NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
25835 | 2kck | 16083 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 21.668 -5.871 -7.528 2 H2 MET 1 2H MET 1 21.435 -7.164 -8.605 3 H3 MET 1 3H MET 1 22.013 -7.457 -7.035 4 HA MET 1 HA MET 1 19.320 -6.417 -7.730 5 HB2 MET 1 1HB MET 1 20.294 -9.106 -6.715 6 HB3 MET 1 2HB MET 1 18.598 -8.625 -6.763 7 HG2 MET 1 1HG MET 1 18.748 -8.298 -9.200 8 HG3 MET 1 2HG MET 1 20.450 -8.760 -9.162 9 HE1 MET 1 3HE MET 1 18.793 -10.088 -11.131 10 HE2 MET 1 1HE MET 1 18.958 -11.831 -10.895 11 HE3 MET 1 2HE MET 1 20.373 -10.786 -10.782 12 H VAL 2 H VAL 2 17.996 -7.133 -5.553 13 HA VAL 2 HA VAL 2 19.270 -5.558 -3.399 14 HB VAL 2 HB VAL 2 16.406 -6.492 -3.719 15 HG11 VAL 2 1HG1 VAL 2 16.038 -4.740 -1.919 16 HG12 VAL 2 2HG1 VAL 2 17.789 -4.679 -1.718 17 HG13 VAL 2 3HG1 VAL 2 16.913 -6.171 -1.377 18 HG21 VAL 2 3HG2 VAL 2 17.122 -4.833 -5.420 19 HG22 VAL 2 1HG2 VAL 2 17.685 -3.769 -4.132 20 HG23 VAL 2 2HG2 VAL 2 15.966 -4.136 -4.285 21 H ASP 3 H ASP 3 20.393 -6.702 -1.975 22 HA ASP 3 HA ASP 3 19.169 -9.096 -0.759 23 HB2 ASP 3 1HB ASP 3 21.941 -8.999 -1.970 24 HB3 ASP 3 2HB ASP 3 21.383 -10.264 -0.877 25 H GLN 4 H GLN 4 18.970 -8.462 1.262 26 HA GLN 4 HA GLN 4 21.367 -7.491 2.713 27 HB2 GLN 4 1HB GLN 4 18.610 -6.227 2.763 28 HB3 GLN 4 2HB GLN 4 19.858 -5.902 3.967 29 HG2 GLN 4 1HG GLN 4 21.365 -5.069 2.237 30 HG3 GLN 4 2HG GLN 4 20.200 -5.485 0.983 31 HE21 GLN 4 2HE2 GLN 4 21.336 -2.776 2.028 32 HE22 GLN 4 1HE2 GLN 4 19.939 -1.839 2.265 33 H ASN 5 H ASN 5 17.934 -8.099 3.410 34 HA ASN 5 HA ASN 5 18.506 -10.452 4.983 35 HB2 ASN 5 1HB ASN 5 17.661 -7.885 6.343 36 HB3 ASN 5 2HB ASN 5 17.530 -9.470 7.083 37 HD21 ASN 5 2HD2 ASN 5 19.474 -10.491 7.795 38 HD22 ASN 5 1HD2 ASN 5 20.970 -9.691 7.792 39 HA PRO 6 HA PRO 6 13.835 -9.779 4.670 40 HB2 PRO 6 1HB PRO 6 12.825 -7.755 3.125 41 HB3 PRO 6 2HB PRO 6 13.249 -7.551 4.832 42 HG2 PRO 6 1HG PRO 6 14.664 -6.589 2.426 43 HG3 PRO 6 2HG PRO 6 14.686 -5.950 4.076 44 HD2 PRO 6 1HD PRO 6 16.658 -7.602 2.838 45 HD3 PRO 6 2HD PRO 6 16.615 -7.087 4.530 46 H GLU 7 H GLU 7 15.905 -10.713 2.602 47 HA GLU 7 HA GLU 7 14.520 -10.774 0.085 48 HB2 GLU 7 1HB GLU 7 16.986 -10.902 0.260 49 HB3 GLU 7 2HB GLU 7 16.835 -12.463 1.064 50 HG2 GLU 7 1HG GLU 7 15.762 -13.424 -0.905 51 HG3 GLU 7 2HG GLU 7 15.754 -11.852 -1.703 52 H GLU 8 