4 -14.272 11.789 -10.181 35 2HD ARG 4 1HD ARG 4 -15.155 12.748 -11.367 36 HE ARG 4 HE ARG 4 -13.463 14.401 -11.224 37 1HH1 ARG 4 2HH1 ARG 4 -13.545 12.620 -8.310 38 2HH1 ARG 4 1HH1 ARG 4 -11.898 12.946 -7.890 39 1HH2 ARG 4 1HH2 ARG 4 -11.195 14.608 -10.852 40 2HH2 ARG 4 2HH2 ARG 4 -10.567 14.072 -9.329 41 H ILE 5 H ILE 5 -17.708 8.996 -10.095 42 HA ILE 5 HA ILE 5 -18.481 8.094 -7.377 43 HB ILE 5 HB ILE 5 -20.211 7.431 -9.763 44 1HG1 ILE 5 2HG1 ILE 5 -21.745 9.151 -8.346 45 2HG1 ILE 5 1HG1 ILE 5 -20.161 9.873 -8.067 46 1HG2 ILE 5 1HG2 ILE 5 -20.207 6.919 -6.841 47 2HG2 ILE 5 3HG2 ILE 5 -21.775 7.306 -7.551 48 3HG2 ILE 5 2HG2 ILE 5 -20.847 5.933 -8.156 49 1HD1 ILE 5 3HD1 ILE 5 -21.057 9.083 -10.837 50 2HD1 ILE 5 2HD1 ILE 5 -21.465 10.657 -10.153 51 3HD1 ILE 5 1HD1 ILE 5 -19.775 10.204 -10.379 52 H THR 6 H THR 6 -18.205 5.796 -7.124 53 HA THR 6 HA THR 6 -16.200 4.671 -8.907 54 HB THR 6 HB THR 6 -17.541 2.852 -7.014 55 HG1 THR 6 HG1 THR 6 -16.759 3.959 -5.214 56 1HG2 THR 6 1HG2 THR 6 -15.064 3.110 -8.261 57 2HG2 THR 6 3HG2 THR 6 -14.740 3.521 -6.577 58 3HG2 THR 6 2HG2 THR 6 -15.469 1.966 -6.981 59 H LEU 7 H LEU 7 -16.464 2.848 -10.277 60 HA LEU 7 HA LEU 7 -18.802 2.676 -11.824 61 1HB LEU 7 2HB LEU 7 -16.782 1.717 -12.692 62 2HB LEU 7 1HB LEU 7 -16.610 0.655 -11.296 63 HG LEU 7 HG LEU 7 -18.720 -0.498 -11.951 64 1HD1 LEU 7 1HD1 LEU 7 -18.540 1.476 -14.228 65 2HD1 LEU 7 3HD1 LEU 7 -19.425 -0.040 -14.392 66 3HD1 LEU 7 2HD1 LEU 7 -19.915 1.139 -13.176 67 1HD2 LEU 7 1HD2 LEU 7 -16.168 -0.649 -13.182 68 2HD2 LEU 7 3HD2 LEU 7 -17.382 -1.924 -13.073 69 3HD2 LEU 7 2HD2 LEU 7 -17.358 -0.845 -14.468 70 H LYS 8 H LYS 8 -18.096 1.280 -8.725 71 HA LYS 8 HA LYS 8 -20.183 -0.751 -8.885 72 1HB LYS 8 2HB LYS 8 -19.518 -1.379 -6.725 73 2HB LYS 8 1HB LYS 8 -18.028 -0.736 -7.412 74 1HG LYS 8 2HG LYS 8 -18.585 1.483 -6.370 75 2HG LYS 8 1HG LYS 8 -19.946 0.709 -5.562 76 1HD LYS 8 2HD LYS 8 -18.411 -0.859 -4.450 77 2HD LYS 8 1HD LYS 8 -17.042 -0.116 -5.276 78 1HE LYS 8 2HE LYS 8 -17.535 2.035 -4.182 79 2HE LYS 8 1HE LYS 8 -18.916 1.307 -3.363 80 1HZ LYS 8 2HZ LYS 8 -17.107 -0.399 -2.606 81 2HZ LYS 8 1HZ LYS 8 -16.051 0.898 -2.903 82 3HZ LYS 8 3HZ LYS 8 -17.310 1.073 -1.781 83 H ASP 9 H ASP 9 -19.896 2.519 -7.579 84 HA ASP 9 HA ASP 9 -22.502 2.415 -6.282 85 1HB ASP 9 2HB ASP 9 -20.290 4.289 -6.475 86 2HB ASP 9 1HB ASP 9 -21.838 5.106 -6.683 87 OH TYR 10 OH TYR 10 -25.208 5.332 -16.338 88 H TYR 10 H TYR 10 -21.295 3.400 -9.435 89 HA TYR 10 HA TYR 10 -23.769 4.757 -10.175 90 1HB TYR 10 2HB TYR 10 -21.745 5.464 -11.275 91 2HB TYR 10 1HB TYR 10 -21.385 3.815 -11.786 92 HD1 TYR 10 HD2 TYR 10 -24.591 5.754 -11.842 93 HD2 TYR 10 HD1 TYR 10 -21.544 3.765 -14.127 94 HE1 TYR 10 HE2 TYR 10 -25.911 6.106 -13.912 95 HE2 TYR 10 HE1 TYR 10 -22.866 4.118 -16.196 96 HH TYR 10 HH TYR 10 -25.549 4.481 -16.623 97 H ALA 11 H ALA 11 -22.389 1.540 -10.638 98 HA ALA 11 HA ALA 11 -24.541 0.687 -12.414 99 1HB ALA 11 1HB ALA 11 -22.097 -0.505 -11.243 100 2HB ALA 11 3HB ALA 11 -23.412 -1.634 -11.568 101 3HB ALA 11 2HB ALA 11 -22.752 -0.650 -12.874 102 H MET 12 H MET 12 -23.959 0.632 -8.943 103 HA MET 12 HA MET 12 -26.162 -1.281 -8.517 104 1HB MET 12 2HB MET 12 -23.933 -0.272 -6.963 105 2HB MET 12 1HB MET 12 -25.434 -0.188 -6.044 106 1HG MET 12 2HG MET 12 -25.815 -2.617 -6.952 107 2HG MET 12 1HG MET 12 -24.072 -2.595 -7.221 108 1HE MET 12 1HE MET 12 -25.605 -4.577 -5.541 109 2HE MET 12 3HE MET 12 -25.603 -4.380 -3.783 110 3HE MET 12 2HE MET 12 -26.775 -3.509 -4.769 111 NH1 ARG 13 NH2 ARG 13 -28.151 7.236 -2.696 112 NH2 ARG 13 NH1 ARG 13 -30.064 6.034 -2.771 113 H ARG 13 H ARG 13 -25.547 2.185 -8.005 114 HA ARG 13 HA ARG 13 -28.210 2.557 -6.826 115 1HB ARG 13 2HB ARG 13 -25.843 4.275 -7.361 116 2HB ARG 13 1HB ARG 13 -27.410 5.078 -7.331 117 1HG ARG 13 2HG ARG 13 -27.460 3.328 -5.139 118 2HG ARG 13 1HG ARG 13 -25.846 4.040 -5.116 119 1HD ARG 13 2HD ARG 13 -26.637 6.165 -4.735 120 2HD ARG 13 1HD ARG 13 -28.123 5.886 -5.643 121 HE ARG 13 HE ARG 13 -28.166 4.283 -3.276 122 1HH1 ARG 13 1HH2 ARG 13 -27.177 7.326 -2.903 123 2HH1 ARG 13 2HH2 ARG 13 -28.633 7.976 -2.226 124 1HH2 ARG 13 2HH1 ARG 13 -30.556 5.205 -3.037 125 2HH2 ARG 13 1HH1 ARG 13 -30.547 6.772 -2.300 126 H PHE 14 H PHE 14 -26.774 2.708 -9.995 127 HA PHE 14 HA PHE 14 -29.314 3.901 -11.032 128 1HB PHE 14 2HB PHE 14 -26.635 3.790 -12.441 129 2HB PHE 14 1HB PHE 14 -28.064 4.695 -12.939 130 HD1 PHE 14 HD1 PHE 14 -25.823 4.310 -9.946 131 HD2 PHE 14 HD2 PHE 14 -28.195 6.948 -12.369 132 HE1 PHE 14 HE1 PHE 14 -25.103 6.233 -8.556 133 HE2 PHE 14 HE2 PHE 14 -27.473 8.871 -10.980 134 HZ PHE 14 HZ PHE 14 -25.928 8.514 -9.075 135 H GLY 15 H GLY 15 -26.931 1.324 -11.471 136 1HA GLY 15 2HA GLY 15 -28.161 -0.887 -12.016 137 2HA GLY 15 1HA GLY 15 -28.812 0.011 -13.387 138 H GLN 16 H GLN 16 -26.786 -2.335 -12.996 139 HA GLN 16 HA GLN 16 -24.338 -1.291 -14.202 140 1HB GLN 16 2HB GLN 16 -24.970 -4.203 -14.329 141 2HB GLN 16 1HB GLN 16 -23.470 -3.398 -13.870 142 1HG GLN 16 2HG GLN 16 -24.084 -4.001 -11.759 143 2HG GLN 16 1HG GLN 16 -25.114 -2.573 -11.859 144 1HE2 GLN 16 2HE2 GLN 16 -27.415 -5.277 -10.881 145 2HE2 GLN 16 1HE2 GLN 16 -26.173 -4.359 -10.173 146 H THR 17 H THR 17 -27.391 -2.423 -15.333 147 HA THR 17 HA THR 17 -26.537 -3.310 -17.950 148 HB THR 17 HB THR 17 -28.695 -4.015 -17.045 149 HG1 THR 17 HG1 THR 17 -28.897 -2.258 -19.261 150 1HG2 THR 17 3HG2 THR 17 -29.378 -1.063 -17.148 151 2HG2 THR 17 2HG2 THR 17 -30.525 -2.355 -16.792 152 3HG2 THR 17 1HG2 THR 17 -29.185 -2.037 -15.690 153 H LYS 18 H LYS 18 -27.762 -0.221 -16.665 154 HA LYS 18 HA LYS 18 -27.611 1.061 -19.291 155 1HB LYS 18 2HB LYS 18 -28.195 3.117 -18.064 156 2HB LYS 18 1HB LYS 18 -29.272 1.795 -17.616 157 1HG LYS 18 2HG LYS 18 -28.096 1.421 -15.556 158 2HG LYS 18 1HG LYS 18 -26.785 2.500 -16.040 159 1HD LYS 18 2HD LYS 18 -28.081 3.843 -14.603 160 2HD LYS 18 1HD LYS 18 -28.637 4.316 -16.208 161 1HE LYS 18 2HE LYS 18 -30.111 2.012 -15.218 162 2HE LYS 18 1HE LYS 18 -30.236 3.380 -14.111 163 1HZ LYS 18 3HZ LYS 18 -30.501 4.022 -16.924 164 2HZ LYS 18 2HZ LYS 18 -31.758 3.078 -16.277 165 3HZ LYS 18 1HZ LYS 18 -31.385 4.587 -15.591 166 H THR 19 H THR 19 -25.491 0.583 -16.569 167 HA THR 19 HA THR 19 -23.678 2.760 -17.201 168 HB THR 19 HB THR 19 -23.178 0.212 -15.625 169 HG1 THR 19 HG1 THR 19 -24.833 2.042 -15.073 170 1HG2 THR 19 2HG2 THR 19 -21.618 2.734 -16.088 171 2HG2 THR 19 1HG2 THR 19 -21.485 1.911 -14.534 172 3HG2 THR 19 3HG2 THR 19 -21.046 1.067 -16.020 173 H ALA 20 H ALA 20 -24.019 -0.593 -18.186 174 HA ALA 20 HA ALA 20 -21.424 -0.682 -19.530 175 1HB ALA 20 1HB ALA 20 -23.293 -2.580 -18.693 176 2HB ALA 20 3HB ALA 20 -23.388 -2.632 -20.453 177 3HB ALA 20 2HB ALA 20 -21.843 -2.899 -19.645 178 H LYS 21 H LYS 21 -24.796 -0.112 -20.453 179 HA LYS 21 HA LYS 21 -24.286 -0.089 -23.300 180 1HB LYS 21 2HB LYS 21 -26.550 -0.267 -21.929 181 2HB LYS 21 1HB LYS 21 -26.528 1.489 -22.091 182 1HG LYS 21 2HG LYS 21 -26.460 1.348 -24.490 183 2HG LYS 21 1HG LYS 21 -26.184 -0.394 -24.437 184 1HD LYS 21 2HD LYS 21 -28.447 -0.482 -24.751 185 2HD LYS 21 1HD LYS 21 -28.479 -0.244 -23.003 186 1HE LYS 21 2HE LYS 21 -29.761 1.571 -23.462 187 2HE LYS 21 1HE LYS 21 -28.245 2.339 -23.933 188 1HZ LYS 21 1HZ LYS 21 -29.286 0.708 -26.020 189 2HZ LYS 21 3HZ LYS 21 -30.416 1.879 -25.544 190 3HZ LYS 21 2HZ LYS 21 -28.863 2.353 -26.047 191 H ASP 22 H ASP 22 -24.172 2.336 -20.749 192 HA ASP 22 HA ASP 22 -23.935 4.578 -22.596 193 1HB ASP 22 2HB ASP 22 -24.067 4.181 -19.709 194 2HB ASP 22 1HB ASP 22 -22.864 5.392 -20.154 195 H LEU 23 H LEU 23 -21.703 2.493 -20.822 196 HA LEU 23 HA LEU 23 -19.363 4.065 -21.615 197 1HB LEU 23 2HB LEU 23 -19.773 1.441 -20.188 198 2HB LEU 23 1HB LEU 23 -18.165 1.949 -20.710 199 HG LEU 23 HG LEU 23 -19.622 4.101 -19.378 200 1HD1 LEU 23 1HD1 LEU 23 -19.639 1.423 -18.179 201 2HD1 LEU 23 3HD1 LEU 23 -18.896 2.642 -17.144 202 3HD1 LEU 23 2HD1 LEU 23 -20.548 2.864 -17.722 203 1HD2 LEU 23 1HD2 LEU 23 -16.939 2.896 -19.528 204 2HD2 LEU 23 3HD2 LEU 23 -17.401 4.588 -19.346 205 3HD2 LEU 23 2HD2 LEU 23 -17.343 3.533 -17.934 206 H GLY 24 H GLY 24 -21.232 1.465 -22.944 207 1HA GLY 24 2HA GLY 24 -21.057 0.787 -25.248 208 2HA GLY 24 1HA GLY 24 -19.408 1.412 -25.279 209 H VAL 25 H VAL 25 -20.103 -0.441 -22.498 210 HA VAL 25 HA VAL 25 -18.578 -2.722 -23.678 211 HB VAL 25 HB VAL 25 -18.498 -3.202 -21.005 212 1HG1 VAL 25 2HG1 VAL 25 -16.739 -2.416 -23.024 213 2HG1 VAL 25 1HG1 VAL 25 -16.468 -1.241 -21.737 214 3HG1 VAL 25 3HG1 VAL 25 -16.292 -2.966 -21.410 215 1HG2 VAL 25 1HG2 VAL 25 -19.776 -0.984 -20.710 216 2HG2 VAL 25 3HG2 VAL 25 -18.311 -1.188 -19.750 217 3HG2 VAL 25 2HG2 VAL 25 -18.280 -0.191 -21.206 218 OH TYR 26 OH TYR 26 -15.303 -7.850 -22.516 219 H TYR 26 H TYR 26 -19.177 -4.842 -22.223 220 HA TYR 26 HA TYR 26 -22.123 -5.097 -22.568 221 1HB TYR 26 2HB TYR 26 -21.426 -7.634 -22.231 222 2HB TYR 26 1HB TYR 26 -21.217 -6.840 -23.789 223 HD1 TYR 26 HD2 TYR 26 -19.001 -6.168 -24.583 224 HD2 TYR 26 HD1 TYR 26 -19.512 -8.112 -20.787 225 HE1 TYR 26 HE2 TYR 26 -16.562 -6.605 -24.478 226 HE2 TYR 26 HE1 TYR 26 -17.073 -8.551 -20.683 227 HH TYR 26 HH TYR 26 -14.856 -7.012 -22.379 228 H GLN 27 H GLN 27 -23.183 -6.653 -20.964 229 HA GLN 27 HA GLN 27 -22.911 -5.604 -18.319 230 1HB GLN 27 2HB GLN 27 -24.581 -7.555 -19.694 231 2HB GLN 27 1HB GLN 27 -24.194 -8.066 -18.051 232 1HG GLN 27 2HG GLN 27 -25.195 -6.178 -17.088 233 2HG GLN 27 1HG GLN 27 -25.082 -5.241 -18.577 234 1HE2 GLN 27 2HE2 GLN 27 -28.441 -6.046 -19.266 235 2HE2 GLN 27 1HE2 GLN 27 -27.259 -4.838 -19.109 236 H SER 28 H SER 28 -21.758 -8.612 -19.801 237 HA SER 28 HA SER 28 -20.769 -9.851 -17.445 238 1HB SER 28 2HB SER 28 -20.045 -10.022 -20.355 239 2HB SER 28 1HB SER 28 -19.057 -10.857 -19.159 240 HG SER 28 HG SER 28 -20.759 -12.093 -18.604 241 H ALA 29 H ALA 29 -19.644 -7.056 -19.119 242 HA ALA 29 HA ALA 29 -16.909 -7.269 -18.019 243 1HB ALA 29 2HB ALA 29 -17.846 -6.093 -20.287 244 2HB ALA 29 1HB ALA 29 -17.838 -4.709 -19.196 245 3HB ALA 29 3HB ALA 29 -16.350 -5.607 -19.492 246 H ILE 30 H ILE 30 -19.947 -5.650 -17.422 247 HA ILE 30 HA ILE 30 -18.862 -3.817 -15.438 248 HB ILE 30 HB ILE 30 -21.732 -4.701 -15.856 249 1HG1 ILE 30 2HG1 ILE 30 -20.513 -3.788 -17.915 250 2HG1 ILE 30 1HG1 ILE 30 -21.965 -2.913 -17.428 251 1HG2 ILE 30 3HG2 ILE 30 -20.424 -2.330 -14.514 252 2HG2 ILE 30 2HG2 ILE 30 -22.136 -2.373 -14.932 253 3HG2 ILE 30 1HG2 ILE 30 -21.480 -3.536 -13.779 254 1HD1 ILE 30 2HD1 ILE 30 -19.161 -2.127 -16.589 255 2HD1 ILE 30 1HD1 ILE 30 -20.017 -1.415 -17.957 256 3HD1 ILE 30 3HD1 ILE 30 -20.644 -1.210 -16.321 257 H ASN 31 H ASN 31 -20.148 -7.067 -15.457 258 HA ASN 31 HA ASN 31 -20.470 -7.174 -12.549 259 1HB ASN 31 2HB ASN 31 -21.734 -8.556 -14.385 260 2HB ASN 31 1HB ASN 31 -20.314 -9.600 -14.323 261 1HD2 ASN 31 2HD2 ASN 31 -21.815 -11.273 -11.603 262 2HD2 ASN 31 1HD2 ASN 31 -21.159 -11.391 -13.164 263 H LYS 32 H LYS 32 -18.164 -8.404 -14.970 264 HA LYS 32 HA LYS 32 -16.467 -9.690 -13.016 265 1HB LYS 32 2HB LYS 32 -14.862 -9.892 -14.845 266 2HB LYS 32 1HB LYS 32 -16.478 -10.284 -15.438 267 1HG LYS 32 2HG LYS 32 -16.721 -7.976 -16.281 268 2HG LYS 32 1HG LYS 32 -15.090 -7.608 -15.721 269 1HD LYS 32 2HD LYS 32 -14.609 -9.851 -17.180 270 2HD LYS 32 1HD LYS 32 -15.968 -9.172 -18.078 271 1HE LYS 32 2HE LYS 32 -14.326 -7.958 -19.104 272 2HE LYS 32 1HE LYS 32 -14.495 -6.928 -17.682 273 1HZ LYS 32 3HZ LYS 32 -12.766 -8.362 -16.619 274 2HZ LYS 32 2HZ LYS 32 -12.507 -9.080 -18.137 275 3HZ LYS 32 1HZ LYS 32 -12.211 -7.422 -17.916 276 H ALA 33 H ALA 33 -16.835 -6.425 -14.152 277 HA ALA 33 HA ALA 33 -14.187 -5.559 -13.258 278 1HB ALA 33 1HB ALA 33 -16.635 -4.217 -14.350 279 2HB ALA 33 3HB ALA 33 -15.440 -3.239 -13.497 280 3HB ALA 33 2HB ALA 33 -14.971 -4.150 -14.933 281 H ILE 34 H ILE 34 -17.501 -5.448 -12.013 282 HA ILE 34 HA ILE 34 -16.741 -3.985 -9.606 283 HB ILE 34 HB ILE 34 -19.238 -5.510 -10.396 284 1HG1 ILE 34 2HG1 ILE 34 -18.802 -3.392 -11.595 285 2HG1 ILE 34 1HG1 ILE 34 -20.193 -3.236 -10.523 286 1HG2 ILE 34 3HG2 ILE 34 -18.363 -4.394 -7.796 287 2HG2 ILE 34 2HG2 ILE 34 -19.987 -3.931 -8.305 288 3HG2 ILE 34 1HG2 ILE 34 -19.566 -5.635 -8.140 289 1HD1 ILE 34 2HD1 ILE 34 -18.562 -2.331 -8.772 290 2HD1 ILE 34 1HD1 ILE 34 -17.385 -2.208 -10.079 291 3HD1 ILE 34 3HD1 ILE 34 -18.883 -1.279 -10.151 292 H HIS 35 H HIS 35 -16.924 -7.321 -10.592 293 HA HIS 35 HA HIS 35 -16.911 -8.447 -7.920 294 1HB HIS 35 2HB HIS 35 -16.484 -9.489 -10.704 295 2HB HIS 35 1HB HIS 35 -16.028 -10.495 -9.328 296 HD1 HIS 35 HD1 HIS 35 -18.145 -10.303 -7.354 297 HD2 HIS 35 HD2 HIS 35 -19.068 -10.092 -11.413 298 HE1 HIS 35 HE1 HIS 35 -20.598 -10.902 -7.563 299 H ALA 36 H ALA 36 -14.424 -7.671 -10.338 300 HA ALA 36 HA ALA 36 -12.252 -8.811 -8.793 301 1HB ALA 36 2HB ALA 36 -12.560 -7.258 -11.286 302 2HB ALA 36 1HB ALA 36 -11.056 -6.953 -10.415 303 3HB ALA 36 3HB ALA 36 -11.467 -8.593 -10.919 304 H GLY 37 H GLY 37 -14.037 -5.872 -8.629 305 1HA GLY 37 2HA GLY 37 -13.655 -3.860 -7.454 306 2HA GLY 37 1HA GLY 37 -13.101 -4.968 -6.198 307 NH1 ARG 38 NH1 ARG 38 -8.837 -3.355 -15.208 308 NH2 ARG 38 NH2 ARG 38 -8.751 -5.607 -15.365 309 H ARG 38 H ARG 38 -11.660 -4.228 -9.375 310 HA ARG 38 HA ARG 38 -9.051 -3.869 -8.058 311 1HB ARG 38 2HB ARG 38 -8.287 -3.517 -10.472 312 2HB ARG 38 1HB ARG 38 -8.970 -5.101 -10.103 313 1HG ARG 38 2HG ARG 38 -10.818 -4.753 -11.395 314 2HG ARG 38 1HG ARG 38 -10.922 -3.045 -10.961 315 1HD ARG 38 2HD ARG 38 -10.128 -2.649 -13.048 316 2HD ARG 38 1HD ARG 38 -8.568 -3.146 -12.394 317 HE ARG 38 HE ARG 38 -9.963 -5.487 -13.205 318 1HH1 ARG 38 2HH1 ARG 38 -9.070 -2.531 -14.692 319 2HH1 ARG 38 1HH1 ARG 38 -8.438 -3.277 -16.122 320 1HH2 ARG 38 1HH2 ARG 38 -8.919 -6.511 -14.970 321 2HH2 ARG 38 2HH2 ARG 38 -8.348 -5.529 -16.278 322 H LYS 39 H LYS 39 -10.519 -1.893 -7.070 323 HA LYS 39 HA LYS 39 -10.939 0.435 -7.037 324 1HB LYS 39 2HB LYS 39 -8.100 -0.179 -7.430 325 2HB LYS 39 1HB LYS 39 -8.537 1.459 -7.916 326 1HG LYS 39 2HG LYS 39 -9.074 2.098 -5.781 327 2HG LYS 39 1HG LYS 39 -9.684 0.500 -5.350 328 1HD LYS 39 2HD LYS 39 -7.368 -0.352 -5.232 329 2HD LYS 39 1HD LYS 39 -6.761 1.251 -5.645 330 1HE LYS 39 2HE LYS 39 -8.443 1.813 -3.547 331 2HE LYS 39 1HE LYS 39 -7.792 0.242 -3.079 332 1HZ LYS 39 3HZ LYS 39 -6.096 2.492 -3.997 333 2HZ LYS 39 2HZ LYS 39 -6.456 2.211 -2.361 334 3HZ LYS 39 1HZ LYS 39 -5.594 1.051 -3.255 335 H ILE 40 H ILE 40 -12.437 0.139 -8.887 336 HA ILE 40 HA ILE 40 -11.396 1.463 -11.357 337 HB ILE 40 HB ILE 40 -13.980 -0.098 -11.058 338 1HG1 ILE 40 2HG1 ILE 40 -11.341 -1.032 -12.233 339 2HG1 ILE 40 1HG1 ILE 40 -11.941 -1.509 -10.644 340 1HG2 ILE 40 1HG2 ILE 40 -13.279 1.687 -12.979 341 2HG2 ILE 40 3HG2 ILE 40 -12.568 0.219 -13.650 342 3HG2 ILE 40 2HG2 ILE 40 -14.294 0.280 -13.293 343 1HD1 ILE 40 1HD1 ILE 40 -13.581 -1.900 -13.152 344 2HD1 ILE 40 3HD1 ILE 40 -12.433 -3.115 -12.590 345 3HD1 ILE 40 2HD1 ILE 40 -13.802 -2.660 -11.575 346 H PHE 41 H PHE 41 -11.699 3.614 -10.973 347 HA PHE 41 HA PHE 41 -14.117 4.530 -9.568 348 1HB PHE 41 2HB PHE 41 -11.951 6.244 -10.790 349 2HB PHE 41 1HB PHE 41 -13.032 6.644 -9.453 350 HD1 PHE 41 HD1 PHE 41 -12.836 3.825 -8.128 351 HD2 PHE 41 HD2 PHE 41 -9.883 6.609 -9.545 352 HE1 PHE 41 HE1 PHE 41 -11.195 2.912 -6.514 353 HE2 PHE 41 HE2 PHE 41 -8.245 5.693 -7.931 354 HZ PHE 41 HZ PHE 41 -8.898 3.845 -6.415 355 H LEU 42 H LEU 42 -15.420 6.321 -10.543 356 HA LEU 42 HA LEU 42 -15.594 6.044 -13.520 357 1HB LEU 42 2HB LEU 42 -17.473 5.176 -11.655 358 2HB LEU 42 1HB LEU 42 -18.107 6.730 -12.196 359 HG LEU 42 HG LEU 42 -17.796 5.964 -14.567 360 1HD1 LEU 42 3HD1 LEU 42 -16.097 4.141 -13.684 361 2HD1 LEU 42 2HD1 LEU 42 -17.558 3.170 -13.505 362 3HD1 LEU 42 1HD1 LEU 42 -17.108 3.801 -15.088 363 1HD2 LEU 42 2HD2 LEU 42 -19.606 4.605 -12.599 364 2HD2 LEU 42 1HD2 LEU 42 -20.010 5.742 -13.886 365 3HD2 LEU 42 3HD2 LEU 42 -19.622 4.067 -14.280 366 H THR 43 H THR 43 -14.832 7.988 -14.238 367 HA THR 43 HA THR 43 -15.619 10.469 -12.798 368 HB THR 43 HB THR 43 -13.507 9.809 -14.857 369 HG1 THR 43 HG1 THR 43 -13.151 9.598 -12.564 370 1HG2 THR 43 2HG2 THR 43 -14.918 12.345 -14.483 371 2HG2 THR 43 1HG2 THR 43 -13.175 12.492 -14.254 372 3HG2 THR 43 3HG2 THR 43 -13.816 11.852 -15.768 373 H ILE 44 H ILE 44 -17.774 10.737 -13.500 374 HA ILE 44 HA ILE 44 -18.319 10.701 -16.408 375 HB ILE 44 HB ILE 44 -20.269 11.319 -14.178 376 1HG1 ILE 44 2HG1 ILE 44 -19.996 8.594 -15.407 377 2HG1 ILE 44 1HG1 ILE 44 -18.901 9.050 -14.100 378 1HG2 ILE 44 2HG2 ILE 44 -20.809 11.786 -16.635 379 2HG2 ILE 44 1HG2 ILE 44 -20.734 10.041 -16.881 380 3HG2 ILE 44 3HG2 ILE 44 -21.935 10.727 -15.786 381 1HD1 ILE 44 1HD1 ILE 44 -21.396 9.895 -13.195 382 2HD1 ILE 44 3HD1 ILE 44 -21.736 8.353 -13.981 383 3HD1 ILE 44 2HD1 ILE 44 -20.548 8.436 -12.680 384 H ASN 45 H ASN 45 -17.421 12.587 -17.259 385 HA ASN 45 HA ASN 45 -17.302 15.124 -16.065 386 1HB ASN 45 2HB ASN 45 -17.305 14.124 -18.870 387 2HB ASN 45 1HB ASN 45 -17.604 15.845 -18.633 388 1HD2 ASN 45 2HD2 ASN 45 -14.025 14.440 -17.148 389 2HD2 ASN 45 1HD2 ASN 45 -15.424 13.498 -16.955 390 H ALA 46 H ALA 46 -18.679 16.882 -16.020 391 HA ALA 46 HA ALA 46 -21.404 16.561 -15.602 392 1HB ALA 46 2HB ALA 46 -19.808 18.656 -15.346 393 2HB ALA 46 1HB ALA 46 -20.491 19.091 -16.913 394 3HB ALA 46 3HB ALA 46 -21.550 18.871 -15.519 395 H ASP 47 H ASP 47 -19.783 16.589 -18.674 396 HA ASP 47 HA ASP 47 -22.229 17.217 -20.172 397 1HB ASP 47 2HB ASP 47 -19.571 17.465 -20.765 398 2HB ASP 47 1HB ASP 47 -19.970 15.967 -21.609 399 H GLY 48 H GLY 48 -22.267 14.875 -18.362 400 1HA GLY 48 2HA GLY 48 -23.021 12.659 -18.388 401 2HA GLY 48 1HA GLY 48 -23.659 13.029 -19.991 402 H SER 49 H SER 49 -20.251 13.403 -19.369 403 HA SER 49 HA SER 49 -19.718 11.263 -21.349 404 1HB SER 49 2HB SER 49 -17.356 12.530 -20.238 405 2HB SER 49 1HB SER 49 -17.930 12.515 -21.903 406 HG SER 49 HG SER 49 -19.063 14.323 -21.540 407 H VAL 50 H VAL 50 -19.550 9.223 -20.500 408 HA VAL 50 HA VAL 50 -18.732 8.831 -17.717 409 HB VAL 50 HB VAL 50 -19.115 6.745 -19.886 410 1HG1 VAL 50 2HG1 VAL 50 -18.971 6.679 -16.865 411 2HG1 VAL 50 1HG1 VAL 50 -19.655 5.354 -17.808 412 3HG1 VAL 50 3HG1 VAL 50 -17.962 5.804 -18.017 413 1HG2 VAL 50 1HG2 VAL 50 -21.020 8.421 -18.424 414 2HG2 VAL 50 3HG2 VAL 50 -21.290 7.375 -19.819 415 3HG2 VAL 50 2HG2 VAL 50 -21.316 6.699 -18.191 416 OH TYR 51 OH TYR 51 -8.565 8.668 -19.105 417 H TYR 51 H TYR 51 -16.647 8.639 -17.070 418 HA TYR 51 HA TYR 51 -14.645 7.604 -19.024 419 1HB TYR 51 2HB TYR 51 -14.529 10.092 -18.981 420 2HB TYR 51 1HB TYR 51 -14.245 10.026 -17.241 421 HD1 TYR 51 HD1 TYR 51 -12.842 9.242 -20.566 422 HD2 TYR 51 HD2 TYR 51 -12.130 9.277 -16.331 423 HE1 TYR 51 HE1 TYR 51 -10.423 8.879 -20.970 424 HE2 TYR 51 HE2 TYR 51 -9.711 8.911 -16.733 425 HH TYR 51 HH TYR 51 -8.448 8.466 -20.036 426 H ALA 52 H ALA 52 -14.922 5.635 -17.702 427 HA ALA 52 HA ALA 52 -14.194 5.710 -14.875 428 1HB ALA 52 1HB ALA 52 -15.687 3.995 -16.265 429 2HB ALA 52 3HB ALA 52 -14.138 3.175 -16.459 430 3HB ALA 52 2HB ALA 52 -14.781 3.472 -14.844 431 H GLU 53 H GLU 53 -12.228 4.965 -13.968 432 HA GLU 53 HA GLU 53 -10.034 4.297 -15.868 433 1HB GLU 53 2HB GLU 53 -10.330 6.784 -14.426 434 2HB GLU 53 1HB GLU 53 -8.883 5.934 -13.881 435 1HG GLU 53 2HG GLU 53 -8.446 5.564 -16.432 436 2HG GLU 53 1HG GLU 53 -9.575 6.903 -16.644 437 H GLU 54 H GLU 54 -8.161 3.362 -14.756 438 HA GLU 54 HA GLU 54 -8.972 1.935 -12.257 439 1HB GLU 54 2HB GLU 54 -8.435 0.569 -14.352 440 2HB GLU 54 1HB GLU 54 -6.772 1.128 -14.179 441 1HG GLU 54 2HG GLU 54 -6.998 0.271 -11.721 442 2HG GLU 54 1HG GLU 54 -8.358 -0.659 -12.351 443 H VAL 55 H VAL 55 -7.628 2.161 -10.452 444 HA VAL 55 HA VAL 55 -4.991 3.449 -10.821 445 HB VAL 55 HB VAL 55 -6.344 4.771 -8.629 446 1HG1 VAL 55 3HG1 VAL 55 -4.360 5.280 -10.479 447 2HG1 VAL 55 2HG1 VAL 55 -5.670 6.324 -11.031 448 3HG1 VAL 55 1HG1 VAL 55 -5.054 6.476 -9.385 449 1HG2 VAL 55 1HG2 VAL 55 -8.371 4.328 -10.051 450 2HG2 VAL 55 3HG2 VAL 55 -8.002 6.044 -9.879 451 3HG2 VAL 55 2HG2 VAL 55 -7.583 5.197 -11.369 452 H LYS 56 H LYS 56 -3.787 1.911 -9.821 453 HA LYS 56 HA LYS 56 -4.263 1.430 -6.956 454 1HB LYS 56 2HB LYS 56 -5.563 -0.369 -7.805 455 2HB LYS 56 1HB LYS 56 -4.397 -0.709 -9.083 456 1HG LYS 56 2HG LYS 56 -3.230 -2.091 -7.738 457 2HG LYS 56 1HG LYS 56 -3.128 -0.860 -6.480 458 1HD LYS 56 2HD LYS 56 -4.365 -2.528 -5.407 459 2HD LYS 56 1HD LYS 56 -5.640 -1.488 -6.043 460 1HE LYS 56 2HE LYS 56 -5.589 -2.987 -8.132 461 2HE LYS 56 1HE LYS 56 -4.646 -4.114 -7.156 462 1HZ LYS 56 2HZ LYS 56 -6.594 -3.666 -5.470 463 2HZ LYS 56 1HZ LYS 56 -7.448 -3.321 -6.898 464 3HZ LYS 56 3HZ LYS 56 -6.731 -4.843 -6.689 465 HA PRO 57 HA PRO 57 0.156 1.611 -7.332 466 1HB PRO 57 2HB PRO 57 0.705 1.167 -4.675 467 2HB PRO 57 1HB PRO 57 0.153 2.725 -5.316 468 1HG PRO 57 2HG PRO 57 -1.368 0.696 -3.745 469 2HG PRO 57 1HG PRO 57 -1.615 2.446 -3.855 470 1HD PRO 57 2HD PRO 57 -3.136 0.477 -5.197 471 2HD PRO 57 1HD PRO 57 -3.136 2.216 -5.555 472 H PHE 58 H PHE 58 2.028 0.155 -6.992 473 HA PHE 58 HA PHE 58 1.181 -2.698 -6.717 474 1HB PHE 58 2HB PHE 58 2.414 -3.237 -8.562 475 2HB PHE 58 1HB PHE 58 2.271 -1.525 -8.936 476 HD1 PHE 58 HD2 PHE 58 4.093 0.004 -7.662 477 HD2 PHE 58 HD1 PHE 58 4.543 -4.164 -8.598 478 HE1 PHE 58 HE2 PHE 58 6.559 0.239 -7.523 479 HE2 PHE 58 HE1 PHE 58 7.007 -3.930 -8.458 480 HZ PHE 58 HZ PHE 58 8.016 -1.729 -7.921 481 HA PRO 59 HA PRO 59 2.878 -4.404 -7.215 482 1HB PRO 59 2HB PRO 59 3.229 -6.612 -5.614 483 2HB PRO 59 1HB PRO 59 4.542 -5.819 -6.499 484 1HG PRO 59 2HG PRO 59 3.916 -5.721 -3.584 485 2HG PRO 59 1HG PRO 59 5.474 -5.525 -4.403 486 1HD PRO 59 2HD PRO 59 3.881 -3.432 -3.376 487 2HD PRO 59 1HD PRO 59 5.238 -3.245 -4.509 488 H SER 60 H SER 60 1.008 -5.810 -7.431 489 HA SER 60 HA SER 60 -1.248 -4.988 -5.801 490 1HB SER 60 2HB SER 60 -1.489 -5.532 -8.202 491 2HB SER 60 1HB SER 60 -1.034 -7.200 -7.868 492 HG SER 60 HG SER 60 -2.877 -7.421 -6.623 493 H ASN 61 H ASN 61 -1.699 -5.836 -3.840 494 HA ASN 61 HA ASN 61 -1.293 -8.749 -3.414 495 1HB ASN 61 2HB ASN 61 0.373 -6.723 -2.290 496 2HB ASN 61 1HB ASN 61 -0.619 -7.380 -0.988 497 1HD2 ASN 61 2HD2 ASN 61 2.421 -9.553 -1.421 498 2HD2 ASN 61 1HD2 ASN 61 2.196 -7.900 -1.105 499 H LYS 62 H LYS 62 -2.159 -9.040 -0.882 500 HA LYS 62 HA LYS 62 -4.940 -8.014 -1.040 501 1HB LYS 62 2HB LYS 62 -3.818 -10.067 0.883 502 2HB LYS 62 1HB LYS 62 -5.514 -9.779 0.489 503 1HG LYS 62 2HG LYS 62 -4.677 -10.277 -1.980 504 2HG LYS 62 1HG LYS 62 -3.399 -11.147 -1.130 505 1HD LYS 62 2HD LYS 62 -5.981 -11.726 0.051 506 2HD LYS 62 1HD LYS 62 -5.994 -12.083 -1.677 507 1HE LYS 62 2HE LYS 62 -4.681 -13.892 -1.390 508 2HE LYS 62 1HE LYS 62 -3.515 -12.967 -0.444 509 1HZ LYS 62 3HZ LYS 62 -6.088 -13.910 0.678 510 2HZ LYS 62 2HZ LYS 62 -4.666 -14.838 0.745 511 3HZ LYS 62 1HZ LYS 62 -4.733 -13.326 1.516 512 H LYS 63 H LYS 63 -4.359 -5.833 -0.323 513 HA LYS 63 HA LYS 63 -3.870 -4.189 1.298 514 1HB LYS 63 2HB LYS 63 -5.874 -6.066 2.295 515 2HB LYS 63 1HB LYS 63 -5.002 -5.265 3.603 516 1HG LYS 63 2HG LYS 63 -5.411 -3.079 2.313 517 2HG LYS 63 1HG LYS 63 -6.581 -3.995 1.363 518 1HD LYS 63 2HD LYS 63 -7.932 -4.448 3.269 519 2HD LYS 63 1HD LYS 63 -6.663 -3.940 4.384 520 1HE LYS 63 2HE LYS 63 -7.135 -1.757 2.636 521 2HE LYS 63 1HE LYS 63 -8.716 -2.341 3.156 522 1HZ LYS 63 3HZ LYS 63 -7.317 -2.418 5.442 523 2HZ LYS 63 2HZ LYS 63 -6.622 -1.065 4.685 524 3HZ LYS 63 1HZ LYS 63 -8.297 -1.118 4.967 525 H THR 64 H THR 64 -1.607 -5.669 0.974 526 HA THR 64 HA THR 64 -0.644 -5.977 3.787 527 HB THR 64 HB THR 64 0.592 -7.643 1.636 528 HG1 THR 64 HG1 THR 64 -1.098 -8.856 1.408 529 1HG2 THR 64 2HG2 THR 64 0.412 -7.532 4.562 530 2HG2 THR 64 1HG2 THR 64 0.192 -9.155 3.910 531 3HG2 THR 64 3HG2 THR 64 1.658 -8.247 3.539 532 H THR 65 H THR 65 1.102 -4.695 4.185 533 HA THR 65 HA THR 65 3.041 -4.113 2.050 534 HB THR 65 HB THR 65 1.823 -1.732 3.423 535 HG1 THR 65 HG1 THR 65 0.893 -2.221 0.906 536 1HG2 THR 65 2HG2 THR 65 3.986 -1.975 1.840 537 2HG2 THR 65 1HG2 THR 65 2.751 -1.757 0.599 538 3HG2 THR 65 3HG2 THR 65 2.974 -0.531 1.846 539 H ALA 66 HN ALA 66 4.733 -4.881 3.302 540 HA ALA 66 HA ALA 66 5.117 -3.563 5.962 541 1HB ALA 66 2HB ALA 66 5.714 -6.356 5.004 542 2HB ALA 66 1HB ALA 66 6.617 -5.662 6.352 543 3HB ALA 66 3HB ALA 66 4.867 -5.847 6.464 544 1H MET 1 2H MET 1 12.528 19.645 -9.067 545 2H MET 1 1H MET 1 13.716 20.299 -8.043 546 3H MET 1 3H MET 1 14.019 18.851 -8.873 547 HA MET 1 HA MET 1 13.487 17.984 -6.858 548 1HB MET 1 2HB MET 1 11.616 19.095 -5.471 549 2HB MET 1 1HB MET 1 13.135 19.978 -5.620 550 1HG MET 1 2HG MET 1 12.141 21.227 -7.562 551 2HG MET 1 1HG MET 1 10.600 20.441 -7.214 552 1HE MET 1 3HE MET 1 9.283 20.579 -5.671 553 2HE MET 1 2HE MET 1 9.546 21.128 -4.018 554 3HE MET 1 1HE MET 1 8.815 22.217 -5.194 555 H GLU 2 H GLU 2 12.501 17.237 -9.369 556 HA GLU 2 HA GLU 2 9.906 16.041 -8.570 557 1HB GLU 2 2HB GLU 2 9.792 18.232 -10.118 558 2HB GLU 2 1HB GLU 2 10.089 17.034 -11.377 559 1HG GLU 2 2HG GLU 2 8.166 15.714 -10.595 560 2HG GLU 2 1HG GLU 2 7.875 16.887 -9.310 561 H GLN 3 H GLN 3 11.237 14.108 -8.399 562 HA GLN 3 HA GLN 3 12.551 13.119 -10.842 563 1HB GLN 3 2HB GLN 3 12.506 12.405 -7.982 564 2HB GLN 3 1HB GLN 3 12.571 11.020 -9.073 565 1HG GLN 3 2HG GLN 3 14.828 11.477 -8.935 566 2HG GLN 3 1HG GLN 3 14.410 12.538 -10.282 567 1HE2 GLN 3 2HE2 GLN 3 14.457 15.510 -8.150 568 2HE2 GLN 3 1HE2 GLN 3 13.500 14.820 -9.370 569 NH1 ARG 4 NH1 ARG 4 4.745 12.290 -10.352 570 NH2 ARG 4 NH2 ARG 4 4.525 13.468 -8.436 571 H ARG 4 H ARG 4 10.567 13.019 -12.154 572 HA ARG 4 HA ARG 4 8.737 10.783 -11.382 573 1HB ARG 4 2HB ARG 4 8.230 12.717 -13.640 574 2HB ARG 4 1HB ARG 4 7.064 11.796 -12.689 575 1HG ARG 4 2HG ARG 4 8.774 14.072 -11.642 576 2HG ARG 4 1HG ARG 4 7.058 14.180 -12.035 577 1HD ARG 4 2HD ARG 4 7.220 11.958 -10.362 578 2HD ARG 4 1HD ARG 4 8.339 13.113 -9.641 579 HE ARG 4 HE ARG 4 6.433 14.736 -9.574 580 1HH1 ARG 4 2HH1 ARG 4 5.265 12.067 -11.177 581 2HH1 ARG 4 1HH1 ARG 4 3.875 11.831 -10.170 582 1HH2 ARG 4 1HH2 ARG 4 4.875 14.149 -7.794 583 2HH2 ARG 4 2HH2 ARG 4 3.656 13.007 -8.254 584 H ILE 5 H ILE 5 9.014 8.899 -12.468 585 HA ILE 5 HA ILE 5 9.821 8.906 -15.300 586 HB ILE 5 HB ILE 5 11.518 7.708 -13.098 587 1HG1 ILE 5 2HG1 ILE 5 13.191 8.938 -14.858 588 2HG1 ILE 5 1HG1 ILE 5 11.754 9.947 -15.024 589 1HG2 ILE 5 3HG2 ILE 5 11.567 7.188 -16.085 590 2HG2 ILE 5 2HG2 ILE 5 12.854 6.718 -14.975 591 3HG2 ILE 5 1HG2 ILE 5 11.247 6.008 -14.814 592 1HD1 ILE 5 1HD1 ILE 5 11.929 9.582 -12.287 593 2HD1 ILE 5 3HD1 ILE 5 13.619 9.713 -12.772 594 3HD1 ILE 5 2HD1 ILE 5 12.487 11.008 -13.162 595 H THR 6 H THR 6 9.491 6.757 -16.264 596 HA THR 6 HA THR 6 7.330 5.304 -14.911 597 HB THR 6 HB THR 6 8.624 4.299 -17.421 598 HG1 THR 6 HG1 THR 6 8.507 6.456 -17.858 599 1HG2 THR 6 2HG2 THR 6 6.151 3.986 -15.963 600 2HG2 THR 6 1HG2 THR 6 5.820 4.536 -17.605 601 3HG2 THR 6 3HG2 THR 6 6.749 3.061 -17.341 602 H LEU 7 H LEU 7 7.475 3.077 -14.280 603 HA LEU 7 HA LEU 7 9.842 2.289 -12.965 604 1HB LEU 7 2HB LEU 7 7.811 1.206 -12.333 605 2HB LEU 7 1HB LEU 7 7.482 0.696 -13.988 606 HG LEU 7 HG LEU 7 9.566 -0.718 -13.888 607 1HD1 LEU 7 2HD1 LEU 7 10.637 0.556 -12.029 608 2HD1 LEU 7 1HD1 LEU 7 9.410 -0.071 -10.928 609 3HD1 LEU 7 3HD1 LEU 7 10.549 -1.174 -11.700 610 1HD2 LEU 7 1HD2 LEU 7 7.216 -1.150 -12.052 611 2HD2 LEU 7 3HD2 LEU 7 7.579 -1.937 -13.588 612 3HD2 LEU 7 2HD2 LEU 7 8.506 -2.348 -12.145 613 H LYS 8 H LYS 8 9.065 2.168 -16.319 614 HA LYS 8 HA LYS 8 11.028 0.055 -16.900 615 1HB LYS 8 2HB LYS 8 10.228 0.117 -19.107 616 2HB LYS 8 1HB LYS 8 8.798 0.527 -18.163 617 1HG LYS 8 2HG LYS 8 8.765 2.193 -19.795 618 2HG LYS 8 1HG LYS 8 9.640 3.000 -18.491 619 1HD LYS 8 2HD LYS 8 11.496 3.175 -19.756 620 2HD LYS 8 1HD LYS 8 11.458 1.452 -20.133 621 1HE LYS 8 2HE LYS 8 11.225 2.550 -22.231 622 2HE LYS 8 1HE LYS 8 9.598 2.016 -21.807 623 1HZ LYS 8 2HZ LYS 8 9.468 4.338 -20.696 624 2HZ LYS 8 1HZ LYS 8 10.734 4.726 -21.760 625 3HZ LYS 8 3HZ LYS 8 9.246 4.196 -22.375 626 H ASP 9 H ASP 9 10.786 3.571 -17.107 627 HA ASP 9 HA ASP 9 13.350 3.814 -18.513 628 1HB ASP 9 2HB ASP 9 11.174 5.599 -17.688 629 2HB ASP 9 1HB ASP 9 12.772 6.309 -17.461 630 OH TYR 10 OH TYR 10 16.174 4.004 -8.066 631 H TYR 10 H TYR 10 12.277 3.565 -15.251 632 HA TYR 10 HA TYR 10 14.698 4.823 -14.140 633 1HB TYR 10 2HB TYR 10 12.603 5.122 -12.926 634 2HB TYR 10 1HB TYR 10 12.371 3.377 -12.838 635 HD1 TYR 10 HD2 TYR 10 15.331 5.611 -12.247 636 HD2 TYR 10 HD1 TYR 10 12.687 2.625 -10.653 637 HE1 TYR 10 HE2 TYR 10 16.667 5.540 -10.159 638 HE2 TYR 10 HE1 TYR 10 14.021 2.554 -8.566 639 HH TYR 10 HH TYR 10 16.644 4.837 -7.986 640 H ALA 11 H ALA 11 13.391 1.623 -14.768 641 HA ALA 11 HA ALA 11 15.598 0.298 -13.339 642 1HB ALA 11 1HB ALA 11 13.013 -0.443 -13.939 643 2HB ALA 11 3HB ALA 11 13.942 -1.331 -15.147 644 3HB ALA 11 2HB ALA 11 14.284 -1.554 -13.431 645 H MET 12 H MET 12 14.763 1.263 -16.590 646 HA MET 12 HA MET 12 16.900 -0.398 -17.770 647 1HB MET 12 2HB MET 12 14.812 1.469 -18.891 648 2HB MET 12 1HB MET 12 16.134 0.867 -19.892 649 1HG MET 12 2HG MET 12 15.236 -1.426 -18.634 650 2HG MET 12 1HG MET 12 13.743 -0.532 -18.923 651 1HE MET 12 1HE MET 12 15.640 -2.972 -19.693 652 2HE MET 12 3HE MET 12 14.887 -3.502 -21.203 653 3HE MET 12 2HE MET 12 16.509 -2.812 -21.217 654 NH1 ARG 13 NH2 ARG 13 18.844 6.272 -22.250 655 NH2 ARG 13 NH1 ARG 13 16.986 5.404 -23.199 656 H ARG 13 H ARG 13 16.271 2.976 -16.952 657 HA ARG 13 HA ARG 13 18.786 3.831 -18.235 658 1HB ARG 13 2HB ARG 13 16.825 5.448 -16.587 659 2HB ARG 13 1HB ARG 13 18.115 6.086 -17.607 660 1HG ARG 13 2HG ARG 13 16.314 4.224 -19.001 661 2HG ARG 13 1HG ARG 13 15.520 5.692 -18.431 662 1HD ARG 13 2HD ARG 13 16.407 6.808 -20.169 663 2HD ARG 13 1HD ARG 13 18.016 6.488 -19.521 664 HE ARG 13 HE ARG 13 17.274 4.147 -20.869 665 1HH1 ARG 13 1HH2 ARG 13 19.418 6.418 -21.443 666 2HH1 ARG 13 2HH2 ARG 13 19.124 6.642 -23.135 667 1HH2 ARG 13 2HH1 ARG 13 16.134 4.886 -23.120 668 2HH2 ARG 13 1HH1 ARG 13 17.265 5.774 -24.085 669 H PHE 14 H PHE 14 17.516 3.279 -14.979 670 HA PHE 14 HA PHE 14 20.135 4.163 -13.871 671 1HB PHE 14 2HB PHE 14 17.572 3.472 -12.409 672 2HB PHE 14 1HB PHE 14 19.032 4.139 -11.683 673 HD1 PHE 14 HD2 PHE 14 16.634 4.851 -14.484 674 HD2 PHE 14 HD1 PHE 14 19.196 6.446 -11.427 675 HE1 PHE 14 HE2 PHE 14 15.879 7.145 -15.046 676 HE2 PHE 14 HE1 PHE 14 18.441 8.741 -11.990 677 HZ PHE 14 HZ PHE 14 16.782 9.090 -13.801 678 H GLY 15 H GLY 15 17.851 1.434 -13.623 679 1HA GLY 15 2HA GLY 15 19.440 -0.712 -14.026 680 2HA GLY 15 1HA GLY 15 19.974 -0.224 -12.418 681 H GLN 16 H GLN 16 18.434 -2.645 -13.388 682 HA GLN 16 HA GLN 16 15.799 -2.317 -12.123 683 1HB GLN 16 2HB GLN 16 17.058 -4.921 -13.006 684 2HB GLN 16 1HB GLN 16 15.343 -4.532 -12.865 685 1HG GLN 16 2HG GLN 16 16.322 -2.595 -14.613 686 2HG GLN 16 1HG GLN 16 17.163 -4.068 -15.098 687 1HE2 GLN 16 2HE2 GLN 16 13.958 -5.790 -15.721 688 2HE2 GLN 16 1HE2 GLN 16 15.392 -6.086 -14.861 689 H THR 17 H THR 17 18.987 -3.346 -11.236 690 HA THR 17 HA THR 17 18.210 -4.982 -8.970 691 HB THR 17 HB THR 17 20.441 -5.186 -10.011 692 HG1 THR 17 HG1 THR 17 19.968 -5.407 -7.622 693 1HG2 THR 17 2HG2 THR 17 20.827 -2.377 -8.940 694 2HG2 THR 17 1HG2 THR 17 22.109 -3.383 -9.613 695 3HG2 THR 17 3HG2 THR 17 20.779 -2.849 -10.639 696 H LYS 18 H LYS 18 19.056 -1.565 -9.417 697 HA LYS 18 HA LYS 18 18.855 -0.985 -6.560 698 1HB LYS 18 2HB LYS 18 19.102 1.373 -7.274 699 2HB LYS 18 1HB LYS 18 20.334 0.351 -8.016 700 1HG LYS 18 2HG LYS 18 18.413 0.132 -9.892 701 2HG LYS 18 1HG LYS 18 18.016 1.734 -9.268 702 1HD LYS 18 2HD LYS 18 20.689 0.819 -10.366 703 2HD LYS 18 1HD LYS 18 19.598 2.009 -11.080 704 1HE LYS 18 2HE LYS 18 20.769 3.570 -9.949 705 2HE LYS 18 1HE LYS 18 19.989 2.952 -8.493 706 1HZ LYS 18 1HZ LYS 18 22.410 1.652 -9.558 707 2HZ LYS 18 3HZ LYS 18 22.543 3.042 -8.595 708 3HZ LYS 18 2HZ LYS 18 21.801 1.646 -7.972 709 H THR 19 H THR 19 16.794 -0.674 -9.413 710 HA THR 19 HA THR 19 14.706 0.837 -8.145 711 HB THR 19 HB THR 19 14.457 -1.132 -10.440 712 HG1 THR 19 HG1 THR 19 15.528 1.408 -10.212 713 1HG2 THR 19 1HG2 THR 19 12.725 1.054 -9.317 714 2HG2 THR 19 3HG2 THR 19 12.629 0.640 -11.029 715 3HG2 THR 19 2HG2 THR 19 12.272 -0.578 -9.805 716 H ALA 20 H ALA 20 15.335 -2.639 -8.457 717 HA ALA 20 HA ALA 20 12.836 -3.419 -7.199 718 1HB ALA 20 1HB ALA 20 14.358 -4.844 -8.731 719 2HB ALA 20 3HB ALA 20 15.336 -5.108 -7.288 720 3HB ALA 20 2HB ALA 20 13.654 -5.637 -7.321 721 H LYS 21 H LYS 21 16.113 -2.733 -6.088 722 HA LYS 21 HA LYS 21 15.642 -3.723 -3.391 723 1HB LYS 21 2HB LYS 21 17.830 -2.338 -4.841 724 2HB LYS 21 1HB LYS 21 17.746 -2.030 -3.106 725 1HG LYS 21 2HG LYS 21 18.009 -4.312 -2.565 726 2HG LYS 21 1HG LYS 21 17.577 -4.838 -4.192 727 1HD LYS 21 2HD LYS 21 19.926 -5.076 -4.136 728 2HD LYS 21 1HD LYS 21 19.680 -3.534 -4.955 729 1HE LYS 21 2HE LYS 21 21.291 -2.957 -3.370 730 2HE LYS 21 1HE LYS 21 19.802 -2.547 -2.518 731 1HZ LYS 21 1HZ LYS 21 20.646 -5.294 -2.229 732 2HZ LYS 21 3HZ LYS 21 21.709 -4.162 -1.548 733 3HZ LYS 21 2HZ LYS 21 20.082 -4.199 -1.058 734 H ASP 22 H ASP 22 14.996 -0.773 -5.098 735 HA ASP 22 HA ASP 22 14.682 0.780 -2.606 736 1HB ASP 22 2HB ASP 22 15.359 1.503 -5.167 737 2HB ASP 22 1HB ASP 22 13.647 1.927 -5.117 738 H LEU 23 H LEU 23 12.726 -0.918 -4.972 739 HA LEU 23 HA LEU 23 10.221 0.151 -3.827 740 1HB LEU 23 2HB LEU 23 10.856 -1.747 -6.093 741 2HB LEU 23 1HB LEU 23 9.207 -1.503 -5.518 742 HG LEU 23 HG LEU 23 10.785 0.957 -6.052 743 1HD1 LEU 23 3HD1 LEU 23 9.963 -1.023 -8.172 744 2HD1 LEU 23 2HD1 LEU 23 10.021 0.705 -8.524 745 3HD1 LEU 23 1HD1 LEU 23 11.484 -0.142 -8.017 746 1HD2 LEU 23 1HD2 LEU 23 7.957 -0.033 -6.304 747 2HD2 LEU 23 3HD2 LEU 23 8.567 1.378 -5.440 748 3HD2 LEU 23 2HD2 LEU 23 8.458 1.400 -7.200 749 H GLY 24 H GLY 24 12.345 -2.521 -3.400 750 1HA GLY 24 2HA GLY 24 12.219 -4.121 -1.639 751 2HA GLY 24 1HA GLY 24 10.551 -3.628 -1.345 752 H VAL 25 H VAL 25 11.304 -4.214 -4.634 753 HA VAL 25 HA VAL 25 9.808 -6.793 -4.475 754 HB VAL 25 HB VAL 25 10.037 -5.978 -7.178 755 1HG1 VAL 25 3HG1 VAL 25 8.159 -7.149 -5.904 756 2HG1 VAL 25 2HG1 VAL 25 7.661 -5.548 -5.358 757 3HG1 VAL 25 1HG1 VAL 25 7.653 -5.933 -7.078 758 1HG2 VAL 25 2HG2 VAL 25 9.212 -3.702 -5.344 759 2HG2 VAL 25 1HG2 VAL 25 10.633 -3.721 -6.389 760 3HG2 VAL 25 3HG2 VAL 25 9.017 -3.718 -7.096 761 OH TYR 26 OH TYR 26 8.056 -11.297 -3.390 762 H TYR 26 H TYR 26 10.492 -7.984 -6.820 763 HA TYR 26 HA TYR 26 13.395 -8.530 -6.409 764 1HB TYR 26 2HB TYR 26 11.770 -10.293 -8.169 765 2HB TYR 26 1HB TYR 26 12.998 -10.718 -6.977 766 HD1 TYR 26 HD1 TYR 26 12.347 -10.195 -4.461 767 HD2 TYR 26 HD2 TYR 26 9.528 -10.702 -7.662 768 HE1 TYR 26 HE1 TYR 26 10.570 -10.718 -2.813 769 HE2 TYR 26 HE2 TYR 26 7.749 -11.225 -6.013 770 HH TYR 26 HH TYR 26 7.662 -10.469 -3.106 771 H GLN 27 H GLN 27 14.704 -8.907 -8.381 772 HA GLN 27 HA GLN 27 14.339 -6.816 -10.317 773 1HB GLN 27 2HB GLN 27 16.145 -9.242 -10.234 774 2HB GLN 27 1HB GLN 27 16.190 -8.070 -11.552 775 1HG GLN 27 2HG GLN 27 17.378 -6.619 -10.309 776 2HG GLN 27 1HG GLN 27 16.205 -6.714 -8.994 777 1HE2 GLN 27 2HE2 GLN 27 19.722 -8.624 -8.617 778 2HE2 GLN 27 1HE2 GLN 27 19.400 -7.538 -9.881 779 H SER 28 H SER 28 13.370 -10.181 -10.195 780 HA SER 28 HA SER 28 12.713 -10.332 -13.038 781 1HB SER 28 2HB SER 28 12.769 -12.141 -10.775 782 2HB SER 28 1HB SER 28 11.248 -12.298 -11.648 783 HG SER 28 HG SER 28 12.599 -12.404 -13.585 784 H ALA 29 H ALA 29 11.263 -8.945 -10.293 785 HA ALA 29 HA ALA 29 8.498 -9.241 -11.250 786 1HB ALA 29 1HB ALA 29 9.597 -8.764 -8.766 787 2HB ALA 29 3HB ALA 29 9.056 -7.155 -9.244 788 3HB ALA 29 2HB ALA 29 7.906 -8.489 -9.183 789 H ILE 30 H ILE 30 11.083 -6.862 -11.228 790 HA ILE 30 HA ILE 30 9.470 -4.726 -12.361 791 HB ILE 30 HB ILE 30 12.432 -5.181 -11.980 792 1HG1 ILE 30 2HG1 ILE 30 11.714 -2.786 -10.840 793 2HG1 ILE 30 1HG1 ILE 30 10.241 -3.736 -10.638 794 1HG2 ILE 30 3HG2 ILE 30 11.025 -3.056 -13.581 795 2HG2 ILE 30 2HG2 ILE 30 12.549 -2.703 -12.766 796 3HG2 ILE 30 1HG2 ILE 30 12.476 -3.970 -13.991 797 1HD1 ILE 30 1HD1 ILE 30 12.596 -5.326 -10.037 798 2HD1 ILE 30 3HD1 ILE 30 12.542 -3.871 -9.042 799 3HD1 ILE 30 2HD1 ILE 30 11.186 -4.998 -9.028 800 H ASN 31 H ASN 31 11.586 -7.266 -13.591 801 HA ASN 31 HA ASN 31 11.639 -6.366 -16.322 802 1HB ASN 31 2HB ASN 31 13.173 -8.099 -15.269 803 2HB ASN 31 1HB ASN 31 11.828 -9.236 -15.370 804 1HD2 ASN 31 2HD2 ASN 31 13.548 -9.867 -18.511 805 2HD2 ASN 31 1HD2 ASN 31 13.636 -10.280 -16.866 806 H LYS 32 H LYS 32 9.541 -8.656 -14.561 807 HA LYS 32 HA LYS 32 7.932 -9.310 -16.863 808 1HB LYS 32 2HB LYS 32 7.313 -9.467 -13.897 809 2HB LYS 32 1HB LYS 32 6.311 -10.172 -15.168 810 1HG LYS 32 2HG LYS 32 7.901 -11.789 -15.711 811 2HG LYS 32 1HG LYS 32 9.238 -10.838 -15.061 812 1HD LYS 32 2HD LYS 32 8.962 -12.486 -13.419 813 2HD LYS 32 1HD LYS 32 8.009 -11.150 -12.772 814 1HE LYS 32 2HE LYS 32 5.957 -12.124 -13.565 815 2HE LYS 32 1HE LYS 32 6.829 -13.347 -14.489 816 1HZ LYS 32 1HZ LYS 32 7.621 -13.374 -11.764 817 2HZ LYS 32 3HZ LYS 32 5.940 -13.555 -11.893 818 3HZ LYS 32 2HZ LYS 32 6.973 -14.630 -12.707 819 H ALA 33 H ALA 33 7.832 -6.764 -14.438 820 HA ALA 33 HA ALA 33 5.183 -5.818 -15.019 821 1HB ALA 33 2HB ALA 33 7.328 -5.070 -13.313 822 2HB ALA 33 1HB ALA 33 6.923 -3.651 -14.277 823 3HB ALA 33 3HB ALA 33 5.681 -4.442 -13.305 824 H ILE 34 H ILE 34 8.374 -5.043 -16.339 825 HA ILE 34 HA ILE 34 7.339 -2.998 -18.142 826 HB ILE 34 HB ILE 34 9.983 -4.448 -17.902 827 1HG1 ILE 34 2HG1 ILE 34 9.772 -1.500 -17.797 828 2HG1 ILE 34 1HG1 ILE 34 8.946 -2.348 -16.491 829 1HG2 ILE 34 2HG2 ILE 34 8.885 -2.866 -20.144 830 2HG2 ILE 34 1HG2 ILE 34 10.478 -2.353 -19.588 831 3HG2 ILE 34 3HG2 ILE 34 10.224 -4.014 -20.125 832 1HD1 ILE 34 1HD1 ILE 34 11.443 -3.643 -16.848 833 2HD1 ILE 34 3HD1 ILE 34 11.768 -1.911 -16.841 834 3HD1 ILE 34 2HD1 ILE 34 10.932 -2.656 -15.479 835 H HIS 35 H HIS 35 7.814 -6.447 -18.217 836 HA HIS 35 HA HIS 35 7.715 -6.758 -21.088 837 1HB HIS 35 2HB HIS 35 7.389 -8.583 -18.723 838 2HB HIS 35 1HB HIS 35 6.942 -9.157 -20.329 839 HD1 HIS 35 HD1 HIS 35 9.666 -6.723 -20.440 840 HD2 HIS 35 HD2 HIS 35 9.360 -10.854 -19.974 841 HE1 HIS 35 HE1 HIS 35 11.974 -7.667 -20.885 842 H ALA 36 H ALA 36 5.333 -6.246 -18.615 843 HA ALA 36 HA ALA 36 3.115 -7.185 -20.318 844 1HB ALA 36 2HB ALA 36 3.003 -7.519 -17.869 845 2HB ALA 36 1HB ALA 36 3.084 -5.773 -17.632 846 3HB ALA 36 3HB ALA 36 1.686 -6.490 -18.431 847 H GLY 37 H GLY 37 4.931 -4.340 -19.903 848 1HA GLY 37 2HA GLY 37 4.654 -2.174 -20.759 849 2HA GLY 37 1HA GLY 37 3.482 -2.884 -21.871 850 NH1 ARG 38 NH2 ARG 38 0.121 -8.070 -16.031 851 NH2 ARG 38 NH1 ARG 38 -1.848 -7.088 -15.510 852 H ARG 38 H ARG 38 2.887 -3.335 -18.505 853 HA ARG 38 HA ARG 38 0.342 -2.024 -18.623 854 1HB ARG 38 2HB ARG 38 1.949 -2.606 -16.119 855 2HB ARG 38 1HB ARG 38 0.196 -2.458 -16.257 856 1HG ARG 38 2HG ARG 38 1.167 -4.426 -18.133 857 2HG ARG 38 1HG ARG 38 1.732 -4.814 -16.508 858 1HD ARG 38 2HD ARG 38 -0.547 -4.695 -15.645 859 2HD ARG 38 1HD ARG 38 -1.146 -4.184 -17.223 860 HE ARG 38 HE ARG 38 -0.460 -6.451 -18.067 861 1HH1 ARG 38 1HH2 ARG 38 0.959 -8.093 -16.575 862 2HH1 ARG 38 2HH2 ARG 38 -0.047 -8.773 -15.341 863 1HH2 ARG 38 2HH1 ARG 38 -2.517 -6.359 -15.655 864 2HH2 ARG 38 1HH1 ARG 38 -2.016 -7.790 -14.819 865 H LYS 39 H LYS 39 -0.254 -0.138 -17.180 866 HA LYS 39 HA LYS 39 1.693 2.031 -17.617 867 1HB LYS 39 2HB LYS 39 -1.208 1.850 -16.938 868 2HB LYS 39 1HB LYS 39 -0.338 3.292 -16.411 869 1HG LYS 39 2HG LYS 39 -0.105 4.076 -18.528 870 2HG LYS 39 1HG LYS 39 0.262 2.477 -19.175 871 1HD LYS 39 2HD LYS 39 -2.154 1.894 -19.029 872 2HD LYS 39 1HD LYS 39 -2.493 3.536 -18.481 873 1HE LYS 39 2HE LYS 39 -2.725 2.978 -21.028 874 2HE LYS 39 1HE LYS 39 -1.938 4.482 -20.550 875 1HZ LYS 39 3HZ LYS 39 -0.515 1.943 -21.139 876 2HZ LYS 39 2HZ LYS 39 -0.679 3.235 -22.230 877 3HZ LYS 39 1HZ LYS 39 0.198 3.442 -20.790 878 H ILE 40 H ILE 40 3.193 1.012 -16.044 879 HA ILE 40 HA ILE 40 2.427 1.568 -13.215 880 HB ILE 40 HB ILE 40 4.668 -0.079 -14.426 881 1HG1 ILE 40 2HG1 ILE 40 2.484 -0.863 -12.478 882 2HG1 ILE 40 1HG1 ILE 40 2.310 -1.023 -14.225 883 1HG2 ILE 40 2HG2 ILE 40 5.490 1.187 -12.461 884 2HG2 ILE 40 1HG2 ILE 40 4.141 0.570 -11.508 885 3HG2 ILE 40 3HG2 ILE 40 5.373 -0.537 -12.111 886 1HD1 ILE 40 3HD1 ILE 40 4.552 -2.322 -14.120 887 2HD1 ILE 40 2HD1 ILE 40 4.232 -2.451 -12.391 888 3HD1 ILE 40 1HD1 ILE 40 3.099 -3.143 -13.551 889 H PHE 41 H PHE 41 2.709 3.800 -13.209 890 HA PHE 41 HA PHE 41 5.146 5.014 -14.257 891 1HB PHE 41 2HB PHE 41 3.178 6.341 -12.393 892 2HB PHE 41 1HB PHE 41 4.153 7.075 -13.668 893 HD1 PHE 41 HD2 PHE 41 3.574 4.641 -15.631 894 HD2 PHE 41 HD1 PHE 41 1.087 7.286 -13.330 895 HE1 PHE 41 HE2 PHE 41 1.728 4.322 -17.252 896 HE2 PHE 41 HE1 PHE 41 -0.753 6.965 -14.954 897 HZ PHE 41 HZ PHE 41 -0.434 5.484 -16.915 898 H LEU 42 H LEU 42 6.544 6.375 -12.805 899 HA LEU 42 HA LEU 42 6.838 5.114 -10.106 900 1HB LEU 42 2HB LEU 42 8.614 4.938 -12.299 901 2HB LEU 42 1HB LEU 42 9.353 6.068 -11.165 902 HG LEU 42 HG LEU 42 8.879 4.343 -9.343 903 1HD1 LEU 42 1HD1 LEU 42 7.531 3.098 -11.508 904 2HD1 LEU 42 3HD1 LEU 42 8.931 2.093 -11.137 905 3HD1 LEU 42 2HD1 LEU 42 7.757 2.465 -9.877 906 1HD2 LEU 42 1HD2 LEU 42 10.775 3.839 -11.642 907 2HD2 LEU 42 3HD2 LEU 42 11.131 4.571 -10.078 908 3HD2 LEU 42 2HD2 LEU 42 10.794 2.843 -10.187 909 H THR 43 H THR 43 6.680 6.636 -8.531 910 HA THR 43 HA THR 43 7.409 9.459 -9.232 911 HB THR 43 HB THR 43 5.361 8.347 -7.293 912 HG1 THR 43 HG1 THR 43 4.240 10.128 -8.611 913 1HG2 THR 43 3HG2 THR 43 6.461 11.159 -7.532 914 2HG2 THR 43 2HG2 THR 43 4.973 10.753 -6.675 915 3HG2 THR 43 1HG2 THR 43 6.518 10.114 -6.113 916 H ILE 44 H ILE 44 9.494 9.667 -8.492 917 HA ILE 44 HA ILE 44 10.274 8.360 -5.969 918 HB ILE 44 HB ILE 44 12.121 10.185 -7.454 919 1HG1 ILE 44 2HG1 ILE 44 11.238 7.439 -8.409 920 2HG1 ILE 44 1HG1 ILE 44 11.017 8.964 -9.268 921 1HG2 ILE 44 3HG2 ILE 44 12.798 8.957 -5.397 922 2HG2 ILE 44 2HG2 ILE 44 12.440 7.434 -6.212 923 3HG2 ILE 44 1HG2 ILE 44 13.741 8.467 -6.805 924 1HD1 ILE 44 2HD1 ILE 44 13.738 7.910 -8.471 925 2HD1 ILE 44 1HD1 ILE 44 12.999 7.574 -10.037 926 3HD1 ILE 44 3HD1 ILE 44 13.378 9.233 -9.579 927 H ASN 45 H ASN 45 10.435 9.403 -4.043 928 HA ASN 45 HA ASN 45 9.714 12.266 -3.958 929 1HB ASN 45 2HB ASN 45 9.765 10.008 -2.015 930 2HB ASN 45 1HB ASN 45 10.019 11.629 -1.364 931 1HD2 ASN 45 2HD2 ASN 45 6.432 11.611 -1.247 932 2HD2 ASN 45 1HD2 ASN 45 7.824 11.326 -0.319 933 H ALA 46 H ALA 46 11.048 13.847 -2.990 934 HA ALA 46 HA ALA 46 13.719 13.990 -3.592 935 1HB ALA 46 3HB ALA 46 11.969 15.544 -2.121 936 2HB ALA 46 2HB ALA 46 13.218 15.137 -0.944 937 3HB ALA 46 1HB ALA 46 13.655 15.939 -2.453 938 H ASP 47 H ASP 47 12.356 12.094 -0.985 939 HA ASP 47 HA ASP 47 14.963 11.719 0.316 940 1HB ASP 47 2HB ASP 47 12.192 10.610 0.777 941 2HB ASP 47 1HB ASP 47 13.594 9.961 1.627 942 H GLY 48 H GLY 48 14.768 10.943 -2.497 943 1HA GLY 48 2HA GLY 48 15.240 9.117 -3.899 944 2HA GLY 48 1HA GLY 48 16.184 8.537 -2.524 945 H SER 49 H SER 49 12.726 9.068 -2.334 946 HA SER 49 HA SER 49 12.380 6.200 -1.680 947 1HB SER 49 2HB SER 49 9.996 7.934 -1.728 948 2HB SER 49 1HB SER 49 10.581 6.860 -0.459 949 HG SER 49 HG SER 49 12.103 8.444 0.092 950 H VAL 50 H VAL 50 10.782 4.891 -2.776 951 HA VAL 50 HA VAL 50 10.255 5.843 -5.563 952 HB VAL 50 HB VAL 50 10.255 2.942 -4.748 953 1HG1 VAL 50 3HG1 VAL 50 10.536 4.545 -7.284 954 2HG1 VAL 50 2HG1 VAL 50 11.119 2.882 -7.206 955 3HG1 VAL 50 1HG1 VAL 50 9.413 3.233 -6.928 956 1HG2 VAL 50 3HG2 VAL 50 12.547 4.794 -4.931 957 2HG2 VAL 50 2HG2 VAL 50 12.442 3.206 -4.168 958 3HG2 VAL 50 1HG2 VAL 50 12.712 3.334 -5.907 959 OH TYR 51 OH TYR 51 0.467 5.858 -2.716 960 H TYR 51 H TYR 51 8.152 6.126 -6.074 961 HA TYR 51 HA TYR 51 6.097 4.618 -4.516 962 1HB TYR 51 2HB TYR 51 6.368 7.094 -3.860 963 2HB TYR 51 1HB TYR 51 5.715 7.467 -5.455 964 HD1 TYR 51 HD2 TYR 51 4.865 4.714 -3.063 965 HD2 TYR 51 HD1 TYR 51 3.521 8.237 -5.121 966 HE1 TYR 51 HE2 TYR 51 2.567 4.333 -2.214 967 HE2 TYR 51 HE1 TYR 51 1.224 7.856 -4.271 968 HH TYR 51 HH TYR 51 0.120 5.068 -3.139 969 H ALA 52 H ALA 52 6.157 3.187 -6.430 970 HA ALA 52 HA ALA 52 5.397 4.280 -9.028 971 1HB ALA 52 1HB ALA 52 6.668 1.993 -8.270 972 2HB ALA 52 3HB ALA 52 5.032 1.382 -8.527 973 3HB ALA 52 2HB ALA 52 5.885 2.201 -9.837 974 H GLU 53 H GLU 53 3.378 3.918 -10.081 975 HA GLU 53 HA GLU 53 1.153 2.930 -8.378 976 1HB GLU 53 2HB GLU 53 1.595 5.699 -9.270 977 2HB GLU 53 1HB GLU 53 -0.008 5.071 -9.658 978 1HG GLU 53 2HG GLU 53 0.654 4.226 -7.009 979 2HG GLU 53 1HG GLU 53 0.963 5.959 -7.123 980 H GLU 54 H GLU 54 -0.751 2.379 -9.642 981 HA GLU 54 HA GLU 54 -0.058 1.764 -12.483 982 1HB GLU 54 2HB GLU 54 -0.604 -0.134 -10.781 983 2HB GLU 54 1HB GLU 54 -2.271 0.424 -10.929 984 1HG GLU 54 2HG GLU 54 -2.333 -0.043 -13.261 985 2HG GLU 54 1HG GLU 54 -0.582 -0.226 -13.348 986 H VAL 55 H VAL 55 -1.475 2.499 -14.074 987 HA VAL 55 HA VAL 55 -4.082 3.600 -13.271 988 HB VAL 55 HB VAL 55 -2.702 5.601 -14.874 989 1HG1 VAL 55 2HG1 VAL 55 -4.816 5.507 -13.188 990 2HG1 VAL 55 1HG1 VAL 55 -3.586 6.117 -12.082 991 3HG1 VAL 55 3HG1 VAL 55 -3.959 7.002 -13.561 992 1HG2 VAL 55 1HG2 VAL 55 -0.718 4.763 -13.610 993 2HG2 VAL 55 3HG2 VAL 55 -1.157 6.408 -13.149 994 3HG2 VAL 55 2HG2 VAL 55 -1.585 5.053 -12.102 995 H LYS 56 H LYS 56 -5.305 2.544 -14.737 996 HA LYS 56 HA LYS 56 -4.734 2.971 -17.604 997 1HB LYS 56 2HB LYS 56 -3.606 0.912 -17.376 998 2HB LYS 56 1HB LYS 56 -4.779 0.297 -16.214 999 1HG LYS 56 2HG LYS 56 -6.059 -0.567 -17.857 1000 2HG LYS 56 1HG LYS 56 -6.067 0.964 -18.732 1001 1HD LYS 56 2HD LYS 56 -4.847 -0.173 -20.279 1002 2HD LYS 56 1HD LYS 56 -3.503 0.117 -19.172 1003 1HE LYS 56 2HE LYS 56 -3.629 -2.041 -18.252 1004 2HE LYS 56 1HE LYS 56 -5.287 -2.281 -18.801 1005 1HZ LYS 56 2HZ LYS 56 -3.210 -1.836 -20.816 1006 2HZ LYS 56 1HZ LYS 56 -3.271 -3.354 -20.056 1007 3HZ LYS 56 3HZ LYS 56 -4.621 -2.777 -20.906 1008 HA PRO 57 HA PRO 57 -9.138 3.371 -17.381 1009 1HB PRO 57 2HB PRO 57 -9.567 3.656 -20.082 1010 2HB PRO 57 1HB PRO 57 -8.953 4.952 -19.042 1011 1HG PRO 57 2HG PRO 57 -7.476 3.272 -21.018 1012 2HG PRO 57 1HG PRO 57 -7.129 4.918 -20.463 1013 1HD PRO 57 2HD PRO 57 -5.800 2.581 -19.603 1014 2HD PRO 57 1HD PRO 57 -5.733 4.166 -18.805 1015 H PHE 58 H PHE 58 -10.990 2.066 -17.798 1016 HA PHE 58 HA PHE 58 -10.350 -0.664 -18.777 1017 1HB PHE 58 2HB PHE 58 -11.917 -1.445 -17.289 1018 2HB PHE 58 1HB PHE 58 -11.596 0.091 -16.499 1019 HD1 PHE 58 HD1 PHE 58 -12.976 2.094 -17.983 1020 HD2 PHE 58 HD2 PHE 58 -14.187 -1.956 -17.218 1021 HE1 PHE 58 HE1 PHE 58 -15.349 2.746 -18.289 1022 HE2 PHE 58 HE2 PHE 58 -16.558 -1.304 -17.522 1023 HZ PHE 58 HZ PHE 58 -17.140 1.047 -18.058 1024 HA PRO 59 HA PRO 59 -12.082 -2.300 -18.902 1025 1HB PRO 59 2HB PRO 59 -12.390 -4.080 -20.972 1026 2HB PRO 59 1HB PRO 59 -13.746 -3.395 -20.061 1027 1HG PRO 59 2HG PRO 59 -12.813 -2.737 -22.816 1028 2HG PRO 59 1HG PRO 59 -14.433 -2.589 -22.115 1029 1HD PRO 59 2HD PRO 59 -12.600 -0.469 -22.513 1030 2HD PRO 59 1HD PRO 59 -14.074 -0.404 -21.524 1031 H SER 60 H SER 60 -10.366 -3.988 -18.988 1032 HA SER 60 HA SER 60 -7.888 -2.946 -20.101 1033 1HB SER 60 2HB SER 60 -8.206 -4.323 -17.928 1034 2HB SER 60 1HB SER 60 -8.256 -5.728 -18.989 1035 HG SER 60 HG SER 60 -6.226 -4.510 -19.864 1036 H ASN 61 H ASN 61 -6.890 -3.561 -21.993 1037 HA ASN 61 HA ASN 61 -8.256 -5.695 -23.585 1038 1HB ASN 61 2HB ASN 61 -7.044 -4.468 -25.532 1039 2HB ASN 61 1HB ASN 61 -8.472 -3.707 -24.829 1040 1HD2 ASN 61 2HD2 ASN 61 -6.586 -1.109 -23.200 1041 2HD2 ASN 61 1HD2 ASN 61 -8.008 -2.027 -23.069 1042 H LYS 62 H LYS 62 -7.074 -7.528 -23.785 1043 HA LYS 62 HA LYS 62 -4.170 -7.353 -24.238 1044 1HB LYS 62 2HB LYS 62 -4.935 -7.599 -21.646 1045 2HB LYS 62 1HB LYS 62 -4.893 -9.297 -22.119 1046 1HG LYS 62 2HG LYS 62 -2.697 -8.535 -21.251 1047 2HG LYS 62 1HG LYS 62 -2.595 -9.032 -22.940 1048 1HD LYS 62 2HD LYS 62 -2.062 -6.945 -23.638 1049 2HD LYS 62 1HD LYS 62 -3.285 -6.199 -22.608 1050 1HE LYS 62 2HE LYS 62 -1.639 -6.852 -20.665 1051 2HE LYS 62 1HE LYS 62 -0.441 -6.911 -21.957 1052 1HZ LYS 62 3HZ LYS 62 -1.133 -4.649 -22.591 1053 2HZ LYS 62 2HZ LYS 62 -2.167 -4.603 -21.244 1054 3HZ LYS 62 1HZ LYS 62 -0.487 -4.721 -21.024 1055 H LYS 63 H LYS 63 -3.613 -8.901 -25.705 1056 HA LYS 63 HA LYS 63 -3.741 -10.847 -27.015 1057 1HB LYS 63 2HB LYS 63 -4.578 -11.621 -24.427 1058 2HB LYS 63 1HB LYS 63 -5.749 -12.314 -25.549 1059 1HG LYS 63 2HG LYS 63 -4.199 -13.685 -26.537 1060 2HG LYS 63 1HG LYS 63 -2.886 -12.526 -26.324 1061 1HD LYS 63 2HD LYS 63 -2.586 -13.120 -24.042 1062 2HD LYS 63 1HD LYS 63 -4.125 -13.978 -23.983 1063 1HE LYS 63 2HE LYS 63 -2.951 -15.366 -25.967 1064 2HE LYS 63 1HE LYS 63 -1.507 -14.861 -25.090 1065 1HZ LYS 63 2HZ LYS 63 -3.666 -15.831 -23.430 1066 2HZ LYS 63 1HZ LYS 63 -2.984 -17.000 -24.457 1067 3HZ LYS 63 3HZ LYS 63 -2.001 -16.164 -23.356 1068 H THR 64 H THR 64 -5.060 -11.507 -28.746 1069 HA THR 64 HA THR 64 -7.944 -10.893 -28.664 1070 HB THR 64 HB THR 64 -7.172 -8.762 -29.417 1071 HG1 THR 64 HG1 THR 64 -7.921 -8.763 -31.556 1072 1HG2 THR 64 3HG2 THR 64 -5.216 -10.410 -30.999 1073 2HG2 THR 64 2HG2 THR 64 -5.616 -8.772 -31.517 1074 3HG2 THR 64 1HG2 THR 64 -4.906 -9.045 -29.927 1075 H THR 65 H THR 65 -8.438 -13.041 -29.109 1076 HA THR 65 HA THR 65 -7.573 -14.021 -31.794 1077 HB THR 65 HB THR 65 -7.597 -15.552 -29.181 1078 HG1 THR 65 HG1 THR 65 -5.570 -15.102 -29.377 1079 1HG2 THR 65 2HG2 THR 65 -7.396 -16.602 -32.018 1080 2HG2 THR 65 1HG2 THR 65 -7.088 -17.555 -30.565 1081 3HG2 THR 65 3HG2 THR 65 -8.704 -16.922 -30.878 1082 H ALA 66 HN ALA 66 -9.097 -15.685 -32.662 1083 HA ALA 66 HA ALA 66 -11.860 -14.898 -32.103 1084 1HB ALA 66 1HB ALA 66 -10.484 -15.930 -34.316 1085 2HB ALA 66 3HB ALA 66 -11.574 -17.226 -33.822 1086 3HB ALA 66 2HB ALA 66 -12.217 -15.629 -34.207 Start of MODEL 12 Raw file had 1086 H/Q atoms Start of MODEL 12 1 1H MET 1 1H MET 1 -23.105 18.956 -11.318 2 2H MET 1 3H MET 1 -22.238 20.397 -11.537 3 3H MET 1 2H MET 1 -22.953 19.625 -12.871 4 HA MET 1 HA MET 1 -21.422 17.894 -12.876 5 1HB MET 1 2HB MET 1 -20.415 20.639 -12.578 6 2HB MET 1 1HB MET 1 -19.202 19.406 -12.233 7 1HG MET 1 2HG MET 1 -18.980 18.961 -14.426 8 2HG MET 1 1HG MET 1 -20.706 18.626 -14.558 9 1HE MET 1 1HE MET 1 -17.814 20.743 -15.309 10 2HE MET 1 3HE MET 1 -18.609 20.060 -16.733 11 3HE MET 1 2HE MET 1 -18.481 21.806 -16.545 12 H GLU 2 H GLU 2 -22.136 16.670 -10.903 13 HA GLU 2 HA GLU 2 -19.908 16.534 -8.983 14 1HB GLU 2 2HB GLU 2 -22.721 17.311 -8.212 15 2HB GLU 2 1HB GLU 2 -21.643 16.515 -7.064 16 1HG GLU 2 2HG GLU 2 -19.947 18.392 -7.891 17 2HG GLU 2 1HG GLU 2 -21.442 19.243 -8.275 18 H GLN 3 H GLN 3 -21.488 14.898 -11.083 19 HA GLN 3 HA GLN 3 -22.512 12.668 -9.451 20 1HB GLN 3 2HB GLN 3 -23.063 13.591 -12.013 21 2HB GLN 3 1HB GLN 3 -22.112 12.133 -12.301 22 1HG GLN 3 2HG GLN 3 -24.041 10.997 -11.970 23 2HG GLN 3 1HG GLN 3 -23.820 11.366 -10.260 24 1HE2 GLN 3 2HE2 GLN 3 -26.033 14.332 -10.594 25 2HE2 GLN 3 1HE2 GLN 3 -24.446 14.043 -10.066 26 NH1 ARG 4 NH2 ARG 4 -16.738 15.798 -10.621 27 NH2 ARG 4 NH1 ARG 4 -18.074 16.281 -12.379 28 H ARG 4 H ARG 4 -20.522 12.086 -8.357 29 HA ARG 4 HA ARG 4 -18.601 10.658 -10.152 30 1HB ARG 4 2HB ARG 4 -17.819 11.831 -7.486 31 2HB ARG 4 1HB ARG 4 -16.777 11.362 -8.830 32 1HG ARG 4 2HG ARG 4 -18.753 13.664 -8.861 33 2HG ARG 4 1HG ARG 4 -17.003 13.820 -8.697 34 1HD ARG 4 2HD ARG 4 -16.603 13.226 -10.900 35 2HD ARG 4 1HD ARG 4 -18.080 12.269 -11.019 36 HE ARG 4 HE ARG 4 -19.298 14.270 -11.505 37 1HH1 ARG 4 1HH2 ARG 4 -16.468 15.181 -9.882 38 2HH1 ARG 4 2HH2 ARG 4 -16.253 16.663 -10.753 39 1HH2 ARG 4 2HH1 ARG 4 -18.828 16.031 -12.987 40 2HH2 ARG 4 1HH1 ARG 4 -17.590 17.145 -12.510 41 H ILE 5 H ILE 5 -18.837 8.504 -9.821 42 HA ILE 5 HA ILE 5 -19.119 7.544 -7.017 43 HB ILE 5 HB ILE 5 -20.763 6.547 -9.360 44 1HG1 ILE 5 2HG1 ILE 5 -22.523 7.408 -7.456 45 2HG1 ILE 5 1HG1 ILE 5 -21.216 8.574 -7.250 46 1HG2 ILE 5 2HG2 ILE 5 -19.973 4.972 -7.411 47 2HG2 ILE 5 1HG2 ILE 5 -21.190 5.837 -6.472 48 3HG2 ILE 5 3HG2 ILE 5 -21.662 4.943 -7.917 49 1HD1 ILE 5 2HD1 ILE 5 -21.755 8.102 -10.065 50 2HD1 ILE 5 1HD1 ILE 5 -23.209 8.635 -9.222 51 3HD1 ILE 5 3HD1 ILE 5 -21.750 9.624 -9.172 52 H THR 6 H THR 6 -18.072 5.569 -6.632 53 HA THR 6 HA THR 6 -15.874 4.884 -8.303 54 HB THR 6 HB THR 6 -17.133 2.867 -6.465 55 HG1 THR 6 HG1 THR 6 -17.175 4.383 -5.014 56 1HG2 THR 6 2HG2 THR 6 -14.338 3.716 -7.230 57 2HG2 THR 6 1HG2 THR 6 -14.653 2.673 -5.843 58 3HG2 THR 6 3HG2 THR 6 -15.102 2.143 -7.464 59 H LEU 7 H LEU 7 -15.561 2.870 -9.524 60 HA LEU 7 HA LEU 7 -17.698 2.349 -11.362 61 1HB LEU 7 2HB LEU 7 -15.497 2.012 -12.182 62 2HB LEU 7 1HB LEU 7 -15.050 1.005 -10.806 63 HG LEU 7 HG LEU 7 -16.558 -0.762 -11.560 64 1HD1 LEU 7 1HD1 LEU 7 -18.223 0.878 -12.568 65 2HD1 LEU 7 3HD1 LEU 7 -17.154 0.974 -13.968 66 3HD1 LEU 7 2HD1 LEU 7 -17.907 -0.561 -13.536 67 1HD2 LEU 7 1HD2 LEU 7 -14.552 0.377 -13.479 68 2HD2 LEU 7 3HD2 LEU 7 -14.481 -1.121 -12.552 69 3HD2 LEU 7 2HD2 LEU 7 -15.512 -1.015 -13.978 70 H LYS 8 H LYS 8 -16.919 1.021 -8.260 71 HA LYS 8 HA LYS 8 -18.422 -1.463 -8.736 72 1HB LYS 8 2HB LYS 8 -17.858 -2.040 -6.470 73 2HB LYS 8 1HB LYS 8 -16.421 -1.318 -7.191 74 1HG LYS 8 2HG LYS 8 -16.770 0.752 -6.065 75 2HG LYS 8 1HG LYS 8 -18.415 0.311 -5.607 76 1HD LYS 8 2HD LYS 8 -17.712 -1.144 -3.937 77 2HD LYS 8 1HD LYS 8 -16.144 -1.418 -4.696 78 1HE LYS 8 2HE LYS 8 -16.382 1.373 -4.084 79 2HE LYS 8 1HE LYS 8 -16.782 0.443 -2.639 80 1HZ LYS 8 1HZ LYS 8 -14.719 -0.869 -3.087 81 2HZ LYS 8 3HZ LYS 8 -14.312 0.279 -4.268 82 3HZ LYS 8 2HZ LYS 8 -14.455 0.750 -2.642 83 H ASP 9 H ASP 9 -18.936 1.680 -7.220 84 HA ASP 9 HA ASP 9 -21.508 0.877 -6.072 85 1HB ASP 9 2HB ASP 9 -19.829 3.322 -6.115 86 2HB ASP 9 1HB ASP 9 -21.569 3.591 -6.004 87 OH TYR 10 OH TYR 10 -24.280 4.613 -15.847 88 H TYR 10 H TYR 10 -20.352 2.215 -9.063 89 HA TYR 10 HA TYR 10 -23.023 3.136 -9.890 90 1HB TYR 10 2HB TYR 10 -21.030 4.365 -10.651 91 2HB TYR 10 1HB TYR 10 -20.407 2.903 -11.417 92 HD1 TYR 10 HD2 TYR 10 -22.035 1.739 -13.117 93 HD2 TYR 10 HD1 TYR 10 -22.321 5.848 -11.921 94 HE1 TYR 10 HE2 TYR 10 -23.332 2.239 -15.171 95 HE2 TYR 10 HE1 TYR 10 -23.618 6.356 -13.974 96 HH TYR 10 HH TYR 10 -23.670 4.950 -16.508 97 H ALA 11 H ALA 11 -20.847 0.408 -10.476 98 HA ALA 11 HA ALA 11 -22.599 -0.786 -12.492 99 1HB ALA 11 3HB ALA 11 -20.002 -1.399 -11.257 100 2HB ALA 11 2HB ALA 11 -20.983 -2.826 -11.589 101 3HB ALA 11 1HB ALA 11 -20.571 -1.715 -12.896 102 H MET 12 H MET 12 -22.353 -0.827 -9.018 103 HA MET 12 HA MET 12 -23.958 -3.277 -8.768 104 1HB MET 12 2HB MET 12 -22.417 -3.174 -7.029 105 2HB MET 12 1HB MET 12 -22.526 -1.419 -6.903 106 1HG MET 12 2HG MET 12 -24.384 -1.490 -5.558 107 2HG MET 12 1HG MET 12 -24.980 -2.984 -6.279 108 1HE MET 12 3HE MET 12 -25.467 -2.922 -3.507 109 2HE MET 12 2HE MET 12 -24.225 -3.310 -2.318 110 3HE MET 12 1HE MET 12 -24.230 -1.727 -3.092 111 NH1 ARG 13 NH1 ARG 13 -29.350 3.223 -3.680 112 NH2 ARG 13 NH2 ARG 13 -30.600 3.466 -5.546 113 H ARG 13 H ARG 13 -24.302 0.167 -7.880 114 HA ARG 13 HA ARG 13 -27.084 -0.091 -7.165 115 1HB ARG 13 2HB ARG 13 -25.203 2.182 -7.650 116 2HB ARG 13 1HB ARG 13 -26.932 2.520 -7.659 117 1HG ARG 13 2HG ARG 13 -25.568 1.005 -5.422 118 2HG ARG 13 1HG ARG 13 -25.804 2.753 -5.394 119 1HD ARG 13 2HD ARG 13 -28.025 0.712 -5.707 120 2HD ARG 13 1HD ARG 13 -27.626 1.546 -4.205 121 HE ARG 13 HE ARG 13 -28.238 3.261 -6.533 122 1HH1 ARG 13 2HH1 ARG 13 -28.482 2.986 -3.245 123 2HH1 ARG 13 1HH1 ARG 13 -30.129 3.509 -3.122 124 1HH2 ARG 13 1HH2 ARG 13 -30.689 3.417 -6.541 125 2HH2 ARG 13 2HH2 ARG 13 -31.377 3.755 -4.988 126 H PHE 14 H PHE 14 -25.393 0.788 -10.146 127 HA PHE 14 HA PHE 14 -28.026 1.069 -11.507 128 1HB PHE 14 2HB PHE 14 -25.280 1.651 -12.645 129 2HB PHE 14 1HB PHE 14 -26.838 2.152 -13.299 130 HD1 PHE 14 HD1 PHE 14 -28.370 3.473 -11.545 131 HD2 PHE 14 HD2 PHE 14 -24.093 3.207 -11.376 132 HE1 PHE 14 HE1 PHE 14 -28.300 5.534 -10.170 133 HE2 PHE 14 HE2 PHE 14 -24.015 5.265 -9.999 134 HZ PHE 14 HZ PHE 14 -26.121 6.431 -9.396 135 H GLY 15 H GLY 15 -25.681 -1.250 -10.909 136 1HA GLY 15 2HA GLY 15 -25.702 -3.489 -11.718 137 2HA GLY 15 1HA GLY 15 -26.798 -2.986 -13.005 138 H GLN 16 H GLN 16 -24.037 -4.416 -12.881 139 HA GLN 16 HA GLN 16 -22.126 -2.739 -14.186 140 1HB GLN 16 2HB GLN 16 -22.461 -5.738 -14.497 141 2HB GLN 16 1HB GLN 16 -20.995 -4.806 -14.803 142 1HG GLN 16 2HG GLN 16 -20.510 -4.582 -12.579 143 2HG GLN 16 1HG GLN 16 -22.210 -4.476 -12.115 144 1HE2 GLN 16 2HE2 GLN 16 -21.608 -7.756 -10.818 145 2HE2 GLN 16 1HE2 GLN 16 -21.714 -6.115 -10.398 146 H THR 17 H THR 17 -25.073 -4.066 -15.297 147 HA THR 17 HA THR 17 -24.391 -4.360 -18.090 148 HB THR 17 HB THR 17 -27.178 -3.642 -17.423 149 HG1 THR 17 HG1 THR 17 -27.494 -5.150 -15.976 150 1HG2 THR 17 2HG2 THR 17 -26.081 -4.810 -19.519 151 2HG2 THR 17 1HG2 THR 17 -26.221 -6.262 -18.526 152 3HG2 THR 17 3HG2 THR 17 -27.663 -5.336 -18.943 153 H LYS 18 H LYS 18 -25.875 -1.739 -16.177 154 HA LYS 18 HA LYS 18 -26.126 0.023 -18.477 155 1HB LYS 18 2HB LYS 18 -26.148 0.699 -15.519 156 2HB LYS 18 1HB LYS 18 -26.723 1.733 -16.827 157 1HG LYS 18 2HG LYS 18 -28.437 0.077 -17.414 158 2HG LYS 18 1HG LYS 18 -27.845 -1.001 -16.150 159 1HD LYS 18 2HD LYS 18 -28.278 0.944 -14.522 160 2HD LYS 18 1HD LYS 18 -29.209 1.674 -15.831 161 1HE LYS 18 2HE LYS 18 -30.441 -0.591 -15.965 162 2HE LYS 18 1HE LYS 18 -29.731 -0.923 -14.385 163 1HZ LYS 18 1HZ LYS 18 -30.930 1.685 -14.602 164 2HZ LYS 18 3HZ LYS 18 -32.037 0.414 -14.799 165 3HZ LYS 18 2HZ LYS 18 -31.096 0.509 -13.387 166 H THR 19 H THR 19 -23.623 -0.708 -16.163 167 HA THR 19 HA THR 19 -22.107 1.731 -16.589 168 HB THR 19 HB THR 19 -20.947 -0.904 -15.672 169 HG1 THR 19 HG1 THR 19 -22.984 0.441 -14.584 170 1HG2 THR 19 2HG2 THR 19 -20.265 1.994 -15.496 171 2HG2 THR 19 1HG2 THR 19 -19.842 0.973 -14.122 172 3HG2 THR 19 3HG2 THR 19 -19.204 0.605 -15.725 173 H ALA 20 H ALA 20 -22.144 -1.494 -18.053 174 HA ALA 20 HA ALA 20 -19.794 -0.913 -19.710 175 1HB ALA 20 3HB ALA 20 -20.841 -3.241 -18.833 176 2HB ALA 20 2HB ALA 20 -21.614 -3.156 -20.416 177 3HB ALA 20 1HB ALA 20 -19.855 -3.130 -20.292 178 H LYS 21 H LYS 21 -23.255 -0.610 -19.955 179 HA LYS 21 HA LYS 21 -23.314 -0.423 -22.860 180 1HB LYS 21 2HB LYS 21 -25.356 -1.073 -21.784 181 2HB LYS 21 1HB LYS 21 -25.300 0.317 -20.699 182 1HG LYS 21 2HG LYS 21 -26.386 1.588 -22.204 183 2HG LYS 21 1HG LYS 21 -25.177 1.224 -23.435 184 1HD LYS 21 2HD LYS 21 -26.344 -0.697 -24.179 185 2HD LYS 21 1HD LYS 21 -27.345 -0.752 -22.725 186 1HE LYS 21 2HE LYS 21 -28.116 1.638 -23.525 187 2HE LYS 21 1HE LYS 21 -27.552 1.074 -25.098 188 1HZ LYS 21 3HZ LYS 21 -28.945 -1.034 -24.326 189 2HZ LYS 21 2HZ LYS 21 -29.810 0.171 -23.498 190 3HZ LYS 21 1HZ LYS 21 -29.636 0.254 -25.187 191 H ASP 22 H ASP 22 -23.224 1.891 -20.175 192 HA ASP 22 HA ASP 22 -23.365 4.201 -21.942 193 1HB ASP 22 2HB ASP 22 -22.915 3.761 -19.013 194 2HB ASP 22 1HB ASP 22 -22.456 5.314 -19.716 195 H LEU 23 H LEU 23 -20.797 2.342 -20.389 196 HA LEU 23 HA LEU 23 -18.722 4.208 -21.296 197 1HB LEU 23 2HB LEU 23 -18.691 1.545 -19.878 198 2HB LEU 23 1HB LEU 23 -17.205 2.288 -20.472 199 HG LEU 23 HG LEU 23 -18.863 4.212 -19.052 200 1HD1 LEU 23 2HD1 LEU 23 -18.371 1.556 -17.823 201 2HD1 LEU 23 1HD1 LEU 23 -18.020 2.961 -16.817 202 3HD1 LEU 23 3HD1 LEU 23 -19.637 2.737 -17.486 203 1HD2 LEU 23 2HD2 LEU 23 -16.044 3.214 -19.087 204 2HD2 LEU 23 1HD2 LEU 23 -16.651 4.857 -19.287 205 3HD2 LEU 23 3HD2 LEU 23 -16.580 4.133 -17.681 206 H GLY 24 H GLY 24 -20.446 1.575 -22.630 207 1HA GLY 24 2HA GLY 24 -20.302 0.648 -24.787 208 2HA GLY 24 1HA GLY 24 -18.987 1.770 -25.127 209 H VAL 25 H VAL 25 -18.225 0.184 -22.302 210 HA VAL 25 HA VAL 25 -16.259 -1.491 -23.714 211 HB VAL 25 HB VAL 25 -15.670 -2.111 -21.249 212 1HG1 VAL 25 3HG1 VAL 25 -14.612 -0.369 -22.910 213 2HG1 VAL 25 2HG1 VAL 25 -15.367 0.818 -21.846 214 3HG1 VAL 25 1HG1 VAL 25 -14.178 -0.314 -21.202 215 1HG2 VAL 25 1HG2 VAL 25 -17.932 -1.151 -20.472 216 2HG2 VAL 25 3HG2 VAL 25 -16.508 -0.670 -19.550 217 3HG2 VAL 25 2HG2 VAL 25 -17.211 0.438 -20.729 218 OH TYR 26 OH TYR 26 -12.474 -4.160 -26.080 219 H TYR 26 H TYR 26 -15.965 -3.787 -22.482 220 HA TYR 26 HA TYR 26 -18.542 -5.169 -22.938 221 1HB TYR 26 2HB TYR 26 -16.293 -6.854 -22.107 222 2HB TYR 26 1HB TYR 26 -17.304 -6.967 -23.543 223 HD1 TYR 26 HD2 TYR 26 -16.899 -4.889 -25.257 224 HD2 TYR 26 HD1 TYR 26 -14.036 -6.448 -22.460 225 HE1 TYR 26 HE2 TYR 26 -15.052 -3.957 -26.627 226 HE2 TYR 26 HE1 TYR 26 -12.190 -5.517 -23.829 227 HH TYR 26 HH TYR 26 -11.888 -3.671 -25.497 228 H GLN 27 H GLN 27 -19.365 -6.706 -21.328 229 HA GLN 27 HA GLN 27 -19.327 -5.632 -18.659 230 1HB GLN 27 2HB GLN 27 -20.562 -7.957 -20.031 231 2HB GLN 27 1HB GLN 27 -20.333 -8.121 -18.289 232 1HG GLN 27 2HG GLN 27 -22.105 -6.789 -17.918 233 2HG GLN 27 1HG GLN 27 -21.321 -5.489 -18.815 234 1HE2 GLN 27 2HE2 GLN 27 -24.573 -6.601 -20.484 235 2HE2 GLN 27 1HE2 GLN 27 -24.219 -6.244 -18.862 236 H SER 28 H SER 28 -17.610 -8.260 -20.254 237 HA SER 28 HA SER 28 -16.487 -9.423 -17.878 238 1HB SER 28 2HB SER 28 -16.532 -10.218 -20.431 239 2HB SER 28 1HB SER 28 -14.948 -9.448 -20.439 240 HG SER 28 HG SER 28 -15.679 -11.813 -19.416 241 H ALA 29 H ALA 29 -15.824 -6.513 -19.600 242 HA ALA 29 HA ALA 29 -13.066 -6.252 -18.647 243 1HB ALA 29 3HB ALA 29 -14.855 -4.800 -20.435 244 2HB ALA 29 2HB ALA 29 -14.003 -3.707 -19.344 245 3HB ALA 29 1HB ALA 29 -13.092 -4.801 -20.387 246 H ILE 30 H ILE 30 -16.237 -4.881 -17.890 247 HA ILE 30 HA ILE 30 -15.401 -3.232 -15.711 248 HB ILE 30 HB ILE 30 -18.017 -4.574 -16.421 249 1HG1 ILE 30 2HG1 ILE 30 -18.034 -1.697 -16.233 250 2HG1 ILE 30 1HG1 ILE 30 -16.684 -2.211 -17.247 251 1HG2 ILE 30 1HG2 ILE 30 -17.787 -4.328 -13.937 252 2HG2 ILE 30 3HG2 ILE 30 -17.542 -2.598 -14.176 253 3HG2 ILE 30 2HG2 ILE 30 -19.079 -3.342 -14.623 254 1HD1 ILE 30 1HD1 ILE 30 -19.028 -3.787 -17.855 255 2HD1 ILE 30 3HD1 ILE 30 -19.407 -2.070 -17.981 256 3HD1 ILE 30 2HD1 ILE 30 -18.082 -2.752 -18.925 257 H ASN 31 H ASN 31 -16.146 -6.649 -16.005 258 HA ASN 31 HA ASN 31 -16.318 -7.246 -13.201 259 1HB ASN 31 2HB ASN 31 -16.178 -8.731 -15.717 260 2HB ASN 31 1HB ASN 31 -15.279 -9.525 -14.423 261 1HD2 ASN 31 2HD2 ASN 31 -18.175 -10.317 -12.519 262 2HD2 ASN 31 1HD2 ASN 31 -16.482 -10.206 -12.503 263 H LYS 32 H LYS 32 -13.607 -7.500 -15.523 264 HA LYS 32 HA LYS 32 -11.649 -8.374 -13.659 265 1HB LYS 32 2HB LYS 32 -11.577 -6.954 -16.297 266 2HB LYS 32 1HB LYS 32 -10.094 -7.037 -15.347 267 1HG LYS 32 2HG LYS 32 -9.941 -9.342 -15.524 268 2HG LYS 32 1HG LYS 32 -11.683 -9.547 -15.713 269 1HD LYS 32 2HD LYS 32 -11.620 -9.182 -17.975 270 2HD LYS 32 1HD LYS 32 -10.301 -8.016 -17.853 271 1HE LYS 32 2HE LYS 32 -9.169 -10.426 -17.007 272 2HE LYS 32 1HE LYS 32 -10.185 -10.880 -18.375 273 1HZ LYS 32 3HZ LYS 32 -9.130 -9.102 -19.664 274 2HZ LYS 32 2HZ LYS 32 -8.106 -8.759 -18.353 275 3HZ LYS 32 1HZ LYS 32 -8.007 -10.260 -19.142 276 H ALA 33 H ALA 33 -12.916 -5.169 -14.361 277 HA ALA 33 HA ALA 33 -10.866 -3.696 -12.977 278 1HB ALA 33 3HB ALA 33 -13.672 -3.090 -13.868 279 2HB ALA 33 2HB ALA 33 -12.813 -1.954 -12.828 280 3HB ALA 33 1HB ALA 33 -12.156 -2.370 -14.410 281 H ILE 34 H ILE 34 -13.934 -5.129 -11.953 282 HA ILE 34 HA ILE 34 -13.712 -4.019 -9.252 283 HB ILE 34 HB ILE 34 -15.568 -6.023 -10.549 284 1HG1 ILE 34 2HG1 ILE 34 -16.627 -3.647 -9.187 285 2HG1 ILE 34 1HG1 ILE 34 -15.527 -3.256 -10.511 286 1HG2 ILE 34 1HG2 ILE 34 -15.270 -5.235 -7.653 287 2HG2 ILE 34 3HG2 ILE 34 -16.835 -5.730 -8.299 288 3HG2 ILE 34 2HG2 ILE 34 -15.470 -6.848 -8.339 289 1HD1 ILE 34 1HD1 ILE 34 -16.912 -5.085 -11.808 290 2HD1 ILE 34 3HD1 ILE 34 -18.140 -4.727 -10.594 291 3HD1 ILE 34 2HD1 ILE 34 -17.547 -3.448 -11.652 292 H HIS 35 H HIS 35 -12.664 -6.863 -10.932 293 HA HIS 35 HA HIS 35 -12.253 -8.485 -8.551 294 1HB HIS 35 2HB HIS 35 -11.523 -8.697 -11.459 295 2HB HIS 35 1HB HIS 35 -10.751 -9.769 -10.287 296 HD1 HIS 35 HD1 HIS 35 -14.313 -8.572 -9.965 297 HD2 HIS 35 HD2 HIS 35 -12.255 -12.062 -10.943 298 HE1 HIS 35 HE1 HIS 35 -16.040 -10.427 -10.036 299 H ALA 36 H ALA 36 -10.463 -6.061 -10.292 300 HA ALA 36 HA ALA 36 -7.925 -6.775 -8.967 301 1HB ALA 36 3HB ALA 36 -8.647 -4.464 -10.800 302 2HB ALA 36 2HB ALA 36 -7.021 -4.831 -10.220 303 3HB ALA 36 1HB ALA 36 -7.854 -5.962 -11.286 304 H GLY 37 H GLY 37 -10.693 -4.927 -8.293 305 1HA GLY 37 2HA GLY 37 -11.161 -3.316 -6.648 306 2HA GLY 37 1HA GLY 37 -9.848 -4.077 -5.747 307 NH1 ARG 38 NH2 ARG 38 -4.674 -4.320 -12.336 308 NH2 ARG 38 NH1 ARG 38 -3.231 -4.793 -10.660 309 H ARG 38 H ARG 38 -9.316 -2.624 -8.886 310 HA ARG 38 HA ARG 38 -7.243 -0.902 -7.814 311 1HB ARG 38 2HB ARG 38 -8.195 -1.741 -10.420 312 2HB ARG 38 1HB ARG 38 -7.927 0.003 -10.392 313 1HG ARG 38 2HG ARG 38 -5.692 -0.268 -10.370 314 2HG ARG 38 1HG ARG 38 -5.789 -1.392 -9.013 315 1HD ARG 38 2HD ARG 38 -6.742 -2.980 -10.980 316 2HD ARG 38 1HD ARG 38 -5.669 -1.950 -11.927 317 HE ARG 38 HE ARG 38 -4.305 -2.861 -9.570 318 1HH1 ARG 38 1HH2 ARG 38 -5.418 -3.768 -12.709 319 2HH1 ARG 38 2HH2 ARG 38 -4.287 -5.067 -12.877 320 1HH2 ARG 38 2HH1 ARG 38 -2.871 -4.600 -9.747 321 2HH2 ARG 38 1HH1 ARG 38 -2.847 -5.540 -11.203 322 H LYS 39 H LYS 39 -7.317 1.529 -8.432 323 HA LYS 39 HA LYS 39 -9.791 2.628 -7.284 324 1HB LYS 39 2HB LYS 39 -7.045 3.625 -7.858 325 2HB LYS 39 1HB LYS 39 -8.340 4.820 -7.885 326 1HG LYS 39 2HG LYS 39 -8.238 4.880 -5.634 327 2HG LYS 39 1HG LYS 39 -8.841 3.223 -5.620 328 1HD LYS 39 2HD LYS 39 -6.423 2.480 -5.963 329 2HD LYS 39 1HD LYS 39 -5.960 4.146 -5.612 330 1HE LYS 39 2HE LYS 39 -7.744 2.577 -3.747 331 2HE LYS 39 1HE LYS 39 -5.986 2.499 -3.628 332 1HZ LYS 39 1HZ LYS 39 -6.353 5.126 -3.770 333 2HZ LYS 39 3HZ LYS 39 -7.793 4.681 -2.992 334 3HZ LYS 39 2HZ LYS 39 -6.294 4.271 -2.303 335 H ILE 40 H ILE 40 -10.999 1.795 -9.210 336 HA ILE 40 HA ILE 40 -10.684 3.509 -11.619 337 HB ILE 40 HB ILE 40 -12.430 1.078 -11.104 338 1HG1 ILE 40 2HG1 ILE 40 -9.998 1.489 -12.877 339 2HG1 ILE 40 1HG1 ILE 40 -10.002 0.615 -11.343 340 1HG2 ILE 40 1HG2 ILE 40 -12.135 2.912 -13.489 341 2HG2 ILE 40 3HG2 ILE 40 -12.731 1.260 -13.652 342 3HG2 ILE 40 2HG2 ILE 40 -13.617 2.425 -12.667 343 1HD1 ILE 40 2HD1 ILE 40 -12.062 -0.247 -13.285 344 2HD1 ILE 40 1HD1 ILE 40 -10.397 -0.576 -13.762 345 3HD1 ILE 40 3HD1 ILE 40 -11.021 -1.216 -12.242 346 H PHE 41 H PHE 41 -11.571 5.460 -11.058 347 HA PHE 41 HA PHE 41 -14.157 5.537 -9.653 348 1HB PHE 41 2HB PHE 41 -12.640 7.891 -10.785 349 2HB PHE 41 1HB PHE 41 -13.770 7.869 -9.429 350 HD1 PHE 41 HD2 PHE 41 -13.127 6.870 -7.265 351 HD2 PHE 41 HD1 PHE 41 -10.324 7.158 -10.511 352 HE1 PHE 41 HE2 PHE 41 -11.264 6.438 -5.693 353 HE2 PHE 41 HE1 PHE 41 -8.463 6.721 -8.930 354 HZ PHE 41 HZ PHE 41 -8.932 6.364 -6.526 355 H LEU 42 H LEU 42 -16.021 6.623 -10.567 356 HA LEU 42 HA LEU 42 -16.036 6.596 -13.559 357 1HB LEU 42 2HB LEU 42 -17.756 5.288 -11.593 358 2HB LEU 42 1HB LEU 42 -18.680 6.291 -12.711 359 HG LEU 42 HG LEU 42 -17.793 5.131 -14.618 360 1HD1 LEU 42 3HD1 LEU 42 -15.938 3.810 -12.617 361 2HD1 LEU 42 2HD1 LEU 42 -16.129 3.263 -14.283 362 3HD1 LEU 42 1HD1 LEU 42 -15.482 4.869 -13.952 363 1HD2 LEU 42 2HD2 LEU 42 -18.812 3.508 -12.331 364 2HD2 LEU 42 1HD2 LEU 42 -19.515 3.763 -13.929 365 3HD2 LEU 42 3HD2 LEU 42 -18.182 2.627 -13.723 366 H THR 43 H THR 43 -16.061 8.713 -14.189 367 HA THR 43 HA THR 43 -17.615 10.653 -12.549 368 HB THR 43 HB THR 43 -15.299 10.878 -14.442 369 HG1 THR 43 HG1 THR 43 -14.420 11.408 -12.635 370 1HG2 THR 43 2HG2 THR 43 -17.167 13.162 -13.738 371 2HG2 THR 43 1HG2 THR 43 -15.624 13.320 -14.577 372 3HG2 THR 43 3HG2 THR 43 -16.962 12.466 -15.345 373 H ILE 44 H ILE 44 -19.671 10.884 -13.241 374 HA ILE 44 HA ILE 44 -20.210 10.734 -16.178 375 HB ILE 44 HB ILE 44 -22.369 10.568 -14.099 376 1HG1 ILE 44 2HG1 ILE 44 -21.763 7.939 -14.578 377 2HG1 ILE 44 1HG1 ILE 44 -20.152 8.655 -14.513 378 1HG2 ILE 44 2HG2 ILE 44 -22.919 10.656 -16.513 379 2HG2 ILE 44 1HG2 ILE 44 -21.919 9.229 -16.787 380 3HG2 ILE 44 3HG2 ILE 44 -23.379 9.107 -15.805 381 1HD1 ILE 44 1HD1 ILE 44 -22.225 9.262 -12.405 382 2HD1 ILE 44 3HD1 ILE 44 -21.178 7.849 -12.284 383 3HD1 ILE 44 2HD1 ILE 44 -20.476 9.467 -12.313 384 H ASN 45 H ASN 45 -19.798 12.952 -16.639 385 HA ASN 45 HA ASN 45 -20.647 15.173 -15.135 386 1HB ASN 45 2HB ASN 45 -19.977 14.704 -17.999 387 2HB ASN 45 1HB ASN 45 -20.843 16.190 -17.608 388 1HD2 ASN 45 2HD2 ASN 45 -17.050 16.549 -17.192 389 2HD2 ASN 45 1HD2 ASN 45 -17.955 15.827 -18.434 390 H ALA 46 H ALA 46 -22.501 16.426 -15.151 391 HA ALA 46 HA ALA 46 -25.014 15.299 -15.162 392 1HB ALA 46 3HB ALA 46 -24.221 18.119 -15.921 393 2HB ALA 46 2HB ALA 46 -25.892 17.624 -15.648 394 3HB ALA 46 1HB ALA 46 -24.720 17.536 -14.333 395 H ASP 47 H ASP 47 -23.152 16.126 -17.991 396 HA ASP 47 HA ASP 47 -25.471 16.046 -19.781 397 1HB ASP 47 2HB ASP 47 -23.219 17.347 -20.095 398 2HB ASP 47 1HB ASP 47 -22.614 15.802 -20.693 399 H GLY 48 H GLY 48 -24.975 13.670 -18.097 400 1HA GLY 48 2HA GLY 48 -24.854 11.339 -18.303 401 2HA GLY 48 1HA GLY 48 -25.513 11.609 -19.920 402 H SER 49 H SER 49 -22.476 13.061 -19.030 403 HA SER 49 HA SER 49 -21.154 11.415 -21.112 404 1HB SER 49 2HB SER 49 -20.767 14.066 -19.980 405 2HB SER 49 1HB SER 49 -19.261 13.154 -19.995 406 HG SER 49 HG SER 49 -20.841 14.066 -22.089 407 H VAL 50 H VAL 50 -20.201 9.531 -20.465 408 HA VAL 50 HA VAL 50 -19.538 9.107 -17.646 409 HB VAL 50 HB VAL 50 -18.866 7.349 -20.026 410 1HG1 VAL 50 2HG1 VAL 50 -18.651 7.124 -17.066 411 2HG1 VAL 50 1HG1 VAL 50 -19.209 5.691 -17.929 412 3HG1 VAL 50 3HG1 VAL 50 -17.646 6.406 -18.325 413 1HG2 VAL 50 1HG2 VAL 50 -21.388 7.834 -18.538 414 2HG2 VAL 50 3HG2 VAL 50 -21.147 7.217 -20.172 415 3HG2 VAL 50 2HG2 VAL 50 -20.964 6.141 -18.787 416 OH TYR 51 OH TYR 51 -10.452 12.915 -19.413 417 H TYR 51 H TYR 51 -17.405 8.796 -16.833 418 HA TYR 51 HA TYR 51 -15.108 9.298 -18.594 419 1HB TYR 51 2HB TYR 51 -16.200 11.553 -17.776 420 2HB TYR 51 1HB TYR 51 -15.404 11.160 -16.255 421 HD1 TYR 51 HD2 TYR 51 -12.903 9.948 -16.970 422 HD2 TYR 51 HD1 TYR 51 -14.971 13.180 -18.899 423 HE1 TYR 51 HE2 TYR 51 -10.752 10.782 -17.882 424 HE2 TYR 51 HE1 TYR 51 -12.821 14.014 -19.810 425 HH TYR 51 HH TYR 51 -10.211 13.707 -18.928 426 H ALA 52 H ALA 52 -14.972 7.034 -17.642 427 HA ALA 52 HA ALA 52 -14.339 6.822 -14.799 428 1HB ALA 52 1HB ALA 52 -15.412 4.969 -16.082 429 2HB ALA 52 3HB ALA 52 -13.926 4.793 -17.015 430 3HB ALA 52 2HB ALA 52 -13.923 4.467 -15.282 431 H GLU 53 H GLU 53 -12.319 6.720 -13.885 432 HA GLU 53 HA GLU 53 -9.958 6.821 -15.714 433 1HB GLU 53 2HB GLU 53 -10.897 8.860 -13.826 434 2HB GLU 53 1HB GLU 53 -9.223 8.380 -13.545 435 1HG GLU 53 2HG GLU 53 -9.601 8.623 -16.365 436 2HG GLU 53 1HG GLU 53 -10.246 10.077 -15.604 437 H GLU 54 H GLU 54 -7.928 6.302 -14.538 438 HA GLU 54 HA GLU 54 -8.451 4.412 -12.278 439 1HB GLU 54 2HB GLU 54 -7.677 3.473 -14.598 440 2HB GLU 54 1HB GLU 54 -6.103 4.132 -14.148 441 1HG GLU 54 2HG GLU 54 -5.767 2.570 -12.518 442 2HG GLU 54 1HG GLU 54 -7.463 2.569 -12.033 443 H VAL 55 H VAL 55 -7.320 4.890 -10.439 444 HA VAL 55 HA VAL 55 -4.814 6.427 -10.648 445 HB VAL 55 HB VAL 55 -6.703 7.608 -8.699 446 1HG1 VAL 55 3HG1 VAL 55 -4.319 8.330 -9.454 447 2HG1 VAL 55 2HG1 VAL 55 -5.133 8.975 -10.880 448 3HG1 VAL 55 1HG1 VAL 55 -5.550 9.582 -9.276 449 1HG2 VAL 55 1HG2 VAL 55 -8.186 7.163 -10.690 450 2HG2 VAL 55 3HG2 VAL 55 -7.958 8.879 -10.355 451 3HG2 VAL 55 2HG2 VAL 55 -7.073 8.111 -11.673 452 H LYS 56 H LYS 56 -3.662 4.863 -9.580 453 HA LYS 56 HA LYS 56 -4.217 4.546 -6.699 454 1HB LYS 56 2HB LYS 56 -5.465 2.683 -7.620 455 2HB LYS 56 1HB LYS 56 -4.111 2.229 -8.651 456 1HG LYS 56 2HG LYS 56 -3.751 2.363 -5.665 457 2HG LYS 56 1HG LYS 56 -4.476 0.937 -6.406 458 1HD LYS 56 2HD LYS 56 -2.210 1.586 -7.975 459 2HD LYS 56 1HD LYS 56 -1.697 1.682 -6.290 460 1HE LYS 56 2HE LYS 56 -1.381 -0.589 -6.795 461 2HE LYS 56 1HE LYS 56 -2.966 -0.579 -6.020 462 1HZ LYS 56 3HZ LYS 56 -2.558 -0.407 -8.953 463 2HZ LYS 56 2HZ LYS 56 -2.866 -1.858 -8.125 464 3HZ LYS 56 1HZ LYS 56 -4.029 -0.618 -8.132 465 HA PRO 57 HA PRO 57 0.203 4.871 -7.015 466 1HB PRO 57 2HB PRO 57 0.695 4.743 -4.309 467 2HB PRO 57 1HB PRO 57 0.135 6.203 -5.142 468 1HG PRO 57 2HG PRO 57 -1.392 4.342 -3.381 469 2HG PRO 57 1HG PRO 57 -1.669 6.062 -3.704 470 1HD PRO 57 2HD PRO 57 -3.119 3.919 -4.841 471 2HD PRO 57 1HD PRO 57 -3.134 5.602 -5.408 472 H PHE 58 H PHE 58 1.040 2.978 -7.862 473 HA PHE 58 HA PHE 58 0.824 0.451 -6.368 474 1HB PHE 58 2HB PHE 58 0.676 -0.138 -8.571 475 2HB PHE 58 1HB PHE 58 1.552 1.288 -9.113 476 HD1 PHE 58 HD1 PHE 58 4.026 1.306 -9.153 477 HD2 PHE 58 HD2 PHE 58 1.815 -2.214 -8.073 478 HE1 PHE 58 HE1 PHE 58 6.064 -0.071 -9.473 479 HE2 PHE 58 HE2 PHE 58 3.852 -3.591 -8.393 480 HZ PHE 58 HZ PHE 58 5.977 -2.520 -9.094 481 HA PRO 59 HA PRO 59 1.793 -1.341 -6.257 482 1HB PRO 59 2HB PRO 59 2.769 -2.730 -4.098 483 2HB PRO 59 1HB PRO 59 3.510 -2.780 -5.706 484 1HG PRO 59 2HG PRO 59 4.453 -1.386 -3.253 485 2HG PRO 59 1HG PRO 59 5.384 -1.955 -4.647 486 1HD PRO 59 2HD PRO 59 4.586 0.726 -4.134 487 2HD PRO 59 1HD PRO 59 5.292 0.103 -5.640 488 H SER 60 H SER 60 2.547 -1.209 -2.816 489 HA SER 60 HA SER 60 -0.306 -0.722 -2.229 490 1HB SER 60 2HB SER 60 0.230 -2.181 -0.584 491 2HB SER 60 1HB SER 60 1.954 -1.967 -0.867 492 HG SER 60 HG SER 60 1.968 -0.791 0.865 493 H ASN 61 H ASN 61 -0.645 0.838 -0.241 494 HA ASN 61 HA ASN 61 1.166 3.191 -0.452 495 1HB ASN 61 2HB ASN 61 -1.100 3.212 -1.887 496 2HB ASN 61 1HB ASN 61 -1.768 3.725 -0.337 497 1HD2 ASN 61 2HD2 ASN 61 -0.469 6.981 -0.608 498 2HD2 ASN 61 1HD2 ASN 61 -1.516 5.910 0.190 499 H LYS 62 H LYS 62 1.122 4.531 1.443 500 HA LYS 62 HA LYS 62 -0.415 3.404 3.745 501 1HB LYS 62 2HB LYS 62 2.433 3.413 3.382 502 2HB LYS 62 1HB LYS 62 2.030 4.503 4.710 503 1HG LYS 62 2HG LYS 62 0.407 2.477 5.365 504 2HG LYS 62 1HG LYS 62 1.629 1.555 4.488 505 1HD LYS 62 2HD LYS 62 3.163 3.245 6.038 506 2HD LYS 62 1HD LYS 62 1.807 2.877 7.104 507 1HE LYS 62 2HE LYS 62 3.180 0.671 5.586 508 2HE LYS 62 1HE LYS 62 3.864 1.269 7.097 509 1HZ LYS 62 2HZ LYS 62 1.007 0.665 7.059 510 2HZ LYS 62 1HZ LYS 62 2.077 -0.654 7.033 511 3HZ LYS 62 3HZ LYS 62 2.144 0.464 8.307 512 H LYS 63 H LYS 63 -0.559 5.043 5.569 513 HA LYS 63 HA LYS 63 -1.319 7.630 4.459 514 1HB LYS 63 2HB LYS 63 -2.117 6.171 6.653 515 2HB LYS 63 1HB LYS 63 -1.117 7.425 7.390 516 1HG LYS 63 2HG LYS 63 -2.528 9.125 6.751 517 2HG LYS 63 1HG LYS 63 -3.034 8.293 5.280 518 1HD LYS 63 2HD LYS 63 -3.999 6.616 7.229 519 2HD LYS 63 1HD LYS 63 -4.198 8.198 7.983 520 1HE LYS 63 2HE LYS 63 -6.208 7.817 6.756 521 2HE LYS 63 1HE LYS 63 -5.270 8.952 5.786 522 1HZ LYS 63 3HZ LYS 63 -4.354 6.695 4.802 523 2HZ LYS 63 2HZ LYS 63 -5.884 6.142 5.292 524 3HZ LYS 63 1HZ LYS 63 -5.757 7.435 4.197 525 H THR 64 H THR 64 -0.518 9.324 6.620 526 HA THR 64 HA THR 64 2.301 9.743 5.838 527 HB THR 64 HB THR 64 0.547 11.603 5.921 528 HG1 THR 64 HG1 THR 64 2.803 11.982 7.588 529 1HG2 THR 64 2HG2 THR 64 0.179 10.582 8.505 530 2HG2 THR 64 1HG2 THR 64 1.004 12.122 8.740 531 3HG2 THR 64 3HG2 THR 64 -0.518 12.064 7.851 532 H THR 65 H THR 65 1.046 7.730 7.943 533 HA THR 65 HA THR 65 2.734 8.520 10.264 534 HB THR 65 HB THR 65 0.835 6.171 10.106 535 HG1 THR 65 HG1 THR 65 -0.483 7.845 9.749 536 1HG2 THR 65 1HG2 THR 65 2.540 6.325 11.958 537 2HG2 THR 65 3HG2 THR 65 1.769 7.831 12.460 538 3HG2 THR 65 2HG2 THR 65 0.866 6.317 12.513 539 H ALA 66 HN ALA 66 4.810 7.945 9.512 540 HA ALA 66 HA ALA 66 6.568 6.507 8.894 541 1HB ALA 66 3HB ALA 66 5.748 5.689 11.221 542 2HB ALA 66 2HB ALA 66 5.031 4.347 10.328 543 3HB ALA 66 1HB ALA 66 6.774 4.609 10.276 544 1H MET 1 3H MET 1 15.282 16.747 -17.574 545 2H MET 1 2H MET 1 16.855 17.219 -17.134 546 3H MET 1 1H MET 1 16.617 16.167 -18.446 547 HA MET 1 HA MET 1 15.830 14.434 -17.006 548 1HB MET 1 2HB MET 1 18.439 15.396 -17.134 549 2HB MET 1 1HB MET 1 18.162 15.181 -15.405 550 1HG MET 1 2HG MET 1 18.932 13.064 -16.111 551 2HG MET 1 1HG MET 1 17.179 12.873 -16.060 552 1HE MET 1 1HE MET 1 16.109 11.831 -17.345 553 2HE MET 1 3HE MET 1 15.636 12.827 -18.729 554 3HE MET 1 2HE MET 1 16.421 11.272 -18.986 555 H GLU 2 H GLU 2 15.226 13.758 -14.873 556 HA GLU 2 HA GLU 2 15.316 15.524 -12.595 557 1HB GLU 2 2HB GLU 2 12.772 15.799 -12.473 558 2HB GLU 2 1HB GLU 2 13.606 16.808 -13.656 559 1HG GLU 2 2HG GLU 2 13.134 14.643 -15.194 560 2HG GLU 2 1HG GLU 2 11.767 14.509 -14.088 561 H GLN 3 H GLN 3 13.398 14.595 -10.979 562 HA GLN 3 HA GLN 3 14.009 11.712 -10.844 563 1HB GLN 3 2HB GLN 3 12.647 11.946 -8.648 564 2HB GLN 3 1HB GLN 3 14.211 12.758 -8.728 565 1HG GLN 3 2HG GLN 3 13.226 14.880 -9.075 566 2HG GLN 3 1HG GLN 3 11.670 14.178 -9.523 567 1HE2 GLN 3 1HE2 GLN 3 13.311 15.634 -6.954 568 2HE2 GLN 3 2HE2 GLN 3 12.330 15.086 -5.682 569 NH1 ARG 4 NH2 ARG 4 9.781 15.244 -9.905 570 NH2 ARG 4 NH1 ARG 4 8.059 14.754 -8.525 571 H ARG 4 H ARG 4 12.597 11.865 -12.979 572 HA ARG 4 HA ARG 4 9.955 10.750 -12.227 573 1HB ARG 4 2HB ARG 4 10.265 12.877 -14.367 574 2HB ARG 4 1HB ARG 4 8.763 12.106 -13.857 575 1HG ARG 4 2HG ARG 4 10.504 13.651 -11.930 576 2HG ARG 4 1HG ARG 4 9.240 14.428 -12.880 577 1HD ARG 4 2HD ARG 4 7.720 12.509 -11.954 578 2HD ARG 4 1HD ARG 4 8.968 12.357 -10.718 579 HE ARG 4 HE ARG 4 7.085 14.582 -10.995 580 1HH1 ARG 4 1HH2 ARG 4 10.191 15.231 -10.816 581 2HH1 ARG 4 2HH2 ARG 4 10.278 15.650 -9.138 582 1HH2 ARG 4 2HH1 ARG 4 7.149 14.366 -8.380 583 2HH2 ARG 4 1HH1 ARG 4 8.559 15.156 -7.757 584 H ILE 5 H ILE 5 10.053 8.750 -13.145 585 HA ILE 5 HA ILE 5 10.822 8.553 -16.000 586 HB ILE 5 HB ILE 5 12.037 6.790 -13.856 587 1HG1 ILE 5 2HG1 ILE 5 14.170 7.979 -14.805 588 2HG1 ILE 5 1HG1 ILE 5 13.032 9.224 -15.319 589 1HG2 ILE 5 2HG2 ILE 5 12.125 6.866 -16.853 590 2HG2 ILE 5 1HG2 ILE 5 13.540 6.301 -15.966 591 3HG2 ILE 5 3HG2 ILE 5 11.993 5.475 -15.777 592 1HD1 ILE 5 2HD1 ILE 5 12.355 8.547 -12.646 593 2HD1 ILE 5 1HD1 ILE 5 14.105 8.756 -12.694 594 3HD1 ILE 5 3HD1 ILE 5 13.047 10.060 -13.231 595 H THR 6 H THR 6 10.004 6.563 -16.984 596 HA THR 6 HA THR 6 7.487 5.703 -15.799 597 HB THR 6 HB THR 6 8.752 4.249 -18.096 598 HG1 THR 6 HG1 THR 6 7.565 6.812 -18.298 599 1HG2 THR 6 1HG2 THR 6 6.274 4.209 -16.923 600 2HG2 THR 6 3HG2 THR 6 6.021 5.340 -18.251 601 3HG2 THR 6 2HG2 THR 6 6.602 3.709 -18.582 602 H LEU 7 H LEU 7 6.989 3.465 -15.224 603 HA LEU 7 HA LEU 7 8.933 2.236 -13.545 604 1HB LEU 7 2HB LEU 7 6.620 1.763 -13.131 605 2HB LEU 7 1HB LEU 7 6.372 1.197 -14.781 606 HG LEU 7 HG LEU 7 7.848 -0.714 -14.380 607 1HD1 LEU 7 3HD1 LEU 7 8.635 0.908 -12.113 608 2HD1 LEU 7 2HD1 LEU 7 8.164 -0.706 -11.581 609 3HD1 LEU 7 1HD1 LEU 7 9.433 -0.511 -12.790 610 1HD2 LEU 7 1HD2 LEU 7 5.360 -0.669 -13.655 611 2HD2 LEU 7 3HD2 LEU 7 6.372 -1.962 -13.011 612 3HD2 LEU 7 2HD2 LEU 7 5.984 -0.564 -12.010 613 H LYS 8 H LYS 8 8.401 2.043 -16.957 614 HA LYS 8 HA LYS 8 9.911 -0.478 -17.218 615 1HB LYS 8 2HB LYS 8 9.374 -0.375 -19.541 616 2HB LYS 8 1HB LYS 8 7.928 0.170 -18.693 617 1HG LYS 8 2HG LYS 8 8.416 2.472 -19.159 618 2HG LYS 8 1HG LYS 8 10.032 2.076 -19.745 619 1HD LYS 8 2HD LYS 8 9.241 1.701 -21.815 620 2HD LYS 8 1HD LYS 8 8.074 0.534 -21.194 621 1HE LYS 8 2HE LYS 8 6.969 2.438 -22.358 622 2HE LYS 8 1HE LYS 8 6.508 2.334 -20.658 623 1HZ LYS 8 2HZ LYS 8 8.835 3.894 -20.895 624 2HZ LYS 8 1HZ LYS 8 7.673 4.486 -21.982 625 3HZ LYS 8 3HZ LYS 8 7.300 4.358 -20.333 626 H ASP 9 H ASP 9 10.452 2.959 -17.392 627 HA ASP 9 HA ASP 9 13.015 2.662 -18.804 628 1HB ASP 9 2HB ASP 9 11.585 5.018 -17.558 629 2HB ASP 9 1HB ASP 9 13.195 5.148 -18.267 630 OH TYR 10 OH TYR 10 15.679 2.450 -8.297 631 H TYR 10 H TYR 10 11.849 2.787 -15.533 632 HA TYR 10 HA TYR 10 14.503 3.383 -14.410 633 1HB TYR 10 2HB TYR 10 12.516 4.220 -13.246 634 2HB TYR 10 1HB TYR 10 11.882 2.581 -13.106 635 HD1 TYR 10 HD2 TYR 10 15.321 3.987 -12.573 636 HD2 TYR 10 HD1 TYR 10 11.951 1.946 -10.868 637 HE1 TYR 10 HE2 TYR 10 16.583 3.667 -10.461 638 HE2 TYR 10 HE1 TYR 10 13.210 1.629 -8.756 639 HH TYR 10 HH TYR 10 15.680 3.285 -7.824 640 H ALA 11 H ALA 11 12.419 0.606 -14.988 641 HA ALA 11 HA ALA 11 14.192 -1.209 -13.506 642 1HB ALA 11 3HB ALA 11 11.515 -1.297 -14.539 643 2HB ALA 11 2HB ALA 11 12.422 -2.656 -15.202 644 3HB ALA 11 1HB ALA 11 12.308 -2.440 -13.456 645 H MET 12 H MET 12 13.706 -0.134 -16.806 646 HA MET 12 HA MET 12 15.445 -2.271 -17.868 647 1HB MET 12 2HB MET 12 14.116 0.087 -19.237 648 2HB MET 12 1HB MET 12 15.005 -1.197 -20.059 649 1HG MET 12 2HG MET 12 12.961 -2.210 -18.216 650 2HG MET 12 1HG MET 12 12.293 -1.230 -19.520 651 1HE MET 12 2HE MET 12 12.078 -1.568 -21.548 652 2HE MET 12 1HE MET 12 12.596 -2.880 -22.606 653 3HE MET 12 3HE MET 12 11.250 -3.121 -21.484 654 NH1 ARG 13 NH2 ARG 13 14.499 4.514 -22.002 655 NH2 ARG 13 NH1 ARG 13 16.574 5.307 -22.420 656 H ARG 13 H ARG 13 15.540 1.206 -17.230 657 HA ARG 13 HA ARG 13 18.215 1.483 -18.395 658 1HB ARG 13 2HB ARG 13 16.683 3.422 -16.637 659 2HB ARG 13 1HB ARG 13 18.083 3.795 -17.640 660 1HG ARG 13 2HG ARG 13 15.655 2.563 -18.904 661 2HG ARG 13 1HG ARG 13 15.669 4.292 -18.555 662 1HD ARG 13 2HD ARG 13 17.469 4.701 -20.006 663 2HD ARG 13 1HD ARG 13 17.986 3.014 -19.993 664 HE ARG 13 HE ARG 13 16.156 2.494 -21.513 665 1HH1 ARG 13 1HH2 ARG 13 13.900 3.828 -21.587 666 2HH1 ARG 13 2HH2 ARG 13 14.103 5.279 -22.511 667 1HH2 ARG 13 2HH1 ARG 13 17.566 5.227 -22.325 668 2HH2 ARG 13 1HH1 ARG 13 16.180 6.071 -22.930 669 H PHE 14 H PHE 14 16.825 0.903 -15.228 670 HA PHE 14 HA PHE 14 19.578 1.037 -14.071 671 1HB PHE 14 2HB PHE 14 16.948 1.134 -12.571 672 2HB PHE 14 1HB PHE 14 18.556 1.434 -11.914 673 HD1 PHE 14 HD1 PHE 14 16.293 2.640 -14.659 674 HD2 PHE 14 HD2 PHE 14 19.316 3.630 -11.774 675 HE1 PHE 14 HE1 PHE 14 16.116 5.033 -15.293 676 HE2 PHE 14 HE2 PHE 14 19.140 6.022 -12.406 677 HZ PHE 14 HZ PHE 14 17.538 6.723 -14.166 678 H GLY 15 H GLY 15 16.539 -0.816 -13.962 679 1HA GLY 15 2HA GLY 15 17.234 -3.348 -14.356 680 2HA GLY 15 1HA GLY 15 18.018 -3.110 -12.794 681 H GLN 16 H GLN 16 15.613 -4.773 -13.695 682 HA GLN 16 HA GLN 16 13.343 -3.587 -12.297 683 1HB GLN 16 2HB GLN 16 13.888 -6.312 -13.490 684 2HB GLN 16 1HB GLN 16 12.404 -5.962 -12.600 685 1HG GLN 16 2HG GLN 16 11.765 -4.255 -14.150 686 2HG GLN 16 1HG GLN 16 13.355 -4.263 -14.915 687 1HE2 GLN 16 2HE2 GLN 16 12.647 -7.065 -16.974 688 2HE2 GLN 16 1HE2 GLN 16 13.846 -6.003 -16.412 689 H THR 17 H THR 17 16.107 -5.422 -11.399 690 HA THR 17 HA THR 17 14.987 -6.714 -9.064 691 HB THR 17 HB THR 17 17.889 -5.968 -9.254 692 HG1 THR 17 HG1 THR 17 16.690 -8.081 -10.706 693 1HG2 THR 17 1HG2 THR 17 16.407 -7.568 -7.573 694 2HG2 THR 17 3HG2 THR 17 17.046 -8.733 -8.732 695 3HG2 THR 17 2HG2 THR 17 18.148 -7.702 -7.821 696 H LYS 18 H LYS 18 16.782 -3.679 -9.590 697 HA LYS 18 HA LYS 18 16.666 -2.977 -6.755 698 1HB LYS 18 2HB LYS 18 17.770 -0.949 -7.387 699 2HB LYS 18 1HB LYS 18 18.466 -2.218 -8.394 700 1HG LYS 18 2HG LYS 18 16.256 -1.362 -9.852 701 2HG LYS 18 1HG LYS 18 16.922 0.129 -9.185 702 1HD LYS 18 2HD LYS 18 18.358 -1.939 -10.867 703 2HD LYS 18 1HD LYS 18 18.045 -0.252 -11.274 704 1HE LYS 18 2HE LYS 18 19.372 0.056 -8.922 705 2HE LYS 18 1HE LYS 18 20.135 -1.414 -9.527 706 1HZ LYS 18 1HZ LYS 18 20.293 -0.106 -11.716 707 2HZ LYS 18 3HZ LYS 18 20.053 1.266 -10.749 708 3HZ LYS 18 2HZ LYS 18 21.391 0.258 -10.472 709 H THR 19 H THR 19 14.701 -2.436 -9.600 710 HA THR 19 HA THR 19 13.194 -0.215 -8.508 711 HB THR 19 HB THR 19 12.470 -2.207 -10.680 712 HG1 THR 19 HG1 THR 19 14.348 -0.704 -10.867 713 1HG2 THR 19 2HG2 THR 19 10.490 -1.092 -9.715 714 2HG2 THR 19 1HG2 THR 19 11.251 0.477 -9.970 715 3HG2 THR 19 3HG2 THR 19 10.803 -0.520 -11.353 716 H ALA 20 H ALA 20 12.948 -3.715 -8.342 717 HA ALA 20 HA ALA 20 10.301 -3.612 -7.065 718 1HB ALA 20 2HB ALA 20 11.272 -5.509 -8.579 719 2HB ALA 20 1HB ALA 20 12.092 -6.032 -7.108 720 3HB ALA 20 3HB ALA 20 10.331 -5.959 -7.157 721 H LYS 21 H LYS 21 13.684 -4.087 -6.122 722 HA LYS 21 HA LYS 21 13.070 -4.718 -3.360 723 1HB LYS 21 2HB LYS 21 15.390 -4.630 -4.997 724 2HB LYS 21 1HB LYS 21 15.677 -3.538 -3.642 725 1HG LYS 21 2HG LYS 21 14.515 -6.272 -3.164 726 2HG LYS 21 1HG LYS 21 16.256 -6.065 -3.349 727 1HD LYS 21 2HD LYS 21 15.608 -4.031 -1.604 728 2HD LYS 21 1HD LYS 21 14.516 -5.322 -1.101 729 1HE LYS 21 2HE LYS 21 16.578 -5.589 0.131 730 2HE LYS 21 1HE LYS 21 16.501 -6.879 -1.071 731 1HZ LYS 21 1HZ LYS 21 17.887 -4.309 -1.568 732 2HZ LYS 21 3HZ LYS 21 18.673 -5.659 -0.906 733 3HZ LYS 21 2HZ LYS 21 18.000 -5.749 -2.464 734 H ASP 22 H ASP 22 13.482 -1.778 -5.195 735 HA ASP 22 HA ASP 22 13.736 -0.111 -2.783 736 1HB ASP 22 2HB ASP 22 14.618 0.270 -5.303 737 2HB ASP 22 1HB ASP 22 13.069 1.106 -5.417 738 H LEU 23 H LEU 23 11.268 -1.064 -5.110 739 HA LEU 23 HA LEU 23 9.286 0.790 -3.989 740 1HB LEU 23 2HB LEU 23 9.235 -1.353 -6.109 741 2HB LEU 23 1HB LEU 23 7.735 -0.650 -5.503 742 HG LEU 23 HG LEU 23 9.876 1.275 -6.230 743 1HD1 LEU 23 3HD1 LEU 23 8.966 -0.782 -8.066 744 2HD1 LEU 23 2HD1 LEU 23 8.491 0.820 -8.632 745 3HD1 LEU 23 1HD1 LEU 23 10.190 0.466 -8.311 746 1HD2 LEU 23 2HD2 LEU 23 7.357 1.596 -5.458 747 2HD2 LEU 23 1HD2 LEU 23 8.065 2.667 -6.666 748 3HD2 LEU 23 3HD2 LEU 23 7.028 1.332 -7.170 749 H GLY 24 H GLY 24 10.452 -2.370 -3.304 750 1HA GLY 24 2HA GLY 24 9.868 -3.643 -1.370 751 2HA GLY 24 1HA GLY 24 8.427 -2.644 -1.177 752 H VAL 25 H VAL 25 8.855 -3.719 -4.378 753 HA VAL 25 HA VAL 25 6.672 -5.703 -3.969 754 HB VAL 25 HB VAL 25 7.326 -5.264 -6.749 755 1HG1 VAL 25 2HG1 VAL 25 5.150 -5.971 -5.481 756 2HG1 VAL 25 1HG1 VAL 25 4.880 -4.234 -5.339 757 3HG1 VAL 25 3HG1 VAL 25 5.014 -4.978 -6.932 758 1HG2 VAL 25 3HG2 VAL 25 7.036 -2.826 -4.997 759 2HG2 VAL 25 2HG2 VAL 25 8.164 -3.102 -6.324 760 3HG2 VAL 25 1HG2 VAL 25 6.458 -2.810 -6.664 761 OH TYR 26 OH TYR 26 3.374 -9.097 -2.537 762 H TYR 26 H TYR 26 6.920 -7.442 -5.972 763 HA TYR 26 HA TYR 26 9.548 -8.732 -5.418 764 1HB TYR 26 2HB TYR 26 7.516 -10.274 -6.908 765 2HB TYR 26 1HB TYR 26 8.483 -10.746 -5.513 766 HD1 TYR 26 HD2 TYR 26 7.865 -9.235 -3.310 767 HD2 TYR 26 HD1 TYR 26 5.222 -10.196 -6.556 768 HE1 TYR 26 HE2 TYR 26 5.911 -8.854 -1.830 769 HE2 TYR 26 HE1 TYR 26 3.268 -9.814 -5.079 770 HH TYR 26 HH TYR 26 3.586 -8.371 -1.946 771 H GLN 27 H GLN 27 10.451 -9.999 -7.350 772 HA GLN 27 HA GLN 27 10.771 -8.173 -9.576 773 1HB GLN 27 2HB GLN 27 11.575 -11.092 -9.507 774 2HB GLN 27 1HB GLN 27 12.294 -9.797 -10.466 775 1HG GLN 27 2HG GLN 27 13.443 -8.912 -8.668 776 2HG GLN 27 1HG GLN 27 12.243 -9.461 -7.498 777 1HE2 GLN 27 2HE2 GLN 27 15.504 -11.680 -8.006 778 2HE2 GLN 27 1HE2 GLN 27 15.372 -10.049 -8.460 779 H SER 28 H SER 28 8.609 -10.778 -8.861 780 HA SER 28 HA SER 28 7.900 -11.309 -11.649 781 1HB SER 28 2HB SER 28 7.695 -12.955 -9.685 782 2HB SER 28 1HB SER 28 6.267 -12.039 -9.211 783 HG SER 28 HG SER 28 5.795 -12.386 -11.643 784 H ALA 29 H ALA 29 6.966 -9.051 -9.195 785 HA ALA 29 HA ALA 29 4.391 -8.424 -10.487 786 1HB ALA 29 3HB ALA 29 5.267 -8.173 -7.903 787 2HB ALA 29 2HB ALA 29 5.499 -6.530 -8.503 788 3HB ALA 29 1HB ALA 29 3.903 -7.277 -8.573 789 H ILE 30 H ILE 30 7.680 -7.250 -10.349 790 HA ILE 30 HA ILE 30 7.094 -4.738 -11.710 791 HB ILE 30 HB ILE 30 9.648 -6.236 -11.079 792 1HG1 ILE 30 2HG1 ILE 30 8.347 -5.064 -9.249 793 2HG1 ILE 30 1HG1 ILE 30 9.990 -4.462 -9.476 794 1HG2 ILE 30 1HG2 ILE 30 9.154 -3.825 -12.782 795 2HG2 ILE 30 3HG2 ILE 30 10.599 -3.864 -11.772 796 3HG2 ILE 30 2HG2 ILE 30 10.337 -5.117 -12.986 797 1HD1 ILE 30 1HD1 ILE 30 9.121 -2.616 -10.869 798 2HD1 ILE 30 3HD1 ILE 30 7.479 -3.212 -10.630 799 3HD1 ILE 30 2HD1 ILE 30 8.400 -2.591 -9.260 800 H ASN 31 H ASN 31 7.999 -8.005 -12.608 801 HA ASN 31 HA ASN 31 8.651 -7.333 -15.366 802 1HB ASN 31 2HB ASN 31 9.541 -9.360 -14.194 803 2HB ASN 31 1HB ASN 31 7.907 -10.026 -14.184 804 1HD2 ASN 31 2HD2 ASN 31 9.652 -9.532 -17.885 805 2HD2 ASN 31 1HD2 ASN 31 9.925 -8.363 -16.684 806 H LYS 32 H LYS 32 5.807 -8.721 -13.696 807 HA LYS 32 HA LYS 32 4.266 -8.973 -16.127 808 1HB LYS 32 2HB LYS 32 2.414 -9.506 -14.718 809 2HB LYS 32 1HB LYS 32 3.834 -10.186 -13.923 810 1HG LYS 32 2HG LYS 32 3.950 -8.348 -12.383 811 2HG LYS 32 1HG LYS 32 2.725 -7.448 -13.277 812 1HD LYS 32 2HD LYS 32 2.117 -10.169 -12.128 813 2HD LYS 32 1HD LYS 32 1.966 -8.711 -11.145 814 1HE LYS 32 2HE LYS 32 0.718 -8.614 -13.841 815 2HE LYS 32 1HE LYS 32 -0.060 -9.664 -12.658 816 1HZ LYS 32 1HZ LYS 32 0.266 -7.586 -11.134 817 2HZ LYS 32 3HZ LYS 32 0.301 -6.755 -12.611 818 3HZ LYS 32 2HZ LYS 32 -1.059 -7.683 -12.193 819 H ALA 33 H ALA 33 4.813 -6.393 -13.814 820 HA ALA 33 HA ALA 33 2.613 -4.726 -14.641 821 1HB ALA 33 2HB ALA 33 5.195 -4.260 -13.173 822 2HB ALA 33 1HB ALA 33 4.239 -2.880 -13.713 823 3HB ALA 33 3HB ALA 33 3.540 -4.055 -12.599 824 H ILE 34 H ILE 34 5.994 -5.009 -15.662 825 HA ILE 34 HA ILE 34 5.771 -2.860 -17.620 826 HB ILE 34 HB ILE 34 7.840 -5.013 -17.117 827 1HG1 ILE 34 2HG1 ILE 34 8.453 -2.111 -17.011 828 2HG1 ILE 34 1HG1 ILE 34 7.354 -2.704 -15.765 829 1HG2 ILE 34 3HG2 ILE 34 7.387 -3.382 -19.489 830 2HG2 ILE 34 2HG2 ILE 34 8.960 -3.050 -18.765 831 3HG2 ILE 34 1HG2 ILE 34 8.538 -4.694 -19.240 832 1HD1 ILE 34 2HD1 ILE 34 9.115 -4.630 -15.507 833 2HD1 ILE 34 1HD1 ILE 34 10.204 -3.492 -16.299 834 3HD1 ILE 34 3HD1 ILE 34 9.438 -3.061 -14.769 835 H HIS 35 H HIS 35 5.102 -6.260 -17.532 836 HA HIS 35 HA HIS 35 5.206 -6.696 -20.401 837 1HB HIS 35 2HB HIS 35 4.091 -8.215 -18.048 838 2HB HIS 35 1HB HIS 35 3.728 -8.729 -19.696 839 HD1 HIS 35 HD1 HIS 35 5.235 -10.876 -18.812 840 HD2 HIS 35 HD2 HIS 35 7.267 -7.317 -19.576 841 HE1 HIS 35 HE1 HIS 35 7.679 -11.487 -19.061 842 H ALA 36 H ALA 36 2.875 -5.404 -18.166 843 HA ALA 36 HA ALA 36 0.626 -5.711 -20.039 844 1HB ALA 36 1HB ALA 36 0.858 -5.339 -17.272 845 2HB ALA 36 3HB ALA 36 0.193 -3.820 -17.872 846 3HB ALA 36 2HB ALA 36 -0.638 -5.340 -18.207 847 H GLY 37 H GLY 37 3.173 -3.496 -19.506 848 1HA GLY 37 2HA GLY 37 3.596 -1.342 -20.345 849 2HA GLY 37 1HA GLY 37 2.601 -1.855 -21.707 850 NH1 ARG 38 NH1 ARG 38 -4.267 -4.169 -15.580 851 NH2 ARG 38 NH2 ARG 38 -2.306 -4.650 -14.562 852 H ARG 38 H ARG 38 1.219 -1.791 -18.513 853 HA ARG 38 HA ARG 38 -0.925 -0.068 -19.311 854 1HB ARG 38 2HB ARG 38 -0.197 -1.593 -17.001 855 2HB ARG 38 1HB ARG 38 -0.604 0.041 -16.476 856 1HG ARG 38 2HG ARG 38 -2.787 -0.406 -16.755 857 2HG ARG 38 1HG ARG 38 -2.502 -0.742 -18.464 858 1HD ARG 38 2HD ARG 38 -3.393 -2.768 -17.667 859 2HD ARG 38 1HD ARG 38 -1.653 -3.057 -17.635 860 HE ARG 38 HE ARG 38 -2.193 -2.061 -15.111 861 1HH1 ARG 38 2HH1 ARG 38 -4.826 -3.556 -16.141 862 2HH1 ARG 38 1HH1 ARG 38 -4.654 -5.026 -15.239 863 1HH2 ARG 38 1HH2 ARG 38 -1.361 -4.405 -14.343 864 2HH2 ARG 38 2HH2 ARG 38 -2.693 -5.505 -14.219 865 H LYS 39 H LYS 39 -1.158 1.782 -17.213 866 HA LYS 39 HA LYS 39 0.977 3.720 -17.976 867 1HB LYS 39 2HB LYS 39 -1.820 4.082 -16.874 868 2HB LYS 39 1HB LYS 39 -0.660 5.406 -16.989 869 1HG LYS 39 2HG LYS 39 -1.589 3.689 -19.311 870 2HG LYS 39 1HG LYS 39 -2.137 5.331 -18.975 871 1HD LYS 39 2HD LYS 39 -0.399 6.071 -20.203 872 2HD LYS 39 1HD LYS 39 0.663 5.483 -18.923 873 1HE LYS 39 2HE LYS 39 1.203 3.554 -20.066 874 2HE LYS 39 1HE LYS 39 -0.347 3.490 -20.903 875 1HZ LYS 39 1HZ LYS 39 1.839 5.424 -21.457 876 2HZ LYS 39 3HZ LYS 39 1.454 4.072 -22.406 877 3HZ LYS 39 2HZ LYS 39 0.346 5.353 -22.267 878 H ILE 40 H ILE 40 2.362 2.497 -16.442 879 HA ILE 40 HA ILE 40 1.833 3.288 -13.610 880 HB ILE 40 HB ILE 40 3.836 1.235 -14.595 881 1HG1 ILE 40 2HG1 ILE 40 1.043 0.763 -13.504 882 2HG1 ILE 40 1HG1 ILE 40 1.477 0.636 -15.208 883 1HG2 ILE 40 2HG2 ILE 40 3.834 2.439 -12.226 884 2HG2 ILE 40 1HG2 ILE 40 2.556 1.273 -11.887 885 3HG2 ILE 40 3HG2 ILE 40 4.159 0.711 -12.359 886 1HD1 ILE 40 1HD1 ILE 40 3.061 -0.902 -13.175 887 2HD1 ILE 40 3HD1 ILE 40 1.491 -1.518 -13.691 888 3HD1 ILE 40 2HD1 ILE 40 2.774 -1.272 -14.876 889 H PHE 41 H PHE 41 2.710 5.310 -13.499 890 HA PHE 41 HA PHE 41 5.303 5.873 -14.771 891 1HB PHE 41 2HB PHE 41 3.693 7.697 -12.975 892 2HB PHE 41 1HB PHE 41 4.869 8.149 -14.214 893 HD1 PHE 41 HD1 PHE 41 1.463 6.802 -13.624 894 HD2 PHE 41 HD2 PHE 41 4.301 8.113 -16.572 895 HE1 PHE 41 HE1 PHE 41 -0.327 6.832 -15.339 896 HE2 PHE 41 HE2 PHE 41 2.511 8.145 -18.283 897 HZ PHE 41 HZ PHE 41 0.197 7.503 -17.668 898 H LEU 42 H LEU 42 7.028 6.941 -13.404 899 HA LEU 42 HA LEU 42 7.082 5.743 -10.663 900 1HB LEU 42 2HB LEU 42 8.718 5.092 -12.890 901 2HB LEU 42 1HB LEU 42 9.730 5.986 -11.756 902 HG LEU 42 HG LEU 42 9.059 4.460 -9.943 903 1HD1 LEU 42 2HD1 LEU 42 7.505 3.055 -12.138 904 2HD1 LEU 42 1HD1 LEU 42 7.735 2.437 -10.503 905 3HD1 LEU 42 3HD1 LEU 42 6.803 3.911 -10.765 906 1HD2 LEU 42 3HD2 LEU 42 10.145 3.273 -12.499 907 2HD2 LEU 42 2HD2 LEU 42 11.033 3.758 -11.055 908 3HD2 LEU 42 1HD2 LEU 42 10.020 2.314 -11.023 909 H THR 43 H THR 43 7.612 7.164 -9.078 910 HA THR 43 HA THR 43 8.845 9.768 -9.893 911 HB THR 43 HB THR 43 6.770 9.173 -7.767 912 HG1 THR 43 HG1 THR 43 6.716 11.008 -9.916 913 1HG2 THR 43 1HG2 THR 43 8.822 11.051 -7.599 914 2HG2 THR 43 3HG2 THR 43 7.444 11.975 -8.196 915 3HG2 THR 43 2HG2 THR 43 7.314 11.076 -6.685 916 H ILE 44 H ILE 44 10.882 9.927 -9.060 917 HA ILE 44 HA ILE 44 11.593 8.225 -6.737 918 HB ILE 44 HB ILE 44 13.668 9.955 -7.952 919 1HG1 ILE 44 2HG1 ILE 44 12.322 7.710 -9.496 920 2HG1 ILE 44 1HG1 ILE 44 12.407 9.406 -9.974 921 1HG2 ILE 44 3HG2 ILE 44 13.549 7.706 -6.337 922 2HG2 ILE 44 2HG2 ILE 44 14.000 7.043 -7.908 923 3HG2 ILE 44 1HG2 ILE 44 14.992 8.297 -7.163 924 1HD1 ILE 44 3HD1 ILE 44 14.955 7.926 -9.424 925 2HD1 ILE 44 2HD1 ILE 44 14.130 7.670 -10.960 926 3HD1 ILE 44 1HD1 ILE 44 14.666 9.287 -10.506 927 H ASN 45 H ASN 45 10.899 9.262 -4.885 928 HA ASN 45 HA ASN 45 10.756 12.025 -4.414 929 1HB ASN 45 2HB ASN 45 11.150 9.656 -2.609 930 2HB ASN 45 1HB ASN 45 11.230 11.288 -1.944 931 1HD2 ASN 45 2HD2 ASN 45 7.636 9.773 -3.155 932 2HD2 ASN 45 1HD2 ASN 45 9.073 8.928 -3.472 933 H ALA 46 H ALA 46 12.206 13.551 -3.717 934 HA ALA 46 HA ALA 46 14.829 13.623 -4.517 935 1HB ALA 46 1HB ALA 46 13.379 15.438 -3.336 936 2HB ALA 46 3HB ALA 46 14.121 14.830 -1.855 937 3HB ALA 46 2HB ALA 46 15.131 15.494 -3.139 938 H ASP 47 H ASP 47 13.622 11.861 -1.752 939 HA ASP 47 HA ASP 47 16.307 11.484 -0.620 940 1HB ASP 47 2HB ASP 47 13.640 10.212 0.076 941 2HB ASP 47 1HB ASP 47 15.134 9.997 0.991 942 H GLY 48 H GLY 48 15.919 10.602 -3.372 943 1HA GLY 48 2HA GLY 48 16.305 8.722 -4.725 944 2HA GLY 48 1HA GLY 48 17.244 8.125 -3.353 945 H SER 49 H SER 49 13.900 8.864 -2.862 946 HA SER 49 HA SER 49 13.379 5.993 -2.345 947 1HB SER 49 2HB SER 49 12.283 7.004 -0.633 948 2HB SER 49 1HB SER 49 12.255 8.560 -1.457 949 HG SER 49 HG SER 49 10.196 8.045 -1.600 950 H VAL 50 H VAL 50 11.549 4.909 -3.322 951 HA VAL 50 HA VAL 50 11.005 5.949 -6.054 952 HB VAL 50 HB VAL 50 10.148 3.235 -5.077 953 1HG1 VAL 50 2HG1 VAL 50 11.079 4.365 -7.736 954 2HG1 VAL 50 1HG1 VAL 50 10.600 2.689 -7.465 955 3HG1 VAL 50 3HG1 VAL 50 9.415 3.984 -7.293 956 1HG2 VAL 50 1HG2 VAL 50 12.869 4.245 -5.196 957 2HG2 VAL 50 3HG2 VAL 50 12.293 2.665 -4.660 958 3HG2 VAL 50 2HG2 VAL 50 12.632 2.948 -6.368 959 OH TYR 51 OH TYR 51 1.506 8.909 -3.814 960 H TYR 51 H TYR 51 8.869 6.168 -6.814 961 HA TYR 51 HA TYR 51 6.627 5.722 -4.949 962 1HB TYR 51 2HB TYR 51 7.545 8.015 -4.429 963 2HB TYR 51 1HB TYR 51 7.183 8.478 -6.091 964 HD1 TYR 51 HD2 TYR 51 5.659 7.259 -2.920 965 HD2 TYR 51 HD1 TYR 51 4.973 9.033 -6.771 966 HE1 TYR 51 HE2 TYR 51 3.309 7.730 -2.283 967 HE2 TYR 51 HE1 TYR 51 2.623 9.504 -6.135 968 HH TYR 51 HH TYR 51 1.482 9.074 -2.868 969 H ALA 52 H ALA 52 6.250 4.186 -6.761 970 HA ALA 52 HA ALA 52 5.696 5.262 -9.413 971 1HB ALA 52 1HB ALA 52 6.523 2.950 -9.080 972 2HB ALA 52 3HB ALA 52 5.036 2.551 -8.222 973 3HB ALA 52 2HB ALA 52 4.982 2.966 -9.935 974 H GLU 53 H GLU 53 3.663 5.608 -10.337 975 HA GLU 53 HA GLU 53 1.310 5.350 -8.513 976 1HB GLU 53 2HB GLU 53 2.410 7.742 -9.845 977 2HB GLU 53 1HB GLU 53 0.676 7.513 -10.073 978 1HG GLU 53 2HG GLU 53 0.912 6.956 -7.415 979 2HG GLU 53 1HG GLU 53 2.183 8.163 -7.612 980 H GLU 54 H GLU 54 -0.729 5.161 -9.664 981 HA GLU 54 HA GLU 54 -0.367 4.021 -12.404 982 1HB GLU 54 2HB GLU 54 -1.159 2.475 -10.523 983 2HB GLU 54 1HB GLU 54 -2.646 3.423 -10.503 984 1HG GLU 54 2HG GLU 54 -3.423 2.249 -12.253 985 2HG GLU 54 1HG GLU 54 -2.049 2.781 -13.221 986 H VAL 55 H VAL 55 -1.467 5.053 -14.029 987 HA VAL 55 HA VAL 55 -3.860 6.644 -13.367 988 HB VAL 55 HB VAL 55 -2.076 8.243 -15.033 989 1HG1 VAL 55 3HG1 VAL 55 -3.803 8.533 -12.604 990 2HG1 VAL 55 2HG1 VAL 55 -2.630 9.802 -12.959 991 3HG1 VAL 55 1HG1 VAL 55 -3.877 9.398 -14.139 992 1HG2 VAL 55 1HG2 VAL 55 -0.420 7.039 -13.481 993 2HG2 VAL 55 3HG2 VAL 55 -0.396 8.803 -13.425 994 3HG2 VAL 55 2HG2 VAL 55 -1.208 7.891 -12.153 995 H LYS 56 H LYS 56 -5.183 5.620 -14.802 996 HA LYS 56 HA LYS 56 -4.509 5.880 -17.671 997 1HB LYS 56 2HB LYS 56 -3.715 3.677 -17.337 998 2HB LYS 56 1HB LYS 56 -5.027 3.280 -16.231 999 1HG LYS 56 2HG LYS 56 -6.289 2.538 -17.946 1000 2HG LYS 56 1HG LYS 56 -6.135 4.091 -18.768 1001 1HD LYS 56 2HD LYS 56 -5.069 2.786 -20.328 1002 2HD LYS 56 1HD LYS 56 -3.688 3.112 -19.283 1003 1HE LYS 56 2HE LYS 56 -3.508 0.935 -18.743 1004 2HE LYS 56 1HE LYS 56 -5.205 0.867 -18.269 1005 1HZ LYS 56 1HZ LYS 56 -4.275 0.750 -21.083 1006 2HZ LYS 56 3HZ LYS 56 -4.599 -0.624 -20.143 1007 3HZ LYS 56 2HZ LYS 56 -5.848 0.469 -20.505 1008 HA PRO 57 HA PRO 57 -8.807 7.007 -17.437 1009 1HB PRO 57 2HB PRO 57 -9.073 7.628 -20.102 1010 2HB PRO 57 1HB PRO 57 -8.310 8.701 -18.915 1011 1HG PRO 57 2HG PRO 57 -7.030 7.021 -21.024 1012 2HG PRO 57 1HG PRO 57 -6.456 8.525 -20.284 1013 1HD PRO 57 2HD PRO 57 -5.548 5.926 -19.651 1014 2HD PRO 57 1HD PRO 57 -5.256 7.393 -18.692 1015 H PHE 58 H PHE 58 -10.810 6.471 -18.972 1016 HA PHE 58 HA PHE 58 -10.578 3.661 -19.952 1017 1HB PHE 58 2HB PHE 58 -11.778 4.297 -17.576 1018 2HB PHE 58 1HB PHE 58 -13.144 4.408 -18.685 1019 HD1 PHE 58 HD2 PHE 58 -10.241 2.175 -17.877 1020 HD2 PHE 58 HD1 PHE 58 -14.294 2.462 -19.274 1021 HE1 PHE 58 HE2 PHE 58 -10.393 -0.297 -17.938 1022 HE2 PHE 58 HE1 PHE 58 -14.446 -0.014 -19.334 1023 HZ PHE 58 HZ PHE 58 -12.496 -1.393 -18.666 1024 HA PRO 59 HA PRO 59 -11.761 2.274 -20.838 1025 1HB PRO 59 2HB PRO 59 -11.842 1.317 -23.409 1026 2HB PRO 59 1HB PRO 59 -13.274 1.449 -22.374 1027 1HG PRO 59 2HG PRO 59 -12.477 3.140 -24.691 1028 2HG PRO 59 1HG PRO 59 -14.090 2.837 -24.027 1029 1HD PRO 59 2HD PRO 59 -12.516 5.165 -23.611 1030 2HD PRO 59 1HD PRO 59 -14.001 4.728 -22.738 1031 H SER 60 H SER 60 -10.150 0.826 -22.594 1032 HA SER 60 HA SER 60 -7.621 2.307 -22.406 1033 1HB SER 60 2HB SER 60 -7.983 -0.412 -23.664 1034 2HB SER 60 1HB SER 60 -6.558 0.242 -22.862 1035 HG SER 60 HG SER 60 -8.770 -0.994 -21.821 1036 H ASN 61 H ASN 61 -9.966 1.467 -24.836 1037 HA ASN 61 HA ASN 61 -8.120 2.416 -26.980 1038 1HB ASN 61 2HB ASN 61 -10.843 1.253 -27.502 1039 2HB ASN 61 1HB ASN 61 -9.403 1.208 -28.519 1040 1HD2 ASN 61 2HD2 ASN 61 -10.013 -1.717 -25.772 1041 2HD2 ASN 61 1HD2 ASN 61 -11.116 -0.441 -25.959 1042 H LYS 62 H LYS 62 -8.291 4.650 -26.888 1043 HA LYS 62 HA LYS 62 -11.052 5.794 -26.921 1044 1HB LYS 62 2HB LYS 62 -8.421 7.146 -26.251 1045 2HB LYS 62 1HB LYS 62 -10.021 7.878 -26.142 1046 1HG LYS 62 2HG LYS 62 -10.666 6.086 -24.506 1047 2HG LYS 62 1HG LYS 62 -8.993 5.526 -24.530 1048 1HD LYS 62 2HD LYS 62 -8.732 6.987 -22.800 1049 2HD LYS 62 1HD LYS 62 -8.632 8.193 -24.084 1050 1HE LYS 62 2HE LYS 62 -11.348 7.413 -23.111 1051 2HE LYS 62 1HE LYS 62 -10.369 8.456 -22.079 1052 1HZ LYS 62 2HZ LYS 62 -10.029 9.892 -24.065 1053 2HZ LYS 62 1HZ LYS 62 -11.184 8.955 -24.887 1054 3HZ LYS 62 3HZ LYS 62 -11.634 9.838 -23.510 1055 H LYS 63 H LYS 63 -11.724 6.455 -28.885 1056 HA LYS 63 HA LYS 63 -9.720 7.643 -30.747 1057 1HB LYS 63 2HB LYS 63 -11.354 6.501 -32.537 1058 2HB LYS 63 1HB LYS 63 -9.962 5.643 -31.877 1059 1HG LYS 63 2HG LYS 63 -11.324 4.485 -30.278 1060 2HG LYS 63 1HG LYS 63 -12.717 5.509 -30.630 1061 1HD LYS 63 2HD LYS 63 -13.282 4.311 -32.472 1062 2HD LYS 63 1HD LYS 63 -11.605 4.149 -32.993 1063 1HE LYS 63 2HE LYS 63 -11.911 1.964 -32.399 1064 2HE LYS 63 1HE LYS 63 -11.572 2.577 -30.780 1065 1HZ LYS 63 1HZ LYS 63 -14.194 3.088 -31.036 1066 2HZ LYS 63 3HZ LYS 63 -14.058 1.647 -31.919 1067 3HZ LYS 63 2HZ LYS 63 -13.556 1.698 -30.297 1068 H THR 64 H THR 64 -10.774 9.070 -32.380 1069 HA THR 64 HA THR 64 -13.326 10.198 -31.301 1070 HB THR 64 HB THR 64 -12.423 12.294 -32.624 1071 HG1 THR 64 HG1 THR 64 -9.966 12.017 -32.065 1072 1HG2 THR 64 1HG2 THR 64 -12.097 11.295 -29.921 1073 2HG2 THR 64 3HG2 THR 64 -10.762 12.360 -30.363 1074 3HG2 THR 64 2HG2 THR 64 -12.424 12.940 -30.467 1075 H THR 65 H THR 65 -14.346 8.533 -32.749 1076 HA THR 65 HA THR 65 -14.723 9.699 -35.457 1077 HB THR 65 HB THR 65 -14.330 6.726 -35.031 1078 HG1 THR 65 HG1 THR 65 -12.342 7.500 -36.364 1079 1HG2 THR 65 1HG2 THR 65 -14.539 8.526 -37.454 1080 2HG2 THR 65 3HG2 THR 65 -13.994 6.851 -37.537 1081 3HG2 THR 65 2HG2 THR 65 -15.631 7.220 -36.991 1082 H ALA 66 HN ALA 66 -16.418 9.846 -33.170 1083 HA ALA 66 HA ALA 66 -18.870 8.812 -34.315 1084 1HB ALA 66 1HB ALA 66 -17.738 7.499 -31.833 1085 2HB ALA 66 3HB ALA 66 -19.441 7.401 -32.282 1086 3HB ALA 66 2HB ALA 66 -18.209 6.718 -33.342 Start of MODEL 13 Raw file had 1086 H/Q atoms Start of MODEL 13 1 1H MET 1 1H MET 1 -21.580 18.308 -10.588 2 2H MET 1 3H MET 1 -21.669 19.958 -10.205 3 3H MET 1 2H MET 1 -22.694 19.306 -11.393 4 HA MET 1 HA MET 1 -21.198 19.590 -12.986 5 1HB MET 1 2HB MET 1 -20.817 21.595 -11.345 6 2HB MET 1 1HB MET 1 -19.293 20.783 -10.983 7 1HG MET 1 2HG MET 1 -18.416 21.210 -13.055 8 2HG MET 1 1HG MET 1 -19.977 21.065 -13.861 9 1HE MET 1 2HE MET 1 -17.309 22.931 -12.501 10 2HE MET 1 1HE MET 1 -17.725 24.642 -12.494 11 3HE MET 1 3HE MET 1 -18.179 23.612 -11.130 12 H GLU 2 H GLU 2 -19.232 18.779 -10.094 13 HA GLU 2 HA GLU 2 -17.597 16.987 -11.815 14 1HB GLU 2 2HB GLU 2 -17.205 18.299 -9.145 15 2HB GLU 2 1HB GLU 2 -16.303 16.826 -9.512 16 1HG GLU 2 2HG GLU 2 -15.545 17.914 -11.653 17 2HG GLU 2 1HG GLU 2 -16.300 19.409 -11.098 18 H GLN 3 H GLN 3 -19.225 15.312 -11.995 19 HA GLN 3 HA GLN 3 -20.136 14.004 -9.518 20 1HB GLN 3 2HB GLN 3 -20.537 12.915 -12.297 21 2HB GLN 3 1HB GLN 3 -21.576 12.741 -10.883 22 1HG GLN 3 2HG GLN 3 -21.566 15.442 -11.132 23 2HG GLN 3 1HG GLN 3 -21.383 14.975 -12.824 24 1HE2 GLN 3 2HE2 GLN 3 -24.920 14.689 -12.849 25 2HE2 GLN 3 1HE2 GLN 3 -23.579 15.570 -13.403 26 NH1 ARG 4 NH2 ARG 4 -12.617 14.448 -11.774 27 NH2 ARG 4 NH1 ARG 4 -14.359 15.199 -13.002 28 H ARG 4 H ARG 4 -18.407 12.959 -8.549 29 HA ARG 4 HA ARG 4 -16.832 11.086 -10.267 30 1HB ARG 4 2HB ARG 4 -16.022 11.914 -7.487 31 2HB ARG 4 1HB ARG 4 -15.005 11.367 -8.821 32 1HG ARG 4 2HG ARG 4 -16.523 13.992 -8.758 33 2HG ARG 4 1HG ARG 4 -14.796 13.815 -8.446 34 1HD ARG 4 2HD ARG 4 -14.751 12.620 -10.770 35 2HD ARG 4 1HD ARG 4 -16.295 13.435 -11.028 36 HE ARG 4 HE ARG 4 -14.743 15.513 -10.229 37 1HH1 ARG 4 1HH2 ARG 4 -12.244 14.135 -10.901 38 2HH1 ARG 4 2HH2 ARG 4 -12.028 14.498 -12.580 39 1HH2 ARG 4 2HH1 ARG 4 -15.322 15.464 -13.069 40 2HH2 ARG 4 1HH1 ARG 4 -13.770 15.247 -13.809 41 H ILE 5 H ILE 5 -17.739 9.086 -10.122 42 HA ILE 5 HA ILE 5 -18.277 8.012 -7.399 43 HB ILE 5 HB ILE 5 -20.133 7.721 -9.775 44 1HG1 ILE 5 2HG1 ILE 5 -21.524 8.816 -7.635 45 2HG1 ILE 5 1HG1 ILE 5 -19.966 9.639 -7.570 46 1HG2 ILE 5 3HG2 ILE 5 -20.181 6.611 -6.959 47 2HG2 ILE 5 2HG2 ILE 5 -21.603 6.645 -8.003 48 3HG2 ILE 5 1HG2 ILE 5 -20.186 5.704 -8.472 49 1HD1 ILE 5 2HD1 ILE 5 -20.298 9.911 -10.155 50 2HD1 ILE 5 1HD1 ILE 5 -21.997 9.611 -9.787 51 3HD1 ILE 5 3HD1 ILE 5 -21.167 10.988 -9.061 52 H THR 6 H THR 6 -17.818 5.792 -7.212 53 HA THR 6 HA THR 6 -15.968 4.716 -9.151 54 HB THR 6 HB THR 6 -17.284 2.939 -7.145 55 HG1 THR 6 HG1 THR 6 -15.523 4.087 -5.755 56 1HG2 THR 6 3HG2 THR 6 -14.804 3.131 -8.639 57 2HG2 THR 6 2HG2 THR 6 -14.489 2.961 -6.911 58 3HG2 THR 6 1HG2 THR 6 -15.467 1.758 -7.752 59 H LEU 7 H LEU 7 -16.264 2.758 -10.398 60 HA LEU 7 HA LEU 7 -18.638 2.659 -11.937 61 1HB LEU 7 2HB LEU 7 -16.690 1.692 -12.891 62 2HB LEU 7 1HB LEU 7 -16.403 0.679 -11.480 63 HG LEU 7 HG LEU 7 -18.572 -0.515 -12.009 64 1HD1 LEU 7 3HD1 LEU 7 -19.312 1.484 -13.499 65 2HD1 LEU 7 2HD1 LEU 7 -18.318 0.727 -14.744 66 3HD1 LEU 7 1HD1 LEU 7 -19.685 -0.149 -14.054 67 1HD2 LEU 7 1HD2 LEU 7 -16.242 -0.515 -13.935 68 2HD2 LEU 7 3HD2 LEU 7 -16.568 -1.641 -12.619 69 3HD2 LEU 7 2HD2 LEU 7 -17.563 -1.675 -14.073 70 H LYS 8 H LYS 8 -17.951 1.326 -8.819 71 HA LYS 8 HA LYS 8 -20.018 -0.733 -8.961 72 1HB LYS 8 2HB LYS 8 -19.419 -1.269 -6.740 73 2HB LYS 8 1HB LYS 8 -17.906 -0.731 -7.468 74 1HG LYS 8 2HG LYS 8 -18.441 1.591 -6.568 75 2HG LYS 8 1HG LYS 8 -19.734 0.837 -5.636 76 1HD LYS 8 2HD LYS 8 -18.269 -0.310 -4.262 77 2HD LYS 8 1HD LYS 8 -17.002 -0.372 -5.489 78 1HE LYS 8 2HE LYS 8 -16.968 2.236 -5.193 79 2HE LYS 8 1HE LYS 8 -17.744 1.884 -3.649 80 1HZ LYS 8 2HZ LYS 8 -15.300 0.459 -4.488 81 2HZ LYS 8 1HZ LYS 8 -15.209 1.974 -3.726 82 3HZ LYS 8 3HZ LYS 8 -15.928 0.664 -2.922 83 H ASP 9 H ASP 9 -19.721 2.511 -7.559 84 HA ASP 9 HA ASP 9 -22.413 2.459 -6.442 85 1HB ASP 9 2HB ASP 9 -20.174 4.393 -6.622 86 2HB ASP 9 1HB ASP 9 -21.786 5.109 -6.578 87 OH TYR 10 OH TYR 10 -24.117 5.850 -16.608 88 H TYR 10 H TYR 10 -21.008 3.170 -9.518 89 HA TYR 10 HA TYR 10 -23.326 4.727 -10.455 90 1HB TYR 10 2HB TYR 10 -21.108 5.323 -11.294 91 2HB TYR 10 1HB TYR 10 -20.865 3.681 -11.884 92 HD1 TYR 10 HD1 TYR 10 -22.663 2.780 -13.568 93 HD2 TYR 10 HD2 TYR 10 -22.023 6.941 -12.710 94 HE1 TYR 10 HE1 TYR 10 -23.757 3.392 -15.711 95 HE2 TYR 10 HE2 TYR 10 -23.118 7.550 -14.851 96 HH TYR 10 HH TYR 10 -24.353 6.780 -16.566 97 H ALA 11 H ALA 11 -21.998 1.471 -10.759 98 HA ALA 11 HA ALA 11 -24.077 0.675 -12.683 99 1HB ALA 11 2HB ALA 11 -21.538 -0.253 -12.137 100 2HB ALA 11 1HB ALA 11 -22.556 -1.462 -11.355 101 3HB ALA 11 3HB ALA 11 -22.751 -1.123 -13.074 102 H MET 12 H MET 12 -23.623 0.725 -9.245 103 HA MET 12 HA MET 12 -25.717 -1.305 -8.784 104 1HB MET 12 2HB MET 12 -24.135 0.414 -6.850 105 2HB MET 12 1HB MET 12 -25.274 -0.847 -6.379 106 1HG MET 12 2HG MET 12 -23.116 -1.567 -8.317 107 2HG MET 12 1HG MET 12 -22.671 -1.364 -6.623 108 1HE MET 12 1HE MET 12 -22.281 -3.089 -5.450 109 2HE MET 12 3HE MET 12 -23.811 -2.967 -4.571 110 3HE MET 12 2HE MET 12 -23.245 -4.532 -5.148 111 NH1 ARG 13 NH1 ARG 13 -27.373 2.481 -3.010 112 NH2 ARG 13 NH2 ARG 13 -28.237 4.397 -2.179 113 H ARG 13 H ARG 13 -25.249 2.191 -8.424 114 HA ARG 13 HA ARG 13 -27.974 2.553 -7.394 115 1HB ARG 13 2HB ARG 13 -25.810 4.510 -8.211 116 2HB ARG 13 1HB ARG 13 -27.386 5.002 -7.593 117 1HG ARG 13 2HG ARG 13 -26.161 2.960 -5.913 118 2HG ARG 13 1HG ARG 13 -25.140 4.392 -6.054 119 1HD ARG 13 2HD ARG 13 -26.993 5.826 -5.365 120 2HD ARG 13 1HD ARG 13 -28.082 4.440 -5.321 121 HE ARG 13 HE ARG 13 -25.779 4.808 -3.448 122 1HH1 ARG 13 2HH1 ARG 13 -26.743 2.013 -3.629 123 2HH1 ARG 13 1HH1 ARG 13 -27.968 1.951 -2.405 124 1HH2 ARG 13 1HH2 ARG 13 -28.269 5.396 -2.161 125 2HH2 ARG 13 2HH2 ARG 13 -28.832 3.866 -1.575 126 H PHE 14 H PHE 14 -26.307 2.780 -10.476 127 HA PHE 14 HA PHE 14 -28.810 3.827 -11.716 128 1HB PHE 14 2HB PHE 14 -26.088 3.577 -13.016 129 2HB PHE 14 1HB PHE 14 -27.465 4.526 -13.576 130 HD1 PHE 14 HD1 PHE 14 -28.220 5.410 -10.651 131 HD2 PHE 14 HD2 PHE 14 -24.601 5.529 -12.956 132 HE1 PHE 14 HE1 PHE 14 -27.433 7.345 -9.314 133 HE2 PHE 14 HE2 PHE 14 -23.812 7.465 -11.621 134 HZ PHE 14 HZ PHE 14 -25.228 8.373 -9.799 135 H GLY 15 H GLY 15 -26.483 1.169 -11.829 136 1HA GLY 15 2HA GLY 15 -27.685 -1.049 -12.307 137 2HA GLY 15 1HA GLY 15 -28.305 -0.232 -13.743 138 H GLN 16 H GLN 16 -26.442 -2.611 -13.377 139 HA GLN 16 HA GLN 16 -23.884 -1.672 -14.459 140 1HB GLN 16 2HB GLN 16 -24.864 -4.532 -14.399 141 2HB GLN 16 1HB GLN 16 -23.199 -3.950 -14.371 142 1HG GLN 16 2HG GLN 16 -23.380 -3.185 -12.141 143 2HG GLN 16 1HG GLN 16 -25.144 -3.234 -12.177 144 1HE2 GLN 16 2HE2 GLN 16 -23.613 -7.015 -12.333 145 2HE2 GLN 16 1HE2 GLN 16 -23.229 -5.879 -13.536 146 H THR 17 H THR 17 -26.955 -2.482 -15.728 147 HA THR 17 HA THR 17 -26.031 -3.451 -18.315 148 HB THR 17 HB THR 17 -28.742 -2.256 -17.702 149 HG1 THR 17 HG1 THR 17 -29.136 -3.917 -16.503 150 1HG2 THR 17 3HG2 THR 17 -27.712 -4.312 -19.672 151 2HG2 THR 17 2HG2 THR 17 -29.424 -3.980 -19.405 152 3HG2 THR 17 1HG2 THR 17 -28.370 -2.718 -20.044 153 H LYS 18 H LYS 18 -27.359 -0.346 -17.129 154 HA LYS 18 HA LYS 18 -26.956 0.943 -19.708 155 1HB LYS 18 2HB LYS 18 -27.777 2.918 -18.669 156 2HB LYS 18 1HB LYS 18 -28.668 1.599 -17.910 157 1HG LYS 18 2HG LYS 18 -26.395 1.807 -16.337 158 2HG LYS 18 1HG LYS 18 -26.772 3.486 -16.723 159 1HD LYS 18 2HD LYS 18 -28.639 1.446 -15.484 160 2HD LYS 18 1HD LYS 18 -27.976 2.883 -14.709 161 1HE LYS 18 2HE LYS 18 -29.578 3.162 -17.237 162 2HE LYS 18 1HE LYS 18 -30.404 2.971 -15.692 163 1HZ LYS 18 3HZ LYS 18 -28.793 4.824 -14.942 164 2HZ LYS 18 2HZ LYS 18 -28.649 5.149 -16.604 165 3HZ LYS 18 1HZ LYS 18 -30.167 5.237 -15.846 166 H THR 19 H THR 19 -25.057 0.500 -16.797 167 HA THR 19 HA THR 19 -23.148 2.604 -17.324 168 HB THR 19 HB THR 19 -22.615 0.025 -15.825 169 HG1 THR 19 HG1 THR 19 -24.507 1.714 -15.319 170 1HG2 THR 19 2HG2 THR 19 -21.340 2.717 -16.046 171 2HG2 THR 19 1HG2 THR 19 -21.289 1.907 -14.481 172 3HG2 THR 19 3HG2 THR 19 -20.587 1.129 -15.899 173 H ALA 20 H ALA 20 -23.251 -0.876 -18.087 174 HA ALA 20 HA ALA 20 -20.681 -0.863 -19.435 175 1HB ALA 20 3HB ALA 20 -22.420 -2.824 -18.528 176 2HB ALA 20 2HB ALA 20 -22.566 -2.943 -20.281 177 3HB ALA 20 1HB ALA 20 -20.986 -3.107 -19.516 178 H LYS 21 H LYS 21 -24.048 -0.449 -20.435 179 HA LYS 21 HA LYS 21 -23.477 -0.551 -23.272 180 1HB LYS 21 2HB LYS 21 -25.774 -0.655 -21.847 181 2HB LYS 21 1HB LYS 21 -25.797 1.044 -22.323 182 1HG LYS 21 2HG LYS 21 -26.022 0.561 -24.558 183 2HG LYS 21 1HG LYS 21 -25.093 -0.934 -24.435 184 1HD LYS 21 2HD LYS 21 -26.998 -2.013 -23.277 185 2HD LYS 21 1HD LYS 21 -27.930 -0.525 -23.443 186 1HE LYS 21 2HE LYS 21 -26.731 -1.941 -25.829 187 2HE LYS 21 1HE LYS 21 -28.343 -2.322 -25.224 188 1HZ LYS 21 2HZ LYS 21 -28.172 0.441 -25.374 189 2HZ LYS 21 1HZ LYS 21 -27.527 -0.151 -26.829 190 3HZ LYS 21 3HZ LYS 21 -29.094 -0.593 -26.357 191 H ASP 22 H ASP 22 -23.359 1.934 -20.814 192 HA ASP 22 HA ASP 22 -23.238 4.145 -22.710 193 1HB ASP 22 2HB ASP 22 -23.573 3.889 -19.930 194 2HB ASP 22 1HB ASP 22 -22.032 4.723 -20.135 195 H LEU 23 H LEU 23 -20.907 2.181 -20.917 196 HA LEU 23 HA LEU 23 -18.646 3.703 -22.059 197 1HB LEU 23 2HB LEU 23 -18.729 1.282 -20.232 198 2HB LEU 23 1HB LEU 23 -17.257 2.117 -20.728 199 HG LEU 23 HG LEU 23 -19.262 3.968 -19.694 200 1HD1 LEU 23 2HD1 LEU 23 -19.393 1.582 -18.392 201 2HD1 LEU 23 1HD1 LEU 23 -18.093 2.366 -17.495 202 3HD1 LEU 23 3HD1 LEU 23 -19.676 3.136 -17.609 203 1HD2 LEU 23 1HD2 LEU 23 -16.369 3.268 -19.206 204 2HD2 LEU 23 3HD2 LEU 23 -17.044 4.746 -19.893 205 3HD2 LEU 23 2HD2 LEU 23 -17.202 4.423 -18.166 206 H GLY 24 H GLY 24 -20.649 1.225 -23.068 207 1HA GLY 24 2HA GLY 24 -20.417 0.085 -25.166 208 2HA GLY 24 1HA GLY 24 -18.686 0.425 -25.128 209 H VAL 25 H VAL 25 -18.344 -0.518 -22.374 210 HA VAL 25 HA VAL 25 -17.638 -3.199 -22.824 211 HB VAL 25 HB VAL 25 -18.076 -3.327 -20.178 212 1HG1 VAL 25 3HG1 VAL 25 -15.917 -3.060 -21.730 213 2HG1 VAL 25 2HG1 VAL 25 -15.897 -1.457 -20.992 214 3HG1 VAL 25 1HG1 VAL 25 -15.822 -2.898 -19.975 215 1HG2 VAL 25 2HG2 VAL 25 -19.215 -0.922 -20.603 216 2HG2 VAL 25 1HG2 VAL 25 -18.359 -1.308 -19.109 217 3HG2 VAL 25 3HG2 VAL 25 -17.544 -0.400 -20.384 218 OH TYR 26 OH TYR 26 -15.806 -6.791 -25.119 219 H TYR 26 H TYR 26 -18.755 -4.927 -21.104 220 HA TYR 26 HA TYR 26 -21.638 -4.981 -21.908 221 1HB TYR 26 2HB TYR 26 -20.471 -7.576 -21.212 222 2HB TYR 26 1HB TYR 26 -21.407 -7.116 -22.632 223 HD1 TYR 26 HD1 TYR 26 -17.995 -6.875 -21.124 224 HD2 TYR 26 HD2 TYR 26 -20.346 -6.789 -24.718 225 HE1 TYR 26 HE1 TYR 26 -15.920 -6.850 -22.480 226 HE2 TYR 26 HE2 TYR 26 -18.269 -6.765 -26.075 227 HH TYR 26 HH TYR 26 -15.099 -7.166 -24.588 228 H GLN 27 H GLN 27 -22.888 -6.546 -20.360 229 HA GLN 27 HA GLN 27 -22.698 -5.460 -17.706 230 1HB GLN 27 2HB GLN 27 -24.121 -7.998 -18.566 231 2HB GLN 27 1HB GLN 27 -24.466 -7.025 -17.135 232 1HG GLN 27 2HG GLN 27 -25.072 -5.113 -18.584 233 2HG GLN 27 1HG GLN 27 -24.749 -6.100 -20.010 234 1HE2 GLN 27 2HE2 GLN 27 -28.229 -6.843 -19.863 235 2HE2 GLN 27 1HE2 GLN 27 -27.028 -5.965 -20.679 236 H SER 28 H SER 28 -21.099 -8.062 -19.295 237 HA SER 28 HA SER 28 -20.441 -9.533 -16.850 238 1HB SER 28 2HB SER 28 -20.577 -10.483 -19.255 239 2HB SER 28 1HB SER 28 -18.988 -9.758 -19.488 240 HG SER 28 HG SER 28 -19.546 -11.386 -17.253 241 H ALA 29 H ALA 29 -19.208 -6.812 -18.570 242 HA ALA 29 HA ALA 29 -16.508 -7.010 -17.417 243 1HB ALA 29 1HB ALA 29 -17.942 -5.114 -19.246 244 2HB ALA 29 3HB ALA 29 -16.526 -4.528 -18.371 245 3HB ALA 29 2HB ALA 29 -16.381 -5.906 -19.461 246 H ILE 30 H ILE 30 -19.592 -5.603 -16.734 247 HA ILE 30 HA ILE 30 -18.581 -3.728 -14.728 248 HB ILE 30 HB ILE 30 -21.436 -4.668 -14.990 249 1HG1 ILE 30 2HG1 ILE 30 -20.759 -4.157 -17.257 250 2HG1 ILE 30 1HG1 ILE 30 -21.684 -2.781 -16.657 251 1HG2 ILE 30 3HG2 ILE 30 -20.064 -2.105 -14.150 252 2HG2 ILE 30 2HG2 ILE 30 -21.807 -2.246 -14.374 253 3HG2 ILE 30 1HG2 ILE 30 -20.997 -3.200 -13.130 254 1HD1 ILE 30 2HD1 ILE 30 -19.008 -2.307 -15.892 255 2HD1 ILE 30 1HD1 ILE 30 -18.943 -2.860 -17.565 256 3HD1 ILE 30 3HD1 ILE 30 -19.926 -1.460 -17.138 257 H ASN 31 H ASN 31 -20.155 -6.899 -14.793 258 HA ASN 31 HA ASN 31 -20.313 -7.155 -11.912 259 1HB ASN 31 2HB ASN 31 -21.581 -8.479 -13.792 260 2HB ASN 31 1HB ASN 31 -20.151 -9.514 -13.774 261 1HD2 ASN 31 2HD2 ASN 31 -22.109 -9.267 -10.166 262 2HD2 ASN 31 1HD2 ASN 31 -21.812 -7.846 -11.045 263 H LYS 32 H LYS 32 -17.922 -7.943 -14.372 264 HA LYS 32 HA LYS 32 -16.229 -9.456 -12.538 265 1HB LYS 32 2HB LYS 32 -15.782 -8.319 -15.308 266 2HB LYS 32 1HB LYS 32 -14.552 -9.228 -14.429 267 1HG LYS 32 2HG LYS 32 -16.007 -11.174 -14.308 268 2HG LYS 32 1HG LYS 32 -17.332 -10.270 -15.043 269 1HD LYS 32 2HD LYS 32 -16.539 -10.632 -17.122 270 2HD LYS 32 1HD LYS 32 -14.914 -10.125 -16.659 271 1HE LYS 32 2HE LYS 32 -14.217 -12.262 -16.535 272 2HE LYS 32 1HE LYS 32 -15.552 -12.683 -15.463 273 1HZ LYS 32 2HZ LYS 32 -16.889 -12.527 -17.698 274 2HZ LYS 32 1HZ LYS 32 -15.371 -12.877 -18.377 275 3HZ LYS 32 3HZ LYS 32 -16.069 -13.949 -17.262 276 H ALA 33 H ALA 33 -16.377 -6.148 -13.778 277 HA ALA 33 HA ALA 33 -13.872 -5.289 -12.634 278 1HB ALA 33 3HB ALA 33 -16.299 -3.945 -13.753 279 2HB ALA 33 2HB ALA 33 -15.224 -2.982 -12.740 280 3HB ALA 33 1HB ALA 33 -14.604 -3.751 -14.201 281 H ILE 34 H ILE 34 -17.155 -5.581 -11.435 282 HA ILE 34 HA ILE 34 -16.554 -4.168 -8.931 283 HB ILE 34 HB ILE 34 -18.947 -5.753 -9.902 284 1HG1 ILE 34 2HG1 ILE 34 -18.683 -2.813 -9.217 285 2HG1 ILE 34 1HG1 ILE 34 -18.440 -3.445 -10.846 286 1HG2 ILE 34 1HG2 ILE 34 -18.154 -5.118 -7.210 287 2HG2 ILE 34 3HG2 ILE 34 -19.591 -4.184 -7.627 288 3HG2 ILE 34 2HG2 ILE 34 -19.613 -5.942 -7.762 289 1HD1 ILE 34 1HD1 ILE 34 -20.794 -4.616 -10.303 290 2HD1 ILE 34 3HD1 ILE 34 -20.952 -3.200 -9.264 291 3HD1 ILE 34 2HD1 ILE 34 -20.689 -2.998 -10.997 292 H HIS 35 H HIS 35 -16.683 -7.453 -10.147 293 HA HIS 35 HA HIS 35 -16.570 -8.731 -7.544 294 1HB HIS 35 2HB HIS 35 -16.176 -9.622 -10.390 295 2HB HIS 35 1HB HIS 35 -15.709 -10.689 -9.065 296 HD1 HIS 35 HD1 HIS 35 -17.600 -12.373 -9.175 297 HD2 HIS 35 HD2 HIS 35 -18.977 -8.441 -9.026 298 HE1 HIS 35 HE1 HIS 35 -20.108 -12.505 -8.853 299 H ALA 36 H ALA 36 -14.235 -7.367 -9.750 300 HA ALA 36 HA ALA 36 -11.942 -8.714 -8.533 301 1HB ALA 36 1HB ALA 36 -11.982 -7.896 -10.916 302 2HB ALA 36 3HB ALA 36 -11.969 -6.246 -10.294 303 3HB ALA 36 2HB ALA 36 -10.599 -7.314 -9.988 304 H GLY 37 H GLY 37 -13.823 -5.875 -7.898 305 1HA GLY 37 2HA GLY 37 -13.606 -4.209 -6.260 306 2HA GLY 37 1HA GLY 37 -12.634 -5.385 -5.373 307 NH1 ARG 38 NH1 ARG 38 -7.353 -6.309 -12.363 308 NH2 ARG 38 NH2 ARG 38 -7.838 -5.160 -14.248 309 H ARG 38 H ARG 38 -11.689 -4.359 -8.575 310 HA ARG 38 HA ARG 38 -9.108 -3.472 -7.599 311 1HB ARG 38 2HB ARG 38 -10.310 -4.088 -10.134 312 2HB ARG 38 1HB ARG 38 -9.541 -2.504 -10.238 313 1HG ARG 38 2HG ARG 38 -7.589 -3.774 -8.936 314 2HG ARG 38 1HG ARG 38 -8.312 -5.179 -9.721 315 1HD ARG 38 2HD ARG 38 -7.448 -2.651 -11.158 316 2HD ARG 38 1HD ARG 38 -6.514 -4.147 -11.104 317 HE ARG 38 HE ARG 38 -9.176 -3.874 -12.438 318 1HH1 ARG 38 2HH1 ARG 38 -7.346 -6.374 -11.366 319 2HH1 ARG 38 1HH1 ARG 38 -6.992 -7.061 -12.915 320 1HH2 ARG 38 1HH2 ARG 38 -8.202 -4.343 -14.695 321 2HH2 ARG 38 2HH2 ARG 38 -7.478 -5.914 -14.799 322 H LYS 39 H LYS 39 -8.642 -1.162 -9.159 323 HA LYS 39 HA LYS 39 -10.340 0.812 -7.691 324 1HB LYS 39 2HB LYS 39 -7.462 0.735 -8.471 325 2HB LYS 39 1HB LYS 39 -8.261 2.309 -8.487 326 1HG LYS 39 2HG LYS 39 -7.900 2.384 -6.260 327 2HG LYS 39 1HG LYS 39 -9.133 1.131 -6.112 328 1HD LYS 39 2HD LYS 39 -7.294 -0.572 -6.527 329 2HD LYS 39 1HD LYS 39 -6.141 0.750 -6.342 330 1HE LYS 39 2HE LYS 39 -6.262 -0.116 -4.167 331 2HE LYS 39 1HE LYS 39 -7.414 1.219 -4.109 332 1HZ LYS 39 3HZ LYS 39 -9.150 -0.465 -4.728 333 2HZ LYS 39 2HZ LYS 39 -7.990 -1.670 -4.422 334 3HZ LYS 39 1HZ LYS 39 -8.493 -0.634 -3.173 335 H ILE 40 H ILE 40 -11.917 0.460 -9.451 336 HA ILE 40 HA ILE 40 -11.166 1.924 -11.945 337 HB ILE 40 HB ILE 40 -13.646 0.237 -11.566 338 1HG1 ILE 40 2HG1 ILE 40 -11.087 -0.768 -12.813 339 2HG1 ILE 40 1HG1 ILE 40 -11.402 -0.978 -11.090 340 1HG2 ILE 40 1HG2 ILE 40 -12.030 1.123 -13.975 341 2HG2 ILE 40 3HG2 ILE 40 -13.434 0.057 -14.046 342 3HG2 ILE 40 2HG2 ILE 40 -13.619 1.726 -13.505 343 1HD1 ILE 40 2HD1 ILE 40 -13.701 -1.936 -11.877 344 2HD1 ILE 40 1HD1 ILE 40 -12.896 -2.132 -13.435 345 3HD1 ILE 40 3HD1 ILE 40 -12.267 -2.955 -12.007 346 H PHE 41 H PHE 41 -11.560 4.039 -11.391 347 HA PHE 41 HA PHE 41 -14.009 4.726 -9.904 348 1HB PHE 41 2HB PHE 41 -12.016 6.669 -11.076 349 2HB PHE 41 1HB PHE 41 -13.064 6.888 -9.673 350 HD1 PHE 41 HD2 PHE 41 -12.521 3.913 -8.697 351 HD2 PHE 41 HD1 PHE 41 -9.990 7.223 -9.752 352 HE1 PHE 41 HE2 PHE 41 -10.745 3.033 -7.211 353 HE2 PHE 41 HE1 PHE 41 -8.219 6.341 -8.263 354 HZ PHE 41 HZ PHE 41 -8.595 4.247 -6.993 355 H LEU 42 H LEU 42 -15.443 6.470 -10.773 356 HA LEU 42 HA LEU 42 -15.631 6.320 -13.755 357 1HB LEU 42 2HB LEU 42 -17.460 5.331 -11.818 358 2HB LEU 42 1HB LEU 42 -18.208 6.746 -12.558 359 HG LEU 42 HG LEU 42 -17.670 5.782 -14.809 360 1HD1 LEU 42 1HD1 LEU 42 -16.675 3.543 -13.048 361 2HD1 LEU 42 3HD1 LEU 42 -17.206 3.236 -14.701 362 3HD1 LEU 42 2HD1 LEU 42 -15.851 4.323 -14.396 363 1HD2 LEU 42 2HD2 LEU 42 -19.446 4.438 -12.805 364 2HD2 LEU 42 1HD2 LEU 42 -19.886 5.365 -14.238 365 3HD2 LEU 42 3HD2 LEU 42 -19.286 3.713 -14.404 366 H THR 43 H THR 43 -14.971 8.356 -14.330 367 HA THR 43 HA THR 43 -15.930 10.701 -12.793 368 HB THR 43 HB THR 43 -13.995 10.422 -15.114 369 HG1 THR 43 HG1 THR 43 -12.885 9.858 -13.395 370 1HG2 THR 43 1HG2 THR 43 -15.437 12.619 -14.832 371 2HG2 THR 43 3HG2 THR 43 -14.315 12.931 -13.509 372 3HG2 THR 43 2HG2 THR 43 -13.706 12.725 -15.151 373 H ILE 44 H ILE 44 -18.052 11.132 -13.360 374 HA ILE 44 HA ILE 44 -18.712 11.116 -16.272 375 HB ILE 44 HB ILE 44 -20.815 11.347 -14.151 376 1HG1 ILE 44 2HG1 ILE 44 -20.671 8.645 -14.518 377 2HG1 ILE 44 1HG1 ILE 44 -18.958 9.069 -14.533 378 1HG2 ILE 44 3HG2 ILE 44 -20.588 10.708 -16.984 379 2HG2 ILE 44 2HG2 ILE 44 -21.480 9.463 -16.110 380 3HG2 ILE 44 1HG2 ILE 44 -22.020 11.140 -16.050 381 1HD1 ILE 44 1HD1 ILE 44 -19.593 10.499 -12.414 382 2HD1 ILE 44 3HD1 ILE 44 -20.971 9.402 -12.331 383 3HD1 ILE 44 2HD1 ILE 44 -19.329 8.763 -12.252 384 H ASN 45 H ASN 45 -18.662 13.102 -17.182 385 HA ASN 45 HA ASN 45 -18.826 15.527 -15.567 386 1HB ASN 45 2HB ASN 45 -18.842 15.296 -18.589 387 2HB ASN 45 1HB ASN 45 -18.384 16.701 -17.624 388 1HD2 ASN 45 2HD2 ASN 45 -15.088 15.419 -18.249 389 2HD2 ASN 45 1HD2 ASN 45 -16.244 16.522 -18.820 390 H ALA 46 H ALA 46 -20.530 16.992 -15.549 391 HA ALA 46 HA ALA 46 -23.155 16.206 -15.524 392 1HB ALA 46 1HB ALA 46 -22.093 18.529 -15.017 393 2HB ALA 46 3HB ALA 46 -22.490 18.896 -16.696 394 3HB ALA 46 2HB ALA 46 -23.769 18.469 -15.560 395 H ASP 47 H ASP 47 -21.255 16.718 -18.417 396 HA ASP 47 HA ASP 47 -23.597 16.852 -20.168 397 1HB ASP 47 2HB ASP 47 -20.657 16.443 -20.794 398 2HB ASP 47 1HB ASP 47 -21.920 16.727 -21.993 399 H GLY 48 H GLY 48 -23.278 14.458 -18.385 400 1HA GLY 48 2HA GLY 48 -23.523 12.134 -18.537 401 2HA GLY 48 1HA GLY 48 -24.171 12.446 -20.149 402 H SER 49 H SER 49 -20.935 13.456 -19.306 403 HA SER 49 HA SER 49 -19.893 11.620 -21.387 404 1HB SER 49 2HB SER 49 -19.246 14.218 -20.662 405 2HB SER 49 1HB SER 49 -17.929 13.273 -19.975 406 HG SER 49 HG SER 49 -18.870 12.964 -22.633 407 H VAL 50 H VAL 50 -19.550 9.570 -20.580 408 HA VAL 50 HA VAL 50 -18.716 9.177 -17.809 409 HB VAL 50 HB VAL 50 -18.957 7.244 -20.134 410 1HG1 VAL 50 2HG1 VAL 50 -18.260 6.847 -17.218 411 2HG1 VAL 50 1HG1 VAL 50 -18.919 5.547 -18.210 412 3HG1 VAL 50 3HG1 VAL 50 -17.375 6.282 -18.635 413 1HG2 VAL 50 2HG2 VAL 50 -21.018 8.429 -19.032 414 2HG2 VAL 50 1HG2 VAL 50 -21.063 6.680 -19.258 415 3HG2 VAL 50 3HG2 VAL 50 -20.690 7.355 -17.672 416 OH TYR 51 OH TYR 51 -8.565 10.127 -18.750 417 H TYR 51 H TYR 51 -16.654 8.829 -17.080 418 HA TYR 51 HA TYR 51 -14.476 8.379 -19.046 419 1HB TYR 51 2HB TYR 51 -14.659 10.848 -18.705 420 2HB TYR 51 1HB TYR 51 -14.418 10.598 -16.975 421 HD1 TYR 51 HD1 TYR 51 -12.843 9.738 -20.269 422 HD2 TYR 51 HD2 TYR 51 -12.246 10.641 -16.112 423 HE1 TYR 51 HE1 TYR 51 -10.389 9.700 -20.612 424 HE2 TYR 51 HE2 TYR 51 -9.791 10.604 -16.457 425 HH TYR 51 HH TYR 51 -8.195 10.911 -18.336 426 H ALA 52 H ALA 52 -14.640 6.250 -17.928 427 HA ALA 52 HA ALA 52 -13.997 6.122 -15.085 428 1HB ALA 52 2HB ALA 52 -15.387 4.397 -16.197 429 2HB ALA 52 1HB ALA 52 -14.006 3.942 -17.192 430 3HB ALA 52 3HB ALA 52 -13.956 3.689 -15.447 431 H GLU 53 H GLU 53 -12.000 5.802 -14.176 432 HA GLU 53 HA GLU 53 -9.695 5.423 -16.046 433 1HB GLU 53 2HB GLU 53 -10.130 7.443 -13.884 434 2HB GLU 53 1HB GLU 53 -8.500 6.806 -14.103 435 1HG GLU 53 2HG GLU 53 -9.557 7.370 -16.691 436 2HG GLU 53 1HG GLU 53 -9.856 8.781 -15.673 437 H GLU 54 H GLU 54 -7.861 4.333 -15.069 438 HA GLU 54 HA GLU 54 -8.684 2.582 -12.791 439 1HB GLU 54 2HB GLU 54 -8.116 1.492 -15.016 440 2HB GLU 54 1HB GLU 54 -6.464 2.070 -14.793 441 1HG GLU 54 2HG GLU 54 -6.046 0.257 -13.528 442 2HG GLU 54 1HG GLU 54 -7.214 0.856 -12.349 443 H VAL 55 H VAL 55 -7.458 2.681 -10.935 444 HA VAL 55 HA VAL 55 -4.781 3.928 -11.047 445 HB VAL 55 HB VAL 55 -6.250 5.072 -8.821 446 1HG1 VAL 55 2HG1 VAL 55 -4.069 5.730 -10.166 447 2HG1 VAL 55 1HG1 VAL 55 -5.213 6.619 -11.172 448 3HG1 VAL 55 3HG1 VAL 55 -5.083 6.983 -9.451 449 1HG2 VAL 55 2HG2 VAL 55 -7.306 5.663 -11.608 450 2HG2 VAL 55 1HG2 VAL 55 -8.208 4.893 -10.302 451 3HG2 VAL 55 3HG2 VAL 55 -7.706 6.577 -10.153 452 H LYS 56 H LYS 56 -3.702 2.228 -10.163 453 HA LYS 56 HA LYS 56 -4.556 1.362 -7.441 454 1HB LYS 56 2HB LYS 56 -5.334 -0.505 -8.560 455 2HB LYS 56 1HB LYS 56 -4.211 -0.301 -9.900 456 1HG LYS 56 2HG LYS 56 -2.573 -1.532 -8.884 457 2HG LYS 56 1HG LYS 56 -2.979 -0.941 -7.275 458 1HD LYS 56 2HD LYS 56 -3.527 -3.318 -7.431 459 2HD LYS 56 1HD LYS 56 -5.015 -2.379 -7.296 460 1HE LYS 56 2HE LYS 56 -5.742 -3.188 -9.263 461 2HE LYS 56 1HE LYS 56 -4.292 -2.590 -10.069 462 1HZ LYS 56 3HZ LYS 56 -3.806 -4.921 -8.476 463 2HZ LYS 56 2HZ LYS 56 -4.944 -5.201 -9.706 464 3HZ LYS 56 1HZ LYS 56 -3.398 -4.612 -10.093 465 HA PRO 57 HA PRO 57 -0.303 2.144 -6.636 466 1HB PRO 57 2HB PRO 57 -0.137 0.820 -4.225 467 2HB PRO 57 1HB PRO 57 -0.876 2.419 -4.429 468 1HG PRO 57 2HG PRO 57 -2.205 -0.236 -4.067 469 2HG PRO 57 1HG PRO 57 -2.765 1.374 -3.586 470 1HD PRO 57 2HD PRO 57 -3.678 -0.032 -5.831 471 2HD PRO 57 1HD PRO 57 -3.846 1.719 -5.587 472 H PHE 58 H PHE 58 1.752 0.924 -6.188 473 HA PHE 58 HA PHE 58 1.587 -1.927 -7.083 474 1HB PHE 58 2HB PHE 58 2.359 -0.634 -8.971 475 2HB PHE 58 1HB PHE 58 3.507 0.245 -7.964 476 HD1 PHE 58 HD2 PHE 58 5.326 -1.178 -6.746 477 HD2 PHE 58 HD1 PHE 58 3.025 -2.575 -10.094 478 HE1 PHE 58 HE2 PHE 58 7.036 -2.916 -7.197 479 HE2 PHE 58 HE1 PHE 58 4.736 -4.312 -10.545 480 HZ PHE 58 HZ PHE 58 6.742 -4.482 -9.097 481 HA PRO 59 HA PRO 59 2.888 -3.463 -7.409 482 1HB PRO 59 2HB PRO 59 3.291 -5.821 -6.070 483 2HB PRO 59 1HB PRO 59 4.581 -4.938 -6.905 484 1HG PRO 59 2HG PRO 59 4.068 -5.183 -3.983 485 2HG PRO 59 1HG PRO 59 5.586 -4.845 -4.831 486 1HD PRO 59 2HD PRO 59 3.938 -2.943 -3.507 487 2HD PRO 59 1HD PRO 59 5.312 -2.590 -4.576 488 H SER 60 H SER 60 0.968 -4.727 -7.720 489 HA SER 60 HA SER 60 -1.228 -4.105 -5.986 490 1HB SER 60 2HB SER 60 -2.224 -6.155 -7.404 491 2HB SER 60 1HB SER 60 -2.003 -4.554 -8.105 492 HG SER 60 HG SER 60 -1.073 -6.516 -9.211 493 H ASN 61 H ASN 61 -2.629 -5.870 -4.978 494 HA ASN 61 HA ASN 61 -0.874 -7.631 -3.364 495 1HB ASN 61 2HB ASN 61 -2.390 -6.364 -2.029 496 2HB ASN 61 1HB ASN 61 -3.747 -6.720 -3.098 497 1HD2 ASN 61 2HD2 ASN 61 -4.458 -9.142 -0.541 498 2HD2 ASN 61 1HD2 ASN 61 -4.812 -7.558 -1.043 499 H LYS 62 H LYS 62 -0.625 -9.709 -4.013 500 HA LYS 62 HA LYS 62 -2.703 -11.524 -4.546 501 1HB LYS 62 2HB LYS 62 -3.300 -10.300 -6.519 502 2HB LYS 62 1HB LYS 62 -1.616 -10.166 -7.022 503 1HG LYS 62 2HG LYS 62 -2.222 -12.938 -6.639 504 2HG LYS 62 1HG LYS 62 -3.473 -12.231 -7.662 505 1HD LYS 62 2HD LYS 62 -0.671 -11.444 -8.271 506 2HD LYS 62 1HD LYS 62 -1.117 -13.109 -8.645 507 1HE LYS 62 2HE LYS 62 -2.596 -10.633 -9.585 508 2HE LYS 62 1HE LYS 62 -1.543 -11.640 -10.579 509 1HZ LYS 62 2HZ LYS 62 -3.300 -13.392 -9.424 510 2HZ LYS 62 1HZ LYS 62 -4.263 -12.054 -9.831 511 3HZ LYS 62 3HZ LYS 62 -3.346 -12.830 -11.027 512 H LYS 63 H LYS 63 -1.629 -13.345 -3.955 513 HA LYS 63 HA LYS 63 1.186 -13.678 -4.911 514 1HB LYS 63 2HB LYS 63 1.559 -15.093 -2.961 515 2HB LYS 63 1HB LYS 63 0.890 -13.549 -2.431 516 1HG LYS 63 2HG LYS 63 -1.416 -14.853 -2.756 517 2HG LYS 63 1HG LYS 63 -0.381 -16.253 -2.470 518 1HD LYS 63 2HD LYS 63 0.456 -14.471 -0.529 519 2HD LYS 63 1HD LYS 63 -1.284 -14.190 -0.591 520 1HE LYS 63 2HE LYS 63 -1.798 -16.379 0.024 521 2HE LYS 63 1HE LYS 63 -0.253 -17.010 -0.550 522 1HZ LYS 63 2HZ LYS 63 0.425 -15.204 1.380 523 2HZ LYS 63 1HZ LYS 63 -0.946 -15.979 2.021 524 3HZ LYS 63 3HZ LYS 63 0.403 -16.894 1.554 525 H THR 64 H THR 64 1.642 -16.288 -4.749 526 HA THR 64 HA THR 64 -0.626 -17.853 -5.771 527 HB THR 64 HB THR 64 1.646 -18.011 -7.631 528 HG1 THR 64 HG1 THR 64 0.546 -15.964 -8.590 529 1HG2 THR 64 3HG2 THR 64 -1.336 -17.991 -7.662 530 2HG2 THR 64 2HG2 THR 64 -0.504 -17.529 -9.147 531 3HG2 THR 64 1HG2 THR 64 -0.213 -19.114 -8.427 532 H THR 65 H THR 65 -0.032 -19.079 -3.839 533 HA THR 65 HA THR 65 2.541 -20.576 -4.103 534 HB THR 65 HB THR 65 1.227 -21.067 -1.599 535 HG1 THR 65 HG1 THR 65 0.302 -19.203 -1.354 536 1HG2 THR 65 3HG2 THR 65 3.787 -20.586 -2.626 537 2HG2 THR 65 2HG2 THR 65 3.499 -19.263 -1.496 538 3HG2 THR 65 1HG2 THR 65 3.377 -20.935 -0.947 539 H ALA 66 HN ALA 66 2.482 -22.883 -3.874 540 HA ALA 66 HA ALA 66 -0.242 -24.063 -4.258 541 1HB ALA 66 2HB ALA 66 2.178 -24.277 -5.851 542 2HB ALA 66 1HB ALA 66 1.640 -25.864 -5.301 543 3HB ALA 66 3HB ALA 66 0.546 -24.835 -6.225 544 1H MET 1 2H MET 1 12.053 17.269 -4.498 545 2H MET 1 1H MET 1 13.605 17.903 -4.779 546 3H MET 1 3H MET 1 12.275 18.948 -4.640 547 HA MET 1 HA MET 1 11.968 18.860 -6.814 548 1HB MET 1 2HB MET 1 14.504 18.030 -6.574 549 2HB MET 1 1HB MET 1 13.813 16.553 -7.245 550 1HG MET 1 2HG MET 1 12.837 17.880 -9.106 551 2HG MET 1 1HG MET 1 13.609 19.326 -8.453 552 1HE MET 1 2HE MET 1 15.303 20.172 -9.890 553 2HE MET 1 1HE MET 1 16.168 19.231 -11.100 554 3HE MET 1 3HE MET 1 14.401 19.292 -11.121 555 H GLU 2 H GLU 2 10.281 17.967 -7.927 556 HA GLU 2 HA GLU 2 9.122 15.466 -6.965 557 1HB GLU 2 2HB GLU 2 8.328 17.210 -9.320 558 2HB GLU 2 1HB GLU 2 7.357 15.913 -8.621 559 1HG GLU 2 2HG GLU 2 7.132 17.098 -6.537 560 2HG GLU 2 1HG GLU 2 8.314 18.308 -7.034 561 H GLN 3 H GLN 3 10.425 13.725 -7.533 562 HA GLN 3 HA GLN 3 11.541 13.505 -10.235 563 1HB GLN 3 2HB GLN 3 11.831 12.117 -7.670 564 2HB GLN 3 1HB GLN 3 11.793 11.013 -9.044 565 1HG GLN 3 2HG GLN 3 14.040 11.528 -9.057 566 2HG