H GLU 8 15.089 -13.123 2.691 53 HA GLU 8 HA GLU 8 13.531 -15.194 1.454 54 HB2 GLU 8 1HB GLU 8 14.531 -14.872 4.292 55 HB3 GLU 8 2HB GLU 8 13.744 -16.318 3.663 56 HG2 GLU 8 1HG GLU 8 16.107 -16.699 3.489 57 HG3 GLU 8 2HG GLU 8 15.529 -16.385 1.854 58 H TYR 9 H TYR 9 12.912 -12.644 3.780 59 HA TYR 9 HA TYR 9 10.493 -13.474 4.866 60 HB2 TYR 9 1HB TYR 9 11.711 -10.787 4.295 61 HB3 TYR 9 2HB TYR 9 10.047 -10.855 4.869 62 HD1 TYR 9 HD1 TYR 9 13.559 -11.833 5.693 63 HD2 TYR 9 HD2 TYR 9 9.542 -11.362 7.144 64 HE1 TYR 9 HE1 TYR 9 14.365 -12.141 8.014 65 HE2 TYR 9 HE2 TYR 9 10.348 -11.711 9.459 66 HH TYR 9 HH TYR 9 13.808 -12.236 10.153 67 H TYR 10 H TYR 10 11.194 -12.449 1.648 68 HA TYR 10 HA TYR 10 8.814 -11.430 0.710 69 HB2 TYR 10 1HB TYR 10 9.687 -11.800 -1.404 70 HB3 TYR 10 2HB TYR 10 11.141 -12.113 -0.469 71 HD1 TYR 10 HD2 TYR 10 11.566 -14.561 0.301 72 HD2 TYR 10 HD1 TYR 10 8.778 -13.508 -2.784 73 HE1 TYR 10 HE2 TYR 10 11.607 -16.894 -0.524 74 HE2 TYR 10 HE1 TYR 10 8.804 -15.844 -3.602 75 HH TYR 10 HH TYR 10 9.383 -18.222 -2.362 76 H LEU 11 H LEU 11 9.334 -14.522 2.050 77 HA LEU 11 HA LEU 11 7.667 -16.239 0.717 78 HB2 LEU 11 1HB LEU 11 7.487 -17.477 2.748 79 HB3 LEU 11 2HB LEU 11 9.075 -16.723 2.741 80 HG LEU 11 HG LEU 11 7.573 -14.759 4.031 81 HD11 LEU 11 1HD1 LEU 11 6.176 -15.876 5.707 82 HD12 LEU 11 2HD1 LEU 11 6.499 -17.440 4.960 83 HD13 LEU 11 3HD1 LEU 11 5.569 -16.223 4.092 84 HD21 LEU 11 3HD2 LEU 11 8.601 -15.581 6.109 85 HD22 LEU 11 1HD2 LEU 11 9.748 -15.681 4.772 86 HD23 LEU 11 2HD2 LEU 11 8.936 -17.134 5.343 87 H GLU 12 H GLU 12 6.852 -13.367 2.412 88 HA GLU 12 HA GLU 12 4.238 -13.909 3.207 89 HB2 GLU 12 1HB GLU 12 5.476 -11.889 3.820 90 HB3 GLU 12 2HB GLU 12 5.450 -11.345 2.147 91 HG2 GLU 12 1HG GLU 12 2.887 -11.937 3.644 92 HG3 GLU 12 2HG GLU 12 3.679 -10.369 3.771 93 H GLY 13 H GLY 13 5.368 -12.439 0.186 94 HA2 GLY 13 1HA GLY 13 3.154 -11.971 -1.271 95 HA3 GLY 13 2HA GLY 13 4.542 -12.772 -1.998 96 H VAL 14 H VAL 14 4.284 -15.176 -0.352 97 HA VAL 14 HA VAL 14 2.374 -16.607 -1.964 98 HB VAL 14 HB VAL 14 3.944 -17.565 0.437 99 HG11 VAL 14 1HG1 VAL 14 2.168 -19.095 -0.101 100 HG12 VAL 14 2HG1 VAL 14 3.660 -19.779 -0.744 101 HG13 VAL 14 3HG1 VAL 14 2.519 -18.982 -1.825 102 HG21 VAL 14 3HG2 VAL 14 4.628 -17.585 -2.516 103 HG22 VAL 14 1HG2 VAL 14 5.562 -18.388 -1.253 104 HG23 VAL 14 2HG2 VAL 14 5.433 -16.630 -1.271 105 H LEU 15 H LEU 15 2.693 -15.967 1.528 106 HA LEU 15 HA LEU 15 0.467 -17.208 2.532 107 HB2 LEU 15 1HB LEU 15 1.376 -14.412 3.281 108 HB3 LEU 15 2HB LEU 15 0.361 -15.462 4.265 109 HG LEU 15 HG LEU 15 3.216 -16.056 3.418 110 HD11 LEU 15 1HD1 LEU 15 3.784 -15.654 5.747 111 HD12 LEU 15 2HD1 LEU 15 2.085 -15.419 6.161 112 HD13 LEU 15 3HD1 LEU 15 2.913 -14.244 5.142 113 HD21 LEU 15 3HD2 LEU 15 2.806 -17.873 5.314 114 HD22 LEU 15 1HD2 LEU 15 2.272 -18.186 3.667 115 HD23 LEU 15 2HD2 LEU 15 1.108 -17.656 4.882 116 H GLN 16 H GLN 16 0.374 -13.743 1.619 117 HA GLN 16 HA GLN 16 -2.339 -13.371 1.721 118 HB2 GLN 16 1HB GLN 16 -0.500 -11.688 1.081 119 HB3 GLN 16 2HB GLN 16 -0.668 -12.285 -0.566 120 HG2 GLN 16 1HG GLN 16 -2.991 -11.208 1.063 121 HG3 GLN 16 2HG GLN 16 -2.038 -10.225 -0.042 122 HE21 GLN 16 2HE2 GLN 16 -2.174 -10.748 -2.379 123 HE22 GLN 16 1HE2 GLN 16 -3.482 -11.649 -2.975 124 H TYR 17 H TYR 17 -0.574 -14.385 -1.247 125 HA TYR 17 HA TYR 17 -2.785 -14.838 -2.869 126 HB2 TYR 17 1HB TYR 17 0.033 -15.797 -2.770 127 HB3 TYR 17 2HB TYR 17 -1.049 -16.826 -3.700 128 HD1 TYR 17 HD1 TYR 17 0.050 -13.269 -3.284 129 HD2 TYR 17 HD2 TYR 17 -1.700 -16.204 -5.890 130 HE1 TYR 17 HE1 TYR 17 0.154 -11.663 -5.169 131 HE2 TYR 17 HE2 TYR 17 -1.594 -14.604 -7.767 132 HH TYR 17 HH TYR 17 -0.319 -12.613 -8.406 133 H ASP 18 H ASP 18 -1.010 -17.428 -1.130 134 HA ASP 18 HA ASP 18 -3.155 -19.293 -1.478 135 HB2 ASP 18 1HB ASP 18 -0.667 -19.338 0.246 136 HB3 ASP 18 2HB ASP 18 -1.792 -20.689 0.116 137 H ALA 19 H ALA 19 -1.695 -18.232 1.571 138 HA ALA 19 HA ALA 19 -4.020 -18.801 3.115 139 HB1 ALA 19 3HB ALA 19 -1.769 -18.825 4.102 140 HB2 ALA 19 1HB ALA 19 -2.801 -17.673 4.947 141 HB3 ALA 19 2HB ALA 19 -1.603 -17.097 3.789 142 H GLY 20 H GLY 20 -5.845 -17.684 2.859 143 HA2 GLY 20 1HA GLY 20 -5.949 -14.953 1.953 144 HA3 GLY 20 2HA GLY 20 -7.315 -15.949 2.445 145 H ASN 21 H ASN 21 -4.445 -14.422 3.916 146 HA ASN 21 HA ASN 21 -6.186 -13.278 6.018 147 HB2 ASN 21 1HB ASN 21 -5.086 -15.484 6.750 148 HB3 ASN 21 2HB ASN 21 -3.561 -14.611 6.701 149 HD21 ASN 21 2HD2 ASN 21 -4.394 -15.564 9.173 150 HD22 ASN 21 1HD2 ASN 21 -4.914 -14.278 10.150 151 H TYR 22 H TYR 22 -5.587 -11.608 4.240 152 HA TYR 22 HA TYR 22 -3.161 -10.422 3.862 153 HB2 TYR 22 1HB TYR 22 -4.804 -8.181 4.302 154 HB3 TYR 22 