GLN 3 1HG GLN 3 13.447 12.841 -10.074 567 1HE2 GLN 3 2HE2 GLN 3 14.770 13.666 -6.286 568 2HE2 GLN 3 1HE2 GLN 3 14.481 12.058 -6.748 569 NH1 ARG 4 NH1 ARG 4 3.552 11.920 -10.795 570 NH2 ARG 4 NH2 ARG 4 3.244 12.311 -8.591 571 H ARG 4 H ARG 4 10.302 12.822 -11.913 572 HA ARG 4 HA ARG 4 8.208 10.765 -11.347 573 1HB ARG 4 2HB ARG 4 8.006 13.188 -13.161 574 2HB ARG 4 1HB ARG 4 6.836 11.868 -13.145 575 1HG ARG 4 2HG ARG 4 7.544 13.670 -10.810 576 2HG ARG 4 1HG ARG 4 6.027 13.670 -11.711 577 1HD ARG 4 2HD ARG 4 5.820 11.196 -11.040 578 2HD ARG 4 1HD ARG 4 7.106 11.525 -9.879 579 HE ARG 4 HE ARG 4 5.593 13.158 -8.794 580 1HH1 ARG 4 2HH1 ARG 4 4.156 11.882 -11.592 581 2HH1 ARG 4 1HH1 ARG 4 2.582 11.698 -10.892 582 1HH2 ARG 4 1HH2 ARG 4 3.609 12.572 -7.698 583 2HH2 ARG 4 2HH2 ARG 4 2.273 12.089 -8.688 584 H ILE 5 H ILE 5 9.080 8.956 -12.279 585 HA ILE 5 HA ILE 5 9.823 9.142 -15.153 586 HB ILE 5 HB ILE 5 11.472 7.611 -13.128 587 1HG1 ILE 5 2HG1 ILE 5 13.054 9.635 -14.179 588 2HG1 ILE 5 1HG1 ILE 5 11.505 10.437 -13.909 589 1HG2 ILE 5 2HG2 ILE 5 11.808 8.266 -16.068 590 2HG2 ILE 5 1HG2 ILE 5 13.089 7.582 -15.069 591 3HG2 ILE 5 3HG2 ILE 5 11.606 6.668 -15.349 592 1HD1 ILE 5 3HD1 ILE 5 11.520 9.371 -11.583 593 2HD1 ILE 5 2HD1 ILE 5 13.209 8.966 -11.890 594 3HD1 ILE 5 1HD1 ILE 5 12.699 10.654 -11.854 595 H THR 6 H THR 6 9.363 7.224 -16.314 596 HA THR 6 HA THR 6 7.322 5.530 -15.145 597 HB THR 6 HB THR 6 8.826 5.024 -17.721 598 HG1 THR 6 HG1 THR 6 7.775 6.625 -18.592 599 1HG2 THR 6 3HG2 THR 6 6.049 4.348 -16.717 600 2HG2 THR 6 2HG2 THR 6 6.586 4.096 -18.378 601 3HG2 THR 6 1HG2 THR 6 7.358 3.217 -17.059 602 H LEU 7 H LEU 7 7.481 3.257 -14.752 603 HA LEU 7 HA LEU 7 9.797 2.371 -13.388 604 1HB LEU 7 2HB LEU 7 7.700 1.278 -12.961 605 2HB LEU 7 1HB LEU 7 7.508 0.852 -14.661 606 HG LEU 7 HG LEU 7 9.472 -0.622 -14.531 607 1HD1 LEU 7 1HD1 LEU 7 9.544 0.395 -11.682 608 2HD1 LEU 7 3HD1 LEU 7 10.361 -1.087 -12.177 609 3HD1 LEU 7 2HD1 LEU 7 10.831 0.458 -12.886 610 1HD2 LEU 7 2HD2 LEU 7 7.195 -1.484 -13.950 611 2HD2 LEU 7 1HD2 LEU 7 8.483 -2.351 -13.115 612 3HD2 LEU 7 3HD2 LEU 7 7.533 -1.141 -12.253 613 H LYS 8 H LYS 8 9.120 2.508 -16.768 614 HA LYS 8 HA LYS 8 11.026 0.413 -17.497 615 1HB LYS 8 2HB LYS 8 10.446 0.881 -19.745 616 2HB LYS 8 1HB LYS 8 8.954 1.148 -18.844 617 1HG LYS 8 2HG LYS 8 9.424 3.571 -18.777 618 2HG LYS 8 1HG LYS 8 10.916 3.306 -19.683 619 1HD LYS 8 2HD LYS 8 9.241 2.062 -21.353 620 2HD LYS 8 1HD LYS 8 8.082 3.170 -20.618 621 1HE LYS 8 2HE LYS 8 9.292 5.083 -21.323 622 2HE LYS 8 1HE LYS 8 10.740 4.140 -21.670 623 1HZ LYS 8 1HZ LYS 8 9.336 2.961 -23.385 624 2HZ LYS 8 3HZ LYS 8 8.192 4.195 -23.174 625 3HZ LYS 8 2HZ LYS 8 9.752 4.571 -23.735 626 H ASP 9 H ASP 9 10.985 3.967 -17.514 627 HA ASP 9 HA ASP 9 13.713 4.122 -18.547 628 1HB ASP 9 2HB ASP 9 11.607 6.043 -17.703 629 2HB ASP 9 1HB ASP 9 13.274 6.597 -17.558 630 OH TYR 10 OH TYR 10 15.514 3.973 -7.898 631 H TYR 10 H TYR 10 12.275 3.706 -15.451 632 HA TYR 10 HA TYR 10 14.622 4.762 -14.009 633 1HB TYR 10 2HB TYR 10 12.362 5.064 -13.048 634 2HB TYR 10 1HB TYR 10 12.159 3.313 -12.987 635 HD1 TYR 10 HD2 TYR 10 14.065 1.992 -11.737 636 HD2 TYR 10 HD1 TYR 10 13.235 6.167 -11.179 637 HE1 TYR 10 HE2 TYR 10 15.217 1.925 -9.543 638 HE2 TYR 10 HE1 TYR 10 14.384 6.101 -8.982 639 HH TYR 10 HH TYR 10 15.167 3.228 -7.404 640 H ALA 11 H ALA 11 13.196 1.683 -14.937 641 HA ALA 11 HA ALA 11 15.142 0.119 -13.397 642 1HB ALA 11 1HB ALA 11 12.772 -0.631 -13.914 643 2HB ALA 11 3HB ALA 11 13.289 -0.855 -15.586 644 3HB ALA 11 2HB ALA 11 14.028 -1.808 -14.300 645 H MET 12 H MET 12 14.808 1.358 -16.667 646 HA MET 12 HA MET 12 17.028 -0.327 -17.639 647 1HB MET 12 2HB MET 12 14.978 1.425 -18.853 648 2HB MET 12 1HB MET 12 16.542 1.420 -19.667 649 1HG MET 12 2HG MET 12 16.249 -1.233 -19.252 650 2HG MET 12 1HG MET 12 14.552 -0.768 -19.378 651 1HE MET 12 1HE MET 12 13.396 -0.218 -20.898 652 2HE MET 12 3HE MET 12 13.857 0.931 -22.161 653 3HE MET 12 2HE MET 12 13.646 -0.775 -22.551 654 NH1 ARG 13 NH1 ARG 13 19.093 9.071 -17.928 655 NH2 ARG 13 NH2 ARG 13 17.181 10.179 -17.448 656 H ARG 13 H ARG 13 16.418 3.063 -16.808 657 HA ARG 13 HA ARG 13 19.100 3.870 -17.670 658 1HB ARG 13 2HB ARG 13 16.984 5.362 -16.093 659 2HB ARG 13 1HB ARG 13 18.471 6.073 -16.720 660 1HG ARG 13 2HG ARG 13 17.398 4.785 -18.934 661 2HG ARG 13 1HG ARG 13 15.981 5.452 -18.123 662 1HD ARG 13 2HD ARG 13 18.446 6.951 -19.039 663 2HD ARG 13 1HD ARG 13 16.793 7.153 -19.618 664 HE ARG 13 HE ARG 13 16.495 7.750 -16.988 665 1HH1 ARG 13 2HH1 ARG 13 19.574 8.213 -18.112 666 2HH1 ARG 13 1HH1 ARG 13 19.596 9.935 -17.926 667 1HH2 ARG 13 1HH2 ARG 13 16.198 10.170 -17.265 668 2HH2 ARG 13 2HH2 ARG 13 17.682 11.045 -17.448 669 H PHE 14 H PHE 14 17.522 2.951 -14.661 670 HA PHE 14 HA PHE 14 20.081 3.511 -13.220 671 1HB PHE 14 2HB PHE 14 17.377 2.934 -11.986 672 2HB PHE 14 1HB PHE 14 18.805 3.591 -11.186 673 HD1 PHE 14 HD2 PHE 14 19.814 5.746 -12.542 674 HD2 PHE 14 HD1 PHE 14 15.711 4.475 -12.485 675 HE1 PHE 14 HE2 PHE 14 19.094 8.042 -13.146 676 HE2 PHE 14 HE1 PHE 14 14.992 6.769 -13.089 677 HZ PHE 14 HZ PHE 14 16.682 8.553 -13.418 678 H GLY 15 H GLY 15 18.244 1.016 -14.565 679 1HA GLY 15 2HA GLY 15 19.124 -1.255 -14.615 680 2HA GLY 15 1HA GLY 15 19.827 -0.979 -13.021 681 H GLN 16 H GLN 16 17.923 -3.098 -13.985 682 HA GLN 16 HA GLN 16 15.368 -2.528 -12.709 683 1HB GLN 16 2HB GLN 16 16.632 -5.107 -13.681 684 2HB GLN 16 1HB GLN 16 14.993 -4.999 -13.037 685 1HG GLN 16 2HG GLN 16 14.207 -4.209 -14.994 686 2HG GLN 16 1HG GLN 16 15.434 -2.943 -15.029 687 1HE2 GLN 16 2HE2 GLN 16 15.803 -5.903 -17.626 688 2HE2 GLN 16 1HE2 GLN 16 14.355 -5.436 -16.874 689 H THR 17 H THR 17 18.424 -3.931 -11.727 690 HA THR 17 HA THR 17 17.502 -5.238 -9.344 691 HB THR 17 HB THR 17 20.223 -3.962 -9.610 692 HG1 THR 17 HG1 THR 17 19.737 -6.519 -10.604 693 1HG2 THR 17 2HG2 THR 17 19.209 -5.390 -7.598 694 2HG2 THR 17 1HG2 THR 17 19.691 -6.733 -8.633 695 3HG2 THR 17 3HG2 THR 17 20.893 -5.562 -8.091 696 H LYS 18 H LYS 18 18.769 -1.958 -9.944 697 HA LYS 18 HA LYS 18 18.588 -1.102 -7.205 698 1HB LYS 18 2HB LYS 18 18.751 0.328 -9.852 699 2HB LYS 18 1HB LYS 18 18.494 1.233 -8.360 700 1HG LYS 18 2HG LYS 18 20.561 0.536 -7.444 701 2HG LYS 18 1HG LYS 18 20.727 -0.782 -8.607 702 1HD LYS 18 2HD LYS 18 20.470 1.699 -10.035 703 2HD LYS 18 1HD LYS 18 21.746 1.860 -8.828 704 1HE LYS 18 2HE LYS 18 21.570 -0.526 -10.676 705 2HE LYS 18 1HE LYS 18 22.460 0.933 -11.106 706 1HZ LYS 18 1HZ LYS 18 23.162 0.207 -8.498 707 2HZ LYS 18 3HZ LYS 18 23.284 -1.178 -9.468 708 3HZ LYS 18 2HZ LYS 18 24.144 0.228 -9.884 709 H THR 19 H THR 19 16.330 -1.049 -9.923 710 HA THR 19 HA THR 19 14.312 0.561 -8.679 711 HB THR 19 HB THR 19 13.797 -1.689 -10.639 712 HG1 THR 19 HG1 THR 19 15.247 0.614 -10.914 713 1HG2 THR 19 2HG2 THR 19 12.282 0.547 -9.528 714 2HG2 THR 19 1HG2 THR 19 12.304 0.565 -11.292 715 3HG2 THR 19 3HG2 THR 19 11.708 -0.855 -10.432 716 H ALA 20 H ALA 20 15.127 -2.856 -8.462 717 HA ALA 20 HA ALA 20 12.703 -3.477 -6.911 718 1HB ALA 20 3HB ALA 20 14.297 -5.008 -8.503 719 2HB ALA 20 2HB ALA 20 14.963 -5.391 -6.917 720 3HB ALA 20 1HB ALA 20 13.253 -5.669 -7.245 721 H LYS 21 H LYS 21 15.964 -2.452 -6.340 722 HA LYS 21 HA LYS 21 16.105 -3.404 -3.596 723 1HB LYS 21 2HB LYS 21 17.866 -2.136 -5.451 724 2HB LYS 21 1HB LYS 21 17.796 -1.128 -4.006 725 1HG LYS 21 2HG LYS 21 18.031 -4.072 -3.597 726 2HG LYS 21 1HG LYS 21 19.459 -3.224 -4.191 727 1HD LYS 21 2HD LYS 21 18.031 -1.909 -1.951 728 2HD LYS 21 1HD LYS 21 18.839 -3.426 -1.557 729 1HE LYS 21 2HE LYS 21 20.726 -2.152 -3.108 730 2HE LYS 21 1HE LYS 21 20.000 -0.809 -2.225 731 1HZ LYS 21 2HZ LYS 21 20.790 -3.291 -0.837 732 2HZ LYS 21 1HZ LYS 21 21.927 -2.066 -1.144 733 3HZ LYS 21 3HZ LYS 21 20.563 -1.736 -0.192 734 H ASP 22 H ASP 22 15.041 -0.467 -5.216 735 HA ASP 22 HA ASP 22 14.647 0.970 -2.689 736 1HB ASP 22 2HB ASP 22 14.076 1.562 -5.588 737 2HB ASP 22 1HB ASP 22 13.379 2.567 -4.317 738 H LEU 23 H LEU 23 12.680 -0.758 -5.067 739 HA LEU 23 HA LEU 23 10.202 -0.179 -3.592 740 1HB LEU 23 2HB LEU 23 10.802 -1.905 -6.010 741 2HB LEU 23 1HB LEU 23 9.189 -1.712 -5.321 742 HG LEU 23 HG LEU 23 10.611 0.826 -5.793 743 1HD1 LEU 23 2HD1 LEU 23 10.607 -1.188 -7.850 744 2HD1 LEU 23 1HD1 LEU 23 9.537 0.131 -8.325 745 3HD1 LEU 23 3HD1 LEU 23 11.223 0.463 -7.927 746 1HD2 LEU 23 1HD2 LEU 23 8.029 0.005 -5.327 747 2HD2 LEU 23 3HD2 LEU 23 8.471 1.577 -5.988 748 3HD2 LEU 23 2HD2 LEU 23 8.013 0.263 -7.072 749 H GLY 24 H GLY 24 12.734 -2.404 -3.330 750 1HA GLY 24 2HA GLY 24 12.984 -4.306 -1.981 751 2HA GLY 24 1HA GLY 24 11.468 -3.850 -1.205 752 H VAL 25 H VAL 25 11.887 -4.551 -4.649 753 HA VAL 25 HA VAL 25 10.057 -6.887 -4.273 754 HB VAL 25 HB VAL 25 10.388 -5.622 -6.954 755 1HG1 VAL 25 2HG1 VAL 25 8.683 -7.494 -5.694 756 2HG1 VAL 25 1HG1 VAL 25 7.696 -6.069 -6.018 757 3HG1 VAL 25 3HG1 VAL 25 8.552 -6.866 -7.337 758 1HG2 VAL 25 1HG2 VAL 25 8.945 -4.357 -4.611 759 2HG2 VAL 25 3HG2 VAL 25 10.160 -3.620 -5.654 760 3HG2 VAL 25 2HG2 VAL 25 8.554 -3.975 -6.288 761 OH TYR 26 OH TYR 26 6.143 -10.606 -6.607 762 H TYR 26 H TYR 26 10.374 -8.190 -6.634 763 HA TYR 26 HA TYR 26 13.264 -8.937 -6.568 764 1HB TYR 26 2HB TYR 26 12.144 -11.043 -7.810 765 2HB TYR 26 1HB TYR 26 12.243 -10.932 -6.053 766 HD1 TYR 26 HD1 TYR 26 10.265 -9.960 -4.775 767 HD2 TYR 26 HD2 TYR 26 10.046 -11.082 -8.915 768 HE1 TYR 26 HE1 TYR 26 7.791 -10.013 -4.628 769 HE2 TYR 26 HE2 TYR 26 7.570 -11.135 -8.769 770 HH TYR 26 HH TYR 26 5.807 -11.006 -7.412 771 H GLN 27 H GLN 27 14.194 -9.637 -8.671 772 HA GLN 27 HA GLN 27 13.695 -7.711 -10.739 773 1HB GLN 27 2HB GLN 27 15.085 -10.364 -11.149 774 2HB GLN 27 1HB GLN 27 15.390 -8.837 -11.976 775 1HG GLN 27 2HG GLN 27 16.039 -9.559 -9.112 776 2HG GLN 27 1HG GLN 27 17.156 -9.069 -10.386 777 1HE2 GLN 27 2HE2 GLN 27 16.213 -6.156 -8.086 778 2HE2 GLN 27 1HE2 GLN 27 16.667 -7.752 -7.721 779 H SER 28 H SER 28 12.340 -10.838 -10.043 780 HA SER 28 HA SER 28 11.360 -11.396 -12.706 781 1HB SER 28 2HB SER 28 9.814 -12.447 -10.417 782 2HB SER 28 1HB SER 28 10.528 -13.304 -11.779 783 HG SER 28 HG SER 28 12.521 -13.180 -10.765 784 H ALA 29 H ALA 29 10.336 -9.296 -10.157 785 HA ALA 29 HA ALA 29 7.580 -9.084 -11.193 786 1HB ALA 29 2HB ALA 29 9.103 -7.912 -8.883 787 2HB ALA 29 1HB ALA 29 7.636 -7.106 -9.441 788 3HB ALA 29 3HB ALA 29 7.565 -8.775 -8.877 789 H ILE 30 H ILE 30 10.641 -7.388 -11.243 790 HA ILE 30 HA ILE 30 9.595 -5.008 -12.551 791 HB ILE 30 HB ILE 30 12.453 -6.014 -12.456 792 1HG1 ILE 30 2HG1 ILE 30 11.447 -5.900 -10.186 793 2HG1 ILE 30 1HG1 ILE 30 12.677 -4.657 -10.416 794 1HG2 ILE 30 1HG2 ILE 30 11.712 -4.098 -14.013 795 2HG2 ILE 30 3HG2 ILE 30 11.455 -3.172 -12.536 796 3HG2 ILE 30 2HG2 ILE 30 13.064 -3.780 -12.925 797 1HD1 ILE 30 1HD1 ILE 30 10.166 -3.613 -11.313 798 2HD1 ILE 30 3HD1 ILE 30 9.940 -4.299 -9.704 799 3HD1 ILE 30 2HD1 ILE 30 11.162 -3.056 -9.969 800 H ASN 31 H ASN 31 10.696 -8.155 -13.529 801 HA ASN 31 HA ASN 31 11.139 -7.379 -16.325 802 1HB ASN 31 2HB ASN 31 11.930 -9.532 -14.746 803 2HB ASN 31 1HB ASN 31 10.724 -10.231 -15.827 804 1HD2 ASN 31 2HD2 ASN 31 12.748 -8.857 -18.714 805 2HD2 ASN 31 1HD2 ASN 31 11.212 -8.479 -18.097 806 H LYS 32 H LYS 32 8.649 -9.109 -14.447 807 HA LYS 32 HA LYS 32 6.957 -9.574 -16.753 808 1HB LYS 32 2HB LYS 32 5.264 -10.248 -15.124 809 2HB LYS 32 1HB LYS 32 6.823 -10.938 -14.669 810 1HG LYS 32 2HG LYS 32 7.179 -9.211 -13.020 811 2HG LYS 32 1HG LYS 32 5.743 -8.340 -13.558 812 1HD LYS 32 2HD LYS 32 5.459 -11.191 -12.666 813 2HD LYS 32 1HD LYS 32 5.613 -9.926 -11.447 814 1HE LYS 32 2HE LYS 32 3.325 -9.878 -11.718 815 2HE LYS 32 1HE LYS 32 3.774 -8.746 -12.993 816 1HZ LYS 32 3HZ LYS 32 3.944 -11.363 -13.992 817 2HZ LYS 32 2HZ LYS 32 2.429 -11.173 -13.249 818 3HZ LYS 32 1HZ LYS 32 2.911 -10.111 -14.484 819 H ALA 33 H ALA 33 7.452 -6.944 -14.532 820 HA ALA 33 HA ALA 33 4.939 -5.596 -15.122 821 1HB ALA 33 3HB ALA 33 7.446 -4.942 -13.636 822 2HB ALA 33 2HB ALA 33 6.445 -3.596 -14.182 823 3HB ALA 33 1HB ALA 33 5.768 -4.819 -13.108 824 H ILE 34 H ILE 34 8.301 -5.299 -16.215 825 HA ILE 34 HA ILE 34 7.737 -3.118 -18.046 826 HB ILE 34 HB ILE 34 10.044 -5.077 -17.857 827 1HG1 ILE 34 2HG1 ILE 34 9.799 -3.474 -15.978 828 2HG1 ILE 34 1HG1 ILE 34 11.239 -3.132 -16.937 829 1HG2 ILE 34 3HG2 ILE 34 9.296 -3.174 -19.941 830 2HG2 ILE 34 2HG2 ILE 34 10.883 -2.819 -19.258 831 3HG2 ILE 34 1HG2 ILE 34 10.555 -4.407 -19.954 832 1HD1 ILE 34 3HD1 ILE 34 9.822 -1.471 -18.247 833 2HD1 ILE 34 2HD1 ILE 34 8.587 -1.680 -17.006 834 3HD1 ILE 34 1HD1 ILE 34 10.166 -1.023 -16.577 835 H HIS 35 H HIS 35 7.604 -6.603 -18.183 836 HA HIS 35 HA HIS 35 7.540 -6.812 -21.069 837 1HB HIS 35 2HB HIS 35 6.866 -8.642 -18.777 838 2HB HIS 35 1HB HIS 35 6.425 -9.095 -20.423 839 HD1 HIS 35 HD1 HIS 35 8.552 -10.768 -19.007 840 HD2 HIS 35 HD2 HIS 35 9.473 -7.432 -21.332 841 HE1 HIS 35 HE1 HIS 35 10.964 -11.042 -19.731 842 H ALA 36 H ALA 36 5.074 -6.527 -18.534 843 HA ALA 36 HA ALA 36 2.835 -6.877 -20.335 844 1HB ALA 36 3HB ALA 36 2.834 -7.113 -17.776 845 2HB ALA 36 2HB ALA 36 2.775 -5.352 -17.727 846 3HB ALA 36 1HB ALA 36 1.467 -6.257 -18.489 847 H GLY 37 H GLY 37 5.030 -4.325 -19.779 848 1HA GLY 37 2HA GLY 37 5.013 -2.050 -20.392 849 2HA GLY 37 1HA GLY 37 4.156 -2.649 -21.813 850 NH1 ARG 38 NH1 ARG 38 -2.761 -5.917 -17.681 851 NH2 ARG 38 NH2 ARG 38 -1.738 -6.399 -19.641 852 H ARG 38 H ARG 38 2.941 -2.814 -18.497 853 HA ARG 38 HA ARG 38 0.484 -1.460 -19.341 854 1HB ARG 38 2HB ARG 38 1.202 -3.288 -17.302 855 2HB ARG 38 1HB ARG 38 0.672 -1.817 -16.485 856 1HG ARG 38 2HG ARG 38 -1.237 -3.323 -16.917 857 2HG ARG 38 1HG ARG 38 -1.402 -1.817 -17.820 858 1HD ARG 38 2HD ARG 38 -0.824 -2.833 -19.863 859 2HD ARG 38 1HD ARG 38 -0.077 -4.218 -19.067 860 HE ARG 38 HE ARG 38 -3.006 -3.782 -19.362 861 1HH1 ARG 38 2HH1 ARG 38 -3.137 -5.244 -17.043 862 2HH1 ARG 38 1HH1 ARG 38 -2.793 -6.890 -17.457 863 1HH2 ARG 38 1HH2 ARG 38 -1.332 -6.095 -20.502 864 2HH2 ARG 38 2HH2 ARG 38 -1.769 -7.374 -19.418 865 H LYS 39 H LYS 39 -0.374 0.332 -17.827 866 HA LYS 39 HA LYS 39 1.528 2.517 -17.848 867 1HB LYS 39 2HB LYS 39 -1.206 2.356 -16.545 868 2HB LYS 39 1HB LYS 39 -0.302 3.833 -16.883 869 1HG LYS 39 2HG LYS 39 -0.657 2.042 -19.205 870 2HG LYS 39 1HG LYS 39 -2.147 2.755 -18.584 871 1HD LYS 39 2HD LYS 39 -0.029 4.732 -18.667 872 2HD LYS 39 1HD LYS 39 -0.253 3.996 -20.253 873 1HE LYS 39 2HE LYS 39 -2.582 4.570 -20.288 874 2HE LYS 39 1HE LYS 39 -2.557 5.035 -18.587 875 1HZ LYS 39 1HZ LYS 39 -0.597 6.545 -19.750 876 2HZ LYS 39 3HZ LYS 39 -1.851 6.560 -20.893 877 3HZ LYS 39 2HZ LYS 39 -2.145 7.080 -19.302 878 H ILE 40 H ILE 40 3.202 1.660 -16.466 879 HA ILE 40 HA ILE 40 2.489 1.781 -13.565 880 HB ILE 40 HB ILE 40 4.766 0.290 -14.917 881 1HG1 ILE 40 2HG1 ILE 40 2.254 -0.658 -13.498 882 2HG1 ILE 40 1HG1 ILE 40 2.615 -0.835 -15.216 883 1HG2 ILE 40 3HG2 ILE 40 4.056 0.818 -12.039 884 2HG2 ILE 40 2HG2 ILE 40 4.923 -0.650 -12.488 885 3HG2 ILE 40 1HG2 ILE 40 5.629 0.929 -12.828 886 1HD1 ILE 40 3HD1 ILE 40 4.674 -2.150 -14.550 887 2HD1 ILE 40 2HD1 ILE 40 4.065 -2.132 -12.895 888 3HD1 ILE 40 1HD1 ILE 40 3.142 -2.936 -14.163 889 H PHE 41 H PHE 41 2.905 3.892 -13.115 890 HA PHE 41 HA PHE 41 5.346 5.157 -14.192 891 1HB PHE 41 2HB PHE 41 3.229 6.350 -12.388 892 2HB PHE 41 1HB PHE 41 4.393 7.215 -13.395 893 HD1 PHE 41 HD1 PHE 41 1.388 5.014 -13.461 894 HD2 PHE 41 HD2 PHE 41 4.053 7.485 -15.755 895 HE1 PHE 41 HE1 PHE 41 -0.175 4.926 -15.383 896 HE2 PHE 41 HE2 PHE 41 2.488 7.395 -17.674 897 HZ PHE 41 HZ PHE 41 0.375 6.115 -17.488 898 H LEU 42 H LEU 42 6.744 6.394 -12.652 899 HA LEU 42 HA LEU 42 6.920 5.023 -9.998 900 1HB LEU 42 2HB LEU 42 8.793 4.999 -12.155 901 2HB LEU 42 1HB LEU 42 9.497 5.935 -10.837 902 HG LEU 42 HG LEU 42 9.088 4.089 -9.272 903 1HD1 LEU 42 3HD1 LEU 42 7.047 3.328 -10.760 904 2HD1 LEU 42 2HD1 LEU 42 8.262 2.327 -11.551 905 3HD1 LEU 42 1HD1 LEU 42 7.950 2.137 -9.828 906 1HD2 LEU 42 3HD2 LEU 42 10.935 4.107 -11.373 907 2HD2 LEU 42 2HD2 LEU 42 11.027 3.122 -9.913 908 3HD2 LEU 42 1HD2 LEU 42 10.288 2.467 -11.374 909 H THR 43 H THR 43 6.107 6.681 -8.724 910 HA THR 43 HA THR 43 7.106 9.439 -9.124 911 HB THR 43 HB THR 43 5.065 8.245 -7.223 912 HG1 THR 43 HG1 THR 43 4.149 8.468 -9.163 913 1HG2 THR 43 2HG2 THR 43 6.182 11.038 -7.460 914 2HG2 THR 43 1HG2 THR 43 4.578 10.735 -6.793 915 3HG2 THR 43 3HG2 THR 43 6.001 10.051 -6.010 916 H ILE 44 H ILE 44 9.177 9.637 -8.321 917 HA ILE 44 HA ILE 44 9.839 8.301 -5.761 918 HB ILE 44 HB ILE 44 11.810 9.970 -7.277 919 1HG1 ILE 44 2HG1 ILE 44 10.945 7.170 -8.081 920 2HG1 ILE 44 1HG1 ILE 44 10.592 8.636 -8.998 921 1HG2 ILE 44 2HG2 ILE 44 11.911 7.329 -5.786 922 2HG2 ILE 44 1HG2 ILE 44 13.301 8.113 -6.538 923 3HG2 ILE 44 3HG2 ILE 44 12.476 8.887 -5.184 924 1HD1 ILE 44 1HD1 ILE 44 13.019 9.070 -9.225 925 2HD1 ILE 44 3HD1 ILE 44 13.358 7.581 -8.340 926 3HD1 ILE 44 2HD1 ILE 44 12.573 7.510 -9.918 927 H ASN 45 H ASN 45 10.040 9.415 -3.873 928 HA ASN 45 HA ASN 45 9.425 12.304 -3.910 929 1HB ASN 45 2HB ASN 45 9.515 10.176 -1.785 930 2HB ASN 45 1HB ASN 45 9.564 11.878 -1.327 931 1HD2 ASN 45 2HD2 ASN 45 6.086 12.197 -1.678 932 2HD2 ASN 45 1HD2 ASN 45 7.514 12.689 -0.903 933 H ALA 46 H ALA 46 10.799 13.858 -2.913 934 HA ALA 46 HA ALA 46 13.462 13.927 -3.534 935 1HB ALA 46 2HB ALA 46 11.949 15.130 -1.237 936 2HB ALA 46 1HB ALA 46 13.694 15.355 -1.342 937 3HB ALA 46 3HB ALA 46 12.652 15.925 -2.645 938 H ASP 47 H ASP 47 12.059 12.086 -0.904 939 HA ASP 47 HA ASP 47 14.696 11.539 0.286 940 1HB ASP 47 2HB ASP 47 11.997 11.401 1.169 941 2HB ASP 47 1HB ASP 47 12.647 9.762 1.235 942 H GLY 48 H GLY 48 14.284 10.757 -2.497 943 1HA GLY 48 2HA GLY 48 14.517 8.883 -3.898 944 2HA GLY 48 1HA GLY 48 15.502 8.250 -2.577 945 H SER 49 H SER 49 12.067 9.023 -2.311 946 HA SER 49 HA SER 49 11.584 6.224 -1.474 947 1HB SER 49 2HB SER 49 10.432 8.765 -0.850 948 2HB SER 49 1HB SER 49 9.169 7.753 -1.544 949 HG SER 49 HG SER 49 10.759 7.349 0.744 950 H VAL 50 H VAL 50 11.366 4.866 -3.218 951 HA VAL 50 HA VAL 50 10.162 5.797 -5.705 952 HB VAL 50 HB VAL 50 10.891 2.980 -4.840 953 1HG1 VAL 50 2HG1 VAL 50 10.384 4.199 -7.570 954 2HG1 VAL 50 1HG1 VAL 50 10.917 2.545 -7.273 955 3HG1 VAL 50 3HG1 VAL 50 9.321 3.067 -6.735 956 1HG2 VAL 50 3HG2 VAL 50 12.811 4.557 -4.808 957 2HG2 VAL 50 2HG2 VAL 50 12.963 3.367 -6.101 958 3HG2 VAL 50 1HG2 VAL 50 12.445 5.011 -6.472 959 OH TYR 51 OH TYR 51 0.429 4.264 -2.843 960 H TYR 51 H TYR 51 8.012 6.045 -5.867 961 HA TYR 51 HA TYR 51 6.244 4.003 -4.580 962 1HB TYR 51 2HB TYR 51 6.157 6.342 -3.555 963 2HB TYR 51 1HB TYR 51 5.493 6.893 -5.094 964 HD1 TYR 51 HD1 TYR 51 4.954 3.774 -3.080 965 HD2 TYR 51 HD2 TYR 51 3.202 7.273 -4.852 966 HE1 TYR 51 HE1 TYR 51 2.703 2.997 -2.387 967 HE2 TYR 51 HE2 TYR 51 0.951 6.495 -4.160 968 HH TYR 51 HH TYR 51 0.421 4.192 -1.885 969 H ALA 52 H ALA 52 6.177 2.781 -6.540 970 HA ALA 52 HA ALA 52 5.461 4.063 -9.060 971 1HB ALA 52 3HB ALA 52 6.731 1.751 -8.475 972 2HB ALA 52 2HB ALA 52 5.098 1.132 -8.728 973 3HB ALA 52 1HB ALA 52 5.911 2.028 -10.012 974 H GLU 53 H GLU 53 3.453 4.047 -10.066 975 HA GLU 53 HA GLU 53 1.163 2.913 -8.517 976 1HB GLU 53 2HB GLU 53 1.650 5.693 -9.429 977 2HB GLU 53 1HB GLU 53 0.026 5.063 -9.702 978 1HG GLU 53 2HG GLU 53 -0.322 4.643 -7.394 979 2HG GLU 53 1HG GLU 53 1.397 4.784 -7.027 980 H GLU 54 H GLU 54 -0.834 2.962 -9.970 981 HA GLU 54 HA GLU 54 -0.075 2.131 -12.745 982 1HB GLU 54 2HB GLU 54 -0.859 0.314 -11.006 983 2HB GLU 54 1HB GLU 54 -2.462 0.983 -11.314 984 1HG GLU 54 2HG GLU 54 -2.588 -0.051 -13.311 985 2HG GLU 54 1HG GLU 54 -1.015 0.581 -13.799 986 H VAL 55 H VAL 55 -1.379 3.003 -14.373 987 HA VAL 55 HA VAL 55 -3.911 4.306 -13.646 988 HB VAL 55 HB VAL 55 -2.269 6.173 -15.187 989 1HG1 VAL 55 1HG1 VAL 55 -4.386 6.118 -13.217 990 2HG1 VAL 55 3HG1 VAL 55 -3.141 7.273 -12.739 991 3HG1 VAL 55 2HG1 VAL 55 -3.925 7.422 -14.312 992 1HG2 VAL 55 3HG2 VAL 55 -0.575 5.074 -13.572 993 2HG2 VAL 55 2HG2 VAL 55 -0.716 6.829 -13.511 994 3HG2 VAL 55 1HG2 VAL 55 -1.500 5.839 -12.281 995 H LYS 56 H LYS 56 -5.176 3.411 -15.187 996 HA LYS 56 HA LYS 56 -4.442 3.840 -18.009 997 1HB LYS 56 2HB LYS 56 -3.443 1.697 -17.674 998 2HB LYS 56 1HB LYS 56 -4.828 1.117 -16.755 999 1HG LYS 56 2HG LYS 56 -5.177 0.149 -18.868 1000 2HG LYS 56 1HG LYS 56 -6.166 1.604 -18.961 1001 1HD LYS 56 2HD LYS 56 -3.961 2.706 -19.878 1002 2HD LYS 56 1HD LYS 56 -3.507 1.042 -20.240 1003 1HE LYS 56 2HE LYS 56 -5.683 0.776 -21.461 1004 2HE LYS 56 1HE LYS 56 -5.984 2.494 -21.210 1005 1HZ LYS 56 3HZ LYS 56 -3.775 2.878 -22.307 1006 2HZ LYS 56 2HZ LYS 56 -3.791 1.240 -22.758 1007 3HZ LYS 56 1HZ LYS 56 -5.000 2.292 -23.323 1008 HA PRO 57 HA PRO 57 -8.832 4.551 -17.808 1009 1HB PRO 57 2HB PRO 57 -9.082 5.402 -20.410 1010 2HB PRO 57 1HB PRO 57 -8.455 6.422 -19.102 1011 1HG PRO 57 2HG PRO 57 -6.972 5.091 -21.319 1012 2HG PRO 57 1HG PRO 57 -6.551 6.548 -20.403 1013 1HD PRO 57 2HD PRO 57 -5.451 3.965 -20.018 1014 2HD PRO 57 1HD PRO 57 -5.280 5.352 -18.920 1015 H PHE 58 H PHE 58 -10.369 2.964 -18.010 1016 HA PHE 58 HA PHE 58 -9.953 0.838 -20.023 1017 1HB PHE 58 2HB PHE 58 -10.925 -0.534 -18.506 1018 2HB PHE 58 1HB PHE 58 -10.842 0.811 -17.377 1019 HD1 PHE 58 HD2 PHE 58 -12.826 2.566 -17.582 1020 HD2 PHE 58 HD1 PHE 58 -12.998 -1.499 -18.957 1021 HE1 PHE 58 HE2 PHE 58 -15.306 2.642 -17.500 1022 HE2 PHE 58 HE1 PHE 58 -15.475 -1.423 -18.875 1023 HZ PHE 58 HZ PHE 58 -16.629 0.649 -18.147 1024 HA PRO 59 HA PRO 59 -11.470 -0.794 -20.483 1025 1HB PRO 59 2HB PRO 59 -12.127 -1.728 -22.982 1026 2HB PRO 59 1HB PRO 59 -13.279 -1.642 -21.639 1027 1HG PRO 59 2HG PRO 59 -13.076 0.099 -24.051 1028 2HG PRO 59 1HG PRO 59 -14.487 -0.261 -23.042 1029 1HD PRO 59 2HD PRO 59 -12.928 2.109 -22.951 1030 2HD PRO 59 1HD PRO 59 -14.149 1.609 -21.760 1031 H SER 60 H SER 60 -9.274 -1.108 -20.690 1032 HA SER 60 HA SER 60 -7.604 0.363 -22.458 1033 1HB SER 60 2HB SER 60 -5.860 -1.307 -21.873 1034 2HB SER 60 1HB SER 60 -6.731 -0.746 -20.449 1035 HG SER 60 HG SER 60 -8.150 -2.697 -21.100 1036 H ASN 61 H ASN 61 -6.079 -0.976 -24.064 1037 HA ASN 61 HA ASN 61 -7.923 -2.504 -25.857 1038 1HB ASN 61 2HB ASN 61 -6.530 -1.747 -27.718 1039 2HB ASN 61 1HB ASN 61 -7.053 -0.351 -26.774 1040 1HD2 ASN 61 2HD2 ASN 61 -3.687 0.650 -26.509 1041 2HD2 ASN 61 1HD2 ASN 61 -5.281 1.069 -26.916 1042 H LYS 62 H LYS 62 -7.067 -4.402 -26.892 1043 HA LYS 62 HA LYS 62 -4.671 -5.523 -25.493 1044 1HB LYS 62 2HB LYS 62 -7.318 -6.588 -26.000 1045 2HB LYS 62 1HB LYS 62 -6.086 -7.623 -26.724 1046 1HG LYS 62 2HG LYS 62 -4.942 -7.064 -24.306 1047 2HG LYS 62 1HG LYS 62 -6.654 -7.085 -23.877 1048 1HD LYS 62 2HD LYS 62 -6.015 -9.339 -23.642 1049 2HD LYS 62 1HD LYS 62 -6.745 -9.290 -25.247 1050 1HE LYS 62 2HE LYS 62 -4.476 -8.986 -26.233 1051 2HE LYS 62 1HE LYS 62 -3.783 -9.155 -24.620 1052 1HZ LYS 62 3HZ LYS 62 -5.632 -11.234 -25.490 1053 2HZ LYS 62 2HZ LYS 62 -4.109 -11.201 -26.246 1054 3HZ LYS 62 1HZ LYS 62 -4.220 -11.357 -24.558 1055 H LYS 63 H LYS 63 -3.836 -4.038 -27.485 1056 HA LYS 63 HA LYS 63 -3.526 -5.878 -29.826 1057 1HB LYS 63 2HB LYS 63 -3.243 -3.934 -31.229 1058 2HB LYS 63 1HB LYS 63 -4.704 -3.689 -30.272 1059 1HG LYS 63 2HG LYS 63 -3.445 -2.317 -28.668 1060 2HG LYS 63 1HG LYS 63 -1.965 -2.581 -29.590 1061 1HD LYS 63 2HD LYS 63 -4.072 -1.641 -31.335 1062 2HD LYS 63 1HD LYS 63 -3.857 -0.531 -29.980 1063 1HE LYS 63 2HE LYS 63 -1.620 -0.098 -30.519 1064 2HE LYS 63 1HE LYS 63 -1.455 -1.586 -31.451 1065 1HZ LYS 63 1HZ LYS 63 -3.280 -0.479 -32.910 1066 2HZ LYS 63 3HZ LYS 63 -2.707 0.957 -32.214 1067 3HZ LYS 63 2HZ LYS 63 -1.652 -0.035 -33.103 1068 H THR 64 H THR 64 -1.924 -5.739 -27.302 1069 HA THR 64 HA THR 64 0.701 -4.975 -28.518 1070 HB THR 64 HB THR 64 0.753 -5.284 -25.626 1071 HG1 THR 64 HG1 THR 64 -0.987 -4.242 -25.165 1072 1HG2 THR 64 2HG2 THR 64 2.395 -4.114 -27.182 1073 2HG2 THR 64 1HG2 THR 64 1.211 -2.815 -27.310 1074 3HG2 THR 64 3HG2 THR 64 1.929 -3.205 -25.746 1075 H THR 65 H THR 65 1.924 -6.725 -29.003 1076 HA THR 65 HA THR 65 1.568 -9.181 -27.330 1077 HB THR 65 HB THR 65 2.357 -9.095 -30.255 1078 HG1 THR 65 HG1 THR 65 0.316 -9.083 -30.690 1079 1HG2 THR 65 1HG2 THR 65 1.735 -11.277 -28.269 1080 2HG2 THR 65 3HG2 THR 65 1.610 -11.550 -30.006 1081 3HG2 THR 65 2HG2 THR 65 3.159 -11.102 -29.293 1082 H ALA 66 HN ALA 66 3.465 -7.014 -26.863 1083 HA ALA 66 HA ALA 66 5.726 -6.856 -26.239 1084 1HB ALA 66 1HB ALA 66 5.235 -9.410 -25.784 1085 2HB ALA 66 3HB ALA 66 6.229 -9.647 -27.221 1086 3HB ALA 66 2HB ALA 66 6.897 -8.824 -25.813 Start of MODEL 14 Raw file had 1086 H/Q atoms Start of MODEL 14 1 1H MET 1 3H MET 1 -22.017 20.956 -8.988 2 2H MET 1 2H MET 1 -22.855 21.841 -10.171 3 3H MET 1 1H MET 1 -23.709 21.051 -8.932 4 HA MET 1 HA MET 1 -23.856 19.211 -10.127 5 1HB MET 1 2HB MET 1 -22.352 20.946 -12.096 6 2HB MET 1 1HB MET 1 -22.909 19.323 -12.506 7 1HG MET 1 2HG MET 1 -25.038 20.028 -12.764 8 2HG MET 1 1HG MET 1 -25.008 20.885 -11.223 9 1HE MET 1 2HE MET 1 -24.562 20.584 -14.687 10 2HE MET 1 1HE MET 1 -25.593 21.962 -15.062 11 3HE MET 1 3HE MET 1 -23.851 22.045 -15.367 12 H GLU 2 H GLU 2 -22.750 17.236 -10.503 13 HA GLU 2 HA GLU 2 -20.068 16.773 -11.009 14 1HB GLU 2 2HB GLU 2 -19.264 16.370 -8.565 15 2HB GLU 2 1HB GLU 2 -19.261 18.022 -9.185 16 1HG GLU 2 2HG GLU 2 -21.051 18.666 -7.882 17 2HG GLU 2 1HG GLU 2 -21.760 17.052 -7.874 18 H GLN 3 H GLN 3 -21.243 14.940 -11.865 19 HA GLN 3 HA GLN 3 -22.514 13.081 -9.976 20 1HB GLN 3 2HB GLN 3 -23.086 13.593 -12.527 21 2HB GLN 3 1HB GLN 3 -21.899 12.318 -12.802 22 1HG GLN 3 2HG GLN 3 -23.177 10.704 -11.686 23 2HG GLN 3 1HG GLN 3 -24.092 11.912 -10.785 24 1HE2 GLN 3 1HE2 GLN 3 -24.015 10.041 -13.718 25 2HE2 GLN 3 2HE2 GLN 3 -25.411 10.701 -14.421 26 NH1 ARG 4 NH2 ARG 4 -15.345 15.675 -9.215 27 NH2 ARG 4 NH1 ARG 4 -15.017 15.500 -11.446 28 H ARG 4 H ARG 4 -20.615 12.603 -8.663 29 HA ARG 4 HA ARG 4 -18.526 10.991 -10.057 30 1HB ARG 4 2HB ARG 4 -18.434 11.966 -7.196 31 2HB ARG 4 1HB ARG 4 -17.088 11.446 -8.212 32 1HG ARG 4 2HG ARG 4 -18.808 13.882 -8.757 33 2HG ARG 4 1HG ARG 4 -17.218 13.930 -7.994 34 1HD ARG 4 2HD ARG 4 -16.237 12.860 -10.006 35 2HD ARG 4 1HD ARG 4 -17.826 12.873 -10.771 36 HE ARG 4 HE ARG 4 -17.686 15.292 -10.920 37 1HH1 ARG 4 1HH2 ARG 4 -15.923 15.536 -8.411 38 2HH1 ARG 4 2HH2 ARG 4 -14.440 16.088 -9.115 39 1HH2 ARG 4 2HH1 ARG 4 -15.344 15.225 -12.350 40 2HH2 ARG 4 1HH1 ARG 4 -14.111 15.911 -11.345 41 H ILE 5 H ILE 5 -18.813 8.820 -9.941 42 HA ILE 5 HA ILE 5 -19.814 7.656 -7.400 43 HB ILE 5 HB ILE 5 -20.960 6.262 -9.689 44 1HG1 ILE 5 2HG1 ILE 5 -20.957 8.687 -10.518 45 2HG1 ILE 5 1HG1 ILE 5 -22.534 7.901 -10.444 46 1HG2 ILE 5 1HG2 ILE 5 -22.057 7.552 -7.178 47 2HG2 ILE 5 3HG2 ILE 5 -23.033 6.594 -8.291 48 3HG2 ILE 5 2HG2 ILE 5 -21.689 5.846 -7.428 49 1HD1 ILE 5 3HD1 ILE 5 -21.956 9.102 -7.894 50 2HD1 ILE 5 2HD1 ILE 5 -21.744 10.305 -9.166 51 3HD1 ILE 5 1HD1 ILE 5 -23.280 9.456 -9.002 52 H THR 6 H THR 6 -19.112 5.467 -7.109 53 HA THR 6 HA THR 6 -16.667 4.822 -8.550 54 HB THR 6 HB THR 6 -18.103 2.865 -6.777 55 HG1 THR 6 HG1 THR 6 -16.662 4.200 -5.180 56 1HG2 THR 6 3HG2 THR 6 -15.420 3.312 -7.839 57 2HG2 THR 6 2HG2 THR 6 -15.419 3.073 -6.092 58 3HG2 THR 6 1HG2 THR 6 -16.121 1.849 -7.149 59 H LEU 7 H LEU 7 -16.364 2.881 -9.833 60 HA LEU 7 HA LEU 7 -18.348 2.427 -11.795 61 1HB LEU 7 2HB LEU 7 -16.039 1.868 -12.245 62 2HB LEU 7 1HB LEU 7 -16.010 0.710 -10.916 63 HG LEU 7 HG LEU 7 -17.785 -0.608 -12.098 64 1HD1 LEU 7 2HD1 LEU 7 -17.922 1.753 -13.668 65 2HD1 LEU 7 1HD1 LEU 7 -17.322 0.476 -14.726 66 3HD1 LEU 7 3HD1 LEU 7 -18.853 0.271 -13.875 67 1HD2 LEU 7 1HD2 LEU 7 -15.135 -0.057 -13.448 68 2HD2 LEU 7 3HD2 LEU 7 -15.550 -1.388 -12.368 69 3HD2 LEU 7 2HD2 LEU 7 -16.219 -1.335 -14.000 70 H LYS 8 H LYS 8 -18.180 1.251 -8.576 71 HA LYS 8 HA LYS 8 -19.816 -1.133 -9.155 72 1HB LYS 8 2HB LYS 8 -19.459 -1.753 -6.907 73 2HB LYS 8 1HB LYS 8 -17.950 -0.965 -7.366 74 1HG LYS 8 2HG LYS 8 -19.146 1.205 -6.474 75 2HG LYS 8 1HG LYS 8 -20.156 0.055 -5.598 76 1HD LYS 8 2HD LYS 8 -17.405 -0.741 -5.351 77 2HD LYS 8 1HD LYS 8 -17.557 0.957 -4.899 78 1HE LYS 8 2HE LYS 8 -19.768 -0.157 -3.693 79 2HE LYS 8 1HE LYS 8 -18.566 -1.439 -3.527 80 1HZ LYS 8 3HZ LYS 8 -17.576 1.215 -2.974 81 2HZ LYS 8 2HZ LYS 8 -18.772 0.680 -1.892 82 3HZ LYS 8 1HZ LYS 8 -17.353 -0.228 -2.112 83 H ASP 9 H ASP 9 -20.199 2.085 -7.743 84 HA ASP 9 HA ASP 9 -22.938 1.560 -6.875 85 1HB ASP 9 2HB ASP 9 -21.102 3.916 -6.899 86 2HB ASP 9 1HB ASP 9 -22.835 4.222 -6.788 87 OH TYR 10 OH TYR 10 -24.245 4.724 -17.141 88 H TYR 10 H TYR 10 -21.391 2.897 -9.732 89 HA TYR 10 HA TYR 10 -23.893 3.952 -10.816 90 1HB TYR 10 2HB TYR 10 -21.874 5.063 -11.495 91 2HB TYR 10 1HB TYR 10 -21.134 3.542 -11.991 92 HD1 TYR 10 HD2 TYR 10 -24.407 5.286 -12.622 93 HD2 TYR 10 HD1 TYR 10 -21.002 3.268 -14.291 94 HE1 TYR 10 HE2 TYR 10 -25.356 5.563 -14.896 95 HE2 TYR 10 HE1 TYR 10 -21.952 3.545 -16.563 96 HH TYR 10 HH TYR 10 -23.650 5.285 -17.644 97 H ALA 11 H ALA 11 -21.938 1.038 -11.185 98 HA ALA 11 HA ALA 11 -23.585 -0.006 -13.361 99 1HB ALA 11 3HB ALA 11 -21.070 -0.610 -12.248 100 2HB ALA 11 2HB ALA 11 -22.070 -2.028 -11.951 101 3HB ALA 11 1HB ALA 11 -21.856 -1.430 -13.595 102 H MET 12 H MET 12 -23.627 -0.109 -9.876 103 HA MET 12 HA MET 12 -25.488 -2.399 -9.834 104 1HB MET 12 2HB MET 12 -24.273 -0.667 -7.675 105 2HB MET 12 1HB MET 12 -25.485 -1.903 -7.333 106 1HG MET 12 2HG MET 12 -23.289 -2.849 -9.045 107 2HG MET 12 1HG MET 12 -22.768 -2.350 -7.436 108 1HE MET 12 3HE MET 12 -22.273 -3.873 -6.059 109 2HE MET 12 2HE MET 12 -23.031 -5.414 -5.673 110 3HE MET 12 1HE MET 12 -22.113 -5.243 -7.166 111 NH1 ARG 13 NH1 ARG 13 -29.124 0.342 -4.218 112 NH2 ARG 13 NH2 ARG 13 -30.062 2.375 -3.906 113 H ARG 13 H ARG 13 -25.562 1.105 -9.361 114 HA ARG 13 HA ARG 13 -28.438 1.000 -8.698 115 1HB ARG 13 2HB ARG 13 -26.486 3.303 -8.948 116 2HB ARG 13 1HB ARG 13 -28.187 3.494 -8.521 117 1HG ARG 13 2HG ARG 13 -26.895 1.427 -6.919 118 2HG ARG 13 1HG ARG 13 -26.095 2.990 -6.744 119 1HD ARG 13 2HD ARG 13 -27.744 3.310 -5.181 120 2HD ARG 13 1HD ARG 13 -28.664 3.801 -6.603 121 HE ARG 13 HE ARG 13 -29.493 1.380 -6.650 122 1HH1 ARG 13 2HH1 ARG 13 -28.640 -0.307 -4.805 123 2HH1 ARG 13 1HH1 ARG 13 -29.372 0.084 -3.284 124 1HH2 ARG 13 1HH2 ARG 13 -30.298 3.281 -4.253 125 2HH2 ARG 13 2HH2 ARG 13 -30.310 2.116 -2.972 126 H PHE 14 H PHE 14 -26.422 1.508 -11.478 127 HA PHE 14 HA PHE 14 -28.835 2.439 -12.984 128 1HB PHE 14 2HB PHE 14 -25.938 2.855 -13.769 129 2HB PHE 14 1HB PHE 14 -27.360 3.564 -14.532 130 HD1 PHE 14 HD1 PHE 14 -25.774 3.291 -11.137 131 HD2 PHE 14 HD2 PHE 14 -27.985 5.717 -13.907 132 HE1 PHE 14 HE1 PHE 14 -25.691 5.190 -9.543 133 HE2 PHE 14 HE2 PHE 14 -27.905 7.614 -12.313 134 HZ PHE 14 HZ PHE 14 -26.757 7.351 -10.130 135 H GLY 15 H GLY 15 -26.819 -0.184 -12.469 136 1HA GLY 15 2HA GLY 15 -27.232 -2.298 -13.597 137 2HA GLY 15 1HA GLY 15 -27.720 -1.397 -15.033 138 H GLN 16 H GLN 16 -25.450 -3.448 -14.238 139 HA GLN 16 HA GLN 16 -23.020 -1.990 -14.919 140 1HB GLN 16 2HB GLN 16 -23.498 -4.984 -14.920 141 2HB GLN 16 1HB GLN 16 -21.936 -4.168 -14.874 142 1HG GLN 16 2HG GLN 16 -22.089 -3.747 -12.651 143 2HG GLN 16 1HG GLN 16 -23.794 -3.310 -12.759 144 1HE2 GLN 16 2HE2 GLN 16 -24.936 -6.682 -12.218 145 2HE2 GLN 16 1HE2 GLN 16 -25.350 -5.232 -12.995 146 H THR 17 H THR 17 -25.394 -3.933 -16.646 147 HA THR 17 HA THR 17 -23.931 -4.344 -19.051 148 HB THR 17 HB THR 17 -25.939 -5.560 -18.890 149 HG1 THR 17 HG1 THR 17 -25.578 -4.103 -20.888 150 1HG2 THR 17 1HG2 THR 17 -27.095 -2.930 -18.006 151 2HG2 THR 17 3HG2 THR 17 -28.154 -4.196 -18.630 152 3HG2 THR 17 2HG2 THR 17 -27.163 -4.499 -17.201 153 H LYS 18 H LYS 18 -25.741 -1.550 -17.869 154 HA LYS 18 HA LYS 18 -25.459 -0.145 -20.434 155 1HB LYS 18 2HB LYS 18 -26.631 1.680 -19.353 156 2HB LYS 18 1HB LYS 18 -27.445 0.175 -18.929 157 1HG LYS 18 2HG LYS 18 -26.946 0.397 -16.733 158 2HG LYS 18 1HG LYS 18 -25.285 0.878 -17.072 159 1HD LYS 18 2HD LYS 18 -26.304 2.785 -16.066 160 2HD LYS 18 1HD LYS 18 -26.238 3.140 -17.793 161 1HE LYS 18 2HE LYS 18 -28.667 1.698 -17.140 162 2HE LYS 18 1HE LYS 18 -28.527 3.159 -16.163 163 1HZ LYS 18 1HZ LYS 18 -28.158 3.097 -19.106 164 2HZ LYS 18 3HZ LYS 18 -29.624 3.488 -18.348 165 3HZ LYS 18 2HZ LYS 18 -28.259 4.472 -18.111 166 H THR 19 H THR 19 -23.729 -0.410 -17.417 167 HA THR 19 HA THR 19 -22.226 2.054 -17.700 168 HB THR 19 HB THR 19 -21.536 -0.476 -16.169 169 HG1 THR 19 HG1 THR 19 -22.238 1.271 -14.492 170 1HG2 THR 19 2HG2 THR 19 -20.254 2.191 -16.460 171 2HG2 THR 19 1HG2 THR 19 -20.336 1.531 -14.826 172 3HG2 THR 19 3HG2 THR 19 -19.525 0.625 -16.104 173 H ALA 20 H ALA 20 -21.817 -1.276 -18.783 174 HA ALA 20 HA ALA 20 -19.121 -0.790 -19.821 175 1HB ALA 20 1HB ALA 20 -20.997 -3.081 -19.652 176 2HB ALA 20 3HB ALA 20 -19.920 -3.081 -21.050 177 3HB ALA 20 2HB ALA 20 -19.249 -3.039 -19.419 178 H LYS 21 H LYS 21 -22.418 -0.655 -20.990 179 HA LYS 21 HA LYS 21 -21.718 -0.601 -23.809 180 1HB LYS 21 2HB LYS 21 -24.046 -1.017 -22.524 181 2HB LYS 21 1HB LYS 21 -24.219 0.707 -22.848 182 1HG LYS 21 2HG LYS 21 -23.603 0.197 -25.265 183 2HG LYS 21 1HG LYS 21 -23.781 -1.511 -24.859 184 1HD LYS 21 2HD LYS 21 -25.922 -0.991 -25.635 185 2HD LYS 21 1HD LYS 21 -26.106 -0.754 -23.895 186 1HE LYS 21 2HE LYS 21 -27.040 1.207 -24.807 187 2HE LYS 21 1HE LYS 21 -25.402 1.700 -24.379 188 1HZ LYS 21 1HZ LYS 21 -25.465 0.567 -26.975 189 2HZ LYS 21 3HZ LYS 21 -26.582 1.838 -26.867 190 3HZ LYS 21 2HZ LYS 21 -24.948 2.113 -26.492 191 H ASP 22 H ASP 22 -22.037 1.768 -21.242 192 HA ASP 22 HA ASP 22 -21.938 4.051 -23.071 193 1HB ASP 22 2HB ASP 22 -22.394 3.611 -20.237 194 2HB ASP 22 1HB ASP 22 -21.242 4.923 -20.495 195 H LEU 23 H LEU 23 -19.688 2.280 -20.997 196 HA LEU 23 HA LEU 23 -17.474 4.106 -21.631 197 1HB LEU 23 2HB LEU 23 -17.695 1.529 -20.066 198 2HB LEU 23 1HB LEU 23 -16.136 2.282 -20.404 199 HG LEU 23 HG LEU 23 -18.047 4.242 -19.440 200 1HD1 LEU 23 1HD1 LEU 23 -18.151 1.647 -18.187 201 2HD1 LEU 23 3HD1 LEU 23 -17.471 2.820 -17.059 202 3HD1 LEU 23 2HD1 LEU 23 -19.056 3.105 -17.780 203 1HD2 LEU 23 1HD2 LEU 23 -15.270 3.313 -18.943 204 2HD2 LEU 23 3HD2 LEU 23 -15.890 4.953 -19.139 205 3HD2 LEU 23 2HD2 LEU 23 -16.061 4.124 -17.592 206 H GLY 24 H GLY 24 -18.987 1.475 -23.133 207 1HA GLY 24 2HA GLY 24 -18.399 0.644 -25.302 208 2HA GLY 24 1HA GLY 24 -16.773 1.292 -25.083 209 H VAL 25 H VAL 25 -16.532 0.110 -22.381 210 HA VAL 25 HA VAL 25 -15.257 -2.327 -23.027 211 HB VAL 25 HB VAL 25 -15.679 -2.791 -20.479 212 1HG1 VAL 25 2HG1 VAL 25 -13.986 -0.820 -21.885 213 2HG1 VAL 25 1HG1 VAL 25 -14.128 -0.563 -20.146 214 3HG1 VAL 25 3HG1 VAL 25 -13.527 -2.103 -20.764 215 1HG2 VAL 25 1HG2 VAL 25 -17.476 -0.716 -20.849 216 2HG2 VAL 25 3HG2 VAL 25 -16.840 -1.245 -19.292 217 3HG2 VAL 25 2HG2 VAL 25 -16.080 0.099 -20.144 218 OH TYR 26 OH TYR 26 -12.776 -5.426 -25.553 219 H TYR 26 H TYR 26 -16.161 -4.358 -21.470 220 HA TYR 26 HA TYR 26 -18.890 -4.898 -22.577 221 1HB TYR 26 2HB TYR 26 -17.257 -7.222 -21.773 222 2HB TYR 26 1HB TYR 26 -18.232 -6.982 -23.220 223 HD1 TYR 26 HD2 TYR 26 -17.307 -5.454 -25.063 224 HD2 TYR 26 HD1 TYR 26 -14.912 -6.962 -21.832 225 HE1 TYR 26 HE2 TYR 26 -15.250 -4.972 -26.362 226 HE2 TYR 26 HE1 TYR 26 -12.856 -6.480 -23.130 227 HH TYR 26 HH TYR 26 -12.923 -5.709 -26.460 228 H GLN 27 H GLN 27 -19.961 -6.759 -21.226 229 HA GLN 27 HA GLN 27 -20.288 -5.760 -18.536 230 1HB GLN 27 2HB GLN 27 -21.356 -8.079 -20.104 231 2HB GLN 27 1HB GLN 27 -21.537 -8.093 -18.350 232 1HG GLN 27 2HG GLN 27 -22.257 -5.505 -19.033 233 2HG GLN 27 1HG GLN 27 -22.930 -6.471 -20.347 234 1HE2 GLN 27 2HE2 GLN 27 -25.533 -7.748 -18.357 235 2HE2 GLN 27 1HE2 GLN 27 -24.888 -7.515 -19.910 236 H SER 28 H SER 28 -18.434 -8.377 -19.982 237 HA SER 28 HA SER 28 -17.764 -9.666 -17.476 238 1HB SER 28 2HB SER 28 -15.979 -9.810 -19.883 239 2HB SER 28 1HB SER 28 -16.417 -11.081 -18.745 240 HG SER 28 HG SER 28 -18.341 -11.311 -19.731 241 H ALA 29 H ALA 29 -16.755 -6.767 -18.963 242 HA ALA 29 HA ALA 29 -14.102 -6.774 -17.659 243 1HB ALA 29 1HB ALA 29 -15.442 -5.213 -19.760 244 2HB ALA 29 3HB ALA 29 -14.523 -4.217 -18.630 245 3HB ALA 29 2HB ALA 29 -13.722 -5.517 -19.513 246 H ILE 30 H ILE 30 -17.305 -5.409 -17.311 247 HA ILE 30 HA ILE 30 -16.529 -3.606 -15.148 248 HB ILE 30 HB ILE 30 -19.297 -4.564 -15.933 249 1HG1 ILE 30 2HG1 ILE 30 -17.922 -3.543 -17.816 250 2HG1 ILE 30 1HG1 ILE 30 -19.413 -2.684 -17.431 251 1HG2 ILE 30 2HG2 ILE 30 -18.171 -2.436 -14.163 252 2HG2 ILE 30 1HG2 ILE 30 -19.660 -2.087 -15.042 253 3HG2 ILE 30 3HG2 ILE 30 -19.592 -3.453 -13.929 254 1HD1 ILE 30 2HD1 ILE 30 -18.049 -1.179 -15.923 255 2HD1 ILE 30 1HD1 ILE 30 -16.603 -1.947 -16.576 256 3HD1 ILE 30 3HD1 ILE 30 -17.671 -1.032 -17.638 257 H ASN 31 H ASN 31 -17.691 -6.886 -15.508 258 HA ASN 31 HA ASN 31 -18.363 -7.203 -12.682 259 1HB ASN 31 2HB ASN 31 -19.432 -8.558 -14.503 260 2HB ASN 31 1HB ASN 31 -17.877 -9.345 -14.775 261 1HD2 ASN 31 2HD2 ASN 31 -18.839 -11.746 -12.367 262 2HD2 ASN 31 1HD2 ASN 31 -18.374 -11.449 -13.973 263 H LYS 32 H LYS 32 -15.640 -8.119 -14.807 264 HA LYS 32 HA LYS 32 -14.165 -9.425 -12.689 265 1HB LYS 32 2HB LYS 32 -12.311 -9.456 -14.241 266 2HB LYS 32 1HB LYS 32 -13.783 -9.805 -15.149 267 1HG LYS 32 2HG LYS 32 -13.905 -7.295 -15.623 268 2HG LYS 32 1HG LYS 32 -12.247 -7.212 -15.024 269 1HD LYS 32 2HD LYS 32 -13.221 -8.940 -17.319 270 2HD LYS 32 1HD LYS 32 -12.248 -7.475 -17.468 271 1HE LYS 32 2HE LYS 32 -11.008 -9.268 -15.583 272 2HE LYS 32 1HE LYS 32 -11.316 -10.122 -17.094 273 1HZ LYS 32 2HZ LYS 32 -10.261 -7.433 -17.357 274 2HZ LYS 32 1HZ LYS 32 -9.195 -8.569 -16.681 275 3HZ LYS 32 3HZ LYS 32 -9.865 -8.847 -18.213 276 H ALA 33 H ALA 33 -14.522 -6.123 -13.761 277 HA ALA 33 HA ALA 33 -12.156 -5.105 -12.433 278 1HB ALA 33 3HB ALA 33 -14.494 -3.991 -13.846 279 2HB ALA 33 2HB ALA 33 -13.871 -2.967 -12.551 280 3HB ALA 33 1HB ALA 33 -12.811 -3.464 -13.871 281 H ILE 34 H ILE 34 -15.585 -5.383 -11.571 282 HA ILE 34 HA ILE 34 -15.236 -4.158 -8.958 283 HB ILE 34 HB ILE 34 -17.438 -5.857 -10.162 284 1HG1 ILE 34 2HG1 ILE 34 -17.132 -2.903 -9.543 285 2HG1 ILE 34 1HG1 ILE 34 -17.267 -3.645 -11.137 286 1HG2 ILE 34 1HG2 ILE 34 -17.214 -4.555 -7.438 287 2HG2 ILE 34 3HG2 ILE 34 -18.757 -5.023 -8.153 288 3HG2 ILE 34 2HG2 ILE 34 -17.542 -6.251 -7.798 289 1HD1 ILE 34 3HD1 ILE 34 -19.531 -4.568 -10.320 290 2HD1 ILE 34 2HD1 ILE 34 -19.392 -3.398 -9.007 291 3HD1 ILE 34 1HD1 ILE 34 -19.449 -2.844 -10.681 292 H HIS 35 H HIS 35 -14.929 -7.360 -10.295 293 HA HIS 35 HA HIS 35 -15.050 -8.805 -7.796 294 1HB HIS 35 2HB HIS 35 -14.071 -9.411 -10.574 295 2HB HIS 35 1HB HIS 35 -13.693 -10.520 -9.254 296 HD1 HIS 35 HD1 HIS 35 -15.372 -12.090 -10.812 297 HD2 HIS 35 HD2 HIS 35 -17.126 -8.999 -8.633 298 HE1 HIS 35 HE1 HIS 35 -17.845 -12.628 -10.667 299 H ALA 36 H ALA 36 -12.653 -6.843 -9.311 300 HA ALA 36 HA ALA 36 -10.427 -8.046 -7.792 301 1HB ALA 36 2HB ALA 36 -10.576 -5.637 -9.630 302 2HB ALA 36 1HB ALA 36 -9.096 -6.202 -8.856 303 3HB ALA 36 3HB ALA 36 -9.923 -7.227 -10.027 304 H GLY 37 H GLY 37 -12.806 -5.612 -7.384 305 1HA GLY 37 2HA GLY 37 -13.136 -4.009 -5.706 306 2HA GLY 37 1HA GLY 37 -12.141 -5.060 -4.699 307 NH1 ARG 38 NH1 ARG 38 -8.240 -4.298 -12.660 308 NH2 ARG 38 NH2 ARG 38 -6.151 -3.691 -12.047 309 H ARG 38 H ARG 38 -10.876 -3.660 -7.656 310 HA ARG 38 HA ARG 38 -8.730 -2.392 -6.134 311 1HB ARG 38 2HB ARG 38 -7.763 -1.860 -8.260 312 2HB ARG 38 1HB ARG 38 -8.474 -3.466 -8.427 313 1HG ARG 38 2HG ARG 38 -10.603 -1.950 -9.128 314 2HG ARG 38 1HG ARG 38 -9.294 -0.897 -9.664 315 1HD ARG 38 2HD ARG 38 -9.544 -3.829 -10.392 316 2HD ARG 38 1HD ARG 38 -10.027 -2.495 -11.439 317 HE ARG 38 HE ARG 38 -7.396 -1.909 -10.827 318 1HH1 ARG 38 2HH1 ARG 38 -9.232 -4.190 -12.583 319 2HH1 ARG 38 1HH1 ARG 38 -7.858 -4.979 -13.286 320 1HH2 ARG 38 1HH2 ARG 38 -5.540 -3.119 -11.500 321 2HH2 ARG 38 2HH2 ARG 38 -5.771 -4.372 -12.673 322 H LYS 39 H LYS 39 -8.298 -0.015 -7.539 323 HA LYS 39 HA LYS 39 -10.522 1.638 -6.459 324 1HB LYS 39 2HB LYS 39 -7.636 2.168 -7.126 325 2HB LYS 39 1HB LYS 39 -8.775 3.504 -6.960 326 1HG LYS 39 2HG LYS 39 -9.030 3.190 -4.702 327 2HG LYS 39 1HG LYS 39 -8.825 1.441 -4.817 328 1HD LYS 39 2HD LYS 39 -6.352 2.386 -5.605 329 2HD LYS 39 1HD LYS 39 -6.815 3.528 -4.343 330 1HE LYS 39 2HE LYS 39 -7.404 0.726 -3.674 331 2HE LYS 39 1HE LYS 39 -5.686 1.057 -3.890 332 1HZ LYS 39 3HZ LYS 39 -6.915 3.140 -2.423 333 2HZ LYS 39 2HZ LYS 39 -7.238 1.645 -1.683 334 3HZ LYS 39 1HZ LYS 39 -5.634 2.125 -1.968 335 H ILE 40 H ILE 40 -11.952 1.214 -8.258 336 HA ILE 40 HA ILE 40 -11.142 2.616 -10.774 337 HB ILE 40 HB ILE 40 -13.534 0.804 -10.631 338 1HG1 ILE 40 2HG1 ILE 40 -10.635 -0.068 -10.763 339 2HG1 ILE 40 1HG1 ILE 40 -11.859 -0.587 -9.603 340 1HG2 ILE 40 2HG2 ILE 40 -12.883 2.208 -12.647 341 2HG2 ILE 40 1HG2 ILE 40 -11.448 1.192 -12.790 342 3HG2 ILE 40 3HG2 ILE 40 -13.053 0.481 -12.960 343 1HD1 ILE 40 1HD1 ILE 40 -13.060 -1.195 -12.002 344 2HD1 ILE 40 3HD1 ILE 40 -11.362 -1.528 -12.348 345 3HD1 ILE 40 2HD1 ILE 40 -12.164 -2.345 -11.007 346 H PHE 41 H PHE 41 -11.810 4.707 -10.305 347 HA PHE 41 HA PHE 41 -14.478 5.117 -9.101 348 1HB PHE 41 2HB PHE 41 -12.621 7.315 -9.998 349 2HB PHE 41 1HB PHE 41 -13.786 7.322 -8.672 350 HD1 PHE 41 HD1 PHE 41 -12.992 4.462 -7.674 351 HD2 PHE 41 HD2 PHE 41 -10.716 7.990 -8.603 352 HE1 PHE 41 HE1 PHE 41 -11.224 3.742 -6.098 353 HE2 PHE 41 HE2 PHE 41 -8.952 7.264 -7.025 354 HZ PHE 41 HZ PHE 41 -9.205 5.141 -5.772 355 H LEU 42 H LEU 42 -15.989 6.676 -10.155 356 HA LEU 42 HA LEU 42 -15.732 6.624 -13.137 357 1HB LEU 42 2HB LEU 42 -17.670 5.336 -11.509 358 2HB LEU 42 1HB LEU 42 -18.484 6.689 -12.295 359 HG LEU 42 HG LEU 42 -17.643 5.910 -14.488 360 1HD1 LEU 42 1HD1 LEU 42 -15.599 4.778 -13.465 361 2HD1 LEU 42 3HD1 LEU 42 -16.670 3.451 -13.016 362 3HD1 LEU 42 2HD1 LEU 42 -16.431 3.855 -14.716 363 1HD2 LEU 42 3HD2 LEU 42 -19.677 4.818 -12.959 364 2HD2 LEU 42 2HD2 LEU 42 -19.438 4.535 -14.683 365 3HD2 LEU 42 1HD2 LEU 42 -18.792 3.394 -13.504 366 H THR 43 H THR 43 -16.048 8.598 -14.105 367 HA THR 43 HA THR 43 -17.225 10.775 -12.420 368 HB THR 43 HB THR 43 -14.831 10.807 -14.265 369 HG1 THR 43 HG1 THR 43 -15.154 11.932 -11.699 370 1HG2 THR 43 2HG2 THR 43 -16.790 12.928 -13.750 371 2HG2 THR 43 1HG2 THR 43 -15.137 13.396 -13.353 372 3HG2 THR 43 3HG2 THR 43 -15.529 12.837 -14.979 373 H ILE 44 H ILE 44 -19.279 10.839 -13.346 374 HA ILE 44 HA ILE 44 -19.426 10.998 -16.320 375 HB ILE 44 HB ILE 44 -21.925 10.915 -14.712 376 1HG1 ILE 44 2HG1 ILE 44 -21.438 8.264 -14.807 377 2HG1 ILE 44 1HG1 ILE 44 -19.788 8.841 -14.563 378 1HG2 ILE 44 2HG2 ILE 44 -20.922 10.206 -17.358 379 2HG2 ILE 44 1HG2 ILE 44 -21.867 8.900 -16.643 380 3HG2 ILE 44 3HG2 ILE 44 -22.581 10.502 -16.835 381 1HD1 ILE 44 2HD1 ILE 44 -21.652 10.248 -12.834 382 2HD1 ILE 44 1HD1 ILE 44 -21.745 8.505 -12.585 383 3HD1 ILE 44 3HD1 ILE 44 -20.203 9.340 -12.405 384 H ASN 45 H ASN 45 -19.813 12.951 -17.248 385 HA ASN 45 HA ASN 45 -20.382 15.261 -15.503 386 1HB ASN 45 2HB ASN 45 -19.979 15.337 -18.496 387 2HB ASN 45 1HB ASN 45 -19.683 16.617 -17.320 388 1HD2 ASN 45 2HD2 ASN 45 -16.879 14.231 -16.111 389 2HD2 ASN 45 1HD2 ASN 45 -18.442 14.433 -15.481 390 H ALA 46 H ALA 46 -22.200 16.623 -15.823 391 HA ALA 46 HA ALA 46 -24.701 15.560 -16.140 392 1HB ALA 46 3HB ALA 46 -23.820 18.070 -15.747 393 2HB ALA 46 2HB ALA 46 -24.350 18.222 -17.423 394 3HB ALA 46 1HB ALA 46 -25.493 17.714 -16.179 395 H ASP 47 H ASP 47 -22.469 16.261 -18.751 396 HA ASP 47 HA ASP 47 -24.540 15.957 -20.811 397 1HB ASP 47 2HB ASP 47 -22.484 17.444 -21.034 398 2HB ASP 47 1HB ASP 47 -21.541 15.965 -21.208 399 H GLY 48 H GLY 48 -24.096 13.705 -18.943 400 1HA GLY 48 2HA GLY 48 -23.823 11.377 -19.011 401 2HA GLY 48 1HA GLY 48 -24.292 11.529 -20.705 402 H SER 49 H SER 49 -21.431 13.067 -19.344 403 HA SER 49 HA SER 49 -19.786 11.566 -21.298 404 1HB SER 49 2HB SER 49 -19.679 14.165 -20.135 405 2HB SER 49 1HB SER 49 -18.220 13.309 -19.646 406 HG SER 49 HG SER 49 -19.186 13.899 -22.228 407 H VAL 50 H VAL 50 -19.426 9.505 -20.464 408 HA VAL 50 HA VAL 50 -18.817 9.123 -17.634 409 HB VAL 50 HB VAL 50 -18.719 7.253 -20.015 410 1HG1 VAL 50 2HG1 VAL 50 -18.130 6.800 -17.083 411 2HG1 VAL 50 1HG1 VAL 50 -18.594 5.487 -18.165 412 3HG1 VAL 50 3HG1 VAL 50 -17.114 6.398 -18.467 413 1HG2 VAL 50 2HG2 VAL 50 -20.879 8.265 -18.668 414 2HG2 VAL 50 1HG2 VAL 50 -20.863 6.694 -19.470 415 3HG2 VAL 50 3HG2 VAL 50 -20.549 6.803 -17.738 416 OH TYR 51 OH TYR 51 -8.817 11.025 -16.545 417 H TYR 51 H TYR 51 -16.840 9.138 -16.722 418 HA TYR 51 HA TYR 51 -14.433 8.746 -18.415 419 1HB TYR 51 2HB TYR 51 -14.670 11.159 -18.388 420 2HB TYR 51 1HB TYR 51 -14.950 11.157 -16.647 421 HD1 TYR 51 HD1 TYR 51 -12.433 9.332 -18.746 422 HD2 TYR 51 HD2 TYR 51 -13.121 12.213 -15.634 423 HE1 TYR 51 HE1 TYR 51 -9.990 9.488 -18.349 424 HE2 TYR 51 HE2 TYR 51 -10.680 12.368 -15.237 425 HH TYR 51 HH TYR 51 -8.682 11.344 -15.649 426 H ALA 52 H ALA 52 -14.376 6.716 -17.235 427 HA ALA 52 HA ALA 52 -14.177 6.755 -14.324 428 1HB ALA 52 1HB ALA 52 -15.108 4.820 -15.621 429 2HB ALA 52 3HB ALA 52 -13.488 4.516 -16.248 430 3HB ALA 52 2HB ALA 52 -13.807 4.361 -14.521 431 H GLU 53 H GLU 53 -12.285 6.458 -13.104 432 HA GLU 53 HA GLU 53 -9.724 6.655 -14.632 433 1HB GLU 53 2HB GLU 53 -10.328 8.014 -11.990 434 2HB GLU 53 1HB GLU 53 -8.868 8.193 -12.964 435 1HG GLU 53 2HG GLU 53 -9.896 9.554 -14.508 436 2HG GLU 53 1HG GLU 53 -11.467 8.782 -14.300 437 H GLU 54 H GLU 54 -7.919 5.626 -13.608 438 HA GLU 54 HA GLU 54 -8.715 3.648 -11.509 439 1HB GLU 54 2HB GLU 54 -7.809 2.975 -13.938 440 2HB GLU 54 1HB GLU 54 -6.250 3.264 -13.161 441 1HG GLU 54 2HG GLU 54 -6.397 1.216 -12.235 442 2HG GLU 54 1HG GLU 54 -7.776 1.792 -11.298 443 H VAL 55 H VAL 55 -7.774 4.037 -9.558 444 HA VAL 55 HA VAL 55 -5.122 5.387 -9.543 445 HB VAL 55 HB VAL 55 -6.839 6.294 -7.357 446 1HG1 VAL 55 3HG1 VAL 55 -4.653 7.267 -8.031 447 2HG1 VAL 55 2HG1 VAL 55 -5.358 7.739 -9.577 448 3HG1 VAL 55 1HG1 VAL 55 -5.946 8.465 -8.082 449 1HG2 VAL 55 1HG2 VAL 55 -8.606 6.079 -9.083 450 2HG2 VAL 55 3HG2 VAL 55 -8.262 7.772 -8.729 451 3HG2 VAL 55 2HG2 VAL 55 -7.627 7.032 -10.199 452 H LYS 56 H LYS 56 -3.961 3.696 -8.728 453 HA LYS 56 HA LYS 56 -4.518 2.896 -5.953 454 1HB LYS 56 2HB LYS 56 -5.844 1.237 -7.023 455 2HB LYS 56 1HB LYS 56 -4.656 1.004 -8.302 456 1HG LYS 56 2HG LYS 56 -3.565 -0.550 -7.089 457 2HG LYS 56 1HG LYS 56 -3.448 0.542 -5.710 458 1HD LYS 56 2HD LYS 56 -4.916 -0.805 -4.653 459 2HD LYS 56 1HD LYS 56 -6.142 -0.209 -5.774 460 1HE LYS 56 2HE LYS 56 -6.312 -2.278 -6.639 461 2HE LYS 56 1HE LYS 56 -4.638 -2.158 -7.180 462 1HZ LYS 56 2HZ LYS 56 -5.430 -2.981 -4.442 463 2HZ LYS 56 1HZ LYS 56 -5.102 -4.078 -5.698 464 3HZ LYS 56 3HZ LYS 56 -3.877 -3.051 -5.129 465 HA PRO 57 HA PRO 57 -0.086 2.968 -6.222 466 1HB PRO 57 2HB PRO 57 0.386 2.192 -3.625 467 2HB PRO 57 1HB PRO 57 -0.093 3.835 -4.086 468 1HG PRO 57 2HG PRO 57 -1.726 1.692 -2.802 469 2HG PRO 57 1HG PRO 57 -1.901 3.452 -2.695 470 1HD PRO 57 2HD PRO 57 -3.475 1.738 -4.294 471 2HD PRO 57 1HD PRO 57 -3.382 3.505 -4.448 472 H PHE 58 H PHE 58 1.696 1.396 -6.151 473 HA PHE 58 HA PHE 58 0.704 -1.408 -6.313 474 1HB PHE 58 2HB PHE 58 2.046 -1.665 -8.114 475 2HB PHE 58 1HB PHE 58 2.253 0.080 -8.086 476 HD1 PHE 58 HD2 PHE 58 4.021 0.779 -6.044 477 HD2 PHE 58 HD1 PHE 58 4.028 -2.845 -8.351 478 HE1 PHE 58 HE2 PHE 58 6.435 0.478 -5.565 479 HE2 PHE 58 HE1 PHE 58 6.442 -3.145 -7.873 480 HZ PHE 58 HZ PHE 58 7.646 -1.484 -6.479 481 HA PRO 59 HA PRO 59 2.343 -3.109 -6.881 482 1HB PRO 59 2HB PRO 59 2.405 -5.581 -5.676 483 2HB PRO 59 1HB PRO 59 3.853 -4.726 -6.237 484 1HG PRO 59 2HG PRO 59 2.860 -5.111 -3.450 485 2HG PRO 59 1HG PRO 59 4.516 -4.859 -4.027 486 1HD PRO 59 2HD PRO 59 2.864 -2.897 -2.836 487 2HD PRO 59 1HD PRO 59 4.373 -2.590 -3.723 488 H SER 60 H SER 60 0.653 -5.061 -7.158 489 HA SER 60 HA SER 60 -1.926 -4.090 -6.575 490 1HB SER 60 2HB SER 60 -2.622 -6.536 -6.982 491 2HB SER 60 1HB SER 60 -1.753 -5.727 -8.283 492 HG SER 60 HG SER 60 0.062 -6.822 -7.757 493 H ASN 61 H ASN 61 -3.572 -5.493 -5.238 494 HA ASN 61 HA ASN 61 -2.316 -6.162 -2.606 495 1HB ASN 61 2HB ASN 61 -4.322 -4.168 -3.256 496 2HB ASN 61 1HB ASN 61 -4.958 -5.345 -2.106 497 1HD2 ASN 61 2HD2 ASN 61 -2.372 -2.580 -0.803 498 2HD2 ASN 61 1HD2 ASN 61 -3.134 -2.502 -2.317 499 H LYS 62 H LYS 62 -3.040 -8.055 -1.665 500 HA LYS 62 HA LYS 62 -4.198 -10.086 -1.453 501 1HB LYS 62 2HB LYS 62 -6.161 -8.257 -1.845 502 2HB LYS 62 1HB LYS 62 -6.391 -9.262 -3.277 503 1HG LYS 62 2HG LYS 62 -7.737 -10.298 -1.627 504 2HG LYS 62 1HG LYS 62 -6.264 -11.269 -1.652 505 1HD LYS 62 2HD LYS 62 -5.721 -9.194 0.154 506 2HD LYS 62 1HD LYS 62 -7.374 -9.687 0.518 507 1HE LYS 62 2HE LYS 62 -6.616 -11.546 1.535 508 2HE LYS 62 1HE LYS 62 -5.803 -12.041 0.051 509 1HZ LYS 62 3HZ LYS 62 -4.288 -9.992 1.111 510 2HZ LYS 62 2HZ LYS 62 -4.683 -10.989 2.429 511 3HZ LYS 62 1HZ LYS 62 -3.896 -11.642 1.073 512 H LYS 63 H LYS 63 -2.859 -11.454 -2.617 513 HA LYS 63 HA LYS 63 -3.646 -11.926 -5.452 514 1HB LYS 63 2HB LYS 63 -1.190 -10.776 -4.607 515 2HB LYS 63 1HB LYS 63 -0.834 -12.424 -5.124 516 1HG LYS 63 2HG LYS 63 -2.507 -10.514 -6.770 517 2HG LYS 63 1HG LYS 63 -0.760 -10.671 -6.965 518 1HD LYS 63 2HD LYS 63 -1.015 -13.070 -7.445 519 2HD LYS 63 1HD LYS 63 -2.760 -12.937 -7.226 520 1HE LYS 63 2HE LYS 63 -2.701 -12.655 -9.504 521 2HE LYS 63 1HE LYS 63 -2.415 -10.979 -9.038 522 1HZ LYS 63 1HZ LYS 63 -0.077 -12.705 -9.185 523 2HZ LYS 63 3HZ LYS 63 -0.812 -12.316 -10.663 524 3HZ LYS 63 2HZ LYS 63 -0.260 -11.077 -9.640 525 H THR 64 H THR 64 -4.483 -13.417 -3.199 526 HA THR 64 HA THR 64 -2.851 -15.912 -3.462 527 HB THR 64 HB THR 64 -3.838 -16.572 -1.284 528 HG1 THR 64 HG1 THR 64 -4.765 -13.979 -0.898 529 1HG2 THR 64 3HG2 THR 64 -1.940 -14.514 -1.777 530 2HG2 THR 64 2HG2 THR 64 -2.892 -14.019 -0.377 531 3HG2 THR 64 1HG2 THR 64 -2.049 -15.568 -0.366 532 H THR 65 H THR 65 -4.084 -17.932 -3.577 533 HA THR 65 HA THR 65 -6.893 -17.550 -4.530 534 HB THR 65 HB THR 65 -5.673 -17.924 -6.535 535 HG1 THR 65 HG1 THR 65 -6.959 -19.474 -7.057 536 1HG2 THR 65 2HG2 THR 65 -4.099 -19.831 -4.827 537 2HG2 THR 65 1HG2 THR 65 -4.115 -20.026 -6.580 538 3HG2 THR 65 3HG2 THR 65 -3.516 -18.529 -5.865 539 H ALA 66 HN ALA 66 -6.010 -18.323 -1.892 540 HA ALA 66 HA ALA 66 -7.140 -21.088 -1.830 541 1HB ALA 66 3HB ALA 66 -4.504 -20.318 -1.077 542 2HB ALA 66 2HB ALA 66 -5.387 -20.675 0.408 543 3HB ALA 66 1HB ALA 66 -5.273 -21.891 -0.863 544 1H MET 1 3H MET 1 15.503 15.828 -7.629 545 2H MET 1 2H MET 1 16.550 17.035 -7.050 546 3H MET 1 1H MET 1 16.385 15.570 -6.203 547 HA MET 1 HA MET 1 14.985 16.760 -4.926 548 1HB MET 1 2HB MET 1 15.516 18.880 -6.017 549 2HB MET 1 1HB MET 1 14.488 18.462 -7.387 550 1HG MET 1 2HG MET 1 12.639 19.164 -6.309 551 2HG MET 1 1HG MET 1 13.037 18.202 -4.886 552 1HE MET 1 1HE MET 1 15.008 20.810 -6.800 553 2HE MET 1 3HE MET 1 13.478 21.694 -6.704 554 3HE MET 1 2HE MET 1 14.898 22.289 -5.850 555 H GLU 2 H GLU 2 13.346 17.004 -8.093 556 HA GLU 2 HA GLU 2 11.342 15.041 -7.049 557 1HB GLU 2 2HB GLU 2 10.892 17.388 -8.920 558 2HB GLU 2 1HB GLU 2 9.658 16.234 -8.413 559 1HG GLU 2 2HG GLU 2 10.633 16.976 -5.992 560 2HG GLU 2 1HG GLU 2 10.892 18.465 -6.900 561 H GLN 3 H GLN 3 12.687 13.365 -8.073 562 HA GLN 3 HA GLN 3 12.943 13.449 -11.004 563 1HB GLN 3 2HB GLN 3 14.328 12.159 -8.930 564 2HB GLN 3 1HB GLN 3 13.497 10.866 -9.797 565 1HG GLN 3 2HG GLN 3 14.592 11.327 -11.807 566 2HG GLN 3 1HG GLN 3 14.946 12.992 -11.346 567 1HE2 GLN 3 2HE2 GLN 3 17.214 10.498 -9.080 568 2HE2 GLN 3 1HE2 GLN 3 15.521 10.490 -8.965 569 NH1 ARG 4 NH1 ARG 4 5.116 11.694 -11.537 570 NH2 ARG 4 NH2 ARG 4 4.257 13.744 -11.124 571 H ARG 4 H ARG 4 11.159 12.959 -12.194 572 HA ARG 4 HA ARG 4 9.286 10.895 -11.112 573 1HB ARG 4 2HB ARG 4 8.807 13.108 -13.133 574 2HB ARG 4 1HB ARG 4 7.605 11.916 -12.637 575 1HG ARG 4 2HG ARG 4 9.030 13.724 -10.673 576 2HG ARG 4 1HG ARG 4 7.486 14.143 -11.415 577 1HD ARG 4 2HD ARG 4 7.361 11.446 -10.416 578 2HD ARG 4 1HD ARG 4 7.913 12.522 -9.131 579 HE ARG 4 HE ARG 4 5.749 13.448 -9.082 580 1HH1 ARG 4 2HH1 ARG 4 5.782 10.978 -11.331 581 2HH1 ARG 4 1HH1 ARG 4 4.445 11.559 -12.265 582 1HH2 ARG 4 1HH2 ARG 4 4.264 14.597 -10.602 583 2HH2 ARG 4 2HH2 ARG 4 3.584 13.608 -11.852 584 H ILE 5 H ILE 5 9.712 8.945 -12.039 585 HA ILE 5 HA ILE 5 10.060 8.871 -15.001 586 HB ILE 5 HB ILE 5 11.619 7.069 -13.142 587 1HG1 ILE 5 2HG1 ILE 5 13.501 8.752 -14.126 588 2HG1 ILE 5 1HG1 ILE 5 12.142 9.870 -13.983 589 1HG2 ILE 5 3HG2 ILE 5 11.532 7.654 -16.081 590 2HG2 ILE 5 2HG2 ILE 5 13.062 7.153 -15.360 591 3HG2 ILE 5 1HG2 ILE 5 11.651 6.102 -15.254 592 1HD1 ILE 5 1HD1 ILE 5 13.181 8.081 -11.765 593 2HD1 ILE 5 3HD1 ILE 5 13.479 9.815 -11.902 594 3HD1 ILE 5 2HD1 ILE 5 11.841 9.220 -11.628 595 H THR 6 H THR 6 9.069 7.057 -15.973 596 HA THR 6 HA THR 6 7.010 5.759 -14.370 597 HB THR 6 HB THR 6 7.841 5.006 -17.180 598 HG1 THR 6 HG1 THR 6 7.310 6.970 -17.659 599 1HG2 THR 6 1HG2 THR 6 5.233 4.873 -15.645 600 2HG2 THR 6 3HG2 THR 6 5.410 4.470 -17.353 601 3HG2 THR 6 2HG2 THR 6 6.238 3.507 -16.129 602 H LEU 7 H LEU 7 6.946 3.570 -13.762 603 HA LEU 7 HA LEU 7 9.320 2.293 -12.974 604 1HB LEU 7 2HB LEU 7 7.248 1.546 -12.028 605 2HB LEU 7 1HB LEU 7 6.581 1.175 -13.616 606 HG LEU 7 HG LEU 7 8.368 -0.563 -13.897 607 1HD1 LEU 7 3HD1 LEU 7 9.549 0.744 -11.761 608 2HD1 LEU 7 2HD1 LEU 7 8.898 -0.716 -11.015 609 3HD1 LEU 7 1HD1 LEU 7 10.019 -0.842 -12.370 610 1HD2 LEU 7 3HD2 LEU 7 6.561 -0.819 -11.470 611 2HD2 LEU 7 2HD2 LEU 7 6.130 -1.209 -13.135 612 3HD2 LEU 7 1HD2 LEU 7 7.342 -2.171 -12.289 613 H LYS 8 H LYS 8 7.882 2.490 -16.104 614 HA LYS 8 HA LYS 8 9.298 0.145 -17.156 615 1HB LYS 8 2HB LYS 8 8.160 0.588 -19.189 616 2HB LYS 8 1HB LYS 8 7.008 1.020 -17.927 617 1HG LYS 8 2HG LYS 8 7.559 3.374 -18.151 618 2HG LYS 8 1HG LYS 8 8.849 3.002 -19.295 619 1HD LYS 8 2HD LYS 8 7.390 2.573 -21.021 620 2HD LYS 8 1HD LYS 8 6.120 1.992 -19.943 621 1HE LYS 8 2HE LYS 8 5.203 4.052 -19.744 622 2HE LYS 8 1HE LYS 8 6.775 4.816 -19.519 623 1HZ LYS 8 1HZ LYS 8 6.970 4.220 -22.064 624 2HZ LYS 8 3HZ LYS 8 5.280 4.331 -21.979 625 3HZ LYS 8 2HZ LYS 8 6.240 5.661 -21.536 626 H ASP 9 H ASP 9 9.667 3.661 -17.187 627 HA ASP 9 HA ASP 9 11.880 3.586 -19.092 628 1HB ASP 9 2HB ASP 9 10.955 5.791 -17.222 629 2HB ASP 9 1HB ASP 9 12.128 5.982 -18.525 630 OH TYR 10 OH TYR 10 16.996 2.496 -9.582 631 H TYR 10 H TYR 10 11.510 3.346 -15.638 632 HA TYR 10 HA TYR 10 14.347 3.881 -15.094 633 1HB TYR 10 2HB TYR 10 12.649 4.500 -13.422 634 2HB TYR 10 1HB TYR 10 12.129 2.819 -13.311 635 HD1 TYR 10 HD1 TYR 10 15.667 3.336 -13.856 636 HD2 TYR 10 HD2 TYR 10 12.643 3.025 -10.827 637 HE1 TYR 10 HE1 TYR 10 17.420 2.916 -12.155 638 HE2 TYR 10 HE2 TYR 10 14.394 2.600 -9.123 639 HH TYR 10 HH TYR 10 17.824 2.851 -9.915 640 H ALA 11 H ALA 11 12.214 1.087 -15.451 641 HA ALA 11 HA ALA 11 14.356 -0.776 -14.677 642 1HB ALA 11 3HB ALA 11 11.835 -1.140 -14.295 643 2HB ALA 11 2HB ALA 11 11.749 -1.512 -16.017 644 3HB ALA 11 1HB ALA 11 12.747 -2.499 -14.949 645 H MET 12 H MET 12 13.160 0.734 -17.550 646 HA MET 12 HA MET 12 14.423 -1.255 -19.329 647 1HB MET 12 2HB MET 12 12.863 1.287 -19.819 648 2HB MET 12 1HB MET 12 13.626 0.376 -21.121 649 1HG MET 12 2HG MET 12 11.939 -1.167 -19.213 650 2HG MET 12 1HG MET 12 11.099 -0.095 -20.335 651 1HE MET 12 3HE MET 12 9.852 -1.849 -21.290 652 2HE MET 12 2HE MET 12 10.414 -3.191 -22.285 653 3HE MET 12 1HE MET 12 10.564 -3.279 -20.532 654 NH1 ARG 13 NH2 ARG 13 16.806 8.663 -20.301 655 NH2 ARG 13 NH1 ARG 13 18.582 7.749 -19.241 656 H ARG 13 H ARG 13 14.838 2.161 -18.441 657 HA ARG 13 HA ARG 13 17.259 2.389 -20.073 658 1HB ARG 13 2HB ARG 13 15.866 4.254 -18.144 659 2HB ARG 13 1HB ARG 13 17.384 4.671 -18.943 660 1HG ARG 13 2HG ARG 13 16.150 4.008 -21.137 661 2HG ARG 13 1HG ARG 13 14.679 4.185 -20.179 662 1HD ARG 13 2HD ARG 13 15.304 6.285 -21.379 663 2HD ARG 13 1HD ARG 13 15.262 6.486 -19.627 664 HE ARG 13 HE ARG 13 17.892 5.847 -20.822 665 1HH1 ARG 13 1HH2 ARG 13 16.000 8.563 -20.884 666 2HH1 ARG 13 2HH2 ARG 13 17.059 9.563 -19.947 667 1HH2 ARG 13 2HH1 ARG 13 19.137 6.949 -19.014 668 2HH2 ARG 13 1HH1 ARG 13 18.833 8.649 -18.886 669 H PHE 14 H PHE 14 16.483 1.834 -16.682 670 HA PHE 14 HA PHE 14 19.407 1.890 -16.079 671 1HB PHE 14 2HB PHE 14 17.085 1.879 -14.130 672 2HB PHE 14 1HB PHE 14 18.786 2.098 -13.734 673 HD1 PHE 14 HD1 PHE 14 16.221 3.562 -16.076 674 HD2 PHE 14 HD2 PHE 14 19.541 4.268 -13.443 675 HE1 PHE 14 HE1 PHE 14 16.023 6.002 -16.477 676 HE2 PHE 14 HE2 PHE 14 19.341 6.706 -13.844 677 HZ PHE 14 HZ PHE 14 17.584 7.573 -15.361 678 H GLY 15 H GLY 15 16.632 -0.177 -16.338 679 1HA GLY 15 2HA GLY 15 17.125 -2.589 -16.685 680 2HA GLY 15 1HA GLY 15 18.333 -2.454 -15.407 681 H GLN 16 H GLN 16 15.903 -4.200 -15.613 682 HA GLN 16 HA GLN 16 13.965 -3.223 -13.694 683 1HB GLN 16 2HB GLN 16 14.575 -5.983 -14.782 684 2HB GLN 16 1HB GLN 16 13.267 -5.670 -13.642 685 1HG GLN 16 2HG GLN 16 12.137 -4.235 -15.179 686 2HG GLN 16 1HG GLN 16 13.542 -4.153 -16.244 687 1HE2 GLN 16 2HE2 GLN 16 12.040 -6.727 -18.140 688 2HE2 GLN 16 1HE2 GLN 16 12.611 -5.127 -18.115 689 H THR 17 H THR 17 17.049 -4.798 -13.463 690 HA THR 17 HA THR 17 16.690 -5.893 -10.808 691 HB THR 17 HB THR 17 19.208 -5.143 -12.327 692 HG1 THR 17 HG1 THR 17 19.193 -7.227 -12.951 693 1HG2 THR 17 2HG2 THR 17 19.393 -5.295 -9.787 694 2HG2 THR 17 1HG2 THR 17 18.956 -6.995 -9.951 695 3HG2 THR 17 3HG2 THR 17 20.434 -6.388 -10.699 696 H LYS 18 H LYS 18 17.583 -2.752 -12.087 697 HA LYS 18 HA LYS 18 18.551 -1.772 -9.500 698 1HB LYS 18 2HB LYS 18 18.177 -0.618 -12.233 699 2HB LYS 18 1HB LYS 18 18.244 0.494 -10.866 700 1HG LYS 18 2HG LYS 18 20.377 -0.646 -10.147 701 2HG LYS 18 1HG LYS 18 20.337 -1.548 -11.662 702 1HD LYS 18 2HD LYS 18 19.956 1.056 -12.506 703 2HD LYS 18 1HD LYS 18 21.097 1.246 -11.174 704 1HE LYS 18 2HE LYS 18 22.325 -0.783 -12.305 705 2HE LYS 18 1HE LYS 18 21.419 -0.291 -13.735 706 1HZ LYS 18 3HZ LYS 18 22.662 1.896 -12.337 707 2HZ LYS 18 2HZ LYS 18 23.775 0.765 -12.947 708 3HZ LYS 18 1HZ LYS 18 22.669 1.522 -13.992 709 H THR 19 H THR 19 15.636 -1.383 -11.495 710 HA THR 19 HA THR 19 14.304 0.439 -9.720 711 HB THR 19 HB THR 19 12.991 -1.593 -11.545 712 HG1 THR 19 HG1 THR 19 13.360 0.972 -12.440 713 1HG2 THR 19 2HG2 THR 19 12.139 0.887 -10.110 714 2HG2 THR 19 1HG2 THR 19 11.439 0.566 -11.697 715 3HG2 THR 19 3HG2 THR 19 11.245 -0.606 -10.393 716 H ALA 20 H ALA 20 14.440 -3.097 -9.890 717 HA ALA 20 HA ALA 20 12.466 -3.466 -7.780 718 1HB ALA 20 2HB ALA 20 13.760 -5.113 -9.672 719 2HB ALA 20 1HB ALA 20 14.259 -5.715 -8.092 720 3HB ALA 20 3HB ALA 20 12.545 -5.604 -8.492 721 H LYS 21 H LYS 21 15.898 -2.918 -7.928 722 HA LYS 21 HA LYS 21 16.453 -3.934 -5.254 723 1HB LYS 21 2HB LYS 21 18.164 -3.719 -7.115 724 2HB LYS 21 1HB LYS 21 18.107 -1.974 -6.865 725 1HG LYS 21 2HG LYS 21 19.896 -2.612 -5.493 726 2HG LYS 21 1HG LYS 21 18.547 -2.575 -4.357 727 1HD LYS 21 2HD LYS 21 18.239 -4.999 -4.617 728 2HD LYS 21 1HD LYS 21 19.558 -5.051 -5.786 729 1HE LYS 21 2HE LYS 21 20.029 -3.888 -3.055 730 2HE LYS 21 1HE LYS 21 20.053 -5.636 -3.280 731 1HZ LYS 21 1HZ LYS 21 21.549 -4.754 -5.342 732 2HZ LYS 21 3HZ LYS 21 21.959 -3.649 -4.123 733 3HZ LYS 21 2HZ LYS 21 22.169 -5.314 -3.863 734 H ASP 22 H ASP 22 15.608 -0.828 -6.681 735 HA ASP 22 HA ASP 22 16.083 0.652 -4.208 736 1HB ASP 22 2HB ASP 22 15.497 1.279 -6.947 737 2HB ASP 22 1HB ASP 22 14.311 2.079 -5.916 738 H LEU 23 H LEU 23 13.293 -0.728 -5.893 739 HA LEU 23 HA LEU 23 11.388 0.291 -3.928 740 1HB LEU 23 2HB LEU 23 11.227 -1.618 -6.257 741 2HB LEU 23 1HB LEU 23 9.878 -1.457 -5.132 742 HG LEU 23 HG LEU 23 10.979 1.119 -6.014 743 1HD1 LEU 23 1HD1 LEU 23 10.250 -0.968 -7.980 744 2HD1 LEU 23 3HD1 LEU 23 9.459 0.590 -8.217 745 3HD1 LEU 23 2HD1 LEU 23 11.220 0.491 -8.193 746 1HD2 LEU 23 2HD2 LEU 23 8.487 -0.106 -5.191 747 2HD2 LEU 23 1HD2 LEU 23 8.916 1.605 -5.241 748 3HD2 LEU 23 3HD2 LEU 23 8.253 0.819 -6.675 749 H GLY 24 H GLY 24 13.380 -2.545 -4.294 750 1HA GLY 24 2HA GLY 24 13.849 -4.183 -2.648 751 2HA GLY 24 1HA GLY 24 12.633 -3.436 -1.610 752 H VAL 25 H VAL 25 11.851 -4.307 -4.899 753 HA VAL 25 HA VAL 25 9.974 -6.357 -3.825 754 HB VAL 25 HB VAL 25 9.829 -5.570 -6.685 755 1HG1 VAL 25 2HG1 VAL 25 7.976 -6.172 -4.398 756 2HG1 VAL 25 1HG1 VAL 25 7.362 -5.314 -5.811 757 3HG1 VAL 25 3HG1 VAL 25 8.059 -6.924 -5.992 758 1HG2 VAL 25 3HG2 VAL 25 9.115 -3.651 -4.441 759 2HG2 VAL 25 2HG2 VAL 25 10.375 -3.404 -5.649 760 3HG2 VAL 25 1HG2 VAL 25 8.680 -3.437 -6.136 761 OH TYR 26 OH TYR 26 7.244 -9.928 -1.707 762 H TYR 26 H TYR 26 9.577 -7.997 -5.941 763 HA TYR 26 HA TYR 26 12.250 -9.267 -6.265 764 1HB TYR 26 2HB TYR 26 9.860 -10.740 -7.191 765 2HB TYR 26 1HB TYR 26 11.201 -11.291 -6.191 766 HD1 TYR 26 HD1 TYR 26 11.291 -9.964 -3.802 767 HD2 TYR 26 HD2 TYR 26 7.781 -10.702 -6.165 768 HE1 TYR 26 HE1 TYR 26 9.877 -9.713 -1.779 769 HE2 TYR 26 HE2 TYR 26 6.368 -10.452 -4.144 770 HH TYR 26 HH TYR 26 7.715 -10.319 -0.966 771 H GLN 27 H GLN 27 12.628 -10.338 -8.435 772 HA GLN 27 HA GLN 27 12.274 -8.417 -10.552 773 1HB GLN 27 2HB GLN 27 13.480 -11.121 -10.269 774 2HB GLN 27 1HB GLN 27 12.990 -10.650 -11.897 775 1HG GLN 27 2HG GLN 27 14.308 -8.586 -11.719 776 2HG GLN 27 1HG GLN 27 14.772 -9.011 -10.071 777 1HE2 GLN 27 2HE2 GLN 27 17.598 -10.676 -11.341 778 2HE2 GLN 27 1HE2 GLN 27 16.970 -9.554 -10.234 779 H SER 28 H SER 28 10.397 -11.108 -9.416 780 HA SER 28 HA SER 28 8.884 -11.453 -11.887 781 1HB SER 28 2HB SER 28 9.234 -13.147 -9.925 782 2HB SER 28 1HB SER 28 7.898 -12.286 -9.166 783 HG SER 28 HG SER 28 7.905 -13.497 -11.739 784 H ALA 29 H ALA 29 8.822 -9.241 -9.265 785 HA ALA 29 HA ALA 29 5.976 -8.551 -9.626 786 1HB ALA 29 1HB ALA 29 7.495 -8.414 -7.431 787 2HB ALA 29 3HB ALA 29 7.873 -6.820 -8.084 788 3HB ALA 29 2HB ALA 29 6.202 -7.249 -7.718 789 H ILE 30 H ILE 30 9.173 -7.428 -10.493 790 HA ILE 30 HA ILE 30 8.248 -4.919 -11.659 791 HB ILE 30 HB ILE 30 10.855 -6.392 -12.138 792 1HG1 ILE 30 2HG1 ILE 30 10.231 -5.955 -9.684 793 2HG1 ILE 30 1HG1 ILE 30 11.768 -5.287 -10.233 794 1HG2 ILE 30 2HG2 ILE 30 9.740 -3.756 -12.847 795 2HG2 ILE 30 1HG2 ILE 30 11.368 -3.710 -12.170 796 3HG2 ILE 30 3HG2 ILE 30 11.038 -4.674 -13.610 797 1HD1 ILE 30 3HD1 ILE 30 9.485 -3.486 -10.666 798 2HD1 ILE 30 2HD1 ILE 30 9.783 -3.850 -8.966 799 3HD1 ILE 30 1HD1 ILE 30 11.064 -3.149 -9.956 800 H ASN 31 H ASN 31 8.736 -8.219 -12.691 801 HA ASN 31 HA ASN 31 8.613 -7.618 -15.544 802 1HB ASN 31 2HB ASN 31 9.277 -9.859 -13.955 803 2HB ASN 31 1HB ASN 31 7.863 -10.334 -14.897 804 1HD2 ASN 31 2HD2 ASN 31 10.160 -11.055 -17.503 805 2HD2 ASN 31 1HD2 ASN 31 9.062 -11.698 -16.378 806 H LYS 32 H LYS 32 6.342 -8.719 -13.037 807 HA LYS 32 HA LYS 32 4.145 -9.128 -14.861 808 1HB LYS 32 2HB LYS 32 2.762 -9.318 -12.902 809 2HB LYS 32 1HB LYS 32 4.308 -10.077 -12.520 810 1HG LYS 32 2HG LYS 32 5.043 -8.171 -11.282 811 2HG LYS 32 1HG LYS 32 3.711 -7.185 -11.882 812 1HD LYS 32 2HD LYS 32 3.183 -7.877 -9.617 813 2HD LYS 32 1HD LYS 32 2.115 -8.735 -10.726 814 1HE LYS 32 2HE LYS 32 4.683 -10.088 -10.141 815 2HE LYS 32 1HE LYS 32 3.563 -9.970 -8.785 816 1HZ LYS 32 1HZ LYS 32 1.977 -10.681 -10.872 817 2HZ LYS 32 3HZ LYS 32 3.393 -11.570 -11.155 818 3HZ LYS 32 2HZ LYS 32 2.572 -11.731 -9.677 819 H ALA 33 H ALA 33 5.349 -6.340 -13.071 820 HA ALA 33 HA ALA 33 3.023 -4.690 -13.600 821 1HB ALA 33 2HB ALA 33 5.616 -4.395 -12.297 822 2HB ALA 33 1HB ALA 33 5.190 -2.968 -13.244 823 3HB ALA 33 3HB ALA 33 4.104 -3.543 -11.979 824 H ILE 34 H ILE 34 6.181 -5.117 -15.164 825 HA ILE 34 HA ILE 34 5.622 -3.108 -17.204 826 HB ILE 34 HB ILE 34 7.753 -5.232 -16.889 827 1HG1 ILE 34 2HG1 ILE 34 8.105 -2.245 -17.104 828 2HG1 ILE 34 1HG1 ILE 34 7.656 -2.986 -15.567 829 1HG2 ILE 34 3HG2 ILE 34 7.221 -4.946 -19.299 830 2HG2 ILE 34 2HG2 ILE 34 7.468 -3.208 -19.132 831 3HG2 ILE 34 1HG2 ILE 34 8.819 -4.316 -18.901 832 1HD1 ILE 34 2HD1 ILE 34 9.638 -4.539 -15.851 833 2HD1 ILE 34 1HD1 ILE 34 10.134 -3.538 -17.216 834 3HD1 ILE 34 3HD1 ILE 34 10.057 -2.845 -15.596 835 H HIS 35 H HIS 35 4.867 -6.431 -16.713 836 HA HIS 35 HA HIS 35 4.506 -7.121 -19.518 837 1HB HIS 35 2HB HIS 35 3.721 -8.387 -16.897 838 2HB HIS 35 1HB HIS 35 3.104 -9.022 -18.423 839 HD1 HIS 35 HD1 HIS 35 4.583 -11.200 -17.890 840 HD2 HIS 35 HD2 HIS 35 6.740 -7.709 -18.630 841 HE1 HIS 35 HE1 HIS 35 6.970 -11.915 -18.343 842 H ALA 36 H ALA 36 2.631 -5.530 -17.071 843 HA ALA 36 HA ALA 36 0.081 -5.897 -18.486 844 1HB ALA 36 3HB ALA 36 0.227 -5.708 -15.984 845 2HB ALA 36 2HB ALA 36 0.743 -4.033 -16.186 846 3HB ALA 36 1HB ALA 36 -0.865 -4.530 -16.712 847 H GLY 37 H GLY 37 2.738 -3.695 -18.520 848 1HA GLY 37 2HA GLY 37 3.093 -1.701 -19.702 849 2HA GLY 37 1HA GLY 37 1.847 -2.287 -20.806 850 NH1 ARG 38 NH1 ARG 38 -5.146 -3.411 -15.507 851 NH2 ARG 38 NH2 ARG 38 -5.333 -3.086 -17.736 852 H ARG 38 H ARG 38 1.104 -1.826 -17.428 853 HA ARG 38 HA ARG 38 -1.007 0.059 -18.112 854 1HB ARG 38 2HB ARG 38 -0.558 -1.695 -16.018 855 2HB ARG 38 1HB ARG 38 -0.280 -0.121 -15.273 856 1HG ARG 38 2HG ARG 38 -2.472 0.443 -15.389 857 2HG ARG 38 1HG ARG 38 -2.628 -0.170 -17.035 858 1HD ARG 38 2HD ARG 38 -2.274 -2.219 -14.920 859 2HD ARG 38 1HD ARG 38 -3.808 -1.352 -14.903 860 HE ARG 38 HE ARG 38 -2.861 -2.617 -17.432 861 1HH1 ARG 38 2HH1 ARG 38 -4.615 -3.336 -14.663 862 2HH1 ARG 38 1HH1 ARG 38 -6.064 -3.808 -15.488 863 1HH2 ARG 38 1HH2 ARG 38 -4.947 -2.764 -18.601 864 2HH2 ARG 38 2HH2 ARG 38 -6.251 -3.483 -17.717 865 H LYS 39 H LYS 39 -1.048 2.021 -16.304 866 HA LYS 39 HA LYS 39 1.389 3.597 -16.959 867 1HB LYS 39 2HB LYS 39 -1.453 4.195 -16.562 868 2HB LYS 39 1HB LYS 39 -0.384 5.319 -15.732 869 1HG LYS 39 2HG LYS 39 -0.495 6.318 -17.826 870 2HG LYS 39 1HG LYS 39 0.910 5.275 -18.049 871 1HD LYS 39 2HD LYS 39 -0.167 3.943 -19.537 872 2HD LYS 39 1HD LYS 39 -1.653 3.934 -18.586 873 1HE LYS 39 2HE LYS 39 -2.134 5.063 -20.664 874 2HE LYS 39 1HE LYS 39 -2.082 6.289 -19.396 875 1HZ LYS 39 2HZ LYS 39 0.447 5.708 -20.698 876 2HZ LYS 39 1HZ LYS 39 -0.720 6.466 -21.673 877 3HZ LYS 39 3HZ LYS 39 -0.220 7.199 -20.228 878 H ILE 40 H ILE 40 2.509 2.257 -15.302 879 HA ILE 40 HA ILE 40 1.876 3.022 -12.504 880 HB ILE 40 HB ILE 40 3.935 1.106 -13.653 881 1HG1 ILE 40 2HG1 ILE 40 1.481 0.495 -11.988 882 2HG1 ILE 40 1HG1 ILE 40 1.455 0.492 -13.752 883 1HG2 ILE 40 3HG2 ILE 40 3.327 2.033 -10.855 884 2HG2 ILE 40 2HG2 ILE 40 3.947 0.405 -11.131 885 3HG2 ILE 40 1HG2 ILE 40 4.894 1.806 -11.631 886 1HD1 ILE 40 3HD1 ILE 40 3.264 -1.190 -13.774 887 2HD1 ILE 40 2HD1 ILE 40 3.277 -1.196 -12.011 888 3HD1 ILE 40 1HD1 ILE 40 1.861 -1.779 -12.883 889 H PHE 41 H PHE 41 2.534 5.163 -12.401 890 HA PHE 41 HA PHE 41 5.105 5.989 -13.511 891 1HB PHE 41 2HB PHE 41 3.389 7.567 -11.592 892 2HB PHE 41 1HB PHE 41 4.482 8.176 -12.837 893 HD1 PHE 41 HD1 PHE 41 3.557 5.933 -14.884 894 HD2 PHE 41 HD2 PHE 41 1.477 8.846 -12.505 895 HE1 PHE 41 HE1 PHE 41 1.707 5.961 -16.525 896 HE2 PHE 41 HE2 PHE 41 -0.372 8.871 -14.151 897 HZ PHE 41 HZ PHE 41 -0.258 7.429 -16.163 898 H LEU 42 H LEU 42 6.830 6.925 -12.179 899 HA LEU 42 HA LEU 42 6.942 5.709 -9.447 900 1HB LEU 42 2HB LEU 42 8.553 5.123 -11.674 901 2HB LEU 42 1HB LEU 42 9.552 6.143 -10.640 902 HG LEU 42 HG LEU 42 8.985 4.655 -8.711 903 1HD1 LEU 42 1HD1 LEU 42 6.842 3.842 -9.833 904 2HD1 LEU 42 3HD1 LEU 42 7.867 2.795 -10.812 905 3HD1 LEU 42 2HD1 LEU 42 7.826 2.599 -9.061 906 1HD2 LEU 42 1HD2 LEU 42 10.994 4.360 -10.318 907 2HD2 LEU 42 3HD2 LEU 42 10.566 2.987 -9.297 908 3HD2 LEU 42 2HD2 LEU 42 10.083 3.009 -10.993 909 H THR 43 H THR 43 6.839 7.383 -8.017 910 HA THR 43 HA THR 43 8.077 9.986 -8.753 911 HB THR 43 HB THR 43 6.282 9.200 -6.435 912 HG1 THR 43 HG1 THR 43 5.680 11.006 -8.496 913 1HG2 THR 43 2HG2 THR 43 7.661 11.770 -7.184 914 2HG2 THR 43 1HG2 THR 43 6.140 11.792 -6.289 915 3HG2 THR 43 3HG2 THR 43 7.555 10.992 -5.605 916 H ILE 44 H ILE 44 10.297 9.463 -8.447 917 HA ILE 44 HA ILE 44 11.168 8.296 -5.897 918 HB ILE 44 HB ILE 44 13.127 9.559 -7.758 919 1HG1 ILE 44 2HG1 ILE 44 11.410 7.152 -8.427 920 2HG1 ILE 44 1HG1 ILE 44 11.654 8.605 -9.397 921 1HG2 ILE 44 1HG2 ILE 44 13.419 8.036 -5.590 922 2HG2 ILE 44 3HG2 ILE 44 13.210 6.739 -6.768 923 3HG2 ILE 44 2HG2 ILE 44 14.524 7.900 -6.959 924 1HD1 ILE 44 2HD1 ILE 44 14.044 8.025 -9.658 925 2HD1 ILE 44 1HD1 ILE 44 13.784 6.556 -8.718 926 3HD1 ILE 44 3HD1 ILE 44 13.000 6.751 -10.286 927 H ASN 45 H ASN 45 11.553 9.484 -4.114 928 HA ASN 45 HA ASN 45 11.714 12.427 -4.333 929 1HB ASN 45 2HB ASN 45 11.583 10.592 -1.919 930 2HB ASN 45 1HB ASN 45 11.564 12.355 -1.851 931 1HD2 ASN 45 2HD2 ASN 45 8.042 12.173 -2.048 932 2HD2 ASN 45 1HD2 ASN 45 9.391 12.677 -1.152 933 H ALA 46 H ALA 46 13.530 13.609 -3.605 934 HA ALA 46 HA ALA 46 16.082 12.783 -4.188 935 1HB ALA 46 1HB ALA 46 15.213 15.082 -3.311 936 2HB ALA 46 3HB ALA 46 15.663 14.458 -1.724 937 3HB ALA 46 2HB ALA 46 16.885 14.627 -2.985 938 H ASP 47 H ASP 47 14.246 11.882 -1.348 939 HA ASP 47 HA ASP 47 16.610 10.753 -0.004 940 1HB ASP 47 2HB ASP 47 13.750 11.198 0.671 941 2HB ASP 47 1HB ASP 47 14.519 9.801 1.427 942 H GLY 48 H GLY 48 15.929 9.699 -2.641 943 1HA GLY 48 2HA GLY 48 15.617 7.637 -3.721 944 2HA GLY 48 1HA GLY 48 16.298 6.948 -2.245 945 H SER 49 H SER 49 13.294 8.801 -2.370 946 HA SER 49 HA SER 49 11.902 6.470 -1.196 947 1HB SER 49 2HB SER 49 11.717 9.169 -0.720 948 2HB SER 49 1HB SER 49 10.324 8.892 -1.763 949 HG SER 49 HG SER 49 10.868 7.108 0.332 950 H VAL 50 H VAL 50 11.530 5.034 -2.908 951 HA VAL 50 HA VAL 50 10.480 5.997 -5.460 952 HB VAL 50 HB VAL 50 10.573 3.150 -4.431 953 1HG1 VAL 50 2HG1 VAL 50 10.368 4.424 -7.169 954 2HG1 VAL 50 1HG1 VAL 50 10.788 2.728 -6.935 955 3HG1 VAL 50 3HG1 VAL 50 9.219 3.330 -6.401 956 1HG2 VAL 50 2HG2 VAL 50 12.773 4.627 -4.486 957 2HG2 VAL 50 1HG2 VAL 50 12.793 2.980 -5.113 958 3HG2 VAL 50 3HG2 VAL 50 12.662 4.344 -6.224 959 OH TYR 51 OH TYR 51 1.226 6.568 -1.186 960 H TYR 51 H TYR 51 8.451 6.861 -5.314 961 HA TYR 51 HA TYR 51 6.366 5.241 -3.910 962 1HB TYR 51 2HB TYR 51 6.899 7.713 -3.222 963 2HB TYR 51 1HB TYR 51 6.012 8.129 -4.688 964 HD1 TYR 51 HD1 TYR 51 3.747 6.665 -4.981 965 HD2 TYR 51 HD2 TYR 51 5.661 7.618 -1.257 966 HE1 TYR 51 HE1 TYR 51 1.601 6.312 -3.789 967 HE2 TYR 51 HE2 TYR 51 3.515 7.264 -0.062 968 HH TYR 51 HH TYR 51 1.301 6.967 -0.317 969 H ALA 52 H ALA 52 6.078 3.904 -5.819 970 HA ALA 52 HA ALA 52 5.344 5.152 -8.355 971 1HB ALA 52 2HB ALA 52 6.423 2.790 -7.871 972 2HB ALA 52 1HB ALA 52 4.743 2.285 -7.714 973 3HB ALA 52 3HB ALA 52 5.311 2.992 -9.225 974 H GLU 53 H GLU 53 3.262 5.378 -9.186 975 HA GLU 53 HA GLU 53 0.999 4.497 -7.455 976 1HB GLU 53 2HB GLU 53 1.538 7.269 -8.533 977 2HB GLU 53 1HB GLU 53 -0.086 6.749 -8.083 978 1HG GLU 53 2HG GLU 53 0.368 6.853 -5.863 979 2HG GLU 53 1HG GLU 53 1.961 6.122 -6.064 980 H GLU 54 H GLU 54 -0.871 3.921 -8.620 981 HA GLU 54 HA GLU 54 -0.456 3.594 -11.539 982 1HB GLU 54 2HB GLU 54 -1.223 1.663 -10.074 983 2HB GLU 54 1HB GLU 54 -2.744 2.531 -9.862 984 1HG GLU 54 2HG GLU 54 -2.917 2.628 -12.392 985 2HG GLU 54 1HG GLU 54 -1.558 1.503 -12.450 986 H VAL 55 H VAL 55 -1.481 4.913 -12.960 987 HA VAL 55 HA VAL 55 -4.010 6.225 -12.165 988 HB VAL 55 HB VAL 55 -2.460 8.242 -13.454 989 1HG1 VAL 55 3HG1 VAL 55 -4.131 7.835 -11.149 990 2HG1 VAL 55 2HG1 VAL 55 -2.720 8.782 -10.678 991 3HG1 VAL 55 1HG1 VAL 55 -3.762 9.343 -11.986 992 1HG2 VAL 55 2HG2 VAL 55 -0.482 6.921 -12.607 993 2HG2 VAL 55 1HG2 VAL 55 -0.592 8.549 -11.939 994 3HG2 VAL 55 3HG2 VAL 55 -1.090 7.162 -10.970 995 H LYS 56 H LYS 56 -5.100 5.149 -13.795 996 HA LYS 56 HA LYS 56 -4.519 6.084 -16.536 997 1HB LYS 56 2HB LYS 56 -3.238 4.028 -16.418 998 2HB LYS 56 1HB LYS 56 -4.617 3.161 -15.752 999 1HG LYS 56 2HG LYS 56 -5.042 4.581 -18.334 1000 2HG LYS 56 1HG LYS 56 -4.035 3.135 -18.379 1001 1HD LYS 56 2HD LYS 56 -6.637 3.041 -16.890 1002 2HD LYS 56 1HD LYS 56 -6.656 2.935 -18.651 1003 1HE LYS 56 2HE LYS 56 -5.923 0.806 -18.599 1004 2HE LYS 56 1HE LYS 56 -4.582 1.238 -17.538 1005 1HZ LYS 56 1HZ LYS 56 -6.108 1.161 -15.656 1006 2HZ LYS 56 3HZ LYS 56 -7.377 0.709 -16.686 1007 3HZ LYS 56 2HZ LYS 56 -6.053 -0.332 -16.465 1008 HA PRO 57 HA PRO 57 -8.969 6.068 -16.233 1009 1HB PRO 57 2HB PRO 57 -9.394 7.295 -18.654 1010 2HB PRO 57 1HB PRO 57 -8.919 8.169 -17.188 1011 1HG PRO 57 2HG PRO 57 -7.276 7.488 -19.580 1012 2HG PRO 57 1HG PRO 57 -7.082 8.819 -18.426 1013 1HD PRO 57 2HD PRO 57 -5.575 6.419 -18.469 1014 2HD PRO 57 1HD PRO 57 -5.608 7.612 -17.153 1015 H PHE 58 H PHE 58 -10.600 4.712 -17.104 1016 HA PHE 58 HA PHE 58 -9.750 3.004 -19.405 1017 1HB PHE 58 2HB PHE 58 -10.430 1.088 -18.326 1018 2HB PHE 58 1HB PHE 58 -10.001 2.044 -16.913 1019 HD1 PHE 58 HD2 PHE 58 -12.862 1.129 -19.126 1020 HD2 PHE 58 HD1 PHE 58 -11.630 2.583 -15.276 1021 HE1 PHE 58 HE2 PHE 58 -15.197 0.949 -18.312 1022 HE2 PHE 58 HE1 PHE 58 -13.967 2.403 -14.462 1023 HZ PHE 58 HZ PHE 58 -15.750 1.585 -15.980 1024 HA PRO 59 HA PRO 59 -10.741 1.336 -20.367 1025 1HB PRO 59 2HB PRO 59 -11.376 1.127 -23.035 1026 2HB PRO 59 1HB PRO 59 -12.335 0.391 -21.740 1027 1HG PRO 59 2HG PRO 59 -12.942 2.802 -23.386 1028 2HG PRO 59 1HG PRO 59 -14.054 1.696 -22.561 1029 1HD PRO 59 2HD PRO 59 -13.276 4.266 -21.647 1030 2HD PRO 59 1HD PRO 59 -14.136 3.031 -20.701 1031 H SER 60 H SER 60 -9.308 1.131 -22.677 1032 HA SER 60 HA SER 60 -7.314 3.135 -22.466 1033 1HB SER 60 2HB SER 60 -6.374 2.188 -24.497 1034 2HB SER 60 1HB SER 60 -7.007 0.873 -23.511 1035 HG SER 60 HG SER 60 -9.026 1.389 -24.859 1036 H ASN 61 H ASN 61 -6.854 3.952 -25.159 1037 HA ASN 61 HA ASN 61 -9.216 5.723 -25.646 1038 1HB ASN 61 2HB ASN 61 -6.614 6.497 -24.839 1039 2HB ASN 61 1HB ASN 61 -6.762 6.939 -26.542 1040 1HD2 ASN 61 2HD2 ASN 61 -8.198 9.837 -24.847 1041 2HD2 ASN 61 1HD2 ASN 61 -6.676 9.180 -25.209 1042 H LYS 62 H LYS 62 -9.472 3.654 -27.121 1043 HA LYS 62 HA LYS 62 -7.869 3.155 -29.365 1044 1HB LYS 62 2HB LYS 62 -10.896 3.115 -29.162 1045 2HB LYS 62 1HB LYS 62 -9.972 2.389 -30.478 1046 1HG LYS 62 2HG LYS 62 -8.721 1.068 -28.682 1047 2HG LYS 62 1HG LYS 62 -9.966 1.611 -27.556 1048 1HD LYS 62 2HD LYS 62 -10.681 0.277 -30.167 1049 2HD LYS 62 1HD LYS 62 -10.339 -0.665 -28.714 1050 1HE LYS 62 2HE LYS 62 -12.102 0.544 -27.497 1051 2HE LYS 62 1HE LYS 62 -12.435 1.517 -28.929 1052 1HZ LYS 62 3HZ LYS 62 -12.539 -1.429 -29.035 1053 2HZ LYS 62 2HZ LYS 62 -13.878 -0.528 -28.505 1054 3HZ LYS 62 1HZ LYS 62 -13.266 -0.304 -30.073 1055 H LYS 63 H LYS 63 -8.206 3.866 -31.640 1056 HA LYS 63 HA LYS 63 -8.293 5.582 -33.236 1057 1HB LYS 63 2HB LYS 63 -10.773 5.330 -32.479 1058 2HB LYS 63 1HB LYS 63 -10.496 6.838 -31.607 1059 1HG LYS 63 2HG LYS 63 -11.161 7.742 -33.611 1060 2HG LYS 63 1HG LYS 63 -9.450 7.533 -33.986 1061 1HD LYS 63 2HD LYS 63 -9.922 5.354 -35.021 1062 2HD LYS 63 1HD LYS 63 -11.632 5.526 -34.621 1063 1HE LYS 63 2HE LYS 63 -12.008 6.859 -36.402 1064 2HE LYS 63 1HE LYS 63 -10.607 7.865 -36.029 1065 1HZ LYS 63 2HZ LYS 63 -9.950 5.237 -37.018 1066 2HZ LYS 63 1HZ LYS 63 -10.788 6.201 -38.136 1067 3HZ LYS 63 3HZ LYS 63 -9.331 6.753 -37.467 1068 H THR 64 H THR 64 -6.529 5.907 -30.938 1069 HA THR 64 HA THR 64 -6.713 8.713 -30.119 1070 HB THR 64 HB THR 64 -5.745 7.138 -28.550 1071 HG1 THR 64 HG1 THR 64 -4.595 8.850 -28.147 1072 1HG2 THR 64 2HG2 THR 64 -4.403 6.193 -30.962 1073 2HG2 THR 64 1HG2 THR 64 -3.281 6.403 -29.618 1074 3HG2 THR 64 3HG2 THR 64 -4.687 5.354 -29.437 1075 H THR 65 H THR 65 -4.993 10.288 -30.628 1076 HA THR 65 HA THR 65 -4.135 10.013 -33.450 1077 HB THR 65 HB THR 65 -5.281 12.100 -32.654 1078 HG1 THR 65 HG1 THR 65 -2.715 12.930 -33.277 1079 1HG2 THR 65 2HG2 THR 65 -3.098 11.940 -30.697 1080 2HG2 THR 65 1HG2 THR 65 -3.268 13.533 -31.433 1081 3HG2 THR 65 3HG2 THR 65 -4.635 12.797 -30.599 1082 H ALA 66 HN ALA 66 -2.701 8.292 -31.867 1083 HA ALA 66 HA ALA 66 0.009 9.419 -32.110 1084 1HB ALA 66 1HB ALA 66 -0.700 10.007 -29.792 1085 2HB ALA 66 3HB ALA 66 -0.976 8.295 -29.470 1086 3HB ALA 66 2HB ALA 66 0.653 8.875 -29.815 Start of MODEL 15 Raw file had 1086 H/Q atoms Start of MODEL 15 1 1H MET 1 1H MET 1 -21.209 16.433 -5.457 2 2H MET 1 3H MET 1 -20.513 15.925 -3.997 3 3H MET 1 2H MET 1 -20.685 17.584 -4.323 4 HA MET 1 HA MET 1 -18.736 17.667 -5.336 5 1HB MET 1 2HB MET 1 -18.459 15.717 -3.579 6 2HB MET 1 1HB MET 1 -18.339 14.709 -5.021 7 1HG MET 1 2HG MET 1 -16.737 17.176 -5.155 8 2HG MET 1 1HG MET 1 -16.233 16.062 -3.885 9 1HE MET 1 1HE MET 1 -16.087 13.747 -4.081 10 2HE MET 1 3HE MET 1 -17.004 13.030 -5.414 11 3HE MET 1 2HE MET 1 -15.246 12.911 -5.385 12 H GLU 2 H GLU 2 -20.778 17.465 -7.173 13 HA GLU 2 HA GLU 2 -21.102 17.020 -9.456 14 1HB GLU 2 2HB GLU 2 -18.375 17.221 -9.146 15 2HB GLU 2 1HB GLU 2 -18.543 15.610 -9.846 16 1HG GLU 2 2HG GLU 2 -18.966 16.496 -11.869 17 2HG GLU 2 1HG GLU 2 -20.318 17.417 -11.208 18 H GLN 3 H GLN 3 -20.793 14.957 -11.060 19 HA GLN 3 HA GLN 3 -22.034 12.730 -9.585 20 1HB GLN 3 2HB GLN 3 -21.381 12.740 -12.531 21 2HB GLN 3 1HB GLN 3 -22.678 11.884 -11.697 22 1HG GLN 3 2HG GLN 3 -22.525 14.903 -11.757 23 2HG GLN 3 1HG GLN 3 -23.366 13.979 -13.002 24 1HE2 GLN 3 2HE2 GLN 3 -25.079 14.454 -9.349 25 2HE2 GLN 3 1HE2 GLN 3 -23.547 15.101 -9.690 26 NH1 ARG 4 NH2 ARG 4 -12.587 13.185 -10.658 27 NH2 ARG 4 NH1 ARG 4 -12.653 10.926 -10.664 28 H ARG 4 H ARG 4 -19.912 12.356 -8.405 29 HA ARG 4 HA ARG 4 -17.988 10.812 -10.089 30 1HB ARG 4 2HB ARG 4 -17.706 12.303 -7.482 31 2HB ARG 4 1HB ARG 4 -16.539 11.063 -7.948 32 1HG ARG 4 2HG ARG 4 -17.293 13.278 -9.850 33 2HG ARG 4 1HG ARG 4 -16.032 13.508 -8.640 34 1HD ARG 4 2HD ARG 4 -15.867 11.005 -10.226 35 2HD ARG 4 1HD ARG 4 -15.541 12.499 -11.104 36 HE ARG 4 HE ARG 4 -14.109 12.164 -8.545 37 1HH1 ARG 4 1HH2 ARG 4 -12.967 14.062 -10.364 38 2HH1 ARG 4 2HH2 ARG 4 -11.776 13.163 -11.243 39 1HH2 ARG 4 2HH1 ARG 4 -13.085 10.071 -10.374 40 2HH2 ARG 4 1HH1 ARG 4 -11.842 10.903 -11.248 41 H ILE 5 H ILE 5 -18.207 8.644 -9.943 42 HA ILE 5 HA ILE 5 -18.670 7.385 -7.324 43 HB ILE 5 HB ILE 5 -20.585 7.045 -9.646 44 1HG1 ILE 5 2HG1 ILE 5 -22.154 7.588 -7.563 45 2HG1 ILE 5 1HG1 ILE 5 -20.691 8.370 -6.962 46 1HG2 ILE 5 1HG2 ILE 5 -20.297 5.528 -7.039 47 2HG2 ILE 5 3HG2 ILE 5 -21.729 5.443 -8.065 48 3HG2 ILE 5 2HG2 ILE 5 -20.174 4.872 -8.671 49 1HD1 ILE 5 2HD1 ILE 5 -20.916 9.127 -9.675 50 2HD1 ILE 5 1HD1 ILE 5 -22.530 9.296 -8.986 51 3HD1 ILE 5 3HD1 ILE 5 -21.168 10.146 -8.258 52 H THR 6 H THR 6 -17.728 5.339 -7.260 53 HA THR 6 HA THR 6 -15.852 4.631 -9.294 54 HB THR 6 HB THR 6 -16.993 2.613 -7.373 55 HG1 THR 6 HG1 THR 6 -16.661 4.144 -5.940 56 1HG2 THR 6 1HG2 THR 6 -15.054 2.302 -9.138 57 2HG2 THR 6 3HG2 THR 6 -14.094 3.137 -7.917 58 3HG2 THR 6 2HG2 THR 6 -14.899 1.620 -7.519 59 H LEU 7 H LEU 7 -15.920 2.757 -10.727 60 HA LEU 7 HA LEU 7 -18.309 2.523 -12.243 61 1HB LEU 7 2HB LEU 7 -16.182 1.976 -13.252 62 2HB LEU 7 1HB LEU 7 -15.873 0.729 -12.047 63 HG LEU 7 HG LEU 7 -17.744 -0.598 -12.878 64 1HD1 LEU 7 2HD1 LEU 7 -19.133 1.401 -13.537 65 2HD1 LEU 7 1HD1 LEU 7 -18.112 1.569 -14.967 66 3HD1 LEU 7 3HD1 LEU 7 -19.098 0.122 -14.752 67 1HD2 LEU 7 1HD2 LEU 7 -15.630 0.363 -14.766 68 2HD2 LEU 7 3HD2 LEU 7 -15.881 -1.247 -14.091 69 3HD2 LEU 7 2HD2 LEU 7 -16.903 -0.675 -15.410 70 H LYS 8 H LYS 8 -17.417 1.091 -9.269 71 HA LYS 8 HA LYS 8 -19.220 -1.222 -9.604 72 1HB LYS 8 2HB LYS 8 -18.434 -1.904 -7.412 73 2HB LYS 8 1HB LYS 8 -17.043 -1.422 -8.382 74 1HG LYS 8 2HG LYS 8 -16.971 0.749 -7.301 75 2HG LYS 8 1HG LYS 8 -18.464 0.406 -6.427 76 1HD LYS 8 2HD LYS 8 -16.307 0.073 -5.103 77 2HD LYS 8 1HD LYS 8 -17.415 -1.299 -5.117 78 1HE LYS 8 2HE LYS 8 -16.097 -2.501 -6.663 79 2HE LYS 8 1HE LYS 8 -15.214 -1.060 -7.165 80 1HZ LYS 8 3HZ LYS 8 -15.050 -1.798 -4.351 81 2HZ LYS 8 2HZ LYS 8 -14.232 -2.800 -5.452 82 3HZ LYS 8 1HZ LYS 8 -13.865 -1.144 -5.371 83 H ASP 9 H ASP 9 -19.113 1.876 -7.912 84 HA ASP 9 HA ASP 9 -21.592 1.346 -6.451 85 1HB ASP 9 2HB ASP 9 -19.776 3.720 -6.793 86 2HB ASP 9 1HB ASP 9 -21.385 3.940 -6.103 87 OH TYR 10 OH TYR 10 -24.922 4.979 -16.081 88 H TYR 10 H TYR 10 -20.699 2.663 -9.537 89 HA TYR 10 HA TYR 10 -23.284 3.988 -9.960 90 1HB TYR 10 2HB TYR 10 -21.409 4.997 -11.058 91 2HB TYR 10 1HB TYR 10 -20.884 3.454 -11.727 92 HD1 TYR 10 HD2 TYR 10 -24.139 5.333 -11.606 93 HD2 TYR 10 HD1 TYR 10 -21.221 3.306 -14.019 94 HE1 TYR 10 HE2 TYR 10 -25.524 5.738 -13.623 95 HE2 TYR 10 HE1 TYR 10 -22.603 3.718 -16.035 96 HH TYR 10 HH TYR 10 -24.475 5.635 -16.621 97 H ALA 11 H ALA 11 -21.707 0.954 -10.781 98 HA ALA 11 HA ALA 11 -23.803 0.106 -12.618 99 1HB ALA 11 2HB ALA 11 -21.229 -0.696 -12.196 100 2HB ALA 11 1HB ALA 11 -22.116 -1.962 -11.346 101 3HB ALA 11 3HB ALA 11 -22.430 -1.659 -13.055 102 H MET 12 H MET 12 -23.110 -0.308 -9.174 103 HA MET 12 HA MET 12 -25.329 -2.229 -8.887 104 1HB MET 12 2HB MET 12 -23.009 -1.506 -7.352 105 2HB MET 12 1HB MET 12 -24.447 -1.341 -6.344 106 1HG MET 12 2HG MET 12 -24.227 -3.777 -8.060 107 2HG MET 12 1HG MET 12 -23.214 -3.692 -6.619 108 1HE MET 12 3HE MET 12 -24.040 -5.527 -5.440 109 2HE MET 12 2HE MET 12 -24.047 -4.232 -4.244 110 3HE MET 12 1HE MET 12 -25.381 -5.379 -4.294 111 NH1 ARG 13 NH1 ARG 13 -26.880 3.662 -2.065 112 NH2 ARG 13 NH2 ARG 13 -28.698 4.197 -3.296 113 H ARG 13 H ARG 13 -24.575 1.098 -7.865 114 HA ARG 13 HA ARG 13 -27.119 1.497 -6.553 115 1HB ARG 13 2HB ARG 13 -25.180 3.542 -7.679 116 2HB ARG 13 1HB ARG 13 -26.510 3.890 -6.574 117 1HG ARG 13 2HG ARG 13 -24.925 1.729 -5.513 118 2HG ARG 13 1HG ARG 13 -23.879 3.098 -5.890 119 1HD ARG 13 2HD ARG 13 -24.901 3.129 -3.562 120 2HD ARG 13 1HD ARG 13 -25.178 4.581 -4.523 121 HE ARG 13 HE ARG 13 -27.372 2.909 -5.026 122 1HH1 ARG 13 2HH1 ARG 13 -25.947 3.306 -2.007 123 2HH1 ARG 13 1HH1 ARG 13 -27.351 3.965 -1.238 124 1HH2 ARG 13 1HH2 ARG 13 -29.160 4.252 -4.182 125 2HH2 ARG 13 2HH2 ARG 13 -29.168 4.502 -2.468 126 H PHE 14 H PHE 14 -26.049 1.701 -9.870 127 HA PHE 14 HA PHE 14 -28.739 2.795 -10.592 128 1HB PHE 14 2HB PHE 14 -26.209 2.982 -12.248 129 2HB PHE 14 1HB PHE 14 -27.749 3.784 -12.560 130 HD1 PHE 14 HD2 PHE 14 -25.144 3.470 -9.876 131 HD2 PHE 14 HD1 PHE 14 -28.068 5.965 -11.794 132 HE1 PHE 14 HE2 PHE 14 -24.448 5.381 -8.455 133 HE2 PHE 14 HE1 PHE 14 -27.371 7.874 -10.373 134 HZ PHE 14 HZ PHE 14 -25.561 7.582 -8.704 135 H GLY 15 H GLY 15 -26.208 0.469 -11.443 136 1HA GLY 15 2HA GLY 15 -27.380 -1.803 -11.985 137 2HA GLY 15 1HA GLY 15 -28.136 -0.873 -13.279 138 H GLN 16 H GLN 16 -26.064 -3.159 -13.196 139 HA GLN 16 HA GLN 16 -23.683 -1.950 -14.392 140 1HB GLN 16 2HB GLN 16 -24.483 -4.872 -14.415 141 2HB GLN 16 1HB GLN 16 -22.861 -4.201 -14.588 142 1HG GLN 16 2HG GLN 16 -22.722 -3.603 -12.327 143 2HG GLN 16 1HG GLN 16 -24.473 -3.611 -12.119 144 1HE2 GLN 16 2HE2 GLN 16 -24.599 -7.255 -11.946 145 2HE2 GLN 16 1HE2 GLN 16 -25.449 -5.964 -12.649 146 H THR 17 H THR 17 -26.735 -3.174 -15.502 147 HA THR 17 HA THR 17 -25.943 -3.751 -18.218 148 HB THR 17 HB THR 17 -28.708 -2.794 -17.609 149 HG1 THR 17 HG1 THR 17 -27.604 -5.233 -16.676 150 1HG2 THR 17 2HG2 THR 17 -27.361 -4.893 -19.279 151 2HG2 THR 17 1HG2 THR 17 -29.065 -5.075 -18.861 152 3HG2 THR 17 3HG2 THR 17 -28.525 -3.660 -19.765 153 H LYS 18 H LYS 18 -27.073 -0.850 -16.543 154 HA LYS 18 HA LYS 18 -27.186 0.706 -19.025 155 1HB LYS 18 2HB LYS 18 -27.522 2.640 -17.404 156 2HB LYS 18 1HB LYS 18 -28.736 1.364 -17.317 157 1HG LYS 18 2HG LYS 18 -27.706 0.409 -15.361 158 2HG LYS 18 1HG LYS 18 -26.299 1.461 -15.523 159 1HD LYS 18 2HD LYS 18 -27.715 2.391 -13.804 160 2HD LYS 18 1HD LYS 18 -27.846 3.433 -15.222 161 1HE LYS 18 2HE LYS 18 -30.005 2.745 -15.699 162 2HE LYS 18 1HE LYS 18 -29.777 1.163 -14.954 163 1HZ LYS 18 3HZ LYS 18 -29.440 2.930 -12.904 164 2HZ LYS 18 2HZ LYS 18 -30.723 3.597 -13.794 165 3HZ LYS 18 1HZ LYS 18 -30.830 2.007 -13.207 166 H THR 19 H THR 19 -24.892 0.112 -16.434 167 HA THR 19 HA THR 19 -23.140 2.321 -17.121 168 HB THR 19 HB THR 19 -22.428 -0.245 -15.670 169 HG1 THR 19 HG1 THR 19 -22.783 1.468 -13.883 170 1HG2 THR 19 3HG2 THR 19 -21.209 2.524 -15.769 171 2HG2 THR 19 2HG2 THR 19 -20.770 1.312 -14.568 172 3HG2 THR 19 1HG2 THR 19 -20.465 1.009 -16.278 173 H ALA 20 H ALA 20 -23.530 -0.996 -18.185 174 HA ALA 20 HA ALA 20 -20.998 -1.047 -19.648 175 1HB ALA 20 2HB ALA 20 -23.429 -2.861 -19.740 176 2HB ALA 20 1HB ALA 20 -21.927 -3.165 -20.613 177 3HB ALA 20 3HB ALA 20 -21.935 -3.152 -18.850 178 H LYS 21 H LYS 21 -24.324 -0.161 -20.280 179 HA LYS 21 HA LYS 21 -24.017 -0.102 -23.180 180 1HB LYS 21 2HB LYS 21 -26.142 0.387 -21.230 181 2HB LYS 21 1HB LYS 21 -26.152 1.567 -22.541 182 1HG LYS 21 2HG LYS 21 -25.673 -0.905 -23.788 183 2HG LYS 21 1HG LYS 21 -26.932 -1.227 -22.594 184 1HD LYS 21 2HD LYS 21 -28.453 -0.229 -23.913 185 2HD LYS 21 1HD LYS 21 -27.524 1.270 -23.856 186 1HE LYS 21 2HE LYS 21 -27.262 -0.996 -25.841 187 2HE LYS 21 1HE LYS 21 -27.669 0.689 -26.169 188 1HZ LYS 21 2HZ LYS 21 -25.273 0.781 -24.841 189 2HZ LYS 21 1HZ LYS 21 -25.109 -0.531 -25.909 190 3HZ LYS 21 3HZ LYS 21 -25.514 1.002 -26.509 191 H ASP 22 H ASP 22 -23.764 2.203 -20.520 192 HA ASP 22 HA ASP 22 -23.479 4.531 -22.225 193 1HB ASP 22 2HB ASP 22 -23.046 3.940 -19.314 194 2HB ASP 22 1HB ASP 22 -22.394 5.431 -19.994 195 H LEU 23 H LEU 23 -21.259 2.219 -20.753 196 HA LEU 23 HA LEU 23 -18.919 3.721 -21.757 197 1HB LEU 23 2HB LEU 23 -19.269 1.237 -20.078 198 2HB LEU 23 1HB LEU 23 -17.695 1.686 -20.739 199 HG LEU 23 HG LEU 23 -19.154 3.894 -19.429 200 1HD1 LEU 23 1HD1 LEU 23 -18.439 1.357 -18.002 201 2HD1 LEU 23 3HD1 LEU 23 -18.179 2.894 -17.176 202 3HD1 LEU 23 2HD1 LEU 23 -19.795 2.452 -17.727 203 1HD2 LEU 23 1HD2 LEU 23 -16.389 2.854 -19.777 204 2HD2 LEU 23 3HD2 LEU 23 -16.989 4.507 -19.890 205 3HD2 LEU 23 2HD2 LEU 23 -16.699 3.780 -18.309 206 H GLY 24 H GLY 24 -21.028 1.235 -22.804 207 1HA GLY 24 2HA GLY 24 -21.038 0.090 -24.866 208 2HA GLY 24 1HA GLY 24 -19.544 0.927 -25.288 209 H VAL 25 H VAL 25 -19.620 -0.726 -22.255 210 HA VAL 25 HA VAL 25 -17.705 -2.722 -23.353 211 HB VAL 25 HB VAL 25 -18.221 -2.604 -20.428 212 1HG1 VAL 25 3HG1 VAL 25 -16.459 -4.005 -21.506 213 2HG1 VAL 25 2HG1 VAL 25 -15.684 -2.534 -22.090 214 3HG1 VAL 25 1HG1 VAL 25 -15.793 -2.846 -20.358 215 1HG2 VAL 25 2HG2 VAL 25 -16.866 -0.344 -21.939 216 2HG2 VAL 25 1HG2 VAL 25 -18.337 -0.217 -20.974 217 3HG2 VAL 25 3HG2 VAL 25 -16.797 -0.568 -20.190 218 OH TYR 26 OH TYR 26 -14.985 -6.081 -26.218 219 H TYR 26 H TYR 26 -17.902 -4.955 -22.174 220 HA TYR 26 HA TYR 26 -20.669 -5.868 -22.589 221 1HB TYR 26 2HB TYR 26 -18.623 -7.769 -21.580 222 2HB TYR 26 1HB TYR 26 -19.783 -7.960 -22.892 223 HD1 TYR 26 HD1 TYR 26 -19.201 -5.584 -24.558 224 HD2 TYR 26 HD2 TYR 26 -16.538 -8.284 -22.544 225 HE1 TYR 26 HE1 TYR 26 -17.421 -5.056 -26.204 226 HE2 TYR 26 HE2 TYR 26 -14.758 -7.759 -24.188 227 HH TYR 26 HH TYR 26 -15.408 -5.805 -27.034 228 H GLN 27 H GLN 27 -21.701 -7.301 -20.943 229 HA GLN 27 HA GLN 27 -21.752 -6.051 -18.360 230 1HB GLN 27 2HB GLN 27 -22.795 -8.769 -19.219 231 2HB GLN 27 1HB GLN 27 -23.220 -7.942 -17.718 232 1HG GLN 27 2HG GLN 27 -24.090 -6.029 -19.073 233 2HG GLN 27 1HG GLN 27 -23.776 -6.966 -20.534 234 1HE2 GLN 27 2HE2 GLN 27 -27.263 -7.779 -19.885 235 2HE2 GLN 27 1HE2 GLN 27 -26.317 -6.559 -20.592 236 H SER 28 H SER 28 -20.178 -8.962 -19.605 237 HA SER 28 HA SER 28 -19.213 -9.869 -17.038 238 1HB SER 28 2HB SER 28 -19.316 -11.001 -19.501 239 2HB SER 28 1HB SER 28 -17.625 -10.508 -19.464 240 HG SER 28 HG SER 28 -17.549 -11.563 -17.363 241 H ALA 29 H ALA 29 -18.396 -7.204 -18.941 242 HA ALA 29 HA ALA 29 -15.559 -7.151 -18.118 243 1HB ALA 29 2HB ALA 29 -16.526 -6.260 -20.368 244 2HB ALA 29 1HB ALA 29 -17.049 -4.871 -19.416 245 3HB ALA 29 3HB ALA 29 -15.334 -5.267 -19.526 246 H ILE 30 H ILE 30 -18.656 -5.743 -17.311 247 HA ILE 30 HA ILE 30 -17.557 -3.786 -15.448 248 HB ILE 30 HB ILE 30 -20.385 -4.859 -15.683 249 1HG1 ILE 30 2HG1 ILE 30 -19.497 -3.900 -17.817 250 2HG1 ILE 30 1HG1 ILE 30 -20.816 -2.947 -17.138 251 1HG2 ILE 30 1HG2 ILE 30 -19.458 -3.465 -13.632 252 2HG2 ILE 30 3HG2 ILE 30 -19.651 -2.115 -14.748 253 3HG2 ILE 30 2HG2 ILE 30 -21.043 -3.109 -14.321 254 1HD1 ILE 30 2HD1 ILE 30 -18.140 -2.167 -16.178 255 2HD1 ILE 30 1HD1 ILE 30 -18.396 -1.911 -17.904 256 3HD1 ILE 30 3HD1 ILE 30 -19.476 -1.158 -16.731 257 H ASN 31 H ASN 31 -18.870 -7.052 -15.314 258 HA ASN 31 HA ASN 31 -18.928 -7.186 -12.414 259 1HB ASN 31 2HB ASN 31 -20.083 -8.692 -14.317 260 2HB ASN 31 1HB ASN 31 -18.643 -9.672 -14.036 261 1HD2 ASN 31 2HD2 ASN 31 -20.967 -10.984 -11.546 262 2HD2 ASN 31 1HD2 ASN 31 -20.647 -11.110 -13.208 263 H LYS 32 H LYS 32 -16.625 -8.197 -14.941 264 HA LYS 32 HA LYS 32 -14.781 -9.450 -13.123 265 1HB LYS 32 2HB LYS 32 -13.205 -9.401 -14.962 266 2HB LYS 32 1HB LYS 32 -14.798 -9.788 -15.614 267 1HG LYS 32 2HG LYS 32 -15.131 -7.508 -16.334 268 2HG LYS 32 1HG LYS 32 -13.657 -6.988 -15.516 269 1HD LYS 32 2HD LYS 32 -12.449 -8.716 -17.018 270 2HD LYS 32 1HD LYS 32 -13.924 -8.703 -17.984 271 1HE LYS 32 2HE LYS 32 -13.506 -6.630 -18.819 272 2HE LYS 32 1HE LYS 32 -12.917 -6.024 -17.271 273 1HZ LYS 32 3HZ LYS 32 -11.060 -7.876 -18.079 274 2HZ LYS 32 2HZ LYS 32 -11.445 -7.016 -19.493 275 3HZ LYS 32 1HZ LYS 32 -10.888 -6.190 -18.117 276 H ALA 33 H ALA 33 -15.252 -6.142 -14.220 277 HA ALA 33 HA ALA 33 -12.763 -5.107 -13.201 278 1HB ALA 33 1HB ALA 33 -15.379 -3.920 -14.058 279 2HB ALA 33 3HB ALA 33 -14.246 -2.914 -13.156 280 3HB ALA 33 2HB ALA 33 -13.760 -3.628 -14.693 281 H ILE 34 H ILE 34 -16.002 -5.493 -11.826 282 HA ILE 34 HA ILE 34 -15.258 -4.207 -9.307 283 HB ILE 34 HB ILE 34 -17.671 -5.794 -10.211 284 1HG1 ILE 34 2HG1 ILE 34 -17.871 -3.029 -9.172 285 2HG1 ILE 34 1HG1 ILE 34 -16.969 -3.196 -10.678 286 1HG2 ILE 34 3HG2 ILE 34 -17.144 -4.512 -7.511 287 2HG2 ILE 34 2HG2 ILE 34 -18.687 -5.187 -8.032 288 3HG2 ILE 34 1HG2 ILE 34 -17.290 -6.242 -7.821 289 1HD1 ILE 34 1HD1 ILE 34 -19.377 -4.817 -10.729 290 2HD1 ILE 34 3HD1 ILE 34 -19.760 -3.128 -10.398 291 3HD1 ILE 34 2HD1 ILE 34 -18.858 -3.558 -11.851 292 H HIS 35 H HIS 35 -15.081 -7.383 -10.672 293 HA HIS 35 HA HIS 35 -14.940 -8.802 -8.130 294 1HB HIS 35 2HB HIS 35 -14.412 -9.513 -11.008 295 2HB HIS 35 1HB HIS 35 -13.930 -10.613 -9.717 296 HD1 HIS 35 HD1 HIS 35 -15.828 -12.229 -10.749 297 HD2 HIS 35 HD2 HIS 35 -17.210 -8.739 -8.938 298 HE1 HIS 35 HE1 HIS 35 -18.303 -12.571 -10.331 299 H ALA 36 H ALA 36 -12.734 -7.050 -10.147 300 HA ALA 36 HA ALA 36 -10.355 -8.282 -8.912 301 1HB ALA 36 2HB ALA 36 -10.678 -7.299 -11.370 302 2HB ALA 36 1HB ALA 36 -10.193 -5.801 -10.574 303 3HB ALA 36 3HB ALA 36 -9.122 -7.203 -10.545 304 H GLY 37 H GLY 37 -12.514 -5.709 -8.278 305 1HA GLY 37 2HA GLY 37 -12.486 -4.022 -6.647 306 2HA GLY 37 1HA GLY 37 -11.244 -4.978 -5.838 307 NH1 ARG 38 NH2 ARG 38 -7.830 -5.812 -14.446 308 NH2 ARG 38 NH1 ARG 38 -6.097 -6.941 -13.534 309 H ARG 38 H ARG 38 -10.538 -4.084 -9.083 310 HA ARG 38 HA ARG 38 -8.176 -2.654 -8.360 311 1HB ARG 38 2HB ARG 38 -9.787 -2.776 -10.916 312 2HB ARG 38 1HB ARG 38 -8.298 -1.839 -10.787 313 1HG ARG 38 2HG ARG 38 -6.980 -3.758 -10.404 314 2HG ARG 38 1HG ARG 38 -8.380 -4.739 -9.968 315 1HD ARG 38 2HD ARG 38 -8.997 -5.086 -12.165 316 2HD ARG 38 1HD ARG 38 -8.328 -3.546 -12.705 317 HE ARG 38 HE ARG 38 -6.067 -4.918 -12.046 318 1HH1 ARG 38 1HH2 ARG 38 -8.481 -5.053 -14.417 319 2HH1 ARG 38 2HH2 ARG 38 -7.855 -6.464 -15.204 320 1HH2 ARG 38 2HH1 ARG 38 -5.420 -7.048 -12.805 321 2HH2 ARG 38 1HH1 ARG 38 -6.121 -7.592 -14.293 322 H LYS 39 H LYS 39 -7.785 -0.300 -8.938 323 HA LYS 39 HA LYS 39 -9.936 1.329 -7.760 324 1HB LYS 39 2HB LYS 39 -7.201 2.155 -8.782 325 2HB LYS 39 1HB LYS 39 -8.288 3.144 -7.807 326 1HG LYS 39 2HG LYS 39 -7.202 0.461 -6.908 327 2HG LYS 39 1HG LYS 39 -6.468 2.007 -6.480 328 1HD LYS 39 2HD LYS 39 -9.398 1.642 -5.991 329 2HD LYS 39 1HD LYS 39 -8.260 0.874 -4.884 330 1HE LYS 39 2HE LYS 39 -7.568 3.655 -5.538 331 2HE LYS 39 1HE LYS 39 -9.112 3.489 -4.702 332 1HZ LYS 39 3HZ LYS 39 -7.332 1.772 -3.451 333 2HZ LYS 39 2HZ LYS 39 -6.501 3.240 -3.663 334 3HZ LYS 39 1HZ LYS 39 -7.984 3.210 -2.834 335 H ILE 40 H ILE 40 -11.368 0.855 -9.618 336 HA ILE 40 HA ILE 40 -10.733 2.558 -11.990 337 HB ILE 40 HB ILE 40 -12.969 0.531 -11.864 338 1HG1 ILE 40 2HG1 ILE 40 -10.094 0.009 -12.693 339 2HG1 ILE 40 1HG1 ILE 40 -10.835 -0.586 -11.206 340 1HG2 ILE 40 3HG2 ILE 40 -12.541 2.347 -13.720 341 2HG2 ILE 40 2HG2 ILE 40 -11.274 1.238 -14.243 342 3HG2 ILE 40 1HG2 ILE 40 -12.952 0.698 -14.193 343 1HD1 ILE 40 1HD1 ILE 40 -11.870 -1.189 -13.991 344 2HD1 ILE 40 3HD1 ILE 40 -10.853 -2.279 -13.049 345 3HD1 ILE 40 2HD1 ILE 40 -12.469 -1.865 -12.477 346 H PHE 41 H PHE 41 -11.408 4.531 -11.129 347 HA PHE 41 HA PHE 41 -14.008 4.794 -9.827 348 1HB PHE 41 2HB PHE 41 -12.350 7.083 -10.868 349 2HB PHE 41 1HB PHE 41 -13.388 7.028 -9.441 350 HD1 PHE 41 HD2 PHE 41 -12.393 4.190 -8.575 351 HD2 PHE 41 HD1 PHE 41 -10.357 7.824 -9.637 352 HE1 PHE 41 HE2 PHE 41 -10.460 3.518 -7.181 353 HE2 PHE 41 HE1 PHE 41 -8.426 7.148 -8.240 354 HZ PHE 41 HZ PHE 41 -8.477 4.995 -7.012 355 H LEU 42 H LEU 42 -15.671 6.326 -10.699 356 HA LEU 42 HA LEU 42 -15.714 6.321 -13.691 357 1HB LEU 42 2HB LEU 42 -17.291 4.730 -12.069 358 2HB LEU 42 1HB LEU 42 -18.336 6.112 -12.395 359 HG LEU 42 HG LEU 42 -17.799 5.830 -14.848 360 1HD1 LEU 42 3HD1 LEU 42 -15.818 4.137 -13.880 361 2HD1 LEU 42 2HD1 LEU 42 -17.034 3.029 -14.514 362 3HD1 LEU 42 1HD1 LEU 42 -16.337 4.262 -15.561 363 1HD2 LEU 42 3HD2 LEU 42 -19.765 4.749 -13.429 364 2HD2 LEU 42 2HD2 LEU 42 -19.536 4.309 -15.121 365 3HD2 LEU 42 1HD2 LEU 42 -18.942 3.247 -13.846 366 H THR 43 H THR 43 -15.450 8.502 -14.099 367 HA THR 43 HA THR 43 -16.999 10.455 -12.475 368 HB THR 43 HB THR 43 -14.744 10.749 -14.475 369 HG1 THR 43 HG1 THR 43 -13.628 10.825 -12.719 370 1HG2 THR 43 1HG2 THR 43 -16.484 12.864 -13.189 371 2HG2 THR 43 3HG2 THR 43 -14.899 13.211 -13.879 372 3HG2 THR 43 2HG2 THR 43 -16.197 12.607 -14.910 373 H ILE 44 H ILE 44 -19.100 10.417 -13.294 374 HA ILE 44 HA ILE 44 -19.520 10.372 -16.212 375 HB ILE 44 HB ILE 44 -21.780 10.902 -14.339 376 1HG1 ILE 44 2HG1 ILE 44 -21.586 8.150 -14.269 377 2HG1 ILE 44 1HG1 ILE 44 -19.906 8.645 -14.066 378 1HG2 ILE 44 1HG2 ILE 44 -21.237 9.581 -16.934 379 2HG2 ILE 44 3HG2 ILE 44 -22.447 8.791 -15.923 380 3HG2 ILE 44 2HG2 ILE 44 -22.660 10.475 -16.401 381 1HD1 ILE 44 2HD1 ILE 44 -21.166 10.407 -12.404 382 2HD1 ILE 44 1HD1 ILE 44 -22.205 8.992 -12.242 383 3HD1 ILE 44 3HD1 ILE 44 -20.485 8.868 -11.874 384 H ASN 45 H ASN 45 -19.100 12.307 -17.210 385 HA ASN 45 HA ASN 45 -19.208 14.864 -15.990 386 1HB ASN 45 2HB ASN 45 -19.321 13.927 -18.846 387 2HB ASN 45 1HB ASN 45 -19.539 15.634 -18.463 388 1HD2 ASN 45 2HD2 ASN 45 -15.928 14.026 -17.306 389 2HD2 ASN 45 1HD2 ASN 45 -17.345 13.122 -17.067 390 H ALA 46 H ALA 46 -20.820 16.385 -15.825 391 HA ALA 46 HA ALA 46 -23.472 15.678 -15.403 392 1HB ALA 46 2HB ALA 46 -22.121 17.988 -15.166 393 2HB ALA 46 1HB ALA 46 -23.028 18.353 -16.634 394 3HB ALA 46 3HB ALA 46 -23.884 17.923 -15.154 395 H ASP 47 H ASP 47 -21.893 16.088 -18.474 396 HA ASP 47 HA ASP 47 -24.415 16.385 -19.953 397 1HB ASP 47 2HB ASP 47 -21.867 17.127 -20.527 398 2HB ASP 47 1HB ASP 47 -21.945 15.593 -21.392 399 H GLY 48 H GLY 48 -24.083 13.989 -18.256 400 1HA GLY 48 2HA GLY 48 -24.477 11.684 -18.393 401 2HA GLY 48 1HA GLY 48 -25.135 12.016 -19.997 402 H SER 49 H SER 49 -21.863 12.946 -19.302 403 HA SER 49 HA SER 49 -20.928 10.997 -21.325 404 1HB SER 49 2HB SER 49 -20.173 13.623 -20.597 405 2HB SER 49 1HB SER 49 -18.816 12.588 -20.162 406 HG SER 49 HG SER 49 -19.686 13.359 -22.598 407 H VAL 50 H VAL 50 -19.279 9.450 -20.873 408 HA VAL 50 HA VAL 50 -19.046 8.793 -17.970 409 HB VAL 50 HB VAL 50 -18.529 6.997 -20.359 410 1HG1 VAL 50 3HG1 VAL 50 -18.350 6.725 -17.407 411 2HG1 VAL 50 2HG1 VAL 50 -19.107 5.381 -18.261 412 3HG1 VAL 50 1HG1 VAL 50 -17.464 5.872 -18.671 413 1HG2 VAL 50 2HG2 VAL 50 -20.990 7.973 -19.398 414 2HG2 VAL 50 1HG2 VAL 50 -20.748 6.600 -20.479 415 3HG2 VAL 50 3HG2 VAL 50 -20.845 6.345 -18.736 416 OH TYR 51 OH TYR 51 -9.241 11.802 -17.874 417 H TYR 51 H TYR 51 -17.085 9.056 -17.034 418 HA TYR 51 HA TYR 51 -14.661 9.023 -18.775 419 1HB TYR 51 2HB TYR 51 -15.347 11.380 -18.266 420 2HB TYR 51 1HB TYR 51 -15.178 11.020 -16.548 421 HD1 TYR 51 HD2 TYR 51 -13.366 11.358 -19.758 422 HD2 TYR 51 HD1 TYR 51 -13.007 10.791 -15.515 423 HE1 TYR 51 HE2 TYR 51 -10.930 11.805 -19.904 424 HE2 TYR 51 HE1 TYR 51 -10.572 11.239 -15.661 425 HH TYR 51 HH TYR 51 -9.116 12.576 -18.426 426 H ALA 52 H ALA 52 -14.657 6.784 -17.801 427 HA ALA 52 HA ALA 52 -14.138 6.559 -14.934 428 1HB ALA 52 1HB ALA 52 -15.046 4.811 -16.830 429 2HB ALA 52 3HB ALA 52 -13.361 4.313 -16.686 430 3HB ALA 52 2HB ALA 52 -14.402 4.321 -15.263 431 H GLU 53 H GLU 53 -12.121 6.078 -13.975 432 HA GLU 53 HA GLU 53 -9.723 6.187 -15.736 433 1HB GLU 53 2HB GLU 53 -10.586 8.226 -13.799 434 2HB GLU 53 1HB GLU 53 -8.929 7.673 -13.560 435 1HG GLU 53 2HG GLU 53 -9.270 7.978 -16.354 436 2HG GLU 53 1HG GLU 53 -9.965 9.417 -15.608 437 H GLU 54 H GLU 54 -7.750 5.581 -14.501 438 HA GLU 54 HA GLU 54 -8.410 3.663 -12.300 439 1HB GLU 54 2HB GLU 54 -7.616 2.750 -14.624 440 2HB GLU 54 1HB GLU 54 -6.028 3.318 -14.109 441 1HG GLU 54 2HG GLU 54 -5.782 1.462 -12.862 442 2HG GLU 54 1HG GLU 54 -7.180 1.943 -11.900 443 H VAL 55 H VAL 55 -7.133 3.847 -10.460 444 HA VAL 55 HA VAL 55 -4.634 5.381 -10.552 445 HB VAL 55 HB VAL 55 -6.395 6.518 -8.500 446 1HG1 VAL 55 1HG1 VAL 55 -4.100 7.193 -9.963 447 2HG1 VAL 55 3HG1 VAL 55 -5.337 8.318 -10.524 448 3HG1 VAL 55 2HG1 VAL 55 -4.948 8.221 -8.806 449 1HG2 VAL 55 2HG2 VAL 55 -8.084 6.166 -10.292 450 2HG2 VAL 55 1HG2 VAL 55 -7.749 7.878 -10.038 451 3HG2 VAL 55 3HG2 VAL 55 -7.047 7.038 -11.421 452 H LYS 56 H LYS 56 -3.423 3.930 -9.438 453 HA LYS 56 HA LYS 56 -4.183 3.327 -6.662 454 1HB LYS 56 2HB LYS 56 -5.278 1.513 -7.835 455 2HB LYS 56 1HB LYS 56 -3.824 1.185 -8.773 456 1HG LYS 56 2HG LYS 56 -3.694 -0.431 -7.077 457 2HG LYS 56 1HG LYS 56 -2.697 0.872 -6.427 458 1HD LYS 56 2HD LYS 56 -4.839 1.735 -5.305 459 2HD LYS 56 1HD LYS 56 -5.543 0.166 -5.701 460 1HE LYS 56 2HE LYS 56 -3.208 0.768 -3.889 461 2HE LYS 56 1HE LYS 56 -4.679 -0.132 -3.521 462 1HZ LYS 56 3HZ LYS 56 -3.886 -1.729 -5.316 463 2HZ LYS 56 2HZ LYS 56 -2.373 -0.968 -5.168 464 3HZ LYS 56 1HZ LYS 56 -3.064 -1.758 -3.832 465 HA PRO 57 HA PRO 57 0.240 3.832 -6.621 466 1HB PRO 57 2HB PRO 57 0.512 3.625 -3.892 467 2HB PRO 57 1HB PRO 57 -0.040 5.093 -4.716 468 1HG PRO 57 2HG PRO 57 -1.623 3.113 -3.147 469 2HG PRO 57 1HG PRO 57 -1.948 4.829 -3.441 470 1HD PRO 57 2HD PRO 57 -3.197 2.656 -4.758 471 2HD PRO 57 1HD PRO 57 -3.263 4.360 -5.260 472 H PHE 58 H PHE 58 2.130 2.533 -5.997 473 HA PHE 58 HA PHE 58 1.559 -0.351 -6.074 474 1HB PHE 58 2HB PHE 58 3.747 1.388 -6.809 475 2HB PHE 58 1HB PHE 58 4.336 0.098 -5.763 476 HD1 PHE 58 HD2 PHE 58 1.459 -0.010 -8.134 477 HD2 PHE 58 HD1 PHE 58 5.452 -1.345 -7.280 478 HE1 PHE 58 HE2 PHE 58 1.333 -1.603 -10.032 479 HE2 PHE 58 HE1 PHE 58 5.325 -2.937 -9.177 480 HZ PHE 58 HZ PHE 58 3.268 -3.066 -10.554 481 HA PRO 59 HA PRO 59 2.947 -2.042 -5.715 482 1HB PRO 59 2HB PRO 59 2.396 -4.330 -4.291 483 2HB PRO 59 1HB PRO 59 4.007 -3.592 -4.374 484 1HG PRO 59 2HG PRO 59 2.054 -3.586 -2.122 485 2HG PRO 59 1HG PRO 59 3.818 -3.435 -2.077 486 1HD PRO 59 2HD PRO 59 1.958 -1.310 -1.823 487 2HD PRO 59 1HD PRO 59 3.707 -1.146 -2.092 488 H SER 60 H SER 60 1.330 -3.823 -6.514 489 HA SER 60 HA SER 60 -1.392 -2.708 -6.235 490 1HB SER 60 2HB SER 60 -1.946 -4.059 -8.161 491 2HB SER 60 1HB SER 60 -0.394 -3.290 -8.480 492 HG SER 60 HG SER 60 -0.251 -5.473 -8.975 493 H ASN 61 H ASN 61 -0.470 -3.976 -3.898 494 HA ASN 61 HA ASN 61 -2.203 -6.415 -3.862 495 1HB ASN 61 2HB ASN 61 0.585 -6.055 -3.033 496 2HB ASN 61 1HB ASN 61 -0.426 -6.734 -1.758 497 1HD2 ASN 61 2HD2 ASN 61 0.598 -9.709 -3.605 498 2HD2 ASN 61 1HD2 ASN 61 1.213 -8.631 -2.448 499 H LYS 62 H LYS 62 -3.558 -4.233 -3.332 500 HA LYS 62 HA LYS 62 -4.873 -3.192 -1.693 501 1HB LYS 62 2HB LYS 62 -4.230 -5.766 -0.677 502 2HB LYS 62 1HB LYS 62 -4.033 -4.626 0.654 503 1HG LYS 62 2HG LYS 62 -6.264 -3.910 0.544 504 2HG LYS 62 1HG LYS 62 -6.464 -4.479 -1.114 505 1HD LYS 62 2HD LYS 62 -7.286 -6.421 -0.334 506 2HD LYS 62 1HD LYS 62 -5.749 -6.732 0.474 507 1HE LYS 62 2HE LYS 62 -7.709 -4.845 1.740 508 2HE LYS 62 1HE LYS 62 -7.965 -6.583 1.892 509 1HZ LYS 62 1HZ LYS 62 -5.249 -5.849 2.371 510 2HZ LYS 62 3HZ LYS 62 -6.308 -5.053 3.431 511 3HZ LYS 62 2HZ LYS 62 -6.312 -6.750 3.343 512 H LYS 63 H LYS 63 -4.619 -1.940 0.433 513 HA LYS 63 HA LYS 63 -1.778 -1.241 0.987 514 1HB LYS 63 2HB LYS 63 -3.034 0.329 -0.712 515 2HB LYS 63 1HB LYS 63 -3.819 0.950 0.740 516 1HG LYS 63 2HG LYS 63 -1.945 2.019 1.433 517 2HG LYS 63 1HG LYS 63 -0.913 0.646 1.032 518 1HD LYS 63 2HD LYS 63 -1.099 1.286 -1.388 519 2HD LYS 63 1HD LYS 63 -1.978 2.733 -0.892 520 1HE LYS 63 2HE LYS 63 0.316 2.668 0.734 521 2HE LYS 63 1HE LYS 63 0.878 2.244 -0.883 522 1HZ LYS 63 2HZ LYS 63 -0.291 4.200 -1.737 523 2HZ LYS 63 1HZ LYS 63 -0.741 4.624 -0.154 524 3HZ LYS 63 3HZ LYS 63 0.896 4.621 -0.597 525 H THR 64 H THR 64 -1.872 0.477 2.933 526 HA THR 64 HA THR 64 -3.835 -0.628 4.903 527 HB THR 64 HB THR 64 -2.183 -0.316 6.624 528 HG1 THR 64 HG1 THR 64 -1.036 1.417 6.269 529 1HG2 THR 64 2HG2 THR 64 -1.940 -2.213 4.810 530 2HG2 THR 64 1HG2 THR 64 -0.480 -1.327 4.373 531 3HG2 THR 64 3HG2 THR 64 -0.666 -1.967 6.005 532 H THR 65 H THR 65 -5.343 0.844 5.492 533 HA THR 65 HA THR 65 -4.619 3.740 5.312 534 HB THR 65 HB THR 65 -7.469 2.944 5.554 535 HG1 THR 65 HG1 THR 65 -7.226 2.695 3.100 536 1HG2 THR 65 3HG2 THR 65 -5.952 5.201 4.812 537 2HG2 THR 65 2HG2 THR 65 -6.738 4.643 3.335 538 3HG2 THR 65 1HG2 THR 65 -7.707 5.034 4.756 539 H ALA 66 HN ALA 66 -5.105 5.080 7.097 540 HA ALA 66 HA ALA 66 -5.472 5.595 9.357 541 1HB ALA 66 3HB ALA 66 -7.573 3.872 8.592 542 2HB ALA 66 2HB ALA 66 -6.990 3.259 10.140 543 3HB ALA 66 1HB ALA 66 -7.528 4.933 10.000 544 1H MET 1 2H MET 1 11.138 19.087 -8.958 545 2H MET 1 1H MET 1 11.530 20.676 -8.504 546 3H MET 1 3H MET 1 12.600 19.785 -9.473 547 HA MET 1 HA MET 1 13.662 19.258 -7.606 548 1HB MET 1 2HB MET 1 11.512 20.846 -6.591 549 2HB MET 1 1HB MET 1 11.699 19.447 -5.532 550 1HG MET 1 2HG MET 1 14.262 20.007 -5.711 551 2HG MET 1 1HG MET 1 13.685 21.606 -6.182 552 1HE MET 1 3HE MET 1 13.941 18.855 -3.713 553 2HE MET 1 2HE MET 1 13.199 19.405 -2.214 554 3HE MET 1 1HE MET 1 12.179 18.916 -3.564 555 H GLU 2 H GLU 2 12.022 17.391 -9.176 556 HA GLU 2 HA GLU 2 11.936 15.210 -7.181 557 1HB GLU 2 2HB GLU 2 9.557 16.059 -8.852 558 2HB GLU 2 1HB GLU 2 9.675 14.486 -8.061 559 1HG GLU 2 2HG GLU 2 10.314 16.129 -5.987 560 2HG GLU 2 1HG GLU 2 9.198 17.161 -6.881 561 H GLN 3 H GLN 3 12.813 13.401 -8.077 562 HA GLN 3 HA GLN 3 13.602 13.413 -10.883 563 1HB GLN 3 2HB GLN 3 14.185 11.843 -8.488 564 2HB GLN 3 1HB GLN 3 13.986 10.825 -9.915 565 1HG GLN 3 2HG GLN 3 16.251 11.379 -10.046 566 2HG GLN 3 1HG GLN 3 15.519 12.618 -11.068 567 1HE2 GLN 3 2HE2 GLN 3 17.456 14.819 -9.011 568 2HE2 GLN 3 1HE2 GLN 3 17.432 14.009 -10.502 569 NH1 ARG 4 NH1 ARG 4 7.002 15.311 -9.604 570 NH2 ARG 4 NH2 ARG 4 5.396 13.727 -9.757 571 H ARG 4 H ARG 4 12.042 13.029 -12.406 572 HA ARG 4 HA ARG 4 9.903 11.056 -11.752 573 1HB ARG 4 2HB ARG 4 9.960 12.878 -14.160 574 2HB ARG 4 1HB ARG 4 8.565 12.110 -13.401 575 1HG ARG 4 2HG ARG 4 10.296 14.222 -12.081 576 2HG ARG 4 1HG ARG 4 8.739 14.538 -12.846 577 1HD ARG 4 2HD ARG 4 8.749 12.329 -10.877 578 2HD ARG 4 1HD ARG 4 9.022 13.937 -10.207 579 HE ARG 4 HE ARG 4 6.685 13.469 -11.997 580 1HH1 ARG 4 2HH1 ARG 4 7.863 15.705 -9.924 581 2HH1 ARG 4 1HH1 ARG 4 6.511 15.736 -8.844 582 1HH2 ARG 4 1HH2 ARG 4 5.028 12.907 -10.194 583 2HH2 ARG 4 2HH2 ARG 4 4.904 14.153 -8.998 584 H ILE 5 H ILE 5 10.104 9.047 -12.613 585 HA ILE 5 HA ILE 5 11.267 8.730 -15.314 586 HB ILE 5 HB ILE 5 12.290 6.846 -13.230 587 1HG1 ILE 5 2HG1 ILE 5 14.302 8.493 -13.060 588 2HG1 ILE 5 1HG1 ILE 5 13.142 9.720 -13.562 589 1HG2 ILE 5 1HG2 ILE 5 13.276 8.034 -15.829 590 2HG2 ILE 5 3HG2 ILE 5 14.322 7.086 -14.773 591 3HG2 ILE 5 2HG2 ILE 5 12.886 6.350 -15.484 592 1HD1 ILE 5 3HD1 ILE 5 12.326 7.875 -11.363 593 2HD1 ILE 5 2HD1 ILE 5 13.516 9.119 -10.982 594 3HD1 ILE 5 1HD1 ILE 5 11.930 9.577 -11.603 595 H THR 6 H THR 6 10.497 6.835 -16.344 596 HA THR 6 HA THR 6 8.044 5.746 -15.213 597 HB THR 6 HB THR 6 9.314 4.428 -17.556 598 HG1 THR 6 HG1 THR 6 8.227 7.030 -17.734 599 1HG2 THR 6 1HG2 THR 6 6.611 5.280 -16.613 600 2HG2 THR 6 3HG2 THR 6 6.871 5.123 -18.351 601 3HG2 THR 6 2HG2 THR 6 7.126 3.736 -17.292 602 H LEU 7 H LEU 7 7.693 3.476 -14.741 603 HA LEU 7 HA LEU 7 9.682 2.270 -13.124 604 1HB LEU 7 2HB LEU 7 7.389 1.604 -12.836 605 2HB LEU 7 1HB LEU 7 7.261 1.101 -14.521 606 HG LEU 7 HG LEU 7 9.075 -0.607 -14.039 607 1HD1 LEU 7 3HD1 LEU 7 9.842 0.600 -11.942 608 2HD1 LEU 7 2HD1 LEU 7 8.385 -0.003 -11.153 609 3HD1 LEU 7 1HD1 LEU 7 9.596 -1.136 -11.752 610 1HD2 LEU 7 2HD2 LEU 7 6.461 -0.758 -12.508 611 2HD2 LEU 7 1HD2 LEU 7 6.738 -1.284 -14.168 612 3HD2 LEU 7 3HD2 LEU 7 7.506 -2.140 -12.832 613 H LYS 8 H LYS 8 9.320 2.314 -16.553 614 HA LYS 8 HA LYS 8 10.959 -0.099 -16.952 615 1HB LYS 8 2HB LYS 8 10.526 0.170 -19.268 616 2HB LYS 8 1HB LYS 8 9.033 0.669 -18.474 617 1HG LYS 8 2HG LYS 8 9.616 3.007 -18.705 618 2HG LYS 8 1HG LYS 8 11.217 2.594 -19.317 619 1HD LYS 8 2HD LYS 8 8.801 1.525 -20.736 620 2HD LYS 8 1HD LYS 8 9.274 3.204 -20.998 621 1HE LYS 8 2HE LYS 8 11.050 2.607 -22.260 622 2HE LYS 8 1HE LYS 8 11.557 1.382 -21.098 623 1HZ LYS 8 2HZ LYS 8 9.175 0.568 -22.371 624 2HZ LYS 8 1HZ LYS 8 10.328 0.981 -23.550 625 3HZ LYS 8 3HZ LYS 8 10.697 -0.187 -22.377 626 H ASP 9 H ASP 9 11.337 3.404 -17.039 627 HA ASP 9 HA ASP 9 13.997 3.312 -18.218 628 1HB ASP 9 2HB ASP 9 12.225 5.397 -17.035 629 2HB ASP 9 1HB ASP 9 13.958 5.728 -17.032 630 OH TYR 10 OH TYR 10 16.329 3.268 -7.636 631 H TYR 10 H TYR 10 12.669 3.119 -14.998 632 HA TYR 10 HA TYR 10 15.231 3.590 -13.658 633 1HB TYR 10 2HB TYR 10 12.930 4.080 -12.675 634 2HB TYR 10 1HB TYR 10 12.724 2.339 -12.508 635 HD1 TYR 10 HD1 TYR 10 14.962 1.164 -11.432 636 HD2 TYR 10 HD2 TYR 10 13.643 5.194 -10.774 637 HE1 TYR 10 HE1 TYR 10 16.208 1.216 -9.296 638 HE2 TYR 10 HE2 TYR 10 14.894 5.249 -8.635 639 HH TYR 10 HH TYR 10 15.928 3.938 -7.077 640 H ALA 11 H ALA 11 13.228 0.813 -14.556 641 HA ALA 11 HA ALA 11 14.997 -1.115 -13.269 642 1HB ALA 11 3HB ALA 11 12.629 -1.304 -15.120 643 2HB ALA 11 2HB ALA 11 13.600 -2.730 -14.760 644 3HB ALA 11 1HB ALA 11 12.781 -1.870 -13.456 645 H MET 12 H MET 12 14.876 0.464 -16.371 646 HA MET 12 HA MET 12 16.633 -1.554 -17.619 647 1HB MET 12 2HB MET 12 15.135 0.852 -18.558 648 2HB MET 12 1HB MET 12 16.560 0.361 -19.473 649 1HG MET 12 2HG MET 12 15.350 -2.049 -19.124 650 2HG MET 12 1HG MET 12 13.941 -0.991 -19.193 651 1HE MET 12 1HE MET 12 14.029 1.013 -20.533 652 2HE MET 12 3HE MET 12 15.373 1.386 -21.621 653 3HE MET 12 2HE MET 12 13.856 0.767 -22.268 654 NH1 ARG 13 NH2 ARG 13 21.692 6.314 -19.032 655 NH2 ARG 13 NH1 ARG 13 20.382 8.108 -18.612 656 H ARG 13 H ARG 13 16.802 1.859 -16.629 657 HA ARG 13 HA ARG 13 19.623 2.049 -17.359 658 1HB ARG 13 2HB ARG 13 17.671 3.880 -15.977 659 2HB ARG 13 1HB ARG 13 19.390 4.272 -16.056 660 1HG ARG 13 2HG ARG 13 19.160 3.794 -18.598 661 2HG ARG 13 1HG ARG 13 17.426 3.967 -18.322 662 1HD ARG 13 2HD ARG 13 18.342 6.126 -18.981 663 2HD ARG 13 1HD ARG 13 17.860 6.200 -17.286 664 HE ARG 13 HE ARG 13 20.316 5.836 -16.749 665 1HH1 ARG 13 1HH2 ARG 13 21.915 5.350 -18.882 666 2HH1 ARG 13 2HH2 ARG 13 22.249 6.866 -19.653 667 1HH2 ARG 13 2HH1 ARG 13 19.603 8.520 -18.141 668 2HH2 ARG 13 1HH1 ARG 13 20.938 8.660 -19.234 669 H PHE 14 H PHE 14 17.792 1.427 -14.415 670 HA PHE 14 HA PHE 14 20.349 1.405 -12.882 671 1HB PHE 14 2HB PHE 14 17.514 1.222 -11.826 672 2HB PHE 14 1HB PHE 14 18.982 1.477 -10.881 673 HD1 PHE 14 HD1 PHE 14 16.997 2.973 -13.684 674 HD2 PHE 14 HD2 PHE 14 19.749 3.649 -10.458 675 HE1 PHE 14 HE1 PHE 14 16.817 5.421 -14.043 676 HE2 PHE 14 HE2 PHE 14 19.570 6.096 -10.816 677 HZ PHE 14 HZ PHE 14 18.103 6.982 -12.608 678 H GLY 15 H GLY 15 17.883 -0.646 -14.192 679 1HA GLY 15 2HA GLY 15 18.412 -3.027 -14.500 680 2HA GLY 15 1HA GLY 15 19.276 -2.982 -12.961 681 H GLN 16 H GLN 16 16.579 -4.208 -14.265 682 HA GLN 16 HA GLN 16 14.375 -3.513 -12.712 683 1HB GLN 16 2HB GLN 16 15.069 -6.409 -13.210 684 2HB GLN 16 1HB GLN 16 13.478 -5.651 -13.201 685 1HG GLN 16 2HG GLN 16 13.706 -5.582 -15.458 686 2HG GLN 16 1HG GLN 16 14.788 -4.221 -15.158 687 1HE2 GLN 16 2HE2 GLN 16 16.701 -7.843 -15.531 688 2HE2 GLN 16 1HE2 GLN 16 15.321 -7.729 -14.549 689 H THR 17 H THR 17 17.278 -5.175 -11.709 690 HA THR 17 HA THR 17 16.258 -6.288 -9.259 691 HB THR 17 HB THR 17 19.100 -5.389 -9.801 692 HG1 THR 17 HG1 THR 17 19.213 -7.704 -10.456 693 1HG2 THR 17 3HG2 THR 17 18.217 -6.217 -7.477 694 2HG2 THR 17 2HG2 THR 17 18.236 -7.806 -8.243 695 3HG2 THR 17 1HG2 THR 17 19.726 -6.873 -8.111 696 H LYS 18 H LYS 18 17.976 -3.235 -9.974 697 HA LYS 18 HA LYS 18 17.961 -2.280 -7.274 698 1HB LYS 18 2HB LYS 18 18.146 -0.871 -9.943 699 2HB LYS 18 1HB LYS 18 18.233 -0.005 -8.408 700 1HG LYS 18 2HG LYS 18 20.026 -1.952 -7.902 701 2HG LYS 18 1HG LYS 18 20.204 -1.854 -9.655 702 1HD LYS 18 2HD LYS 18 20.134 0.804 -8.919 703 2HD LYS 18 1HD LYS 18 21.018 0.063 -7.583 704 1HE LYS 18 2HE LYS 18 22.071 -1.158 -9.867 705 2HE LYS 18 1HE LYS 18 21.882 0.534 -10.325 706 1HZ LYS 18 3HZ LYS 18 22.878 0.610 -7.778 707 2HZ LYS 18 2HZ LYS 18 23.740 -0.654 -8.517 708 3HZ LYS 18 1HZ LYS 18 23.748 0.899 -9.205 709 H THR 19 H THR 19 15.705 -1.792 -9.975 710 HA THR 19 HA THR 19 13.970 0.053 -8.697 711 HB THR 19 HB THR 19 12.950 -2.121 -10.526 712 HG1 THR 19 HG1 THR 19 13.666 -0.319 -12.099 713 1HG2 THR 19 3HG2 THR 19 12.322 0.805 -10.068 714 2HG2 THR 19 2HG2 THR 19 11.657 -0.129 -11.408 715 3HG2 THR 19 1HG2 THR 19 11.276 -0.579 -9.746 716 H ALA 20 H ALA 20 14.004 -3.507 -8.638 717 HA ALA 20 HA ALA 20 11.641 -3.653 -6.937 718 1HB ALA 20 3HB ALA 20 12.894 -5.436 -8.584 719 2HB ALA 20 2HB ALA 20 13.467 -5.976 -7.005 720 3HB ALA 20 1HB ALA 20 11.736 -5.893 -7.335 721 H LYS 21 H LYS 21 14.958 -3.031 -6.380 722 HA LYS 21 HA LYS 21 14.976 -4.162 -3.671 723 1HB LYS 21 2HB LYS 21 16.949 -3.365 -5.512 724 2HB LYS 21 1HB LYS 21 17.081 -2.233 -4.165 725 1HG LYS 21 2HG LYS 21 16.701 -4.710 -2.934 726 2HG LYS 21 1HG LYS 21 17.795 -5.058 -4.274 727 1HD LYS 21 2HD LYS 21 18.999 -4.396 -2.183 728 2HD LYS 21 1HD LYS 21 19.328 -3.313 -3.536 729 1HE LYS 21 2HE LYS 21 18.577 -1.576 -2.324 730 2HE LYS 21 1HE LYS 21 16.998 -2.351 -2.200 731 1HZ LYS 21 3HZ LYS 21 18.381 -3.752 -0.415 732 2HZ LYS 21 2HZ LYS 21 19.174 -2.256 -0.283 733 3HZ LYS 21 1HZ LYS 21 17.498 -2.358 -0.023 734 H ASP 22 H ASP 22 14.612 -0.988 -5.178 735 HA ASP 22 HA ASP 22 14.504 0.355 -2.567 736 1HB ASP 22 2HB ASP 22 14.601 1.154 -5.395 737 2HB ASP 22 1HB ASP 22 13.538 2.163 -4.412 738 H LEU 23 H LEU 23 12.283 -0.971 -4.924 739 HA LEU 23 HA LEU 23 9.957 0.272 -3.590 740 1HB LEU 23 2HB LEU 23 10.320 -1.458 -6.033 741 2HB LEU 23 1HB LEU 23 8.720 -1.196 -5.337 742 HG LEU 23 HG LEU 23 10.409 1.221 -5.731 743 1HD1 LEU 23 2HD1 LEU 23 9.363 -0.507 -7.955 744 2HD1 LEU 23 1HD1 LEU 23 9.390 1.245 -8.147 745 3HD1 LEU 23 3HD1 LEU 23 10.891 0.367 -7.853 746 1HD2 LEU 23 3HD2 LEU 23 7.493 0.477 -6.071 747 2HD2 LEU 23 2HD2 LEU 23 8.202 1.507 -4.826 748 3HD2 LEU 23 1HD2 LEU 23 8.134 2.064 -6.499 749 H GLY 24 H GLY 24 11.804 -2.632 -3.446 750 1HA GLY 24 2HA GLY 24 11.571 -4.291 -1.741 751 2HA GLY 24 1HA GLY 24 9.949 -3.686 -1.405 752 H VAL 25 H VAL 25 9.126 -3.740 -4.226 753 HA VAL 25 HA VAL 25 7.956 -6.291 -4.375 754 HB VAL 25 HB VAL 25 7.894 -5.747 -6.934 755 1HG1 VAL 25 2HG1 VAL 25 6.101 -5.345 -5.153 756 2HG1 VAL 25 1HG1 VAL 25 6.712 -3.694 -5.051 757 3HG1 VAL 25 3HG1 VAL 25 6.033 -4.291 -6.565 758 1HG2 VAL 25 3HG2 VAL 25 9.876 -4.113 -6.566 759 2HG2 VAL 25 2HG2 VAL 25 8.539 -3.562 -7.575 760 3HG2 VAL 25 1HG2 VAL 25 8.667 -3.015 -5.903 761 OH TYR 26 OH TYR 26 4.301 -10.154 -6.736 762 H TYR 26 H TYR 26 8.514 -7.606 -6.661 763 HA TYR 26 HA TYR 26 11.388 -8.362 -6.329 764 1HB TYR 26 2HB TYR 26 10.374 -10.548 -7.513 765 2HB TYR 26 1HB TYR 26 10.353 -10.335 -5.764 766 HD1 TYR 26 HD2 TYR 26 8.276 -9.164 -4.740 767 HD2 TYR 26 HD1 TYR 26 8.361 -10.845 -8.692 768 HE1 TYR 26 HE2 TYR 26 5.798 -9.256 -4.753 769 HE2 TYR 26 HE1 TYR 26 5.882 -10.938 -8.705 770 HH TYR 26 HH TYR 26 3.997 -9.862 -7.599 771 H GLN 27 H GLN 27 12.392 -9.265 -8.353 772 HA GLN 27 HA GLN 27 12.096 -7.411 -10.521 773 1HB GLN 27 2HB GLN 27 13.530 -10.069 -10.300 774 2HB GLN 27 1HB GLN 27 13.621 -9.041 -11.730 775 1HG GLN 27 2HG GLN 27 15.181 -7.756 -10.744 776 2HG GLN 27 1HG GLN 27 14.087 -7.430 -9.398 777 1HE2 GLN 27 2HE2 GLN 27 16.935 -10.356 -9.021 778 2HE2 GLN 27 1HE2 GLN 27 16.565 -9.733 -10.556 779 H SER 28 H SER 28 10.495 -10.396 -9.778 780 HA SER 28 HA SER 28 9.689 -10.995 -12.511 781 1HB SER 28 2HB SER 28 9.709 -12.457 -10.224 782 2HB SER 28 1HB SER 28 8.016 -11.972 -10.263 783 HG SER 28 HG SER 28 7.808 -12.910 -12.258 784 H ALA 29 H ALA 29 8.514 -8.931 -9.967 785 HA ALA 29 HA ALA 29 5.846 -8.642 -11.168 786 1HB ALA 29 3HB ALA 29 6.827 -8.248 -8.624 787 2HB ALA 29 2HB ALA 29 6.726 -6.598 -9.238 788 3HB ALA 29 1HB ALA 29 5.288 -7.619 -9.213 789 H ILE 30 H ILE 30 8.918 -6.953 -11.066 790 HA ILE 30 HA ILE 30 7.950 -4.569 -12.410 791 HB ILE 30 HB ILE 30 10.690 -5.710 -11.835 792 1HG1 ILE 30 2HG1 ILE 30 9.687 -3.026 -10.967 793 2HG1 ILE 30 1HG1 ILE 30 9.032 -4.456 -10.169 794 1HG2 ILE 30 2HG2 ILE 30 9.939 -3.236 -13.408 795 2HG2 ILE 30 1HG2 ILE 30 11.532 -3.477 -12.688 796 3HG2 ILE 30 3HG2 ILE 30 10.953 -4.579 -13.937 797 1HD1 ILE 30 1HD1 ILE 30 12.004 -4.023 -10.510 798 2HD1 ILE 30 3HD1 ILE 30 11.122 -3.431 -9.102 799 3HD1 ILE 30 2HD1 ILE 30 11.189 -5.161 -9.438 800 H ASN 31 H ASN 31 9.219 -7.688 -13.382 801 HA ASN 31 HA ASN 31 9.726 -6.936 -16.145 802 1HB ASN 31 2HB ASN 31 9.991 -9.304 -14.490 803 2HB ASN 31 1HB ASN 31 9.245 -9.708 -16.037 804 1HD2 ASN 31 2HD2 ASN 31 12.180 -9.084 -17.926 805 2HD2 ASN 31 1HD2 ASN 31 10.517 -9.424 -17.979 806 H LYS 32 H LYS 32 7.080 -8.635 -14.450 807 HA LYS 32 HA LYS 32 5.491 -8.987 -16.831 808 1HB LYS 32 2HB LYS 32 3.723 -9.663 -15.346 809 2HB LYS 32 1HB LYS 32 5.232 -10.287 -14.678 810 1HG LYS 32 2HG LYS 32 5.357 -8.479 -13.088 811 2HG LYS 32 1HG LYS 32 3.989 -7.660 -13.841 812 1HD LYS 32 2HD LYS 32 3.086 -10.267 -13.255 813 2HD LYS 32 1HD LYS 32 3.970 -9.733 -11.825 814 1HE LYS 32 2HE LYS 32 2.435 -7.516 -12.710 815 2HE LYS 32 1HE LYS 32 1.364 -8.917 -12.724 816 1HZ LYS 32 2HZ LYS 32 2.920 -9.045 -10.412 817 2HZ LYS 32 1HZ LYS 32 2.303 -7.466 -10.517 818 3HZ LYS 32 3HZ LYS 32 1.245 -8.790 -10.533 819 H ALA 33 H ALA 33 5.822 -6.405 -14.472 820 HA ALA 33 HA ALA 33 3.434 -4.978 -15.251 821 1HB ALA 33 2HB ALA 33 5.958 -4.183 -13.794 822 2HB ALA 33 1HB ALA 33 4.701 -3.006 -14.173 823 3HB ALA 33 3HB ALA 33 4.334 -4.384 -13.135 824 H ILE 34 H ILE 34 6.820 -4.867 -16.267 825 HA ILE 34 HA ILE 34 6.382 -2.645 -18.109 826 HB ILE 34 HB ILE 34 8.669 -4.599 -17.741 827 1HG1 ILE 34 2HG1 ILE 34 8.827 -1.639 -17.315 828 2HG1 ILE 34 1HG1 ILE 34 7.989 -2.607 -16.102 829 1HG2 ILE 34 1HG2 ILE 34 8.091 -2.632 -19.874 830 2HG2 ILE 34 3HG2 ILE 34 9.701 -2.509 -19.166 831 3HG2 ILE 34 2HG2 ILE 34 9.169 -4.027 -19.891 832 1HD1 ILE 34 2HD1 ILE 34 10.115 -4.145 -16.268 833 2HD1 ILE 34 1HD1 ILE 34 10.874 -2.697 -16.932 834 3HD1 ILE 34 3HD1 ILE 34 10.184 -2.666 -15.310 835 H HIS 35 H HIS 35 6.154 -6.114 -18.211 836 HA HIS 35 HA HIS 35 6.265 -6.336 -21.108 837 1HB HIS 35 2HB HIS 35 5.496 -8.172 -18.849 838 2HB HIS 35 1HB HIS 35 5.148 -8.627 -20.517 839 HD1 HIS 35 HD1 HIS 35 6.959 -10.527 -20.404 840 HD2 HIS 35 HD2 HIS 35 8.471 -6.681 -19.855 841 HE1 HIS 35 HE1 HIS 35 9.475 -10.708 -20.632 842 H ALA 36 H ALA 36 3.801 -5.627 -18.746 843 HA ALA 36 HA ALA 36 1.580 -6.202 -20.570 844 1HB ALA 36 2HB ALA 36 1.882 -5.694 -17.784 845 2HB ALA 36 1HB ALA 36 0.816 -4.448 -18.432 846 3HB ALA 36 3HB ALA 36 0.413 -6.151 -18.647 847 H GLY 37 H GLY 37 3.797 -3.659 -20.145 848 1HA GLY 37 2HA GLY 37 3.895 -1.489 -21.033 849 2HA GLY 37 1HA GLY 37 2.782 -2.087 -22.265 850 NH1 ARG 38 NH2 ARG 38 1.425 -4.418 -13.387 851 NH2 ARG 38 NH1 ARG 38 -0.646 -4.538 -14.285 852 H ARG 38 H ARG 38 2.309 -1.715 -18.752 853 HA ARG 38 HA ARG 38 -0.240 -0.331 -19.291 854 1HB ARG 38 2HB ARG 38 -0.589 -0.536 -16.860 855 2HB ARG 38 1HB ARG 38 -0.129 -2.091 -17.552 856 1HG ARG 38 2HG ARG 38 2.310 -0.898 -16.943 857 2HG ARG 38 1HG ARG 38 1.275 -0.459 -15.583 858 1HD ARG 38 2HD ARG 38 1.271 -3.288 -16.593 859 2HD ARG 38 1HD ARG 38 2.567 -2.743 -15.528 860 HE ARG 38 HE ARG 38 0.178 -1.938 -14.294 861 1HH1 ARG 38 1HH2 ARG 38 2.283 -3.922 -13.252 862 2HH1 ARG 38 2HH2 ARG 38 1.296 -5.317 -12.969 863 1HH2 ARG 38 2HH1 ARG 38 -1.375 -4.134 -14.838 864 2HH2 ARG 38 1HH1 ARG 38 -0.776 -5.438 -13.867 865 H LYS 39 H LYS 39 -0.192 1.276 -16.866 866 HA LYS 39 HA LYS 39 1.824 3.336 -17.675 867 1HB LYS 39 2HB LYS 39 -0.827 3.979 -16.387 868 2HB LYS 39 1HB LYS 39 0.237 5.047 -17.302 869 1HG LYS 39 2HG LYS 39 -1.328 2.704 -18.424 870 2HG LYS 39 1HG LYS 39 -1.690 4.411 -18.680 871 1HD LYS 39 2HD LYS 39 1.052 3.430 -19.366 872 2HD LYS 39 1HD LYS 39 -0.273 3.038 -20.461 873 1HE LYS 39 2HE LYS 39 -0.049 5.098 -21.343 874 2HE LYS 39 1HE LYS 39 -0.638 5.746 -19.813 875 1HZ LYS 39 2HZ LYS 39 1.804 5.416 -19.082 876 2HZ LYS 39 1HZ LYS 39 2.131 5.424 -20.749 877 3HZ LYS 39 3HZ LYS 39 1.393 6.768 -20.025 878 H ILE 40 H ILE 40 3.143 2.141 -16.066 879 HA ILE 40 HA ILE 40 2.427 2.866 -13.258 880 HB ILE 40 HB ILE 40 4.346 0.824 -14.413 881 1HG1 ILE 40 2HG1 ILE 40 2.218 0.437 -12.308 882 2HG1 ILE 40 1HG1 ILE 40 1.806 0.419 -14.023 883 1HG2 ILE 40 2HG2 ILE 40 5.451 2.002 -12.540 884 2HG2 ILE 40 1HG2 ILE 40 4.041 1.702 -11.523 885 3HG2 ILE 40 3HG2 ILE 40 5.024 0.352 -12.086 886 1HD1 ILE 40 1HD1 ILE 40 3.644 -1.317 -14.322 887 2HD1 ILE 40 3HD1 ILE 40 3.711 -1.421 -12.562 888 3HD1 ILE 40 2HD1 ILE 40 2.232 -1.858 -13.416 889 H PHE 41 H PHE 41 3.147 4.959 -13.051 890 HA PHE 41 HA PHE 41 5.742 5.733 -14.221 891 1HB PHE 41 2HB PHE 41 4.025 7.468 -12.449 892 2HB PHE 41 1HB PHE 41 5.104 7.955 -13.759 893 HD1 PHE 41 HD1 PHE 41 4.171 5.633 -15.650 894 HD2 PHE 41 HD2 PHE 41 2.062 8.617 -13.386 895 HE1 PHE 41 HE1 PHE 41 2.285 5.521 -17.252 896 HE2 PHE 41 HE2 PHE 41 0.180 8.503 -14.991 897 HZ PHE 41 HZ PHE 41 0.290 6.954 -16.924 898 H LEU 42 H LEU 42 7.438 6.726 -12.855 899 HA LEU 42 HA LEU 42 7.396 5.634 -10.066 900 1HB LEU 42 2HB LEU 42 9.244 5.152 -12.235 901 2HB LEU 42 1HB LEU 42 10.081 5.925 -10.890 902 HG LEU 42 HG LEU 42 9.165 4.221 -9.347 903 1HD1 LEU 42 2HD1 LEU 42 7.985 3.093 -11.901 904 2HD1 LEU 42 1HD1 LEU 42 8.062 2.214 -10.375 905 3HD1 LEU 42 3HD1 LEU 42 7.094 3.683 -10.499 906 1HD2 LEU 42 3HD2 LEU 42 10.854 3.549 -11.704 907 2HD2 LEU 42 2HD2 LEU 42 11.238 3.458 -9.984 908 3HD2 LEU 42 1HD2 LEU 42 10.273 2.190 -10.742 909 H THR 43 H THR 43 7.070 7.448 -8.835 910 HA THR 43 HA THR 43 8.560 9.930 -9.527 911 HB THR 43 HB THR 43 6.344 9.449 -7.508 912 HG1 THR 43 HG1 THR 43 5.453 9.373 -9.490 913 1HG2 THR 43 1HG2 THR 43 7.861 11.917 -8.366 914 2HG2 THR 43 3HG2 THR 43 6.276 12.008 -7.598 915 3HG2 THR 43 2HG2 THR 43 7.635 11.292 -6.733 916 H ILE 44 H ILE 44 10.550 9.990 -8.586 917 HA ILE 44 HA ILE 44 10.954 8.647 -5.974 918 HB ILE 44 HB ILE 44 13.247 10.003 -7.263 919 1HG1 ILE 44 2HG1 ILE 44 12.165 9.278 -9.299 920 2HG1 ILE 44 1HG1 ILE 44 13.453 8.124 -8.949 921 1HG2 ILE 44 2HG2 ILE 44 12.732 7.203 -6.217 922 2HG2 ILE 44 1HG2 ILE 44 14.302 7.818 -6.733 923 3HG2 ILE 44 3HG2 ILE 44 13.498 8.520 -5.328 924 1HD1 ILE 44 1HD1 ILE 44 11.208 7.157 -7.564 925 2HD1 ILE 44 3HD1 ILE 44 10.596 7.667 -9.139 926 3HD1 ILE 44 2HD1 ILE 44 11.906 6.490 -9.040 927 H ASN 45 H ASN 45 10.575 9.923 -4.217 928 HA ASN 45 HA ASN 45 10.460 12.769 -4.267 929 1HB ASN 45 2HB ASN 45 11.155 11.173 -1.802 930 2HB ASN 45 1HB ASN 45 10.213 12.658 -1.915 931 1HD2 ASN 45 2HD2 ASN 45 7.879 9.715 -1.569 932 2HD2 ASN 45 1HD2 ASN 45 9.187 10.277 -0.642 933 H ALA 46 H ALA 46 11.991 14.320 -3.832 934 HA ALA 46 HA ALA 46 14.642 14.061 -4.528 935 1HB ALA 46 2HB ALA 46 13.061 16.023 -3.167 936 2HB ALA 46 1HB ALA 46 14.619 15.894 -2.352 937 3HB ALA 46 3HB ALA 46 14.553 16.258 -4.076 938 H ASP 47 H ASP 47 13.220 12.930 -1.554 939 HA ASP 47 HA ASP 47 15.786 12.715 -0.160 940 1HB ASP 47 2HB ASP 47 12.941 12.213 0.451 941 2HB ASP 47 1HB ASP 47 14.068 11.101 1.229 942 H GLY 48 H GLY 48 15.491 11.325 -2.789 943 1HA GLY 48 2HA GLY 48 16.097 9.268 -3.725 944 2HA GLY 48 1HA GLY 48 16.832 8.903 -2.163 945 H SER 49 H SER 49 13.465 9.696 -2.195 946 HA SER 49 HA SER 49 12.851 6.921 -1.358 947 1HB SER 49 2HB SER 49 11.628 9.578 -1.001 948 2HB SER 49 1HB SER 49 10.467 8.282 -1.277 949 HG SER 49 HG SER 49 11.962 7.170 0.371 950 H VAL 50 H VAL 50 11.365 5.587 -2.489 951 HA VAL 50 HA VAL 50 10.882 6.445 -5.304 952 HB VAL 50 HB VAL 50 10.990 3.716 -3.997 953 1HG1 VAL 50 3HG1 VAL 50 9.948 4.564 -6.702 954 2HG1 VAL 50 2HG1 VAL 50 10.582 2.943 -6.427 955 3HG1 VAL 50 1HG1 VAL 50 9.181 3.507 -5.518 956 1HG2 VAL 50 2HG2 VAL 50 13.145 4.748 -4.639 957 2HG2 VAL 50 1HG2 VAL 50 12.781 3.356 -5.659 958 3HG2 VAL 50 3HG2 VAL 50 12.538 4.990 -6.277 959 OH TYR 51 OH TYR 51 1.278 7.265 -2.322 960 H TYR 51 H TYR 51 8.784 6.437 -6.143 961 HA TYR 51 HA TYR 51 6.567 5.477 -4.446 962 1HB TYR 51 2HB TYR 51 7.167 7.958 -3.907 963 2HB TYR 51 1HB TYR 51 6.438 8.307 -5.474 964 HD1 TYR 51 HD1 TYR 51 5.733 6.299 -2.378 965 HD2 TYR 51 HD2 TYR 51 4.147 8.725 -5.549 966 HE1 TYR 51 HE1 TYR 51 3.474 6.146 -1.365 967 HE2 TYR 51 HE2 TYR 51 1.889 8.572 -4.536 968 HH TYR 51 HH TYR 51 1.266 6.505 -1.736 969 H ALA 52 H ALA 52 6.394 3.997 -6.278 970 HA ALA 52 HA ALA 52 5.848 5.073 -8.938 971 1HB ALA 52 2HB ALA 52 6.868 2.765 -8.340 972 2HB ALA 52 1HB ALA 52 5.206 2.269 -8.026 973 3HB ALA 52 3HB ALA 52 5.672 2.820 -9.635 974 H GLU 53 H GLU 53 3.841 5.459 -9.829 975 HA GLU 53 HA GLU 53 1.469 4.789 -8.130 976 1HB GLU 53 2HB GLU 53 2.275 7.350 -9.445 977 2HB GLU 53 1HB GLU 53 0.558 6.949 -9.412 978 1HG GLU 53 2HG GLU 53 1.669 6.384 -6.832 979 2HG GLU 53 1HG GLU 53 2.138 8.019 -7.299 980 H GLU 54 H GLU 54 -0.493 4.399 -9.325 981 HA GLU 54 HA GLU 54 0.046 3.490 -12.119 982 1HB GLU 54 2HB GLU 54 -0.706 1.789 -10.374 983 2HB GLU 54 1HB GLU 54 -2.248 2.643 -10.325 984 1HG GLU 54 2HG GLU 54 -2.897 1.862 -12.368 985 2HG GLU 54 1HG GLU 54 -1.267 1.970 -13.036 986 H VAL 55 H VAL 55 -1.022 4.565 -13.728 987 HA VAL 55 HA VAL 55 -3.548 5.969 -13.092 988 HB VAL 55 HB VAL 55 -1.900 7.721 -14.705 989 1HG1 VAL 55 2HG1 VAL 55 -3.983 7.928 -12.966 990 2HG1 VAL 55 1HG1 VAL 55 -2.652 8.452 -11.933 991 3HG1 VAL 55 3HG1 VAL 55 -2.977 9.296 -13.448 992 1HG2 VAL 55 2HG2 VAL 55 -0.094 6.538 -13.320 993 2HG2 VAL 55 1HG2 VAL 55 -0.162 8.295 -13.168 994 3HG2 VAL 55 3HG2 VAL 55 -0.845 7.273 -11.902 995 H LYS 56 H LYS 56 -4.813 4.950 -14.576 996 HA LYS 56 HA LYS 56 -4.136 5.283 -17.427 997 1HB LYS 56 2HB LYS 56 -3.093 3.174 -17.081 998 2HB LYS 56 1HB LYS 56 -4.394 2.615 -16.034 999 1HG LYS 56 2HG LYS 56 -5.396 1.695 -17.827 1000 2HG LYS 56 1HG LYS 56 -5.587 3.304 -18.521 1001 1HD LYS 56 2HD LYS 56 -3.544 3.160 -19.711 1002 2HD LYS 56 1HD LYS 56 -2.990 1.786 -18.753 1003 1HE LYS 56 2HE LYS 56 -4.780 0.387 -19.717 1004 2HE LYS 56 1HE LYS 56 -5.335 1.759 -20.677 1005 1HZ LYS 56 3HZ LYS 56 -2.828 1.765 -21.403 1006 2HZ LYS 56 2HZ LYS 56 -2.928 0.122 -20.980 1007 3HZ LYS 56 1HZ LYS 56 -3.962 0.762 -22.167 1008 HA PRO 57 HA PRO 57 -8.520 5.866 -17.357 1009 1HB PRO 57 2HB PRO 57 -8.872 6.032 -20.082 1010 2HB PRO 57 1HB PRO 57 -8.237 7.354 -19.087 1011 1HG PRO 57 2HG PRO 57 -6.772 5.525 -20.937 1012 2HG PRO 57 1HG PRO 57 -6.380 7.184 -20.456 1013 1HD PRO 57 2HD PRO 57 -5.154 4.855 -19.445 1014 2HD PRO 57 1HD PRO 57 -5.064 6.472 -18.715 1015 H PHE 58 H PHE 58 -10.501 4.842 -18.538 1016 HA PHE 58 HA PHE 58 -9.941 1.971 -19.164 1017 1HB PHE 58 2HB PHE 58 -10.817 1.996 -16.928 1018 2HB PHE 58 1HB PHE 58 -12.078 3.145 -17.371 1019 HD1 PHE 58 HD2 PHE 58 -13.827 2.412 -19.102 1020 HD2 PHE 58 HD1 PHE 58 -11.178 -0.327 -17.120 1021 HE1 PHE 58 HE2 PHE 58 -15.330 0.529 -19.692 1022 HE2 PHE 58 HE1 PHE 58 -12.680 -2.210 -17.710 1023 HZ PHE 58 HZ PHE 58 -14.757 -1.781 -18.996 1024 HA PRO 59 HA PRO 59 -10.987 0.332 -19.696 1025 1HB PRO 59 2HB PRO 59 -11.129 -1.089 -22.040 1026 2HB PRO 59 1HB PRO 59 -12.489 -0.919 -20.915 1027 1HG PRO 59 2HG PRO 59 -12.074 0.381 -23.559 1028 2HG PRO 59 1HG PRO 59 -13.585 0.048 -22.697 1029 1HD PRO 59 2HD PRO 59 -12.255 2.558 -22.861 1030 2HD PRO 59 1HD PRO 59 -13.624 2.152 -21.803 1031 H SER 60 H SER 60 -10.132 0.243 -23.107 1032 HA SER 60 HA SER 60 -7.308 0.064 -22.487 1033 1HB SER 60 2HB SER 60 -9.011 -0.135 -24.872 1034 2HB SER 60 1HB SER 60 -7.447 0.605 -25.193 1035 HG SER 60 HG SER 60 -8.058 -1.971 -24.683 1036 H ASN 61 H ASN 61 -5.692 1.586 -23.532 1037 HA ASN 61 HA ASN 61 -6.725 4.394 -23.506 1038 1HB ASN 61 2HB ASN 61 -5.477 4.075 -21.465 1039 2HB ASN 61 1HB ASN 61 -4.156 3.293 -22.334 1040 1HD2 ASN 61 2HD2 ASN 61 -2.652 6.518 -22.298 1041 2HD2 ASN 61 1HD2 ASN 61 -2.611 4.953 -21.639 1042 H LYS 62 H LYS 62 -6.169 5.570 -25.294 1043 HA LYS 62 HA LYS 62 -5.004 4.368 -27.580 1044 1HB LYS 62 2HB LYS 62 -6.050 6.934 -26.864 1045 2HB LYS 62 1HB LYS 62 -4.502 7.176 -27.674 1046 1HG LYS 62 2HG LYS 62 -5.853 5.140 -29.110 1047 2HG LYS 62 1HG LYS 62 -7.029 6.425 -28.827 1048 1HD LYS 62 2HD LYS 62 -4.628 7.733 -29.507 1049 2HD LYS 62 1HD LYS 62 -4.782 6.395 -30.647 1050 1HE LYS 62 2HE LYS 62 -6.895 8.490 -30.059 1051 2HE LYS 62 1HE LYS 62 -5.929 8.371 -31.530 1052 1HZ LYS 62 2HZ LYS 62 -6.879 6.023 -31.678 1053 2HZ LYS 62 1HZ LYS 62 -8.042 6.553 -30.559 1054 3HZ LYS 62 3HZ LYS 62 -7.908 7.316 -32.069 1055 H LYS 63 H LYS 63 -2.905 4.870 -28.594 1056 HA LYS 63 HA LYS 63 -0.712 4.565 -26.754 1057 1HB LYS 63 2HB LYS 63 -0.958 5.029 -29.715 1058 2HB LYS 63 1HB LYS 63 0.623 5.167 -28.942 1059 1HG LYS 63 2HG LYS 63 0.798 2.926 -29.051 1060 2HG LYS 63 1HG LYS 63 -0.526 2.820 -27.890 1061 1HD LYS 63 2HD LYS 63 -1.342 1.569 -29.698 1062 2HD LYS 63 1HD LYS 63 -2.055 3.158 -29.981 1063 1HE LYS 63 2HE LYS 63 -1.116 2.400 -32.074 1064 2HE LYS 63 1HE LYS 63 -0.082 3.691 -31.460 1065 1HZ LYS 63 1HZ LYS 63 0.796 1.259 -30.385 1066 2HZ LYS 63 3HZ LYS 63 0.621 1.053 -32.059 1067 3HZ LYS 63 2HZ LYS 63 1.614 2.294 -31.457 1068 H THR 64 H THR 64 -0.530 6.310 -25.338 1069 HA THR 64 HA THR 64 -0.342 9.037 -26.513 1070 HB THR 64 HB THR 64 -0.434 8.188 -23.606 1071 HG1 THR 64 HG1 THR 64 -2.354 7.707 -24.696 1072 1HG2 THR 64 2HG2 THR 64 -0.598 10.861 -25.008 1073 2HG2 THR 64 1HG2 THR 64 -1.110 10.622 -23.337 1074 3HG2 THR 64 3HG2 THR 64 0.573 10.353 -23.791 1075 H THR 65 H THR 65 1.513 10.360 -26.072 1076 HA THR 65 HA THR 65 3.936 8.786 -25.289 1077 HB THR 65 HB THR 65 4.770 11.065 -26.703 1078 HG1 THR 65 HG1 THR 65 3.373 11.365 -28.243 1079 1HG2 THR 65 2HG2 THR 65 5.308 8.410 -26.684 1080 2HG2 THR 65 1HG2 THR 65 4.424 8.533 -28.205 1081 3HG2 THR 65 3HG2 THR 65 5.875 9.503 -27.948 1082 H ALA 66 HN ALA 66 5.675 10.153 -24.278 1083 HA ALA 66 HA ALA 66 4.424 12.171 -22.475 1084 1HB ALA 66 2HB ALA 66 6.384 10.063 -22.110 1085 2HB ALA 66 1HB ALA 66 7.033 11.617 -21.588 1086 3HB ALA 66 3HB ALA 66 5.531 11.011 -20.890 Start of MODEL 16 Raw file had 1086 H/Q atoms Start of MODEL 16 1 1H MET 1 1H MET 1 -19.984 18.296 -7.354 2 2H MET 1 3H MET 1 -19.578 19.450 -6.180 3 3H MET 1 2H MET 1 -20.373 19.931 -7.602 4 HA MET 1 HA MET 1 -18.447 20.283 -8.591 5 1HB MET 1 2HB MET 1 -17.478 19.300 -5.914 6 2HB MET 1 1HB MET 1 -16.324 19.667 -7.197 7 1HG MET 1 2HG MET 1 -17.005 21.940 -7.310 8 2HG MET 1 1HG MET 1 -18.476 21.627 -6.388 9 1HE MET 1 2HE MET 1 -18.244 20.139 -4.393 10 2HE MET 1 1HE MET 1 -17.124 20.401 -3.058 11 3HE MET 1 3HE MET 1 -18.375 21.599 -3.418 12 H GLU 2 H GLU 2 -18.941 18.680 -10.208 13 HA GLU 2 HA GLU 2 -18.221 16.906 -11.578 14 1HB GLU 2 2HB GLU 2 -15.989 17.428 -10.122 15 2HB GLU 2 1HB GLU 2 -16.346 15.788 -9.584 16 1HG GLU 2 2HG GLU 2 -15.411 15.030 -11.490 17 2HG GLU 2 1HG GLU 2 -16.752 15.763 -12.368 18 H GLN 3 H GLN 3 -19.049 14.834 -11.792 19 HA GLN 3 HA GLN 3 -20.529 13.803 -9.452 20 1HB