2HB TYR 22 -4.661 -9.046 2.779 155 HD1 TYR 22 HD1 TYR 22 -6.472 -9.200 6.064 156 HD2 TYR 22 HD2 TYR 22 -6.593 -10.048 1.853 157 HE1 TYR 22 HE1 TYR 22 -8.843 -9.891 6.270 158 HE2 TYR 22 HE2 TYR 22 -8.958 -10.740 2.062 159 HH TYR 22 HH TYR 22 -10.842 -10.051 4.764 160 H THR 23 H THR 23 -5.115 -10.320 6.793 161 HA THR 23 HA THR 23 -3.692 -8.308 8.162 162 HB THR 23 HB THR 23 -5.021 -10.715 9.434 163 HG1 THR 23 HG1 THR 23 -6.598 -9.957 8.194 164 HG21 THR 23 3HG2 THR 23 -3.729 -9.204 10.914 165 HG22 THR 23 1HG2 THR 23 -5.458 -9.140 11.255 166 HG23 THR 23 2HG2 THR 23 -4.692 -7.843 10.337 167 H GLU 24 H GLU 24 -3.270 -11.851 8.077 168 HA GLU 24 HA GLU 24 -1.190 -12.048 9.936 169 HB2 GLU 24 1HB GLU 24 -2.388 -13.985 8.922 170 HB3 GLU 24 2HB GLU 24 -1.515 -13.697 7.420 171 HG2 GLU 24 1HG GLU 24 0.619 -14.085 8.549 172 HG3 GLU 24 2HG GLU 24 -0.211 -14.278 10.092 173 H SER 25 H SER 25 -1.030 -11.496 6.430 174 HA SER 25 HA SER 25 1.706 -11.569 6.036 175 HB2 SER 25 1HB SER 25 1.361 -10.167 4.110 176 HB3 SER 25 2HB SER 25 -0.038 -11.217 4.257 177 HG SER 25 HG SER 25 -0.055 -8.639 4.086 178 H ILE 26 H ILE 26 -0.149 -9.237 7.775 179 HA ILE 26 HA ILE 26 1.594 -7.031 7.636 180 HB ILE 26 HB ILE 26 -0.818 -7.250 8.699 181 HG12 ILE 26 1HG1 ILE 26 1.240 -5.490 10.068 182 HG13 ILE 26 2HG1 ILE 26 0.571 -5.147 8.476 183 HG21 ILE 26 1HG2 ILE 26 -0.927 -7.542 11.082 184 HG22 ILE 26 2HG2 ILE 26 0.825 -7.476 11.248 185 HG23 ILE 26 3HG2 ILE 26 0.064 -8.876 10.509 186 HD11 ILE 26 3HD1 ILE 26 -1.748 -5.320 9.624 187 HD12 ILE 26 1HD1 ILE 26 -0.770 -3.881 9.928 188 HD13 ILE 26 2HD1 ILE 26 -0.842 -5.164 11.134 189 H ASP 27 H ASP 27 1.524 -9.821 9.840 190 HA ASP 27 HA ASP 27 3.491 -8.959 11.616 191 HB2 ASP 27 1HB ASP 27 2.924 -11.784 10.686 192 HB3 ASP 27 2HB ASP 27 3.767 -11.328 12.162 193 H LEU 28 H LEU 28 3.760 -10.862 8.626 194 HA LEU 28 HA LEU 28 6.604 -11.046 8.752 195 HB2 LEU 28 1HB LEU 28 4.546 -11.541 6.613 196 HB3 LEU 28 2HB LEU 28 6.254 -11.565 6.194 197 HG LEU 28 HG LEU 28 5.352 -13.828 6.728 198 HD11 LEU 28 1HD1 LEU 28 7.269 -13.237 8.976 199 HD12 LEU 28 2HD1 LEU 28 7.801 -12.970 7.316 200 HD13 LEU 28 3HD1 LEU 28 7.254 -14.563 7.818 201 HD21 LEU 28 3HD2 LEU 28 4.652 -14.399 8.955 202 HD22 LEU 28 1HD2 LEU 28 3.718 -12.990 8.453 203 HD23 LEU 28 2HD2 LEU 28 5.077 -12.802 9.564 204 H PHE 29 H PHE 29 4.394 -8.849 