GLN 3 2HB GLN 3 -20.983 13.862 -12.272 21 2HB GLN 3 1HB GLN 3 -20.926 12.175 -11.761 22 1HG GLN 3 2HG GLN 3 -22.523 12.763 -9.904 23 2HG GLN 3 1HG GLN 3 -22.682 14.366 -10.622 24 1HE2 GLN 3 2HE2 GLN 3 -24.008 12.647 -13.727 25 2HE2 GLN 3 1HE2 GLN 3 -22.565 13.481 -13.408 26 NH1 ARG 4 NH1 ARG 4 -13.276 13.239 -10.700 27 NH2 ARG 4 NH2 ARG 4 -12.883 15.448 -10.439 28 H ARG 4 H ARG 4 -18.378 13.109 -8.452 29 HA ARG 4 HA ARG 4 -16.990 10.899 -9.727 30 1HB ARG 4 2HB ARG 4 -16.797 12.383 -7.142 31 2HB ARG 4 1HB ARG 4 -16.049 10.787 -7.249 32 1HG ARG 4 2HG ARG 4 -14.465 12.562 -7.899 33 2HG ARG 4 1HG ARG 4 -14.820 11.488 -9.251 34 1HD ARG 4 2HD ARG 4 -15.878 13.110 -10.431 35 2HD ARG 4 1HD ARG 4 -16.609 13.818 -8.990 36 HE ARG 4 HE ARG 4 -14.734 15.252 -8.795 37 1HH1 ARG 4 2HH1 ARG 4 -13.825 12.428 -10.504 38 2HH1 ARG 4 1HH1 ARG 4 -12.476 13.168 -11.296 39 1HH2 ARG 4 1HH2 ARG 4 -13.132 16.331 -10.041 40 2HH2 ARG 4 2HH2 ARG 4 -12.085 15.377 -11.037 41 H ILE 5 H ILE 5 -17.649 8.812 -9.643 42 HA ILE 5 HA ILE 5 -19.091 7.803 -7.268 43 HB ILE 5 HB ILE 5 -20.224 7.880 -10.070 44 1HG1 ILE 5 2HG1 ILE 5 -22.169 8.275 -8.060 45 2HG1 ILE 5 1HG1 ILE 5 -20.755 9.198 -7.552 46 1HG2 ILE 5 3HG2 ILE 5 -20.296 5.542 -9.192 47 2HG2 ILE 5 2HG2 ILE 5 -21.159 6.137 -7.775 48 3HG2 ILE 5 1HG2 ILE 5 -21.901 6.250 -9.369 49 1HD1 ILE 5 1HD1 ILE 5 -20.671 10.093 -9.956 50 2HD1 ILE 5 3HD1 ILE 5 -22.292 9.424 -10.144 51 3HD1 ILE 5 2HD1 ILE 5 -21.990 10.680 -8.944 52 H THR 6 H THR 6 -18.707 5.583 -6.960 53 HA THR 6 HA THR 6 -16.466 4.443 -8.389 54 HB THR 6 HB THR 6 -18.365 2.829 -6.699 55 HG1 THR 6 HG1 THR 6 -18.052 4.630 -5.476 56 1HG2 THR 6 2HG2 THR 6 -15.543 2.710 -7.602 57 2HG2 THR 6 1HG2 THR 6 -15.845 2.198 -5.941 58 3HG2 THR 6 3HG2 THR 6 -16.679 1.401 -7.274 59 H LEU 7 H LEU 7 -16.511 2.561 -9.769 60 HA LEU 7 HA LEU 7 -18.501 2.535 -11.771 61 1HB LEU 7 2HB LEU 7 -16.433 1.511 -12.315 62 2HB LEU 7 1HB LEU 7 -16.465 0.490 -10.879 63 HG LEU 7 HG LEU 7 -18.419 -0.724 -11.804 64 1HD1 LEU 7 1HD1 LEU 7 -19.245 1.196 -13.191 65 2HD1 LEU 7 3HD1 LEU 7 -17.908 0.911 -14.305 66 3HD1 LEU 7 2HD1 LEU 7 -19.151 -0.321 -14.085 67 1HD2 LEU 7 2HD2 LEU 7 -15.960 -1.326 -12.289 68 2HD2 LEU 7 1HD2 LEU 7 -17.179 -2.032 -13.351 69 3HD2 LEU 7 3HD2 LEU 7 -16.235 -0.643 -13.892 70 H LYS 8 H LYS 8 -18.563 1.214 -8.593 71 HA LYS 8 HA LYS 8 -20.671 -0.741 -9.240 72 1HB LYS 8 2HB LYS 8 -20.417 -1.530 -7.041 73 2HB LYS 8 1HB LYS 8 -18.789 -0.999 -7.458 74 1HG LYS 8 2HG LYS 8 -19.241 1.183 -6.352 75 2HG LYS 8 1HG LYS 8 -20.835 0.591 -5.880 76 1HD LYS 8 2HD LYS 8 -19.384 0.245 -3.996 77 2HD LYS 8 1HD LYS 8 -19.657 -1.339 -4.726 78 1HE LYS 8 2HE LYS 8 -17.522 -1.138 -5.954 79 2HE LYS 8 1HE LYS 8 -17.243 0.434 -5.203 80 1HZ LYS 8 1HZ LYS 8 -17.831 -1.799 -3.424 81 2HZ LYS 8 3HZ LYS 8 -16.314 -1.810 -4.184 82 3HZ LYS 8 2HZ LYS 8 -16.767 -0.492 -3.215 83 H ASP 9 H ASP 9 -20.358 2.454 -7.794 84 HA ASP 9 HA ASP 9 -23.115 2.507 -6.843 85 1HB ASP 9 2HB ASP 9 -20.831 4.428 -6.956 86 2HB ASP 9 1HB ASP 9 -22.457 5.101 -6.827 87 OH TYR 10 OH TYR 10 -24.035 5.912 -17.066 88 H TYR 10 H TYR 10 -21.411 3.485 -9.750 89 HA TYR 10 HA TYR 10 -23.753 4.918 -10.806 90 1HB TYR 10 2HB TYR 10 -21.590 5.792 -11.438 91 2HB TYR 10 1HB TYR 10 -21.050 4.205 -11.988 92 HD1 TYR 10 HD1 TYR 10 -22.370 3.096 -13.896 93 HD2 TYR 10 HD2 TYR 10 -22.667 7.266 -12.935 94 HE1 TYR 10 HE1 TYR 10 -23.308 3.548 -16.144 95 HE2 TYR 10 HE2 TYR 10 -23.599 7.719 -15.188 96 HH TYR 10 HH TYR 10 -23.742 6.785 -17.341 97 H ALA 11 H ALA 11 -22.200 1.773 -11.103 98 HA ALA 11 HA ALA 11 -23.898 0.955 -13.346 99 1HB ALA 11 1HB ALA 11 -21.993 -0.554 -11.537 100 2HB ALA 11 3HB ALA 11 -22.906 -1.323 -12.836 101 3HB ALA 11 2HB ALA 11 -21.725 -0.069 -13.212 102 H MET 12 H MET 12 -24.030 0.892 -9.861 103 HA MET 12 HA MET 12 -26.234 -1.076 -9.846 104 1HB MET 12 2HB MET 12 -24.777 0.431 -7.668 105 2HB MET 12 1HB MET 12 -26.176 -0.593 -7.346 106 1HG MET 12 2HG MET 12 -23.655 -1.530 -8.748 107 2HG MET 12 1HG MET 12 -24.005 -1.795 -7.039 108 1HE MET 12 1HE MET 12 -24.218 -3.634 -6.439 109 2HE MET 12 3HE MET 12 -25.588 -4.728 -6.676 110 3HE MET 12 2HE MET 12 -24.111 -4.944 -7.611 111 NH1 ARG 13 NH2 ARG 13 -29.112 5.520 -3.762 112 NH2 ARG 13 NH1 ARG 13 -27.494 4.398 -2.652 113 H ARG 13 H ARG 13 -25.722 2.349 -9.018 114 HA ARG 13 HA ARG 13 -28.506 2.828 -8.403 115 1HB ARG 13 2HB ARG 13 -26.235 4.717 -9.077 116 2HB ARG 13 1HB ARG 13 -27.838 5.253 -8.573 117 1HG ARG 13 2HG ARG 13 -26.764 3.202 -6.796 118 2HG ARG 13 1HG ARG 13 -25.719 4.622 -6.878 119 1HD ARG 13 2HD ARG 13 -27.838 6.018 -6.535 120 2HD ARG 13 1HD ARG 13 -28.640 4.506 -6.105 121 HE ARG 13 HE ARG 13 -26.164 5.255 -4.638 122 1HH1 ARG 13 1HH2 ARG 13 -29.432 5.989 -4.585 123 2HH1 ARG 13 2HH2 ARG 13 -29.712 5.441 -2.966 124 1HH2 ARG 13 2HH1 ARG 13 -26.574 4.007 -2.625 125 2HH2 ARG 13 1HH1 ARG 13 -28.094 4.321 -1.856 126 H PHE 14 H PHE 14 -26.520 3.202 -11.307 127 HA PHE 14 HA PHE 14 -28.914 4.176 -12.780 128 1HB PHE 14 2HB PHE 14 -26.048 3.952 -13.741 129 2HB PHE 14 1HB PHE 14 -27.369 4.797 -14.548 130 HD1 PHE 14 HD2 PHE 14 -28.648 6.551 -12.977 131 HD2 PHE 14 HD1 PHE 14 -24.607 5.225 -12.419 132 HE1 PHE 14 HE2 PHE 14 -28.161 8.593 -11.656 133 HE2 PHE 14 HE1 PHE 14 -24.116 7.263 -11.099 134 HZ PHE 14 HZ PHE 14 -25.894 8.948 -10.716 135 H GLY 15 H GLY 15 -27.018 1.347 -12.281 136 1HA GLY 15 2HA GLY 15 -27.923 -0.810 -13.012 137 2HA GLY 15 1HA GLY 15 -28.570 -0.004 -14.440 138 H GLN 16 H GLN 16 -26.615 -2.319 -14.057 139 HA GLN 16 HA GLN 16 -24.039 -1.418 -14.990 140 1HB GLN 16 2HB GLN 16 -25.238 -4.160 -15.447 141 2HB GLN 16 1HB GLN 16 -23.531 -3.737 -15.311 142 1HG GLN 16 2HG GLN 16 -23.595 -3.654 -13.029 143 2HG GLN 16 1HG GLN 16 -25.227 -2.984 -12.999 144 1HE2 GLN 16 2HE2 GLN 16 -25.307 -6.983 -13.834 145 2HE2 GLN 16 1HE2 GLN 16 -24.427 -5.920 -14.823 146 H THR 17 H THR 17 -27.080 -1.880 -16.524 147 HA THR 17 HA THR 17 -26.099 -2.429 -19.190 148 HB THR 17 HB THR 17 -28.727 -1.260 -18.225 149 HG1 THR 17 HG1 THR 17 -28.033 -3.502 -17.717 150 1HG2 THR 17 1HG2 THR 17 -27.593 -1.610 -20.899 151 2HG2 THR 17 3HG2 THR 17 -29.131 -2.450 -20.696 152 3HG2 THR 17 2HG2 THR 17 -29.026 -0.714 -20.397 153 H LYS 18 H LYS 18 -26.953 0.527 -17.412 154 HA LYS 18 HA LYS 18 -26.529 2.271 -19.686 155 1HB LYS 18 2HB LYS 18 -26.644 2.806 -16.706 156 2HB LYS 18 1HB LYS 18 -26.493 4.077 -17.920 157 1HG LYS 18 2HG LYS 18 -28.587 3.021 -19.008 158 2HG LYS 18 1HG LYS 18 -28.797 2.179 -17.473 159 1HD LYS 18 2HD LYS 18 -28.346 4.721 -16.595 160 2HD LYS 18 1HD LYS 18 -29.172 5.041 -18.121 161 1HE LYS 18 2HE LYS 18 -30.938 3.367 -17.388 162 2HE LYS 18 1HE LYS 18 -30.172 3.373 -15.800 163 1HZ LYS 18 2HZ LYS 18 -31.078 5.844 -17.164 164 2HZ LYS 18 1HZ LYS 18 -32.066 4.964 -16.097 165 3HZ LYS 18 3HZ LYS 18 -30.623 5.658 -15.536 166 H THR 19 H THR 19 -24.540 1.182 -16.964 167 HA THR 19 HA THR 19 -22.294 2.887 -17.553 168 HB THR 19 HB THR 19 -22.025 0.179 -16.255 169 HG1 THR 19 HG1 THR 19 -23.794 1.019 -15.261 170 1HG2 THR 19 3HG2 THR 19 -20.575 2.767 -16.323 171 2HG2 THR 19 2HG2 THR 19 -20.654 1.973 -14.749 172 3HG2 THR 19 1HG2 THR 19 -19.948 1.130 -16.129 173 H ALA 20 H ALA 20 -23.426 -0.144 -18.853 174 HA ALA 20 HA ALA 20 -20.877 -0.746 -20.182 175 1HB ALA 20 1HB ALA 20 -23.613 -1.991 -20.125 176 2HB ALA 20 3HB ALA 20 -22.481 -2.437 -21.403 177 3HB ALA 20 2HB ALA 20 -22.056 -2.710 -19.713 178 H LYS 21 H LYS 21 -23.988 0.718 -20.977 179 HA LYS 21 HA LYS 21 -23.488 0.873 -23.827 180 1HB LYS 21 2HB LYS 21 -25.653 1.397 -22.107 181 2HB LYS 21 1HB LYS 21 -25.254 2.951 -22.839 182 1HG LYS 21 2HG LYS 21 -25.139 0.836 -24.817 183 2HG LYS 21 1HG LYS 21 -26.715 0.861 -24.025 184 1HD LYS 21 2HD LYS 21 -26.184 3.549 -24.428 185 2HD LYS 21 1HD LYS 21 -25.540 2.794 -25.887 186 1HE LYS 21 2HE LYS 21 -27.603 2.246 -26.649 187 2HE LYS 21 1HE LYS 21 -28.139 1.706 -25.058 188 1HZ LYS 21 3HZ LYS 21 -27.786 4.486 -24.995 189 2HZ LYS 21 2HZ LYS 21 -28.736 4.105 -26.352 190 3HZ LYS 21 1HZ LYS 21 -29.221 3.602 -24.804 191 H ASP 22 H ASP 22 -22.719 2.872 -21.053 192 HA ASP 22 HA ASP 22 -21.936 5.172 -22.688 193 1HB ASP 22 2HB ASP 22 -22.065 4.515 -19.800 194 2HB ASP 22 1HB ASP 22 -20.792 5.644 -20.268 195 H LEU 23 H LEU 23 -20.280 2.644 -20.820 196 HA LEU 23 HA LEU 23 -17.653 3.534 -21.779 197 1HB LEU 23 2HB LEU 23 -18.573 1.201 -20.085 198 2HB LEU 23 1HB LEU 23 -16.887 1.439 -20.552 199 HG LEU 23 HG LEU 23 -17.846 3.934 -19.590 200 1HD1 LEU 23 2HD1 LEU 23 -18.826 1.553 -18.078 201 2HD1 LEU 23 1HD1 LEU 23 -18.218 2.925 -17.150 202 3HD1 LEU 23 3HD1 LEU 23 -19.564 3.144 -18.269 203 1HD2 LEU 23 1HD2 LEU 23 -15.528 2.833 -19.515 204 2HD2 LEU 23 3HD2 LEU 23 -16.016 3.719 -18.070 205 3HD2 LEU 23 2HD2 LEU 23 -16.107 1.958 -18.096 206 H GLY 24 H GLY 24 -20.160 1.729 -23.077 207 1HA GLY 24 2HA GLY 24 -20.276 0.407 -25.008 208 2HA GLY 24 1HA GLY 24 -18.624 0.915 -25.357 209 H VAL 25 H VAL 25 -19.431 -0.683 -22.344 210 HA VAL 25 HA VAL 25 -17.750 -2.982 -23.225 211 HB VAL 25 HB VAL 25 -18.627 -2.610 -20.384 212 1HG1 VAL 25 2HG1 VAL 25 -16.111 -3.557 -21.785 213 2HG1 VAL 25 1HG1 VAL 25 -16.273 -3.429 -20.032 214 3HG1 VAL 25 3HG1 VAL 25 -17.289 -4.554 -20.933 215 1HG2 VAL 25 2HG2 VAL 25 -16.605 -0.912 -21.865 216 2HG2 VAL 25 1HG2 VAL 25 -17.955 -0.368 -20.870 217 3HG2 VAL 25 3HG2 VAL 25 -16.554 -1.128 -20.115 218 OH TYR 26 OH TYR 26 -15.352 -6.970 -25.866 219 H TYR 26 H TYR 26 -18.480 -5.158 -22.295 220 HA TYR 26 HA TYR 26 -21.280 -5.572 -23.020 221 1HB TYR 26 2HB TYR 26 -19.753 -7.742 -21.666 222 2HB TYR 26 1HB TYR 26 -20.764 -7.812 -23.107 223 HD1 TYR 26 HD1 TYR 26 -19.863 -6.711 -25.259 224 HD2 TYR 26 HD2 TYR 26 -17.410 -7.609 -21.850 225 HE1 TYR 26 HE1 TYR 26 -17.837 -6.593 -26.685 226 HE2 TYR 26 HE2 TYR 26 -15.384 -7.489 -23.275 227 HH TYR 26 HH TYR 26 -14.582 -7.019 -25.294 228 H GLN 27 H GLN 27 -22.831 -6.646 -21.536 229 HA GLN 27 HA GLN 27 -22.946 -5.320 -18.981 230 1HB GLN 27 2HB GLN 27 -24.506 -7.742 -19.934 231 2HB GLN 27 1HB GLN 27 -24.940 -6.691 -18.586 232 1HG GLN 27 2HG GLN 27 -25.498 -4.905 -19.985 233 2HG GLN 27 1HG GLN 27 -24.504 -5.506 -21.313 234 1HE2 GLN 27 2HE2 GLN 27 -28.377 -6.498 -21.219 235 2HE2 GLN 27 1HE2 GLN 27 -27.703 -5.263 -20.271 236 H SER 28 H SER 28 -21.770 -8.452 -20.048 237 HA SER 28 HA SER 28 -21.541 -9.557 -17.364 238 1HB SER 28 2HB SER 28 -19.875 -10.516 -19.668 239 2HB SER 28 1HB SER 28 -20.649 -11.450 -18.391 240 HG SER 28 HG SER 28 -22.677 -10.610 -19.411 241 H ALA 29 H ALA 29 -19.801 -7.235 -19.120 242 HA ALA 29 HA ALA 29 -17.225 -7.807 -17.785 243 1HB ALA 29 3HB ALA 29 -17.739 -6.734 -20.212 244 2HB ALA 29 2HB ALA 29 -17.661 -5.254 -19.256 245 3HB ALA 29 1HB ALA 29 -16.280 -6.351 -19.297 246 H ILE 30 H ILE 30 -19.980 -5.661 -17.597 247 HA ILE 30 HA ILE 30 -18.779 -3.873 -15.634 248 HB ILE 30 HB ILE 30 -21.697 -4.323 -16.334 249 1HG1 ILE 30 2HG1 ILE 30 -20.270 -3.677 -18.283 250 2HG1 ILE 30 1HG1 ILE 30 -21.433 -2.424 -17.850 251 1HG2 ILE 30 3HG2 ILE 30 -21.098 -3.138 -14.157 252 2HG2 ILE 30 2HG2 ILE 30 -20.378 -1.875 -15.154 253 3HG2 ILE 30 1HG2 ILE 30 -22.102 -2.222 -15.280 254 1HD1 ILE 30 2HD1 ILE 30 -19.176 -1.884 -16.274 255 2HD1 ILE 30 1HD1 ILE 30 -18.533 -2.301 -17.862 256 3HD1 ILE 30 3HD1 ILE 30 -19.701 -0.990 -17.700 257 H ASN 31 H ASN 31 -20.877 -6.712 -15.602 258 HA ASN 31 HA ASN 31 -21.284 -6.634 -12.714 259 1HB ASN 31 2HB ASN 31 -22.732 -7.779 -14.604 260 2HB ASN 31 1HB ASN 31 -21.624 -9.128 -14.351 261 1HD2 ASN 31 2HD2 ASN 31 -24.118 -9.964 -11.886 262 2HD2 ASN 31 1HD2 ASN 31 -23.705 -10.211 -13.513 263 H LYS 32 H LYS 32 -19.058 -8.183 -14.962 264 HA LYS 32 HA LYS 32 -17.864 -9.903 -12.934 265 1HB LYS 32 2HB LYS 32 -17.054 -9.106 -15.739 266 2HB LYS 32 1HB LYS 32 -16.056 -10.153 -14.729 267 1HG LYS 32 2HG LYS 32 -17.848 -11.778 -14.543 268 2HG LYS 32 1HG LYS 32 -18.962 -10.704 -15.390 269 1HD LYS 32 2HD LYS 32 -18.100 -11.211 -17.438 270 2HD LYS 32 1HD LYS 32 -16.445 -11.283 -16.831 271 1HE LYS 32 2HE LYS 32 -18.345 -13.416 -15.956 272 2HE LYS 32 1HE LYS 32 -17.729 -13.488 -17.607 273 1HZ LYS 32 1HZ LYS 32 -15.557 -12.899 -16.025 274 2HZ LYS 32 3HZ LYS 32 -16.403 -14.096 -15.172 275 3HZ LYS 32 2HZ LYS 32 -15.903 -14.386 -16.769 276 H ALA 33 H ALA 33 -17.351 -6.667 -14.167 277 HA ALA 33 HA ALA 33 -14.704 -6.310 -13.058 278 1HB ALA 33 2HB ALA 33 -15.905 -4.883 -14.859 279 2HB ALA 33 1HB ALA 33 -16.695 -4.084 -13.499 280 3HB ALA 33 3HB ALA 33 -14.938 -4.031 -13.655 281 H ILE 34 H ILE 34 -17.980 -5.506 -11.945 282 HA ILE 34 HA ILE 34 -17.106 -4.379 -9.430 283 HB ILE 34 HB ILE 34 -19.760 -5.456 -10.412 284 1HG1 ILE 34 2HG1 ILE 34 -19.200 -2.645 -9.526 285 2HG1 ILE 34 1HG1 ILE 34 -18.605 -3.171 -11.103 286 1HG2 ILE 34 2HG2 ILE 34 -19.066 -4.232 -7.725 287 2HG2 ILE 34 1HG2 ILE 34 -20.711 -4.452 -8.321 288 3HG2 ILE 34 3HG2 ILE 34 -19.690 -5.856 -8.014 289 1HD1 ILE 34 1HD1 ILE 34 -21.455 -3.731 -10.332 290 2HD1 ILE 34 3HD1 ILE 34 -21.009 -2.128 -10.915 291 3HD1 ILE 34 2HD1 ILE 34 -20.756 -3.541 -11.940 292 H HIS 35 H HIS 35 -17.912 -7.599 -10.570 293 HA HIS 35 HA HIS 35 -18.085 -8.859 -7.990 294 1HB HIS 35 2HB HIS 35 -17.642 -9.806 -10.805 295 2HB HIS 35 1HB HIS 35 -17.376 -10.927 -9.470 296 HD1 HIS 35 HD1 HIS 35 -19.804 -10.978 -11.609 297 HD2 HIS 35 HD2 HIS 35 -19.995 -9.675 -7.653 298 HE1 HIS 35 HE1 HIS 35 -22.232 -11.160 -10.912 299 H ALA 36 H ALA 36 -15.435 -7.754 -9.931 300 HA ALA 36 HA ALA 36 -13.428 -9.457 -8.669 301 1HB ALA 36 2HB ALA 36 -13.134 -8.473 -10.950 302 2HB ALA 36 1HB ALA 36 -13.053 -6.873 -10.215 303 3HB ALA 36 3HB ALA 36 -11.808 -8.069 -9.858 304 H GLY 37 H GLY 37 -14.937 -6.389 -7.994 305 1HA GLY 37 2HA GLY 37 -14.729 -4.953 -6.152 306 2HA GLY 37 1HA GLY 37 -13.961 -6.302 -5.314 307 NH1 ARG 38 NH2 ARG 38 -7.521 -6.240 -11.326 308 NH2 ARG 38 NH1 ARG 38 -9.708 -6.494 -11.839 309 H ARG 38 H ARG 38 -12.770 -4.812 -8.298 310 HA ARG 38 HA ARG 38 -10.201 -4.298 -6.929 311 1HB ARG 38 2HB ARG 38 -10.776 -5.203 -9.444 312 2HB ARG 38 1HB ARG 38 -10.507 -3.487 -9.755 313 1HG ARG 38 2HG ARG 38 -8.330 -4.267 -9.900 314 2HG ARG 38 1HG ARG 38 -8.405 -3.882 -8.179 315 1HD ARG 38 2HD ARG 38 -7.453 -6.117 -8.482 316 2HD ARG 38 1HD ARG 38 -9.031 -6.242 -7.704 317 HE ARG 38 HE ARG 38 -9.497 -7.667 -9.525 318 1HH1 ARG 38 1HH2 ARG 38 -6.779 -6.266 -10.655 319 2HH1 ARG 38 2HH2 ARG 38 -7.327 -5.991 -12.276 320 1HH2 ARG 38 2HH1 ARG 38 -10.642 -6.716 -11.560 321 2HH2 ARG 38 1HH1 ARG 38 -9.515 -6.244 -12.787 322 H LYS 39 H LYS 39 -9.119 -2.118 -7.616 323 HA LYS 39 HA LYS 39 -10.878 0.026 -6.707 324 1HB LYS 39 2HB LYS 39 -8.100 0.370 -7.843 325 2HB LYS 39 1HB LYS 39 -8.923 1.372 -6.646 326 1HG LYS 39 2HG LYS 39 -8.860 -1.322 -5.675 327 2HG LYS 39 1HG LYS 39 -7.230 -0.872 -6.178 328 1HD LYS 39 2HD LYS 39 -7.110 0.906 -4.666 329 2HD LYS 39 1HD LYS 39 -8.864 1.049 -4.546 330 1HE LYS 39 2HE LYS 39 -7.085 -1.070 -3.327 331 2HE LYS 39 1HE LYS 39 -8.171 0.045 -2.497 332 1HZ LYS 39 2HZ LYS 39 -9.936 -1.121 -4.004 333 2HZ LYS 39 1HZ LYS 39 -8.800 -2.383 -4.010 334 3HZ LYS 39 3HZ LYS 39 -9.441 -1.829 -2.541 335 H ILE 40 H ILE 40 -12.432 -0.079 -8.465 336 HA ILE 40 HA ILE 40 -11.429 1.234 -10.959 337 HB ILE 40 HB ILE 40 -13.766 -0.648 -10.518 338 1HG1 ILE 40 2HG1 ILE 40 -11.887 -1.056 -12.746 339 2HG1 ILE 40 1HG1 ILE 40 -11.128 -1.146 -11.156 340 1HG2 ILE 40 3HG2 ILE 40 -13.427 1.501 -12.450 341 2HG2 ILE 40 2HG2 ILE 40 -13.552 -0.067 -13.248 342 3HG2 ILE 40 1HG2 ILE 40 -14.830 0.474 -12.160 343 1HD1 ILE 40 2HD1 ILE 40 -13.424 -2.578 -10.735 344 2HD1 ILE 40 1HD1 ILE 40 -13.069 -2.975 -12.417 345 3HD1 ILE 40 3HD1 ILE 40 -11.870 -3.295 -11.164 346 H PHE 41 H PHE 41 -11.781 3.364 -10.581 347 HA PHE 41 HA PHE 41 -14.290 4.214 -9.259 348 1HB PHE 41 2HB PHE 41 -11.950 5.915 -10.154 349 2HB PHE 41 1HB PHE 41 -13.200 6.339 -8.980 350 HD1 PHE 41 HD1 PHE 41 -13.491 4.472 -7.042 351 HD2 PHE 41 HD2 PHE 41 -9.890 5.188 -9.277 352 HE1 PHE 41 HE1 PHE 41 -12.161 3.444 -5.226 353 HE2 PHE 41 HE2 PHE 41 -8.565 4.159 -7.454 354 HZ PHE 41 HZ PHE 41 -9.697 3.288 -5.431 355 H LEU 42 H LEU 42 -15.532 6.031 -10.263 356 HA LEU 42 HA LEU 42 -15.302 6.071 -13.244 357 1HB LEU 42 2HB LEU 42 -17.347 4.825 -11.714 358 2HB LEU 42 1HB LEU 42 -18.050 6.278 -12.419 359 HG LEU 42 HG LEU 42 -17.295 5.583 -14.652 360 1HD1 LEU 42 3HD1 LEU 42 -15.262 4.359 -13.919 361 2HD1 LEU 42 2HD1 LEU 42 -16.285 3.100 -13.234 362 3HD1 LEU 42 1HD1 LEU 42 -16.270 3.372 -14.975 363 1HD2 LEU 42 2HD2 LEU 42 -19.346 4.477 -13.170 364 2HD2 LEU 42 1HD2 LEU 42 -19.129 4.269 -14.908 365 3HD2 LEU 42 3HD2 LEU 42 -18.514 3.052 -13.789 366 H THR 43 H THR 43 -14.738 8.193 -13.590 367 HA THR 43 HA THR 43 -16.095 10.298 -11.982 368 HB THR 43 HB THR 43 -13.673 10.312 -13.794 369 HG1 THR 43 HG1 THR 43 -13.923 9.816 -11.321 370 1HG2 THR 43 2HG2 THR 43 -15.165 12.644 -12.569 371 2HG2 THR 43 1HG2 THR 43 -13.517 12.755 -13.186 372 3HG2 THR 43 3HG2 THR 43 -14.843 12.365 -14.280 373 H ILE 44 H ILE 44 -17.820 11.351 -12.867 374 HA ILE 44 HA ILE 44 -18.072 11.299 -15.849 375 HB ILE 44 HB ILE 44 -20.509 11.721 -14.204 376 1HG1 ILE 44 2HG1 ILE 44 -19.246 8.975 -14.487 377 2HG1 ILE 44 1HG1 ILE 44 -19.271 9.904 -12.987 378 1HG2 ILE 44 2HG2 ILE 44 -19.724 10.258 -16.726 379 2HG2 ILE 44 1HG2 ILE 44 -21.308 10.028 -15.984 380 3HG2 ILE 44 3HG2 ILE 44 -20.823 11.627 -16.551 381 1HD1 ILE 44 1HD1 ILE 44 -21.917 9.977 -13.831 382 2HD1 ILE 44 3HD1 ILE 44 -21.403 8.339 -14.235 383 3HD1 ILE 44 2HD1 ILE 44 -21.265 8.922 -12.577 384 H ASN 45 H ASN 45 -18.273 13.268 -16.834 385 HA ASN 45 HA ASN 45 -18.172 15.671 -15.120 386 1HB ASN 45 2HB ASN 45 -17.544 15.040 -17.966 387 2HB ASN 45 1HB ASN 45 -18.037 16.692 -17.593 388 1HD2 ASN 45 2HD2 ASN 45 -14.709 15.353 -15.568 389 2HD2 ASN 45 1HD2 ASN 45 -16.037 14.312 -15.752 390 H ALA 46 H ALA 46 -19.702 17.353 -15.249 391 HA ALA 46 HA ALA 46 -22.391 16.830 -15.291 392 1HB ALA 46 3HB ALA 46 -20.756 19.216 -15.616 393 2HB ALA 46 2HB ALA 46 -22.274 19.343 -16.506 394 3HB ALA 46 1HB ALA 46 -22.293 19.021 -14.773 395 H ASP 47 H ASP 47 -20.342 17.110 -18.122 396 HA ASP 47 HA ASP 47 -22.652 17.219 -19.945 397 1HB ASP 47 2HB ASP 47 -19.708 17.455 -20.182 398 2HB ASP 47 1HB ASP 47 -20.523 16.713 -21.559 399 H GLY 48 H GLY 48 -22.440 14.910 -18.162 400 1HA GLY 48 2HA GLY 48 -22.537 12.567 -18.251 401 2HA GLY 48 1HA GLY 48 -23.132 12.817 -19.894 402 H SER 49 H SER 49 -19.943 13.849 -18.802 403 HA SER 49 HA SER 49 -18.740 12.207 -20.938 404 1HB SER 49 2HB SER 49 -17.138 13.797 -20.921 405 2HB SER 49 1HB SER 49 -18.096 14.657 -19.722 406 HG SER 49 HG SER 49 -16.048 14.276 -18.892 407 H VAL 50 H VAL 50 -18.572 10.053 -20.368 408 HA VAL 50 HA VAL 50 -18.026 9.287 -17.606 409 HB VAL 50 HB VAL 50 -18.142 7.668 -20.169 410 1HG1 VAL 50 1HG1 VAL 50 -16.658 6.661 -18.418 411 2HG1 VAL 50 3HG1 VAL 50 -18.020 6.694 -17.300 412 3HG1 VAL 50 2HG1 VAL 50 -18.095 5.693 -18.749 413 1HG2 VAL 50 1HG2 VAL 50 -20.166 8.824 -18.645 414 2HG2 VAL 50 3HG2 VAL 50 -20.363 7.480 -19.771 415 3HG2 VAL 50 2HG2 VAL 50 -20.100 7.162 -18.056 416 OH TYR 51 OH TYR 51 -8.036 9.533 -15.766 417 H TYR 51 H TYR 51 -16.090 8.628 -16.753 418 HA TYR 51 HA TYR 51 -13.747 8.203 -18.483 419 1HB TYR 51 2HB TYR 51 -13.529 10.566 -18.286 420 2HB TYR 51 1HB TYR 51 -14.025 10.549 -16.594 421 HD1 TYR 51 HD1 TYR 51 -11.506 8.576 -18.563 422 HD2 TYR 51 HD2 TYR 51 -12.254 11.165 -15.218 423 HE1 TYR 51 HE1 TYR 51 -9.134 8.367 -17.868 424 HE2 TYR 51 HE2 TYR 51 -9.883 10.956 -14.525 425 HH TYR 51 HH TYR 51 -7.923 10.026 -14.949 426 H ALA 52 H ALA 52 -14.006 6.083 -17.483 427 HA ALA 52 HA ALA 52 -13.812 5.832 -14.583 428 1HB ALA 52 1HB ALA 52 -14.984 4.200 -16.166 429 2HB ALA 52 3HB ALA 52 -13.374 3.641 -16.620 430 3HB ALA 52 2HB ALA 52 -13.927 3.478 -14.953 431 H GLU 53 H GLU 53 -12.018 4.940 -13.447 432 HA GLU 53 HA GLU 53 -9.433 4.820 -14.918 433 1HB GLU 53 2HB GLU 53 -10.259 6.857 -12.988 434 2HB GLU 53 1HB GLU 53 -8.778 6.030 -12.505 435 1HG GLU 53 2HG GLU 53 -8.676 6.575 -15.327 436 2HG GLU 53 1HG GLU 53 -9.058 8.063 -14.460 437 H GLU 54 H GLU 54 -7.726 3.853 -13.531 438 HA GLU 54 HA GLU 54 -8.868 1.990 -11.487 439 1HB GLU 54 2HB GLU 54 -8.227 0.886 -13.705 440 2HB GLU 54 1HB GLU 54 -6.558 1.327 -13.338 441 1HG GLU 54 2HG GLU 54 -6.948 0.161 -11.066 442 2HG GLU 54 1HG GLU 54 -8.374 -0.549 -11.824 443 H VAL 55 H VAL 55 -7.638 1.908 -9.577 444 HA VAL 55 HA VAL 55 -4.961 3.162 -9.626 445 HB VAL 55 HB VAL 55 -6.694 4.172 -7.442 446 1HG1 VAL 55 2HG1 VAL 55 -4.220 4.738 -8.236 447 2HG1 VAL 55 1HG1 VAL 55 -5.066 5.826 -9.337 448 3HG1 VAL 55 3HG1 VAL 55 -5.270 6.001 -7.595 449 1HG2 VAL 55 1HG2 VAL 55 -8.229 4.249 -9.418 450 2HG2 VAL 55 3HG2 VAL 55 -7.776 5.857 -8.849 451 3HG2 VAL 55 2HG2 VAL 55 -7.012 5.183 -10.288 452 H LYS 56 H LYS 56 -3.874 1.441 -8.843 453 HA LYS 56 HA LYS 56 -4.447 0.572 -6.077 454 1HB LYS 56 2HB LYS 56 -5.691 -1.097 -7.220 455 2HB LYS 56 1HB LYS 56 -4.507 -1.211 -8.517 456 1HG LYS 56 2HG LYS 56 -3.600 -2.958 -7.417 457 2HG LYS 56 1HG LYS 56 -3.082 -1.831 -6.166 458 1HD LYS 56 2HD LYS 56 -5.564 -2.099 -5.318 459 2HD LYS 56 1HD LYS 56 -5.495 -3.607 -6.229 460 1HE LYS 56 2HE LYS 56 -3.484 -4.281 -4.980 461 2HE LYS 56 1HE LYS 56 -3.527 -2.766 -4.078 462 1HZ LYS 56 1HZ LYS 56 -6.056 -3.954 -3.931 463 2HZ LYS 56 3HZ LYS 56 -4.906 -5.140 -3.543 464 3HZ LYS 56 2HZ LYS 56 -4.946 -3.681 -2.673 465 HA PRO 57 HA PRO 57 -0.041 0.829 -6.118 466 1HB PRO 57 2HB PRO 57 0.415 -0.426 -3.708 467 2HB PRO 57 1HB PRO 57 -0.159 1.245 -3.859 468 1HG PRO 57 2HG PRO 57 -1.690 -1.210 -3.107 469 2HG PRO 57 1HG PRO 57 -1.966 0.475 -2.633 470 1HD PRO 57 2HD PRO 57 -3.423 -0.912 -4.597 471 2HD PRO 57 1HD PRO 57 -3.375 0.855 -4.410 472 H PHE 58 H PHE 58 1.683 -0.467 -6.732 473 HA PHE 58 HA PHE 58 1.071 -3.277 -7.381 474 1HB PHE 58 2HB PHE 58 2.620 -3.012 -9.042 475 2HB PHE 58 1HB PHE 58 2.472 -1.299 -8.682 476 HD1 PHE 58 HD1 PHE 58 3.896 -0.775 -6.302 477 HD2 PHE 58 HD2 PHE 58 4.838 -3.651 -9.350 478 HE1 PHE 58 HE1 PHE 58 6.282 -0.704 -5.632 479 HE2 PHE 58 HE2 PHE 58 7.225 -3.578 -8.681 480 HZ PHE 58 HZ PHE 58 7.948 -2.104 -6.821 481 HA PRO 59 HA PRO 59 3.087 -4.554 -8.209 482 1HB PRO 59 2HB PRO 59 3.662 -7.175 -7.654 483 2HB PRO 59 1HB PRO 59 4.902 -5.919 -7.820 484 1HG PRO 59 2HG PRO 59 3.889 -7.242 -5.349 485 2HG PRO 59 1HG PRO 59 5.462 -6.486 -5.652 486 1HD PRO 59 2HD PRO 59 3.304 -5.337 -4.214 487 2HD PRO 59 1HD PRO 59 4.761 -4.490 -4.776 488 H SER 60 H SER 60 1.394 -5.739 -5.393 489 HA SER 60 HA SER 60 -0.273 -7.733 -6.313 490 1HB SER 60 2HB SER 60 -2.082 -6.611 -4.858 491 2HB SER 60 1HB SER 60 -0.570 -7.050 -4.069 492 HG SER 60 HG SER 60 -0.293 -5.019 -3.658 493 H ASN 61 H ASN 61 -0.727 -7.517 -8.550 494 HA ASN 61 HA ASN 61 -3.115 -5.947 -9.146 495 1HB ASN 61 2HB ASN 61 -0.423 -5.067 -10.032 496 2HB ASN 61 1HB ASN 61 -1.671 -5.085 -11.279 497 1HD2 ASN 61 2HD2 ASN 61 -3.684 -2.584 -9.598 498 2HD2 ASN 61 1HD2 ASN 61 -3.834 -3.990 -10.539 499 H LYS 62 H LYS 62 -2.113 -8.761 -9.158 500 HA LYS 62 HA LYS 62 -2.136 -9.431 -12.043 501 1HB LYS 62 2HB LYS 62 -1.377 -10.819 -9.526 502 2HB LYS 62 1HB LYS 62 -2.034 -11.833 -10.811 503 1HG LYS 62 2HG LYS 62 -0.314 -10.250 -12.226 504 2HG LYS 62 1HG LYS 62 0.537 -10.384 -10.685 505 1HD LYS 62 2HD LYS 62 -0.581 -12.940 -11.528 506 2HD LYS 62 1HD LYS 62 0.533 -12.284 -12.727 507 1HE LYS 62 2HE LYS 62 1.934 -13.500 -11.265 508 2HE LYS 62 1HE LYS 62 2.106 -11.831 -10.720 509 1HZ LYS 62 3HZ LYS 62 0.133 -12.443 -9.193 510 2HZ LYS 62 2HZ LYS 62 0.618 -14.045 -9.481 511 3HZ LYS 62 1HZ LYS 62 1.697 -12.943 -8.768 512 H LYS 63 H LYS 63 -3.463 -11.721 -12.260 513 HA LYS 63 HA LYS 63 -6.166 -11.287 -11.072 514 1HB LYS 63 2HB LYS 63 -5.465 -10.810 -13.769 515 2HB LYS 63 1HB LYS 63 -6.351 -12.335 -13.761 516 1HG LYS 63 2HG LYS 63 -8.281 -11.363 -12.865 517 2HG LYS 63 1HG LYS 63 -7.397 -9.992 -12.195 518 1HD LYS 63 2HD LYS 63 -7.819 -8.798 -14.052 519 2HD LYS 63 1HD LYS 63 -6.992 -10.013 -15.026 520 1HE LYS 63 2HE LYS 63 -9.012 -11.278 -15.320 521 2HE LYS 63 1HE LYS 63 -9.862 -10.313 -14.114 522 1HZ LYS 63 1HZ LYS 63 -8.946 -8.473 -15.895 523 2HZ LYS 63 3HZ LYS 63 -9.402 -9.769 -16.889 524 3HZ LYS 63 2HZ LYS 63 -10.531 -9.080 -15.822 525 H THR 64 H THR 64 -7.387 -13.453 -12.445 526 HA THR 64 HA THR 64 -5.926 -15.728 -11.187 527 HB THR 64 HB THR 64 -8.839 -15.342 -11.909 528 HG1 THR 64 HG1 THR 64 -7.439 -15.772 -9.482 529 1HG2 THR 64 2HG2 THR 64 -7.267 -17.783 -11.598 530 2HG2 THR 64 1HG2 THR 64 -8.607 -17.695 -10.453 531 3HG2 THR 64 3HG2 THR 64 -8.917 -17.580 -12.187 532 H THR 65 H THR 65 -8.411 -16.022 -13.657 533 HA THR 65 HA THR 65 -6.490 -17.556 -15.314 534 HB THR 65 HB THR 65 -9.361 -17.207 -16.082 535 HG1 THR 65 HG1 THR 65 -8.374 -18.578 -13.828 536 1HG2 THR 65 1HG2 THR 65 -7.142 -18.961 -16.662 537 2HG2 THR 65 3HG2 THR 65 -8.515 -19.897 -16.071 538 3HG2 THR 65 2HG2 THR 65 -8.704 -18.845 -17.474 539 H ALA 66 HN ALA 66 -6.142 -14.709 -15.206 540 HA ALA 66 HA ALA 66 -7.207 -13.746 -17.806 541 1HB ALA 66 3HB ALA 66 -7.224 -12.333 -15.657 542 2HB ALA 66 2HB ALA 66 -5.479 -12.192 -15.873 543 3HB ALA 66 1HB ALA 66 -6.575 -11.561 -17.103 544 1H MET 1 2H MET 1 9.120 19.840 -9.404 545 2H MET 1 1H MET 1 10.461 20.762 -8.917 546 3H MET 1 3H MET 1 9.843 20.929 -10.489 547 HA MET 1 HA MET 1 11.010 19.220 -11.263 548 1HB MET 1 2HB MET 1 13.005 18.654 -9.980 549 2HB MET 1 1HB MET 1 12.673 20.377 -9.791 550 1HG MET 1 2HG MET 1 11.301 19.612 -7.694 551 2HG MET 1 1HG MET 1 12.278 18.149 -7.811 552 1HE MET 1 3HE MET 1 12.150 19.316 -5.517 553 2HE MET 1 2HE MET 1 13.832 18.941 -5.154 554 3HE MET 1 1HE MET 1 13.241 20.588 -4.952 555 H GLU 2 H GLU 2 8.626 18.179 -10.627 556 HA GLU 2 HA GLU 2 8.661 16.076 -8.663 557 1HB GLU 2 2HB GLU 2 6.842 17.077 -10.704 558 2HB GLU 2 1HB GLU 2 6.839 15.312 -10.651 559 1HG GLU 2 2HG GLU 2 5.177 16.199 -9.080 560 2HG GLU 2 1HG GLU 2 6.480 15.406 -8.196 561 H GLN 3 H GLN 3 9.978 14.323 -8.785 562 HA GLN 3 HA GLN 3 11.155 13.484 -11.324 563 1HB GLN 3 2HB GLN 3 11.430 12.745 -8.457 564 2HB GLN 3 1HB GLN 3 11.805 11.481 -9.629 565 1HG GLN 3 2HG GLN 3 13.672 12.550 -10.381 566 2HG GLN 3 1HG GLN 3 12.923 14.143 -10.266 567 1HE2 GLN 3 2HE2 GLN 3 15.264 14.476 -7.562 568 2HE2 GLN 3 1HE2 GLN 3 15.057 14.783 -9.217 569 NH1 ARG 4 NH2 ARG 4 3.977 9.780 -12.930 570 NH2 ARG 4 NH1 ARG 4 2.546 11.450 -12.412 571 H ARG 4 H ARG 4 9.056 13.018 -12.405 572 HA ARG 4 HA ARG 4 7.798 10.477 -11.474 573 1HB ARG 4 2HB ARG 4 6.842 12.742 -13.220 574 2HB ARG 4 1HB ARG 4 6.044 11.169 -13.254 575 1HG ARG 4 2HG ARG 4 6.514 12.787 -10.733 576 2HG ARG 4 1HG ARG 4 4.997 12.771 -11.635 577 1HD ARG 4 2HD ARG 4 6.012 10.082 -11.062 578 2HD ARG 4 1HD ARG 4 5.667 11.013 -9.605 579 HE ARG 4 HE ARG 4 3.411 10.573 -10.086 580 1HH1 ARG 4 1HH2 ARG 4 4.714 9.158 -12.666 581 2HH1 ARG 4 2HH2 ARG 4 3.599 9.743 -13.856 582 1HH2 ARG 4 2HH1 ARG 4 2.186 12.109 -11.752 583 2HH2 ARG 4 1HH1 ARG 4 2.169 11.413 -13.338 584 H ILE 5 H ILE 5 8.455 8.673 -12.524 585 HA ILE 5 HA ILE 5 8.936 8.808 -15.447 586 HB ILE 5 HB ILE 5 10.926 7.596 -13.509 587 1HG1 ILE 5 2HG1 ILE 5 12.342 9.495 -14.719 588 2HG1 ILE 5 1HG1 ILE 5 10.755 10.245 -14.898 589 1HG2 ILE 5 2HG2 ILE 5 10.412 6.954 -16.158 590 2HG2 ILE 5 1HG2 ILE 5 11.738 8.111 -16.276 591 3HG2 ILE 5 3HG2 ILE 5 11.926 6.650 -15.305 592 1HD1 ILE 5 3HD1 ILE 5 10.711 9.398 -12.274 593 2HD1 ILE 5 2HD1 ILE 5 12.393 9.887 -12.484 594 3HD1 ILE 5 1HD1 ILE 5 11.092 11.037 -12.801 595 H THR 6 H THR 6 8.455 6.834 -16.482 596 HA THR 6 HA THR 6 6.695 5.044 -15.091 597 HB THR 6 HB THR 6 8.128 4.288 -17.628 598 HG1 THR 6 HG1 THR 6 6.012 6.155 -17.340 599 1HG2 THR 6 2HG2 THR 6 5.477 3.766 -16.325 600 2HG2 THR 6 1HG2 THR 6 5.616 3.654 -18.080 601 3HG2 THR 6 3HG2 THR 6 6.608 2.623 -17.050 602 H LEU 7 H LEU 7 7.087 2.685 -14.800 603 HA LEU 7 HA LEU 7 9.532 2.198 -13.362 604 1HB LEU 7 2HB LEU 7 7.623 0.971 -12.652 605 2HB LEU 7 1HB LEU 7 7.264 0.431 -14.290 606 HG LEU 7 HG LEU 7 9.257 -0.971 -14.311 607 1HD1 LEU 7 2HD1 LEU 7 10.556 0.648 -12.813 608 2HD1 LEU 7 1HD1 LEU 7 9.749 -0.126 -11.449 609 3HD1 LEU 7 3HD1 LEU 7 10.807 -1.070 -12.497 610 1HD2 LEU 7 3HD2 LEU 7 7.418 -1.216 -11.931 611 2HD2 LEU 7 2HD2 LEU 7 7.419 -2.158 -13.422 612 3HD2 LEU 7 1HD2 LEU 7 8.686 -2.409 -12.220 613 H LYS 8 H LYS 8 8.678 1.897 -16.706 614 HA LYS 8 HA LYS 8 10.848 -0.030 -17.251 615 1HB LYS 8 2HB LYS 8 10.040 -0.077 -19.497 616 2HB LYS 8 1HB LYS 8 8.605 -0.018 -18.473 617 1HG LYS 8 2HG LYS 8 8.928 2.605 -18.759 618 2HG LYS 8 1HG LYS 8 9.771 2.108 -20.226 619 1HD LYS 8 2HD LYS 8 7.612 0.559 -20.497 620 2HD LYS 8 1HD LYS 8 6.884 1.828 -19.512 621 1HE LYS 8 2HE LYS 8 8.484 3.104 -21.495 622 2HE LYS 8 1HE LYS 8 7.503 1.887 -22.311 623 1HZ LYS 8 2HZ LYS 8 5.718 2.954 -20.640 624 2HZ LYS 8 1HZ LYS 8 6.690 4.313 -20.950 625 3HZ LYS 8 3HZ LYS 8 5.953 3.488 -22.236 626 H ASP 9 H ASP 9 10.255 3.418 -17.440 627 HA ASP 9 HA ASP 9 12.655 3.884 -19.079 628 1HB ASP 9 2HB ASP 9 10.570 5.652 -17.810 629 2HB ASP 9 1HB ASP 9 12.061 6.341 -18.452 630 OH TYR 10 OH TYR 10 15.884 4.357 -8.742 631 H TYR 10 H TYR 10 11.702 4.039 -15.700 632 HA TYR 10 HA TYR 10 14.177 5.350 -14.859 633 1HB TYR 10 2HB TYR 10 12.260 5.763 -13.486 634 2HB TYR 10 1HB TYR 10 11.881 4.046 -13.379 635 HD1 TYR 10 HD1 TYR 10 13.612 2.509 -12.231 636 HD2 TYR 10 HD2 TYR 10 13.633 6.788 -11.869 637 HE1 TYR 10 HE1 TYR 10 15.008 2.331 -10.190 638 HE2 TYR 10 HE2 TYR 10 15.029 6.605 -9.826 639 HH TYR 10 HH TYR 10 15.716 5.131 -8.200 640 H ALA 11 H ALA 11 12.948 2.070 -15.136 641 HA ALA 11 HA ALA 11 15.251 0.938 -13.701 642 1HB ALA 11 2HB ALA 11 12.716 0.055 -14.016 643 2HB ALA 11 1HB ALA 11 13.493 -0.806 -15.345 644 3HB ALA 11 3HB ALA 11 14.071 -1.026 -13.694 645 H MET 12 H MET 12 14.257 1.533 -17.019 646 HA MET 12 HA MET 12 16.458 -0.128 -18.075 647 1HB MET 12 2HB MET 12 14.350 1.581 -19.422 648 2HB MET 12 1HB MET 12 15.590 0.684 -20.299 649 1HG MET 12 2HG MET 12 14.396 -1.090 -18.402 650 2HG MET 12 1HG MET 12 13.100 -0.286 -19.287 651 1HE MET 12 2HE MET 12 12.121 -1.266 -21.042 652 2HE MET 12 1HE MET 12 12.706 -2.627 -21.997 653 3HE MET 12 3HE MET 12 12.457 -2.807 -20.255 654 NH1 ARG 13 NH1 ARG 13 14.356 6.036 -22.381 655 NH2 ARG 13 NH2 ARG 13 15.921 6.841 -23.798 656 H ARG 13 H ARG 13 15.730 3.256 -17.476 657 HA ARG 13 HA ARG 13 18.090 4.137 -19.010 658 1HB ARG 13 2HB ARG 13 16.125 5.681 -17.292 659 2HB ARG 13 1HB ARG 13 17.419 6.409 -18.244 660 1HG ARG 13 2HG ARG 13 16.017 4.653 -19.977 661 2HG ARG 13 1HG ARG 13 14.803 5.598 -19.113 662 1HD ARG 13 2HD ARG 13 15.299 7.429 -20.324 663 2HD ARG 13 1HD ARG 13 17.000 7.306 -19.879 664 HE ARG 13 HE ARG 13 17.374 5.959 -21.872 665 1HH1 ARG 13 2HH1 ARG 13 14.101 5.694 -21.476 666 2HH1 ARG 13 1HH1 ARG 13 13.668 6.098 -23.103 667 1HH2 ARG 13 1HH2 ARG 13 16.865 7.119 -23.979 668 2HH2 ARG 13 2HH2 ARG 13 15.233 6.905 -24.521 669 H PHE 14 H PHE 14 17.054 3.863 -15.632 670 HA PHE 14 HA PHE 14 19.721 4.791 -14.736 671 1HB PHE 14 2HB PHE 14 17.318 3.947 -13.091 672 2HB PHE 14 1HB PHE 14 18.759 4.770 -12.494 673 HD1 PHE 14 HD2 PHE 14 19.368 6.911 -14.166 674 HD2 PHE 14 HD1 PHE 14 15.469 5.342 -13.287 675 HE1 PHE 14 HE2 PHE 14 18.358 9.102 -14.739 676 HE2 PHE 14 HE1 PHE 14 14.456 7.532 -13.859 677 HZ PHE 14 HZ PHE 14 15.902 9.413 -14.586 678 H GLY 15 H GLY 15 17.621 1.931 -14.432 679 1HA GLY 15 2HA GLY 15 19.338 -0.108 -14.871 680 2HA GLY 15 1HA GLY 15 19.840 0.387 -13.255 681 H GLN 16 H GLN 16 18.207 -1.980 -14.554 682 HA GLN 16 HA GLN 16 15.643 -1.881 -13.208 683 1HB GLN 16 2HB GLN 16 17.173 -4.289 -14.241 684 2HB GLN 16 1HB GLN 16 15.454 -4.234 -13.853 685 1HG GLN 16 2HG GLN 16 14.978 -3.421 -15.895 686 2HG GLN 16 1HG GLN 16 16.092 -2.077 -15.650 687 1HE2 GLN 16 2HE2 GLN 16 17.143 -5.024 -18.156 688 2HE2 GLN 16 1HE2 GLN 16 15.569 -4.841 -17.544 689 H THR 17 H THR 17 18.867 -2.924 -12.325 690 HA THR 17 HA THR 17 18.052 -4.506 -10.037 691 HB THR 17 HB THR 17 20.721 -3.138 -10.465 692 HG1 THR 17 HG1 THR 17 20.776 -4.360 -12.167 693 1HG2 THR 17 3HG2 THR 17 19.832 -5.588 -8.921 694 2HG2 THR 17 2HG2 THR 17 21.518 -5.138 -9.178 695 3HG2 THR 17 1HG2 THR 17 20.455 -4.081 -8.249 696 H LYS 18 H LYS 18 18.953 -1.107 -10.521 697 HA LYS 18 HA LYS 18 18.914 -0.525 -7.666 698 1HB LYS 18 2HB LYS 18 18.922 1.888 -8.507 699 2HB LYS 18 1HB LYS 18 20.297 0.896 -8.991 700 1HG LYS 18 2HG LYS 18 19.465 0.608 -11.188 701 2HG LYS 18 1HG LYS 18 17.845 1.139 -10.732 702 1HD LYS 18 2HD LYS 18 18.864 2.971 -11.904 703 2HD LYS 18 1HD LYS 18 18.859 3.404 -10.194 704 1HE LYS 18 2HE LYS 18 21.242 2.065 -10.410 705 2HE LYS 18 1HE LYS 18 21.135 2.852 -11.986 706 1HZ LYS 18 1HZ LYS 18 20.377 4.551 -9.796 707 2HZ LYS 18 3HZ LYS 18 21.987 4.028 -9.705 708 3HZ LYS 18 2HZ LYS 18 21.440 4.852 -11.087 709 H THR 19 H THR 19 16.571 -0.506 -10.276 710 HA THR 19 HA THR 19 14.607 1.122 -8.890 711 HB THR 19 HB THR 19 14.046 -0.967 -11.014 712 HG1 THR 19 HG1 THR 19 15.707 0.955 -11.276 713 1HG2 THR 19 3HG2 THR 19 12.653 1.522 -10.021 714 2HG2 THR 19 2HG2 THR 19 12.274 0.802 -11.586 715 3HG2 THR 19 1HG2 THR 19 12.020 -0.122 -10.105 716 H ALA 20 H ALA 20 15.297 -2.345 -9.100 717 HA ALA 20 HA ALA 20 12.947 -3.091 -7.540 718 1HB ALA 20 3HB ALA 20 14.596 -4.472 -9.211 719 2HB ALA 20 2HB ALA 20 15.252 -4.950 -7.645 720 3HB ALA 20 1HB ALA 20 13.553 -5.243 -8.015 721 H LYS 21 H LYS 21 16.373 -2.479 -6.901 722 HA LYS 21 HA LYS 21 16.291 -3.377 -4.151 723 1HB LYS 21 2HB LYS 21 18.275 -2.535 -5.936 724 2HB LYS 21 1HB LYS 21 18.264 -1.301 -4.676 725 1HG LYS 21 2HG LYS 21 19.236 -2.703 -3.206 726 2HG LYS 21 1HG LYS 21 18.018 -3.943 -3.512 727 1HD LYS 21 2HD LYS 21 20.034 -4.963 -4.196 728 2HD LYS 21 1HD LYS 21 19.321 -4.393 -5.705 729 1HE LYS 21 2HE LYS 21 21.484 -3.577 -5.926 730 2HE LYS 21 1HE LYS 21 20.696 -2.200 -5.158 731 1HZ LYS 21 3HZ LYS 21 21.391 -3.590 -3.018 732 2HZ LYS 21 2HZ LYS 21 22.635 -4.076 -4.070 733 3HZ LYS 21 1HZ LYS 21 22.404 -2.428 -3.727 734 H ASP 22 H ASP 22 15.565 -0.372 -5.800 735 HA ASP 22 HA ASP 22 15.418 1.167 -3.307 736 1HB ASP 22 2HB ASP 22 14.495 1.874 -6.112 737 2HB ASP 22 1HB ASP 22 14.634 2.995 -4.758 738 H LEU 23 H LEU 23 13.270 -0.643 -5.391 739 HA LEU 23 HA LEU 23 10.863 0.407 -4.041 740 1HB LEU 23 2HB LEU 23 11.349 -1.535 -6.297 741 2HB LEU 23 1HB LEU 23 9.759 -1.392 -5.544 742 HG LEU 23 HG LEU 23 11.144 1.125 -6.366 743 1HD1 LEU 23 1HD1 LEU 23 11.151 -0.795 -8.222 744 2HD1 LEU 23 3HD1 LEU 23 9.473 -0.285 -8.405 745 3HD1 LEU 23 2HD1 LEU 23 10.779 0.878 -8.634 746 1HD2 LEU 23 3HD2 LEU 23 8.379 0.087 -5.923 747 2HD2 LEU 23 2HD2 LEU 23 9.090 1.625 -5.435 748 3HD2 LEU 23 1HD2 LEU 23 8.579 1.380 -7.104 749 H GLY 24 H GLY 24 13.165 -2.021 -3.522 750 1HA GLY 24 2HA GLY 24 13.245 -3.611 -1.776 751 2HA GLY 24 1HA GLY 24 11.617 -3.116 -1.306 752 H VAL 25 H VAL 25 12.012 -3.886 -4.627 753 HA VAL 25 HA VAL 25 10.496 -6.411 -4.173 754 HB VAL 25 HB VAL 25 10.822 -5.420 -6.942 755 1HG1 VAL 25 3HG1 VAL 25 9.273 -7.264 -5.836 756 2HG1 VAL 25 2HG1 VAL 25 8.223 -5.881 -5.527 757 3HG1 VAL 25 1HG1 VAL 25 8.685 -6.287 -7.180 758 1HG2 VAL 25 1HG2 VAL 25 9.670 -3.733 -4.751 759 2HG2 VAL 25 3HG2 VAL 25 10.514 -3.237 -6.218 760 3HG2 VAL 25 2HG2 VAL 25 8.833 -3.762 -6.303 761 OH TYR 26 OH TYR 26 8.662 -11.035 -2.559 762 H TYR 26 H TYR 26 11.012 -8.022 -6.160 763 HA TYR 26 HA TYR 26 13.893 -8.603 -5.895 764 1HB TYR 26 2HB TYR 26 12.096 -10.289 -7.585 765 2HB TYR 26 1HB TYR 26 13.375 -10.779 -6.476 766 HD1 TYR 26 HD1 TYR 26 12.871 -9.934 -3.922 767 HD2 TYR 26 HD2 TYR 26 9.937 -10.823 -6.929 768 HE1 TYR 26 HE1 TYR 26 11.180 -10.338 -2.152 769 HE2 TYR 26 HE2 TYR 26 8.246 -11.227 -5.161 770 HH TYR 26 HH TYR 26 7.992 -11.621 -2.918 771 H GLN 27 H GLN 27 15.176 -9.144 -7.852 772 HA GLN 27 HA GLN 27 15.015 -7.089 -9.839 773 1HB GLN 27 2HB GLN 27 16.478 -9.739 -10.004 774 2HB GLN 27 1HB GLN 27 16.812 -8.302 -10.970 775 1HG GLN 27 2HG GLN 27 17.592 -7.084 -9.089 776 2HG GLN 27 1HG GLN 27 16.904 -8.244 -7.952 777 1HE2 GLN 27 2HE2 GLN 27 20.199 -9.568 -7.796 778 2HE2 GLN 27 1HE2 GLN 27 19.013 -8.677 -6.973 779 H SER 28 H SER 28 14.082 -10.516 -9.889 780 HA SER 28 HA SER 28 13.217 -10.495 -12.642 781 1HB SER 28 2HB SER 28 13.439 -12.411 -10.571 782 2HB SER 28 1HB SER 28 11.743 -12.399 -11.048 783 HG SER 28 HG SER 28 12.307 -13.339 -12.833 784 H ALA 29 H ALA 29 11.958 -9.016 -9.890 785 HA ALA 29 HA ALA 29 9.136 -9.218 -10.730 786 1HB ALA 29 1HB ALA 29 10.480 -8.659 -8.289 787 2HB ALA 29 3HB ALA 29 9.597 -7.196 -8.728 788 3HB ALA 29 2HB ALA 29 8.739 -8.729 -8.564 789 H ILE 30 H ILE 30 11.830 -6.972 -10.814 790 HA ILE 30 HA ILE 30 10.248 -4.730 -11.784 791 HB ILE 30 HB ILE 30 13.213 -5.308 -11.630 792 1HG1 ILE 30 2HG1 ILE 30 12.067 -4.732 -9.531 793 2HG1 ILE 30 1HG1 ILE 30 13.134 -3.415 -10.026 794 1HG2 ILE 30 3HG2 ILE 30 11.751 -3.046 -12.974 795 2HG2 ILE 30 2HG2 ILE 30 13.345 -2.787 -12.264 796 3HG2 ILE 30 1HG2 ILE 30 13.137 -3.969 -13.557 797 1HD1 ILE 30 2HD1 ILE 30 11.005 -2.494 -11.241 798 2HD1 ILE 30 1HD1 ILE 30 10.131 -3.556 -10.137 799 3HD1 ILE 30 3HD1 ILE 30 11.159 -2.273 -9.497 800 H ASN 31 H ASN 31 12.236 -7.278 -13.217 801 HA ASN 31 HA ASN 31 12.015 -6.255 -15.924 802 1HB ASN 31 2HB ASN 31 13.821 -7.828 -15.102 803 2HB ASN 31 1HB ASN 31 12.603 -9.103 -15.071 804 1HD2 ASN 31 2HD2 ASN 31 13.256 -7.511 -18.804 805 2HD2 ASN 31 1HD2 ASN 31 13.033 -6.470 -17.483 806 H LYS 32 H LYS 32 10.273 -8.723 -14.023 807 HA LYS 32 HA LYS 32 8.586 -9.541 -16.208 808 1HB LYS 32 2HB LYS 32 7.392 -10.816 -14.631 809 2HB LYS 32 1HB LYS 32 9.018 -10.750 -13.951 810 1HG LYS 32 2HG LYS 32 8.334 -8.847 -12.527 811 2HG LYS 32 1HG LYS 32 6.701 -8.952 -13.187 812 1HD LYS 32 2HD LYS 32 7.182 -11.553 -12.414 813 2HD LYS 32 1HD LYS 32 8.008 -10.636 -11.157 814 1HE LYS 32 2HE LYS 32 5.202 -9.937 -12.019 815 2HE LYS 32 1HE LYS 32 5.507 -11.164 -10.789 816 1HZ LYS 32 1HZ LYS 32 6.492 -8.364 -10.692 817 2HZ LYS 32 3HZ LYS 32 5.161 -8.962 -9.825 818 3HZ LYS 32 2HZ LYS 32 6.722 -9.549 -9.496 819 H ALA 33 H ALA 33 8.523 -6.885 -13.951 820 HA ALA 33 HA ALA 33 5.749 -6.178 -14.301 821 1HB ALA 33 1HB ALA 33 8.191 -4.596 -13.462 822 2HB ALA 33 3HB ALA 33 6.582 -3.879 -13.551 823 3HB ALA 33 2HB ALA 33 6.894 -5.206 -12.433 824 H ILE 34 H ILE 34 8.764 -5.113 -15.848 825 HA ILE 34 HA ILE 34 7.529 -3.300 -17.701 826 HB ILE 34 HB ILE 34 10.137 -4.848 -17.838 827 1HG1 ILE 34 2HG1 ILE 34 9.998 -1.894 -17.493 828 2HG1 ILE 34 1HG1 ILE 34 9.475 -2.869 -16.119 829 1HG2 ILE 34 3HG2 ILE 34 9.065 -4.019 -20.065 830 2HG2 ILE 34 2HG2 ILE 34 9.469 -2.406 -19.475 831 3HG2 ILE 34 1HG2 ILE 34 10.745 -3.596 -19.736 832 1HD1 ILE 34 3HD1 ILE 34 11.734 -4.201 -16.788 833 2HD1 ILE 34 2HD1 ILE 34 12.179 -2.576 -17.310 834 3HD1 ILE 34 1HD1 ILE 34 11.712 -2.867 -15.634 835 H HIS 35 H HIS 35 8.227 -6.752 -17.768 836 HA HIS 35 HA HIS 35 7.539 -7.174 -20.532 837 1HB HIS 35 2HB HIS 35 7.912 -8.900 -18.109 838 2HB HIS 35 1HB HIS 35 7.119 -9.594 -19.523 839 HD1 HIS 35 HD1 HIS 35 9.302 -11.108 -19.809 840 HD2 HIS 35 HD2 HIS 35 9.901 -7.017 -20.335 841 HE1 HIS 35 HE1 HIS 35 11.549 -10.855 -20.953 842 H ALA 36 H ALA 36 5.680 -6.644 -17.674 843 HA ALA 36 HA ALA 36 3.255 -7.949 -18.664 844 1HB ALA 36 3HB ALA 36 4.110 -7.153 -16.178 845 2HB ALA 36 2HB ALA 36 2.962 -5.878 -16.586 846 3HB ALA 36 1HB ALA 36 2.441 -7.563 -16.576 847 H GLY 37 H GLY 37 4.817 -4.946 -19.182 848 1HA GLY 37 2HA GLY 37 4.135 -2.990 -20.287 849 2HA GLY 37 1HA GLY 37 3.013 -4.044 -21.147 850 NH1 ARG 38 NH2 ARG 38 -3.125 -6.551 -15.182 851 NH2 ARG 38 NH1 ARG 38 -3.313 -7.488 -17.230 852 H ARG 38 H ARG 38 2.744 -3.915 -17.699 853 HA ARG 38 HA ARG 38 0.029 -2.890 -17.894 854 1HB ARG 38 2HB ARG 38 1.538 -4.325 -15.991 855 2HB ARG 38 1HB ARG 38 1.103 -2.805 -15.208 856 1HG ARG 38 2HG ARG 38 -0.840 -3.930 -14.758 857 2HG ARG 38 1HG ARG 38 -1.257 -3.402 -16.389 858 1HD ARG 38 2HD ARG 38 0.138 -5.669 -16.950 859 2HD ARG 38 1HD ARG 38 -0.577 -6.107 -15.399 860 HE ARG 38 HE ARG 38 -2.211 -5.184 -17.732 861 1HH1 ARG 38 1HH2 ARG 38 -2.736 -5.853 -14.581 862 2HH1 ARG 38 2HH2 ARG 38 -3.761 -7.230 -14.813 863 1HH2 ARG 38 2HH1 ARG 38 -3.068 -7.506 -18.200 864 2HH2 ARG 38 1HH1 ARG 38 -3.948 -8.167 -16.862 865 H LYS 39 H LYS 39 -0.597 -1.020 -16.323 866 HA LYS 39 HA LYS 39 1.118 1.287 -17.020 867 1HB LYS 39 2HB LYS 39 -1.707 0.858 -16.379 868 2HB LYS 39 1HB LYS 39 -1.026 2.246 -15.532 869 1HG LYS 39 2HG LYS 39 -1.827 3.066 -17.639 870 2HG LYS 39 1HG LYS 39 -0.070 2.992 -17.768 871 1HD LYS 39 2HD LYS 39 -0.798 0.469 -18.579 872 2HD LYS 39 1HD LYS 39 -2.120 1.449 -19.212 873 1HE LYS 39 2HE LYS 39 0.481 2.712 -19.624 874 2HE LYS 39 1HE LYS 39 0.378 1.129 -20.395 875 1HZ LYS 39 2HZ LYS 39 -1.798 3.106 -20.670 876 2HZ LYS 39 1HZ LYS 39 -0.441 3.151 -21.692 877 3HZ LYS 39 3HZ LYS 39 -1.435 1.776 -21.665 878 H ILE 40 H ILE 40 2.811 0.473 -15.542 879 HA ILE 40 HA ILE 40 2.208 1.103 -12.684 880 HB ILE 40 HB ILE 40 4.307 -0.642 -13.989 881 1HG1 ILE 40 2HG1 ILE 40 2.126 -1.055 -11.924 882 2HG1 ILE 40 1HG1 ILE 40 2.223 -1.765 -13.537 883 1HG2 ILE 40 2HG2 ILE 40 4.193 0.313 -11.109 884 2HG2 ILE 40 1HG2 ILE 40 5.277 -0.935 -11.725 885 3HG2 ILE 40 3HG2 ILE 40 5.437 0.728 -12.288 886 1HD1 ILE 40 3HD1 ILE 40 4.646 -2.380 -12.139 887 2HD1 ILE 40 2HD1 ILE 40 3.284 -2.800 -11.100 888 3HD1 ILE 40 1HD1 ILE 40 3.406 -3.493 -12.718 889 H PHE 41 H PHE 41 2.527 3.304 -12.657 890 HA PHE 41 HA PHE 41 4.894 4.473 -13.951 891 1HB PHE 41 2HB PHE 41 2.954 5.910 -12.140 892 2HB PHE 41 1HB PHE 41 3.903 6.566 -13.477 893 HD1 PHE 41 HD1 PHE 41 3.355 4.050 -15.294 894 HD2 PHE 41 HD2 PHE 41 0.817 6.714 -13.076 895 HE1 PHE 41 HE1 PHE 41 1.491 3.578 -16.856 896 HE2 PHE 41 HE2 PHE 41 -1.046 6.240 -14.639 897 HZ PHE 41 HZ PHE 41 -0.709 4.672 -16.530 898 H LEU 42 H LEU 42 6.396 5.841 -12.663 899 HA LEU 42 HA LEU 42 6.750 4.736 -9.904 900 1HB LEU 42 2HB LEU 42 8.521 4.753 -12.174 901 2HB LEU 42 1HB LEU 42 9.228 5.706 -10.871 902 HG LEU 42 HG LEU 42 9.015 3.851 -9.324 903 1HD1 LEU 42 3HD1 LEU 42 7.574 2.504 -11.621 904 2HD1 LEU 42 2HD1 LEU 42 8.130 1.653 -10.179 905 3HD1 LEU 42 1HD1 LEU 42 6.907 2.914 -10.043 906 1HD2 LEU 42 2HD2 LEU 42 10.366 3.538 -11.932 907 2HD2 LEU 42 1HD2 LEU 42 11.019 3.376 -10.302 908 3HD2 LEU 42 3HD2 LEU 42 10.143 2.034 -11.039 909 H THR 43 H THR 43 6.181 6.340 -8.513 910 HA THR 43 HA THR 43 6.875 9.152 -9.206 911 HB THR 43 HB THR 43 5.060 7.931 -7.112 912 HG1 THR 43 HG1 THR 43 3.710 8.294 -8.657 913 1HG2 THR 43 2HG2 THR 43 6.354 10.594 -7.233 914 2HG2 THR 43 1HG2 THR 43 4.621 10.599 -6.905 915 3HG2 THR 43 3HG2 THR 43 5.717 9.713 -5.844 916 H ILE 44 H ILE 44 9.004 9.483 -8.632 917 HA ILE 44 HA ILE 44 10.094 8.228 -6.211 918 HB ILE 44 HB ILE 44 11.520 10.324 -7.835 919 1HG1 ILE 44 2HG1 ILE 44 11.328 7.381 -8.547 920 2HG1 ILE 44 1HG1 ILE 44 10.456 8.657 -9.398 921 1HG2 ILE 44 1HG2 ILE 44 12.312 9.042 -5.647 922 2HG2 ILE 44 3HG2 ILE 44 12.693 7.769 -6.807 923 3HG2 ILE 44 2HG2 ILE 44 13.438 9.360 -6.966 924 1HD1 ILE 44 1HD1 ILE 44 13.271 9.322 -9.110 925 2HD1 ILE 44 3HD1 ILE 44 13.061 7.781 -9.940 926 3HD1 ILE 44 2HD1 ILE 44 12.290 9.237 -10.572 927 H ASN 45 H ASN 45 10.098 9.182 -4.238 928 HA ASN 45 HA ASN 45 9.095 11.932 -3.981 929 1HB ASN 45 2HB ASN 45 9.975 9.950 -1.860 930 2HB ASN 45 1HB ASN 45 9.146 11.476 -1.559 931 1HD2 ASN 45 2HD2 ASN 45 7.012 8.234 -2.749 932 2HD2 ASN 45 1HD2 ASN 45 8.694 8.152 -2.546 933 H ALA 46 H ALA 46 10.278 13.646 -3.078 934 HA ALA 46 HA ALA 46 12.847 14.170 -3.850 935 1HB ALA 46 2HB ALA 46 11.111 15.582 -2.431 936 2HB ALA 46 1HB ALA 46 12.121 15.053 -1.086 937 3HB ALA 46 3HB ALA 46 12.830 15.979 -2.409 938 H ASP 47 H ASP 47 11.967 12.020 -1.231 939 HA ASP 47 HA ASP 47 14.692 11.966 -0.143 940 1HB ASP 47 2HB ASP 47 12.088 10.638 0.496 941 2HB ASP 47 1HB ASP 47 13.574 9.860 1.044 942 H GLY 48 H GLY 48 14.343 11.261 -2.989 943 1HA GLY 48 2HA GLY 48 14.966 9.577 -4.503 944 2HA GLY 48 1HA GLY 48 16.111 9.114 -3.241 945 H SER 49 H SER 49 12.665 9.094 -2.659 946 HA SER 49 HA SER 49 12.827 6.171 -2.181 947 1HB SER 49 2HB SER 49 10.799 8.304 -1.529 948 2HB SER 49 1HB SER 49 10.389 6.596 -1.405 949 HG SER 49 HG SER 49 12.493 6.537 -0.156 950 H VAL 50 H VAL 50 11.353 4.687 -3.206 951 HA VAL 50 HA VAL 50 10.348 5.721 -5.824 952 HB VAL 50 HB VAL 50 10.700 2.792 -5.323 953 1HG1 VAL 50 1HG1 VAL 50 9.934 4.298 -7.469 954 2HG1 VAL 50 3HG1 VAL 50 11.664 4.143 -7.772 955 3HG1 VAL 50 2HG1 VAL 50 10.666 2.700 -7.603 956 1HG2 VAL 50 2HG2 VAL 50 12.902 4.832 -5.633 957 2HG2 VAL 50 1HG2 VAL 50 12.806 3.483 -4.502 958 3HG2 VAL 50 3HG2 VAL 50 13.108 3.179 -6.212 959 OH TYR 51 OH TYR 51 1.595 4.341 -0.994 960 H TYR 51 H TYR 51 8.194 5.979 -5.843 961 HA TYR 51 HA TYR 51 6.528 4.053 -4.273 962 1HB TYR 51 2HB TYR 51 6.627 6.629 -3.654 963 2HB TYR 51 1HB TYR 51 5.524 6.780 -5.022 964 HD1 TYR 51 HD2 TYR 51 3.495 5.124 -5.061 965 HD2 TYR 51 HD1 TYR 51 5.780 6.056 -1.545 966 HE1 TYR 51 HE2 TYR 51 1.617 4.353 -3.636 967 HE2 TYR 51 HE1 TYR 51 3.902 5.286 -0.121 968 HH TYR 51 HH TYR 51 0.791 4.374 -1.518 969 H ALA 52 H ALA 52 6.393 2.672 -6.140 970 HA ALA 52 HA ALA 52 5.391 3.731 -8.667 971 1HB ALA 52 1HB ALA 52 6.906 1.684 -8.360 972 2HB ALA 52 3HB ALA 52 5.459 0.824 -7.833 973 3HB ALA 52 2HB ALA 52 5.543 1.488 -9.464 974 H GLU 53 H GLU 53 3.295 3.612 -9.437 975 HA GLU 53 HA GLU 53 1.237 2.309 -7.720 976 1HB GLU 53 2HB GLU 53 1.463 5.211 -8.419 977 2HB GLU 53 1HB GLU 53 -0.148 4.491 -8.388 978 1HG GLU 53 2HG GLU 53 0.072 3.848 -6.103 979 2HG GLU 53 1HG GLU 53 1.809 4.151 -6.110 980 H GLU 54 H GLU 54 -0.672 1.746 -8.911 981 HA GLU 54 HA GLU 54 -0.196 1.598 -11.846 982 1HB GLU 54 2HB GLU 54 -0.651 -0.508 -10.504 983 2HB GLU 54 1HB GLU 54 -2.279 0.111 -10.225 984 1HG GLU 54 2HG GLU 54 -2.059 0.431 -12.930 985 2HG GLU 54 1HG GLU 54 -1.092 -1.023 -12.681 986 H VAL 55 H VAL 55 -1.408 2.853 -13.178 987 HA VAL 55 HA VAL 55 -4.066 3.784 -12.247 988 HB VAL 55 HB VAL 55 -2.877 5.984 -13.605 989 1HG1 VAL 55 3HG1 VAL 55 -4.676 5.814 -11.766 990 2HG1 VAL 55 2HG1 VAL 55 -3.330 5.763 -10.628 991 3HG1 VAL 55 1HG1 VAL 55 -3.553 7.170 -11.667 992 1HG2 VAL 55 1HG2 VAL 55 -0.730 4.766 -12.764 993 2HG2 VAL 55 3HG2 VAL 55 -0.906 6.486 -12.416 994 3HG2 VAL 55 2HG2 VAL 55 -1.247 5.293 -11.163 995 H LYS 56 H LYS 56 -5.324 2.917 -13.825 996 HA LYS 56 HA LYS 56 -4.797 3.723 -16.612 997 1HB LYS 56 2HB LYS 56 -3.560 1.716 -16.670 998 2HB LYS 56 1HB LYS 56 -4.692 0.884 -15.607 999 1HG LYS 56 2HG LYS 56 -5.748 0.070 -17.423 1000 2HG LYS 56 1HG LYS 56 -6.171 1.712 -17.895 1001 1HD LYS 56 2HD LYS 56 -3.982 1.937 -19.037 1002 2HD LYS 56 1HD LYS 56 -3.606 0.267 -18.608 1003 1HE LYS 56 2HE LYS 56 -4.609 -0.319 -20.547 1004 2HE LYS 56 1HE LYS 56 -6.133 0.093 -19.762 1005 1HZ LYS 56 1HZ LYS 56 -5.769 2.411 -20.520 1006 2HZ LYS 56 3HZ LYS 56 -4.435 1.874 -21.418 1007 3HZ LYS 56 2HZ LYS 56 -5.991 1.302 -21.788 1008 HA PRO 57 HA PRO 57 -9.212 3.818 -16.449 1009 1HB PRO 57 2HB PRO 57 -9.625 4.297 -19.124 1010 2HB PRO 57 1HB PRO 57 -9.087 5.538 -17.980 1011 1HG PRO 57 2HG PRO 57 -7.515 4.105 -20.069 1012 2HG PRO 57 1HG PRO 57 -7.246 5.707 -19.362 1013 1HD PRO 57 2HD PRO 57 -5.838 3.344 -18.698 1014 2HD PRO 57 1HD PRO 57 -5.813 4.866 -17.784 1015 H PHE 58 H PHE 58 -10.985 2.445 -17.003 1016 HA PHE 58 HA PHE 58 -10.205 -0.041 -18.470 1017 1HB PHE 58 2HB PHE 58 -11.395 -1.320 -16.939 1018 2HB PHE 58 1HB PHE 58 -10.869 -0.006 -15.896 1019 HD1 PHE 58 HD1 PHE 58 -13.710 -1.126 -18.050 1020 HD2 PHE 58 HD2 PHE 58 -12.446 1.347 -14.772 1021 HE1 PHE 58 HE1 PHE 58 -16.076 -0.578 -17.550 1022 HE2 PHE 58 HE2 PHE 58 -14.814 1.896 -14.274 1023 HZ PHE 58 HZ PHE 58 -16.627 0.933 -15.665 1024 HA PRO 59 HA PRO 59 -11.627 -1.866 -18.671 1025 1HB PRO 59 2HB PRO 59 -12.181 -3.195 -21.009 1026 2HB PRO 59 1HB PRO 59 -13.352 -3.002 -19.693 1027 1HG PRO 59 2HG PRO 59 -13.242 -1.610 -22.328 1028 2HG PRO 59 1HG PRO 59 -14.639 -1.933 -21.287 1029 1HD PRO 59 2HD PRO 59 -13.282 0.542 -21.522 1030 2HD PRO 59 1HD PRO 59 -14.460 0.109 -20.264 1031 H SER 60 H SER 60 -9.573 -2.724 -19.136 1032 HA SER 60 HA SER 60 -7.964 -1.208 -21.095 1033 1HB SER 60 2HB SER 60 -6.715 -3.428 -19.586 1034 2HB SER 60 1HB SER 60 -6.156 -1.775 -19.822 1035 HG SER 60 HG SER 60 -7.772 -2.867 -17.852 1036 H ASN 61 H ASN 61 -8.177 -4.692 -20.278 1037 HA ASN 61 HA ASN 61 -8.443 -5.311 -23.163 1038 1HB ASN 61 2HB ASN 61 -6.581 -6.968 -23.009 1039 2HB ASN 61 1HB ASN 61 -6.030 -5.305 -22.806 1040 1HD2 ASN 61 2HD2 ASN 61 -5.043 -5.755 -19.425 1041 2HD2 ASN 61 1HD2 ASN 61 -5.323 -4.631 -20.665 1042 H LYS 62 H LYS 62 -10.600 -5.793 -21.978 1043 HA LYS 62 HA LYS 62 -10.568 -8.297 -20.414 1044 1HB LYS 62 2HB LYS 62 -12.258 -6.052 -20.517 1045 2HB LYS 62 1HB LYS 62 -13.206 -7.378 -21.191 1046 1HG LYS 62 2HG LYS 62 -11.816 -7.306 -18.500 1047 2HG LYS 62 1HG LYS 62 -13.552 -7.390 -18.803 1048 1HD LYS 62 2HD LYS 62 -12.413 -9.541 -20.233 1049 2HD LYS 62 1HD LYS 62 -11.639 -9.546 -18.648 1050 1HE LYS 62 2HE LYS 62 -13.602 -9.993 -17.536 1051 2HE LYS 62 1HE LYS 62 -14.587 -9.121 -18.710 1052 1HZ LYS 62 1HZ LYS 62 -13.376 -11.296 -19.995 1053 2HZ LYS 62 3HZ LYS 62 -14.100 -11.868 -18.571 1054 3HZ LYS 62 2HZ LYS 62 -15.030 -11.023 -19.715 1055 H LYS 63 H LYS 63 -10.555 -10.208 -21.499 1056 HA LYS 63 HA LYS 63 -12.480 -10.917 -23.464 1057 1HB LYS 63 2HB LYS 63 -10.335 -9.367 -24.514 1058 2HB LYS 63 1HB LYS 63 -10.113 -11.023 -25.077 1059 1HG LYS 63 2HG LYS 63 -12.842 -9.773 -25.198 1060 2HG LYS 63 1HG LYS 63 -11.654 -9.392 -26.445 1061 1HD LYS 63 2HD LYS 63 -11.664 -12.235 -25.939 1062 2HD LYS 63 1HD LYS 63 -13.300 -11.684 -26.303 1063 1HE LYS 63 2HE LYS 63 -10.987 -10.763 -27.990 1064 2HE LYS 63 1HE LYS 63 -11.722 -12.339 -28.283 1065 1HZ LYS 63 1HZ LYS 63 -13.870 -11.250 -28.508 1066 2HZ LYS 63 3HZ LYS 63 -13.153 -9.737 -28.242 1067 3HZ LYS 63 2HZ LYS 63 -12.756 -10.629 -29.631 1068 H THR 64 H THR 64 -12.144 -12.549 -21.634 1069 HA THR 64 HA THR 64 -9.876 -14.396 -22.235 1070 HB THR 64 HB THR 64 -10.867 -15.418 -19.970 1071 HG1 THR 64 HG1 THR 64 -12.535 -14.028 -19.678 1072 1HG2 THR 64 2HG2 THR 64 -8.796 -13.520 -20.667 1073 2HG2 THR 64 1HG2 THR 64 -9.404 -13.203 -19.042 1074 3HG2 THR 64 3HG2 THR 64 -8.769 -14.797 -19.450 1075 H THR 65 H THR 65 -11.163 -15.116 -24.164 1076 HA THR 65 HA THR 65 -13.324 -17.023 -23.356 1077 HB THR 65 HB THR 65 -13.412 -16.513 -26.164 1078 HG1 THR 65 HG1 THR 65 -12.345 -14.582 -25.743 1079 1HG2 THR 65 2HG2 THR 65 -15.115 -16.331 -23.773 1080 2HG2 THR 65 1HG2 THR 65 -15.553 -15.195 -25.049 1081 3HG2 THR 65 3HG2 THR 65 -15.501 -16.925 -25.388 1082 H ALA 66 HN ALA 66 -12.323 -18.997 -23.261 1083 HA ALA 66 HA ALA 66 -10.122 -19.669 -25.070 1084 1HB ALA 66 1HB ALA 66 -10.261 -20.499 -22.701 1085 2HB ALA 66 3HB ALA 66 -11.644 -21.486 -23.179 1086 3HB ALA 66 2HB ALA 66 -10.058 -21.787 -23.889 Start of MODEL 17 Raw file had 1086 H/Q atoms Start of MODEL 17 1 1H MET 1 2H MET 1 -21.946 18.977 -8.047 2 2H MET 1 1H MET 1 -23.079 19.767 -9.035 3 3H MET 1 3H MET 1 -23.180 18.089 -8.806 4 HA MET 1 HA MET 1 -22.179 18.110 -10.834 5 1HB MET 1 2HB MET 1 -22.120 20.541 -11.052 6 2HB MET 1 1HB MET 1 -20.785 20.639 -9.905 7 1HG MET 1 2HG MET 1 -19.254 19.691 -11.406 8 2HG MET 1 1HG MET 1 -20.522 18.941 -12.375 9 1HE MET 1 1HE MET 1 -17.974 20.558 -12.749 10 2HE MET 1 3HE MET 1 -18.500 20.694 -14.433 11 3HE MET 1 2HE MET 1 -18.111 22.142 -13.508 12 H GLU 2 H GLU 2 -21.431 16.273 -9.260 13 HA GLU 2 HA GLU 2 -18.676 15.783 -9.680 14 1HB GLU 2 2HB GLU 2 -17.851 15.983 -7.312 15 2HB GLU 2 1HB GLU 2 -18.206 17.535 -8.073 16 1HG GLU 2 2HG GLU 2 -19.989 17.950 -6.706 17 2HG GLU 2 1HG GLU 2 -20.472 16.255 -6.652 18 H GLN 3 H GLN 3 -20.803 14.162 -10.045 19 HA GLN 3 HA GLN 3 -21.314 12.463 -7.729 20 1HB GLN 3 2HB GLN 3 -22.079 12.468 -10.619 21 2HB GLN 3 1HB GLN 3 -22.164 10.935 -9.750 22 1HG GLN 3 2HG GLN 3 -23.361 13.415 -8.540 23 2HG GLN 3 1HG GLN 3 -24.259 12.501 -9.752 24 1HE2 GLN 3 2HE2 GLN 3 -25.207 11.002 -6.507 25 2HE2 GLN 3 1HE2 GLN 3 -25.464 12.471 -7.318 26 NH1 ARG 4 NH2 ARG 4 -13.824 13.510 -9.058 27 NH2 ARG 4 NH1 ARG 4 -15.023 15.391 -8.699 28 H ARG 4 H ARG 4 -19.328 11.615 -7.017 29 HA ARG 4 HA ARG 4 -17.770 10.053 -9.028 30 1HB ARG 4 2HB ARG 4 -16.874 10.850 -6.246 31 2HB ARG 4 1HB ARG 4 -15.870 10.282 -7.581 32 1HG ARG 4 2HG ARG 4 -17.418 12.889 -7.487 33 2HG ARG 4 1HG ARG 4 -15.667 12.712 -7.384 34 1HD ARG 4 2HD ARG 4 -15.803 11.540 -9.659 35 2HD ARG 4 1HD ARG 4 -17.456 12.148 -9.754 36 HE ARG 4 HE ARG 4 -16.394 14.108 -10.527 37 1HH1 ARG 4 1HH2 ARG 4 -13.758 12.582 -9.426 38 2HH1 ARG 4 2HH2 ARG 4 -13.038 13.923 -8.598 39 1HH2 ARG 4 2HH1 ARG 4 -15.876 15.906 -8.789 40 2HH2 ARG 4 1HH1 ARG 4 -14.237 15.805 -8.239 41 H ILE 5 H ILE 5 -18.679 8.022 -9.024 42 HA ILE 5 HA ILE 5 -18.849 6.636 -6.379 43 HB ILE 5 HB ILE 5 -20.593 5.924 -8.736 44 1HG1 ILE 5 2HG1 ILE 5 -22.223 7.315 -6.986 45 2HG1 ILE 5 1HG1 ILE 5 -20.751 8.288 -6.997 46 1HG2 ILE 5 2HG2 ILE 5 -20.149 4.886 -6.130 47 2HG2 ILE 5 1HG2 ILE 5 -21.754 5.619 -6.122 48 3HG2 ILE 5 3HG2 ILE 5 -21.360 4.368 -7.303 49 1HD1 ILE 5 2HD1 ILE 5 -21.095 7.649 -9.671 50 2HD1 ILE 5 1HD1 ILE 5 -22.745 7.914 -9.108 51 3HD1 ILE 5 3HD1 ILE 5 -21.536 9.183 -8.920 52 H THR 6 H THR 6 -18.119 4.436 -6.406 53 HA THR 6 HA THR 6 -16.043 3.881 -8.317 54 HB THR 6 HB THR 6 -17.275 1.676 -6.710 55 HG1 THR 6 HG1 THR 6 -17.129 2.844 -4.988 56 1HG2 THR 6 1HG2 THR 6 -15.182 1.518 -8.182 57 2HG2 THR 6 3HG2 THR 6 -14.393 2.536 -6.977 58 3HG2 THR 6 2HG2 THR 6 -15.018 0.951 -6.520 59 H LEU 7 H LEU 7 -15.999 2.351 -10.005 60 HA LEU 7 HA LEU 7 -18.293 2.118 -11.640 61 1HB LEU 7 2HB LEU 7 -16.085 1.816 -12.583 62 2HB LEU 7 1HB LEU 7 -15.768 0.446 -11.519 63 HG LEU 7 HG LEU 7 -17.546 -0.844 -12.602 64 1HD1 LEU 7 3HD1 LEU 7 -19.009 1.091 -13.145 65 2HD1 LEU 7 2HD1 LEU 7 -17.866 1.585 -14.393 66 3HD1 LEU 7 1HD1 LEU 7 -18.736 0.060 -14.548 67 1HD2 LEU 7 2HD2 LEU 7 -15.108 -0.039 -13.776 68 2HD2 LEU 7 1HD2 LEU 7 -16.039 -1.489 -14.153 69 3HD2 LEU 7 3HD2 LEU 7 -16.297 -0.009 -15.077 70 H LYS 8 H LYS 8 -17.197 0.159 -8.968 71 HA LYS 8 HA LYS 8 -18.839 -2.144 -9.607 72 1HB LYS 8 2HB LYS 8 -18.104 -3.034 -7.545 73 2HB LYS 8 1HB LYS 8 -16.752 -2.040 -8.087 74 1HG LYS 8 2HG LYS 8 -17.559 -0.179 -6.670 75 2HG LYS 8 1HG LYS 8 -18.891 -1.191 -6.111 76 1HD LYS 8 2HD LYS 8 -17.502 -2.570 -4.859 77 2HD LYS 8 1HD LYS 8 -16.090 -2.229 -5.859 78 1HE LYS 8 2HE LYS 8 -15.749 -0.112 -4.860 79 2HE LYS 8 1HE LYS 8 -17.375 -0.076 -4.180 80 1HZ LYS 8 2HZ LYS 8 -15.475 -2.190 -3.399 81 2HZ LYS 8 1HZ LYS 8 -15.408 -0.663 -2.658 82 3HZ LYS 8 3HZ LYS 8 -16.821 -1.595 -2.551 83 H ASP 9 H ASP 9 -19.197 0.628 -7.413 84 HA ASP 9 HA ASP 9 -21.790 -0.246 -6.444 85 1HB ASP 9 2HB ASP 9 -20.041 2.129 -6.110 86 2HB ASP 9 1HB ASP 9 -21.769 2.406 -5.884 87 OH TYR 10 OH TYR 10 -24.681 4.833 -15.552 88 H TYR 10 H TYR 10 -20.688 1.508 -9.229 89 HA TYR 10 HA TYR 10 -23.313 2.724 -9.744 90 1HB TYR 10 2HB TYR 10 -21.345 3.944 -10.481 91 2HB TYR 10 1HB TYR 10 -20.780 2.552 -11.403 92 HD1 TYR 10 HD2 TYR 10 -22.362 1.649 -13.258 93 HD2 TYR 10 HD1 TYR 10 -22.725 5.548 -11.498 94 HE1 TYR 10 HE2 TYR 10 -23.681 2.409 -15.217 95 HE2 TYR 10 HE1 TYR 10 -24.043 6.309 -13.456 96 HH TYR 10 HH TYR 10 -25.384 5.404 -15.232 97 H ALA 11 H ALA 11 -21.411 -0.024 -10.893 98 HA ALA 11 HA ALA 11 -23.366 -0.746 -12.939 99 1HB ALA 11 3HB ALA 11 -20.707 -1.478 -12.303 100 2HB ALA 11 2HB ALA 11 -21.673 -2.947 -12.165 101 3HB ALA 11 1HB ALA 11 -21.672 -2.030 -13.671 102 H MET 12 H MET 12 -22.805 -1.523 -9.562 103 HA MET 12 HA MET 12 -24.715 -3.758 -9.648 104 1HB MET 12 2HB MET 12 -22.972 -4.249 -8.176 105 2HB MET 12 1HB MET 12 -22.851 -2.586 -7.609 106 1HG MET 12 2HG MET 12 -24.592 -2.816 -6.121 107 2HG MET 12 1HG MET 12 -25.391 -4.057 -7.086 108 1HE MET 12 3HE MET 12 -25.474 -6.267 -6.626 109 2HE MET 12 2HE MET 12 -24.783 -7.054 -5.210 110 3HE MET 12 1HE MET 12 -25.859 -5.672 -5.004 111 NH1 ARG 13 NH1 ARG 13 -26.847 2.248 -2.340 112 NH2 ARG 13 NH2 ARG 13 -24.977 3.453 -1.945 113 H ARG 13 H ARG 13 -24.450 -0.543 -8.128 114 HA ARG 13 HA ARG 13 -27.094 -0.639 -6.973 115 1HB ARG 13 2HB ARG 13 -25.413 1.791 -7.661 116 2HB ARG 13 1HB ARG 13 -26.780 1.750 -6.548 117 1HG ARG 13 2HG ARG 13 -24.785 -0.293 -5.924 118 2HG ARG 13 1HG ARG 13 -24.120 1.339 -5.855 119 1HD ARG 13 2HD ARG 13 -26.775 1.155 -4.641 120 2HD ARG 13 1HD ARG 13 -25.593 0.113 -3.850 121 HE ARG 13 HE ARG 13 -24.342 2.615 -4.191 122 1HH1 ARG 13 2HH1 ARG 13 -27.363 1.613 -2.915 123 2HH1 ARG 13 1HH1 ARG 13 -27.249 2.595 -1.493 124 1HH2 ARG 13 1HH2 ARG 13 -24.058 3.743 -2.217 125 2HH2 ARG 13 2HH2 ARG 13 -25.379 3.799 -1.097 126 H PHE 14 H PHE 14 -25.871 0.195 -10.135 127 HA PHE 14 HA PHE 14 -28.620 1.116 -10.878 128 1HB PHE 14 2HB PHE 14 -26.041 1.741 -12.339 129 2HB PHE 14 1HB PHE 14 -27.628 2.457 -12.621 130 HD1 PHE 14 HD1 PHE 14 -28.698 3.149 -10.086 131 HD2 PHE 14 HD2 PHE 14 -24.597 3.286 -11.352 132 HE1 PHE 14 HE1 PHE 14 -28.227 4.880 -8.373 133 HE2 PHE 14 HE2 PHE 14 -24.126 5.018 -9.641 134 HZ PHE 14 HZ PHE 14 -25.940 5.814 -8.151 135 H GLY 15 H GLY 15 -25.878 -0.911 -11.799 136 1HA GLY 15 2HA GLY 15 -26.693 -3.154 -12.739 137 2HA GLY 15 1HA GLY 15 -27.615 -2.173 -13.880 138 H GLN 16 H GLN 16 -25.061 -4.063 -13.928 139 HA GLN 16 HA GLN 16 -22.980 -2.377 -15.026 140 1HB GLN 16 2HB GLN 16 -23.365 -5.349 -15.468 141 2HB GLN 16 1HB GLN 16 -21.858 -4.438 -15.582 142 1HG GLN 16 2HG GLN 16 -21.503 -4.641 -13.369 143 2HG GLN 16 1HG GLN 16 -23.102 -3.985 -13.012 144 1HE2 GLN 16 2HE2 GLN 16 -23.197 -8.018 -13.746 145 2HE2 GLN 16 1HE2 GLN 16 -22.469 -6.973 -14.870 146 H THR 17 H THR 17 -25.855 -3.817 -16.322 147 HA THR 17 HA THR 17 -25.037 -3.906 -19.086 148 HB THR 17 HB THR 17 -26.973 -5.163 -18.607 149 HG1 THR 17 HG1 THR 17 -28.248 -2.839 -19.504 150 1HG2 THR 17 3HG2 THR 17 -27.796 -2.728 -17.045 151 2HG2 THR 17 2HG2 THR 17 -29.006 -3.901 -17.566 152 3HG2 THR 17 1HG2 THR 17 -27.687 -4.405 -16.509 153 H LYS 18 H LYS 18 -26.489 -1.401 -17.047 154 HA LYS 18 HA LYS 18 -26.716 0.432 -19.341 155 1HB LYS 18 2HB LYS 18 -27.307 2.079 -17.393 156 2HB LYS 18 1HB LYS 18 -28.460 0.822 -17.833 157 1HG LYS 18 2HG LYS 18 -27.764 -0.571 -16.000 158 2HG LYS 18 1HG LYS 18 -26.393 0.483 -15.647 159 1HD LYS 18 2HD LYS 18 -28.037 1.092 -14.049 160 2HD LYS 18 1HD LYS 18 -28.145 2.339 -15.292 161 1HE LYS 18 2HE LYS 18 -29.825 0.009 -15.869 162 2HE LYS 18 1HE LYS 18 -30.264 0.817 -14.364 163 1HZ LYS 18 3HZ LYS 18 -29.738 2.443 -16.749 164 2HZ LYS 18 2HZ LYS 18 -31.223 1.629 -16.629 165 3HZ LYS 18 1HZ LYS 18 -30.770 2.754 -15.439 166 H THR 19 H THR 19 -24.429 -0.366 -16.877 167 HA THR 19 HA THR 19 -22.992 2.166 -16.942 168 HB THR 19 HB THR 19 -21.894 -0.540 -16.129 169 HG1 THR 19 HG1 THR 19 -23.993 0.564 -15.140 170 1HG2 THR 19 3HG2 THR 19 -21.145 2.330 -15.690 171 2HG2 THR 19 2HG2 THR 19 -20.741 1.137 -14.455 172 3HG2 THR 19 1HG2 THR 19 -20.115 0.958 -16.094 173 H ALA 20 H ALA 20 -22.944 -0.835 -18.755 174 HA ALA 20 HA ALA 20 -20.445 -0.130 -20.149 175 1HB ALA 20 2HB ALA 20 -21.658 -2.529 -19.586 176 2HB ALA 20 1HB ALA 20 -22.121 -2.284 -21.270 177 3HB ALA 20 3HB ALA 20 -20.416 -2.305 -20.818 178 H LYS 21 H LYS 21 -23.895 0.151 -20.613 179 HA LYS 21 HA LYS 21 -23.675 0.713 -23.482 180 1HB LYS 21 2HB LYS 21 -25.754 -0.046 -21.800 181 2HB LYS 21 1HB LYS 21 -26.116 1.642 -22.158 182 1HG LYS 21 2HG LYS 21 -25.837 1.149 -24.588 183 2HG LYS 21 1HG LYS 21 -25.604 -0.553 -24.186 184 1HD LYS 21 2HD LYS 21 -27.889 -0.513 -24.631 185 2HD LYS 21 1HD LYS 21 -27.883 -0.244 -22.888 186 1HE LYS 21 2HE LYS 21 -28.444 1.989 -23.090 187 2HE LYS 21 1HE LYS 21 -27.684 2.146 -24.673 188 1HZ LYS 21 3HZ LYS 21 -29.892 0.297 -24.605 189 2HZ LYS 21 2HZ LYS 21 -30.332 1.900 -24.250 190 3HZ LYS 21 1HZ LYS 21 -29.548 1.536 -25.712 191 H ASP 22 H ASP 22 -23.788 2.507 -20.472 192 HA ASP 22 HA ASP 22 -24.100 5.093 -21.821 193 1HB ASP 22 2HB ASP 22 -23.805 4.154 -18.992 194 2HB ASP 22 1HB ASP 22 -23.421 5.836 -19.364 195 H LEU 23 H LEU 23 -21.512 3.145 -20.430 196 HA LEU 23 HA LEU 23 -19.521 5.270 -20.840 197 1HB LEU 23 2HB LEU 23 -19.464 2.453 -19.785 198 2HB LEU 23 1HB LEU 23 -17.958 3.254 -20.236 199 HG LEU 23 HG LEU 23 -19.922 4.705 -18.490 200 1HD1 LEU 23 3HD1 LEU 23 -18.917 2.182 -17.800 201 2HD1 LEU 23 2HD1 LEU 23 -17.856 3.327 -16.980 202 3HD1 LEU 23 1HD1 LEU 23 -19.595 3.379 -16.696 203 1HD2 LEU 23 3HD2 LEU 23 -16.932 4.689 -18.935 204 2HD2 LEU 23 2HD2 LEU 23 -18.065 6.011 -19.212 205 3HD2 LEU 23 1HD2 LEU 23 -17.668 5.520 -17.565 206 H GLY 24 H GLY 24 -20.858 2.609 -22.604 207 1HA GLY 24 2HA GLY 24 -20.527 2.157 -24.914 208 2HA GLY 24 1HA GLY 24 -19.176 3.292 -24.915 209 H VAL 25 H VAL 25 -19.371 0.799 -22.485 210 HA VAL 25 HA VAL 25 -17.021 -0.525 -23.771 211 HB VAL 25 HB VAL 25 -17.561 -1.281 -20.994 212 1HG1 VAL 25 1HG1 VAL 25 -15.416 -1.140 -22.754 213 2HG1 VAL 25 3HG1 VAL 25 -15.089 0.156 -21.604 214 3HG1 VAL 25 2HG1 VAL 25 -15.313 -1.496 -21.030 215 1HG2 VAL 25 3HG2 VAL 25 -17.366 1.618 -21.747 216 2HG2 VAL 25 2HG2 VAL 25 -18.289 0.862 -20.448 217 3HG2 VAL 25 1HG2 VAL 25 -16.544 1.067 -20.286 218 OH TYR 26 OH TYR 26 -14.004 -2.674 -27.423 219 H TYR 26 H TYR 26 -16.916 -2.963 -23.126 220 HA TYR 26 HA TYR 26 -19.504 -4.144 -23.904 221 1HB TYR 26 2HB TYR 26 -17.159 -5.865 -23.241 222 2HB TYR 26 1HB TYR 26 -18.304 -5.994 -24.576 223 HD1 TYR 26 HD1 TYR 26 -18.218 -4.023 -26.335 224 HD2 TYR 26 HD2 TYR 26 -15.013 -5.050 -23.667 225 HE1 TYR 26 HE1 TYR 26 -16.606 -2.873 -27.829 226 HE2 TYR 26 HE2 TYR 26 -13.400 -3.901 -25.162 227 HH TYR 26 HH TYR 26 -13.580 -1.974 -26.922 228 H GLN 27 H GLN 27 -20.410 -5.972 -22.645 229 HA GLN 27 HA GLN 27 -20.573 -5.359 -19.839 230 1HB GLN 27 2HB GLN 27 -21.396 -7.864 -21.345 231 2HB GLN 27 1HB GLN 27 -21.858 -7.484 -19.685 232 1HG GLN 27 2HG GLN 27 -22.657 -5.204 -20.811 233 2HG GLN 27 1HG GLN 27 -22.772 -6.232 -22.240 234 1HE2 GLN 27 2HE2 GLN 27 -26.043 -6.519 -20.517 235 2HE2 GLN 27 1HE2 GLN 27 -25.184 -5.301 -21.329 236 H SER 28 H SER 28 -18.569 -7.526 -21.730 237 HA SER 28 HA SER 28 -17.596 -9.007 -19.407 238 1HB SER 28 2HB SER 28 -16.906 -8.905 -22.326 239 2HB SER 28 1HB SER 28 -15.762 -9.633 -21.202 240 HG SER 28 HG SER 28 -17.337 -11.077 -20.574 241 H ALA 29 H ALA 29 -16.993 -5.941 -20.731 242 HA ALA 29 HA ALA 29 -14.188 -5.792 -19.855 243 1HB ALA 29 1HB ALA 29 -15.804 -4.326 -21.641 244 2HB ALA 29 3HB ALA 29 -15.459 -3.222 -20.310 245 3HB ALA 29 2HB ALA 29 -14.134 -3.973 -21.198 246 H ILE 30 H ILE 30 -17.350 -4.539 -18.883 247 HA ILE 30 HA ILE 30 -16.375 -3.200 -16.512 248 HB ILE 30 HB ILE 30 -19.103 -4.082 -17.475 249 1HG1 ILE 30 2HG1 ILE 30 -17.838 -1.374 -16.946 250 2HG1 ILE 30 1HG1 ILE 30 -18.088 -2.101 -18.534 251 1HG2 ILE 30 2HG2 ILE 30 -18.978 -4.281 -14.986 252 2HG2 ILE 30 1HG2 ILE 30 -18.491 -2.587 -14.911 253 3HG2 ILE 30 3HG2 ILE 30 -20.089 -3.020 -15.522 254 1HD1 ILE 30 1HD1 ILE 30 -20.601 -2.285 -17.568 255 2HD1 ILE 30 3HD1 ILE 30 -20.060 -0.856 -16.689 256 3HD1 ILE 30 2HD1 ILE 30 -20.023 -0.873 -18.452 257 H ASN 31 H ASN 31 -17.308 -6.457 -17.330 258 HA ASN 31 HA ASN 31 -17.658 -7.355 -14.581 259 1HB ASN 31 2HB ASN 31 -18.742 -8.534 -16.459 260 2HB ASN 31 1HB ASN 31 -17.157 -8.939 -17.120 261 1HD2 ASN 31 2HD2 ASN 31 -17.119 -11.891 -15.207 262 2HD2 ASN 31 1HD2 ASN 31 -16.847 -11.142 -16.706 263 H LYS 32 H LYS 32 -15.013 -7.365 -16.951 264 HA LYS 32 HA LYS 32 -13.230 -8.911 -15.271 265 1HB LYS 32 2HB LYS 32 -11.494 -8.274 -16.870 266 2HB LYS 32 1HB LYS 32 -12.957 -8.749 -17.736 267 1HG LYS 32 2HG LYS 32 -13.544 -6.501 -18.199 268 2HG LYS 32 1HG LYS 32 -12.398 -5.875 -17.013 269 1HD LYS 32 2HD LYS 32 -11.517 -5.587 -19.297 270 2HD LYS 32 1HD LYS 32 -10.520 -6.719 -18.384 271 1HE LYS 32 2HE LYS 32 -12.356 -8.421 -19.471 272 2HE LYS 32 1HE LYS 32 -12.243 -7.201 -20.740 273 1HZ LYS 32 1HZ LYS 32 -9.745 -7.452 -20.461 274 2HZ LYS 32 3HZ LYS 32 -10.088 -8.875 -19.605 275 3HZ LYS 32 2HZ LYS 32 -10.568 -8.726 -21.227 276 H ALA 33 H ALA 33 -14.092 -5.545 -15.519 277 HA ALA 33 HA ALA 33 -11.759 -4.541 -14.102 278 1HB ALA 33 3HB ALA 33 -14.293 -3.444 -15.156 279 2HB ALA 33 2HB ALA 33 -13.683 -2.636 -13.712 280 3HB ALA 33 1HB ALA 33 -12.677 -2.739 -15.157 281 H ILE 34 H