7.062 205 HA PHE 29 HA PHE 29 6.342 -7.449 5.600 206 HB2 PHE 29 1HB PHE 29 3.886 -7.258 5.237 207 HB3 PHE 29 2HB PHE 29 3.755 -6.359 6.746 208 HD1 PHE 29 HD2 PHE 29 5.709 -6.352 3.543 209 HD2 PHE 29 HD1 PHE 29 3.880 -3.992 6.637 210 HE1 PHE 29 HE2 PHE 29 6.279 -4.291 2.314 211 HE2 PHE 29 HE1 PHE 29 4.449 -1.928 5.394 212 HZ PHE 29 HZ PHE 29 5.648 -2.078 3.240 213 H GLU 30 H GLU 30 4.948 -6.741 8.817 214 HA GLU 30 HA GLU 30 6.357 -4.406 9.373 215 HB2 GLU 30 1HB GLU 30 5.381 -6.632 11.170 216 HB3 GLU 30 2HB GLU 30 6.152 -5.184 11.818 217 HG2 GLU 30 1HG GLU 30 4.456 -3.770 10.799 218 HG3 GLU 30 2HG GLU 30 3.714 -5.158 10.015 219 H LYS 31 H LYS 31 7.385 -7.781 9.695 220 HA LYS 31 HA LYS 31 9.836 -7.206 11.021 221 HB2 LYS 31 1HB LYS 31 8.932 -9.591 9.391 222 HB3 LYS 31 2HB LYS 31 10.492 -9.511 10.212 223 HG2 LYS 31 1HG LYS 31 9.373 -9.193 12.368 224 HG3 LYS 31 2HG LYS 31 7.804 -9.199 11.580 225 HD2 LYS 31 1HD LYS 31 8.322 -11.527 10.737 226 HD3 LYS 31 2HD LYS 31 9.771 -11.499 11.743 227 HE2 LYS 31 1HE LYS 31 6.963 -11.084 12.804 228 HE3 LYS 31 2HE LYS 31 7.816 -12.625 12.840 229 HZ1 LYS 31 3HZ LYS 31 9.581 -11.543 14.128 230 HZ2 LYS 31 1HZ LYS 31 8.085 -11.500 14.928 231 HZ3 LYS 31 2HZ LYS 31 8.674 -10.106 14.157 232 H ALA 32 H ALA 32 9.011 -7.728 7.595 233 HA ALA 32 HA ALA 32 11.570 -7.631 6.506 234 HB1 ALA 32 3HB ALA 32 10.427 -6.722 4.464 235 HB2 ALA 32 1HB ALA 32 8.952 -6.585 5.418 236 HB3 ALA 32 2HB ALA 32 9.672 -8.169 5.130 237 H ILE 33 H ILE 33 9.345 -4.895 7.083 238 HA ILE 33 HA ILE 33 11.192 -2.897 6.276 239 HB ILE 33 HB ILE 33 8.681 -2.854 7.957 240 HG12 ILE 33 1HG1 ILE 33 9.345 -1.615 5.266 241 HG13 ILE 33 2HG1 ILE 33 8.581 -3.192 5.463 242 HG21 ILE 33 1HG2 ILE 33 10.581 -0.596 7.346 243 HG22 ILE 33 2HG2 ILE 33 9.925 -1.051 8.909 244 HG23 ILE 33 3HG2 ILE 33 8.892 -0.286 7.707 245 HD11 ILE 33 3HD1 ILE 33 7.455 -0.611 6.587 246 HD12 ILE 33 1HD1 ILE 33 6.678 -2.189 6.585 247 HD13 ILE 33 2HD1 ILE 33 6.943 -1.327 5.066 248 H GLN 34 H GLN 34 10.466 -4.352 9.427 249 HA GLN 34 HA GLN 34 11.903 -2.638 11.078 250 HB2 GLN 34 1HB GLN 34 10.439 -4.458 11.880 251 HB3 GLN 34 2HB GLN 34 11.625 -5.642 11.338 252 HG2 GLN 34 1HG GLN 34 13.276 -4.776 12.901 253 HG3 GLN 34 2HG GLN 34 12.194 -3.462 13.367 254 HE21 GLN 34 2HE2 GLN 34 13.147 -5.312 15.332 255 HE22 GLN 34 1HE2 GLN 34 11.838 -6.256 