ILE 34 -15.080 -5.404 -13.209 282 HA ILE 34 HA ILE 34 -14.717 -4.700 -10.409 283 HB ILE 34 HB ILE 34 -16.816 -6.273 -11.918 284 1HG1 ILE 34 2HG1 ILE 34 -16.805 -3.604 -10.471 285 2HG1 ILE 34 1HG1 ILE 34 -16.848 -3.842 -12.218 286 1HG2 ILE 34 1HG2 ILE 34 -16.285 -6.093 -9.007 287 2HG2 ILE 34 3HG2 ILE 34 -17.954 -5.797 -9.496 288 3HG2 ILE 34 2HG2 ILE 34 -17.168 -7.319 -9.917 289 1HD1 ILE 34 1HD1 ILE 34 -18.973 -5.341 -11.563 290 2HD1 ILE 34 3HD1 ILE 34 -19.009 -4.226 -10.197 291 3HD1 ILE 34 2HD1 ILE 34 -19.110 -3.606 -11.846 292 H HIS 35 H HIS 35 -14.268 -7.558 -12.379 293 HA HIS 35 HA HIS 35 -14.076 -9.448 -10.207 294 1HB HIS 35 2HB HIS 35 -13.280 -9.425 -13.105 295 2HB HIS 35 1HB HIS 35 -12.695 -10.717 -12.056 296 HD1 HIS 35 HD1 HIS 35 -14.166 -12.665 -12.652 297 HD2 HIS 35 HD2 HIS 35 -16.368 -9.177 -12.043 298 HE1 HIS 35 HE1 HIS 35 -16.608 -13.331 -12.751 299 H ALA 36 H ALA 36 -11.778 -7.340 -11.864 300 HA ALA 36 HA ALA 36 -9.468 -8.484 -10.480 301 1HB ALA 36 1HB ALA 36 -9.333 -7.407 -12.748 302 2HB ALA 36 3HB ALA 36 -9.678 -5.859 -11.980 303 3HB ALA 36 2HB ALA 36 -8.199 -6.731 -11.579 304 H GLY 37 H GLY 37 -11.877 -6.122 -9.793 305 1HA GLY 37 2HA GLY 37 -12.174 -4.697 -7.954 306 2HA GLY 37 1HA GLY 37 -11.026 -5.735 -7.109 307 NH1 ARG 38 NH1 ARG 38 -5.117 -6.640 -10.177 308 NH2 ARG 38 NH2 ARG 38 -5.538 -7.468 -12.238 309 H ARG 38 H ARG 38 -10.104 -4.110 -10.068 310 HA ARG 38 HA ARG 38 -7.830 -2.873 -8.817 311 1HB ARG 38 2HB ARG 38 -9.037 -2.956 -11.500 312 2HB ARG 38 1HB ARG 38 -8.217 -1.437 -11.135 313 1HG ARG 38 2HG ARG 38 -6.486 -2.775 -11.998 314 2HG ARG 38 1HG ARG 38 -6.294 -2.953 -10.253 315 1HD ARG 38 2HD ARG 38 -7.327 -5.091 -10.247 316 2HD ARG 38 1HD ARG 38 -7.980 -4.867 -11.870 317 HE ARG 38 HE ARG 38 -5.396 -4.801 -12.481 318 1HH1 ARG 38 2HH1 ARG 38 -5.102 -5.869 -9.539 319 2HH1 ARG 38 1HH1 ARG 38 -4.821 -7.545 -9.873 320 1HH2 ARG 38 1HH2 ARG 38 -5.846 -7.332 -13.179 321 2HH2 ARG 38 2HH2 ARG 38 -5.241 -8.373 -11.934 322 H LYS 39 H LYS 39 -7.648 -0.291 -9.463 323 HA LYS 39 HA LYS 39 -9.784 0.961 -7.828 324 1HB LYS 39 2HB LYS 39 -6.962 1.601 -8.511 325 2HB LYS 39 1HB LYS 39 -8.046 2.980 -8.327 326 1HG LYS 39 2HG LYS 39 -6.863 2.196 -6.199 327 2HG LYS 39 1HG LYS 39 -8.615 2.361 -6.092 328 1HD LYS 39 2HD LYS 39 -8.925 -0.021 -6.374 329 2HD LYS 39 1HD LYS 39 -7.210 -0.250 -6.718 330 1HE LYS 39 2HE LYS 39 -6.732 -0.391 -4.524 331 2HE LYS 39 1HE LYS 39 -7.539 1.145 -4.207 332 1HZ LYS 39 2HZ LYS 39 -9.678 -0.160 -4.353 333 2HZ LYS 39 1HZ LYS 39 -8.726 -1.565 -4.265 334 3HZ LYS 39 3HZ LYS 39 -8.714 -0.451 -2.984 335 H ILE 40 H ILE 40 -11.292 0.641 -9.663 336 HA ILE 40 HA ILE 40 -10.900 2.653 -11.832 337 HB ILE 40 HB ILE 40 -12.868 0.348 -11.646 338 1HG1 ILE 40 2HG1 ILE 40 -10.555 0.619 -13.566 339 2HG1 ILE 40 1HG1 ILE 40 -10.336 -0.118 -11.978 340 1HG2 ILE 40 1HG2 ILE 40 -13.704 2.266 -12.966 341 2HG2 ILE 40 3HG2 ILE 40 -12.223 2.245 -13.925 342 3HG2 ILE 40 2HG2 ILE 40 -13.344 0.884 -14.003 343 1HD1 ILE 40 2HD1 ILE 40 -12.393 -1.573 -12.610 344 2HD1 ILE 40 1HD1 ILE 40 -12.062 -1.056 -14.264 345 3HD1 ILE 40 3HD1 ILE 40 -10.845 -1.956 -13.361 346 H PHE 41 H PHE 41 -11.581 4.523 -10.830 347 HA PHE 41 HA PHE 41 -14.085 4.556 -9.297 348 1HB PHE 41 2HB PHE 41 -12.444 6.949 -10.140 349 2HB PHE 41 1HB PHE 41 -13.487 6.780 -8.725 350 HD1 PHE 41 HD1 PHE 41 -12.731 4.117 -7.708 351 HD2 PHE 41 HD2 PHE 41 -10.263 7.271 -9.265 352 HE1 PHE 41 HE1 PHE 41 -10.817 3.278 -6.379 353 HE2 PHE 41 HE2 PHE 41 -8.351 6.430 -7.932 354 HZ PHE 41 HZ PHE 41 -8.627 4.432 -6.490 355 H LEU 42 H LEU 42 -15.833 6.100 -9.898 356 HA LEU 42 HA LEU 42 -16.040 6.399 -12.869 357 1HB LEU 42 2HB LEU 42 -17.648 4.854 -11.143 358 2HB LEU 42 1HB LEU 42 -18.613 6.271 -11.549 359 HG LEU 42 HG LEU 42 -18.227 5.856 -13.949 360 1HD1 LEU 42 1HD1 LEU 42 -15.982 4.567 -13.244 361 2HD1 LEU 42 3HD1 LEU 42 -17.058 3.177 -13.374 362 3HD1 LEU 42 2HD1 LEU 42 -16.814 4.233 -14.763 363 1HD2 LEU 42 2HD2 LEU 42 -19.420 3.794 -12.151 364 2HD2 LEU 42 1HD2 LEU 42 -20.193 4.780 -13.392 365 3HD2 LEU 42 3HD2 LEU 42 -19.239 3.370 -13.853 366 H THR 43 H THR 43 -16.116 8.509 -13.421 367 HA THR 43 HA THR 43 -17.249 10.451 -11.450 368 HB THR 43 HB THR 43 -15.145 10.812 -13.603 369 HG1 THR 43 HG1 THR 43 -14.352 9.986 -11.689 370 1HG2 THR 43 3HG2 THR 43 -16.913 12.744 -12.224 371 2HG2 THR 43 2HG2 THR 43 -15.200 13.165 -12.243 372 3HG2 THR 43 1HG2 THR 43 -16.058 12.895 -13.760 373 H ILE 44 H ILE 44 -19.257 11.104 -12.061 374 HA ILE 44 HA ILE 44 -20.036 10.875 -14.900 375 HB ILE 44 HB ILE 44 -21.894 11.985 -12.839 376 1HG1 ILE 44 2HG1 ILE 44 -20.891 10.223 -11.547 377 2HG1 ILE 44 1HG1 ILE 44 -22.405 9.576 -12.182 378 1HG2 ILE 44 3HG2 ILE 44 -22.570 11.615 -15.204 379 2HG2 ILE 44 2HG2 ILE 44 -22.184 9.902 -15.028 380 3HG2 ILE 44 1HG2 ILE 44 -23.497 10.611 -14.089 381 1HD1 ILE 44 2HD1 ILE 44 -20.811 8.864 -14.206 382 2HD1 ILE 44 1HD1 ILE 44 -19.595 8.903 -12.929 383 3HD1 ILE 44 3HD1 ILE 44 -21.001 7.848 -12.778 384 H ASN 45 H ASN 45 -19.380 12.595 -16.133 385 HA ASN 45 HA ASN 45 -18.761 15.188 -15.287 386 1HB ASN 45 2HB ASN 45 -19.864 14.171 -17.908 387 2HB ASN 45 1HB ASN 45 -19.427 15.863 -17.672 388 1HD2 ASN 45 2HD2 ASN 45 -16.041 15.196 -18.299 389 2HD2 ASN 45 1HD2 ASN 45 -17.340 16.286 -18.374 390 H ALA 46 H ALA 46 -19.935 17.034 -14.913 391 HA ALA 46 HA ALA 46 -22.462 17.012 -13.807 392 1HB ALA 46 3HB ALA 46 -20.635 18.979 -14.490 393 2HB ALA 46 2HB ALA 46 -22.064 19.419 -15.423 394 3HB ALA 46 1HB ALA 46 -22.173 19.247 -13.671 395 H ASP 47 H ASP 47 -21.726 16.787 -17.210 396 HA ASP 47 HA ASP 47 -24.472 17.459 -18.012 397 1HB ASP 47 2HB ASP 47 -22.270 16.245 -19.702 398 2HB ASP 47 1HB ASP 47 -23.707 17.097 -20.269 399 H GLY 48 H GLY 48 -24.101 15.189 -16.176 400 1HA GLY 48 2HA GLY 48 -24.911 13.002 -15.922 401 2HA GLY 48 1HA GLY 48 -25.879 13.318 -17.363 402 H SER 49 H SER 49 -22.481 13.730 -17.690 403 HA SER 49 HA SER 49 -22.396 11.379 -19.494 404 1HB SER 49 2HB SER 49 -21.079 12.781 -20.669 405 2HB SER 49 1HB SER 49 -21.064 13.939 -19.344 406 HG SER 49 HG SER 49 -19.004 13.343 -19.421 407 H VAL 50 H VAL 50 -20.505 9.910 -19.339 408 HA VAL 50 HA VAL 50 -19.890 9.371 -16.468 409 HB VAL 50 HB VAL 50 -19.368 7.450 -18.732 410 1HG1 VAL 50 1HG1 VAL 50 -18.506 7.071 -16.383 411 2HG1 VAL 50 3HG1 VAL 50 -20.185 7.001 -15.849 412 3HG1 VAL 50 2HG1 VAL 50 -19.570 5.800 -16.984 413 1HG2 VAL 50 3HG2 VAL 50 -21.984 7.936 -17.273 414 2HG2 VAL 50 2HG2 VAL 50 -21.696 8.113 -19.005 415 3HG2 VAL 50 1HG2 VAL 50 -21.648 6.514 -18.262 416 OH TYR 51 OH TYR 51 -10.033 11.952 -17.249 417 H TYR 51 H TYR 51 -17.711 8.873 -15.868 418 HA TYR 51 HA TYR 51 -15.566 9.261 -17.845 419 1HB TYR 51 2HB TYR 51 -16.155 11.578 -17.137 420 2HB TYR 51 1HB TYR 51 -15.841 11.121 -15.462 421 HD1 TYR 51 HD2 TYR 51 -14.130 10.668 -18.779 422 HD2 TYR 51 HD1 TYR 51 -13.774 11.792 -14.649 423 HE1 TYR 51 HE2 TYR 51 -11.713 11.114 -19.109 424 HE2 TYR 51 HE1 TYR 51 -11.356 12.238 -14.978 425 HH TYR 51 HH TYR 51 -9.695 11.300 -17.868 426 H ALA 52 H ALA 52 -15.415 6.972 -17.031 427 HA ALA 52 HA ALA 52 -14.600 6.561 -14.260 428 1HB ALA 52 1HB ALA 52 -15.706 4.924 -16.096 429 2HB ALA 52 3HB ALA 52 -14.009 4.495 -16.315 430 3HB ALA 52 2HB ALA 52 -14.765 4.323 -14.730 431 H GLU 53 H GLU 53 -12.513 6.234 -13.502 432 HA GLU 53 HA GLU 53 -10.272 6.398 -15.457 433 1HB GLU 53 2HB GLU 53 -11.032 8.401 -13.433 434 2HB GLU 53 1HB GLU 53 -9.336 7.918 -13.377 435 1HG GLU 53 2HG GLU 53 -9.930 8.209 -16.109 436 2HG GLU 53 1HG GLU 53 -10.691 9.590 -15.319 437 H GLU 54 H GLU 54 -8.174 5.941 -14.320 438 HA GLU 54 HA GLU 54 -8.589 3.952 -12.123 439 1HB GLU 54 2HB GLU 54 -7.934 3.020 -14.423 440 2HB GLU 54 1HB GLU 54 -6.382 3.825 -14.190 441 1HG GLU 54 2HG GLU 54 -5.674 2.177 -12.833 442 2HG GLU 54 1HG GLU 54 -7.095 2.362 -11.804 443 H VAL 55 H VAL 55 -7.436 4.422 -10.294 444 HA VAL 55 HA VAL 55 -4.918 5.941 -10.527 445 HB VAL 55 HB VAL 55 -6.665 7.099 -8.463 446 1HG1 VAL 55 1HG1 VAL 55 -4.348 7.817 -9.463 447 2HG1 VAL 55 3HG1 VAL 55 -5.327 8.544 -10.737 448 3HG1 VAL 55 2HG1 VAL 55 -5.535 9.059 -9.063 449 1HG2 VAL 55 3HG2 VAL 55 -8.325 6.678 -10.300 450 2HG2 VAL 55 2HG2 VAL 55 -8.061 8.393 -9.986 451 3HG2 VAL 55 1HG2 VAL 55 -7.308 7.626 -11.384 452 H LYS 56 H LYS 56 -3.671 4.497 -9.447 453 HA LYS 56 HA LYS 56 -4.258 4.021 -6.606 454 1HB LYS 56 2HB LYS 56 -5.423 2.152 -7.579 455 2HB LYS 56 1HB LYS 56 -4.077 1.806 -8.662 456 1HG LYS 56 2HG LYS 56 -3.576 0.265 -7.030 457 2HG LYS 56 1HG LYS 56 -2.777 1.654 -6.296 458 1HD LYS 56 2HD LYS 56 -4.982 2.150 -5.122 459 2HD LYS 56 1HD LYS 56 -5.529 0.565 -5.672 460 1HE LYS 56 2HE LYS 56 -4.649 -0.008 -3.605 461 2HE LYS 56 1HE LYS 56 -3.223 -0.224 -4.619 462 1HZ LYS 56 2HZ LYS 56 -3.894 2.247 -3.113 463 2HZ LYS 56 1HZ LYS 56 -2.748 1.087 -2.632 464 3HZ LYS 56 3HZ LYS 56 -2.497 1.990 -4.044 465 HA PRO 57 HA PRO 57 0.158 4.550 -6.929 466 1HB PRO 57 2HB PRO 57 0.619 4.575 -4.219 467 2HB PRO 57 1HB PRO 57 0.012 5.972 -5.126 468 1HG PRO 57 2HG PRO 57 -1.466 4.136 -3.295 469 2HG PRO 57 1HG PRO 57 -1.799 5.829 -3.695 470 1HD PRO 57 2HD PRO 57 -3.161 3.589 -4.751 471 2HD PRO 57 1HD PRO 57 -3.226 5.244 -5.394 472 H PHE 58 H PHE 58 2.109 3.329 -6.110 473 HA PHE 58 HA PHE 58 1.731 0.744 -4.842 474 1HB PHE 58 2HB PHE 58 1.017 -0.202 -6.825 475 2HB PHE 58 1HB PHE 58 1.860 0.982 -7.815 476 HD1 PHE 58 HD1 PHE 58 4.416 0.843 -7.961 477 HD2 PHE 58 HD2 PHE 58 1.974 -2.326 -6.395 478 HE1 PHE 58 HE1 PHE 58 6.272 -0.762 -8.313 479 HE2 PHE 58 HE2 PHE 58 3.830 -3.931 -6.747 480 HZ PHE 58 HZ PHE 58 5.980 -3.150 -7.707 481 HA PRO 59 HA PRO 59 2.792 -1.003 -4.660 482 1HB PRO 59 2HB PRO 59 4.318 -1.926 -2.568 483 2HB PRO 59 1HB PRO 59 4.656 -2.301 -4.266 484 1HG PRO 59 2HG PRO 59 6.088 -0.437 -2.442 485 2HG PRO 59 1HG PRO 59 6.687 -1.281 -3.878 486 1HD PRO 59 2HD PRO 59 5.912 1.449 -3.733 487 2HD PRO 59 1HD PRO 59 6.256 0.527 -5.212 488 H SER 60 H SER 60 1.741 -1.674 -2.475 489 HA SER 60 HA SER 60 0.385 0.460 -1.283 490 1HB SER 60 2HB SER 60 0.974 -2.346 -0.448 491 2HB SER 60 1HB SER 60 0.327 -1.252 0.772 492 HG SER 60 HG SER 60 -1.532 -1.501 -0.153 493 H ASN 61 H ASN 61 3.625 -0.647 -0.684 494 HA ASN 61 HA ASN 61 3.872 0.714 1.894 495 1HB ASN 61 2HB ASN 61 5.483 -1.069 0.262 496 2HB ASN 61 1HB ASN 61 6.443 0.285 0.857 497 1HD2 ASN 61 2HD2 ASN 61 4.523 -1.856 3.798 498 2HD2 ASN 61 1HD2 ASN 61 3.669 -1.416 2.400 499 H LYS 62 H LYS 62 5.619 2.443 2.141 500 HA LYS 62 HA LYS 62 5.827 4.170 -0.278 501 1HB LYS 62 2HB LYS 62 4.736 4.943 2.431 502 2HB LYS 62 1HB LYS 62 5.391 6.142 1.315 503 1HG LYS 62 2HG LYS 62 3.803 5.217 -0.439 504 2HG LYS 62 1HG LYS 62 3.044 4.286 0.854 505 1HD LYS 62 2HD LYS 62 2.167 6.162 1.881 506 2HD LYS 62 1HD LYS 62 3.454 7.214 1.292 507 1HE LYS 62 2HE LYS 62 2.463 6.791 -1.057 508 2HE LYS 62 1HE LYS 62 1.043 6.188 -0.202 509 1HZ LYS 62 3HZ LYS 62 2.087 8.725 0.736 510 2HZ LYS 62 2HZ LYS 62 1.421 8.750 -0.826 511 3HZ LYS 62 1HZ LYS 62 0.482 8.233 0.493 512 H LYS 63 H LYS 63 8.013 4.232 -0.559 513 HA LYS 63 HA LYS 63 10.307 4.316 -0.008 514 1HB LYS 63 2HB LYS 63 9.084 6.685 0.531 515 2HB LYS 63 1HB LYS 63 9.770 6.314 2.114 516 1HG LYS 63 2HG LYS 63 11.972 6.285 1.292 517 2HG LYS 63 1HG LYS 63 11.446 6.055 -0.376 518 1HD LYS 63 2HD LYS 63 11.102 8.283 -0.709 519 2HD LYS 63 1HD LYS 63 10.451 8.523 0.913 520 1HE LYS 63 2HE LYS 63 13.111 7.891 1.386 521 2HE LYS 63 1HE LYS 63 13.185 8.892 -0.063 522 1HZ LYS 63 3HZ LYS 63 11.426 10.248 1.414 523 2HZ LYS 63 2HZ LYS 63 12.408 9.597 2.637 524 3HZ LYS 63 1HZ LYS 63 13.094 10.558 1.415 525 H THR 64 H THR 64 11.279 5.198 2.662 526 HA THR 64 HA THR 64 10.426 2.921 4.378 527 HB THR 64 HB THR 64 12.343 1.996 3.293 528 HG1 THR 64 HG1 THR 64 13.726 1.794 5.011 529 1HG2 THR 64 2HG2 THR 64 13.061 4.286 2.403 530 2HG2 THR 64 1HG2 THR 64 13.910 4.497 3.934 531 3HG2 THR 64 3HG2 THR 64 14.360 3.181 2.851 532 H THR 65 H THR 65 10.694 3.339 6.611 533 HA THR 65 HA THR 65 11.726 6.060 7.298 534 HB THR 65 HB THR 65 9.369 4.770 8.681 535 HG1 THR 65 HG1 THR 65 8.224 6.411 7.339 536 1HG2 THR 65 1HG2 THR 65 10.953 6.929 9.336 537 2HG2 THR 65 3HG2 THR 65 9.605 7.690 8.492 538 3HG2 THR 65 2HG2 THR 65 9.302 6.675 9.902 539 H ALA 66 HN ALA 66 13.460 5.780 8.612 540 HA ALA 66 HA ALA 66 14.906 4.782 10.177 541 1HB ALA 66 3HB ALA 66 13.100 5.675 11.651 542 2HB ALA 66 2HB ALA 66 12.269 4.125 11.524 543 3HB ALA 66 1HB ALA 66 13.847 4.219 12.305 544 1H MET 1 1H MET 1 13.119 18.419 -12.440 545 2H MET 1 3H MET 1 13.510 19.740 -11.452 546 3H MET 1 2H MET 1 14.676 19.096 -12.507 547 HA MET 1 HA MET 1 15.313 17.565 -11.052 548 1HB MET 1 2HB MET 1 13.977 19.673 -9.603 549 2HB MET 1 1HB MET 1 13.768 18.143 -8.751 550 1HG MET 1 2HG MET 1 16.223 17.754 -8.905 551 2HG MET 1 1HG MET 1 16.402 19.335 -9.668 552 1HE MET 1 2HE MET 1 14.699 21.161 -8.680 553 2HE MET 1 1HE MET 1 15.008 21.760 -7.051 554 3HE MET 1 3HE MET 1 16.315 21.706 -8.241 555 H GLU 2 H GLU 2 11.798 17.905 -11.187 556 HA GLU 2 HA GLU 2 11.072 15.495 -9.877 557 1HB GLU 2 2HB GLU 2 9.794 17.120 -12.071 558 2HB GLU 2 1HB GLU 2 9.070 15.601 -11.540 559 1HG GLU 2 2HG GLU 2 9.736 17.945 -9.736 560 2HG GLU 2 1HG GLU 2 8.122 17.524 -10.305 561 H GLN 3 H GLN 3 12.585 13.859 -10.490 562 HA GLN 3 HA GLN 3 13.064 13.140 -13.246 563 1HB GLN 3 2HB GLN 3 14.120 12.413 -10.756 564 2HB GLN 3 1HB GLN 3 13.380 10.934 -11.372 565 1HG GLN 3 2HG GLN 3 14.888 10.735 -13.063 566 2HG GLN 3 1HG GLN 3 14.904 12.470 -13.379 567 1HE2 GLN 3 2HE2 GLN 3 17.751 10.835 -10.996 568 2HE2 GLN 3 1HE2 GLN 3 16.537 9.881 -11.703 569 NH1 ARG 4 NH1 ARG 4 5.085 11.731 -12.518 570 NH2 ARG 4 NH2 ARG 4 4.649 13.860 -11.896 571 H ARG 4 H ARG 4 11.196 12.673 -14.396 572 HA ARG 4 HA ARG 4 9.303 10.708 -13.200 573 1HB ARG 4 2HB ARG 4 9.027 12.562 -15.585 574 2HB ARG 4 1HB ARG 4 7.799 11.399 -15.085 575 1HG ARG 4 2HG ARG 4 8.793 13.824 -13.579 576 2HG ARG 4 1HG ARG 4 7.143 13.450 -14.075 577 1HD ARG 4 2HD ARG 4 7.549 11.298 -12.564 578 2HD ARG 4 1HD ARG 4 8.732 12.352 -11.792 579 HE ARG 4 HE ARG 4 6.944 13.583 -10.872 580 1HH1 ARG 4 2HH1 ARG 4 5.725 10.969 -12.611 581 2HH1 ARG 4 1HH1 ARG 4 4.133 11.622 -12.804 582 1HH2 ARG 4 1HH2 ARG 4 4.957 14.731 -11.514 583 2HH2 ARG 4 2HH2 ARG 4 3.698 13.747 -12.182 584 H ILE 5 H ILE 5 9.911 8.659 -13.684 585 HA ILE 5 HA ILE 5 10.502 8.031 -16.537 586 HB ILE 5 HB ILE 5 11.911 6.520 -14.363 587 1HG1 ILE 5 2HG1 ILE 5 12.323 8.905 -13.846 588 2HG1 ILE 5 1HG1 ILE 5 13.783 8.127 -14.459 589 1HG2 ILE 5 1HG2 ILE 5 12.367 7.206 -17.267 590 2HG2 ILE 5 3HG2 ILE 5 13.674 6.584 -16.261 591 3HG2 ILE 5 2HG2 ILE 5 12.226 5.613 -16.524 592 1HD1 ILE 5 1HD1 ILE 5 12.183 9.179 -16.638 593 2HD1 ILE 5 3HD1 ILE 5 12.570 10.447 -15.475 594 3HD1 ILE 5 2HD1 ILE 5 13.865 9.517 -16.230 595 H THR 6 H THR 6 9.578 6.081 -17.228 596 HA THR 6 HA THR 6 7.384 5.059 -15.661 597 HB THR 6 HB THR 6 8.656 3.669 -18.028 598 HG1 THR 6 HG1 THR 6 6.791 5.807 -18.003 599 1HG2 THR 6 1HG2 THR 6 5.923 3.740 -16.752 600 2HG2 THR 6 3HG2 THR 6 6.143 3.211 -18.419 601 3HG2 THR 6 2HG2 THR 6 6.934 2.339 -17.106 602 H LEU 7 H LEU 7 7.187 2.947 -14.724 603 HA LEU 7 HA LEU 7 9.385 2.049 -13.190 604 1HB LEU 7 2HB LEU 7 7.076 1.503 -12.591 605 2HB LEU 7 1HB LEU 7 6.899 0.544 -14.060 606 HG LEU 7 HG LEU 7 8.634 -1.002 -13.295 607 1HD1 LEU 7 3HD1 LEU 7 9.999 0.638 -12.052 608 2HD1 LEU 7 2HD1 LEU 7 8.734 0.762 -10.829 609 3HD1 LEU 7 1HD1 LEU 7 9.610 -0.753 -11.042 610 1HD2 LEU 7 1HD2 LEU 7 6.211 -1.237 -12.545 611 2HD2 LEU 7 3HD2 LEU 7 7.395 -2.054 -11.525 612 3HD2 LEU 7 2HD2 LEU 7 6.703 -0.514 -11.014 613 H LYS 8 H LYS 8 8.691 1.548 -16.507 614 HA LYS 8 HA LYS 8 10.245 -0.949 -16.678 615 1HB LYS 8 2HB LYS 8 9.598 -1.002 -18.970 616 2HB LYS 8 1HB LYS 8 8.187 -0.408 -18.096 617 1HG LYS 8 2HG LYS 8 8.817 1.913 -18.644 618 2HG LYS 8 1HG LYS 8 10.228 1.324 -19.524 619 1HD LYS 8 2HD LYS 8 7.959 -0.111 -20.484 620 2HD LYS 8 1HD LYS 8 7.540 1.603 -20.472 621 1HE LYS 8 2HE LYS 8 8.681 1.759 -22.415 622 2HE LYS 8 1HE LYS 8 10.144 1.578 -21.447 623 1HZ LYS 8 2HZ LYS 8 9.403 -0.957 -21.676 624 2HZ LYS 8 1HZ LYS 8 8.789 -0.354 -23.141 625 3HZ LYS 8 3HZ LYS 8 10.439 -0.191 -22.784 626 H ASP 9 H ASP 9 10.658 2.490 -17.310 627 HA ASP 9 HA ASP 9 13.206 2.101 -18.705 628 1HB ASP 9 2HB ASP 9 11.548 4.444 -17.859 629 2HB ASP 9 1HB ASP 9 13.261 4.708 -18.187 630 OH TYR 10 OH TYR 10 16.100 3.082 -8.301 631 H TYR 10 H TYR 10 12.128 2.828 -15.439 632 HA TYR 10 HA TYR 10 14.809 3.495 -14.485 633 1HB TYR 10 2HB TYR 10 12.910 4.489 -13.350 634 2HB TYR 10 1HB TYR 10 12.211 2.900 -13.040 635 HD1 TYR 10 HD1 TYR 10 15.659 4.342 -12.658 636 HD2 TYR 10 HD2 TYR 10 12.350 2.348 -10.781 637 HE1 TYR 10 HE1 TYR 10 16.953 4.179 -10.549 638 HE2 TYR 10 HE2 TYR 10 13.643 2.189 -8.671 639 HH TYR 10 HH TYR 10 16.057 2.172 -7.996 640 H ALA 11 H ALA 11 12.781 0.629 -14.663 641 HA ALA 11 HA ALA 11 14.564 -0.936 -12.934 642 1HB ALA 11 3HB ALA 11 12.265 -1.800 -14.714 643 2HB ALA 11 2HB ALA 11 13.086 -2.824 -13.537 644 3HB ALA 11 1HB ALA 11 12.152 -1.431 -12.994 645 H MET 12 H MET 12 14.154 -0.348 -16.377 646 HA MET 12 HA MET 12 15.957 -2.583 -17.063 647 1HB MET 12 2HB MET 12 15.504 -2.013 -19.365 648 2HB MET 12 1HB MET 12 13.973 -1.960 -18.491 649 1HG MET 12 2HG MET 12 14.401 0.538 -18.167 650 2HG MET 12 1HG MET 12 15.697 0.371 -19.351 651 1HE MET 12 1HE MET 12 15.459 -1.020 -21.293 652 2HE MET 12 3HE MET 12 14.086 -1.039 -22.408 653 3HE MET 12 2HE MET 12 15.031 0.432 -22.196 654 NH1 ARG 13 NH1 ARG 13 18.252 6.893 -20.445 655 NH2 ARG 13 NH2 ARG 13 17.503 5.890 -22.328 656 H ARG 13 H ARG 13 16.036 0.929 -16.801 657 HA ARG 13 HA ARG 13 18.741 1.052 -17.965 658 1HB ARG 13 2HB ARG 13 16.931 3.151 -16.740 659 2HB ARG 13 1HB ARG 13 18.549 3.497 -17.350 660 1HG ARG 13 2HG ARG 13 17.785 2.426 -19.550 661 2HG ARG 13 1HG ARG 13 16.147 2.524 -18.903 662 1HD ARG 13 2HD ARG 13 16.036 4.686 -19.510 663 2HD ARG 13 1HD ARG 13 17.409 5.047 -18.464 664 HE ARG 13 HE ARG 13 18.492 3.941 -20.810 665 1HH1 ARG 13 2HH1 ARG 13 18.548 6.834 -19.493 666 2HH1 ARG 13 1HH1 ARG 13 18.232 7.778 -20.909 667 1HH2 ARG 13 1HH2 ARG 13 17.225 5.062 -22.817 668 2HH2 ARG 13 2HH2 ARG 13 17.483 6.775 -22.792 669 H PHE 14 H PHE 14 17.254 0.845 -14.814 670 HA PHE 14 HA PHE 14 19.938 1.318 -13.577 671 1HB PHE 14 2HB PHE 14 17.229 1.451 -12.223 672 2HB PHE 14 1HB PHE 14 18.783 1.919 -11.532 673 HD1 PHE 14 HD1 PHE 14 16.704 2.621 -14.583 674 HD2 PHE 14 HD2 PHE 14 19.351 4.175 -11.578 675 HE1 PHE 14 HE1 PHE 14 16.450 4.896 -15.536 676 HE2 PHE 14 HE2 PHE 14 19.097 6.451 -12.531 677 HZ PHE 14 HZ PHE 14 17.646 6.812 -14.510 678 H GLY 15 H GLY 15 17.336 -0.952 -14.010 679 1HA GLY 15 2HA GLY 15 18.069 -3.351 -13.770 680 2HA GLY 15 1HA GLY 15 18.800 -2.868 -12.238 681 H GLN 16 H GLN 16 16.385 -4.665 -13.187 682 HA GLN 16 HA GLN 16 14.061 -3.535 -11.924 683 1HB GLN 16 2HB GLN 16 14.746 -6.450 -12.418 684 2HB GLN 16 1HB GLN 16 13.141 -5.813 -12.055 685 1HG GLN 16 2HG GLN 16 12.849 -4.977 -14.159 686 2HG GLN 16 1HG GLN 16 14.543 -4.509 -14.314 687 1HE2 GLN 16 2HE2 GLN 16 13.840 -7.442 -16.578 688 2HE2 GLN 16 1HE2 GLN 16 13.143 -5.903 -16.415 689 H THR 17 H THR 17 16.860 -5.233 -10.716 690 HA THR 17 HA THR 17 15.682 -6.033 -8.191 691 HB THR 17 HB THR 17 17.697 -7.148 -8.993 692 HG1 THR 17 HG1 THR 17 17.340 -6.584 -6.667 693 1HG2 THR 17 1HG2 THR 17 18.803 -4.344 -8.967 694 2HG2 THR 17 3HG2 THR 17 19.868 -5.748 -8.890 695 3HG2 THR 17 2HG2 THR 17 18.813 -5.517 -10.284 696 H LYS 18 H LYS 18 17.383 -3.165 -9.360 697 HA LYS 18 HA LYS 18 17.653 -1.939 -6.750 698 1HB LYS 18 2HB LYS 18 17.611 -0.626 -9.485 699 2HB LYS 18 1HB LYS 18 18.222 0.092 -7.994 700 1HG LYS 18 2HG LYS 18 19.854 -1.838 -7.845 701 2HG LYS 18 1HG LYS 18 19.343 -2.302 -9.469 702 1HD LYS 18 2HD LYS 18 19.920 0.061 -10.205 703 2HD LYS 18 1HD LYS 18 20.674 0.282 -8.626 704 1HE LYS 18 2HE LYS 18 21.411 -1.836 -10.666 705 2HE LYS 18 1HE LYS 18 22.358 -0.402 -10.274 706 1HZ LYS 18 3HZ LYS 18 22.214 -1.324 -7.882 707 2HZ LYS 18 2HZ LYS 18 21.861 -2.800 -8.644 708 3HZ LYS 18 1HZ LYS 18 23.327 -2.004 -8.966 709 H THR 19 H THR 19 15.329 -1.620 -9.416 710 HA THR 19 HA THR 19 13.721 0.399 -8.162 711 HB THR 19 HB THR 19 12.736 -1.700 -10.109 712 HG1 THR 19 HG1 THR 19 13.390 -0.013 -11.652 713 1HG2 THR 19 2HG2 THR 19 11.810 0.943 -9.110 714 2HG2 THR 19 1HG2 THR 19 11.574 0.618 -10.828 715 3HG2 THR 19 3HG2 THR 19 10.870 -0.459 -9.619 716 H ALA 20 H ALA 20 13.766 -3.122 -7.956 717 HA ALA 20 HA ALA 20 11.266 -3.236 -6.436 718 1HB ALA 20 2HB ALA 20 13.222 -5.155 -7.526 719 2HB ALA 20 1HB ALA 20 12.515 -5.638 -5.984 720 3HB ALA 20 3HB ALA 20 11.471 -5.301 -7.365 721 H LYS 21 H LYS 21 14.671 -2.913 -5.756 722 HA LYS 21 HA LYS 21 14.397 -3.627 -2.925 723 1HB LYS 21 2HB LYS 21 16.533 -4.029 -4.041 724 2HB LYS 21 1HB LYS 21 16.658 -2.322 -4.471 725 1HG LYS 21 2HG LYS 21 16.239 -2.907 -1.592 726 2HG LYS 21 1HG LYS 21 17.808 -3.369 -2.256 727 1HD LYS 21 2HD LYS 21 17.764 -0.973 -3.321 728 2HD LYS 21 1HD LYS 21 16.567 -0.638 -2.068 729 1HE LYS 21 2HE LYS 21 18.438 -1.881 -0.569 730 2HE LYS 21 1HE LYS 21 19.478 -1.179 -1.808 731 1HZ LYS 21 3HZ LYS 21 17.453 0.614 -0.822 732 2HZ LYS 21 2HZ LYS 21 18.566 0.127 0.365 733 3HZ LYS 21 1HZ LYS 21 19.112 0.877 -1.058 734 H ASP 22 H ASP 22 14.118 -0.781 -4.893 735 HA ASP 22 HA ASP 22 14.380 1.057 -2.611 736 1HB ASP 22 2HB ASP 22 13.897 1.339 -5.557 737 2HB ASP 22 1HB ASP 22 13.452 2.674 -4.492 738 H LEU 23 H LEU 23 11.822 -0.284 -4.657 739 HA LEU 23 HA LEU 23 9.757 1.159 -3.113 740 1HB LEU 23 2HB LEU 23 9.564 -0.777 -5.440 741 2HB LEU 23 1HB LEU 23 8.183 0.029 -4.695 742 HG LEU 23 HG LEU 23 10.444 1.777 -5.504 743 1HD1 LEU 23 1HD1 LEU 23 8.858 0.096 -7.401 744 2HD1 LEU 23 3HD1 LEU 23 9.164 1.774 -7.849 745 3HD1 LEU 23 2HD1 LEU 23 10.515 0.685 -7.539 746 1HD2 LEU 23 1HD2 LEU 23 7.590 1.913 -4.951 747 2HD2 LEU 23 3HD2 LEU 23 8.777 3.215 -4.999 748 3HD2 LEU 23 2HD2 LEU 23 7.981 2.695 -6.483 749 H GLY 24 H GLY 24 11.477 -1.734 -2.865 750 1HA GLY 24 2HA GLY 24 11.215 -3.297 -1.065 751 2HA GLY 24 1HA GLY 24 9.563 -2.721 -0.837 752 H VAL 25 H VAL 25 8.850 -2.920 -3.660 753 HA VAL 25 HA VAL 25 7.696 -5.443 -3.800 754 HB VAL 25 HB VAL 25 8.058 -5.081 -6.412 755 1HG1 VAL 25 3HG1 VAL 25 6.138 -4.342 -4.517 756 2HG1 VAL 25 2HG1 VAL 25 6.427 -2.871 -5.445 757 3HG1 VAL 25 1HG1 VAL 25 5.929 -4.350 -6.268 758 1HG2 VAL 25 2HG2 VAL 25 9.704 -3.088 -5.402 759 2HG2 VAL 25 1HG2 VAL 25 9.054 -3.143 -7.041 760 3HG2 VAL 25 3HG2 VAL 25 8.220 -2.218 -5.792 761 OH TYR 26 OH TYR 26 5.958 -9.247 -0.889 762 H TYR 26 H TYR 26 8.308 -7.305 -5.260 763 HA TYR 26 HA TYR 26 11.171 -7.956 -4.828 764 1HB TYR 26 2HB TYR 26 9.262 -9.929 -6.011 765 2HB TYR 26 1HB TYR 26 10.555 -10.183 -4.840 766 HD1 TYR 26 HD1 TYR 26 9.909 -8.076 -2.836 767 HD2 TYR 26 HD2 TYR 26 7.356 -10.824 -4.930 768 HE1 TYR 26 HE1 TYR 26 8.259 -7.950 -0.989 769 HE2 TYR 26 HE2 TYR 26 5.707 -10.698 -3.083 770 HH TYR 26 HH TYR 26 5.256 -8.649 -1.158 771 H GLN 27 H GLN 27 12.223 -9.240 -6.676 772 HA GLN 27 HA GLN 27 12.227 -7.625 -9.051 773 1HB GLN 27 2HB GLN 27 13.345 -10.401 -8.552 774 2HB GLN 27 1HB GLN 27 13.699 -9.419 -9.974 775 1HG GLN 27 2HG GLN 27 15.234 -8.216 -8.849 776 2HG GLN 27 1HG GLN 27 14.095 -7.888 -7.541 777 1HE2 GLN 27 2HE2 GLN 27 15.931 -9.998 -5.412 778 2HE2 GLN 27 1HE2 GLN 27 15.124 -8.521 -5.634 779 H SER 28 H SER 28 10.552 -10.581 -8.150 780 HA SER 28 HA SER 28 9.649 -11.159 -10.861 781 1HB SER 28 2HB SER 28 9.682 -12.537 -8.416 782 2HB SER 28 1HB SER 28 7.975 -12.286 -8.770 783 HG SER 28 HG SER 28 9.761 -13.162 -10.766 784 H ALA 29 H ALA 29 8.660 -9.040 -8.335 785 HA ALA 29 HA ALA 29 5.880 -8.833 -9.291 786 1HB ALA 29 3HB ALA 29 7.442 -7.218 -7.245 787 2HB ALA 29 2HB ALA 29 5.723 -7.013 -7.585 788 3HB ALA 29 1HB ALA 29 6.311 -8.526 -6.895 789 H ILE 30 H ILE 30 8.961 -7.253 -9.666 790 HA ILE 30 HA ILE 30 7.845 -4.899 -11.000 791 HB ILE 30 HB ILE 30 10.657 -5.962 -10.640 792 1HG1 ILE 30 2HG1 ILE 30 9.067 -3.660 -9.479 793 2HG1 ILE 30 1HG1 ILE 30 9.758 -5.033 -8.613 794 1HG2 ILE 30 1HG2 ILE 30 9.686 -4.188 -12.647 795 2HG2 ILE 30 3HG2 ILE 30 10.597 -3.229 -11.480 796 3HG2 ILE 30 2HG2 ILE 30 11.361 -4.603 -12.281 797 1HD1 ILE 30 2HD1 ILE 30 11.402 -2.988 -10.127 798 2HD1 ILE 30 1HD1 ILE 30 11.106 -2.922 -8.391 799 3HD1 ILE 30 3HD1 ILE 30 12.011 -4.269 -9.081 800 H ASN 31 H ASN 31 9.069 -8.059 -11.872 801 HA ASN 31 HA ASN 31 9.348 -7.453 -14.710 802 1HB ASN 31 2HB ASN 31 10.667 -9.269 -13.801 803 2HB ASN 31 1HB ASN 31 9.222 -10.069 -13.182 804 1HD2 ASN 31 2HD2 ASN 31 9.209 -11.948 -16.178 805 2HD2 ASN 31 1HD2 ASN 31 9.350 -11.979 -14.487 806 H LYS 32 H LYS 32 6.885 -9.008 -12.654 807 HA LYS 32 HA LYS 32 5.129 -9.612 -14.876 808 1HB LYS 32 2HB LYS 32 3.474 -10.145 -13.182 809 2HB LYS 32 1HB LYS 32 5.035 -10.781 -12.661 810 1HG LYS 32 2HG LYS 32 5.353 -9.035 -11.101 811 2HG LYS 32 1HG LYS 32 4.094 -8.041 -11.831 812 1HD LYS 32 2HD LYS 32 2.667 -10.275 -11.202 813 2HD LYS 32 1HD LYS 32 3.849 -10.262 -9.893 814 1HE LYS 32 2HE LYS 32 3.109 -8.219 -9.061 815 2HE LYS 32 1HE LYS 32 2.458 -7.705 -10.618 816 1HZ LYS 32 2HZ LYS 32 1.279 -10.065 -9.356 817 2HZ LYS 32 1HZ LYS 32 0.908 -8.548 -8.688 818 3HZ LYS 32 3HZ LYS 32 0.548 -8.868 -10.315 819 H ALA 33 H ALA 33 5.638 -6.852 -12.778 820 HA ALA 33 HA ALA 33 3.183 -5.481 -13.425 821 1HB ALA 33 3HB ALA 33 5.837 -4.654 -12.274 822 2HB ALA 33 2HB ALA 33 4.661 -3.426 -12.741 823 3HB ALA 33 1HB ALA 33 4.244 -4.624 -11.517 824 H ILE 34 H ILE 34 6.440 -5.494 -14.809 825 HA ILE 34 HA ILE 34 5.822 -3.464 -16.806 826 HB ILE 34 HB ILE 34 8.073 -5.485 -16.585 827 1HG1 ILE 34 2HG1 ILE 34 8.139 -3.788 -14.840 828 2HG1 ILE 34 1HG1 ILE 34 9.386 -3.416 -16.031 829 1HG2 ILE 34 3HG2 ILE 34 7.706 -3.166 -18.505 830 2HG2 ILE 34 2HG2 ILE 34 9.172 -4.133 -18.346 831 3HG2 ILE 34 1HG2 ILE 34 7.686 -4.877 -18.933 832 1HD1 ILE 34 1HD1 ILE 34 7.583 -1.937 -17.156 833 2HD1 ILE 34 3HD1 ILE 34 6.719 -2.070 -15.624 834 3HD1 ILE 34 2HD1 ILE 34 8.322 -1.340 -15.671 835 H HIS 35 H HIS 35 5.638 -6.949 -16.573 836 HA HIS 35 HA HIS 35 5.306 -7.436 -19.407 837 1HB HIS 35 2HB HIS 35 4.866 -9.028 -16.892 838 2HB HIS 35 1HB HIS 35 4.264 -9.639 -18.434 839 HD1 HIS 35 HD1 HIS 35 6.339 -11.410 -17.457 840 HD2 HIS 35 HD2 HIS 35 7.387 -7.878 -19.411 841 HE1 HIS 35 HE1 HIS 35 8.717 -11.719 -18.273 842 H ALA 36 H ALA 36 3.270 -6.161 -16.975 843 HA ALA 36 HA ALA 36 0.779 -7.016 -18.312 844 1HB ALA 36 2HB ALA 36 0.885 -6.888 -15.834 845 2HB ALA 36 1HB ALA 36 1.194 -5.156 -15.953 846 3HB ALA 36 3HB ALA 36 -0.349 -5.816 -16.496 847 H GLY 37 H GLY 37 3.025 -4.459 -18.536 848 1HA GLY 37 2HA GLY 37 2.989 -2.473 -19.790 849 2HA GLY 37 1HA GLY 37 1.600 -3.154 -20.640 850 NH1 ARG 38 NH1 ARG 38 -1.706 -2.574 -10.711 851 NH2 ARG 38 NH2 ARG 38 -3.905 -2.167 -11.034 852 H ARG 38 H ARG 38 1.187 -3.020 -17.263 853 HA ARG 38 HA ARG 38 -1.069 -1.302 -17.381 854 1HB ARG 38 2HB ARG 38 -0.083 -2.920 -15.480 855 2HB ARG 38 1HB ARG 38 0.525 -1.384 -14.862 856 1HG ARG 38 2HG ARG 38 -1.947 -0.576 -15.358 857 2HG ARG 38 1HG ARG 38 -2.306 -2.297 -15.214 858 1HD ARG 38 2HD ARG 38 -0.554 -1.638 -13.077 859 2HD ARG 38 1HD ARG 38 -1.806 -0.397 -13.117 860 HE ARG 38 HE ARG 38 -3.014 -2.984 -13.380 861 1HH1 ARG 38 2HH1 ARG 38 -0.790 -2.729 -11.081 862 2HH1 ARG 38 1HH1 ARG 38 -1.853 -2.582 -9.722 863 1HH2 ARG 38 1HH2 ARG 38 -4.673 -2.008 -11.653 864 2HH2 ARG 38 2HH2 ARG 38 -4.053 -2.173 -10.045 865 H LYS 39 H LYS 39 -1.270 0.890 -16.432 866 HA LYS 39 HA LYS 39 0.932 2.611 -17.329 867 1HB LYS 39 2HB LYS 39 -1.906 2.947 -16.600 868 2HB LYS 39 1HB LYS 39 -0.870 4.280 -16.088 869 1HG LYS 39 2HG LYS 39 -1.637 4.789 -18.315 870 2HG LYS 39 1HG LYS 39 0.063 4.336 -18.438 871 1HD LYS 39 2HD LYS 39 -1.628 1.990 -18.613 872 2HD LYS 39 1HD LYS 39 -2.091 3.182 -19.830 873 1HE LYS 39 2HE LYS 39 0.449 3.373 -20.310 874 2HE LYS 39 1HE LYS 39 0.586 1.853 -19.428 875 1HZ LYS 39 3HZ LYS 39 -1.421 2.111 -21.558 876 2HZ LYS 39 2HZ LYS 39 0.203 1.840 -21.976 877 3HZ LYS 39 1HZ LYS 39 -0.623 0.725 -20.996 878 H ILE 40 H ILE 40 2.425 1.672 -15.708 879 HA ILE 40 HA ILE 40 2.007 2.823 -12.984 880 HB ILE 40 HB ILE 40 3.927 0.645 -13.876 881 1HG1 ILE 40 2HG1 ILE 40 1.333 0.488 -12.304 882 2HG1 ILE 40 1HG1 ILE 40 1.536 -0.025 -13.980 883 1HG2 ILE 40 3HG2 ILE 40 3.927 2.308 -11.590 884 2HG2 ILE 40 2HG2 ILE 40 3.307 0.746 -11.056 885 3HG2 ILE 40 1HG2 ILE 40 4.880 0.847 -11.845 886 1HD1 ILE 40 3HD1 ILE 40 3.523 -1.156 -12.119 887 2HD1 ILE 40 2HD1 ILE 40 1.863 -1.669 -11.812 888 3HD1 ILE 40 1HD1 ILE 40 2.593 -1.947 -13.393 889 H PHE 41 H PHE 41 2.771 4.898 -13.307 890 HA PHE 41 HA PHE 41 5.345 5.332 -14.662 891 1HB PHE 41 2HB PHE 41 3.752 7.409 -13.162 892 2HB PHE 41 1HB PHE 41 4.806 7.630 -14.560 893 HD1 PHE 41 HD1 PHE 41 4.077 6.985 -16.814 894 HD2 PHE 41 HD2 PHE 41 1.473 6.524 -13.425 895 HE1 PHE 41 HE1 PHE 41 2.152 6.659 -18.337 896 HE2 PHE 41 HE2 PHE 41 -0.451 6.200 -14.954 897 HZ PHE 41 HZ PHE 41 -0.113 6.268 -17.408 898 H LEU 42 H LEU 42 7.124 6.494 -13.535 899 HA LEU 42 HA LEU 42 7.147 5.871 -10.606 900 1HB LEU 42 2HB LEU 42 8.838 4.891 -12.668 901 2HB LEU 42 1HB LEU 42 9.802 6.001 -11.694 902 HG LEU 42 HG LEU 42 9.134 4.805 -9.650 903 1HD1 LEU 42 1HD1 LEU 42 6.910 4.046 -10.763 904 2HD1 LEU 42 3HD1 LEU 42 7.862 2.707 -11.402 905 3HD1 LEU 42 2HD1 LEU 42 7.708 2.926 -9.660 906 1HD2 LEU 42 3HD2 LEU 42 10.212 3.048 -11.874 907 2HD2 LEU 42 2HD2 LEU 42 11.157 4.054 -10.779 908 3HD2 LEU 42 1HD2 LEU 42 10.297 2.644 -10.161 909 H THR 43 H THR 43 6.863 7.871 -9.684 910 HA THR 43 HA THR 43 8.252 10.215 -10.827 911 HB THR 43 HB THR 43 6.455 9.981 -8.390 912 HG1 THR 43 HG1 THR 43 5.537 9.561 -10.520 913 1HG2 THR 43 3HG2 THR 43 8.083 12.139 -9.517 914 2HG2 THR 43 2HG2 THR 43 6.386 12.582 -9.329 915 3HG2 THR 43 1HG2 THR 43 7.312 12.023 -7.935 916 H ILE 44 H ILE 44 10.424 9.472 -10.389 917 HA ILE 44 HA ILE 44 11.188 9.063 -7.573 918 HB ILE 44 HB ILE 44 13.290 9.337 -9.654 919 1HG1 ILE 44 2HG1 ILE 44 12.545 6.745 -10.074 920 2HG1 ILE 44 1HG1 ILE 44 10.967 7.518 -9.919 921 1HG2 ILE 44 3HG2 ILE 44 12.659 7.665 -7.254 922 2HG2 ILE 44 2HG2 ILE 44 13.763 7.008 -8.463 923 3HG2 ILE 44 1HG2 ILE 44 14.141 8.531 -7.657 924 1HD1 ILE 44 1HD1 ILE 44 12.857 9.048 -11.565 925 2HD1 ILE 44 3HD1 ILE 44 12.478 7.458 -12.227 926 3HD1 ILE 44 2HD1 ILE 44 11.182 8.607 -11.896 927 H ASN 45 H ASN 45 11.735 10.753 -6.296 928 HA ASN 45 HA ASN 45 12.248 13.380 -7.520 929 1HB ASN 45 2HB ASN 45 11.367 12.390 -4.923 930 2HB ASN 45 1HB ASN 45 12.623 13.618 -4.768 931 1HD2 ASN 45 2HD2 ASN 45 10.615 16.184 -6.341 932 2HD2 ASN 45 1HD2 ASN 45 12.222 15.654 -6.205 933 H ALA 46 H ALA 46 14.176 14.568 -7.151 934 HA ALA 46 HA ALA 46 16.613 13.319 -7.533 935 1HB ALA 46 1HB ALA 46 16.014 15.850 -7.481 936 2HB ALA 46 3HB ALA 46 16.466 15.761 -5.779 937 3HB ALA 46 2HB ALA 46 17.649 15.366 -7.027 938 H ASP 47 H ASP 47 14.837 13.492 -4.543 939 HA ASP 47 HA ASP 47 17.171 12.771 -2.910 940 1HB ASP 47 2HB ASP 47 14.891 14.091 -2.298 941 2HB ASP 47 1HB ASP 47 14.423 12.457 -1.823 942 H GLY 48 H GLY 48 16.447 10.960 -5.100 943 1HA GLY 48 2HA GLY 48 16.090 8.673 -5.484 944 2HA GLY 48 1HA GLY 48 16.772 8.462 -3.870 945 H SER 49 H SER 49 13.825 10.278 -4.508 946 HA SER 49 HA SER 49 12.379 8.427 -2.704 947 1HB SER 49 2HB SER 49 10.876 10.647 -3.925 948 2HB SER 49 1HB SER 49 11.034 10.195 -2.229 949 HG SER 49 HG SER 49 12.164 12.032 -2.345 950 H VAL 50 H VAL 50 11.987 6.577 -3.979 951 HA VAL 50 HA VAL 50 10.887 6.849 -6.673 952 HB VAL 50 HB VAL 50 11.188 4.436 -4.858 953 1HG1 VAL 50 1HG1 VAL 50 9.349 4.258 -6.579 954 2HG1 VAL 50 3HG1 VAL 50 10.569 4.522 -7.824 955 3HG1 VAL 50 2HG1 VAL 50 10.653 3.092 -6.798 956 1HG2 VAL 50 1HG2 VAL 50 13.220 5.765 -5.881 957 2HG2 VAL 50 3HG2 VAL 50 13.191 4.004 -5.984 958 3HG2 VAL 50 2HG2 VAL 50 12.731 4.978 -7.382 959 OH TYR 51 OH TYR 51 1.097 8.729 -4.017 960 H TYR 51 H TYR 51 8.848 7.666 -6.801 961 HA TYR 51 HA TYR 51 6.782 6.485 -4.987 962 1HB TYR 51 2HB TYR 51 7.201 8.916 -4.594 963 2HB TYR 51 1HB TYR 51 6.776 9.233 -6.275 964 HD1 TYR 51 HD2 TYR 51 5.175 6.697 -4.078 965 HD2 TYR 51 HD1 TYR 51 4.801 10.544 -5.955 966 HE1 TYR 51 HE2 TYR 51 2.775 6.765 -3.461 967 HE2 TYR 51 HE1 TYR 51 2.401 10.611 -5.338 968 HH TYR 51 HH TYR 51 0.616 9.139 -4.739 969 H ALA 52 H ALA 52 6.391 4.797 -6.543 970 HA ALA 52 HA ALA 52 5.675 5.473 -9.290 971 1HB ALA 52 1HB ALA 52 6.617 3.217 -8.173 972 2HB ALA 52 3HB ALA 52 4.893 2.851 -8.108 973 3HB ALA 52 2HB ALA 52 5.661 3.201 -9.656 974 H GLU 53 H GLU 53 3.588 5.540 -10.161 975 HA GLU 53 HA GLU 53 1.307 5.160 -8.289 976 1HB GLU 53 2HB GLU 53 1.693 7.608 -10.038 977 2HB GLU 53 1HB GLU 53 0.313 7.288 -8.988 978 1HG GLU 53 2HG GLU 53 2.002 7.130 -7.067 979 2HG GLU 53 1HG GLU 53 3.175 7.834 -8.182 980 H GLU 54 H GLU 54 -0.726 4.859 -9.407 981 HA GLU 54 HA GLU 54 -0.347 3.847 -12.193 982 1HB GLU 54 2HB GLU 54 -1.150 2.257 -10.356 983 2HB GLU 54 1HB GLU 54 -2.636 3.205 -10.315 984 1HG GLU 54 2HG GLU 54 -2.988 2.761 -12.718 985 2HG GLU 54 1HG GLU 54 -1.508 1.801 -12.754 986 H VAL 55 H VAL 55 -1.377 4.985 -13.793 987 HA VAL 55 HA VAL 55 -3.810 6.514 -13.113 988 HB VAL 55 HB VAL 55 -2.062 8.193 -14.715 989 1HG1 VAL 55 3HG1 VAL 55 -4.176 8.474 -12.996 990 2HG1 VAL 55 2HG1 VAL 55 -2.834 8.997 -11.978 991 3HG1 VAL 55 1HG1 VAL 55 -3.141 9.804 -13.516 992 1HG2 VAL 55 1HG2 VAL 55 -0.371 6.915 -13.233 993 2HG2 VAL 55 3HG2 VAL 55 -0.326 8.677 -13.169 994 3HG2 VAL 55 2HG2 VAL 55 -1.109 7.767 -11.877 995 H LYS 56 H LYS 56 -5.013 5.310 -14.547 996 HA LYS 56 HA LYS 56 -4.370 5.737 -17.418 997 1HB LYS 56 2HB LYS 56 -3.605 3.524 -17.190 998 2HB LYS 56 1HB LYS 56 -4.860 3.112 -16.023 999 1HG LYS 56 2HG LYS 56 -6.293 2.494 -17.657 1000 2HG LYS 56 1HG LYS 56 -5.992 3.973 -18.570 1001 1HD LYS 56 2HD LYS 56 -4.948 2.631 -20.067 1002 2HD LYS 56 1HD LYS 56 -3.629 2.581 -18.894 1003 1HE LYS 56 2HE LYS 56 -4.351 0.518 -17.995 1004 2HE LYS 56 1HE LYS 56 -5.959 0.674 -18.702 1005 1HZ LYS 56 2HZ LYS 56 -4.442 0.758 -20.884 1006 2HZ LYS 56 1HZ LYS 56 -3.486 -0.249 -19.904 1007 3HZ LYS 56 3HZ LYS 56 -5.090 -0.680 -20.251 1008 HA PRO 57 HA PRO 57 -8.637 6.915 -17.220 1009 1HB PRO 57 2HB PRO 57 -8.927 7.432 -19.905 1010 2HB PRO 57 1HB PRO 57 -8.135 8.536 -18.768 1011 1HG PRO 57 2HG PRO 57 -6.904 6.760 -20.825 1012 2HG PRO 57 1HG PRO 57 -6.295 8.276 -20.142 1013 1HD PRO 57 2HD PRO 57 -5.432 5.681 -19.428 1014 2HD PRO 57 1HD PRO 57 -5.100 7.175 -18.526 1015 H PHE 58 H PHE 58 -10.733 6.243 -18.272 1016 HA PHE 58 HA PHE 58 -10.623 3.603 -19.632 1017 1HB PHE 58 2HB PHE 58 -10.858 3.317 -17.115 1018 2HB PHE 58 1HB PHE 58 -12.418 4.126 -17.254 1019 HD1 PHE 58 HD1 PHE 58 -10.459 1.174 -18.380 1020 HD2 PHE 58 HD2 PHE 58 -14.342 2.984 -18.072 1021 HE1 PHE 58 HE1 PHE 58 -11.510 -0.969 -19.052 1022 HE2 PHE 58 HE2 PHE 58 -15.394 0.842 -18.744 1023 HZ PHE 58 HZ PHE 58 -13.979 -1.136 -19.235 1024 HA PRO 59 HA PRO 59 -11.839 2.270 -20.453 1025 1HB PRO 59 2HB PRO 59 -12.601 1.797 -23.050 1026 2HB PRO 59 1HB PRO 59 -13.645 1.487 -21.653 1027 1HG PRO 59 2HG PRO 59 -13.800 3.683 -23.653 1028 2HG PRO 59 1HG PRO 59 -15.080 2.992 -22.646 1029 1HD PRO 59 2HD PRO 59 -13.719 5.441 -22.186 1030 2HD PRO 59 1HD PRO 59 -14.801 4.606 -21.051 1031 H SER 60 H SER 60 -10.277 1.372 -22.246 1032 HA SER 60 HA SER 60 -8.152 3.242 -22.615 1033 1HB SER 60 2HB SER 60 -7.995 0.694 -22.596 1034 2HB SER 60 1HB SER 60 -8.573 0.737 -24.259 1035 HG SER 60 HG SER 60 -6.199 1.810 -23.159 1036 H ASN 61 H ASN 61 -7.248 3.220 -25.145 1037 HA ASN 61 HA ASN 61 -9.286 4.829 -26.563 1038 1HB ASN 61 2HB ASN 61 -7.422 5.502 -28.019 1039 2HB ASN 61 1HB ASN 61 -6.977 5.712 -26.325 1040 1HD2 ASN 61 2HD2 ASN 61 -4.395 3.294 -26.427 1041 2HD2 ASN 61 1HD2 ASN 61 -5.297 4.359 -25.462 1042 H LYS 62 H LYS 62 -9.694 4.429 -28.875 1043 HA LYS 62 HA LYS 62 -10.549 1.886 -29.538 1044 1HB LYS 62 2HB LYS 62 -10.102 4.326 -30.951 1045 2HB LYS 62 1HB LYS 62 -9.448 3.012 -31.930 1046 1HG LYS 62 2HG LYS 62 -11.676 1.791 -31.379 1047 2HG LYS 62 1HG LYS 62 -12.266 3.395 -30.941 1048 1HD LYS 62 2HD LYS 62 -12.360 4.080 -33.103 1049 2HD LYS 62 1HD LYS 62 -10.820 3.318 -33.504 1050 1HE LYS 62 2HE LYS 62 -12.382 1.120 -33.103 1051 2HE LYS 62 1HE LYS 62 -13.570 2.255 -33.746 1052 1HZ LYS 62 3HZ LYS 62 -11.605 2.707 -35.427 1053 2HZ LYS 62 2HZ LYS 62 -11.210 1.104 -35.023 1054 3HZ LYS 62 1HZ LYS 62 -12.733 1.466 -35.681 1055 H LYS 63 H LYS 63 -9.501 -0.028 -29.760 1056 HA LYS 63 HA LYS 63 -6.723 -0.004 -30.841 1057 1HB LYS 63 2HB LYS 63 -6.722 -0.150 -28.312 1058 2HB LYS 63 1HB LYS 63 -7.570 -1.689 -28.470 1059 1HG LYS 63 2HG LYS 63 -5.712 -2.554 -29.864 1060 2HG LYS 63 1HG LYS 63 -4.857 -1.026 -29.651 1061 1HD LYS 63 2HD LYS 63 -4.104 -2.813 -28.061 1062 2HD LYS 63 1HD LYS 63 -4.723 -1.373 -27.252 1063 1HE LYS 63 2HE LYS 63 -6.551 -2.462 -26.426 1064 2HE LYS 63 1HE LYS 63 -6.743 -3.448 -27.876 1065 1HZ LYS 63 1HZ LYS 63 -4.488 -4.451 -26.975 1066 2HZ LYS 63 3HZ LYS 63 -5.132 -3.938 -25.493 1067 3HZ LYS 63 2HZ LYS 63 -6.000 -5.030 -26.462 1068 H THR 64 H THR 64 -6.876 -1.201 -32.675 1069 HA THR 64 HA THR 64 -8.432 -3.751 -32.538 1070 HB THR 64 HB THR 64 -9.773 -2.330 -33.904 1071 HG1 THR 64 HG1 THR 64 -9.744 -4.012 -35.164 1072 1HG2 THR 64 3HG2 THR 64 -7.191 -1.516 -35.266 1073 2HG2 THR 64 2HG2 THR 64 -8.803 -0.990 -35.753 1074 3HG2 THR 64 1HG2 THR 64 -8.156 -0.513 -34.183 1075 H THR 65 H THR 65 -6.044 -4.317 -31.934 1076 HA THR 65 HA THR 65 -4.575 -4.907 -34.473 1077 HB THR 65 HB THR 65 -2.648 -5.020 -32.522 1078 HG1 THR 65 HG1 THR 65 -4.231 -2.751 -31.956 1079 1HG2 THR 65 1HG2 THR 65 -3.480 -3.180 -34.644 1080 2HG2 THR 65 3HG2 THR 65 -2.536 -2.393 -33.380 1081 3HG2 THR 65 2HG2 THR 65 -1.869 -3.778 -34.243 1082 H ALA 66 HN ALA 66 -5.579 -6.994 -34.622 1083 HA ALA 66 HA ALA 66 -5.683 -9.304 -34.225 1084 1HB ALA 66 1HB ALA 66 -3.106 -8.419 -33.189 1085 2HB ALA 66 3HB ALA 66 -3.729 -9.804 -32.293 1086 3HB ALA 66 2HB ALA 66 -3.515 -9.909 -34.039 Start of MODEL 18 Raw file had 1086 H/Q atoms Start of MODEL 18 1 1H MET 1 3H MET 1 -11.488 19.901 -9.234 2 2H MET 1 2H MET 1 -12.769 20.921 -8.781 3 3H MET 1 1H MET 1 -12.704 19.325 -8.202 4 HA MET 1 HA MET 1 -14.337 19.446 -9.937 5 1HB MET 1 2HB MET 1 -13.345 19.971 -12.284 6 2HB MET 1 1HB MET 1 -13.704 21.326 -11.212 7 1HG MET 1 2HG MET 1 -11.399 21.529 -10.564 8 2HG MET 1 1HG MET 1 -10.981 20.013 -11.361 9 1HE MET 1 1HE MET 1 -11.401 23.390 -11.172 10 2HE MET 1 3HE MET 1 -10.132 23.784 -12.337 11 3HE MET 1 2HE MET 1 -11.819 24.112 -12.723 12 H GLU 2 H GLU 2 -13.546 17.264 -8.955 13 HA GLU 2 HA GLU 2 -12.332 15.689 -11.184 14 1HB GLU 2 2HB GLU 2 -11.734 15.420 -8.222 15 2HB GLU 2 1HB GLU 2 -11.191 14.287 -9.460 16 1HG GLU 2 2HG GLU 2 -10.411 16.712 -10.511 17 2HG GLU 2 1HG GLU 2 -10.155 16.953 -8.783 18 H GLN 3 H GLN 3 -14.224 14.704 -11.865 19 HA GLN 3 HA GLN 3 -16.098 13.586 -9.881 20 1HB GLN 3 2HB GLN 3 -16.104 14.092 -12.812 21 2HB GLN 3 1HB GLN 3 -17.062 12.720 -12.254 22 1HG GLN 3 2HG GLN 3 -18.272 14.149 -10.690 23 2HG GLN 3 1HG GLN 3 -17.260 15.527 -11.122 24 1HE2 GLN 3 2HE2 GLN 3 -18.832 15.962 -14.343 25 2HE2 GLN 3 1HE2 GLN 3 -17.339 16.132 -13.553 26 NH1 ARG 4 NH2 ARG 4 -12.046 13.726 -13.160 27 NH2 ARG 4 NH1 ARG 4 -9.798 13.845 -12.952 28 H ARG 4 H ARG 4 -14.357 12.070 -9.062 29 HA ARG 4 HA ARG 4 -13.991 9.731 -10.884 30 1HB ARG 4 2HB ARG 4 -12.496 9.991 -8.305 31 2HB ARG 4 1HB ARG 4 -11.977 9.281 -9.832 32 1HG ARG 4 2HG ARG 4 -12.143 12.202 -9.091 33 2HG ARG 4 1HG ARG 4 -10.748 11.300 -9.679 34 1HD ARG 4 2HD ARG 4 -12.642 10.954 -11.687 35 2HD ARG 4 1HD ARG 4 -12.862 12.631 -11.192 36 HE ARG 4 HE ARG 4 -10.136 11.621 -11.869 37 1HH1 ARG 4 1HH2 ARG 4 -12.912 13.270 -12.955 38 2HH1 ARG 4 2HH2 ARG 4 -12.037 14.549 -13.727 39 1HH2 ARG 4 2HH1 ARG 4 -8.941 13.479 -12.589 40 2HH2 ARG 4 1HH1 ARG 4 -9.789 14.667 -13.522 41 H ILE 5 H ILE 5 -15.629 8.318 -10.524 42 HA ILE 5 HA ILE 5 -16.262 7.633 -7.682 43 HB ILE 5 HB ILE 5 -18.315 7.169 -9.795 44 1HG1 ILE 5 2HG1 ILE 5 -17.476 9.463 -10.285 45 2HG1 ILE 5 1HG1 ILE 5 -19.125 9.481 -9.656 46 1HG2 ILE 5 2HG2 ILE 5 -18.147 7.078 -6.993 47 2HG2 ILE 5 1HG2 ILE 5 -19.130 8.499 -7.349 48 3HG2 ILE 5 3HG2 ILE 5 -19.608 6.918 -7.969 49 1HD1 ILE 5 2HD1 ILE 5 -16.890 9.670 -7.687 50 2HD1 ILE 5 1HD1 ILE 5 -17.242 11.093 -8.666 51 3HD1 ILE 5 3HD1 ILE 5 -18.494 10.400 -7.636 52 H THR 6 H THR 6 -15.837 5.523 -7.220 53 HA THR 6 HA THR 6 -14.688 3.686 -8.997 54 HB THR 6 HB THR 6 -16.504 2.712 -6.806 55 HG1 THR 6 HG1 THR 6 -14.324 4.425 -6.610 56 1HG2 THR 6 2HG2 THR 6 -14.134 1.802 -8.288 57 2HG2 THR 6 1HG2 THR 6 -14.016 1.567 -6.544 58 3HG2 THR 6 3HG2 THR 6 -15.360 0.860 -7.439 59 H LEU 7 H LEU 7 -15.558 1.932 -10.232 60 HA LEU 7 HA LEU 7 -17.952 2.431 -11.651 61 1HB LEU 7 2HB LEU 7 -16.512 0.976 -12.760 62 2HB LEU 7 1HB LEU 7 -16.156 0.051 -11.304 63 HG LEU 7 HG LEU 7 -18.395 -0.952 -11.364 64 1HD1 LEU 7 1HD1 LEU 7 -19.048 1.286 -12.882 65 2HD1 LEU 7 3HD1 LEU 7 -19.100 -0.036 -14.048 66 3HD1 LEU 7 2HD1 LEU 7 -20.093 -0.104 -12.591 67 1HD2 LEU 7 2HD2 LEU 7 -16.472 -1.913 -12.716 68 2HD2 LEU 7 1HD2 LEU 7 -18.076 -2.361 -13.294 69 3HD2 LEU 7 3HD2 LEU 7 -17.157 -1.108 -14.126 70 H LYS 8 H LYS 8 -17.517 1.148 -8.495 71 HA LYS 8 HA LYS 8 -20.067 -0.317 -8.499 72 1HB LYS 8 2HB LYS 8 -19.494 -1.029 -6.324 73 2HB LYS 8 1HB LYS 8 -17.942 -0.927 -7.153 74 1HG LYS 8 2HG LYS 8 -17.313 0.337 -5.374 75 2HG LYS 8 1HG LYS 8 -18.211 1.625 -6.178 76 1HD LYS 8 2HD LYS 8 -19.736 1.665 -4.521 77 2HD LYS 8 1HD LYS 8 -20.028 -0.066 -4.700 78 1HE LYS 8 2HE LYS 8 -17.848 -0.407 -3.386 79 2HE LYS 8 1HE LYS 8 -17.958 1.305 -2.977 80 1HZ LYS 8 1HZ LYS 8 -20.232 -0.531 -2.550 81 2HZ LYS 8 3HZ LYS 8 -19.010 -0.360 -1.388 82 3HZ LYS 8 2HZ LYS 8 -19.944 0.985 -1.838 83 H ASP 9 H ASP 9 -18.833 2.811 -7.486 84 HA ASP 9 HA ASP 9 -21.320 3.470 -6.049 85 1HB ASP 9 2HB ASP 9 -18.705 4.860 -6.555 86 2HB ASP 9 1HB ASP 9 -20.100 5.797 -6.020 87 OH TYR 10 OH TYR 10 -22.688 7.075 -16.191 88 H TYR 10 H TYR 10 -19.905 3.939 -9.197 89 HA TYR 10 HA TYR 10 -21.763 6.069 -9.975 90 1HB TYR 10 2HB TYR 10 -19.572 6.052 -11.009 91 2HB TYR 10 1HB TYR 10 -19.772 4.377 -11.521 92 HD1 TYR 10 HD1 TYR 10 -21.826 3.878 -13.061 93 HD2 TYR 10 HD2 TYR 10 -20.152 7.786 -12.472 94 HE1 TYR 10 HE1 TYR 10 -22.875 4.643 -15.173 95 HE2 TYR 10 HE2 TYR 10 -21.201 8.553 -14.585 96 HH TYR 10 HH TYR 10 -21.986 7.249 -16.824 97 H ALA 11 H ALA 11 -21.556 2.576 -10.175 98 HA ALA 11 HA ALA 11 -23.833 2.398 -12.037 99 1HB ALA 11 1HB ALA 11 -21.694 0.724 -11.392 100 2HB ALA 11 3HB ALA 11 -23.094 -0.075 -10.679 101 3HB ALA 11 2HB ALA 11 -23.076 0.303 -12.401 102 H MET 12 H MET 12 -23.191 2.095 -8.579 103 HA MET 12 HA MET 12 -25.895 1.055 -8.056 104 1HB MET 12 2HB MET 12 -23.618 1.876 -6.237 105 2HB MET 12 1HB MET 12 -25.172 1.288 -5.645 106 1HG MET 12 2HG MET 12 -24.509 -0.604 -7.541 107 2HG MET 12 1HG MET 12 -22.942 -0.207 -6.837 108 1HE MET 12 2HE MET 12 -22.046 -1.192 -4.878 109 2HE MET 12 1HE MET 12 -22.798 0.199 -4.102 110 3HE MET 12 3HE MET 12 -22.917 -1.403 -3.360 111 NH1 ARG 13 NH1 ARG 13 -22.507 9.290 -4.124 112 NH2 ARG 13 NH2 ARG 13 -20.614 8.309 -3.375 113 H ARG 13 H ARG 13 -24.194 4.136 -7.931 114 HA ARG 13 HA ARG 13 -26.451 5.435 -6.549 115 1HB ARG 13 2HB ARG 13 -23.871 6.530 -7.697 116 2HB ARG 13 1HB ARG 13 -25.078 7.514 -6.870 117 1HG ARG 13 2HG ARG 13 -24.647 6.560 -4.803 118 2HG ARG 13 1HG ARG 13 -24.082 5.043 -5.505 119 1HD ARG 13 2HD ARG 13 -21.945 5.806 -5.769 120 2HD ARG 13 1HD ARG 13 -22.470 7.442 -6.167 121 HE ARG 13 HE ARG 13 -22.538 6.435 -3.352 122 1HH1 ARG 13 2HH1 ARG 13 -23.430 9.216 -4.500 123 2HH1 ARG 13 1HH1 ARG 13 -22.111 10.191 -3.945 124 1HH2 ARG 13 1HH2 ARG 13 -20.086 7.482 -3.177 125 2HH2 ARG 13 2HH2 ARG 13 -20.218 9.210 -3.195 126 H PHE 14 H PHE 14 -25.004 5.372 -9.788 127 HA PHE 14 HA PHE 14 -27.184 7.124 -10.776 128 1HB PHE 14 2HB PHE 14 -24.839 5.943 -12.294 129 2HB PHE 14 1HB PHE 14 -25.924 7.215 -12.856 130 HD1 PHE 14 HD2 PHE 14 -26.212 9.174 -10.952 131 HD2 PHE 14 HD1 PHE 14 -22.764 6.688 -11.546 132 HE1 PHE 14 HE2 PHE 14 -24.792 10.884 -9.853 133 HE2 PHE 14 HE1 PHE 14 -21.341 8.397 -10.449 134 HZ PHE 14 HZ PHE 14 -22.356 10.495 -9.600 135 H GLY 15 H GLY 15 -26.028 3.804 -10.971 136 1HA GLY 15 2HA GLY 15 -27.933 2.147 -11.250 137 2HA GLY 15 1HA GLY 15 -28.451 3.153 -12.603 138 H GLN 16 H GLN 16 -26.796 0.376 -11.872 139 HA GLN 16 HA GLN 16 -24.527 0.394 -13.555 140 1HB GLN 16 2HB GLN 16 -26.405 -1.956 -13.199 141 2HB GLN 16 1HB GLN 16 -24.679 -2.010 -13.557 142 1HG GLN 16 2HG GLN 16 -24.186 -1.932 -11.365 143 2HG GLN 16 1HG GLN 16 -25.099 -0.433 -11.190 144 1HE2 GLN 16 2HE2 GLN 16 -27.089 -2.467 -9.006 145 2HE2 GLN 16 1HE2 GLN 16 -25.811 -1.351 -9.036 146 H THR 17 H THR 17 -27.893 0.446 -14.360 147 HA THR 17 HA THR 17 -27.710 -0.659 -17.009 148 HB THR 17 HB THR 17 -29.659 1.286 -15.745 149 HG1 THR 17 HG1 THR 17 -30.112 -1.359 -16.594 150 1HG2 THR 17 2HG2 THR 17 -29.452 0.210 -18.533 151 2HG2 THR 17 1HG2 THR 17 -31.052 0.419 -17.820 152 3HG2 THR 17 3HG2 THR 17 -29.972 1.804 -17.986 153 H LYS 18 H LYS 18 -27.526 2.676 -15.767 154 HA LYS 18 HA LYS 18 -27.034 3.793 -18.412 155 1HB LYS 18 2HB LYS 18 -26.448 5.096 -15.743 156 2HB LYS 18 1HB LYS 18 -26.783 5.892 -17.281 157 1HG LYS 18 2HG LYS 18 -28.949 5.962 -16.657 158 2HG LYS 18 1HG LYS 18 -28.982 4.212 -16.871 159 1HD LYS 18 2HD LYS 18 -28.470 3.824 -14.568 160 2HD LYS 18 1HD LYS 18 -28.054 5.519 -14.307 161 1HE LYS 18 2HE LYS 18 -30.255 5.203 -13.398 162 2HE LYS 18 1HE LYS 18 -30.454 6.088 -14.910 163 1HZ LYS 18 2HZ LYS 18 -30.529 3.513 -15.711 164 2HZ LYS 18 1HZ LYS 18 -31.317 3.435 -14.209 165 3HZ LYS 18 3HZ LYS 18 -31.893 4.479 -15.413 166 H THR 19 H THR 19 -25.099 2.412 -15.876 167 HA THR 19 HA THR 19 -22.589 3.631 -16.695 168 HB THR 19 HB THR 19 -22.953 1.033 -15.177 169 HG1 THR 19 HG1 THR 19 -24.090 2.421 -13.992 170 1HG2 THR 19 1HG2 THR 19 -20.661 1.885 -16.066 171 2HG2 THR 19 3HG2 THR 19 -20.803 3.109 -14.806 172 3HG2 THR 19 2HG2 THR 19 -20.772 1.400 -14.374 173 H ALA 20 H ALA 20 -24.403 0.747 -17.560 174 HA ALA 20 HA ALA 20 -22.187 -0.310 -19.194 175 1HB ALA 20 3HB ALA 20 -24.172 -1.571 -17.867 176 2HB ALA 20 2HB ALA 20 -24.937 -1.420 -19.448 177 3HB ALA 20 1HB ALA 20 -23.395 -2.262 -19.290 178 H LYS 21 H LYS 21 -25.007 1.683 -19.556 179 HA LYS 21 HA LYS 21 -25.181 1.311 -22.457 180 1HB LYS 21 2HB LYS 21 -27.178 1.881 -21.067 181 2HB LYS 21 1HB LYS 21 -26.441 3.441 -20.702 182 1HG LYS 21 2HG LYS 21 -26.256 3.649 -23.316 183 2HG LYS 21 1HG LYS 21 -27.531 2.430 -23.312 184 1HD LYS 21 2HD LYS 21 -28.618 4.046 -21.515 185 2HD LYS 21 1HD LYS 21 -27.605 5.251 -22.310 186 1HE LYS 21 2HE LYS 21 -28.700 3.916 -24.454 187 2HE LYS 21 1HE LYS 21 -30.025 3.901 -23.291 188 1HZ LYS 21 2HZ LYS 21 -28.488 6.332 -24.014 189 2HZ LYS 21 1HZ LYS 21 -29.962 5.898 -24.735 190 3HZ LYS 21 3HZ LYS 21 -29.903 6.253 -23.078 191 H ASP 22 H ASP 22 -23.721 3.579 -20.199 192 HA ASP 22 HA ASP 22 -22.920 5.419 -22.344 193 1HB ASP 22 2HB ASP 22 -22.981 5.448 -19.438 194 2HB ASP 22 1HB ASP 22 -21.417 5.997 -20.045 195 H LEU 23 H LEU 23 -21.469 2.883 -20.357 196 HA LEU 23 HA LEU 23 -18.817 3.317 -21.553 197 1HB LEU 23 2HB LEU 23 -19.945 1.371 -19.543 198 2HB LEU 23 1HB LEU 23 -18.346 1.122 -20.245 199 HG LEU 23 HG LEU 23 -19.055 3.808 -19.108 200 1HD1 LEU 23 1HD1 LEU 23 -18.790 1.284 -17.625 201 2HD1 LEU 23 3HD1 LEU 23 -17.682 2.542 -17.080 202 3HD1 LEU 23 2HD1 LEU 23 -19.419 2.842 -17.088 203 1HD2 LEU 23 2HD2 LEU 23 -16.603 2.213 -19.761 204 2HD2 LEU 23 1HD2 LEU 23 -16.965 3.901 -20.120 205 3HD2 LEU 23 3HD2 LEU 23 -16.504 3.427 -18.485 206 H GLY 24 H GLY 24 -21.672 1.565 -22.280 207 1HA GLY 24 2HA GLY 24 -22.137 0.216 -24.155 208 2HA GLY 24 1HA GLY 24 -20.474 0.465 -24.686 209 H VAL 25 H VAL 25 -21.370 -0.817 -21.521 210 HA VAL 25 HA VAL 25 -20.023 -3.365 -22.306 211 HB VAL 25 HB VAL 25 -20.531 -2.875 -19.435 212 1HG1 VAL 25 3HG1 VAL 25 -18.971 -4.552 -20.936 213 2HG1 VAL 25 2HG1 VAL 25 -17.805 -3.308 -20.483 214 3HG1 VAL 25 1HG1 VAL 25 -18.685 -4.189 -19.233 215 1HG2 VAL 25 2HG2 VAL 25 -18.709 -1.090 -21.072 216 2HG2 VAL 25 1HG2 VAL 25 -20.004 -0.591 -19.984 217 3HG2 VAL 25 3HG2 VAL 25 -18.530 -1.306 -19.330 218 OH TYR 26 OH TYR 26 -18.925 -7.274 -25.329 219 H TYR 26 H TYR 26 -20.917 -5.265 -20.839 220 HA TYR 26 HA TYR 26 -23.846 -5.292 -21.299 221 1HB TYR 26 2HB TYR 26 -22.388 -7.693 -20.280 222 2HB TYR 26 1HB TYR 26 -23.686 -7.590 -21.469 223 HD1 TYR 26 HD2 TYR 26 -22.968 -6.054 -23.616 224 HD2 TYR 26 HD1 TYR 26 -20.306 -8.309 -21.110 225 HE1 TYR 26 HE2 TYR 26 -21.295 -6.113 -25.447 226 HE2 TYR 26 HE1 TYR 26 -18.632 -8.366 -22.938 227 HH TYR 26 HH TYR 26 -18.135 -7.708 -24.997 228 H GLN 27 H GLN 27 -25.236 -6.280 -19.585 229 HA GLN 27 HA GLN 27 -24.868 -4.975 -17.064 230 1HB GLN 27 2HB GLN 27 -26.700 -7.204 -17.965 231 2HB GLN 27 1HB GLN 27 -26.746 -6.550 -16.328 232 1HG GLN 27 2HG GLN 27 -27.356 -4.378 -17.103 233 2HG GLN 27 1HG GLN 27 -26.957 -4.783 -18.773 234 1HE2 GLN 27 2HE2 GLN 27 -30.492 -5.279 -19.040 235 2HE2 GLN 27 1HE2 GLN 27 -29.236 -4.178 -19.344 236 H SER 28 H SER 28 -24.291 -8.310 -18.122 237 HA SER 28 HA SER 28 -23.483 -9.213 -15.481 238 1HB SER 28 2HB SER 28 -24.268 -10.548 -17.672 239 2HB SER 28 1HB SER 28 -22.528 -10.627 -17.927 240 HG SER 28 HG SER 28 -22.328 -11.548 -15.873 241 H ALA 29 H ALA 29 -22.013 -7.221 -17.756 242 HA ALA 29 HA ALA 29 -19.262 -8.122 -17.207 243 1HB ALA 29 2HB ALA 29 -20.491 -5.933 -18.879 244 2HB ALA 29 1HB ALA 29 -18.766 -5.913 -18.513 245 3HB ALA 29 3HB ALA 29 -19.464 -7.270 -19.398 246 H ILE 30 H ILE 30 -21.444 -5.482 -16.371 247 HA ILE 30 HA ILE 30 -19.461 -4.128 -14.714 248 HB ILE 30 HB ILE 30 -22.431 -3.794 -15.163 249 1HG1 ILE 30 2HG1 ILE 30 -20.082 -1.928 -15.621 250 2HG1 ILE 30 1HG1 ILE 30 -20.765 -2.978 -16.864 251 1HG2 ILE 30 3HG2 ILE 30 -21.904 -3.321 -12.778 252 2HG2 ILE 30 2HG2 ILE 30 -20.670 -2.175 -13.301 253 3HG2 ILE 30 1HG2 ILE 30 -22.369 -1.866 -13.661 254 1HD1 ILE 30 1HD1 ILE 30 -22.949 -1.620 -15.681 255 2HD1 ILE 30 3HD1 ILE 30 -21.704 -0.405 -15.968 256 3HD1 ILE 30 2HD1 ILE 30 -22.298 -1.391 -17.304 257 H ASN 31 H ASN 31 -22.026 -6.494 -14.275 258 HA ASN 31 HA ASN 31 -21.975 -6.357 -11.364 259 1HB ASN 31 2HB ASN 31 -23.971 -7.175 -12.572 260 2HB ASN 31 1HB ASN 31 -23.033 -8.528 -13.204 261 1HD2 ASN 31 2HD2 ASN 31 -23.432 -10.456 -10.285 262 2HD2 ASN 31 1HD2 ASN 31 -22.933 -10.388 -11.907 263 H LYS 32 H LYS 32 -20.382 -8.287 -13.864 264 HA LYS 32 HA LYS 32 -19.188 -10.161 -12.005 265 1HB LYS 32 2HB LYS 32 -18.765 -9.455 -14.895 266 2HB LYS 32 1HB LYS 32 -17.586 -10.470 -14.062 267 1HG LYS 32 2HG LYS 32 -19.216 -12.137 -13.571 268 2HG LYS 32 1HG LYS 32 -20.549 -11.065 -14.001 269 1HD LYS 32 2HD LYS 32 -20.356 -11.520 -16.213 270 2HD LYS 32 1HD LYS 32 -18.594 -11.436 -16.165 271 1HE LYS 32 2HE LYS 32 -19.479 -13.744 -14.688 272 2HE LYS 32 1HE LYS 32 -20.203 -13.765 -16.296 273 1HZ LYS 32 1HZ LYS 32 -17.352 -13.118 -16.008 274 2HZ LYS 32 3HZ LYS 32 -17.841 -14.739 -15.917 275 3HZ LYS 32 2HZ LYS 32 -18.169 -13.831 -17.316 276 H ALA 33 H ALA 33 -18.131 -7.158 -13.568 277 HA ALA 33 HA ALA 33 -15.445 -7.177 -12.609 278 1HB ALA 33 2HB ALA 33 -16.955 -5.467 -14.162 279 2HB ALA 33 1HB ALA 33 -16.717 -4.526 -12.689 280 3HB ALA 33 3HB ALA 33 -15.324 -5.129 -13.586 281 H ILE 34 H ILE 34 -18.423 -5.824 -11.227 282 HA ILE 34 HA ILE 34 -17.241 -4.783 -8.837 283 HB ILE 34 HB ILE 34 -20.044 -5.828 -9.349 284 1HG1 ILE 34 2HG1 ILE 34 -19.167 -3.874 -10.741 285 2HG1 ILE 34 1HG1 ILE 34 -20.630 -3.552 -9.809 286 1HG2 ILE 34 2HG2 ILE 34 -18.716 -4.810 -6.943 287 2HG2 ILE 34 1HG2 ILE 34 -20.172 -3.907 -7.360 288 3HG2 ILE 34 3HG2 ILE 34 -20.258 -5.649 -7.104 289 1HD1 ILE 34 3HD1 ILE 34 -19.231 -2.554 -8.008 290 2HD1 ILE 34 2HD1 ILE 34 -17.801 -2.809 -9.008 291 3HD1 ILE 34 1HD1 ILE 34 -19.060 -1.695 -9.540 292 H HIS 35 H HIS 35 -18.592 -7.932 -9.682 293 HA HIS 35 HA HIS 35 -18.399 -9.111 -7.079 294 1HB HIS 35 2HB HIS 35 -18.668 -10.117 -9.887 295 2HB HIS 35 1HB HIS 35 -18.222 -11.268 -8.627 296 HD1 HIS 35 HD1 HIS 35 -20.853 -11.953 -9.597 297 HD2 HIS 35 HD2 HIS 35 -20.422 -8.854 -6.845 298 HE1 HIS 35 HE1 HIS 35 -23.117 -11.648 -8.503 299 H ALA 36 H ALA 36 -16.042 -8.360 -9.492 300 HA ALA 36 HA ALA 36 -14.064 -10.294 -8.519 301 1HB ALA 36 2HB ALA 36 -14.372 -8.898 -10.878 302 2HB ALA 36 1HB ALA 36 -13.072 -8.010 -10.083 303 3HB ALA 36 3HB ALA 36 -12.901 -9.739 -10.387 304 H GLY 37 H GLY 37 -15.053 -7.049 -7.780 305 1HA GLY 37 2HA GLY 37 -14.273 -5.534 -6.168 306 2HA GLY 37 1HA GLY 37 -13.503 -6.921 -5.395 307 NH1 ARG 38 NH1 ARG 38 -10.035 -10.441 -10.893 308 NH2 ARG 38 NH2 ARG 38 -8.265 -10.642 -12.285 309 H ARG 38 H ARG 38 -12.700 -6.185 -8.699 310 HA ARG 38 HA ARG 38 -9.898 -5.876 -8.022 311 1HB ARG 38 2HB ARG 38 -11.374 -6.437 -10.348 312 2HB ARG 38 1HB ARG 38 -10.575 -4.898 -10.670 313 1HG ARG 38 2HG ARG 38 -8.469 -5.809 -10.574 314 2HG ARG 38 1HG ARG 38 -8.932 -7.012 -9.368 315 1HD ARG 38 2HD ARG 38 -10.432 -7.869 -11.440 316 2HD ARG 38 1HD ARG 38 -9.098 -7.141 -12.334 317 HE ARG 38 HE ARG 38 -7.686 -8.633 -10.630 318 1HH1 ARG 38 2HH1 ARG 38 -10.558 -9.905 -10.230 319 2HH1 ARG 38 1HH1 ARG 38 -10.345 -11.356 -11.152 320 1HH2 ARG 38 1HH2 ARG 38 -7.433 -10.262 -12.689 321 2HH2 ARG 38 2HH2 ARG 38 -8.573 -11.558 -12.546 322 H LYS 39 H LYS 39 -9.034 -3.788 -9.660 323 HA LYS 39 HA LYS 39 -10.092 -1.438 -8.157 324 1HB LYS 39 2HB LYS 39 -7.515 -1.535 -9.734 325 2HB LYS 39 1HB LYS 39 -7.969 -0.405 -8.458 326 1HG LYS 39 2HG LYS 39 -7.575 -3.384 -8.045 327 2HG LYS 39 1HG LYS 39 -6.362 -2.156 -7.676 328 1HD LYS 39 2HD LYS 39 -8.847 -1.353 -6.498 329 2HD LYS 39 1HD LYS 39 -8.522 -3.024 -6.036 330 1HE LYS 39 2HE LYS 39 -6.200 -2.325 -5.378 331 2HE LYS 39 1HE LYS 39 -6.669 -0.652 -5.683 332 1HZ LYS 39 2HZ LYS 39 -8.284 -2.355 -3.901 333 2HZ LYS 39 1HZ LYS 39 -6.884 -1.593 -3.315 334 3HZ LYS 39 3HZ LYS 39 -8.157 -0.661 -3.937 335 H ILE 40 H ILE 40 -11.912 -1.420 -9.689 336 HA ILE 40 HA ILE 40 -11.172 -0.254 -12.343 337 HB ILE 40 HB ILE 40 -13.946 -1.194 -11.644 338 1HG1 ILE 40 2HG1 ILE 40 -11.573 -2.919 -12.403 339 2HG1 ILE 40 1HG1 ILE 40 -12.609 -3.085 -10.985 340 1HG2 ILE 40 3HG2 ILE 40 -12.555 -0.239 -13.956 341 2HG2 ILE 40 2HG2 ILE 40 -13.025 -1.914 -14.248 342 3HG2 ILE 40 1HG2 ILE 40 -14.248 -0.717 -13.822 343 1HD1 ILE 40 2HD1 ILE 40 -14.370 -3.129 -13.165 344 2HD1 ILE 40 1HD1 ILE 40 -13.003 -4.123 -13.667 345 3HD1 ILE 40 3HD1 ILE 40 -13.875 -4.509 -12.184 346 H PHE 41 H PHE 41 -11.156 1.948 -12.103 347 HA PHE 41 HA PHE 41 -13.222 3.185 -10.351 348 1HB PHE 41 2HB PHE 41 -10.861 4.594 -11.597 349 2HB PHE 41 1HB PHE 41 -11.782 5.057 -10.165 350 HD1 PHE 41 HD1 PHE 41 -11.970 2.163 -9.041 351 HD2 PHE 41 HD2 PHE 41 -8.691 4.536 -10.486 352 HE1 PHE 41 HE1 PHE 41 -10.406 0.874 -7.616 353 HE2 PHE 41 HE2 PHE 41 -7.130 3.246 -9.060 354 HZ PHE 41 HZ PHE 41 -7.987 1.414 -7.625 355 H LEU 42 H LEU 42 -14.340 5.123 -11.179 356 HA LEU 42 HA LEU 42 -14.583 5.055 -14.160 357 1HB LEU 42 2HB LEU 42 -16.570 4.713 -12.102 358 2HB LEU 42 1HB LEU 42 -16.944 6.150 -13.055 359 HG LEU 42 HG LEU 42 -16.895 4.892 -15.108 360 1HD1 LEU 42 1HD1 LEU 42 -15.766 2.720 -13.341 361 2HD1 LEU 42 3HD1 LEU 42 -16.518 2.342 -14.890 362 3HD1 LEU 42 2HD1 LEU 42 -15.095 3.381 -14.833 363 1HD2 LEU 42 3HD2 LEU 42 -18.788 4.563 -13.188 364 2HD2 LEU 42 2HD2 LEU 42 -18.902 3.836 -14.791 365 3HD2 LEU 42 1HD2 LEU 42 -18.299 2.887 -13.433 366 H THR 43 H THR 43 -13.364 6.824 -14.722 367 HA THR 43 HA THR 43 -13.697 9.361 -13.233 368 HB THR 43 HB THR 43 -11.810 8.405 -15.385 369 HG1 THR 43 HG1 THR 43 -10.531 8.329 -13.740 370 1HG2 THR 43 2HG2 THR 43 -12.683 11.172 -14.822 371 2HG2 THR 43 1HG2 THR 43 -10.936 10.933 -14.856 372 3HG2 THR 43 3HG2 THR 43 -11.913 10.505 -16.262 373 H ILE 44 H ILE 44 -15.479 10.520 -13.827 374 HA ILE 44 HA ILE 44 -16.297 10.455 -16.687 375 HB ILE 44 HB ILE 44 -17.990 11.830 -14.664 376 1HG1 ILE 44 2HG1 ILE 44 -18.838 9.185 -14.511 377 2HG1 ILE 44 1HG1 ILE 44 -17.087 9.056 -14.369 378 1HG2 ILE 44 3HG2 ILE 44 -18.424 9.976 -17.017 379 2HG2 ILE 44 2HG2 ILE 44 -19.735 10.540 -15.983 380 3HG2 ILE 44 1HG2 ILE 44 -18.793 11.697 -16.922 381 1HD1 ILE 44 2HD1 ILE 44 -18.173 11.278 -12.808 382 2HD1 ILE 44 1HD1 ILE 44 -18.832 9.719 -12.312 383 3HD1 ILE 44 3HD1 ILE 44 -17.087 9.982 -12.306 384 H ASN 45 H ASN 45 -15.212 12.062 -17.765 385 HA ASN 45 HA ASN 45 -14.185 14.439 -16.653 386 1HB ASN 45 2HB ASN 45 -15.126 13.879 -19.477 387 2HB ASN 45 1HB ASN 45 -14.213 15.312 -19.007 388 1HD2 ASN 45 2HD2 ASN 45 -12.312 11.681 -19.179 389 2HD2 ASN 45 1HD2 ASN 45 -14.009 11.744 -19.197 390 H ALA 46 H ALA 46 -14.988 16.504 -16.432 391 HA ALA 46 HA ALA 46 -17.532 17.037 -15.577 392 1HB ALA 46 1HB ALA 46 -15.385 18.670 -16.760 393 2HB ALA 46 3HB ALA 46 -16.991 19.389 -16.872 394 3HB ALA 46 2HB ALA 46 -16.333 18.941 -15.298 395 H ASP 47 H ASP 47 -16.636 16.514 -18.917 396 HA ASP 47 HA ASP 47 -19.104 17.695 -19.959 397 1HB ASP 47 2HB ASP 47 -16.618 16.906 -21.046 398 2HB ASP 47 1HB ASP 47 -17.831 15.867 -21.797 399 H GLY 48 H GLY 48 -19.340 15.510 -17.943 400 1HA GLY 48 2HA GLY 48 -20.596 13.562 -17.612 401 2HA GLY 48 1HA GLY 48 -21.510 14.083 -19.030 402 H SER 49 H SER 49 -18.092 13.563 -19.355 403 HA SER 49 HA SER 49 -18.663 11.321 -21.206 404 1HB SER 49 2HB SER 49 -16.679 11.852 -22.231 405 2HB SER 49 1HB SER 49 -16.948 13.397 -21.430 406 HG SER 49 HG SER 49 -15.072 11.457 -20.960 407 H VAL 50 H VAL 50 -18.463 9.227 -20.529 408 HA VAL 50 HA VAL 50 -17.375 8.677 -17.871 409 HB VAL 50 HB VAL 50 -18.512 6.901 -20.043 410 1HG1 VAL 50 2HG1 VAL 50 -17.157 6.229 -17.443 411 2HG1 VAL 50 1HG1 VAL 50 -18.463 5.209 -18.042 412 3HG1 VAL 50 3HG1 VAL 50 -17.008 5.435 -19.011 413 1HG2 VAL 50 2HG2 VAL 50 -19.574 8.396 -17.801 414 2HG2 VAL 50 1HG2 VAL 50 -20.444 7.497 -19.045 415 3HG2 VAL 50 3HG2 VAL 50 -19.883 6.672 -17.590 416 OH TYR 51 OH TYR 51 -7.737 7.058 -20.764 417 H TYR 51 H TYR 51 -15.411 7.781 -17.402 418 HA TYR 51 HA TYR 51 -13.700 6.802 -19.625 419 1HB TYR 51 2HB TYR 51 -13.224 9.264 -19.145 420 2HB TYR 51 1HB TYR 51 -12.676 8.757 -17.548 421 HD1 TYR 51 HD2 TYR 51 -12.279 7.335 -20.999 422 HD2 TYR 51 HD1 TYR 51 -10.349 8.747 -17.432 423 HE1 TYR 51 HE2 TYR 51 -10.073 6.729 -21.952 424 HE2 TYR 51 HE1 TYR 51 -8.142 8.143 -18.385 425 HH TYR 51 HH TYR 51 -7.810 7.085 -21.721 426 H ALA 52 H ALA 52 -14.227 4.739 -18.572 427 HA ALA 52 HA ALA 52 -13.451 4.319 -15.796 428 1HB ALA 52 2HB ALA 52 -14.111 2.328 -17.989 429 2HB ALA 52 1HB ALA 52 -13.947 1.941 -16.275 430 3HB ALA 52 3HB ALA 52 -15.254 2.992 -16.821 431 H GLU 53 H GLU 53 -11.546 3.478 -15.038 432 HA GLU 53 HA GLU 53 -9.531 2.519 -17.012 433 1HB GLU 53 2HB GLU 53 -9.396 4.955 -15.354 434 2HB GLU 53 1HB GLU 53 -7.981 3.911 -15.225 435 1HG GLU 53 2HG GLU 53 -8.260 3.842 -17.883 436 2HG GLU 53 1HG GLU 53 -9.029 5.402 -17.588 437 H GLU 54 H GLU 54 -7.727 1.417 -15.900 438 HA GLU 54 HA GLU 54 -8.663 0.088 -13.389 439 1HB GLU 54 2HB GLU 54 -8.541 -1.574 -15.107 440 2HB GLU 54 1HB GLU 54 -7.013 -0.939 -15.715 441 1HG GLU 54 2HG GLU 54 -7.017 -1.744 -12.861 442 2HG GLU 54 1HG GLU 54 -7.178 -3.059 -14.026 443 H VAL 55 H VAL 55 -7.085 -0.146 -11.719 444 HA VAL 55 HA VAL 55 -4.376 0.873 -12.170 445 HB VAL 55 HB VAL 55 -5.431 2.289 -9.875 446 1HG1 VAL 55 3HG1 VAL 55 -3.505 2.593 -11.869 447 2HG1 VAL 55 2HG1 VAL 55 -4.669 3.876 -12.203 448 3HG1 VAL 55 1HG1 VAL 55 -3.901 3.774 -10.618 449 1HG2 VAL 55 1HG2 VAL 55 -7.562 2.197 -11.186 450 2HG2 VAL 55 3HG2 VAL 55 -6.933 3.837 -11.032 451 3HG2 VAL 55 2HG2 VAL 55 -6.726 2.952 -12.543 452 H LYS 56 H LYS 56 -3.090 -0.461 -11.016 453 HA LYS 56 HA LYS 56 -4.020 -1.343 -8.333 454 1HB LYS 56 2HB LYS 56 -4.759 -3.240 -9.389 455 2HB LYS 56 1HB LYS 56 -3.656 -3.042 -10.746 456 1HG LYS 56 2HG LYS 56 -1.984 -4.240 -9.728 457 2HG LYS 56 1HG LYS 56 -2.388 -3.632 -8.123 458 1HD LYS 56 2HD LYS 56 -2.994 -5.914 -8.029 459 2HD LYS 56 1HD LYS 56 -4.521 -5.084 -8.324 460 1HE LYS 56 2HE LYS 56 -4.438 -5.612 -10.676 461 2HE LYS 56 1HE LYS 56 -2.791 -6.229 -10.531 462 1HZ LYS 56 2HZ LYS 56 -3.653 -7.937 -9.004 463 2HZ LYS 56 1HZ LYS 56 -5.233 -7.385 -9.297 464 3HZ LYS 56 3HZ LYS 56 -4.321 -8.056 -10.562 465 HA PRO 57 HA PRO 57 0.217 -0.540 -7.468 466 1HB PRO 57 2HB PRO 57 0.310 -1.719 -4.983 467 2HB PRO 57 1HB PRO 57 -0.426 -0.139 -5.301 468 1HG PRO 57 2HG PRO 57 -1.758 -2.764 -4.794 469 2HG PRO 57 1HG PRO 57 -2.347 -1.125 -4.470 470 1HD PRO 57 2HD PRO 57 -3.124 -2.743 -6.645 471 2HD PRO 57 1HD PRO 57 -3.393 -0.992 -6.509 472 H PHE 58 H PHE 58 2.253 -1.633 -7.270 473 HA PHE 58 HA PHE 58 2.399 -4.204 -8.551 474 1HB PHE 58 2HB PHE 58 4.249 -2.171 -7.560 475 2HB PHE 58 1HB PHE 58 4.849 -3.807 -7.288 476 HD1 PHE 58 HD2 PHE 58 2.528 -2.993 -10.029 477 HD2 PHE 58 HD1 PHE 58 6.633 -3.651 -8.946 478 HE1 PHE 58 HE2 PHE 58 3.132 -3.174 -12.427 479 HE2 PHE 58 HE1 PHE 58 7.236 -3.832 -11.345 480 HZ PHE 58 HZ PHE 58 5.486 -3.594 -13.086 481 HA PRO 59 HA PRO 59 4.364 -5.488 -8.426 482 1HB PRO 59 2HB PRO 59 4.492 -8.234 -8.447 483 2HB PRO 59 1HB PRO 59 5.625 -7.210 -7.547 484 1HG PRO 59 2HG PRO 59 3.381 -8.877 -6.515 485 2HG PRO 59 1HG PRO 59 4.859 -8.351 -5.693 486 1HD PRO 59 2HD PRO 59 2.277 -7.216 -5.377 487 2HD PRO 59 1HD PRO 59 3.807 -6.524 -4.797 488 H SER 60 H SER 60 3.860 -7.178 -10.389 489 HA SER 60 HA SER 60 1.282 -6.577 -11.371 490 1HB SER 60 2HB SER 60 1.701 -8.505 -12.963 491 2HB SER 60 1HB SER 60 2.988 -7.304 -12.907 492 HG SER 60 HG SER 60 4.147 -9.043 -12.545 493 H ASN 61 H ASN 61 2.410 -9.741 -10.117 494 HA ASN 61 HA ASN 61 -0.324 -10.173 -9.016 495 1HB ASN 61 2HB ASN 61 0.685 -11.465 -11.328 496 2HB ASN 61 1HB ASN 61 0.733 -12.657 -10.027 497 1HD2 ASN 61 2HD2 ASN 61 -2.688 -13.229 -10.743 498 2HD2 ASN 61 1HD2 ASN 61 -1.117 -13.871 -10.764 499 H LYS 62 H LYS 62 0.027 -12.682 -7.952 500 HA LYS 62 HA LYS 62 2.565 -12.562 -6.398 501 1HB LYS 62 2HB LYS 62 -0.081 -13.088 -5.043 502 2HB LYS 62 1HB LYS 62 1.469 -12.691 -4.301 503 1HG LYS 62 2HG LYS 62 1.259 -10.477 -5.697 504 2HG LYS 62 1HG LYS 62 -0.457 -10.886 -5.735 505 1HD LYS 62 2HD LYS 62 -0.296 -11.170 -3.196 506 2HD LYS 62 1HD LYS 62 1.278 -10.383 -3.312 507 1HE LYS 62 2HE LYS 62 0.341 -8.363 -4.104 508 2HE LYS 62 1HE LYS 62 -1.183 -9.139 -4.535 509 1HZ LYS 62 3HZ LYS 62 -0.600 -9.503 -1.782 510 2HZ LYS 62 2HZ LYS 62 -0.589 -7.851 -2.176 511 3HZ LYS 62 1HZ LYS 62 -1.963 -8.797 -2.505 512 H LYS 63 H LYS 63 1.852 -14.685 -4.638 513 HA LYS 63 HA LYS 63 1.978 -16.938 -6.558 514 1HB LYS 63 2HB LYS 63 3.378 -16.423 -4.254 515 2HB LYS 63 1HB LYS 63 2.133 -17.530 -3.673 516 1HG LYS 63 2HG LYS 63 2.839 -19.269 -5.057 517 2HG LYS 63 1HG LYS 63 3.607 -18.175 -6.207 518 1HD LYS 63 2HD LYS 63 5.487 -17.847 -4.838 519 2HD LYS 63 1HD LYS 63 4.639 -18.381 -3.387 520 1HE LYS 63 2HE LYS 63 4.902 -20.350 -5.609 521 2HE LYS 63 1HE LYS 63 6.356 -19.977 -4.685 522 1HZ LYS 63 3HZ LYS 63 3.805 -20.635 -3.348 523 2HZ LYS 63 2HZ LYS 63 4.880 -21.853 -3.850 524 3HZ LYS 63 1HZ LYS 63 5.377 -20.690 -2.714 525 H THR 64 H THR 64 0.940 -18.968 -4.887 526 HA THR 64 HA THR 64 -1.918 -18.140 -4.585 527 HB THR 64 HB THR 64 -1.546 -20.949 -5.303 528 HG1 THR 64 HG1 THR 64 0.183 -19.969 -6.484 529 1HG2 THR 64 2HG2 THR 64 -3.661 -19.511 -5.300 530 2HG2 THR 64 1HG2 THR 64 -3.038 -18.773 -6.775 531 3HG2 THR 64 3HG2 THR 64 -3.394 -20.498 -6.738 532 H THR 65 H THR 65 -0.739 -17.955 -2.307 533 HA THR 65 HA THR 65 -1.569 -20.348 -0.807 534 HB THR 65 HB THR 65 1.176 -19.318 -0.185 535 HG1 THR 65 HG1 THR 65 0.704 -21.389 -2.044 536 1HG2 THR 65 3HG2 THR 65 -0.561 -21.488 0.593 537 2HG2 THR 65 2HG2 THR 65 0.960 -22.125 -0.033 538 3HG2 THR 65 1HG2 THR 65 0.968 -20.982 1.310 539 H ALA 66 HN ALA 66 -3.108 -18.480 -0.302 540 HA ALA 66 HA ALA 66 -1.979 -16.895 1.970 541 1HB ALA 66 2HB ALA 66 -2.398 -15.446 -0.012 542 2HB ALA 66 1HB ALA 66 -4.085 -15.960 -0.007 543 3HB ALA 66 3HB ALA 66 -3.442 -15.030 1.347 544 1H MET 1 1H MET 1 6.259 17.272 -7.702 545 2H MET 1 3H MET 1 4.804 18.013 -8.162 546 3H MET 1 2H MET 1 5.885 18.829 -7.135 547 HA MET 1 HA MET 1 5.477 17.346 -5.353 548 1HB MET 1 2HB MET 1 3.779 19.150 -5.826 549 2HB MET 1 1HB MET 1 2.822 17.944 -6.686 550 1HG MET 1 2HG MET 1 1.877 17.764 -4.581 551 2HG MET 1 1HG MET 1 3.168 16.573 -4.432 552 1HE MET 1 1HE MET 1 3.028 16.497 -2.190 553 2HE MET 1 3HE MET 1 3.736 17.612 -1.013 554 3HE MET 1 2HE MET 1 2.079 17.844 -1.566 555 H GLU 2 H GLU 2 4.845 16.061 -8.435 556 HA GLU 2 HA GLU 2 4.309 13.412 -7.205 557 1HB GLU 2 2HB GLU 2 2.523 14.876 -9.117 558 2HB GLU 2 1HB GLU 2 2.649 13.121 -9.247 559 1HG GLU 2 2HG GLU 2 2.000 12.861 -6.910 560 2HG GLU 2 1HG GLU 2 1.978 14.611 -6.693 561 H GLN 3 H GLN 3 6.748 13.755 -8.020 562 HA GLN 3 HA GLN 3 7.530 13.751 -10.682 563 1HB GLN 3 2HB GLN 3 8.603 11.842 -8.581 564 2HB GLN 3 1HB GLN 3 9.450 12.402 -10.023 565 1HG GLN 3 2HG GLN 3 8.994 14.790 -9.062 566 2HG GLN 3 1HG GLN 3 8.742 13.941 -7.536 567 1HE2 GLN 3 1HE2 GLN 3 11.023 15.760 -8.364 568 2HE2 GLN 3 2HE2 GLN 3 12.425 14.830 -8.142 569 NH1 ARG 4 NH1 ARG 4 0.177 9.748 -11.394 570 NH2 ARG 4 NH2 ARG 4 0.079 9.569 -13.647 571 H ARG 4 H ARG 4 6.193 12.730 -12.171 572 HA ARG 4 HA ARG 4 5.551 9.858 -11.711 573 1HB ARG 4 2HB ARG 4 4.409 12.005 -13.487 574 2HB ARG 4 1HB ARG 4 4.130 10.303 -13.858 575 1HG ARG 4 2HG ARG 4 3.571 11.501 -11.136 576 2HG ARG 4 1HG ARG 4 2.351 11.397 -12.406 577 1HD ARG 4 2HD ARG 4 3.893 8.925 -11.726 578 2HD ARG 4 1HD ARG 4 2.629 9.450 -10.614 579 HE ARG 4 HE ARG 4 2.175 8.201 -13.153 580 1HH1 ARG 4 2HH1 ARG 4 0.679 9.633 -10.538 581 2HH1 ARG 4 1HH1 ARG 4 -0.752 10.119 -11.384 582 1HH2 ARG 4 1HH2 ARG 4 0.507 9.318 -14.515 583 2HH2 ARG 4 2HH2 ARG 4 -0.850 9.937 -13.635 584 H ILE 5 H ILE 5 7.185 8.578 -12.459 585 HA ILE 5 HA ILE 5 8.204 9.139 -15.213 586 HB ILE 5 HB ILE 5 9.789 8.046 -12.873 587 1HG1 ILE 5 2HG1 ILE 5 11.092 10.276 -13.576 588 2HG1 ILE 5 1HG1 ILE 5 9.474 10.755 -14.089 589 1HG2 ILE 5 3HG2 ILE 5 10.580 8.702 -15.727 590 2HG2 ILE 5 2HG2 ILE 5 11.700 8.229 -14.449 591 3HG2 ILE 5 1HG2 ILE 5 10.483 7.089 -15.022 592 1HD1 ILE 5 3HD1 ILE 5 8.689 9.966 -11.771 593 2HD1 ILE 5 2HD1 ILE 5 10.395 9.956 -11.326 594 3HD1 ILE 5 1HD1 ILE 5 9.623 11.461 -11.825 595 H THR 6 H THR 6 8.455 7.291 -16.526 596 HA THR 6 HA THR 6 6.785 5.044 -15.913 597 HB THR 6 HB THR 6 9.018 4.926 -17.933 598 HG1 THR 6 HG1 THR 6 8.218 6.817 -18.512 599 1HG2 THR 6 1HG2 THR 6 7.504 2.976 -17.568 600 2HG2 THR 6 3HG2 THR 6 6.132 4.000 -17.988 601 3HG2 THR 6 2HG2 THR 6 7.369 3.647 -19.193 602 H LEU 7 H LEU 7 7.418 2.849 -15.458 603 HA LEU 7 HA LEU 7 9.421 2.542 -13.469 604 1HB LEU 7 2HB LEU 7 7.581 0.966 -13.644 605 2HB LEU 7 1HB LEU 7 8.094 0.490 -15.263 606 HG LEU 7 HG LEU 7 10.155 -0.456 -14.387 607 1HD1 LEU 7 2HD1 LEU 7 10.430 1.245 -12.562 608 2HD1 LEU 7 1HD1 LEU 7 9.171 0.412 -11.653 609 3HD1 LEU 7 3HD1 LEU 7 10.688 -0.411 -12.014 610 1HD2 LEU 7 3HD2 LEU 7 7.705 -1.261 -12.787 611 2HD2 LEU 7 2HD2 LEU 7 8.212 -1.927 -14.339 612 3HD2 LEU 7 1HD2 LEU 7 9.181 -2.220 -12.894 613 H LYS 8 H LYS 8 9.732 2.753 -16.869 614 HA LYS 8 HA LYS 8 12.247 1.213 -16.941 615 1HB LYS 8 2HB LYS 8 12.182 1.494 -19.298 616 2HB LYS 8 1HB LYS 8 10.499 1.267 -18.824 617 1HG LYS 8 2HG LYS 8 10.320 3.807 -18.706 618 2HG LYS 8 1HG LYS 8 11.891 3.864 -19.505 619 1HD LYS 8 2HD LYS 8 10.730 2.189 -21.198 620 2HD LYS 8 1HD LYS 8 9.254 2.932 -20.580 621 1HE LYS 8 2HE LYS 8 10.030 4.158 -22.550 622 2HE LYS 8 1HE LYS 8 10.188 5.174 -21.118 623 1HZ LYS 8 2HZ LYS 8 12.529 3.654 -21.421 624 2HZ LYS 8 1HZ LYS 8 12.185 4.408 -22.905 625 3HZ LYS 8 3HZ LYS 8 12.346 5.342 -21.498 626 H ASP 9 H ASP 9 11.183 4.589 -17.182 627 HA ASP 9 HA ASP 9 13.797 5.654 -17.726 628 1HB ASP 9 2HB ASP 9 11.137 6.693 -17.148 629 2HB ASP 9 1HB ASP 9 12.393 7.641 -16.350 630 OH TYR 10 OH TYR 10 14.645 4.452 -7.004 631 H TYR 10 H TYR 10 12.049 4.946 -14.740 632 HA TYR 10 HA TYR 10 14.143 6.125 -13.058 633 1HB TYR 10 2HB TYR 10 11.861 6.109 -12.213 634 2HB TYR 10 1HB TYR 10 11.762 4.358 -12.414 635 HD1 TYR 10 HD1 TYR 10 13.442 2.905 -11.119 636 HD2 TYR 10 HD2 TYR 10 12.700 7.037 -10.213 637 HE1 TYR 10 HE1 TYR 10 14.415 2.585 -8.861 638 HE2 TYR 10 HE2 TYR 10 13.671 6.716 -7.953 639 HH TYR 10 HH TYR 10 15.587 4.293 -7.105 640 H ALA 11 H ALA 11 13.300 2.964 -14.335 641 HA ALA 11 HA ALA 11 15.135 1.498 -12.634 642 1HB ALA 11 3HB ALA 11 13.594 0.888 -15.142 643 2HB ALA 11 2HB ALA 11 14.856 -0.220 -14.601 644 3HB ALA 11 1HB ALA 11 13.479 0.128 -13.554 645 H MET 12 H MET 12 15.417 3.316 -15.605 646 HA MET 12 HA MET 12 18.060 2.152 -16.217 647 1HB MET 12 2HB MET 12 16.049 3.632 -17.664 648 2HB MET 12 1HB MET 12 17.614 4.434 -17.816 649 1HG MET 12 2HG MET 12 17.838 1.532 -18.054 650 2HG MET 12 1HG MET 12 16.769 2.220 -19.277 651 1HE MET 12 3HE MET 12 19.914 1.497 -17.903 652 2HE MET 12 2HE MET 12 20.196 0.952 -19.554 653 3HE MET 12 1HE MET 12 21.186 2.242 -18.878 654 NH1 ARG 13 NH2 ARG 13 19.782 10.582 -14.399 655 NH2 ARG 13 NH1 ARG 13 18.591 12.484 -14.666 656 H ARG 13 H ARG 13 16.728 5.299 -15.230 657 HA ARG 13 HA ARG 13 19.375 6.491 -14.977 658 1HB ARG 13 2HB ARG 13 16.562 7.355 -14.460 659 2HB ARG 13 1HB ARG 13 17.852 8.222 -13.627 660 1HG ARG 13 2HG ARG 13 18.985 8.584 -15.814 661 2HG ARG 13 1HG ARG 13 17.626 7.800 -16.621 662 1HD ARG 13 2HD ARG 13 17.407 10.271 -16.649 663 2HD ARG 13 1HD ARG 13 16.095 9.508 -15.750 664 HE ARG 13 HE ARG 13 16.943 10.490 -13.766 665 1HH1 ARG 13 1HH2 ARG 13 19.814 9.587 -14.302 666 2HH1 ARG 13 2HH2 ARG 13 20.629 11.113 -14.388 667 1HH2 ARG 13 2HH1 ARG 13 17.711 12.947 -14.775 668 2HH2 ARG 13 1HH1 ARG 13 19.437 13.016 -14.655 669 H PHE 14 H PHE 14 17.393 4.520 -12.983 670 HA PHE 14 HA PHE 14 19.148 5.180 -10.652 671 1HB PHE 14 2HB PHE 14 16.305 4.140 -10.507 672 2HB PHE 14 1HB PHE 14 17.309 4.677 -9.164 673 HD1 PHE 14 HD2 PHE 14 16.073 5.963 -12.481 674 HD2 PHE 14 HD1 PHE 14 17.011 6.836 -8.383 675 HE1 PHE 14 HE2 PHE 14 15.280 8.289 -12.794 676 HE2 PHE 14 HE1 PHE 14 16.219 9.162 -8.696 677 HZ PHE 14 HZ PHE 14 15.354 9.890 -10.901 678 H GLY 15 H GLY 15 18.870 3.003 -12.973 679 1HA GLY 15 2HA GLY 15 19.569 0.768 -13.154 680 2HA GLY 15 1HA GLY 15 20.153 0.900 -11.495 681 H GLN 16 H GLN 16 18.387 -1.126 -13.090 682 HA GLN 16 HA GLN 16 15.796 -1.139 -11.886 683 1HB GLN 16 2HB GLN 16 17.238 -3.693 -12.550 684 2HB GLN 16 1HB GLN 16 15.541 -3.279 -12.798 685 1HG GLN 16 2HG GLN 16 16.086 -2.797 -14.935 686 2HG GLN 16 1HG GLN 16 16.933 -1.383 -14.307 687 1HE2 GLN 16 2HE2 GLN 16 19.077 -4.319 -15.979 688 2HE2 GLN 16 1HE2 GLN 16 17.392 -4.187 -16.132 689 H THR 17 H THR 17 18.909 -1.856 -10.600 690 HA THR 17 HA THR 17 18.091 -3.691 -8.529 691 HB THR 17 HB THR 17 20.452 -1.790 -8.666 692 HG1 THR 17 HG1 THR 17 19.985 -3.777 -10.136 693 1HG2 THR 17 1HG2 THR 17 19.915 -4.150 -6.841 694 2HG2 THR 17 3HG2 THR 17 21.425 -3.243 -6.919 695 3HG2 THR 17 2HG2 THR 17 19.953 -2.455 -6.353 696 H LYS 18 H LYS 18 18.561 -0.156 -8.609 697 HA LYS 18 HA LYS 18 17.781 0.212 -5.849 698 1HB LYS 18 2HB LYS 18 17.684 2.247 -8.092 699 2HB LYS 18 1HB LYS 18 17.780 2.576 -6.361 700 1HG LYS 18 2HG LYS 18 19.979 1.409 -6.291 701 2HG LYS 18 1HG LYS 18 19.889 1.186 -8.038 702 1HD LYS 18 2HD LYS 18 19.831 3.610 -8.375 703 2HD LYS 18 1HD LYS 18 19.837 3.871 -6.631 704 1HE LYS 18 2HE LYS 18 22.031 2.416 -8.131 705 2HE LYS 18 1HE LYS 18 22.102 4.122 -7.688 706 1HZ LYS 18 3HZ LYS 18 21.695 3.370 -5.346 707 2HZ LYS 18 2HZ LYS 18 21.966 1.779 -5.879 708 3HZ LYS 18 1HZ LYS 18 23.202 2.938 -5.993 709 H THR 19 H THR 19 16.065 0.180 -8.928 710 HA THR 19 HA THR 19 13.577 1.226 -7.900 711 HB THR 19 HB THR 19 13.806 -0.690 -10.226 712 HG1 THR 19 HG1 THR 19 15.396 0.812 -10.566 713 1HG2 THR 19 1HG2 THR 19 11.844 1.230 -9.169 714 2HG2 THR 19 3HG2 THR 19 12.140 1.391 -10.900 715 3HG2 THR 19 2HG2 THR 19 11.604 -0.153 -10.238 716 H ALA 20 H ALA 20 15.085 -1.926 -7.929 717 HA ALA 20 HA ALA 20 12.608 -3.307 -7.148 718 1HB ALA 20 3HB ALA 20 15.489 -4.245 -7.318 719 2HB ALA 20 2HB ALA 20 14.121 -5.290 -6.936 720 3HB ALA 20 1HB ALA 20 14.227 -4.519 -8.518 721 H LYS 21 H LYS 21 15.391 -1.842 -5.632 722 HA LYS 21 HA LYS 21 14.995 -3.140 -3.049 723 1HB LYS 21 2HB LYS 21 16.806 -1.088 -4.191 724 2HB LYS 21 1HB LYS 21 16.469 -0.928 -2.467 725 1HG LYS 21 2HG LYS 21 17.043 -3.381 -2.223 726 2HG LYS 21 1HG LYS 21 17.599 -3.348 -3.896 727 1HD LYS 21 2HD LYS 21 18.631 -1.267 -2.005 728 2HD LYS 21 1HD LYS 21 19.296 -2.898 -1.912 729 1HE LYS 21 2HE LYS 21 19.661 -2.758 -4.429 730 2HE LYS 21 1HE LYS 21 19.287 -1.039 -4.298 731 1HZ LYS 21 3HZ LYS 21 21.095 -1.548 -2.293 732 2HZ LYS 21 2HZ LYS 21 21.685 -2.414 -3.631 733 3HZ LYS 21 1HZ LYS 21 21.402 -0.743 -3.754 734 H ASP 22 H ASP 22 13.870 -0.223 -4.635 735 HA ASP 22 HA ASP 22 12.748 0.874 -2.145 736 1HB ASP 22 2HB ASP 22 13.611 2.084 -4.403 737 2HB ASP 22 1HB ASP 22 11.895 1.941 -4.787 738 H LEU 23 H LEU 23 11.655 -0.825 -5.036 739 HA LEU 23 HA LEU 23 8.841 -0.695 -4.161 740 1HB LEU 23 2HB LEU 23 10.254 -1.876 -6.555 741 2HB LEU 23 1HB LEU 23 8.551 -2.203 -6.230 742 HG LEU 23 HG LEU 23 9.189 0.633 -5.984 743 1HD1 LEU 23 2HD1 LEU 23 10.337 -0.823 -8.214 744 2HD1 LEU 23 1HD1 LEU 23 9.128 0.331 -8.778 745 3HD1 LEU 23 3HD1 LEU 23 10.491 0.885 -7.806 746 1HD2 LEU 23 1HD2 LEU 23 6.923 -0.497 -6.185 747 2HD2 LEU 23 3HD2 LEU 23 7.182 0.849 -7.294 748 3HD2 LEU 23 2HD2 LEU 23 7.314 -0.810 -7.877 749 H GLY 24 H GLY 24 11.564 -2.700 -3.684 750 1HA GLY 24 2HA GLY 24 11.631 -4.560 -2.182 751 2HA GLY 24 1HA GLY 24 9.873 -4.666 -2.275 752 H VAL 25 H VAL 25 9.794 -4.609 -5.196 753 HA VAL 25 HA VAL 25 9.867 -7.367 -5.770 754 HB VAL 25 HB VAL 25 10.063 -6.509 -8.225 755 1HG1 VAL 25 1HG1 VAL 25 7.936 -6.394 -6.248 756 2HG1 VAL 25 3HG1 VAL 25 7.713 -5.165 -7.492 757 3HG1 VAL 25 2HG1 VAL 25 7.853 -6.863 -7.946 758 1HG2 VAL 25 1HG2 VAL 25 10.731 -4.155 -6.776 759 2HG2 VAL 25 3HG2 VAL 25 10.512 -4.320 -8.519 760 3HG2 VAL 25 2HG2 VAL 25 9.145 -3.880 -7.496 761 OH TYR 26 OH TYR 26 9.575 -12.023 -4.713 762 H TYR 26 H TYR 26 11.373 -8.010 -7.884 763 HA TYR 26 HA TYR 26 14.168 -7.564 -6.917 764 1HB TYR 26 2HB TYR 26 13.628 -9.822 -8.761 765 2HB TYR 26 1HB TYR 26 14.648 -9.762 -7.327 766 HD1 TYR 26 HD2 TYR 26 12.886 -8.924 -5.194 767 HD2 TYR 26 HD1 TYR 26 12.073 -11.547 -8.496 768 HE1 TYR 26 HE2 TYR 26 11.095 -10.027 -3.876 769 HE2 TYR 26 HE1 TYR 26 10.283 -12.650 -7.181 770 HH TYR 26 HH TYR 26 9.940 -12.269 -3.859 771 H GLN 27 H GLN 27 15.815 -7.821 -8.791 772 HA GLN 27 HA GLN 27 15.190 -5.841 -10.796 773 1HB GLN 27 2HB GLN 27 17.495 -7.806 -10.619 774 2HB GLN 27 1HB GLN 27 17.413 -6.441 -11.734 775 1HG GLN 27 2HG GLN 27 18.481 -5.323 -10.060 776 2HG GLN 27 1HG GLN 27 16.864 -5.199 -9.369 777 1HE2 GLN 27 2HE2 GLN 27 18.692 -6.635 -6.584 778 2HE2 GLN 27 1HE2 GLN 27 18.355 -5.135 -7.303 779 H SER 28 H SER 28 14.982 -9.326 -10.674 780 HA SER 28 HA SER 28 14.795 -9.680 -13.558 781 1HB SER 28 2HB SER 28 15.394 -11.433 -11.695 782 2HB SER 28 1HB SER 28 13.648 -11.623 -11.571 783 HG SER 28 HG SER 28 13.620 -12.082 -13.803 784 H ALA 29 H ALA 29 12.613 -8.811 -11.002 785 HA ALA 29 HA ALA 29 10.202 -9.478 -12.550 786 1HB ALA 29 3HB ALA 29 10.827 -8.608 -9.822 787 2HB ALA 29 2HB ALA 29 9.434 -7.766 -10.500 788 3HB ALA 29 1HB ALA 29 9.443 -9.527 -10.414 789 H ILE 30 H ILE 30 12.200 -6.694 -11.790 790 HA ILE 30 HA ILE 30 10.396 -4.771 -13.035 791 HB ILE 30 HB ILE 30 13.215 -4.687 -11.964 792 1HG1 ILE 30 2HG1 ILE 30 11.080 -2.739 -11.247 793 2HG1 ILE 30 1HG1 ILE 30 10.838 -4.406 -10.723 794 1HG2 ILE 30 3HG2 ILE 30 11.790 -2.576 -13.600 795 2HG2 ILE 30 2HG2 ILE 30 13.151 -2.215 -12.537 796 3HG2 ILE 30 1HG2 ILE 30 13.370 -3.295 -13.914 797 1HD1 ILE 30 2HD1 ILE 30 13.573 -3.425 -10.283 798 2HD1 ILE 30 1HD1 ILE 30 12.350 -2.531 -9.379 799 3HD1 ILE 30 3HD1 ILE 30 12.494 -4.278 -9.179 800 H ASN 31 H ASN 31 13.035 -6.832 -14.034 801 HA ASN 31 HA ASN 31 13.506 -5.460 -16.560 802 1HB ASN 31 2HB ASN 31 14.748 -7.542 -15.079 803 2HB ASN 31 1HB ASN 31 14.302 -8.225 -16.644 804 1HD2 ASN 31 2HD2 ASN 31 17.559 -6.721 -17.338 805 2HD2 ASN 31 1HD2 ASN 31 16.910 -8.112 -16.611 806 H LYS 32 H LYS 32 11.664 -8.323 -15.517 807 HA LYS 32 HA LYS 32 10.758 -8.963 -18.196 808 1HB LYS 32 2HB LYS 32 9.381 -10.614 -17.163 809 2HB LYS 32 1HB LYS 32 10.850 -10.557 -16.188 810 1HG LYS 32 2HG LYS 32 9.741 -9.044 -14.594 811 2HG LYS 32 1HG LYS 32 8.271 -9.093 -15.567 812 1HD LYS 32 2HD LYS 32 9.470 -11.686 -14.665 813 2HD LYS 32 1HD LYS 32 8.571 -10.722 -13.492 814 1HE LYS 32 2HE LYS 32 7.257 -11.005 -16.124 815 2HE LYS 32 1HE LYS 32 7.412 -12.506 -15.209 816 1HZ LYS 32 1HZ LYS 32 6.578 -10.982 -13.274 817 2HZ LYS 32 3HZ LYS 32 5.930 -10.066 -14.547 818 3HZ LYS 32 2HZ LYS 32 5.478 -11.694 -14.356 819 H ALA 33 H ALA 33 9.595 -6.964 -15.556 820 HA ALA 33 HA ALA 33 6.950 -6.523 -16.616 821 1HB ALA 33 3HB ALA 33 8.693 -5.137 -14.594 822 2HB ALA 33 2HB ALA 33 7.212 -4.357 -15.150 823 3HB ALA 33 1HB ALA 33 7.136 -5.930 -14.358 824 H ILE 34 H ILE 34 10.031 -4.785 -16.894 825 HA ILE 34 HA ILE 34 8.934 -2.690 -18.584 826 HB ILE 34 HB ILE 34 11.778 -3.599 -18.051 827 1HG1 ILE 34 2HG1 ILE 34 10.543 -2.588 -16.140 828 2HG1 ILE 34 1HG1 ILE 34 11.875 -1.567 -16.681 829 1HG2 ILE 34 2HG2 ILE 34 10.742 -1.941 -20.148 830 2HG2 ILE 34 1HG2 ILE 34 11.643 -0.924 -19.023 831 3HG2 ILE 34 3HG2 ILE 34 12.426 -2.312 -19.777 832 1HD1 ILE 34 1HD1 ILE 34 9.493 -0.938 -18.182 833 2HD1 ILE 34 3HD1 ILE 34 9.154 -0.844 -16.454 834 3HD1 ILE 34 2HD1 ILE 34 10.460 0.115 -17.150 835 H HIS 35 H HIS 35 10.276 -5.873 -19.078 836 HA HIS 35 HA HIS 35 10.830 -5.568 -21.899 837 1HB HIS 35 2HB HIS 35 10.480 -7.922 -20.047 838 2HB HIS 35 1HB HIS 35 10.625 -8.166 -21.788 839 HD1 HIS 35 HD1 HIS 35 12.781 -8.743 -19.327 840 HD2 HIS 35 HD2 HIS 35 12.978 -5.849 -22.323 841 HE1 HIS 35 HE1 HIS 35 15.224 -8.109 -19.554 842 H ALA 36 H ALA 36 7.997 -6.416 -19.999 843 HA ALA 36 HA ALA 36 6.442 -7.316 -22.299 844 1HB ALA 36 1HB ALA 36 5.992 -8.049 -19.936 845 2HB ALA 36 3HB ALA 36 5.453 -6.408 -19.578 846 3HB ALA 36 2HB ALA 36 4.572 -7.391 -20.748 847 H GLY 37 H GLY 37 7.385 -4.292 -21.049 848 1HA GLY 37 2HA GLY 37 6.749 -2.099 -21.579 849 2HA GLY 37 1HA GLY 37 6.157 -2.780 -23.096 850 NH1 ARG 38 NH2 ARG 38 -0.001 -8.459 -19.671 851 NH2 ARG 38 NH1 ARG 38 1.022 -8.661 -21.677 852 H ARG 38 H ARG 38 4.832 -4.021 -20.142 853 HA ARG 38 HA ARG 38 2.155 -3.317 -20.899 854 1HB ARG 38 2HB ARG 38 3.372 -4.939 -18.939 855 2HB ARG 38 1HB ARG 38 2.407 -3.760 -18.050 856 1HG ARG 38 2HG ARG 38 1.047 -5.732 -18.606 857 2HG ARG 38 1HG ARG 38 0.449 -4.310 -19.463 858 1HD ARG 38 2HD ARG 38 1.534 -4.993 -21.506 859 2HD ARG 38 1HD ARG 38 2.384 -6.298 -20.679 860 HE ARG 38 HE ARG 38 -0.535 -6.268 -21.278 861 1HH1 ARG 38 1HH2 ARG 38 -0.443 -7.891 -18.978 862 2HH1 ARG 38 2HH2 ARG 38 0.096 -9.443 -19.523 863 1HH2 ARG 38 2HH1 ARG 38 1.366 -8.247 -22.520 864 2HH2 ARG 38 1HH1 ARG 38 1.121 -9.644 -21.527 865 H LYS 39 H LYS 39 0.729 -2.055 -19.220 866 HA LYS 39 HA LYS 39 1.799 0.650 -19.088 867 1HB LYS 39 2HB LYS 39 -0.810 -0.655 -18.339 868 2HB LYS 39 1HB LYS 39 -0.463 0.996 -17.822 869 1HG LYS 39 2HG LYS 39 -1.534 1.323 -19.885 870 2HG LYS 39 1HG LYS 39 0.174 1.390 -20.320 871 1HD LYS 39 2HD LYS 39 -0.032 -1.154 -20.735 872 2HD LYS 39 1HD LYS 39 -1.774 -0.878 -20.722 873 1HE LYS 39 2HE LYS 39 0.283 0.252 -22.621 874 2HE LYS 39 1HE LYS 39 -1.168 -0.675 -23.004 875 1HZ LYS 39 3HZ LYS 39 -2.271 1.359 -21.753 876 2HZ LYS 39 2HZ LYS 39 -0.885 2.150 -22.336 877 3HZ LYS 39 1HZ LYS 39 -1.952 1.390 -23.418 878 H ILE 40 H ILE 40 3.601 0.349 -17.634 879 HA ILE 40 HA ILE 40 2.736 0.101 -14.783 880 HB ILE 40 HB ILE 40 5.443 -0.713 -15.878 881 1HG1 ILE 40 2HG1 ILE 40 3.222 -2.564 -14.989 882 2HG1 ILE 40 1HG1 ILE 40 3.429 -2.097 -16.678 883 1HG2 ILE 40 3HG2 ILE 40 5.159 -0.015 -13.434 884 2HG2 ILE 40 2HG2 ILE 40 4.121 -1.429 -13.251 885 3HG2 ILE 40 1HG2 ILE 40 5.815 -1.629 -13.701 886 1HD1 ILE 40 1HD1 ILE 40 5.919 -2.969 -15.375 887 2HD1 ILE 40 3HD1 ILE 40 4.689 -4.229 -15.475 888 3HD1 ILE 40 2HD1 ILE 40 5.250 -3.426 -16.942 889 H PHE 41 H PHE 41 2.680 2.213 -14.191 890 HA PHE 41 HA PHE 41 4.945 3.971 -14.976 891 1HB PHE 41 2HB PHE 41 2.387 4.796 -13.596 892 2HB PHE 41 1HB PHE 41 3.499 5.808 -14.522 893 HD1 PHE 41 HD2 PHE 41 3.947 3.576 -16.697 894 HD2 PHE 41 HD1 PHE 41 0.448 5.396 -14.993 895 HE1 PHE 41 HE2 PHE 41 2.679 3.077 -18.767 896 HE2 PHE 41 HE1 PHE 41 -0.819 4.897 -17.064 897 HZ PHE 41 HZ PHE 41 0.296 3.736 -18.951 898 H LEU 42 H LEU 42 5.721 5.480 -13.234 899 HA LEU 42 HA LEU 42 5.743 4.094 -10.580 900 1HB LEU 42 2HB LEU 42 7.913 4.856 -12.355 901 2HB LEU 42 1HB LEU 42 8.081 5.640 -10.786 902 HG LEU 42 HG LEU 42 8.000 3.516 -9.641 903 1HD1 LEU 42 1HD1 LEU 42 7.456 2.331 -12.379 904 2HD1 LEU 42 3HD1 LEU 42 7.748 1.398 -10.911 905 3HD1 LEU 42 2HD1 LEU 42 6.313 2.412 -11.041 906 1HD2 LEU 42 2HD2 LEU 42 9.812 3.727 -12.028 907 2HD2 LEU 42 1HD2 LEU 42 10.210 3.866 -10.316 908 3HD2 LEU 42 3HD2 LEU 42 9.876 2.282 -11.017 909 H THR 43 H THR 43 4.606 5.353 -9.181 910 HA THR 43 HA THR 43 4.647 8.304 -9.550 911 HB THR 43 HB THR 43 2.996 6.541 -7.709 912 HG1 THR 43 HG1 THR 43 1.371 7.571 -9.229 913 1HG2 THR 43 1HG2 THR 43 3.622 9.077 -7.138 914 2HG2 THR 43 3HG2 THR 43 2.318 9.388 -8.282 915 3HG2 THR 43 2HG2 THR 43 2.010 8.430 -6.833 916 H ILE 44 H ILE 44 6.509 9.115 -8.627 917 HA ILE 44 HA ILE 44 7.432 7.995 -6.045 918 HB ILE 44 HB ILE 44 8.849 10.321 -7.222 919 1HG1 ILE 44 2HG1 ILE 44 8.708 7.624 -8.610 920 2HG1 ILE 44 1HG1 ILE 44 8.245 9.184 -9.290 921 1HG2 ILE 44 1HG2 ILE 44 9.569 8.858 -5.256 922 2HG2 ILE 44 3HG2 ILE 44 9.864 7.581 -6.437 923 3HG2 ILE 44 2HG2 ILE 44 10.774 9.090 -6.523 924 1HD1 ILE 44 1HD1 ILE 44 11.043 8.601 -8.297 925 2HD1 ILE 44 3HD1 ILE 44 10.551 8.336 -9.970 926 3HD1 ILE 44 2HD1 ILE 44 10.510 9.960 -9.285 927 H ASN 45 H ASN 45 6.912 8.954 -4.150 928 HA ASN 45 HA ASN 45 5.484 11.529 -4.196 929 1HB ASN 45 2HB ASN 45 5.683 9.239 -2.380 930 2HB ASN 45 1HB ASN 45 5.752 10.789 -1.540 931 1HD2 ASN 45 2HD2 ASN 45 2.364 9.954 -3.732 932 2HD2 ASN 45 1HD2 ASN 45 3.847 9.297 -4.231 933 H ALA 46 H ALA 46 6.185 13.358 -3.050 934 HA ALA 46 HA ALA 46 8.768 14.246 -3.256 935 1HB ALA 46 1HB ALA 46 6.750 14.839 -1.084 936 2HB ALA 46 3HB ALA 46 8.272 15.716 -1.235 937 3HB ALA 46 2HB ALA 46 7.084 15.782 -2.537 938 H ASP 47 H ASP 47 7.594 11.995 -0.842 939 HA ASP 47 HA ASP 47 10.040 12.230 0.775 940 1HB ASP 47 2HB ASP 47 7.752 11.698 1.738 941 2HB ASP 47 1HB ASP 47 7.877 10.118 0.963 942 H GLY 48 H GLY 48 10.328 11.448 -2.053 943 1HA GLY 48 2HA GLY 48 11.370 9.794 -3.357 944 2HA GLY 48 1HA GLY 48 12.282 9.460 -1.882 945 H SER 49 H SER 49 8.784 9.118 -2.177 946 HA SER 49 HA SER 49 9.068 6.278 -1.382 947 1HB SER 49 2HB SER 49 6.420 7.593 -1.887 948 2HB SER 49 1HB SER 49 6.852 6.381 -0.683 949 HG SER 49 HG SER 49 8.257 8.162 0.168 950 H VAL 50 H VAL 50 9.232 4.773 -2.990 951 HA VAL 50 HA VAL 50 8.278 5.456 -5.688 952 HB VAL 50 HB VAL 50 9.488 2.848 -4.726 953 1HG1 VAL 50 2HG1 VAL 50 8.803 4.067 -7.377 954 2HG1 VAL 50 1HG1 VAL 50 10.218 3.018 -7.270 955 3HG1 VAL 50 3HG1 VAL 50 8.625 2.398 -6.835 956 1HG2 VAL 50 2HG2 VAL 50 10.889 4.952 -4.324 957 2HG2 VAL 50 1HG2 VAL 50 11.633 3.713 -5.335 958 3HG2 VAL 50 3HG2 VAL 50 10.922 5.146 -6.076 959 OH TYR 51 OH TYR 51 -0.930 1.372 -3.934 960 H TYR 51 H TYR 51 6.240 5.038 -6.304 961 HA TYR 51 HA TYR 51 4.859 2.655 -5.145 962 1HB TYR 51 2HB TYR 51 4.074 4.919 -4.203 963 2HB TYR 51 1HB TYR 51 3.441 5.243 -5.817 964 HD1 TYR 51 HD2 TYR 51 3.580 2.044 -3.869 965 HD2 TYR 51 HD1 TYR 51 1.107 5.066 -5.658 966 HE1 TYR 51 HE2 TYR 51 1.560 0.696 -3.357 967 HE2 TYR 51 HE1 TYR 51 -0.911 3.720 -5.146 968 HH TYR 51 HH TYR 51 -0.692 0.716 -3.274 969 H ALA 52 H ALA 52 5.473 1.556 -7.112 970 HA ALA 52 HA ALA 52 4.689 2.657 -9.697 971 1HB ALA 52 3HB ALA 52 6.629 1.018 -9.203 972 2HB ALA 52 2HB ALA 52 5.385 -0.232 -9.158 973 3HB ALA 52 1HB ALA 52 5.645 0.700 -10.632 974 H GLU 53 H GLU 53 2.875 2.130 -10.890 975 HA GLU 53 HA GLU 53 0.995 0.102 -9.779 976 1HB GLU 53 2HB GLU 53 0.465 3.029 -10.235 977 2HB GLU 53 1HB GLU 53 -0.842 1.856 -10.395 978 1HG GLU 53 2HG GLU 53 -0.541 1.098 -8.126 979 2HG GLU 53 1HG GLU 53 0.937 2.046 -7.951 980 H GLU 54 H GLU 54 -0.779 -0.305 -11.370 981 HA GLU 54 HA GLU 54 0.273 -0.203 -14.155 982 1HB GLU 54 2HB GLU 54 -0.030 -2.492 -13.520 983 2HB GLU 54 1HB GLU 54 -1.563 -2.142 -12.724 984 1HG GLU 54 2HG GLU 54 -2.479 -1.470 -14.985 985 2HG GLU 54 1HG GLU 54 -0.992 -2.097 -15.698 986 H VAL 55 H VAL 55 -1.277 0.450 -15.807 987 HA VAL 55 HA VAL 55 -3.891 1.422 -14.857 988 HB VAL 55 HB VAL 55 -2.710 3.557 -16.390 989 1HG1 VAL 55 1HG1 VAL 55 -4.161 3.085 -13.863 990 2HG1 VAL 55 3HG1 VAL 55 -3.132 4.518 -13.864 991 3HG1 VAL 55 2HG1 VAL 55 -4.398 4.340 -15.079 992 1HG2 VAL 55 2HG2 VAL 55 -1.222 2.762 -13.864 993 2HG2 VAL 55 1HG2 VAL 55 -0.552 2.790 -15.496 994 3HG2 VAL 55 3HG2 VAL 55 -1.030 4.295 -14.712 995 H LYS 56 H LYS 56 -5.340 0.913 -16.390 996 HA LYS 56 HA LYS 56 -4.714 1.299 -19.229 997 1HB LYS 56 2HB LYS 56 -3.775 -0.834 -19.150 998 2HB LYS 56 1HB LYS 56 -4.908 -1.398 -17.926 999 1HG LYS 56 2HG LYS 56 -6.348 -2.142 -19.508 1000 2HG LYS 56 1HG LYS 56 -6.298 -0.600 -20.362 1001 1HD LYS 56 2HD LYS 56 -4.599 -1.271 -21.770 1002 2HD LYS 56 1HD LYS 56 -3.908 -2.376 -20.581 1003 1HE LYS 56 2HE LYS 56 -6.549 -2.849 -21.993 1004 2HE LYS 56 1HE LYS 56 -5.014 -3.541 -22.518 1005 1HZ LYS 56 3HZ LYS 56 -4.822 -4.457 -20.203 1006 2HZ LYS 56 2HZ LYS 56 -6.446 -4.013 -19.968 1007 3HZ LYS 56 1HZ LYS 56 -6.037 -5.148 -21.163 1008 HA PRO 57 HA PRO 57 -9.041 2.143 -19.002 1009 1HB PRO 57 2HB PRO 57 -9.482 2.382 -21.708 1010 2HB PRO 57 1HB PRO 57 -8.727 3.641 -20.716 1011 1HG PRO 57 2HG PRO 57 -7.450 1.742 -22.639 1012 2HG PRO 57 1HG PRO 57 -6.943 3.373 -22.167 1013 1HD PRO 57 2HD PRO 57 -5.801 0.986 -21.218 1014 2HD PRO 57 1HD PRO 57 -5.624 2.581 -20.458 1015 H PHE 58 H PHE 58 -11.105 1.170 -19.620 1016 HA PHE 58 HA PHE 58 -10.902 -1.516 -20.884 1017 1HB PHE 58 2HB PHE 58 -11.482 -2.618 -18.996 1018 2HB PHE 58 1HB PHE 58 -11.172 -1.122 -18.124 1019 HD1 PHE 58 HD2 PHE 58 -13.089 0.504 -17.747 1020 HD2 PHE 58 HD1 PHE 58 -13.686 -3.477 -19.243 1021 HE1 PHE 58 HE2 PHE 58 -15.490 0.635 -17.142 1022 HE2 PHE 58 HE1 PHE 58 -16.085 -3.346 -18.639 1023 HZ PHE 58 HZ PHE 58 -16.987 -1.290 -17.588 1024 HA PRO 59 HA PRO 59 -12.472 -3.135 -20.813 1025 1HB PRO 59 2HB PRO 59 -13.649 -4.329 -22.992 1026 2HB PRO 59 1HB PRO 59 -14.484 -4.069 -21.450 1027 1HG PRO 59 2HG PRO 59 -14.808 -2.609 -24.029 1028 2HG PRO 59 1HG PRO 59 -15.971 -2.830 -22.712 1029 1HD PRO 59 2HD PRO 59 -14.451 -0.492 -23.212 1030 2HD PRO 59 1HD PRO 59 -15.373 -0.846 -21.735 1031 H SER 60 H SER 60 -11.744 -0.837 -23.065 1032 HA SER 60 HA SER 60 -10.536 -1.978 -25.269 1033 1HB SER 60 2HB SER 60 -10.206 0.301 -25.264 1034 2HB SER 60 1HB SER 60 -9.860 0.352 -23.539 1035 HG SER 60 HG SER 60 -8.089 0.585 -25.277 1036 H ASN 61 H ASN 61 -9.367 -3.845 -25.274 1037 HA ASN 61 HA ASN 61 -7.176 -4.098 -23.251 1038 1HB ASN 61 2HB ASN 61 -8.899 -6.261 -24.495 1039 2HB ASN 61 1HB ASN 61 -7.475 -6.580 -23.501 1040 1HD2 ASN 61 2HD2 ASN 61 -10.918 -6.027 -21.629 1041 2HD2 ASN 61 1HD2 ASN 61 -10.754 -6.513 -23.247 1042 H LYS 62 H LYS 62 -5.813 -6.225 -24.362 1043 HA LYS 62 HA LYS 62 -4.155 -5.082 -26.292 1044 1HB LYS 62 2HB LYS 62 -4.824 -7.928 -25.604 1045 2HB LYS 62 1HB LYS 62 -3.787 -7.594 -26.991 1046 1HG LYS 62 2HG LYS 62 -2.258 -6.307 -25.566 1047 2HG LYS 62 1HG LYS 62 -3.307 -6.579 -24.173 1048 1HD LYS 62 2HD LYS 62 -2.694 -9.092 -25.471 1049 2HD LYS 62 1HD LYS 62 -1.206 -8.238 -25.059 1050 1HE LYS 62 2HE LYS 62 -1.864 -9.604 -23.161 1051 2HE LYS 62 1HE LYS 62 -2.104 -7.907 -22.742 1052 1HZ LYS 62 3HZ LYS 62 -4.458 -8.216 -23.501 1053 2HZ LYS 62 2HZ LYS 62 -4.154 -9.887 -23.552 1054 3HZ LYS 62 1HZ LYS 62 -4.041 -9.043 -22.080 1055 H LYS 63 H LYS 63 -4.628 -4.376 -28.311 1056 HA LYS 63 HA LYS 63 -7.054 -5.289 -29.680 1057 1HB LYS 63 2HB LYS 63 -6.366 -3.669 -31.431 1058 2HB LYS 63 1HB LYS 63 -6.380 -2.929 -29.829 1059 1HG LYS 63 2HG LYS 63 -3.954 -3.249 -29.637 1060 2HG LYS 63 1HG LYS 63 -3.922 -4.039 -31.214 1061 1HD LYS 63 2HD LYS 63 -3.251 -1.666 -31.390 1062 2HD LYS 63 1HD LYS 63 -4.745 -1.976 -32.276 1063 1HE LYS 63 2HE LYS 63 -5.826 -0.449 -31.029 1064 2HE LYS 63 1HE LYS 63 -5.409 -1.332 -29.561 1065 1HZ LYS 63 1HZ LYS 63 -3.638 0.612 -30.941 1066 2HZ LYS 63 3HZ LYS 63 -4.555 0.947 -29.555 1067 3HZ LYS 63 2HZ LYS 63 -3.301 -0.197 -29.484 1068 H THR 64 H THR 64 -6.902 -6.056 -31.992 1069 HA THR 64 HA THR 64 -4.704 -8.044 -32.209 1070 HB THR 64 HB THR 64 -6.136 -9.073 -33.962 1071 HG1 THR 64 HG1 THR 64 -7.651 -7.910 -34.792 1072 1HG2 THR 64 1HG2 THR 64 -6.442 -9.238 -31.294 1073 2HG2 THR 64 3HG2 THR 64 -8.031 -8.600 -31.717 1074 3HG2 THR 64 2HG2 THR 64 -7.474 -10.119 -32.420 1075 H THR 65 H THR 65 -2.958 -7.139 -33.217 1076 HA THR 65 HA THR 65 -3.274 -6.214 -35.977 1077 HB THR 65 HB THR 65 -3.722 -4.153 -34.633 1078 HG1 THR 65 HG1 THR 65 -2.689 -3.106 -36.118 1079 1HG2 THR 65 2HG2 THR 65 -1.057 -4.926 -33.486 1080 2HG2 THR 65 1HG2 THR 65 -1.517 -3.226 -33.558 1081 3HG2 THR 65 3HG2 THR 65 -2.507 -4.370 -32.651 1082 H ALA 66 HN ALA 66 -1.151 -5.986 -37.032 1083 HA ALA 66 HA ALA 66 1.106 -7.125 -35.449 1084 1HB ALA 66 3HB ALA 66 -0.315 -8.612 -37.290 1085 2HB ALA 66 2HB ALA 66 1.021 -7.991 -38.259 1086 3HB ALA 66 1HB ALA 66 1.350 -8.931 -36.803 Start of MODEL 19 Raw file had 1086 H/Q atoms Start of MODEL 19 1 1H MET 1 3H MET 1 -23.141 19.621 -7.200 2 2H MET 1 2H MET 1 -23.211 18.658 -5.802 3 3H MET 1 1H MET 1 -22.258 20.065 -5.822 4 HA MET 1 HA MET 1 -20.559 19.095 -6.910 5 1HB MET 1 2HB MET 1 -22.091 16.707 -5.839 6 2HB MET 1 1HB MET 1 -20.396 16.673 -6.325 7 1HG MET 1 2HG MET 1 -20.119 18.664 -4.673 8 2HG MET 1 1HG MET 1 -21.663 18.127 -4.011 9 1HE MET 1 2HE MET 1 -21.123 17.830 -2.025 10 2HE MET 1 1HE MET 1 -21.448 16.111 -1.823 11 3HE MET 1 3HE MET 1 -19.920 16.798 -1.255 12 H GLU 2 H GLU 2 -19.822 17.534 -8.618 13 HA GLU 2 HA GLU 2 -21.758 17.524 -10.833 14 1HB GLU 2 2HB GLU 2 -18.909 16.490 -10.786 15 2HB GLU 2 1HB GLU 2 -19.875 16.865 -12.214 16 1HG GLU 2 2HG GLU 2 -20.058 19.246 -11.234 17 2HG GLU 2 1HG GLU 2 -18.726 18.774 -10.180 18 H GLN 3 H GLN 3 -21.419 15.334 -12.261 19 HA GLN 3 HA GLN 3 -22.645 13.245 -10.649 20 1HB GLN 3 2HB GLN 3 -22.811 13.888 -13.277 21 2HB GLN 3 1HB GLN 3 -21.627 12.582 -13.358 22 1HG GLN 3 2HG GLN 3 -23.680 11.445 -13.527 23 2HG GLN 3 1HG GLN 3 -23.279 11.292 -11.816 24 1HE2 GLN 3 2HE2 GLN 3 -26.729 12.446 -11.660 25 2HE2 GLN 3 1HE2 GLN 3 -25.841 11.017 -11.888 26 NH1 ARG 4 NH1 ARG 4 -14.541 13.101 -8.679 27 NH2 ARG 4 NH2 ARG 4 -15.335 11.211 -7.728 28 H ARG 4 H ARG 4 -21.124 12.497 -9.142 29 HA ARG 4 HA ARG 4 -18.740 11.132 -10.328 30 1HB ARG 4 2HB ARG 4 -18.980 12.654 -7.719 31 2HB ARG 4 1HB ARG 4 -17.633 11.575 -8.085 32 1HG ARG 4 2HG ARG 4 -18.459 13.985 -9.732 33 2HG ARG 4 1HG ARG 4 -17.069 13.909 -8.650 34 1HD ARG 4 2HD ARG 4 -17.509 12.235 -11.138 35 2HD ARG 4 1HD ARG 4 -16.309 13.509 -10.925 36 HE ARG 4 HE ARG 4 -15.775 10.874 -10.294 37 1HH1 ARG 4 2HH1 ARG 4 -14.486 13.719 -9.464 38 2HH1 ARG 4 1HH1 ARG 4 -14.045 13.315 -7.838 39 1HH2 ARG 4 1HH2 ARG 4 -15.888 10.379 -7.782 40 2HH2 ARG 4 2HH2 ARG 4 -14.835 11.424 -6.888 41 H ILE 5 H ILE 5 -18.800 8.968 -10.001 42 HA ILE 5 HA ILE 5 -19.924 7.890 -7.494 43 HB ILE 5 HB ILE 5 -21.007 7.171 -10.233 44 1HG1 ILE 5 2HG1 ILE 5 -23.165 7.758 -8.751 45 2HG1 ILE 5 1HG1 ILE 5 -21.990 8.775 -7.917 46 1HG2 ILE 5 1HG2 ILE 5 -21.143 5.827 -7.564 47 2HG2 ILE 5 3HG2 ILE 5 -22.573 5.785 -8.596 48 3HG2 ILE 5 2HG2 ILE 5 -21.048 5.113 -9.174 49 1HD1 ILE 5 1HD1 ILE 5 -21.718 8.963 -10.813 50 2HD1 ILE 5 3HD1 ILE 5 -23.336 9.414 -10.278 51 3HD1 ILE 5 2HD1 ILE 5 -21.927 10.250 -9.626 52 H THR 6 H THR 6 -19.216 5.689 -7.123 53 HA THR 6 HA THR 6 -16.667 5.087 -8.407 54 HB THR 6 HB THR 6 -18.007 3.031 -6.724 55 HG1 THR 6 HG1 THR 6 -18.404 4.350 -5.165 56 1HG2 THR 6 3HG2 THR 6 -15.425 3.611 -7.596 57 2HG2 THR 6 2HG2 THR 6 -15.421 4.092 -5.899 58 3HG2 THR 6 1HG2 THR 6 -15.863 2.445 -6.347 59 H LEU 7 H LEU 7 -16.230 3.120 -9.610 60 HA LEU 7 HA LEU 7 -18.149 2.521 -11.626 61 1HB LEU 7 2HB LEU 7 -15.786 2.116 -12.006 62 2HB LEU 7 1HB LEU 7 -15.733 0.952 -10.683 63 HG LEU 7 HG LEU 7 -17.193 -0.566 -11.868 64 1HD1 LEU 7 1HD1 LEU 7 -17.507 1.782 -13.735 65 2HD1 LEU 7 3HD1 LEU 7 -17.841 0.139 -14.281 66 3HD1 LEU 7 2HD1 LEU 7 -18.764 0.829 -12.947 67 1HD2 LEU 7 3HD2 LEU 7 -14.786 -0.590 -12.492 68 2HD2 LEU 7 2HD2 LEU 7 -15.816 -1.059 -13.845 69 3HD2 LEU 7 1HD2 LEU 7 -15.125 0.562 -13.783 70 H LYS 8 H LYS 8 -17.956 1.439 -8.392 71 HA LYS 8 HA LYS 8 -19.399 -1.080 -8.921 72 1HB LYS 8 2HB LYS 8 -19.099 -1.558 -6.605 73 2HB LYS 8 1HB LYS 8 -17.599 -0.788 -7.123 74 1HG LYS 8 2HG LYS 8 -18.888 1.421 -6.400 75 2HG LYS 8 1HG LYS 8 -19.779 0.290 -5.382 76 1HD LYS 8 2HD LYS 8 -17.169 -0.510 -4.998 77 2HD LYS 8 1HD LYS 8 -17.010 1.242 -5.139 78 1HE LYS 8 2HE LYS 8 -18.664 1.584 -3.390 79 2HE LYS 8 1HE LYS 8 -18.989 -0.148 -3.310 80 1HZ LYS 8 2HZ LYS 8 -16.461 -0.292 -2.861 81 2HZ LYS 8 1HZ LYS 8 -16.615 1.340 -2.414 82 3HZ LYS 8 3HZ LYS 8 -17.507 0.151 -1.597 83 H ASP 9 H ASP 9 -20.028 2.161 -7.693 84 HA ASP 9 HA ASP 9 -22.735 1.495 -6.812 85 1HB ASP 9 2HB ASP 9 -21.067 3.974 -6.963 86 2HB ASP 9 1HB ASP 9 -22.818 4.151 -6.849 87 OH TYR 10 OH TYR 10 -24.094 4.291 -17.191 88 H TYR 10 H TYR 10 -21.234 2.887 -9.678 89 HA TYR 10 HA TYR 10 -23.799 3.618 -10.885 90 1HB TYR 10 2HB TYR 10 -21.870 4.930 -11.507 91 2HB TYR 10 1HB TYR 10 -20.975 3.483 -11.974 92 HD1 TYR 10 HD1 TYR 10 -24.358 4.968 -12.691 93 HD2 TYR 10 HD2 TYR 10 -20.811 3.120 -14.256 94 HE1 TYR 10 HE1 TYR 10 -25.290 5.121 -14.984 95 HE2 TYR 10 HE2 TYR 10 -21.742 3.273 -16.548 96 HH TYR 10 HH TYR 10 -23.430 4.694 -17.754 97 H ALA 11 H ALA 11 -21.586 0.883 -10.982 98 HA ALA 11 HA ALA 11 -23.018 -0.354 -13.229 99 1HB ALA 11 2HB ALA 11 -20.507 -0.623 -12.667 100 2HB ALA 11 1HB ALA 11 -21.046 -1.747 -11.418 101 3HB ALA 11 3HB ALA 11 -21.401 -2.077 -13.113 102 H MET 12 H MET 12 -23.167 -0.371 -9.754 103 HA MET 12 HA MET 12 -24.765 -2.853 -9.705 104 1HB MET 12 2HB MET 12 -23.689 -0.986 -7.600 105 2HB MET 12 1HB MET 12 -24.918 -2.186 -7.197 106 1HG MET 12 2HG MET 12 -23.050 -3.603 -8.716 107 2HG MET 12 1HG MET 12 -22.070 -2.559 -7.686 108 1HE MET 12 2HE MET 12 -22.760 -1.951 -5.540 109 2HE MET 12 1HE MET 12 -24.041 -2.690 -4.583 110 3HE MET 12 3HE MET 12 -22.367 -3.233 -4.399 111 NH1 ARG 13 NH1 ARG 13 -30.037 2.506 -4.283 112 NH2 ARG 13 NH2 ARG 13 -28.268 3.111 -3.015 113 H ARG 13 H ARG 13 -25.217 0.634 -9.352 114 HA ARG 13 HA ARG 13 -28.076 0.280 -8.729 115 1HB ARG 13 2HB ARG 13 -26.343 2.732 -9.120 116 2HB ARG 13 1HB ARG 13 -28.074 2.810 -8.785 117 1HG ARG 13 2HG ARG 13 -26.385 1.110 -6.999 118 2HG ARG 13 1HG ARG 13 -26.281 2.861 -6.811 119 1HD ARG 13 2HD ARG 13 -28.761 2.956 -6.600 120 2HD ARG 13 1HD ARG 13 -28.814 1.196 -6.698 121 HE ARG 13 HE ARG 13 -27.155 1.469 -4.610 122 1HH1 ARG 13 2HH1 ARG 13 -30.407 2.057 -5.097 123 2HH1 ARG 13 1HH1 ARG 13 -30.656 2.940 -3.628 124 1HH2 ARG 13 1HH2 ARG 13 -27.281 3.125 -2.855 125 2HH2 ARG 13 2HH2 ARG 13 -28.886 3.547 -2.360 126 H PHE 14 H PHE 14 -26.067 0.874 -11.513 127 HA PHE 14 HA PHE 14 -28.513 1.483 -13.117 128 1HB PHE 14 2HB PHE 14 -25.608 1.848 -13.911 129 2HB PHE 14 1HB PHE 14 -27.019 2.393 -14.809 130 HD1 PHE 14 HD1 PHE 14 -25.575 2.671 -11.348 131 HD2 PHE 14 HD2 PHE 14 -27.692 4.596 -14.552 132 HE1 PHE 14 HE1 PHE 14 -25.596 4.789 -10.061 133 HE2 PHE 14 HE2 PHE 14 -27.713 6.715 -13.263 134 HZ PHE 14 HZ PHE 14 -26.665 6.811 -11.019 135 H GLY 15 H GLY 15 -26.493 -1.047 -12.285 136 1HA GLY 15 2HA GLY 15 -26.726 -3.281 -13.117 137 2HA GLY 15 1HA GLY 15 -27.473 -2.632 -14.577 138 H GLN 16 H GLN 16 -24.903 -4.336 -13.778 139 HA GLN 16 HA GLN 16 -22.639 -2.925 -14.791 140 1HB GLN 16 2HB GLN 16 -23.087 -5.897 -15.123 141 2HB GLN 16 1HB GLN 16 -21.559 -5.045 -14.906 142 1HG GLN 16 2HG GLN 16 -21.742 -5.359 -12.686 143 2HG GLN 16 1HG GLN 16 -23.185 -4.345 -12.695 144 1HE2 GLN 16 2HE2 GLN 16 -23.557 -8.367 -12.288 145 2HE2 GLN 16 1HE2 GLN 16 -22.035 -7.638 -12.463 146 H THR 17 H THR 17 -25.429 -4.085 -16.375 147 HA THR 17 HA THR 17 -24.197 -4.568 -18.969 148 HB THR 17 HB THR 17 -27.075 -3.847 -18.821 149 HG1 THR 17 HG1 THR 17 -27.612 -5.631 -17.671 150 1HG2 THR 17 2HG2 THR 17 -25.441 -5.110 -20.621 151 2HG2 THR 17 1HG2 THR 17 -26.182 -6.480 -19.795 152 3HG2 THR 17 3HG2 THR 17 -27.196 -5.272 -20.583 153 H LYS 18 H LYS 18 -25.658 -1.816 -17.316 154 HA LYS 18 HA LYS 18 -25.665 -0.179 -19.745 155 1HB LYS 18 2HB LYS 18 -25.996 0.734 -16.875 156 2HB LYS 18 1HB LYS 18 -26.485 1.600 -18.332 157 1HG LYS 18 2HG LYS 18 -27.987 -0.394 -18.858 158 2HG LYS 18 1HG LYS 18 -27.658 -0.956 -17.219 159 1HD LYS 18 2HD LYS 18 -28.448 1.297 -16.384 160 2HD LYS 18 1HD LYS 18 -28.975 1.649 -18.030 161 1HE LYS 18 2HE LYS 18 -29.940 -0.949 -17.330 162 2HE LYS 18 1HE LYS 18 -30.355 0.160 -16.023 163 1HZ LYS 18 2HZ LYS 18 -30.809 1.468 -18.449 164 2HZ LYS 18 1HZ LYS 18 -31.537 -0.064 -18.553 165 3HZ LYS 18 3HZ LYS 18 -31.952 0.987 -17.288 166 H THR 19 H THR 19 -23.617 -0.585 -16.888 167 HA THR 19 HA THR 19 -21.909 1.674 -17.502 168 HB THR 19 HB THR 19 -21.102 -0.770 -15.913 169 HG1 THR 19 HG1 THR 19 -23.071 -0.066 -15.113 170 1HG2 THR 19 1HG2 THR 19 -20.335 2.162 -15.832 171 2HG2 THR 19 3HG2 THR 19 -19.793 0.959 -14.661 172 3HG2 THR 19 2HG2 THR 19 -19.315 0.821 -16.354 173 H ALA 20 H ALA 20 -21.942 -1.736 -18.385 174 HA ALA 20 HA ALA 20 -19.295 -1.615 -19.630 175 1HB ALA 20 3HB ALA 20 -21.465 -3.669 -19.378 176 2HB ALA 20 2HB ALA 20 -20.245 -3.873 -20.636 177 3HB ALA 20 1HB ALA 20 -19.759 -3.787 -18.942 178 H LYS 21 H LYS 21 -22.631 -1.164 -20.601 179 HA LYS 21 HA LYS 21 -22.042 -1.284 -23.463 180 1HB LYS 21 2HB LYS 21 -24.427 -0.720 -21.767 181 2HB LYS 21 1HB LYS 21 -24.416 -0.025 -23.388 182 1HG LYS 21 2HG LYS 21 -23.811 -2.337 -24.253 183 2HG LYS 21 1HG LYS 21 -24.158 -2.945 -22.633 184 1HD LYS 21 2HD LYS 21 -26.445 -2.056 -22.771 185 2HD LYS 21 1HD LYS 21 -26.106 -1.406 -24.375 186 1HE LYS 21 2HE LYS 21 -27.156 -3.449 -24.864 187 2HE LYS 21 1HE LYS 21 -25.443 -3.859 -24.967 188 1HZ LYS 21 3HZ LYS 21 -26.003 -4.205 -22.343 189 2HZ LYS 21 2HZ LYS 21 -27.432 -4.741 -23.087 190 3HZ LYS 21 1HZ LYS 21 -25.941 -5.444 -23.500 191 H ASP 22 H ASP 22 -22.137 1.164 -20.961 192 HA ASP 22 HA ASP 22 -22.084 3.389 -22.867 193 1HB ASP 22 2HB ASP 22 -22.143 3.062 -19.920 194 2HB ASP 22 1HB ASP 22 -21.301 4.495 -20.511 195 H LEU 23 H LEU 23 -19.774 1.633 -20.843 196 HA LEU 23 HA LEU 23 -17.558 3.344 -21.761 197 1HB LEU 23 2HB LEU 23 -17.706 0.949 -19.916 198 2HB LEU 23 1HB LEU 23 -16.186 1.730 -20.355 199 HG LEU 23 HG LEU 23 -18.030 3.774 -19.604 200 1HD1 LEU 23 1HD1 LEU 23 -18.231 1.286 -18.031 201 2HD1 LEU 23 3HD1 LEU 23 -17.929 2.737 -17.075 202 3HD1 LEU 23 2HD1 LEU 23 -19.342 2.651 -18.125 203 1HD2 LEU 23 3HD2 LEU 23 -15.585 2.614 -18.227 204 2HD2 LEU 23 2HD2 LEU 23 -15.585 3.908 -19.425 205 3HD2 LEU 23 1HD2 LEU 23 -16.316 4.172 -17.842 206 H GLY 24 H GLY 24 -19.156 0.498 -22.776 207 1HA GLY 24 2HA GLY 24 -18.723 -0.627 -24.843 208 2HA GLY 24 1HA GLY 24 -17.122 0.113 -24.881 209 H VAL 25 H VAL 25 -16.465 -0.667 -22.130 210 HA VAL 25 HA VAL 25 -15.132 -3.090 -22.557 211 HB VAL 25 HB VAL 25 -15.410 -3.303 -19.939 212 1HG1 VAL 25 3HG1 VAL 25 -13.601 -2.082 -21.610 213 2HG1 VAL 25 2HG1 VAL 25 -14.071 -0.751 -20.553 214 3HG1 VAL 25 1HG1 VAL 25 -13.407 -2.232 -19.863 215 1HG2 VAL 25 3HG2 VAL 25 -17.273 -1.298 -20.476 216 2HG2 VAL 25 2HG2 VAL 25 -16.605 -1.690 -18.892 217 3HG2 VAL 25 1HG2 VAL 25 -15.872 -0.416 -19.867 218 OH TYR 26 OH TYR 26 -12.513 -6.462 -25.038 219 H TYR 26 H TYR 26 -15.708 -5.124 -21.024 220 HA TYR 26 HA TYR 26 -18.450 -5.937 -21.865 221 1HB TYR 26 2HB TYR 26 -16.597 -7.948 -20.706 222 2HB TYR 26 1HB TYR 26 -17.659 -8.073 -22.107 223 HD1 TYR 26 HD1 TYR 26 -16.955 -6.227 -24.033 224 HD2 TYR 26 HD2 TYR 26 -14.330 -8.085 -21.186 225 HE1 TYR 26 HE1 TYR 26 -15.024 -5.798 -25.532 226 HE2 TYR 26 HE2 TYR 26 -12.401 -7.657 -22.683 227 HH TYR 26 HH TYR 26 -11.743 -6.896 -24.662 228 H GLN 27 H GLN 27 -19.671 -7.318 -20.282 229 HA GLN 27 HA GLN 27 -19.842 -6.028 -17.722 230 1HB GLN 27 2HB GLN 27 -20.960 -8.688 -18.664 231 2HB GLN 27 1HB GLN 27 -21.410 -7.888 -17.158 232 1HG GLN 27 2HG GLN 27 -22.982 -6.770 -18.325 233 2HG GLN 27 1HG GLN 27 -21.669 -5.907 -19.127 234 1HE2 GLN 27 2HE2 GLN 27 -22.806 -7.261 -22.177 235 2HE2 GLN 27 1HE2 GLN 27 -22.451 -5.865 -21.280 236 H SER 28 H SER 28 -18.022 -8.755 -18.910 237 HA SER 28 HA SER 28 -17.408 -9.834 -16.270 238 1HB SER 28 2HB SER 28 -15.763 -10.298 -18.756 239 2HB SER 28 1HB SER 28 -16.033 -11.388 -17.400 240 HG SER 28 HG SER 28 -17.851 -12.008 -18.276 241 H ALA 29 H ALA 29 -16.234 -7.260 -18.237 242 HA ALA 29 HA ALA 29 -13.596 -7.146 -16.944 243 1HB ALA 29 3HB ALA 29 -15.065 -5.424 -18.942 244 2HB ALA 29 2HB ALA 29 -13.597 -4.839 -18.157 245 3HB ALA 29 1HB ALA 29 -13.546 -6.296 -19.149 246 H ILE 30 H ILE 30 -16.763 -5.670 -16.676 247 HA ILE 30 HA ILE 30 -15.902 -3.692 -14.701 248 HB ILE 30 HB ILE 30 -18.557 -4.575 -15.835 249 1HG1 ILE 30 2HG1 ILE 30 -17.209 -1.862 -15.682 250 2HG1 ILE 30 1HG1 ILE 30 -17.056 -2.962 -17.053 251 1HG2 ILE 30 2HG2 ILE 30 -18.031 -2.861 -13.408 252 2HG2 ILE 30 1HG2 ILE 30 -19.492 -2.669 -14.376 253 3HG2 ILE 30 3HG2 ILE 30 -19.160 -4.205 -13.575 254 1HD1 ILE 30 1HD1 ILE 30 -19.839 -2.621 -16.290 255 2HD1 ILE 30 3HD1 ILE 30 -19.085 -1.069 -16.656 256 3HD1 ILE 30 2HD1 ILE 30 -19.075 -2.360 -17.858 257 H ASN 31 H ASN 31 -17.208 -6.945 -14.743 258 HA ASN 31 HA ASN 31 -17.898 -6.984 -11.914 259 1HB ASN 31 2HB ASN 31 -18.673 -8.550 -13.933 260 2HB ASN 31 1HB ASN 31 -17.287 -9.505 -13.406 261 1HD2 ASN 31 2HD2 ASN 31 -19.729 -10.939 -11.200 262 2HD2 ASN 31 1HD2 ASN 31 -18.951 -11.155 -12.693 263 H LYS 32 H LYS 32 -15.074 -7.805 -13.863 264 HA LYS 32 HA LYS 32 -13.644 -9.087 -11.680 265 1HB LYS 32 2HB LYS 32 -12.806 -8.007 -14.378 266 2HB LYS 32 1HB LYS 32 -11.647 -8.698 -13.242 267 1HG LYS 32 2HG LYS 32 -12.681 -10.834 -13.312 268 2HG LYS 32 1HG LYS 32 -14.139 -10.190 -14.068 269 1HD LYS 32 2HD LYS 32 -13.224 -10.207 -16.157 270 2HD LYS 32 1HD LYS 32 -11.635 -9.713 -15.570 271 1HE LYS 32 2HE LYS 32 -11.295 -11.932 -16.302 272 2HE LYS 32 1HE LYS 32 -11.492 -12.090 -14.556 273 1HZ LYS 32 2HZ LYS 32 -13.878 -12.532 -14.970 274 2HZ LYS 32 1HZ LYS 32 -13.551 -12.565 -16.638 275 3HZ LYS 32 3HZ LYS 32 -12.846 -13.718 -15.614 276 H ALA 33 H ALA 33 -13.821 -5.830 -13.032 277 HA ALA 33 HA ALA 33 -11.646 -4.742 -11.486 278 1HB ALA 33 3HB ALA 33 -13.594 -3.779 -13.376 279 2HB ALA 33 2HB ALA 33 -13.549 -2.699 -11.983 280 3HB ALA 33 1HB ALA 33 -12.073 -3.032 -12.888 281 H ILE 34 H ILE 34 -15.102 -5.146 -10.914 282 HA ILE 34 HA ILE 34 -15.028 -3.655 -8.394 283 HB ILE 34 HB ILE 34 -17.125 -5.394 -9.718 284 1HG1 ILE 34 2HG1 ILE 34 -17.243 -2.449 -9.052 285 2HG1 ILE 34 1HG1 ILE 34 -16.511 -3.023 -10.551 286 1HG2 ILE 34 1HG2 ILE 34 -17.039 -4.109 -7.000 287 2HG2 ILE 34 3HG2 ILE 34 -18.576 -4.256 -7.853 288 3HG2 ILE 34 2HG2 ILE 34 -17.645 -5.701 -7.456 289 1HD1 ILE 34 3HD1 ILE 34 -19.256 -3.963 -9.752 290 2HD1 ILE 34 2HD1 ILE 34 -19.047 -2.406 -10.556 291 3HD1 ILE 34 1HD1 ILE 34 -18.534 -3.890 -11.360 292 H HIS 35 H HIS 35 -14.660 -6.960 -9.461 293 HA HIS 35 HA HIS 35 -15.044 -8.180 -6.862 294 1HB HIS 35 2HB HIS 35 -13.924 -9.064 -9.506 295 2HB HIS 35 1HB HIS 35 -13.659 -10.063 -8.075 296 HD1 HIS 35 HD1 HIS 35 -16.808 -8.068 -8.425 297 HD2 HIS 35 HD2 HIS 35 -15.564 -12.013 -8.942 298 HE1 HIS 35 HE1 HIS 35 -18.912 -9.455 -8.678 299 H ALA 36 H ALA 36 -12.354 -6.688 -8.532 300 HA ALA 36 HA ALA 36 -10.357 -7.753 -6.665 301 1HB ALA 36 1HB ALA 36 -10.274 -6.619 -9.221 302 2HB ALA 36 3HB ALA 36 -9.526 -5.408 -8.179 303 3HB ALA 36 2HB ALA 36 -8.883 -7.049 -8.226 304 H GLY 37 H GLY 37 -12.532 -5.082 -6.790 305 1HA GLY 37 2HA GLY 37 -12.890 -3.321 -5.281 306 2HA GLY 37 1HA GLY 37 -11.874 -4.208 -4.143 307 NH1 ARG 38 NH2 ARG 38 -5.328 -4.896 -8.985 308 NH2 ARG 38 NH1 ARG 38 -3.473 -3.693 -9.446 309 H ARG 38 H ARG 38 -10.840 -3.123 -7.340 310 HA ARG 38 HA ARG 38 -8.501 -1.826 -6.195 311 1HB ARG 38 2HB ARG 38 -9.562 -2.385 -8.914 312 2HB ARG 38 1HB ARG 38 -8.500 -0.984 -8.768 313 1HG ARG 38 2HG ARG 38 -7.464 -3.251 -7.273 314 2HG ARG 38 1HG ARG 38 -7.699 -3.657 -8.973 315 1HD ARG 38 2HD ARG 38 -6.256 -1.939 -9.706 316 2HD ARG 38 1HD ARG 38 -6.339 -1.090 -8.162 317 HE ARG 38 HE ARG 38 -4.670 -2.547 -7.323 318 1HH1 ARG 38 1HH2 ARG 38 -6.221 -4.976 -8.541 319 2HH1 ARG 38 2HH2 ARG 38 -4.967 -5.657 -9.523 320 1HH2 ARG 38 2HH1 ARG 38 -2.942 -2.851 -9.354 321 2HH2 ARG 38 1HH1 ARG 38 -3.112 -4.456 -9.983 322 H LYS 39 H LYS 39 -8.114 0.506 -7.480 323 HA LYS 39 HA LYS 39 -10.254 2.227 -6.351 324 1HB LYS 39 2HB LYS 39 -7.448 2.837 -7.328 325 2HB LYS 39 1HB LYS 39 -8.575 4.066 -6.754 326 1HG LYS 39 2HG LYS 39 -7.476 1.726 -5.171 327 2HG LYS 39 1HG LYS 39 -7.146 3.437 -4.900 328 1HD LYS 39 2HD LYS 39 -9.814 3.536 -4.741 329 2HD LYS 39 1HD LYS 39 -9.594 1.854 -4.258 330 1HE LYS 39 2HE LYS 39 -7.631 3.128 -2.809 331 2HE LYS 39 1HE LYS 39 -8.928 4.322 -2.804 332 1HZ LYS 39 2HZ LYS 39 -10.418 2.369 -2.192 333 2HZ LYS 39 1HZ LYS 39 -8.985 1.541 -1.813 334 3HZ LYS 39 3HZ LYS 39 -9.381 2.968 -0.987 335 H ILE 40 H ILE 40 -11.645 1.515 -8.174 336 HA ILE 40 HA ILE 40 -11.002 2.929 -10.727 337 HB ILE 40 HB ILE 40 -13.146 0.852 -10.161 338 1HG1 ILE 40 2HG1 ILE 40 -10.495 0.571 -11.613 339 2HG1 ILE 40 1HG1 ILE 40 -10.806 -0.016 -9.980 340 1HG2 ILE 40 3HG2 ILE 40 -13.601 2.450 -12.038 341 2HG2 ILE 40 2HG2 ILE 40 -12.085 1.945 -12.785 342 3HG2 ILE 40 1HG2 ILE 40 -13.398 0.785 -12.583 343 1HD1 ILE 40 3HD1 ILE 40 -12.755 -0.844 -12.065 344 2HD1 ILE 40 2HD1 ILE 40 -11.145 -1.555 -12.175 345 3HD1 ILE 40 1HD1 ILE 40 -12.102 -1.761 -10.707 346 H PHE 41 H PHE 41 -11.755 5.000 -10.532 347 HA PHE 41 HA PHE 41 -14.352 5.445 -9.159 348 1HB PHE 41 2HB PHE 41 -12.518 7.586 -10.243 349 2HB PHE 41 1HB PHE 41 -13.690 7.707 -8.930 350 HD1 PHE 41 HD1 PHE 41 -10.431 6.172 -9.911 351 HD2 PHE 41 HD2 PHE 41 -13.111 7.123 -6.688 352 HE1 PHE 41 HE1 PHE 41 -8.683 5.552 -8.268 353 HE2 PHE 41 HE2 PHE 41 -11.361 6.504 -5.050 354 HZ PHE 41 HZ PHE 41 -9.146 5.717 -5.839 355 H LEU 42 H LEU 42 -15.945 6.896 -10.244 356 HA LEU 42 HA LEU 42 -15.768 6.688 -13.225 357 1HB LEU 42 2HB LEU 42 -17.640 5.449 -11.481 358 2HB LEU 42 1HB LEU 42 -18.500 6.730 -12.337 359 HG LEU 42 HG LEU 42 -17.742 5.847 -14.490 360 1HD1 LEU 42 1HD1 LEU 42 -16.200 3.939 -12.727 361 2HD1 LEU 42 3HD1 LEU 42 -16.568 3.558 -14.409 362 3HD1 LEU 42 2HD1 LEU 42 -15.586 4.971 -14.018 363 1HD2 LEU 42 1HD2 LEU 42 -19.232 4.202 -12.532 364 2HD2 LEU 42 3HD2 LEU 42 -19.701 4.723 -14.150 365 3HD2 LEU 42 2HD2 LEU 42 -18.645 3.325 -13.945 366 H THR 43 H THR 43 -15.950 8.629 -14.215 367 HA THR 43 HA THR 43 -17.305 10.847 -12.729 368 HB THR 43 HB THR 43 -14.802 10.855 -14.429 369 HG1 THR 43 HG1 THR 43 -15.000 10.603 -11.991 370 1HG2 THR 43 3HG2 THR 43 -16.545 13.194 -13.609 371 2HG2 THR 43 2HG2 THR 43 -14.891 13.356 -14.200 372 3HG2 THR 43 1HG2 THR 43 -16.142 12.695 -15.252 373 H ILE 44 H ILE 44 -19.263 11.041 -13.787 374 HA ILE 44 HA ILE 44 -19.278 10.724 -16.737 375 HB ILE 44 HB ILE 44 -21.778 11.223 -15.165 376 1HG1 ILE 44 2HG1 ILE 44 -21.393 8.422 -15.292 377 2HG1 ILE 44 1HG1 ILE 44 -19.913 9.082 -14.600 378 1HG2 ILE 44 1HG2 ILE 44 -21.719 10.975 -17.665 379 2HG2 ILE 44 3HG2 ILE 44 -21.117 9.333 -17.443 380 3HG2 ILE 44 2HG2 ILE 44 -22.724 9.767 -16.863 381 1HD1 ILE 44 2HD1 ILE 44 -21.443 10.467 -13.068 382 2HD1 ILE 44 1HD1 ILE 44 -22.743 9.400 -13.596 383 3HD1 ILE 44 3HD1 ILE 44 -21.352 8.737 -12.740 384 H ASN 45 H ASN 45 -18.838 12.602 -17.789 385 HA ASN 45 HA ASN 45 -19.016 15.206 -16.741 386 1HB ASN 45 2HB ASN 45 -19.346 14.345 -19.631 387 2HB ASN 45 1HB ASN 45 -18.959 15.977 -19.084 388 1HD2 ASN 45 2HD2 ASN 45 -15.564 15.016 -19.484 389 2HD2 ASN 45 1HD2 ASN 45 -16.825 15.988 -20.071 390 H ALA 46 H ALA 46 -20.632 16.729 -16.660 391 HA ALA 46 HA ALA 46 -23.278 16.099 -16.245 392 1HB ALA 46 1HB ALA 46 -22.001 18.594 -17.339 393 2HB ALA 46 3HB ALA 46 -23.751 18.501 -17.132 394 3HB ALA 46 2HB ALA 46 -22.686 18.312 -15.738 395 H ASP 47 H ASP 47 -21.695 16.251 -19.353 396 HA ASP 47 HA ASP 47 -24.224 16.366 -20.835 397 1HB ASP 47 2HB ASP 47 -21.487 15.670 -21.917 398 2HB ASP 47 1HB ASP 47 -22.868 16.308 -22.809 399 H GLY 48 H GLY 48 -23.804 14.110 -18.942 400 1HA GLY 48 2HA GLY 48 -24.172 11.798 -18.901 401 2HA GLY 48 1HA GLY 48 -24.858 11.997 -20.515 402 H SER 49 H SER 49 -21.587 13.008 -19.922 403 HA SER 49 HA SER 49 -20.649 10.941 -21.820 404 1HB SER 49 2HB SER 49 -19.925 13.596 -21.332 405 2HB SER 49 1HB SER 49 -18.586 12.657 -20.679 406 HG SER 49 HG SER 49 -19.733 12.228 -23.239 407 H VAL 50 H VAL 50 -19.141 9.319 -21.237 408 HA VAL 50 HA VAL 50 -18.950 8.860 -18.306 409 HB VAL 50 HB VAL 50 -18.254 6.978 -20.579 410 1HG1 VAL 50 3HG1 VAL 50 -18.478 6.721 -17.582 411 2HG1 VAL 50 2HG1 VAL 50 -18.649 5.317 -18.634 412 3HG1 VAL 50 1HG1 VAL 50 -17.144 6.234 -18.629 413 1HG2 VAL 50 3HG2 VAL 50 -20.741 7.842 -20.185 414 2HG2 VAL 50 2HG2 VAL 50 -20.418 6.139 -20.510 415 3HG2 VAL 50 1HG2 VAL 50 -20.687 6.684 -18.855 416 OH TYR 51 OH TYR 51 -9.322 11.673 -16.304 417 H TYR 51 H TYR 51 -17.017 8.930 -17.246 418 HA TYR 51 HA TYR 51 -14.493 8.911 -18.800 419 1HB TYR 51 2HB TYR 51 -14.955 11.277 -18.699 420 2HB TYR 51 1HB TYR 51 -15.392 11.175 -16.996 421 HD1 TYR 51 HD1 TYR 51 -12.513 9.734 -18.918 422 HD2 TYR 51 HD2 TYR 51 -13.795 12.343 -15.756 423 HE1 TYR 51 HE1 TYR 51 -10.147 10.125 -18.281 424 HE2 TYR 51 HE2 TYR 51 -11.432 12.734 -15.119 425 HH TYR 51 HH TYR 51 -8.928 10.824 -16.089 426 H ALA 52 H ALA 52 -14.472 6.796 -17.641 427 HA ALA 52 HA ALA 52 -14.298 6.813 -14.725 428 1HB ALA 52 2HB ALA 52 -15.120 4.874 -16.188 429 2HB ALA 52 1HB ALA 52 -13.422 4.578 -16.565 430 3HB ALA 52 3HB ALA 52 -13.991 4.457 -14.899 431 H GLU 53 H GLU 53 -12.370 6.306 -13.522 432 HA GLU 53 HA GLU 53 -9.814 6.669 -15.010 433 1HB GLU 53 2HB GLU 53 -11.011 8.463 -13.015 434 2HB GLU 53 1HB GLU 53 -9.355 7.989 -12.634 435 1HG GLU 53 2HG GLU 53 -9.326 8.516 -15.387 436 2HG GLU 53 1HG GLU 53 -10.312 9.804 -14.692 437 H GLU 54 H GLU 54 -7.952 5.901 -13.816 438 HA GLU 54 HA GLU 54 -8.641 3.936 -11.666 439 1HB GLU 54 2HB GLU 54 -8.069 2.827 -13.837 440 2HB GLU 54 1HB GLU 54 -6.506 3.645 -13.809 441 1HG GLU 54 2HG GLU 54 -5.766 1.830 -12.676 442 2HG GLU 54 1HG GLU 54 -6.633 2.506 -11.295 443 H VAL 55 H VAL 55 -7.769 4.771 -9.816 444 HA VAL 55 HA VAL 55 -5.021 5.919 -10.009 445 HB VAL 55 HB VAL 55 -6.729 7.084 -7.904 446 1HG1 VAL 55 2HG1 VAL 55 -4.344 7.692 -8.892 447 2HG1 VAL 55 1HG1 VAL 55 -5.302 8.589 -10.070 448 3HG1 VAL 55 3HG1 VAL 55 -5.438 8.966 -8.354 449 1HG2 VAL 55 3HG2 VAL 55 -8.329 6.807 -9.865 450 2HG2 VAL 55 2HG2 VAL 55 -8.065 8.472 -9.345 451 3HG2 VAL 55 1HG2 VAL 55 -7.254 7.859 -10.788 452 H LYS 56 H LYS 56 -3.858 4.341 -9.016 453 HA LYS 56 HA LYS 56 -4.542 3.717 -6.208 454 1HB LYS 56 2HB LYS 56 -5.629 1.870 -7.089 455 2HB LYS 56 1HB LYS 56 -4.584 1.800 -8.504 456 1HG LYS 56 2HG LYS 56 -3.447 1.229 -5.776 457 2HG LYS 56 1HG LYS 56 -4.334 -0.026 -6.639 458 1HD LYS 56 2HD LYS 56 -2.423 1.356 -8.360 459 2HD LYS 56 1HD LYS 56 -1.642 0.587 -6.979 460 1HE LYS 56 2HE LYS 56 -2.558 -1.556 -7.538 461 2HE LYS 56 1HE LYS 56 -3.649 -0.849 -8.731 462 1HZ LYS 56 2HZ LYS 56 -1.119 -0.027 -9.443 463 2HZ LYS 56 1HZ LYS 56 -0.953 -1.670 -9.040 464 3HZ LYS 56 3HZ LYS 56 -2.071 -1.196 -10.226 465 HA PRO 57 HA PRO 57 -0.139 4.115 -6.028 466 1HB PRO 57 2HB PRO 57 0.147 3.348 -3.406 467 2HB PRO 57 1HB PRO 57 -0.445 4.943 -3.904 468 1HG PRO 57 2HG PRO 57 -1.976 2.631 -2.802 469 2HG PRO 57 1HG PRO 57 -2.337 4.363 -2.707 470 1HD PRO 57 2HD PRO 57 -3.558 2.520 -4.461 471 2HD PRO 57 1HD PRO 57 -3.638 4.289 -4.592 472 H PHE 58 H PHE 58 1.626 2.750 -6.295 473 HA PHE 58 HA PHE 58 1.080 -0.173 -6.185 474 1HB PHE 58 2HB PHE 58 1.966 1.004 -8.290 475 2HB PHE 58 1HB PHE 58 3.484 1.188 -7.414 476 HD1 PHE 58 HD1 PHE 58 4.668 -0.876 -6.548 477 HD2 PHE 58 HD2 PHE 58 1.354 -1.071 -9.273 478 HE1 PHE 58 HE1 PHE 58 5.293 -3.201 -7.143 479 HE2 PHE 58 HE2 PHE 58 1.979 -3.397 -9.867 480 HZ PHE 58 HZ PHE 58 3.950 -4.461 -8.802 481 HA PRO 59 HA PRO 59 1.979 -1.929 -6.104 482 1HB PRO 59 2HB PRO 59 2.101 -3.933 -4.234 483 2HB PRO 59 1HB PRO 59 3.433 -3.547 -5.337 484 1HG PRO 59 2HG PRO 59 3.192 -2.984 -2.425 485 2HG PRO 59 1HG PRO 59 4.648 -3.159 -3.417 486 1HD PRO 59 2HD PRO 59 3.491 -0.716 -2.526 487 2HD PRO 59 1HD PRO 59 4.802 -0.897 -3.711 488 H SER 60 H SER 60 0.280 -3.771 -4.848 489 HA SER 60 HA SER 60 -2.104 -2.366 -4.447 490 1HB SER 60 2HB SER 60 -1.316 -5.047 -4.331 491 2HB SER 60 1HB SER 60 -1.995 -4.721 -2.738 492 HG SER 60 HG SER 60 -3.202 -4.225 -5.263 493 H ASN 61 H ASN 61 -3.326 -1.955 -2.441 494 HA ASN 61 HA ASN 61 -1.571 -0.828 -0.365 495 1HB ASN 61 2HB ASN 61 -3.783 0.186 -1.369 496 2HB ASN 61 1HB ASN 61 -4.570 -0.859 -0.187 497 1HD2 ASN 61 2HD2 ASN 61 -3.939 2.364 1.543 498 2HD2 ASN 61 1HD2 ASN 61 -4.910 1.830 0.258 499 H LYS 62 H LYS 62 -1.307 -3.585 -0.374 500 HA LYS 62 HA LYS 62 -1.500 -5.476 1.009 501 1HB LYS 62 2HB LYS 62 -0.791 -3.491 2.595 502 2HB LYS 62 1HB LYS 62 -2.431 -3.669 3.220 503 1HG LYS 62 2HG LYS 62 -2.041 -5.831 4.006 504 2HG LYS 62 1HG LYS 62 -0.702 -6.102 2.890 505 1HD LYS 62 2HD LYS 62 0.407 -5.768 4.929 506 2HD LYS 62 1HD LYS 62 0.457 -4.160 4.204 507 1HE LYS 62 2HE LYS 62 -0.278 -3.810 6.442 508 2HE LYS 62 1HE LYS 62 -1.735 -3.700 5.454 509 1HZ LYS 62 1HZ LYS 62 -0.822 -6.149 6.863 510 2HZ LYS 62 3HZ LYS 62 -2.031 -5.101 7.428 511 3HZ LYS 62 2HZ LYS 62 -2.267 -5.969 5.986 512 H LYS 63 H LYS 63 -3.438 -6.093 -0.278 513 HA LYS 63 HA LYS 63 -5.984 -5.710 1.242 514 1HB LYS 63 2HB LYS 63 -5.709 -5.000 -1.262 515 2HB LYS 63 1HB LYS 63 -5.854 -6.728 -1.586 516 1HG LYS 63 2HG LYS 63 -8.060 -6.791 -0.986 517 2HG LYS 63 1HG LYS 63 -7.849 -5.593 0.294 518 1HD LYS 63 2HD LYS 63 -7.495 -3.896 -1.628 519 2HD LYS 63 1HD LYS 63 -8.207 -5.131 -2.666 520 1HE LYS 63 2HE LYS 63 -10.289 -4.743 -1.870 521 2HE LYS 63 1HE LYS 63 -9.728 -4.717 -0.198 522 1HZ LYS 63 1HZ LYS 63 -8.768 -2.443 -1.553 523 2HZ LYS 63 3HZ LYS 63 -10.445 -2.551 -1.781 524 3HZ LYS 63 2HZ LYS 63 -9.804 -2.522 -0.208 525 H THR 64 H THR 64 -7.239 -7.549 1.739 526 HA THR 64 HA THR 64 -5.940 -10.187 1.195 527 HB THR 64 HB THR 64 -6.761 -10.892 3.464 528 HG1 THR 64 HG1 THR 64 -7.003 -8.719 4.735 529 1HG2 THR 64 2HG2 THR 64 -4.420 -9.939 2.908 530 2HG2 THR 64 1HG2 THR 64 -4.976 -8.477 3.724 531 3HG2 THR 64 3HG2 THR 64 -4.899 -10.004 4.604 532 H THR 65 H THR 65 -7.315 -11.619 0.249 533 HA THR 65 HA THR 65 -10.248 -11.058 0.461 534 HB THR 65 HB THR 65 -9.611 -12.658 -1.844 535 HG1 THR 65 HG1 THR 65 -8.309 -11.191 -2.922 536 1HG2 THR 65 1HG2 THR 65 -11.017 -10.158 -1.129 537 2HG2 THR 65 3HG2 THR 65 -10.451 -10.251 -2.796 538 3HG2 THR 65 2HG2 THR 65 -11.538 -11.489 -2.163 539 H ALA 66 HN ALA 66 -11.230 -13.388 -0.607 540 HA ALA 66 HA ALA 66 -10.970 -15.232 1.569 541 1HB ALA 66 1HB ALA 66 -12.582 -14.967 -0.776 542 2HB ALA 66 3HB ALA 66 -11.912 -16.597 -0.761 543 3HB ALA 66 2HB ALA 66 -12.851 -16.017 0.615 544 1H MET 1 2H MET 1 11.940 18.937 -5.073 545 2H MET 1 1H MET 1 12.077 20.263 -6.127 546 3H MET 1 3H MET 1 11.207 18.888 -6.605 547 HA MET 1 HA MET 1 13.346 18.898 -7.690 548 1HB MET 1 2HB MET 1 15.388 18.720 -6.272 549 2HB MET 1 1HB MET 1 14.554 20.260 -6.052 550 1HG MET 1 2HG MET 1 13.529 19.485 -4.000 551 2HG MET 1 1HG MET 1 14.151 17.853 -4.254 552 1HE MET 1 2HE MET 1 14.362 19.407 -1.695 553 2HE MET 1 1HE MET 1 15.257 17.891 -1.759 554 3HE MET 1 3HE MET 1 16.041 19.358 -1.160 555 H GLU 2 H GLU 2 11.338 17.030 -7.066 556 HA GLU 2 HA GLU 2 12.706 14.689 -5.883 557 1HB GLU 2 2HB GLU 2 9.933 15.484 -6.420 558 2HB GLU 2 1HB GLU 2 10.269 13.806 -6.851 559 1HG GLU 2 2HG GLU 2 9.609 13.784 -4.549 560 2HG GLU 2 1HG GLU 2 11.360 13.564 -4.564 561 H GLN 3 H GLN 3 12.789 12.643 -7.102 562 HA GLN 3 HA GLN 3 13.573 13.115 -9.896 563 1HB GLN 3 2HB GLN 3 13.936 10.977 -7.881 564 2HB GLN 3 1HB GLN 3 13.788 10.418 -9.548 565 1HG GLN 3 2HG GLN 3 15.821 11.237 -10.113 566 2HG GLN 3 1HG GLN 3 15.521 12.766 -9.286 567 1HE2 GLN 3 2HE2 GLN 3 18.233 11.237 -7.339 568 2HE2 GLN 3 1HE2 GLN 3 18.026 12.005 -8.838 569 NH1 ARG 4 NH2 ARG 4 5.514 14.042 -12.105 570 NH2 ARG 4 NH1 ARG 4 4.717 13.379 -10.098 571 H ARG 4 H ARG 4 12.075 12.989 -11.500 572 HA ARG 4 HA ARG 4 9.670 11.279 -11.025 573 1HB ARG 4 2HB ARG 4 10.025 13.604 -12.943 574 2HB ARG 4 1HB ARG 4 8.532 12.702 -12.677 575 1HG ARG 4 2HG ARG 4 9.973 14.059 -10.399 576 2HG ARG 4 1HG ARG 4 8.809 14.929 -11.399 577 1HD ARG 4 2HD ARG 4 7.672 12.399 -10.676 578 2HD ARG 4 1HD ARG 4 8.272 13.183 -9.214 579 HE ARG 4 HE ARG 4 6.859 15.157 -9.842 580 1HH1 ARG 4 1HH2 ARG 4 6.248 14.434 -12.659 581 2HH1 ARG 4 2HH2 ARG 4 4.658 13.758 -12.539 582 1HH2 ARG 4 2HH1 ARG 4 4.841 13.264 -9.112 583 2HH2 ARG 4 1HH1 ARG 4 3.862 13.096 -10.530 584 H ILE 5 H ILE 5 9.972 9.329 -12.007 585 HA ILE 5 HA ILE 5 10.757 9.330 -14.869 586 HB ILE 5 HB ILE 5 11.978 7.361 -12.930 587 1HG1 ILE 5 2HG1 ILE 5 14.058 8.955 -13.609 588 2HG1 ILE 5 1HG1 ILE 5 12.764 10.153 -13.587 589 1HG2 ILE 5 3HG2 ILE 5 12.569 8.207 -15.780 590 2HG2 ILE 5 2HG2 ILE 5 13.606 7.133 -14.838 591 3HG2 ILE 5 1HG2 ILE 5 11.961 6.642 -15.242 592 1HD1 ILE 5 3HD1 ILE 5 12.801 8.251 -11.311 593 2HD1 ILE 5 2HD1 ILE 5 14.126 9.413 -11.366 594 3HD1 ILE 5 1HD1 ILE 5 12.457 9.981 -11.327 595 H THR 6 H THR 6 9.797 7.606 -16.028 596 HA THR 6 HA THR 6 7.458 6.420 -14.758 597 HB THR 6 HB THR 6 8.527 5.585 -17.445 598 HG1 THR 6 HG1 THR 6 8.523 7.629 -17.920 599 1HG2 THR 6 2HG2 THR 6 6.345 4.781 -16.140 600 2HG2 THR 6 1HG2 THR 6 5.685 6.263 -16.831 601 3HG2 THR 6 3HG2 THR 6 6.337 5.011 -17.888 602 H LEU 7 H LEU 7 7.077 4.135 -14.532 603 HA LEU 7 HA LEU 7 9.217 2.648 -13.390 604 1HB LEU 7 2HB LEU 7 6.833 2.196 -12.910 605 2HB LEU 7 1HB LEU 7 6.605 1.646 -14.568 606 HG LEU 7 HG LEU 7 8.433 -0.072 -14.120 607 1HD1 LEU 7 3HD1 LEU 7 8.240 1.286 -11.497 608 2HD1 LEU 7 2HD1 LEU 7 8.279 -0.476 -11.427 609 3HD1 LEU 7 1HD1 LEU 7 9.590 0.405 -12.212 610 1HD2 LEU 7 1HD2 LEU 7 5.748 -0.044 -12.753 611 2HD2 LEU 7 3HD2 LEU 7 6.252 -0.948 -14.182 612 3HD2 LEU 7 2HD2 LEU 7 6.815 -1.438 -12.583 613 H LYS 8 H LYS 8 8.363 3.172 -16.680 614 HA LYS 8 HA LYS 8 9.632 0.698 -17.635 615 1HB LYS 8 2HB LYS 8 8.950 1.374 -19.814 616 2HB LYS 8 1HB LYS 8 7.631 1.845 -18.742 617 1HG LYS 8 2HG LYS 8 8.553 4.142 -18.635 618 2HG LYS 8 1HG LYS 8 9.843 3.666 -19.741 619 1HD LYS 8 2HD LYS 8 8.272 3.233 -21.512 620 2HD LYS 8 1HD LYS 8 6.902 3.412 -20.416 621 1HE LYS 8 2HE LYS 8 7.335 5.765 -20.136 622 2HE LYS 8 1HE LYS 8 8.870 5.638 -20.995 623 1HZ LYS 8 1HZ LYS 8 7.281 4.674 -22.844 624 2HZ LYS 8 3HZ LYS 8 6.145 5.647 -22.044 625 3HZ LYS 8 2HZ LYS 8 7.556 6.342 -22.683 626 H ASP 9 H ASP 9 10.403 4.155 -17.492 627 HA ASP 9 HA ASP 9 12.880 3.822 -18.991 628 1HB ASP 9 2HB ASP 9 11.818 6.096 -17.294 629 2HB ASP 9 1HB ASP 9 13.324 6.175 -18.210 630 OH TYR 10 OH TYR 10 16.380 2.529 -8.804 631 H TYR 10 H TYR 10 11.972 3.903 -15.589 632 HA TYR 10 HA TYR 10 14.736 3.958 -14.654 633 1HB TYR 10 2HB TYR 10 12.902 4.876 -13.280 634 2HB TYR 10 1HB TYR 10 12.163 3.278 -13.194 635 HD1 TYR 10 HD1 TYR 10 13.730 1.350 -12.320 636 HD2 TYR 10 HD2 TYR 10 14.396 5.530 -11.604 637 HE1 TYR 10 HE1 TYR 10 15.159 0.785 -10.371 638 HE2 TYR 10 HE2 TYR 10 15.826 4.969 -9.656 639 HH TYR 10 HH TYR 10 16.652 3.352 -8.389 640 H ALA 11 H ALA 11 12.331 1.501 -15.385 641 HA ALA 11 HA ALA 11 13.930 -0.647 -14.174 642 1HB ALA 11 1HB ALA 11 11.341 -0.536 -15.709 643 2HB ALA 11 3HB ALA 11 12.139 -2.076 -15.390 644 3HB ALA 11 2HB ALA 11 11.617 -1.059 -14.047 645 H MET 12 H MET 12 13.408 0.717 -17.391 646 HA MET 12 HA MET 12 14.883 -1.515 -18.642 647 1HB MET 12 2HB MET 12 13.382 0.874 -19.644 648 2HB MET 12 1HB MET 12 14.589 0.132 -20.693 649 1HG MET 12 2HG MET 12 13.296 -1.685 -21.079 650 2HG MET 12 1HG MET 12 12.844 -1.828 -19.381 651 1HE MET 12 2HE MET 12 11.491 -2.296 -22.073 652 2HE MET 12 1HE MET 12 9.944 -1.472 -22.246 653 3HE MET 12 3HE MET 12 11.408 -0.774 -22.954 654 NH1 ARG 13 NH1 ARG 13 16.765 8.245 -19.560 655 NH2 ARG 13 NH2 ARG 13 16.177 8.351 -17.380 656 H ARG 13 H ARG 13 15.438 1.799 -17.626 657 HA ARG 13 HA ARG 13 18.050 1.877 -19.001 658 1HB ARG 13 2HB ARG 13 16.705 3.873 -17.156 659 2HB ARG 13 1HB ARG 13 18.214 4.150 -18.025 660 1HG ARG 13 2HG ARG 13 16.784 3.453 -20.128 661 2HG ARG 13 1HG ARG 13 15.426 3.925 -19.105 662 1HD ARG 13 2HD ARG 13 17.803 5.646 -19.866 663 2HD ARG 13 1HD ARG 13 16.131 5.863 -20.391 664 HE ARG 13 HE ARG 13 16.316 5.897 -17.510 665 1HH1 ARG 13 2HH1 ARG 13 16.993 7.707 -20.371 666 2HH1 ARG 13 1HH1 ARG 13 16.756 9.244 -19.611 667 1HH2 ARG 13 1HH2 ARG 13 15.954 7.893 -16.520 668 2HH2 ARG 13 2HH2 ARG 13 16.170 9.350 -17.431 669 H PHE 14 H PHE 14 16.739 1.264 -15.813 670 HA PHE 14 HA PHE 14 19.540 1.051 -14.780 671 1HB PHE 14 2HB PHE 14 17.012 1.398 -13.147 672 2HB PHE 14 1HB PHE 14 18.677 1.509 -12.572 673 HD1 PHE 14 HD2 PHE 14 19.853 3.014 -14.920 674 HD2 PHE 14 HD1 PHE 14 16.242 3.613 -12.680 675 HE1 PHE 14 HE2 PHE 14 19.894 5.425 -15.501 676 HE2 PHE 14 HE1 PHE 14 16.280 6.024 -13.259 677 HZ PHE 14 HZ PHE 14 18.107 6.930 -14.670 678 H GLY 15 H GLY 15 17.305 -0.850 -16.078 679 1HA GLY 15 2HA GLY 15 17.236 -3.227 -16.031 680 2HA GLY 15 1HA GLY 15 18.199 -3.198 -14.552 681 H GLN 16 H GLN 16 15.370 -4.287 -15.505 682 HA GLN 16 HA GLN 16 13.423 -3.098 -13.790 683 1HB GLN 16 2HB GLN 16 13.529 -6.011 -14.617 684 2HB GLN 16 1HB GLN 16 12.098 -5.071 -14.190 685 1HG GLN 16 2HG GLN 16 11.907 -4.281 -16.290 686 2HG GLN 16 1HG GLN 16 13.592 -3.762 -16.303 687 1HE2 GLN 16 2HE2 GLN 16 13.908 -6.244 -18.855 688 2HE2 GLN 16 1HE2 GLN 16 13.750 -4.579 -18.567 689 H THR 17 H THR 17 15.926 -5.492 -13.200 690 HA THR 17 HA THR 17 14.946 -6.485 -10.704 691 HB THR 17 HB THR 17 17.885 -6.178 -11.046 692 HG1 THR 17 HG1 THR 17 17.665 -7.998 -12.603 693 1HG2 THR 17 3HG2 THR 17 15.903 -8.147 -10.039 694 2HG2 THR 17 2HG2 THR 17 17.382 -8.810 -10.734 695 3HG2 THR 17 1HG2 THR 17 17.471 -7.688 -9.376 696 H LYS 18 H LYS 18 17.357 -3.915 -11.366 697 HA LYS 18 HA LYS 18 17.761 -3.086 -8.704 698 1HB LYS 18 2HB LYS 18 17.797 -1.560 -11.313 699 2HB LYS 18 1HB LYS 18 18.186 -0.785 -9.777 700 1HG LYS 18 2HG LYS 18 19.994 -2.376 -9.386 701 2HG LYS 18 1HG LYS 18 19.568 -3.259 -10.853 702 1HD LYS 18 2HD LYS 18 19.857 -0.577 -11.656 703 2HD LYS 18 1HD LYS 18 21.209 -0.888 -10.568 704 1HE LYS 18 2HE LYS 18 21.623 -3.026 -11.886 705 2HE LYS 18 1HE LYS 18 20.461 -2.420 -13.067 706 1HZ LYS 18 2HZ LYS 18 22.846 -0.897 -12.173 707 2HZ LYS 18 1HZ LYS 18 22.822 -1.875 -13.563 708 3HZ LYS 18 3HZ LYS 18 21.805 -0.521 -13.463 709 H THR 19 H THR 19 15.186 -2.240 -10.973 710 HA THR 19 HA THR 19 13.964 -0.217 -9.339 711 HB THR 19 HB THR 19 12.430 -1.983 -11.242 712 HG1 THR 19 HG1 THR 19 14.585 -0.332 -11.742 713 1HG2 THR 19 2HG2 THR 19 12.198 0.728 -10.059 714 2HG2 THR 19 1HG2 THR 19 11.743 0.587 -11.757 715 3HG2 THR 19 3HG2 THR 19 10.933 -0.402 -10.544 716 H ALA 20 H ALA 20 13.697 -3.727 -9.444 717 HA ALA 20 HA ALA 20 11.383 -3.813 -7.668 718 1HB ALA 20 3HB ALA 20 12.734 -5.643 -9.330 719 2HB ALA 20 2HB ALA 20 12.941 -6.256 -7.689 720 3HB ALA 20 1HB ALA 20 11.322 -5.969 -8.325 721 H LYS 21 H LYS 21 14.845 -3.687 -7.298 722 HA LYS 21 HA LYS 21 14.861 -4.694 -4.564 723 1HB LYS 21 2HB LYS 21 16.804 -3.935 -6.538 724 2HB LYS 21 1HB LYS 21 17.146 -3.074 -5.037 725 1HG LYS 21 2HG LYS 21 16.905 -5.292 -3.830 726 2HG LYS 21 1HG LYS 21 16.867 -6.063 -5.416 727 1HD LYS 21 2HD LYS 21 19.062 -4.437 -5.656 728 2HD LYS 21 1HD LYS 21 19.143 -4.893 -3.954 729 1HE LYS 21 2HE LYS 21 18.761 -6.897 -6.189 730 2HE LYS 21 1HE LYS 21 20.340 -6.476 -5.526 731 1HZ LYS 21 1HZ LYS 21 19.535 -7.142 -3.333 732 2HZ LYS 21 3HZ LYS 21 18.046 -7.595 -4.008 733 3HZ LYS 21 2HZ LYS 21 19.462 -8.428 -4.441 734 H ASP 22 H ASP 22 14.852 -1.492 -6.088 735 HA ASP 22 HA ASP 22 15.048 -0.078 -3.551 736 1HB ASP 22 2HB ASP 22 14.357 0.755 -6.373 737 2HB ASP 22 1HB ASP 22 14.247 1.885 -5.023 738 H LEU 23 H LEU 23 12.442 -1.218 -5.620 739 HA LEU 23 HA LEU 23 10.400 0.152 -3.993 740 1HB LEU 23 2HB LEU 23 10.332 -1.622 -6.433 741 2HB LEU 23 1HB LEU 23 8.855 -1.246 -5.544 742 HG LEU 23 HG LEU 23 10.712 0.970 -6.369 743 1HD1 LEU 23 3HD1 LEU 23 8.630 -0.413 -8.082 744 2HD1 LEU 23 2HD1 LEU 23 9.272 1.192 -8.434 745 3HD1 LEU 23 1HD1 LEU 23 10.344 -0.208 -8.444 746 1HD2 LEU 23 3HD2 LEU 23 7.713 0.749 -5.956 747 2HD2 LEU 23 2HD2 LEU 23 8.861 1.452 -4.817 748 3HD2 LEU 23 1HD2 LEU 23 8.575 2.228 -6.375 749 H GLY 24 H GLY 24 12.063 -2.860 -4.048 750 1HA GLY 24 2HA GLY 24 11.906 -4.681 -2.564 751 2HA GLY 24 1HA GLY 24 10.705 -3.762 -1.654 752 H VAL 25 H VAL 25 10.335 -4.372 -5.082 753 HA VAL 25 HA VAL 25 7.893 -5.950 -4.462 754 HB VAL 25 HB VAL 25 8.429 -5.379 -7.291 755 1HG1 VAL 25 2HG1 VAL 25 6.265 -6.012 -5.829 756 2HG1 VAL 25 1HG1 VAL 25 6.116 -4.256 -5.788 757 3HG1 VAL 25 3HG1 VAL 25 6.149 -5.103 -7.335 758 1HG2 VAL 25 1HG2 VAL 25 8.375 -3.147 -5.258 759 2HG2 VAL 25 3HG2 VAL 25 9.448 -3.347 -6.644 760 3HG2 VAL 25 2HG2 VAL 25 7.760 -2.901 -6.893 761 OH TYR 26 OH TYR 26 4.037 -8.719 -3.046 762 H TYR 26 H TYR 26 7.609 -7.472 -6.707 763 HA TYR 26 HA TYR 26 9.866 -9.392 -6.413 764 1HB TYR 26 2HB TYR 26 7.447 -10.200 -7.929 765 2HB TYR 26 1HB TYR 26 8.357 -11.086 -6.706 766 HD1 TYR 26 HD2 TYR 26 8.250 -9.961 -4.264 767 HD2 TYR 26 HD1 TYR 26 5.308 -9.476 -7.358 768 HE1 TYR 26 HE2 TYR 26 6.557 -9.345 -2.558 769 HE2 TYR 26 HE1 TYR 26 3.617 -8.859 -5.651 770 HH TYR 26 HH TYR 26 4.455 -8.769 -2.183 771 H GLN 27 H GLN 27 10.510 -10.563 -8.452 772 HA GLN 27 HA GLN 27 11.154 -8.665 -10.527 773 1HB GLN 27 2HB GLN 27 11.609 -11.557 -10.027 774 2HB GLN 27 1HB GLN 27 11.647 -11.048 -11.715 775 1HG GLN 27 2HG GLN 27 13.203 -9.145 -10.894 776 2HG GLN 27 1HG GLN 27 13.396 -10.124 -9.439 777 1HE2 GLN 27 2HE2 GLN 27 16.112 -11.368 -11.522 778 2HE2 GLN 27 1HE2 GLN 27 15.755 -10.076 -10.481 779 H SER 28 H SER 28 8.597 -11.028 -10.091 780 HA SER 28 HA SER 28 7.701 -10.859 -12.870 781 1HB SER 28 2HB SER 28 7.317 -12.914 -11.591 782 2HB SER 28 1HB SER 28 6.374 -12.019 -10.400 783 HG SER 28 HG SER 28 5.654 -12.987 -12.839 784 H ALA 29 H ALA 29 7.375 -8.897 -10.115 785 HA ALA 29 HA ALA 29 4.731 -7.836 -10.913 786 1HB ALA 29 3HB ALA 29 6.633 -7.264 -8.633 787 2HB ALA 29 2HB ALA 29 5.257 -6.212 -8.969 788 3HB ALA 29 1HB ALA 29 4.993 -7.906 -8.551 789 H ILE 30 H ILE 30 8.134 -7.014 -10.975 790 HA ILE 30 HA ILE 30 7.690 -4.316 -11.988 791 HB ILE 30 HB ILE 30 10.203 -6.016 -11.986 792 1HG1 ILE 30 2HG1 ILE 30 9.139 -5.658 -9.726 793 2HG1 ILE 30 1HG1 ILE 30 10.742 -4.940 -9.882 794 1HG2 ILE 30 1HG2 ILE 30 9.706 -3.046 -12.302 795 2HG2 ILE 30 3HG2 ILE 30 11.298 -3.754 -12.035 796 3HG2 ILE 30 2HG2 ILE 30 10.396 -4.142 -13.499 797 1HD1 ILE 30 3HD1 ILE 30 8.364 -3.267 -10.591 798 2HD1 ILE 30 2HD1 ILE 30 8.720 -3.537 -8.885 799 3HD1 ILE 30 1HD1 ILE 30 9.922 -2.774 -9.928 800 H ASN 31 H ASN 31 8.466 -7.495 -13.316 801 HA ASN 31 HA ASN 31 8.802 -6.501 -16.037 802 1HB ASN 31 2HB ASN 31 9.345 -8.903 -14.685 803 2HB ASN 31 1HB ASN 31 8.095 -9.313 -15.861 804 1HD2 ASN 31 2HD2 ASN 31 10.554 -9.490 -18.368 805 2HD2 ASN 31 1HD2 ASN 31 9.221 -10.214 -17.607 806 H LYS 32 H LYS 32 6.178 -7.958 -14.136 807 HA LYS 32 HA LYS 32 4.376 -8.154 -16.401 808 1HB LYS 32 2HB LYS 32 2.714 -8.797 -14.824 809 2HB LYS 32 1HB LYS 32 4.225 -9.460 -14.200 810 1HG LYS 32 2HG LYS 32 4.472 -7.491 -12.727 811 2HG LYS 32 1HG LYS 32 2.939 -6.860 -13.332 812 1HD LYS 32 2HD LYS 32 1.927 -9.116 -12.589 813 2HD LYS 32 1HD LYS 32 3.414 -9.333 -11.667 814 1HE LYS 32 2HE LYS 32 3.003 -7.141 -10.552 815 2HE LYS 32 1HE LYS 32 1.468 -7.021 -11.413 816 1HZ LYS 32 2HZ LYS 32 2.137 -9.369 -9.744 817 2HZ LYS 32 1HZ LYS 32 1.423 -7.979 -9.078 818 3HZ LYS 32 3HZ LYS 32 0.609 -8.853 -10.283 819 H ALA 33 H ALA 33 5.180 -5.673 -14.052 820 HA ALA 33 HA ALA 33 2.885 -3.997 -14.556 821 1HB ALA 33 2HB ALA 33 4.340 -3.716 -12.562 822 2HB ALA 33 1HB ALA 33 5.658 -3.204 -13.616 823 3HB ALA 33 3HB ALA 33 4.200 -2.221 -13.484 824 H ILE 34 H ILE 34 6.185 -4.085 -15.870 825 HA ILE 34 HA ILE 34 5.753 -1.888 -17.702 826 HB ILE 34 HB ILE 34 7.818 -4.097 -17.557 827 1HG1 ILE 34 2HG1 ILE 34 8.459 -1.191 -17.416 828 2HG1 ILE 34 1HG1 ILE 34 7.576 -1.871 -16.048 829 1HG2 ILE 34 1HG2 ILE 34 7.142 -2.306 -19.779 830 2HG2 ILE 34 3HG2 ILE 34 8.821 -2.154 -19.261 831 3HG2 ILE 34 2HG2 ILE 34 8.190 -3.724 -19.760 832 1HD1 ILE 34 2HD1 ILE 34 9.439 -3.799 -16.378 833 2HD1 ILE 34 1HD1 ILE 34 10.351 -2.407 -16.964 834 3HD1 ILE 34 3HD1 ILE 34 9.685 -2.402 -15.331 835 H HIS 35 H HIS 35 5.183 -5.339 -17.787 836 HA HIS 35 HA HIS 35 4.867 -5.606 -20.635 837 1HB HIS 35 2HB HIS 35 4.024 -7.198 -18.232 838 2HB HIS 35 1HB HIS 35 3.341 -7.595 -19.810 839 HD1 HIS 35 HD1 HIS 35 5.871 -8.823 -17.818 840 HD2 HIS 35 HD2 HIS 35 5.895 -7.445 -21.753 841 HE1 HIS 35 HE1 HIS 35 7.917 -9.832 -18.917 842 H ALA 36 H ALA 36 2.804 -4.404 -18.085 843 HA ALA 36 HA ALA 36 0.375 -4.532 -19.735 844 1HB ALA 36 2HB ALA 36 0.730 -4.519 -17.054 845 2HB ALA 36 1HB ALA 36 0.464 -2.796 -17.322 846 3HB ALA 36 3HB ALA 36 -0.758 -3.965 -17.823 847 H GLY 37 H GLY 37 3.054 -2.473 -19.479 848 1HA GLY 37 2HA GLY 37 3.429 -0.245 -20.154 849 2HA GLY 37 1HA GLY 37 2.355 -0.693 -21.481 850 NH1 ARG 38 NH1 ARG 38 -4.670 -1.802 -18.155 851 NH2 ARG 38 NH2 ARG 38 -6.300 -1.301 -16.674 852 H ARG 38 H ARG 38 1.201 -0.728 -18.183 853 HA ARG 38 HA ARG 38 -0.922 1.139 -18.846 854 1HB ARG 38 2HB ARG 38 -0.154 -0.546 -16.548 855 2HB ARG 38 1HB ARG 38 -0.959 0.961 -16.108 856 1HG ARG 38 2HG ARG 38 -2.442 0.037 -18.274 857 2HG ARG 38 1HG ARG 38 -2.070 -1.429 -17.364 858 1HD ARG 38 2HD ARG 38 -2.727 0.261 -15.333 859 2HD ARG 38 1HD ARG 38 -3.773 0.871 -16.616 860 HE ARG 38 HE ARG 38 -4.059 -1.683 -15.255 861 1HH1 ARG 38 2HH1 ARG 38 -3.698 -1.886 -18.379 862 2HH1 ARG 38 1HH1 ARG 38 -5.361 -2.017 -18.844 863 1HH2 ARG 38 1HH2 ARG 38 -6.580 -0.998 -15.762 864 2HH2 ARG 38 2HH2 ARG 38 -6.993 -1.515 -17.363 865 H LYS 39 H LYS 39 -1.182 2.807 -16.693 866 HA LYS 39 HA LYS 39 1.065 4.685 -17.131 867 1HB LYS 39 2HB LYS 39 -1.753 4.908 -16.183 868 2HB LYS 39 1HB LYS 39 -0.597 6.080 -15.551 869 1HG LYS 39 2HG LYS 39 -1.780 6.762 -17.704 870 2HG LYS 39 1HG LYS 39 -0.018 6.831 -17.750 871 1HD LYS 39 2HD LYS 39 0.161 4.997 -19.143 872 2HD LYS 39 1HD LYS 39 -1.333 4.270 -18.550 873 1HE LYS 39 2HE LYS 39 -1.958 5.002 -20.683 874 2HE LYS 39 1HE LYS 39 -2.479 6.344 -19.663 875 1HZ LYS 39 1HZ LYS 39 -0.017 7.112 -20.134 876 2HZ LYS 39 3HZ LYS 39 -0.247 6.190 -21.539 877 3HZ LYS 39 2HZ LYS 39 -1.290 7.486 -21.195 878 H ILE 40 H ILE 40 2.499 3.254 -15.863 879 HA ILE 40 HA ILE 40 2.055 3.530 -12.924 880 HB ILE 40 HB ILE 40 3.942 1.694 -14.438 881 1HG1 ILE 40 2HG1 ILE 40 1.345 1.151 -12.963 882 2HG1 ILE 40 1HG1 ILE 40 1.566 1.090 -14.711 883 1HG2 ILE 40 3HG2 ILE 40 3.325 2.075 -11.501 884 2HG2 ILE 40 2HG2 ILE 40 4.076 0.608 -12.129 885 3HG2 ILE 40 1HG2 ILE 40 4.897 2.160 -12.295 886 1HD1 ILE 40 2HD1 ILE 40 3.093 -0.632 -12.738 887 2HD1 ILE 40 1HD1 ILE 40 1.670 -1.167 -13.633 888 3HD1 ILE 40 3HD1 ILE 40 3.149 -0.745 -14.496 889 H PHE 41 H PHE 41 2.781 5.662 -12.749 890 HA PHE 41 HA PHE 41 5.358 6.480 -13.848 891 1HB PHE 41 2HB PHE 41 3.866 7.963 -11.694 892 2HB PHE 41 1HB PHE 41 4.828 8.613 -13.023 893 HD1 PHE 41 HD1 PHE 41 3.647 6.686 -15.159 894 HD2 PHE 41 HD2 PHE 41 1.841 9.230 -12.203 895 HE1 PHE 41 HE1 PHE 41 1.611 6.870 -16.558 896 HE2 PHE 41 HE2 PHE 41 -0.190 9.414 -13.609 897 HZ PHE 41 HZ PHE 41 -0.308 8.232 -15.782 898 H LEU 42 H LEU 42 7.112 7.306 -12.397 899 HA LEU 42 HA LEU 42 7.231 5.768 -9.836 900 1HB LEU 42 2HB LEU 42 8.822 5.391 -12.154 901 2HB LEU 42 1HB LEU 42 9.855 6.162 -10.952 902 HG LEU 42 HG LEU 42 9.206 4.442 -9.297 903 1HD1 LEU 42 3HD1 LEU 42 6.950 4.009 -10.357 904 2HD1 LEU 42 2HD1 LEU 42 7.790 3.093 -11.608 905 3HD1 LEU 42 1HD1 LEU 42 7.846 2.551 -9.931 906 1HD2 LEU 42 2HD2 LEU 42 10.482 3.781 -11.909 907 2HD2 LEU 42 1HD2 LEU 42 11.158 3.717 -10.281 908 3HD2 LEU 42 3HD2 LEU 42 10.096 2.428 -10.845 909 H THR 43 H THR 43 6.838 7.557 -8.510 910 HA THR 43 HA THR 43 8.467 9.999 -8.872 911 HB THR 43 HB THR 43 6.290 9.256 -6.893 912 HG1 THR 43 HG1 THR 43 5.277 11.023 -8.082 913 1HG2 THR 43 1HG2 THR 43 8.088 10.804 -5.982 914 2HG2 THR 43 3HG2 THR 43 7.613 11.955 -7.232 915 3HG2 THR 43 2HG2 THR 43 6.454 11.469 -5.995 916 H ILE 44 H ILE 44 10.562 9.169 -8.365 917 HA ILE 44 HA ILE 44 11.004 7.805 -5.811 918 HB ILE 44 HB ILE 44 12.908 8.858 -7.921 919 1HG1 ILE 44 2HG1 ILE 44 13.126 6.104 -7.738 920 2HG1 ILE 44 1HG1 ILE 44 11.400 6.375 -7.496 921 1HG2 ILE 44 2HG2 ILE 44 13.500 8.349 -5.247 922 2HG2 ILE 44 1HG2 ILE 44 13.934 6.848 -6.066 923 3HG2 ILE 44 3HG2 ILE 44 14.659 8.373 -6.576 924 1HD1 ILE 44 2HD1 ILE 44 11.743 8.038 -9.552 925 2HD1 ILE 44 1HD1 ILE 44 13.093 6.954 -9.889 926 3HD1 ILE 44 3HD1 ILE 44 11.451 6.317 -9.806 927 H ASN 45 H ASN 45 11.508 8.789 -3.908 928 HA ASN 45 HA ASN 45 11.625 11.713 -3.803 929 1HB ASN 45 2HB ASN 45 11.684 9.523 -1.721 930 2HB ASN 45 1HB ASN 45 11.957 11.213 -1.296 931 1HD2 ASN 45 2HD2 ASN 45 8.378 11.066 -0.865 932 2HD2 ASN 45 1HD2 ASN 45 9.836 10.832 -0.029 933 H ALA 46 H ALA 46 13.422 12.924 -3.115 934 HA ALA 46 HA ALA 46 15.955 12.270 -4.058 935 1HB ALA 46 2HB ALA 46 15.222 14.532 -3.264 936 2HB ALA 46 1HB ALA 46 15.424 13.967 -1.606 937 3HB ALA 46 3HB ALA 46 16.820 14.068 -2.679 938 H ASP 47 H ASP 47 14.443 11.054 -1.181 939 HA ASP 47 HA ASP 47 16.981 10.263 0.065 940 1HB ASP 47 2HB ASP 47 14.223 10.460 0.867 941 2HB ASP 47 1HB ASP 47 14.822 8.840 1.223 942 H GLY 48 H GLY 48 16.363 9.242 -2.661 943 1HA GLY 48 2HA GLY 48 16.583 7.221 -3.825 944 2HA GLY 48 1HA GLY 48 17.218 6.545 -2.322 945 H SER 49 H SER 49 14.070 8.004 -2.303 946 HA SER 49 HA SER 49 12.893 5.357 -1.683 947 1HB SER 49 2HB SER 49 12.393 8.035 -0.853 948 2HB SER 49 1HB SER 49 10.950 7.467 -1.689 949 HG SER 49 HG SER 49 12.296 5.885 0.228 950 H VAL 50 H VAL 50 10.955 4.623 -2.793 951 HA VAL 50 HA VAL 50 10.667 5.796 -5.532 952 HB VAL 50 HB VAL 50 10.154 2.884 -5.068 953 1HG1 VAL 50 2HG1 VAL 50 10.020 4.559 -7.238 954 2HG1 VAL 50 1HG1 VAL 50 11.634 3.869 -7.422 955 3HG1 VAL 50 3HG1 VAL 50 10.226 2.810 -7.340 956 1HG2 VAL 50 3HG2 VAL 50 12.388 3.421 -4.029 957 2HG2 VAL 50 2HG2 VAL 50 12.485 2.330 -5.411 958 3HG2 VAL 50 1HG2 VAL 50 12.910 4.030 -5.599 959 OH TYR 51 OH TYR 51 0.684 7.822 -4.126 960 H TYR 51 H TYR 51 8.651 6.590 -5.782 961 HA TYR 51 HA TYR 51 6.415 5.223 -4.337 962 1HB TYR 51 2HB TYR 51 6.768 7.456 -3.414 963 2HB TYR 51 1HB TYR 51 6.743 8.160 -5.031 964 HD1 TYR 51 HD1 TYR 51 4.518 5.363 -4.237 965 HD2 TYR 51 HD2 TYR 51 4.855 9.642 -4.414 966 HE1 TYR 51 HE1 TYR 51 2.050 5.561 -4.114 967 HE2 TYR 51 HE2 TYR 51 2.385 9.840 -4.292 968 HH TYR 51 HH TYR 51 0.319 6.935 -4.072 969 H ALA 52 H ALA 52 6.261 3.870 -6.307 970 HA ALA 52 HA ALA 52 5.609 5.161 -8.841 971 1HB ALA 52 1HB ALA 52 6.706 2.836 -8.466 972 2HB ALA 52 3HB ALA 52 5.059 2.270 -8.191 973 3HB ALA 52 2HB ALA 52 5.499 2.987 -9.742 974 H GLU 53 H GLU 53 3.594 5.618 -9.615 975 HA GLU 53 HA GLU 53 1.258 4.696 -7.988 976 1HB GLU 53 2HB GLU 53 1.968 7.402 -9.056 977 2HB GLU 53 1HB GLU 53 0.265 6.947 -8.969 978 1HG GLU 53 2HG GLU 53 0.301 6.738 -6.642 979 2HG GLU 53 1HG GLU 53 2.048 6.499 -6.592 980 H GLU 54 H GLU 54 -0.787 4.732 -9.254 981 HA GLU 54 HA GLU 54 -0.290 4.052 -12.125 982 1HB GLU 54 2HB GLU 54 -0.846 2.033 -10.828 983 2HB GLU 54 1HB GLU 54 -2.298 2.819 -10.207 984 1HG GLU 54 2HG GLU 54 -3.438 2.585 -12.180 985 2HG GLU 54 1HG GLU 54 -1.986 2.784 -13.162 986 H VAL 55 H VAL 55 -1.493 5.268 -13.535 987 HA VAL 55 HA VAL 55 -4.038 6.447 -12.620 988 HB VAL 55 HB VAL 55 -2.297 8.443 -13.917 989 1HG1 VAL 55 3HG1 VAL 55 -4.578 8.807 -12.894 990 2HG1 VAL 55 2HG1 VAL 55 -3.852 8.499 -11.317 991 3HG1 VAL 55 1HG1 VAL 55 -3.329 9.886 -12.273 992 1HG2 VAL 55 3HG2 VAL 55 -0.681 7.189 -12.421 993 2HG2 VAL 55 2HG2 VAL 55 -0.900 8.885 -11.992 994 3HG2 VAL 55 1HG2 VAL 55 -1.705 7.629 -11.055 995 H LYS 56 H LYS 56 -5.156 5.390 -14.242 996 HA LYS 56 HA LYS 56 -4.811 6.458 -16.958 997 1HB LYS 56 2HB LYS 56 -3.325 4.583 -17.118 998 2HB LYS 56 1HB LYS 56 -4.461 3.532 -16.275 999 1HG LYS 56 2HG LYS 56 -5.175 2.902 -18.327 1000 2HG LYS 56 1HG LYS 56 -5.948 4.482 -18.424 1001 1HD LYS 56 2HD LYS 56 -4.103 5.432 -19.590 1002 2HD LYS 56 1HD LYS 56 -3.065 4.054 -19.217 1003 1HE LYS 56 2HE LYS 56 -3.703 3.627 -21.436 1004 2HE LYS 56 1HE LYS 56 -4.855 2.663 -20.511 1005 1HZ LYS 56 1HZ LYS 56 -5.522 5.447 -21.163 1006 2HZ LYS 56 3HZ LYS 56 -5.673 4.266 -22.371 1007 3HZ LYS 56 2HZ LYS 56 -6.552 4.116 -20.926 1008 HA PRO 57 HA PRO 57 -9.202 5.931 -16.604 1009 1HB PRO 57 2HB PRO 57 -9.814 6.782 -19.141 1010 2HB PRO 57 1HB PRO 57 -9.380 7.884 -17.823 1011 1HG PRO 57 2HG PRO 57 -7.761 7.055 -20.181 1012 2HG PRO 57 1HG PRO 57 -7.643 8.525 -19.201 1013 1HD PRO 57 2HD PRO 57 -5.946 6.250 -19.033 1014 2HD PRO 57 1HD PRO 57 -6.004 7.608 -17.890 1015 H PHE 58 H PHE 58 -10.907 4.570 -17.594 1016 HA PHE 58 HA PHE 58 -9.877 2.577 -19.552 1017 1HB PHE 58 2HB PHE 58 -10.486 0.734 -18.266 1018 2HB PHE 58 1HB PHE 58 -9.925 1.843 -17.020 1019 HD1 PHE 58 HD2 PHE 58 -12.926 0.448 -18.688 1020 HD2 PHE 58 HD1 PHE 58 -11.443 2.781 -15.400 1021 HE1 PHE 58 HE2 PHE 58 -15.158 0.352 -17.614 1022 HE2 PHE 58 HE1 PHE 58 -13.677 2.683 -14.325 1023 HZ PHE 58 HZ PHE 58 -15.534 1.468 -15.432 1024 HA PRO 59 HA PRO 59 -10.492 1.118 -20.755 1025 1HB PRO 59 2HB PRO 59 -11.059 1.130 -23.445 1026 2HB PRO 59 1HB PRO 59 -11.859 0.061 -22.278 1027 1HG PRO 59 2HG PRO 59 -12.921 2.504 -23.622 1028 2HG PRO 59 1HG PRO 59 -13.797 1.100 -22.990 1029 1HD PRO 59 2HD PRO 59 -13.569 3.620 -21.722 1030 2HD PRO 59 1HD PRO 59 -14.146 2.119 -20.966 1031 H SER 60 H SER 60 -9.164 1.535 -23.186 1032 HA SER 60 HA SER 60 -7.744 4.027 -22.617 1033 1HB SER 60 2HB SER 60 -7.292 2.332 -25.065 1034 2HB SER 60 1HB SER 60 -6.126 3.281 -24.150 1035 HG SER 60 HG SER 60 -6.611 1.771 -22.381 1036 H ASN 61 H ASN 61 -8.847 5.855 -23.206 1037 HA ASN 61 HA ASN 61 -9.533 6.149 -26.077 1038 1HB ASN 61 2HB ASN 61 -11.455 6.039 -23.853 1039 2HB ASN 61 1HB ASN 61 -11.618 7.482 -24.856 1040 1HD2 ASN 61 2HD2 ASN 61 -12.882 5.723 -27.653 1041 2HD2 ASN 61 1HD2 ASN 61 -12.358 7.217 -27.040 1042 H LYS 62 H LYS 62 -7.313 7.237 -24.850 1043 HA LYS 62 HA LYS 62 -8.024 10.126 -24.834 1044 1HB LYS 62 2HB LYS 62 -6.493 10.518 -22.944 1045 2HB LYS 62 1HB LYS 62 -7.791 9.415 -22.480 1046 1HG LYS 62 2HG LYS 62 -6.274 7.497 -22.992 1047 2HG LYS 62 1HG LYS 62 -4.976 8.653 -23.287 1048 1HD LYS 62 2HD LYS 62 -6.459 8.915 -20.714 1049 2HD LYS 62 1HD LYS 62 -5.363 7.541 -20.872 1050 1HE LYS 62 2HE LYS 62 -3.710 8.974 -20.300 1051 2HE LYS 62 1HE LYS 62 -3.893 9.651 -21.918 1052 1HZ LYS 62 3HZ LYS 62 -5.780 10.579 -19.910 1053 2HZ LYS 62 2HZ LYS 62 -4.171 11.083 -19.708 1054 3HZ LYS 62 1HZ LYS 62 -5.001 11.438 -21.148 1055 H LYS 63 H LYS 63 -6.007 11.491 -25.153 1056 HA LYS 63 HA LYS 63 -3.618 10.201 -26.193 1057 1HB LYS 63 2HB LYS 63 -5.787 11.058 -28.032 1058 2HB LYS 63 1HB LYS 63 -4.155 11.559 -28.480 1059 1HG LYS 63 2HG LYS 63 -3.654 9.476 -29.162 1060 2HG LYS 63 1HG LYS 63 -4.112 8.816 -27.593 1061 1HD LYS 63 2HD LYS 63 -6.506 9.547 -28.972 1062 2HD LYS 63 1HD LYS 63 -5.511 8.592 -30.073 1063 1HE LYS 63 2HE LYS 63 -5.229 7.201 -27.723 1064 2HE LYS 63 1HE LYS 63 -6.893 7.773 -27.602 1065 1HZ LYS 63 3HZ LYS 63 -7.196 6.920 -29.921 1066 2HZ LYS 63 2HZ LYS 63 -5.679 6.167 -29.778 1067 3HZ LYS 63 1HZ LYS 63 -6.952 5.724 -28.744 1068 H THR 64 H THR 64 -4.327 12.244 -24.236 1069 HA THR 64 HA THR 64 -3.252 14.725 -25.478 1070 HB THR 64 HB THR 64 -3.784 15.298 -22.823 1071 HG1 THR 64 HG1 THR 64 -5.348 14.062 -22.157 1072 1HG2 THR 64 3HG2 THR 64 -4.545 16.227 -25.247 1073 2HG2 THR 64 2HG2 THR 64 -6.062 15.506 -24.709 1074 3HG2 THR 64 1HG2 THR 64 -5.287 16.758 -23.737 1075 H THR 65 H THR 65 -1.216 15.469 -24.960 1076 HA THR 65 HA THR 65 0.193 14.431 -22.596 1077 HB THR 65 HB THR 65 1.464 14.006 -25.306 1078 HG1 THR 65 HG1 THR 65 -0.291 12.667 -25.290 1079 1HG2 THR 65 2HG2 THR 65 2.441 13.953 -22.695 1080 2HG2 THR 65 1HG2 THR 65 2.188 12.254 -23.094 1081 3HG2 THR 65 3HG2 THR 65 3.223 13.254 -24.113 1082 H ALA 66 HN ALA 66 0.851 16.375 -21.796 1083 HA ALA 66 HA ALA 66 1.560 18.590 -23.575 1084 1HB ALA 66 1HB ALA 66 1.341 18.194 -20.613 1085 2HB ALA 66 3HB ALA 66 2.275 19.562 -21.218 1086 3HB ALA 66 2HB ALA 66 0.570 19.405 -21.639 Start of MODEL 20 Raw file had 1086 H/Q atoms Start of MODEL 20 1 1H MET 1 3H MET 1 -14.794 18.977 -9.505 2 2H MET 1 2H MET 1 -14.329 20.609 -9.421 3 3H MET 1 1H MET 1 -14.826 19.790 -8.018 4 HA MET 1 HA MET 1 -16.958 20.221 -8.389 5 1HB MET 1 2HB MET 1 -15.490 22.244 -9.504 6 2HB MET 1 1HB MET 1 -16.504 21.768 -10.865 7 1HG MET 1 2HG MET 1 -18.076 21.848 -8.440 8 2HG MET 1 1HG MET 1 -17.249 23.387 -8.678 9 1HE MET 1 1HE MET 1 -18.750 24.720 -8.867 10 2HE MET 1 3HE MET 1 -18.751 25.323 -10.530 11 3HE MET 1 2HE MET 1 -20.240 24.719 -9.808 12 H GLU 2 H GLU 2 -16.404 17.751 -9.417 13 HA GLU 2 HA GLU 2 -18.222 17.660 -11.768 14 1HB GLU 2 2HB GLU 2 -15.439 16.498 -11.605 15 2HB GLU 2 1HB GLU 2 -16.654 15.819 -12.687 16 1HG GLU 2 2HG GLU 2 -16.262 17.451 -14.182 17 2HG GLU 2 1HG GLU 2 -16.680 18.670 -12.977 18 H GLN 3 H GLN 3 -19.048 15.393 -12.113 19 HA GLN 3 HA GLN 3 -19.816 14.220 -9.568 20 1HB GLN 3 2HB GLN 3 -20.429 13.755 -12.444 21 2HB GLN 3 1HB GLN 3 -20.635 12.376 -11.363 22 1HG GLN 3 2HG GLN 3 -22.531 13.246 -10.524 23 2HG GLN 3 1HG GLN 3 -21.716 14.762 -10.141 24 1HE2 GLN 3 2HE2 GLN 3 -23.214 14.541 -13.969 25 2HE2 GLN 3 1HE2 GLN 3 -22.364 13.215 -13.336 26 NH1 ARG 4 NH2 ARG 4 -12.749 9.655 -9.928 27 NH2 ARG 4 NH1 ARG 4 -11.950 10.280 -7.907 28 H ARG 4 H ARG 4 -18.151 13.203 -8.475 29 HA ARG 4 HA ARG 4 -16.428 11.318 -10.022 30 1HB ARG 4 2HB ARG 4 -16.086 12.769 -7.396 31 2HB ARG 4 1HB ARG 4 -15.078 11.381 -7.810 32 1HG ARG 4 2HG ARG 4 -15.411 13.764 -9.647 33 2HG ARG 4 1HG ARG 4 -14.125 13.659 -8.444 34 1HD ARG 4 2HD ARG 4 -14.519 11.336 -10.282 35 2HD ARG 4 1HD ARG 4 -13.749 12.784 -10.930 36 HE ARG 4 HE ARG 4 -12.014 12.524 -9.161 37 1HH1 ARG 4 1HH2 ARG 4 -13.143 9.895 -10.815 38 2HH1 ARG 4 2HH2 ARG 4 -12.579 8.696 -9.700 39 1HH2 ARG 4 2HH1 ARG 4 -11.731 10.998 -7.248 40 2HH2 ARG 4 1HH1 ARG 4 -11.778 9.321 -7.680 41 H ILE 5 H ILE 5 -17.006 9.193 -9.879 42 HA ILE 5 HA ILE 5 -17.892 8.112 -7.269 43 HB ILE 5 HB ILE 5 -19.525 7.816 -9.806 44 1HG1 ILE 5 2HG1 ILE 5 -21.234 8.780 -7.956 45 2HG1 ILE 5 1HG1 ILE 5 -19.742 9.521 -7.376 46 1HG2 ILE 5 2HG2 ILE 5 -19.765 6.585 -7.050 47 2HG2 ILE 5 1HG2 ILE 5 -21.091 6.605 -8.214 48 3HG2 ILE 5 3HG2 ILE 5 -19.599 5.746 -8.593 49 1HD1 ILE 5 1HD1 ILE 5 -19.972 9.701 -10.274 50 2HD1 ILE 5 3HD1 ILE 5 -21.346 10.455 -9.464 51 3HD1 ILE 5 2HD1 ILE 5 -19.706 10.984 -9.093 52 H THR 6 H THR 6 -17.701 5.761 -7.193 53 HA THR 6 HA THR 6 -15.604 4.771 -9.003 54 HB THR 6 HB THR 6 -16.884 2.908 -7.079 55 HG1 THR 6 HG1 THR 6 -15.761 5.377 -6.379 56 1HG2 THR 6 3HG2 THR 6 -14.189 3.600 -8.135 57 2HG2 THR 6 2HG2 THR 6 -14.257 2.933 -6.505 58 3HG2 THR 6 1HG2 THR 6 -14.918 2.017 -7.859 59 H LEU 7 H LEU 7 -15.889 3.060 -10.482 60 HA LEU 7 HA LEU 7 -18.235 2.859 -11.954 61 1HB LEU 7 2HB LEU 7 -16.304 1.891 -12.912 62 2HB LEU 7 1HB LEU 7 -15.993 0.891 -11.494 63 HG LEU 7 HG LEU 7 -18.037 -0.418 -11.976 64 1HD1 LEU 7 1HD1 LEU 7 -18.892 1.738 -13.362 65 2HD1 LEU 7 3HD1 LEU 7 -18.271 0.763 -14.694 66 3HD1 LEU 7 2HD1 LEU 7 -19.525 0.115 -13.635 67 1HD2 LEU 7 1HD2 LEU 7 -15.609 -0.560 -13.264 68 2HD2 LEU 7 3HD2 LEU 7 -16.884 -1.772 -13.396 69 3HD2 LEU 7 2HD2 LEU 7 -16.736 -0.511 -14.620 70 H LYS 8 H LYS 8 -17.556 1.436 -8.865 71 HA LYS 8 HA LYS 8 -19.691 -0.552 -9.043 72 1HB LYS 8 2HB LYS 8 -18.957 -1.269 -6.953 73 2HB LYS 8 1HB LYS 8 -17.485 -0.558 -7.608 74 1HG LYS 8 2HG LYS 8 -18.062 1.584 -6.439 75 2HG LYS 8 1HG LYS 8 -19.428 0.759 -5.687 76 1HD LYS 8 2HD LYS 8 -18.103 -0.333 -4.208 77 2HD LYS 8 1HD LYS 8 -16.893 -0.704 -5.436 78 1HE LYS 8 2HE LYS 8 -16.011 0.814 -3.667 79 2HE LYS 8 1HE LYS 8 -15.972 1.552 -5.268 80 1HZ LYS 8 3HZ LYS 8 -18.287 1.933 -3.480 81 2HZ LYS 8 2HZ LYS 8 -16.903 2.907 -3.329 82 3HZ LYS 8 1HZ LYS 8 -17.781 2.893 -4.782 83 H ASP 9 H ASP 9 -19.249 2.609 -7.498 84 HA ASP 9 HA ASP 9 -21.868 2.617 -6.269 85 1HB ASP 9 2HB ASP 9 -19.631 4.519 -6.616 86 2HB ASP 9 1HB ASP 9 -21.227 5.266 -6.521 87 OH TYR 10 OH TYR 10 -24.316 5.373 -16.446 88 H TYR 10 H TYR 10 -20.650 3.367 -9.440 89 HA TYR 10 HA TYR 10 -22.979 4.929 -10.250 90 1HB TYR 10 2HB TYR 10 -20.883 5.379 -11.363 91 2HB TYR 10 1HB TYR 10 -20.692 3.681 -11.798 92 HD1 TYR 10 HD2 TYR 10 -23.733 5.848 -11.953 93 HD2 TYR 10 HD1 TYR 10 -20.786 3.632 -14.152 94 HE1 TYR 10 HE2 TYR 10 -25.004 6.239 -14.045 95 HE2 TYR 10 HE1 TYR 10 -22.053 4.025 -16.245 96 HH TYR 10 HH TYR 10 -24.094 6.250 -16.767 97 H ALA 11 H ALA 11 -21.957 1.560 -10.439 98 HA ALA 11 HA ALA 11 -24.140 0.815 -12.238 99 1HB ALA 11 3HB ALA 11 -21.740 -0.353 -11.522 100 2HB ALA 11 2HB ALA 11 -22.920 -1.343 -10.664 101 3HB ALA 11 1HB ALA 11 -23.033 -1.154 -12.413 102 H MET 12 H MET 12 -23.548 0.771 -8.743 103 HA MET 12 HA MET 12 -26.040 -0.719 -8.260 104 1HB MET 12 2HB MET 12 -23.808 0.321 -6.565 105 2HB MET 12 1HB MET 12 -25.357 -0.022 -5.796 106 1HG MET 12 2HG MET 12 -24.168 -2.067 -5.645 107 2HG MET 12 1HG MET 12 -25.257 -2.293 -7.013 108 1HE MET 12 1HE MET 12 -23.830 -4.188 -7.046 109 2HE MET 12 3HE MET 12 -23.586 -4.112 -8.796 110 3HE MET 12 2HE MET 12 -22.208 -4.321 -7.719 111 NH1 ARG 13 NH1 ARG 13 -26.652 3.709 -2.651 112 NH2 ARG 13 NH2 ARG 13 -25.731 5.130 -1.152 113 H ARG 13 H ARG 13 -24.968 2.654 -8.072 114 HA ARG 13 HA ARG 13 -27.516 3.424 -6.792 115 1HB ARG 13 2HB ARG 13 -25.044 4.952 -7.585 116 2HB ARG 13 1HB ARG 13 -26.519 5.782 -7.101 117 1HG ARG 13 2HG ARG 13 -25.789 3.595 -5.290 118 2HG ARG 13 1HG ARG 13 -24.571 4.870 -5.367 119 1HD ARG 13 2HD ARG 13 -26.607 6.490 -5.140 120 2HD ARG 13 1HD ARG 13 -27.458 5.067 -4.537 121 HE ARG 13 HE ARG 13 -25.247 6.467 -3.177 122 1HH1 ARG 13 2HH1 ARG 13 -26.918 3.493 -3.590 123 2HH1 ARG 13 1HH1 ARG 13 -26.828 3.051 -1.917 124 1HH2 ARG 13 1HH2 ARG 13 -25.293 6.004 -0.945 125 2HH2 ARG 13 2HH2 ARG 13 -25.907 4.471 -0.420 126 H PHE 14 H PHE 14 -26.080 3.447 -9.996 127 HA PHE 14 HA PHE 14 -28.441 5.000 -10.958 128 1HB PHE 14 2HB PHE 14 -25.834 4.437 -12.395 129 2HB PHE 14 1HB PHE 14 -27.131 5.498 -12.951 130 HD1 PHE 14 HD1 PHE 14 -25.015 4.966 -9.890 131 HD2 PHE 14 HD2 PHE 14 -26.930 7.774 -12.519 132 HE1 PHE 14 HE1 PHE 14 -24.052 6.842 -8.587 133 HE2 PHE 14 HE2 PHE 14 -25.962 9.651 -11.216 134 HZ PHE 14 HZ PHE 14 -24.522 9.184 -9.249 135 H GLY 15 H GLY 15 -26.534 2.072 -11.607 136 1HA GLY 15 2HA GLY 15 -28.320 0.168 -12.051 137 2HA GLY 15 1HA GLY 15 -28.667 1.160 -13.466 138 H GLN 16 H GLN 16 -27.383 -1.613 -13.029 139 HA GLN 16 HA GLN 16 -24.661 -1.324 -14.019 140 1HB GLN 16 2HB GLN 16 -26.535 -3.598 -13.480 141 2HB GLN 16 1HB GLN 16 -25.151 -3.889 -14.535 142 1HG GLN 16 2HG GLN 16 -23.597 -3.366 -12.844 143 2HG GLN 16 1HG GLN 16 -24.801 -2.519 -11.873 144 1HE2 GLN 16 2HE2 GLN 16 -24.224 -5.971 -10.450 145 2HE2 GLN 16 1HE2 GLN 16 -23.185 -4.680 -10.816 146 H THR 17 H THR 17 -27.820 -2.042 -15.436 147 HA THR 17 HA THR 17 -26.912 -2.686 -18.066 148 HB THR 17 HB THR 17 -29.488 -1.230 -17.801 149 HG1 THR 17 HG1 THR 17 -29.019 -3.738 -16.565 150 1HG2 THR 17 1HG2 THR 17 -28.270 -3.306 -19.401 151 2HG2 THR 17 3HG2 THR 17 -29.797 -3.874 -18.729 152 3HG2 THR 17 2HG2 THR 17 -29.755 -2.404 -19.702 153 H LYS 18 H LYS 18 -27.918 0.432 -16.638 154 HA LYS 18 HA LYS 18 -27.479 1.918 -19.081 155 1HB LYS 18 2HB LYS 18 -27.647 3.909 -17.607 156 2HB LYS 18 1HB LYS 18 -28.963 2.766 -17.324 157 1HG LYS 18 2HG LYS 18 -27.966 1.945 -15.331 158 2HG LYS 18 1HG LYS 18 -26.415 2.697 -15.707 159 1HD LYS 18 2HD LYS 18 -27.499 4.047 -14.025 160 2HD LYS 18 1HD LYS 18 -27.549 4.940 -15.548 161 1HE LYS 18 2HE LYS 18 -29.834 3.117 -14.945 162 2HE LYS 18 1HE LYS 18 -29.734 4.627 -14.037 163 1HZ LYS 18 1HZ LYS 18 -29.281 4.824 -16.899 164 2HZ LYS 18 3HZ LYS 18 -30.863 4.432 -16.431 165 3HZ LYS 18 2HZ LYS 18 -30.137 5.858 -15.857 166 H THR 19 H THR 19 -25.445 0.968 -16.382 167 HA THR 19 HA THR 19 -23.311 2.835 -16.912 168 HB THR 19 HB THR 19 -23.179 0.115 -15.569 169 HG1 THR 19 HG1 THR 19 -23.185 1.671 -13.702 170 1HG2 THR 19 2HG2 THR 19 -21.256 2.349 -15.979 171 2HG2 THR 19 1HG2 THR 19 -21.280 1.608 -14.379 172 3HG2 THR 19 3HG2 THR 19 -20.952 0.621 -15.803 173 H ALA 20 H ALA 20 -24.177 -0.319 -18.202 174 HA ALA 20 HA ALA 20 -21.623 -0.653 -19.598 175 1HB ALA 20 2HB ALA 20 -24.251 -2.136 -19.613 176 2HB ALA 20 1HB ALA 20 -22.982 -2.512 -20.779 177 3HB ALA 20 3HB ALA 20 -22.677 -2.699 -19.052 178 H LYS 21 H LYS 21 -24.804 0.668 -20.298 179 HA LYS 21 HA LYS 21 -24.310 0.834 -23.180 180 1HB LYS 21 2HB LYS 21 -26.506 1.534 -21.318 181 2HB LYS 21 1HB LYS 21 -26.353 2.586 -22.726 182 1HG LYS 21 2HG LYS 21 -27.716 0.901 -23.580 183 2HG LYS 21 1HG LYS 21 -26.118 0.301 -24.027 184 1HD LYS 21 2HD LYS 21 -26.082 -1.017 -21.892 185 2HD LYS 21 1HD LYS 21 -27.750 -0.518 -21.610 186 1HE LYS 21 2HE LYS 21 -28.539 -1.690 -23.513 187 2HE LYS 21 1HE LYS 21 -26.915 -1.866 -24.179 188 1HZ LYS 21 1HZ LYS 21 -27.153 -2.977 -21.556 189 2HZ LYS 21 3HZ LYS 21 -28.226 -3.700 -22.651 190 3HZ LYS 21 2HZ LYS 21 -26.560 -3.686 -22.981 191 H ASP 22 H ASP 22 -23.720 2.761 -20.361 192 HA ASP 22 HA ASP 22 -23.311 5.262 -21.813 193 1HB ASP 22 2HB ASP 22 -23.564 4.474 -19.102 194 2HB ASP 22 1HB ASP 22 -21.959 5.186 -19.269 195 H LEU 23 H LEU 23 -21.285 2.667 -20.507 196 HA LEU 23 HA LEU 23 -18.844 4.006 -21.485 197 1HB LEU 23 2HB LEU 23 -19.292 1.387 -20.032 198 2HB LEU 23 1HB LEU 23 -17.705 1.983 -20.520 199 HG LEU 23 HG LEU 23 -19.335 3.972 -19.086 200 1HD1 LEU 23 2HD1 LEU 23 -18.970 1.266 -18.005 201 2HD1 LEU 23 1HD1 LEU 23 -18.360 2.534 -16.945 202 3HD1 LEU 23 3HD1 LEU 23 -20.044 2.555 -17.466 203 1HD2 LEU 23 2HD2 LEU 23 -16.659 3.531 -19.703 204 2HD2 LEU 23 1HD2 LEU 23 -17.265 4.740 -18.573 205 3HD2 LEU 23 3HD2 LEU 23 -16.745 3.163 -17.981 206 H GLY 24 H GLY 24 -21.208 1.953 -22.734 207 1HA GLY 24 2HA GLY 24 -21.329 0.908 -24.839 208 2HA GLY 24 1HA GLY 24 -19.737 1.576 -25.198 209 H VAL 25 H VAL 25 -20.124 -0.299 -22.299 210 HA VAL 25 HA VAL 25 -18.555 -2.486 -23.602 211 HB VAL 25 HB VAL 25 -18.016 -3.023 -21.108 212 1HG1 VAL 25 2HG1 VAL 25 -16.769 -1.521 -23.083 213 2HG1 VAL 25 1HG1 VAL 25 -16.725 -0.456 -21.677 214 3HG1 VAL 25 3HG1 VAL 25 -16.019 -2.070 -21.584 215 1HG2 VAL 25 1HG2 VAL 25 -19.844 -1.067 -20.619 216 2HG2 VAL 25 3HG2 VAL 25 -18.542 -1.474 -19.502 217 3HG2 VAL 25 2HG2 VAL 25 -18.360 -0.116 -20.612 218 OH TYR 26 OH TYR 26 -14.957 -6.874 -23.448 219 H TYR 26 H TYR 26 -18.922 -4.555 -21.883 220 HA TYR 26 HA TYR 26 -21.849 -5.055 -22.142 221 1HB TYR 26 2HB TYR 26 -20.735 -7.490 -21.485 222 2HB TYR 26 1HB TYR 26 -21.081 -6.947 -23.124 223 HD1 TYR 26 HD1 TYR 26 -19.246 -5.651 -24.376 224 HD2 TYR 26 HD2 TYR 26 -18.517 -7.906 -20.794 225 HE1 TYR 26 HE1 TYR 26 -16.827 -5.711 -24.907 226 HE2 TYR 26 HE2 TYR 26 -16.094 -7.965 -21.326 227 HH TYR 26 HH TYR 26 -14.706 -6.009 -23.779 228 H GLN 27 H GLN 27 -22.948 -6.151 -20.375 229 HA GLN 27 HA GLN 27 -22.267 -5.055 -17.800 230 1HB GLN 27 2HB GLN 27 -24.231 -7.234 -18.575 231 2HB GLN 27 1HB GLN 27 -24.144 -6.483 -16.980 232 1HG GLN 27 2HG GLN 27 -25.149 -4.570 -17.688 233 2HG GLN 27 1HG GLN 27 -24.281 -4.571 -19.223 234 1HE2 GLN 27 2HE2 GLN 27 -27.671 -6.908 -19.031 235 2HE2 GLN 27 1HE2 GLN 27 -26.676 -6.790 -17.660 236 H SER 28 H SER 28 -21.543 -8.078 -19.410 237 HA SER 28 HA SER 28 -20.806 -9.548 -17.034 238 1HB SER 28 2HB SER 28 -21.099 -10.193 -19.694 239 2HB SER 28 1HB SER 28 -19.349 -10.223 -19.504 240 HG SER 28 HG SER 28 -19.701 -11.590 -17.667 241 H ALA 29 H ALA 29 -19.276 -7.091 -18.930 242 HA ALA 29 HA ALA 29 -16.572 -7.688 -17.965 243 1HB ALA 29 3HB ALA 29 -17.831 -5.747 -19.807 244 2HB ALA 29 2HB ALA 29 -16.468 -5.107 -18.889 245 3HB ALA 29 1HB ALA 29 -16.253 -6.530 -19.908 246 H ILE 30 H ILE 30 -19.142 -5.343 -17.323 247 HA ILE 30 HA ILE 30 -17.722 -3.915 -15.263 248 HB ILE 30 HB ILE 30 -20.624 -4.182 -16.051 249 1HG1 ILE 30 2HG1 ILE 30 -19.108 -1.617 -15.773 250 2HG1 ILE 30 1HG1 ILE 30 -18.701 -2.678 -17.122 251 1HG2 ILE 30 2HG2 ILE 30 -19.541 -3.335 -13.461 252 2HG2 ILE 30 1HG2 ILE 30 -20.545 -2.104 -14.230 253 3HG2 ILE 30 3HG2 ILE 30 -21.205 -3.709 -13.916 254 1HD1 ILE 30 2HD1 ILE 30 -21.586 -2.410 -16.784 255 2HD1 ILE 30 1HD1 ILE 30 -20.806 -0.852 -17.053 256 3HD1 ILE 30 3HD1 ILE 30 -20.599 -2.154 -18.224 257 H ASN 31 H ASN 31 -19.497 -6.898 -15.398 258 HA ASN 31 HA ASN 31 -19.996 -7.177 -12.562 259 1HB ASN 31 2HB ASN 31 -21.185 -8.492 -14.333 260 2HB ASN 31 1HB ASN 31 -19.677 -9.347 -14.661 261 1HD2 ASN 31 2HD2 ASN 31 -21.661 -11.350 -12.193 262 2HD2 ASN 31 1HD2 ASN 31 -21.950 -10.785 -13.768 263 H LYS 32 H LYS 32 -17.489 -8.539 -14.734 264 HA LYS 32 HA LYS 32 -15.984 -9.765 -12.627 265 1HB LYS 32 2HB LYS 32 -15.395 -8.931 -15.453 266 2HB LYS 32 1HB LYS 32 -14.059 -9.408 -14.402 267 1HG LYS 32 2HG LYS 32 -14.663 -11.596 -14.427 268 2HG LYS 32 1HG LYS 32 -16.379 -11.215 -14.278 269 1HD LYS 32 2HD LYS 32 -16.442 -10.596 -16.674 270 2HD LYS 32 1HD LYS 32 -14.736 -11.021 -16.819 271 1HE LYS 32 2HE LYS 32 -15.692 -13.017 -17.492 272 2HE LYS 32 1HE LYS 32 -15.577 -13.310 -15.757 273 1HZ LYS 32 1HZ LYS 32 -17.968 -12.098 -17.015 274 2HZ LYS 32 3HZ LYS 32 -17.795 -13.774 -16.815 275 3HZ LYS 32 2HZ LYS 32 -17.825 -12.755 -15.454 276 H ALA 33 H ALA 33 -16.180 -6.492 -13.843 277 HA ALA 33 HA ALA 33 -13.728 -5.522 -12.681 278 1HB ALA 33 3HB ALA 33 -16.305 -4.125 -13.445 279 2HB ALA 33 2HB ALA 33 -14.874 -3.271 -12.871 280 3HB ALA 33 1HB ALA 33 -14.810 -4.188 -14.377 281 H ILE 34 H ILE 34 -17.052 -5.813 -11.516 282 HA ILE 34 HA ILE 34 -16.507 -4.484 -8.987 283 HB ILE 34 HB ILE 34 -18.772 -6.273 -9.920 284 1HG1 ILE 34 2HG1 ILE 34 -18.434 -3.941 -10.924 285 2HG1 ILE 34 1HG1 ILE 34 -20.004 -4.238 -10.178 286 1HG2 ILE 34 3HG2 ILE 34 -18.305 -4.829 -7.302 287 2HG2 ILE 34 2HG2 ILE 34 -19.920 -5.282 -7.848 288 3HG2 ILE 34 1HG2 ILE 34 -18.707 -6.527 -7.551 289 1HD1 ILE 34 1HD1 ILE 34 -17.853 -3.149 -8.423 290 2HD1 ILE 34 3HD1 ILE 34 -18.555 -2.052 -9.613 291 3HD1 ILE 34 2HD1 ILE 34 -19.586 -2.824 -8.409 292 H HIS 35 H HIS 35 -16.436 -7.771 -10.208 293 HA HIS 35 HA HIS 35 -16.131 -9.038 -7.620 294 1HB HIS 35 2HB HIS 35 -15.856 -9.873 -10.491 295 2HB HIS 35 1HB HIS 35 -15.195 -10.916 -9.231 296 HD1 HIS 35 HD1 HIS 35 -17.233 -10.741 -7.036 297 HD2 HIS 35 HD2 HIS 35 -18.339 -10.939 -11.051 298 HE1 HIS 35 HE1 HIS 35 -19.615 -11.603 -7.082 299 H ALA 36 H ALA 36 -14.041 -7.402 -9.836 300 HA ALA 36 HA ALA 36 -11.574 -8.614 -8.841 301 1HB ALA 36 2HB ALA 36 -12.086 -7.419 -11.155 302 2HB ALA 36 1HB ALA 36 -11.625 -5.972 -10.257 303 3HB ALA 36 3HB ALA 36 -10.484 -7.307 -10.424 304 H GLY 37 H GLY 37 -13.661 -6.002 -7.931 305 1HA GLY 37 2HA GLY 37 -13.445 -4.320 -6.300 306 2HA GLY 37 1HA GLY 37 -12.564 -5.560 -5.406 307 NH1 ARG 38 NH1 ARG 38 -4.908 -4.171 -10.576 308 NH2 ARG 38 NH2 ARG 38 -4.390 -6.215 -9.761 309 H ARG 38 H ARG 38 -11.424 -4.369 -8.504 310 HA ARG 38 HA ARG 38 -8.904 -3.553 -7.258 311 1HB ARG 38 2HB ARG 38 -9.828 -3.255 -10.134 312 2HB ARG 38 1HB ARG 38 -8.172 -3.085 -9.550 313 1HG ARG 38 2HG ARG 38 -8.815 -5.547 -8.556 314 2HG ARG 38 1HG ARG 38 -9.750 -5.534 -10.052 315 1HD ARG 38 2HD ARG 38 -7.703 -6.337 -10.816 316 2HD ARG 38 1HD ARG 38 -7.514 -4.606 -11.094 317 HE ARG 38 HE ARG 38 -6.583 -5.422 -8.459 318 1HH1 ARG 38 2HH1 ARG 38 -5.568 -3.430 -10.700 319 2HH1 ARG 38 1HH1 ARG 38 -3.985 -4.088 -10.953 320 1HH2 ARG 38 1HH2 ARG 38 -4.653 -7.039 -9.260 321 2HH2 ARG 38 2HH2 ARG 38 -3.469 -6.132 -10.140 322 H LYS 39 H LYS 39 -8.243 -1.311 -8.841 323 HA LYS 39 HA LYS 39 -9.957 0.744 -7.537 324 1HB LYS 39 2HB LYS 39 -7.295 1.150 -8.916 325 2HB LYS 39 1HB LYS 39 -8.101 2.243 -7.790 326 1HG LYS 39 2HG LYS 39 -7.021 -0.514 -7.132 327 2HG LYS 39 1HG LYS 39 -6.317 1.025 -6.632 328 1HD LYS 39 2HD LYS 39 -8.475 1.557 -5.458 329 2HD LYS 39 1HD LYS 39 -9.026 -0.077 -5.835 330 1HE LYS 39 2HE LYS 39 -6.751 -0.796 -4.731 331 2HE LYS 39 1HE LYS 39 -6.831 0.798 -3.980 332 1HZ LYS 39 2HZ LYS 39 -9.336 -0.139 -3.646 333 2HZ LYS 39 1HZ LYS 39 -8.411 -1.554 -3.472 334 3HZ LYS 39 3HZ LYS 39 -8.106 -0.215 -2.476 335 H ILE 40 H ILE 40 -11.630 0.364 -9.185 336 HA ILE 40 HA ILE 40 -10.951 1.608 -11.814 337 HB ILE 40 HB ILE 40 -13.524 0.145 -11.230 338 1HG1 ILE 40 2HG1 ILE 40 -11.102 -1.223 -12.393 339 2HG1 ILE 40 1HG1 ILE 40 -11.369 -1.206 -10.649 340 1HG2 ILE 40 2HG2 ILE 40 -11.998 1.114 -13.595 341 2HG2 ILE 40 1HG2 ILE 40 -12.851 -0.418 -13.779 342 3HG2 ILE 40 3HG2 ILE 40 -13.741 1.038 -13.336 343 1HD1 ILE 40 1HD1 ILE 40 -13.784 -1.900 -12.149 344 2HD1 ILE 40 3HD1 ILE 40 -12.461 -3.033 -12.430 345 3HD1 ILE 40 2HD1 ILE 40 -13.031 -2.732 -10.788 346 H PHE 41 H PHE 41 -11.114 3.756 -11.176 347 HA PHE 41 HA PHE 41 -13.446 4.720 -9.710 348 1HB PHE 41 2HB PHE 41 -11.464 6.437 -11.203 349 2HB PHE 41 1HB PHE 41 -12.365 6.821 -9.736 350 HD1 PHE 41 HD1 PHE 41 -11.845 3.862 -8.614 351 HD2 PHE 41 HD2 PHE 41 -9.321 7.024 -10.067 352 HE1 PHE 41 HE1 PHE 41 -9.977 3.013 -7.228 353 HE2 PHE 41 HE2 PHE 41 -7.457 6.170 -8.678 354 HZ PHE 41 HZ PHE 41 -7.783 4.164 -7.261 355 H LEU 42 H LEU 42 -14.721 6.599 -10.689 356 HA LEU 42 HA LEU 42 -15.144 6.236 -13.619 357 1HB LEU 42 2HB LEU 42 -16.701 4.918 -11.818 358 2HB LEU 42 1HB LEU 42 -17.591 6.432 -11.960 359 HG LEU 42 HG LEU 42 -17.225 6.027 -14.552 360 1HD1 LEU 42 2HD1 LEU 42 -16.041 3.729 -13.507 361 2HD1 LEU 42 1HD1 LEU 42 -17.641 3.185 -14.011 362 3HD1 LEU 42 3HD1 LEU 42 -16.563 3.952 -15.177 363 1HD2 LEU 42 3HD2 LEU 42 -19.210 4.500 -12.840 364 2HD2 LEU 42 2HD2 LEU 42 -19.396 6.159 -13.407 365 3HD2 LEU 42 1HD2 LEU 42 -19.401 4.827 -14.563 366 H THR 43 H THR 43 -14.742 8.332 -14.301 367 HA THR 43 HA THR 43 -15.827 10.576 -12.685 368 HB THR 43 HB THR 43 -13.417 10.443 -13.683 369 HG1 THR 43 HG1 THR 43 -15.086 12.700 -14.073 370 1HG2 THR 43 2HG2 THR 43 -14.377 9.890 -15.996 371 2HG2 THR 43 1HG2 THR 43 -14.825 11.594 -16.094 372 3HG2 THR 43 3HG2 THR 43 -13.128 11.134 -15.937 373 H ILE 44 H ILE 44 -17.866 11.219 -13.210 374 HA ILE 44 HA ILE 44 -18.895 10.658 -15.932 375 HB ILE 44 HB ILE 44 -20.501 11.926 -13.729 376 1HG1 ILE 44 2HG1 ILE 44 -19.809 8.982 -13.998 377 2HG1 ILE 44 1HG1 ILE 44 -19.308 10.044 -12.681 378 1HG2 ILE 44 2HG2 ILE 44 -20.964 10.314 -16.205 379 2HG2 ILE 44 1HG2 ILE 44 -22.108 10.131 -14.876 380 3HG2 ILE 44 3HG2 ILE 44 -21.844 11.717 -15.601 381 1HD1 ILE 44 1HD1 ILE 44 -22.228 9.842 -13.311 382 2HD1 ILE 44 3HD1 ILE 44 -21.463 8.515 -12.438 383 3HD1 ILE 44 2HD1 ILE 44 -21.435 10.144 -11.765 384 H ASN 45 H ASN 45 -19.030 12.240 -17.450 385 HA ASN 45 HA ASN 45 -18.361 15.008 -16.670 386 1HB ASN 45 2HB ASN 45 -18.678 13.597 -19.322 387 2HB ASN 45 1HB ASN 45 -18.523 15.351 -19.216 388 1HD2 ASN 45 2HD2 ASN 45 -15.307 13.183 -17.824 389 2HD2 ASN 45 1HD2 ASN 45 -16.878 12.629 -17.496 390 H ALA 46 H ALA 46 -19.792 16.722 -16.823 391 HA ALA 46 HA ALA 46 -22.500 16.427 -16.326 392 1HB ALA 46 1HB ALA 46 -20.988 18.640 -17.708 393 2HB ALA 46 3HB ALA 46 -22.724 18.757 -17.419 394 3HB ALA 46 2HB ALA 46 -21.612 18.599 -16.059 395 H ASP 47 H ASP 47 -20.923 15.982 -19.398 396 HA ASP 47 HA ASP 47 -23.423 16.250 -20.923 397 1HB ASP 47 2HB ASP 47 -20.713 15.193 -21.786 398 2HB ASP 47 1HB ASP 47 -22.053 15.609 -22.855 399 H GLY 48 H GLY 48 -23.335 14.241 -18.763 400 1HA GLY 48 2HA GLY 48 -23.960 12.008 -18.412 401 2HA GLY 48 1HA GLY 48 -24.641 12.081 -20.038 402 H SER 49 H SER 49 -21.245 12.702 -19.526 403 HA SER 49 HA SER 49 -20.614 10.324 -21.180 404 1HB SER 49 2HB SER 49 -19.571 12.888 -21.079 405 2HB SER 49 1HB SER 49 -18.356 11.933 -20.233 406 HG SER 49 HG SER 49 -19.471 10.994 -22.636 407 H VAL 50 H VAL 50 -18.862 8.869 -20.528 408 HA VAL 50 HA VAL 50 -18.429 8.745 -17.577 409 HB VAL 50 HB VAL 50 -18.867 6.235 -19.185 410 1HG1 VAL 50 3HG1 VAL 50 -18.211 6.915 -16.482 411 2HG1 VAL 50 2HG1 VAL 50 -19.802 6.154 -16.490 412 3HG1 VAL 50 1HG1 VAL 50 -18.418 5.311 -17.186 413 1HG2 VAL 50 2HG2 VAL 50 -20.858 8.238 -18.447 414 2HG2 VAL 50 1HG2 VAL 50 -21.034 6.805 -19.461 415 3HG2 VAL 50 3HG2 VAL 50 -21.191 6.670 -17.710 416 OH TYR 51 OH TYR 51 -8.697 7.984 -20.701 417 H TYR 51 H TYR 51 -16.278 8.777 -17.242 418 HA TYR 51 HA TYR 51 -14.528 7.320 -19.169 419 1HB TYR 51 2HB TYR 51 -14.387 9.861 -19.364 420 2HB TYR 51 1HB TYR 51 -13.724 9.862 -17.729 421 HD1 TYR 51 HD1 TYR 51 -13.211 7.399 -20.495 422 HD2 TYR 51 HD2 TYR 51 -11.442 10.409 -17.989 423 HE1 TYR 51 HE1 TYR 51 -10.972 6.833 -21.396 424 HE2 TYR 51 HE2 TYR 51 -9.203 9.842 -18.893 425 HH TYR 51 HH TYR 51 -8.678 8.232 -21.628 426 H ALA 52 H ALA 52 -14.580 5.528 -17.709 427 HA ALA 52 HA ALA 52 -13.793 5.878 -14.922 428 1HB ALA 52 3HB ALA 52 -15.114 3.905 -16.382 429 2HB ALA 52 2HB ALA 52 -13.568 3.165 -15.971 430 3HB ALA 52 1HB ALA 52 -14.613 3.788 -14.696 431 H GLU 53 H GLU 53 -11.792 5.249 -14.007 432 HA GLU 53 HA GLU 53 -9.605 4.653 -15.957 433 1HB GLU 53 2HB GLU 53 -9.859 6.886 -14.018 434 2HB GLU 53 1HB GLU 53 -8.288 6.085 -14.070 435 1HG GLU 53 2HG GLU 53 -8.104 6.474 -16.458 436 2HG GLU 53 1HG GLU 53 -9.746 7.116 -16.519 437 H GLU 54 H GLU 54 -7.692 3.706 -14.887 438 HA GLU 54 HA GLU 54 -8.478 2.085 -12.497 439 1HB GLU 54 2HB GLU 54 -8.175 0.729 -14.563 440 2HB GLU 54 1HB GLU 54 -6.532 1.352 -14.710 441 1HG GLU 54 2HG GLU 54 -6.246 -0.715 -13.604 442 2HG GLU 54 1HG GLU 54 -6.198 0.470 -12.298 443 H VAL 55 H VAL 55 -6.956 2.014 -10.795 444 HA VAL 55 HA VAL 55 -4.290 3.151 -11.181 445 HB VAL 55 HB VAL 55 -5.608 4.615 -9.014 446 1HG1 VAL 55 1HG1 VAL 55 -3.641 4.983 -11.176 447 2HG1 VAL 55 3HG1 VAL 55 -4.599 6.420 -10.823 448 3HG1 VAL 55 2HG1 VAL 55 -3.656 5.653 -9.545 449 1HG2 VAL 55 3HG2 VAL 55 -7.524 4.490 -10.607 450 2HG2 VAL 55 2HG2 VAL 55 -6.898 6.131 -10.453 451 3HG2 VAL 55 1HG2 VAL 55 -6.492 5.164 -11.869 452 H LYS 56 H LYS 56 -3.166 1.602 -10.111 453 HA LYS 56 HA LYS 56 -3.853 1.098 -7.274 454 1HB LYS 56 2HB LYS 56 -5.083 -0.666 -8.289 455 2HB LYS 56 1HB LYS 56 -3.801 -1.000 -9.447 456 1HG LYS 56 2HG LYS 56 -3.547 -2.726 -7.865 457 2HG LYS 56 1HG LYS 56 -2.358 -1.540 -7.331 458 1HD LYS 56 2HD LYS 56 -3.380 -1.559 -5.322 459 2HD LYS 56 1HD LYS 56 -4.745 -0.752 -6.095 460 1HE LYS 56 2HE LYS 56 -5.831 -2.617 -5.270 461 2HE LYS 56 1HE LYS 56 -5.329 -3.246 -6.839 462 1HZ LYS 56 3HZ LYS 56 -3.172 -3.661 -5.226 463 2HZ LYS 56 2HZ LYS 56 -4.491 -4.019 -4.219 464 3HZ LYS 56 1HZ LYS 56 -4.302 -4.833 -5.699 465 HA PRO 57 HA PRO 57 0.580 1.348 -7.269 466 1HB PRO 57 2HB PRO 57 0.891 0.959 -4.566 467 2HB PRO 57 1HB PRO 57 0.400 2.499 -5.292 468 1HG PRO 57 2HG PRO 57 -1.260 0.506 -3.820 469 2HG PRO 57 1HG PRO 57 -1.495 2.252 -3.992 470 1HD PRO 57 2HD PRO 57 -2.890 0.253 -5.420 471 2HD PRO 57 1HD PRO 57 -2.849 1.983 -5.823 472 H PHE 58 H PHE 58 2.342 -0.101 -7.161 473 HA PHE 58 HA PHE 58 1.695 -2.891 -6.319 474 1HB PHE 58 2HB PHE 58 2.509 -3.798 -8.289 475 2HB PHE 58 1HB PHE 58 1.840 -2.291 -8.906 476 HD1 PHE 58 HD1 PHE 58 5.006 -3.832 -7.640 477 HD2 PHE 58 HD2 PHE 58 3.220 -0.742 -10.033 478 HE1 PHE 58 HE1 PHE 58 7.246 -3.195 -8.490 479 HE2 PHE 58 HE2 PHE 58 5.460 -0.106 -10.881 480 HZ PHE 58 HZ PHE 58 7.473 -1.331 -10.110 481 HA PRO 59 HA PRO 59 2.787 -4.711 -6.371 482 1HB PRO 59 2HB PRO 59 3.537 -6.257 -4.225 483 2HB PRO 59 1HB PRO 59 4.480 -6.138 -5.720 484 1HG PRO 59 2HG PRO 59 5.027 -4.917 -3.056 485 2HG PRO 59 1HG PRO 59 6.163 -5.363 -4.340 486 1HD PRO 59 2HD PRO 59 5.249 -2.744 -3.774 487 2HD PRO 59 1HD PRO 59 6.111 -3.256 -5.239 488 H SER 60 H SER 60 1.456 -6.185 -4.515 489 HA SER 60 HA SER 60 -0.582 -4.425 -3.552 490 1HB SER 60 2HB SER 60 -0.340 -7.153 -3.888 491 2HB SER 60 1HB SER 60 -0.362 -6.991 -2.134 492 HG SER 60 HG SER 60 -2.306 -6.345 -4.040 493 H ASN 61 H ASN 61 -0.329 -3.013 -1.891 494 HA ASN 61 HA ASN 61 1.463 -3.815 0.365 495 1HB ASN 61 2HB ASN 61 0.551 -0.999 -0.240 496 2HB ASN 61 1HB ASN 61 1.924 -1.516 0.741 497 1HD2 ASN 61 2HD2 ASN 61 2.446 -0.948 -3.209 498 2HD2 ASN 61 1HD2 ASN 61 1.026 -0.494 -2.399 499 H LYS 62 H LYS 62 0.620 -2.181 2.356 500 HA LYS 62 HA LYS 62 -2.320 -2.528 2.595 501 1HB LYS 62 2HB LYS 62 -1.745 -3.340 5.027 502 2HB LYS 62 1HB LYS 62 -1.700 -4.491 3.691 503 1HG LYS 62 2HG LYS 62 0.642 -4.476 3.585 504 2HG LYS 62 1HG LYS 62 0.764 -2.932 4.431 505 1HD LYS 62 2HD LYS 62 0.647 -3.902 6.488 506 2HD LYS 62 1HD LYS 62 -0.555 -5.084 5.967 507 1HE LYS 62 2HE LYS 62 2.187 -5.367 4.837 508 2HE LYS 62 1HE LYS 62 1.978 -5.781 6.538 509 1HZ LYS 62 3HZ LYS 62 -0.159 -6.946 5.393 510 2HZ LYS 62 2HZ LYS 62 1.018 -7.135 4.182 511 3HZ LYS 62 1HZ LYS 62 1.297 -7.739 5.745 512 H LYS 63 H LYS 63 -3.277 -1.058 4.088 513 HA LYS 63 HA LYS 63 -1.507 1.226 4.796 514 1HB LYS 63 2HB LYS 63 -4.289 0.939 3.964 515 2HB LYS 63 1HB LYS 63 -4.137 1.925 5.417 516 1HG LYS 63 2HG LYS 63 -3.452 3.648 4.148 517 2HG LYS 63 1HG LYS 63 -2.037 2.706 3.673 518 1HD LYS 63 2HD LYS 63 -3.410 1.631 1.880 519 2HD LYS 63 1HD LYS 63 -4.746 2.701 2.308 520 1HE LYS 63 2HE LYS 63 -3.745 4.545 1.386 521 2HE LYS 63 1HE LYS 63 -2.121 4.006 1.813 522 1HZ LYS 63 3HZ LYS 63 -2.402 2.261 0.061 523 2HZ LYS 63 2HZ LYS 63 -3.811 3.070 -0.435 524 3HZ LYS 63 1HZ LYS 63 -2.305 3.851 -0.521 525 H THR 64 H THR 64 -2.704 2.360 6.923 526 HA THR 64 HA THR 64 -2.327 0.310 9.037 527 HB THR 64 HB THR 64 -2.787 2.945 10.089 528 HG1 THR 64 HG1 THR 64 -0.559 2.992 8.435 529 1HG2 THR 64 2HG2 THR 64 -1.326 0.867 10.810 530 2HG2 THR 64 1HG2 THR 64 -0.081 1.677 9.858 531 3HG2 THR 64 3HG2 THR 64 -0.815 2.501 11.234 532 H THR 65 H THR 65 -4.392 -0.728 8.870 533 HA THR 65 HA THR 65 -6.630 0.924 9.964 534 HB THR 65 HB THR 65 -7.718 -1.197 8.406 535 HG1 THR 65 HG1 THR 65 -6.441 -1.292 6.766 536 1HG2 THR 65 3HG2 THR 65 -8.528 1.203 8.981 537 2HG2 THR 65 2HG2 THR 65 -7.602 1.692 7.561 538 3HG2 THR 65 1HG2 THR 65 -8.932 0.544 7.396 539 H ALA 66 HN ALA 66 -4.856 -0.658 11.507 540 HA ALA 66 HA ALA 66 -6.771 -2.425 12.809 541 1HB ALA 66 3HB ALA 66 -5.963 -3.900 10.990 542 2HB ALA 66 2HB ALA 66 -4.303 -3.641 11.526 543 3HB ALA 66 1HB ALA 66 -5.447 -4.489 12.568 544 1H MET 1 2H MET 1 7.228 20.088 -8.692 545 2H MET 1 1H MET 1 8.442 21.163 -9.200 546 3H MET 1 3H MET 1 6.976 21.079 -10.050 547 HA MET 1 HA MET 1 7.590 19.307 -11.238 548 1HB MET 1 2HB MET 1 9.748 20.970 -10.733 549 2HB MET 1 1HB MET 1 10.395 19.368 -10.384 550 1HG MET 1 2HG MET 1 9.587 18.569 -12.581 551 2HG MET 1 1HG MET 1 8.969 20.183 -12.934 552 1HE MET 1 2HE MET 1 9.943 20.057 -14.931 553 2HE MET 1 1HE MET 1 10.720 21.629 -14.749 554 3HE MET 1 3HE MET 1 11.636 20.254 -15.380 555 H GLU 2 H GLU 2 6.627 17.508 -10.230 556 HA GLU 2 HA GLU 2 7.904 16.201 -7.950 557 1HB GLU 2 2HB GLU 2 5.815 14.909 -9.691 558 2HB GLU 2 1HB GLU 2 6.061 14.748 -7.952 559 1HG GLU 2 2HG GLU 2 4.507 16.345 -7.644 560 2HG GLU 2 1HG GLU 2 5.607 17.493 -8.406 561 H GLN 3 H GLN 3 9.419 14.599 -8.057 562 HA GLN 3 HA GLN 3 10.731 13.939 -10.501 563 1HB GLN 3 2HB GLN 3 10.714 12.692 -7.752 564 2HB GLN 3 1HB GLN 3 11.631 11.967 -9.073 565 1HG GLN 3 2HG GLN 3 13.112 13.743 -9.211 566 2HG GLN 3 1HG GLN 3 11.941 14.903 -8.580 567 1HE2 GLN 3 2HE2 GLN 3 13.750 14.679 -5.535 568 2HE2 GLN 3 1HE2 GLN 3 13.343 15.662 -6.857 569 NH1 ARG 4 NH2 ARG 4 3.681 11.383 -14.315 570 NH2 ARG 4 NH1 ARG 4 4.027 9.220 -13.759 571 H ARG 4 H ARG 4 9.303 13.139 -12.067 572 HA ARG 4 HA ARG 4 7.840 10.628 -11.364 573 1HB ARG 4 2HB ARG 4 7.319 12.817 -13.364 574 2HB ARG 4 1HB ARG 4 6.635 11.209 -13.608 575 1HG ARG 4 2HG ARG 4 6.324 12.709 -11.002 576 2HG ARG 4 1HG ARG 4 5.171 12.877 -12.327 577 1HD ARG 4 2HD ARG 4 5.841 10.084 -11.693 578 2HD ARG 4 1HD ARG 4 5.045 10.942 -10.372 579 HE ARG 4 HE ARG 4 3.069 10.963 -11.659 580 1HH1 ARG 4 1HH2 ARG 4 3.558 12.338 -14.045 581 2HH1 ARG 4 2HH2 ARG 4 3.657 11.130 -15.283 582 1HH2 ARG 4 2HH1 ARG 4 4.170 8.517 -13.061 583 2HH2 ARG 4 1HH1 ARG 4 4.004 8.968 -14.727 584 H ILE 5 H ILE 5 8.559 8.773 -12.269 585 HA ILE 5 HA ILE 5 9.958 8.837 -14.875 586 HB ILE 5 HB ILE 5 11.179 7.715 -12.338 587 1HG1 ILE 5 2HG1 ILE 5 13.071 9.285 -13.443 588 2HG1 ILE 5 1HG1 ILE 5 11.633 10.116 -14.039 589 1HG2 ILE 5 1HG2 ILE 5 11.385 6.356 -14.547 590 2HG2 ILE 5 3HG2 ILE 5 12.440 7.666 -15.074 591 3HG2 ILE 5 2HG2 ILE 5 12.859 6.714 -13.648 592 1HD1 ILE 5 2HD1 ILE 5 10.876 9.748 -11.484 593 2HD1 ILE 5 1HD1 ILE 5 12.624 9.809 -11.250 594 3HD1 ILE 5 3HD1 ILE 5 11.787 11.166 -12.003 595 H THR 6 H THR 6 9.321 7.081 -16.073 596 HA THR 6 HA THR 6 7.360 5.253 -15.055 597 HB THR 6 HB THR 6 8.945 4.414 -17.417 598 HG1 THR 6 HG1 THR 6 9.054 6.488 -17.940 599 1HG2 THR 6 3HG2 THR 6 6.053 4.724 -16.639 600 2HG2 THR 6 2HG2 THR 6 6.512 4.465 -18.322 601 3HG2 THR 6 1HG2 THR 6 6.921 3.260 -17.101 602 H LEU 7 H LEU 7 7.604 2.908 -14.813 603 HA LEU 7 HA LEU 7 9.820 2.150 -13.185 604 1HB LEU 7 2HB LEU 7 7.799 0.902 -12.937 605 2HB LEU 7 1HB LEU 7 7.719 0.551 -14.663 606 HG LEU 7 HG LEU 7 9.803 -0.793 -14.460 607 1HD1 LEU 7 1HD1 LEU 7 10.478 0.548 -12.331 608 2HD1 LEU 7 3HD1 LEU 7 9.469 -0.614 -11.470 609 3HD1 LEU 7 2HD1 LEU 7 10.865 -1.172 -12.393 610 1HD2 LEU 7 1HD2 LEU 7 7.439 -1.483 -12.701 611 2HD2 LEU 7 3HD2 LEU 7 7.771 -2.044 -14.339 612 3HD2 LEU 7 2HD2 LEU 7 8.755 -2.620 -12.994 613 H LYS 8 H LYS 8 9.514 2.423 -16.577 614 HA LYS 8 HA LYS 8 11.651 0.468 -17.143 615 1HB LYS 8 2HB LYS 8 11.247 0.997 -19.478 616 2HB LYS 8 1HB LYS 8 9.691 0.765 -18.679 617 1HG LYS 8 2HG LYS 8 9.205 3.055 -18.670 618 2HG LYS 8 1HG LYS 8 10.896 3.515 -18.859 619 1HD LYS 8 2HD LYS 8 10.688 2.224 -21.144 620 2HD LYS 8 1HD LYS 8 8.964 2.524 -20.927 621 1HE LYS 8 2HE LYS 8 10.009 4.979 -20.325 622 2HE LYS 8 1HE LYS 8 11.139 4.419 -21.558 623 1HZ LYS 8 1HZ LYS 8 8.183 4.439 -21.838 624 2HZ LYS 8 3HZ LYS 8 9.231 5.595 -22.504 625 3HZ LYS 8 2HZ LYS 8 9.302 3.981 -23.031 626 H ASP 9 H ASP 9 11.226 3.928 -16.775 627 HA ASP 9 HA ASP 9 13.842 4.565 -17.930 628 1HB ASP 9 2HB ASP 9 11.575 6.074 -16.740 629 2HB ASP 9 1HB ASP 9 13.170 6.809 -16.576 630 OH TYR 10 OH TYR 10 16.084 3.782 -7.355 631 H TYR 10 H TYR 10 12.476 4.014 -14.735 632 HA TYR 10 HA TYR 10 14.908 4.885 -13.350 633 1HB TYR 10 2HB TYR 10 12.672 5.079 -12.286 634 2HB TYR 10 1HB TYR 10 12.515 3.323 -12.324 635 HD1 TYR 10 HD1 TYR 10 15.321 5.651 -11.438 636 HD2 TYR 10 HD2 TYR 10 12.786 2.419 -10.191 637 HE1 TYR 10 HE1 TYR 10 16.574 5.494 -9.306 638 HE2 TYR 10 HE2 TYR 10 14.038 2.263 -8.054 639 HH TYR 10 HH TYR 10 16.974 4.106 -7.510 640 H ALA 11 H ALA 11 13.544 1.895 -14.572 641 HA ALA 11 HA ALA 11 15.507 0.225 -13.159 642 1HB ALA 11 1HB ALA 11 13.040 -0.343 -14.002 643 2HB ALA 11 3HB ALA 11 13.908 -0.804 -15.466 644 3HB ALA 11 2HB ALA 11 14.291 -1.584 -13.931 645 H MET 12 H MET 12 15.202 1.816 -16.250 646 HA MET 12 HA MET 12 17.400 0.237 -17.427 647 1HB MET 12 2HB MET 12 15.694 2.512 -18.456 648 2HB MET 12 1HB MET 12 17.052 1.850 -19.369 649 1HG MET 12 2HG MET 12 16.014 -0.390 -19.288 650 2HG MET 12 1HG MET 12 14.652 0.276 -18.387 651 1HE MET 12 2HE MET 12 13.782 -1.186 -20.083 652 2HE MET 12 1HE MET 12 12.536 -0.193 -20.835 653 3HE MET 12 3HE MET 12 13.787 -0.951 -21.829 654 NH1 ARG 13 NH1 ARG 13 16.184 8.890 -19.681 655 NH2 ARG 13 NH2 ARG 13 15.814 10.482 -18.118 656 H ARG 13 H ARG 13 16.788 3.542 -16.293 657 HA ARG 13 HA ARG 13 19.513 4.404 -16.904 658 1HB ARG 13 2HB ARG 13 17.163 5.648 -15.482 659 2HB ARG 13 1HB ARG 13 18.756 6.408 -15.434 660 1HG ARG 13 2HG ARG 13 18.720 6.950 -17.665 661 2HG ARG 13 1HG ARG 13 17.771 5.529 -18.103 662 1HD ARG 13 2HD ARG 13 15.956 6.858 -18.185 663 2HD ARG 13 1HD ARG 13 16.094 7.056 -16.439 664 HE ARG 13 HE ARG 13 17.671 9.017 -17.039 665 1HH1 ARG 13 2HH1 ARG 13 16.571 8.005 -19.939 666 2HH1 ARG 13 1HH1 ARG 13 15.694 9.438 -20.358 667 1HH2 ARG 13 1HH2 ARG 13 15.918 10.817 -17.183 668 2HH2 ARG 13 2HH2 ARG 13 15.324 11.032 -18.795 669 H PHE 14 H PHE 14 17.827 3.041 -14.149 670 HA PHE 14 HA PHE 14 20.322 3.397 -12.536 671 1HB PHE 14 2HB PHE 14 17.556 2.773 -11.470 672 2HB PHE 14 1HB PHE 14 18.972 3.285 -10.552 673 HD1 PHE 14 HD1 PHE 14 16.816 4.423 -13.411 674 HD2 PHE 14 HD2 PHE 14 19.230 5.544 -10.038 675 HE1 PHE 14 HE1 PHE 14 16.199 6.798 -13.761 676 HE2 PHE 14 HE2 PHE 14 18.611 7.920 -10.386 677 HZ PHE 14 HZ PHE 14 17.096 8.547 -12.247 678 H GLY 15 H GLY 15 18.495 1.149 -14.257 679 1HA GLY 15 2HA GLY 15 19.249 -1.130 -14.561 680 2HA GLY 15 1HA GLY 15 19.983 -1.071 -12.959 681 H GLN 16 H GLN 16 18.008 -3.003 -14.134 682 HA GLN 16 HA GLN 16 15.458 -2.556 -12.855 683 1HB GLN 16 2HB GLN 16 16.806 -5.050 -13.921 684 2HB GLN 16 1HB GLN 16 15.171 -5.049 -13.258 685 1HG GLN 16 2HG GLN 16 14.434 -4.441 -15.298 686 2HG GLN 16 1HG GLN 16 15.227 -2.886 -15.045 687 1HE2 GLN 16 2HE2 GLN 16 17.295 -5.741 -17.181 688 2HE2 GLN 16 1HE2 GLN 16 16.230 -6.244 -15.959 689 H THR 17 H THR 17 18.420 -4.253 -11.930 690 HA THR 17 HA THR 17 17.412 -5.459 -9.544 691 HB THR 17 HB THR 17 20.239 -4.442 -9.882 692 HG1 THR 17 HG1 THR 17 20.022 -5.537 -11.708 693 1HG2 THR 17 3HG2 THR 17 18.816 -6.481 -8.238 694 2HG2 THR 17 2HG2 THR 17 20.444 -6.878 -8.788 695 3HG2 THR 17 1HG2 THR 17 20.172 -5.437 -7.809 696 H LYS 18 H LYS 18 18.427 -2.196 -10.294 697 HA LYS 18 HA LYS 18 18.620 -1.371 -7.499 698 1HB LYS 18 2HB LYS 18 18.865 -0.069 -10.160 699 2HB LYS 18 1HB LYS 18 18.358 0.967 -8.825 700 1HG LYS 18 2HG LYS 18 20.330 -0.097 -7.521 701 2HG LYS 18 1HG LYS 18 20.907 -0.619 -9.104 702 1HD LYS 18 2HD LYS 18 20.213 2.060 -9.480 703 2HD LYS 18 1HD LYS 18 20.992 2.031 -7.898 704 1HE LYS 18 2HE LYS 18 22.603 0.366 -9.420 705 2HE LYS 18 1HE LYS 18 22.164 1.644 -10.552 706 1HZ LYS 18 1HZ LYS 18 22.696 3.064 -8.363 707 2HZ LYS 18 3HZ LYS 18 23.775 1.774 -8.146 708 3HZ LYS 18 2HZ LYS 18 23.851 2.713 -9.559 709 H THR 19 H THR 19 16.235 -1.052 -10.113 710 HA THR 19 HA THR 19 14.342 0.524 -8.681 711 HB THR 19 HB THR 19 13.738 -1.613 -10.751 712 HG1 THR 19 HG1 THR 19 13.748 0.619 -11.944 713 1HG2 THR 19 2HG2 THR 19 12.217 0.608 -9.474 714 2HG2 THR 19 1HG2 THR 19 11.963 0.349 -11.200 715 3HG2 THR 19 3HG2 THR 19 11.646 -0.956 -10.057 716 H ALA 20 H ALA 20 15.048 -2.920 -8.646 717 HA ALA 20 HA ALA 20 12.683 -3.559 -7.034 718 1HB ALA 20 1HB ALA 20 14.440 -5.038 -8.629 719 2HB ALA 20 3HB ALA 20 14.815 -5.548 -6.982 720 3HB ALA 20 2HB ALA 20 13.168 -5.693 -7.597 721 H LYS 21 H LYS 21 15.922 -2.490 -6.495 722 HA LYS 21 HA LYS 21 16.126 -3.507 -3.772 723 1HB LYS 21 2HB LYS 21 18.000 -2.688 -5.489 724 2HB LYS 21 1HB LYS 21 17.717 -1.147 -4.679 725 1HG LYS 21 2HG LYS 21 19.303 -2.002 -3.246 726 2HG LYS 21 1HG LYS 21 17.865 -2.708 -2.506 727 1HD LYS 21 2HD LYS 21 18.655 -4.771 -2.919 728 2HD LYS 21 1HD LYS 21 18.697 -4.416 -4.646 729 1HE LYS 21 2HE LYS 21 20.944 -4.406 -4.576 730 2HE LYS 21 1HE LYS 21 20.890 -3.052 -3.447 731 1HZ LYS 21 3HZ LYS 21 20.225 -5.412 -2.080 732 2HZ LYS 21 2HZ LYS 21 21.667 -5.679 -2.938 733 3HZ LYS 21 1HZ LYS 21 21.556 -4.392 -1.836 734 H ASP 22 H ASP 22 15.171 -0.468 -5.304 735 HA ASP 22 HA ASP 22 14.788 0.889 -2.742 736 1HB ASP 22 2HB ASP 22 15.134 1.757 -5.332 737 2HB ASP 22 1HB ASP 22 13.404 2.000 -5.089 738 H LEU 23 H LEU 23 12.777 -0.745 -5.141 739 HA LEU 23 HA LEU 23 10.318 -0.134 -3.644 740 1HB LEU 23 2HB LEU 23 10.947 -1.631 -6.184 741 2HB LEU 23 1HB LEU 23 9.361 -1.775 -5.426 742 HG LEU 23 HG LEU 23 10.402 0.988 -5.705 743 1HD1 LEU 23 1HD1 LEU 23 10.978 -0.337 -7.870 744 2HD1 LEU 23 3HD1 LEU 23 9.236 -0.354 -8.139 745 3HD1 LEU 23 2HD1 LEU 23 10.096 1.182 -8.030 746 1HD2 LEU 23 2HD2 LEU 23 7.799 -0.496 -5.899 747 2HD2 LEU 23 1HD2 LEU 23 8.218 0.890 -4.893 748 3HD2 LEU 23 3HD2 LEU 23 7.932 1.109 -6.619 749 H GLY 24 H GLY 24 12.788 -2.466 -3.543 750 1HA GLY 24 2HA GLY 24 13.019 -4.416 -2.260 751 2HA GLY 24 1HA GLY 24 11.574 -3.905 -1.386 752 H VAL 25 H VAL 25 11.896 -4.660 -4.851 753 HA VAL 25 HA VAL 25 9.862 -6.814 -4.426 754 HB VAL 25 HB VAL 25 10.308 -5.582 -7.118 755 1HG1 VAL 25 3HG1 VAL 25 8.463 -7.354 -5.868 756 2HG1 VAL 25 2HG1 VAL 25 7.579 -5.884 -6.277 757 3HG1 VAL 25 1HG1 VAL 25 8.441 -6.771 -7.533 758 1HG2 VAL 25 1HG2 VAL 25 8.748 -4.291 -4.855 759 2HG2 VAL 25 3HG2 VAL 25 10.183 -3.629 -5.638 760 3HG2 VAL 25 2HG2 VAL 25 8.678 -3.787 -6.543 761 OH TYR 26 OH TYR 26 6.908 -10.939 -3.513 762 H TYR 26 H TYR 26 10.035 -8.258 -6.678 763 HA TYR 26 HA TYR 26 12.754 -9.408 -6.492 764 1HB TYR 26 2HB TYR 26 10.733 -10.628 -8.298 765 2HB TYR 26 1HB TYR 26 11.826 -11.400 -7.150 766 HD1 TYR 26 HD1 TYR 26 11.332 -10.936 -4.607 767 HD2 TYR 26 HD2 TYR 26 8.467 -10.428 -7.766 768 HE1 TYR 26 HE1 TYR 26 9.486 -11.094 -2.958 769 HE2 TYR 26 HE2 TYR 26 6.620 -10.586 -6.117 770 HH TYR 26 HH TYR 26 6.107 -10.615 -3.931 771 H GLN 27 H GLN 27 14.005 -9.859 -8.428 772 HA GLN 27 HA GLN 27 14.041 -7.695 -10.314 773 1HB GLN 27 2HB GLN 27 15.367 -10.418 -10.301 774 2HB GLN 27 1HB GLN 27 15.648 -9.225 -11.572 775 1HG GLN 27 2HG GLN 27 16.960 -7.944 -10.239 776 2HG GLN 27 1HG GLN 27 15.887 -8.132 -8.852 777 1HE2 GLN 27 2HE2 GLN 27 19.220 -10.366 -9.052 778 2HE2 GLN 27 1HE2 GLN 27 18.917 -9.070 -10.105 779 H SER 28 H SER 28 12.509 -10.847 -10.297 780 HA SER 28 HA SER 28 11.850 -10.793 -13.142 781 1HB SER 28 2HB SER 28 11.877 -12.749 -11.165 782 2HB SER 28 1HB SER 28 10.161 -12.492 -11.465 783 HG SER 28 HG SER 28 12.084 -13.625 -13.047 784 H ALA 29 H ALA 29 10.613 -9.289 -10.348 785 HA ALA 29 HA ALA 29 7.839 -9.137 -11.300 786 1HB ALA 29 2HB ALA 29 9.298 -8.464 -8.865 787 2HB ALA 29 1HB ALA 29 8.203 -7.168 -9.349 788 3HB ALA 29 3HB ALA 29 7.578 -8.795 -9.079 789 H ILE 30 H ILE 30 10.697 -7.067 -11.147 790 HA ILE 30 HA ILE 30 9.352 -4.773 -12.319 791 HB ILE 30 HB ILE 30 12.191 -5.504 -11.655 792 1HG1 ILE 30 2HG1 ILE 30 11.318 -2.853 -10.944 793 2HG1 ILE 30 1HG1 ILE 30 10.081 -4.020 -10.475 794 1HG2 ILE 30 2HG2 ILE 30 11.311 -3.609 -13.749 795 2HG2 ILE 30 1HG2 ILE 30 12.458 -2.956 -12.580 796 3HG2 ILE 30 3HG2 ILE 30 12.876 -4.388 -13.520 797 1HD1 ILE 30 3HD1 ILE 30 12.463 -5.266 -9.754 798 2HD1 ILE 30 2HD1 ILE 30 12.732 -3.575 -9.334 799 3HD1 ILE 30 1HD1 ILE 30 11.355 -4.443 -8.657 800 H ASN 31 H ASN 31 11.250 -7.498 -13.509 801 HA ASN 31 HA ASN 31 11.444 -6.494 -16.228 802 1HB ASN 31 2HB ASN 31 12.653 -8.538 -14.826 803 2HB ASN 31 1HB ASN 31 11.540 -9.416 -15.876 804 1HD2 ASN 31 2HD2 ASN 31 13.898 -9.131 -18.477 805 2HD2 ASN 31 1HD2 ASN 31 12.915 -10.150 -17.540 806 H LYS 32 H LYS 32 9.124 -8.407 -14.411 807 HA LYS 32 HA LYS 32 7.650 -9.314 -16.742 808 1HB LYS 32 2HB LYS 32 7.080 -9.244 -13.782 809 2HB LYS 32 1HB LYS 32 5.841 -9.735 -14.937 810 1HG LYS 32 2HG LYS 32 7.232 -11.532 -15.767 811 2HG LYS 32 1HG LYS 32 8.602 -10.975 -14.806 812 1HD LYS 32 2HD LYS 32 7.843 -12.551 -13.332 813 2HD LYS 32 1HD LYS 32 6.749 -11.253 -12.850 814 1HE LYS 32 2HE LYS 32 5.964 -13.038 -15.127 815 2HE LYS 32 1HE LYS 32 5.783 -13.629 -13.476 816 1HZ LYS 32 2HZ LYS 32 4.826 -11.019 -13.537 817 2HZ LYS 32 1HZ LYS 32 4.154 -11.817 -14.878 818 3HZ LYS 32 3HZ LYS 32 3.935 -12.449 -13.319 819 H ALA 33 H ALA 33 7.313 -6.638 -14.434 820 HA ALA 33 HA ALA 33 4.836 -5.645 -15.508 821 1HB ALA 33 3HB ALA 33 6.824 -4.778 -13.559 822 2HB ALA 33 2HB ALA 33 6.223 -3.426 -14.519 823 3HB ALA 33 1HB ALA 33 5.096 -4.437 -13.615 824 H ILE 34 H ILE 34 8.213 -5.215 -16.375 825 HA ILE 34 HA ILE 34 7.612 -3.097 -18.320 826 HB ILE 34 HB ILE 34 10.115 -4.684 -17.690 827 1HG1 ILE 34 2HG1 ILE 34 9.251 -2.889 -16.091 828 2HG1 ILE 34 1HG1 ILE 34 10.891 -2.645 -16.693 829 1HG2 ILE 34 1HG2 ILE 34 9.421 -2.988 -19.998 830 2HG2 ILE 34 3HG2 ILE 34 10.918 -2.526 -19.187 831 3HG2 ILE 34 2HG2 ILE 34 10.724 -4.162 -19.815 832 1HD1 ILE 34 2HD1 ILE 34 8.508 -1.435 -18.096 833 2HD1 ILE 34 1HD1 ILE 34 9.298 -0.613 -16.750 834 3HD1 ILE 34 3HD1 ILE 34 10.206 -0.971 -18.218 835 H HIS 35 H HIS 35 7.855 -6.564 -18.234 836 HA HIS 35 HA HIS 35 8.226 -6.928 -21.093 837 1HB HIS 35 2HB HIS 35 7.456 -8.719 -18.797 838 2HB HIS 35 1HB HIS 35 7.337 -9.298 -20.457 839 HD1 HIS 35 HD1 HIS 35 9.875 -7.793 -21.558 840 HD2 HIS 35 HD2 HIS 35 9.791 -10.109 -18.093 841 HE1 HIS 35 HE1 HIS 35 12.261 -8.522 -21.125 842 H ALA 36 H ALA 36 5.501 -6.400 -18.981 843 HA ALA 36 HA ALA 36 3.540 -7.305 -20.975 844 1HB ALA 36 1HB ALA 36 3.524 -6.785 -18.179 845 2HB ALA 36 3HB ALA 36 2.367 -5.680 -18.920 846 3HB ALA 36 2HB ALA 36 2.207 -7.418 -19.168 847 H GLY 37 H GLY 37 5.366 -4.502 -20.434 848 1HA GLY 37 2HA GLY 37 5.232 -2.331 -21.317 849 2HA GLY 37 1HA GLY 37 4.312 -3.075 -22.626 850 NH1 ARG 38 NH2 ARG 38 -2.341 -6.109 -18.235 851 NH2 ARG 38 NH1 ARG 38 -2.969 -5.369 -20.276 852 H ARG 38 H ARG 38 3.179 -3.275 -19.328 853 HA ARG 38 HA ARG 38 0.684 -1.966 -20.072 854 1HB ARG 38 2HB ARG 38 1.700 -3.543 -17.833 855 2HB ARG 38 1HB ARG 38 0.713 -2.184 -17.294 856 1HG ARG 38 2HG ARG 38 -0.599 -4.289 -17.761 857 2HG ARG 38 1HG ARG 38 -1.133 -2.884 -18.684 858 1HD ARG 38 2HD ARG 38 -0.438 -3.763 -20.675 859 2HD ARG 38 1HD ARG 38 0.990 -4.511 -19.960 860 HE ARG 38 HE ARG 38 -0.304 -6.475 -20.053 861 1HH1 ARG 38 1HH2 ARG 38 -1.620 -6.373 -17.593 862 2HH1 ARG 38 2HH2 ARG 38 -3.300 -6.151 -17.954 863 1HH2 ARG 38 2HH1 ARG 38 -2.732 -5.065 -21.198 864 2HH2 ARG 38 1HH1 ARG 38 -3.929 -5.411 -19.996 865 H LYS 39 H LYS 39 -0.075 -0.355 -18.081 866 HA LYS 39 HA LYS 39 1.741 1.955 -18.379 867 1HB LYS 39 2HB LYS 39 -0.986 1.756 -17.064 868 2HB LYS 39 1HB LYS 39 -0.112 3.247 -17.414 869 1HG LYS 39 2HG LYS 39 -0.511 1.380 -19.694 870 2HG LYS 39 1HG LYS 39 -1.946 2.217 -19.101 871 1HD LYS 39 2HD LYS 39 -1.207 4.263 -19.799 872 2HD LYS 39 1HD LYS 39 0.477 3.895 -19.423 873 1HE LYS 39 2HE LYS 39 0.766 2.664 -21.443 874 2HE LYS 39 1HE LYS 39 -0.970 2.601 -21.740 875 1HZ LYS 39 1HZ LYS 39 0.046 5.273 -21.464 876 2HZ LYS 39 3HZ LYS 39 0.735 4.438 -22.769 877 3HZ LYS 39 2HZ LYS 39 -0.953 4.611 -22.669 878 H ILE 40 H ILE 40 3.427 1.074 -16.995 879 HA ILE 40 HA ILE 40 2.722 1.163 -14.091 880 HB ILE 40 HB ILE 40 5.200 -0.032 -15.373 881 1HG1 ILE 40 2HG1 ILE 40 2.967 -1.142 -15.967 882 2HG1 ILE 40 1HG1 ILE 40 4.166 -2.180 -15.196 883 1HG2 ILE 40 3HG2 ILE 40 4.220 0.366 -12.610 884 2HG2 ILE 40 2HG2 ILE 40 4.839 -1.249 -12.956 885 3HG2 ILE 40 1HG2 ILE 40 5.868 0.162 -13.202 886 1HD1 ILE 40 1HD1 ILE 40 2.439 -0.756 -13.290 887 2HD1 ILE 40 3HD1 ILE 40 1.568 -1.876 -14.336 888 3HD1 ILE 40 2HD1 ILE 40 2.899 -2.458 -13.337 889 H PHE 41 H PHE 41 3.025 3.265 -13.501 890 HA PHE 41 HA PHE 41 5.417 4.699 -14.523 891 1HB PHE 41 2HB PHE 41 3.200 5.835 -12.808 892 2HB PHE 41 1HB PHE 41 4.313 6.707 -13.866 893 HD1 PHE 41 HD2 PHE 41 4.200 4.652 -16.172 894 HD2 PHE 41 HD1 PHE 41 1.139 6.589 -13.860 895 HE1 PHE 41 HE2 PHE 41 2.618 4.412 -18.062 896 HE2 PHE 41 HE1 PHE 41 -0.443 6.345 -15.752 897 HZ PHE 41 HZ PHE 41 0.296 5.257 -17.854 898 H LEU 42 H LEU 42 6.759 5.886 -12.928 899 HA LEU 42 HA LEU 42 6.710 4.570 -10.241 900 1HB LEU 42 2HB LEU 42 8.737 4.461 -12.235 901 2HB LEU 42 1HB LEU 42 9.354 5.452 -10.912 902 HG LEU 42 HG LEU 42 8.829 3.694 -9.300 903 1HD1 LEU 42 1HD1 LEU 42 7.671 2.319 -11.733 904 2HD1 LEU 42 3HD1 LEU 42 8.069 1.451 -10.250 905 3HD1 LEU 42 2HD1 LEU 42 6.849 2.724 -10.227 906 1HD2 LEU 42 2HD2 LEU 42 10.672 3.405 -11.509 907 2HD2 LEU 42 1HD2 LEU 42 10.884 2.930 -9.824 908 3HD2 LEU 42 3HD2 LEU 42 10.128 1.818 -10.967 909 H THR 43 H THR 43 5.869 6.208 -9.015 910 HA THR 43 HA THR 43 6.879 8.970 -9.376 911 HB THR 43 HB THR 43 4.680 7.773 -7.671 912 HG1 THR 43 HG1 THR 43 4.310 8.136 -9.918 913 1HG2 THR 43 1HG2 THR 43 5.846 10.557 -7.712 914 2HG2 THR 43 3HG2 THR 43 4.192 10.248 -7.183 915 3HG2 THR 43 2HG2 THR 43 5.544 9.521 -6.317 916 H ILE 44 H ILE 44 8.763 9.416 -8.318 917 HA ILE 44 HA ILE 44 9.319 7.986 -5.765 918 HB ILE 44 HB ILE 44 11.270 9.781 -7.197 919 1HG1 ILE 44 2HG1 ILE 44 11.933 7.315 -8.117 920 2HG1 ILE 44 1HG1 ILE 44 10.176 7.161 -8.073 921 1HG2 ILE 44 3HG2 ILE 44 11.533 7.275 -5.504 922 2HG2 ILE 44 2HG2 ILE 44 12.880 8.176 -6.201 923 3HG2 ILE 44 1HG2 ILE 44 11.862 8.924 -4.969 924 1HD1 ILE 44 2HD1 ILE 44 11.245 9.687 -9.214 925 2HD1 ILE 44 1HD1 ILE 44 11.495 8.229 -10.175 926 3HD1 ILE 44 3HD1 ILE 44 9.861 8.719 -9.723 927 H ASN 45 H ASN 45 8.613 9.088 -3.999 928 HA ASN 45 HA ASN 45 7.931 11.830 -3.910 929 1HB ASN 45 2HB ASN 45 8.950 10.239 -1.547 930 2HB ASN 45 1HB ASN 45 7.809 11.583 -1.529 931 1HD2 ASN 45 2HD2 ASN 45 5.899 8.341 -1.373 932 2HD2 ASN 45 1HD2 ASN 45 7.126 9.023 -0.418 933 H ALA 46 H ALA 46 9.087 13.667 -3.452 934 HA ALA 46 HA ALA 46 11.757 13.978 -4.101 935 1HB ALA 46 3HB ALA 46 9.803 15.526 -2.541 936 2HB ALA 46 2HB ALA 46 11.482 15.866 -2.122 937 3HB ALA 46 1HB ALA 46 10.930 16.064 -3.785 938 H ASP 47 H ASP 47 10.523 12.555 -1.176 939 HA ASP 47 HA ASP 47 13.025 12.918 0.304 940 1HB ASP 47 2HB ASP 47 10.627 12.688 1.278 941 2HB ASP 47 1HB ASP 47 10.854 10.957 1.023 942 H GLY 48 H GLY 48 13.116 11.487 -2.321 943 1HA GLY 48 2HA GLY 48 14.231 9.630 -3.207 944 2HA GLY 48 1HA GLY 48 14.910 9.392 -1.595 945 H SER 49 H SER 49 11.470 9.495 -1.824 946 HA SER 49 HA SER 49 11.381 6.630 -1.083 947 1HB SER 49 2HB SER 49 9.789 8.956 -0.511 948 2HB SER 49 1HB SER 49 8.765 7.717 -1.231 949 HG SER 49 HG SER 49 10.629 6.994 0.734 950 H VAL 50 H VAL 50 10.183 5.078 -2.289 951 HA VAL 50 HA VAL 50 9.738 5.878 -5.127 952 HB VAL 50 HB VAL 50 9.950 3.085 -3.961 953 1HG1 VAL 50 3HG1 VAL 50 9.560 4.250 -6.680 954 2HG1 VAL 50 2HG1 VAL 50 10.606 2.836 -6.547 955 3HG1 VAL 50 1HG1 VAL 50 8.931 2.749 -6.001 956 1HG2 VAL 50 2HG2 VAL 50 11.985 5.072 -4.799 957 2HG2 VAL 50 1HG2 VAL 50 12.141 3.691 -3.714 958 3HG2 VAL 50 3HG2 VAL 50 12.196 3.451 -5.460 959 OH TYR 51 OH TYR 51 -0.019 5.202 -2.758 960 H TYR 51 H TYR 51 7.744 5.481 -6.117 961 HA TYR 51 HA TYR 51 5.598 4.191 -4.538 962 1HB TYR 51 2HB TYR 51 5.748 6.779 -4.129 963 2HB TYR 51 1HB TYR 51 5.059 6.895 -5.748 964 HD1 TYR 51 HD1 TYR 51 2.907 5.560 -6.234 965 HD2 TYR 51 HD2 TYR 51 4.365 6.344 -2.270 966 HE1 TYR 51 HE1 TYR 51 0.651 5.097 -5.311 967 HE2 TYR 51 HE2 TYR 51 2.111 5.880 -1.348 968 HH TYR 51 HH TYR 51 -0.539 4.775 -3.444 969 H ALA 52 H ALA 52 5.902 2.634 -6.320 970 HA ALA 52 HA ALA 52 5.404 3.503 -9.059 971 1HB ALA 52 1HB ALA 52 6.706 1.381 -8.146 972 2HB ALA 52 3HB ALA 52 5.105 0.644 -8.196 973 3HB ALA 52 2HB ALA 52 5.820 1.297 -9.668 974 H GLU 53 H GLU 53 3.481 3.338 -10.202 975 HA GLU 53 HA GLU 53 1.134 2.183 -8.798 976 1HB GLU 53 2HB GLU 53 1.623 5.010 -9.313 977 2HB GLU 53 1HB GLU 53 0.123 4.450 -10.055 978 1HG GLU 53 2HG GLU 53 0.281 3.281 -7.460 979 2HG GLU 53 1HG GLU 53 0.634 5.001 -7.291 980 H GLU 54 H GLU 54 -0.687 1.868 -10.262 981 HA GLU 54 HA GLU 54 0.210 1.421 -13.078 982 1HB GLU 54 2HB GLU 54 -0.356 -0.668 -11.843 983 2HB GLU 54 1HB GLU 54 -1.959 -0.016 -11.501 984 1HG GLU 54 2HG GLU 54 -2.016 0.315 -14.134 985 2HG GLU 54 1HG GLU 54 -0.816 -0.978 -14.095 986 H VAL 55 H VAL 55 -1.337 2.087 -14.718 987 HA VAL 55 HA VAL 55 -3.789 3.407 -13.790 988 HB VAL 55 HB VAL 55 -2.338 5.271 -15.499 989 1HG1 VAL 55 3HG1 VAL 55 -4.057 5.203 -13.110 990 2HG1 VAL 55 2HG1 VAL 55 -2.855 6.494 -13.086 991 3HG1 VAL 55 1HG1 VAL 55 -4.001 6.381 -14.422 992 1HG2 VAL 55 2HG2 VAL 55 -0.365 4.344 -14.315 993 2HG2 VAL 55 1HG2 VAL 55 -0.699 5.998 -13.804 994 3HG2 VAL 55 3HG2 VAL 55 -1.158 4.646 -12.769 995 H LYS 56 H LYS 56 -5.256 2.661 -15.190 996 HA LYS 56 HA LYS 56 -4.730 2.896 -18.081 997 1HB LYS 56 2HB LYS 56 -3.957 0.697 -17.871 998 2HB LYS 56 1HB LYS 56 -5.113 0.308 -16.599 999 1HG LYS 56 2HG LYS 56 -6.105 1.026 -19.348 1000 2HG LYS 56 1HG LYS 56 -5.517 -0.607 -19.030 1001 1HD LYS 56 2HD LYS 56 -7.160 -0.010 -16.844 1002 2HD LYS 56 1HD LYS 56 -8.028 0.626 -18.239 1003 1HE LYS 56 2HE LYS 56 -7.565 -1.617 -19.376 1004 2HE LYS 56 1HE LYS 56 -7.057 -2.204 -17.792 1005 1HZ LYS 56 1HZ LYS 56 -9.637 -0.828 -18.045 1006 2HZ LYS 56 3HZ LYS 56 -9.518 -2.440 -18.560 1007 3HZ LYS 56 2HZ LYS 56 -9.161 -2.034 -16.948 1008 HA PRO 57 HA PRO 57 -8.990 4.073 -17.674 1009 1HB PRO 57 2HB PRO 57 -9.417 4.548 -20.344 1010 2HB PRO 57 1HB PRO 57 -8.546 5.664 -19.279 1011 1HG PRO 57 2HG PRO 57 -7.461 3.826 -21.362 1012 2HG PRO 57 1HG PRO 57 -6.796 5.350 -20.753 1013 1HD PRO 57 2HD PRO 57 -5.924 2.762 -20.031 1014 2HD PRO 57 1HD PRO 57 -5.516 4.272 -19.190 1015 H PHE 58 H PHE 58 -10.967 3.012 -17.862 1016 HA PHE 58 HA PHE 58 -10.922 0.347 -19.159 1017 1HB PHE 58 2HB PHE 58 -11.758 0.656 -16.797 1018 2HB PHE 58 1HB PHE 58 -13.099 1.589 -17.460 1019 HD1 PHE 58 HD1 PHE 58 -14.544 0.454 -19.289 1020 HD2 PHE 58 HD2 PHE 58 -11.895 -1.683 -16.670 1021 HE1 PHE 58 HE1 PHE 58 -15.779 -1.646 -19.753 1022 HE2 PHE 58 HE2 PHE 58 -13.130 -3.784 -17.135 1023 HZ PHE 58 HZ PHE 58 -15.072 -3.764 -18.675 1024 HA PRO 59 HA PRO 59 -12.009 -1.038 -19.971 1025 1HB PRO 59 2HB PRO 59 -12.254 -2.076 -22.502 1026 2HB PRO 59 1HB PRO 59 -13.602 -1.974 -21.355 1027 1HG PRO 59 2HG PRO 59 -13.079 -0.333 -23.779 1028 2HG PRO 59 1HG PRO 59 -14.612 -0.661 -22.955 1029 1HD PRO 59 2HD PRO 59 -13.062 1.722 -22.768 1030 2HD PRO 59 1HD PRO 59 -14.476 1.293 -21.779 1031 H SER 60 H SER 60 -10.426 -2.478 -21.694 1032 HA SER 60 HA SER 60 -7.879 -1.369 -21.530 1033 1HB SER 60 2HB SER 60 -7.182 -3.010 -23.177 1034 2HB SER 60 1HB SER 60 -8.428 -3.738 -22.169 1035 HG SER 60 HG SER 60 -8.447 -3.091 -24.841 1036 H ASN 61 H ASN 61 -6.481 -0.792 -23.557 1037 HA ASN 61 HA ASN 61 -7.993 1.252 -25.135 1038 1HB ASN 61 2HB ASN 61 -6.167 2.057 -23.562 1039 2HB ASN 61 1HB ASN 61 -5.013 1.207 -24.591 1040 1HD2 ASN 61 2HD2 ASN 61 -4.797 4.202 -26.464 1041 2HD2 ASN 61 1HD2 ASN 61 -3.983 3.102 -25.461 1042 H LYS 62 H LYS 62 -8.306 0.614 -27.211 1043 HA LYS 62 HA LYS 62 -6.054 -0.709 -28.635 1044 1HB LYS 62 2HB LYS 62 -8.282 -2.133 -27.739 1045 2HB LYS 62 1HB LYS 62 -8.637 -1.802 -29.435 1046 1HG LYS 62 2HG LYS 62 -6.034 -2.990 -28.432 1047 2HG LYS 62 1HG LYS 62 -7.364 -3.929 -29.111 1048 1HD LYS 62 2HD LYS 62 -7.135 -2.897 -31.249 1049 2HD LYS 62 1HD LYS 62 -6.079 -1.638 -30.608 1050 1HE LYS 62 2HE LYS 62 -4.275 -3.152 -30.311 1051 2HE LYS 62 1HE LYS 62 -5.323 -4.559 -30.487 1052 1HZ LYS 62 1HZ LYS 62 -5.777 -3.511 -32.807 1053 2HZ LYS 62 3HZ LYS 62 -4.287 -2.742 -32.548 1054 3HZ LYS 62 2HZ LYS 62 -4.378 -4.440 -32.551 1055 H LYS 63 H LYS 63 -6.998 2.001 -28.770 1056 HA LYS 63 HA LYS 63 -8.629 2.173 -31.218 1057 1HB LYS 63 2HB LYS 63 -8.311 3.828 -29.030 1058 2HB LYS 63 1HB LYS 63 -7.351 4.640 -30.268 1059 1HG LYS 63 2HG LYS 63 -9.187 5.251 -31.435 1060 2HG LYS 63 1HG LYS 63 -9.908 3.647 -31.293 1061 1HD LYS 63 2HD LYS 63 -10.707 4.148 -29.052 1062 2HD LYS 63 1HD LYS 63 -9.877 5.705 -29.067 1063 1HE LYS 63 2HE LYS 63 -11.758 6.602 -29.924 1064 2HE LYS 63 1HE LYS 63 -11.434 5.697 -31.402 1065 1HZ LYS 63 2HZ LYS 63 -12.796 4.440 -29.103 1066 2HZ LYS 63 1HZ LYS 63 -13.665 5.343 -30.250 1067 3HZ LYS 63 3HZ LYS 63 -12.805 3.964 -30.734 1068 H THR 64 H THR 64 -7.647 1.956 -33.161 1069 HA THR 64 HA THR 64 -4.780 2.761 -33.394 1070 HB THR 64 HB THR 64 -4.728 1.286 -35.380 1071 HG1 THR 64 HG1 THR 64 -6.551 0.773 -36.242 1072 1HG2 THR 64 3HG2 THR 64 -4.680 0.522 -32.781 1073 2HG2 THR 64 2HG2 THR 64 -6.016 -0.470 -33.368 1074 3HG2 THR 64 1HG2 THR 64 -4.425 -0.596 -34.121 1075 H THR 65 H THR 65 -7.580 4.213 -33.757 1076 HA THR 65 HA THR 65 -6.692 5.681 -36.191 1077 HB THR 65 HB THR 65 -9.625 5.319 -35.793 1078 HG1 THR 65 HG1 THR 65 -8.327 3.380 -37.293 1079 1HG2 THR 65 3HG2 THR 65 -7.729 6.104 -37.863 1080 2HG2 THR 65 2HG2 THR 65 -8.883 4.904 -38.448 1081 3HG2 THR 65 1HG2 THR 65 -9.462 6.420 -37.754 1082 H ALA 66 HN ALA 66 -6.276 7.691 -35.401 1083 HA ALA 66 HA ALA 66 -7.296 8.767 -32.985 1084 1HB ALA 66 2HB ALA 66 -5.537 9.609 -35.018 1085 2HB ALA 66 1HB ALA 66 -6.784 10.852 -34.930 1086 3HB ALA 66 3HB ALA 66 -5.859 10.428 -33.490 No H/Q in entry = 1086
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