15.860 256 H LEU 35 H LEU 35 13.019 -5.206 8.960 257 HA LEU 35 HA LEU 35 15.653 -5.419 9.971 258 HB2 LEU 35 1HB LEU 35 14.237 -6.186 7.478 259 HB3 LEU 35 2HB LEU 35 15.970 -6.037 7.312 260 HG LEU 35 HG LEU 35 16.376 -7.738 8.922 261 HD11 LEU 35 1HD1 LEU 35 14.130 -8.795 10.025 262 HD12 LEU 35 2HD1 LEU 35 13.616 -7.127 9.875 263 HD13 LEU 35 3HD1 LEU 35 15.055 -7.514 10.794 264 HD21 LEU 35 3HD2 LEU 35 13.880 -8.728 7.519 265 HD22 LEU 35 1HD2 LEU 35 15.316 -9.650 7.960 266 HD23 LEU 35 2HD2 LEU 35 15.397 -8.459 6.665 267 H ASP 36 H ASP 36 14.370 -3.429 7.318 268 HA ASP 36 HA ASP 36 16.159 -1.314 7.916 269 HB2 ASP 36 1HB ASP 36 17.728 -2.975 6.901 270 HB3 ASP 36 2HB ASP 36 16.820 -2.834 5.399 271 HA PRO 37 HA PRO 37 12.736 0.064 5.247 272 HB2 PRO 37 1HB PRO 37 12.413 2.561 6.211 273 HB3 PRO 37 2HB PRO 37 11.942 1.151 7.162 274 HG2 PRO 37 1HG PRO 37 14.388 2.831 7.413 275 HG3 PRO 37 2HG PRO 37 13.367 2.139 8.682 276 HD2 PRO 37 1HD PRO 37 15.772 1.009 7.801 277 HD3 PRO 37 2HD PRO 37 14.488 0.115 8.652 278 H GLU 38 H GLU 38 13.089 0.629 3.206 279 HA GLU 38 HA GLU 38 14.180 3.024 2.267 280 HB2 GLU 38 1HB GLU 38 16.345 2.133 1.270 281 HB3 GLU 38 2HB GLU 38 16.374 2.370 3.007 282 HG2 GLU 38 1HG GLU 38 17.376 0.236 2.635 283 HG3 GLU 38 2HG GLU 38 15.757 -0.112 3.226 284 H GLU 39 H GLU 39 12.877 -0.034 1.855 285 HA GLU 39 HA GLU 39 13.021 0.008 -1.086 286 HB2 GLU 39 1HB GLU 39 13.428 -2.108 0.229 287 HB3 GLU 39 2HB GLU 39 11.746 -2.047 0.738 288 HG2 GLU 39 1HG GLU 39 11.919 -3.516 -1.180 289 HG3 GLU 39 2HG GLU 39 11.069 -2.057 -1.679 290 H SER 40 H SER 40 11.581 1.339 -1.980 291 HA SER 40 HA SER 40 9.106 2.096 -0.799 292 HB2 SER 40 1HB SER 40 10.286 3.510 -2.424 293 HB3 SER 40 2HB SER 40 10.011 2.304 -3.678 294 HG SER 40 HG SER 40 7.944 2.836 -3.753 295 H LYS 41 H LYS 41 9.918 -0.143 -3.416 296 HA LYS 41 HA LYS 41 7.425 -0.930 -4.291 297 HB2 LYS 41 1HB LYS 41 9.625 -1.734 -5.193 298 HB3 LYS 41 2HB LYS 41 9.749 -2.818 -3.810 299 HG2 LYS 41 1HG LYS 41 7.689 -3.963 -4.481 300 HG3 LYS 41 2HG LYS 41 7.473 -2.833 -5.818 301 HD2 LYS 41 1HD LYS 41 9.627 -3.604 -6.796 302 HD3 LYS 41 2HD LYS 41 9.792 -4.767 -5.480 303 HE2 LYS 41 1HE LYS 41 7.444 -4.695 -7.400 304 HE3 LYS 41 2HE LYS 41 8.833 -5.764 -7.579 305 HZ1 LYS 41 3HZ LYS 41 7.166 -5.680 -5.130 306 HZ2 LYS 41 1HZ LYS 41 8.322 -6.846 -5.561 307 HZ3 LYS 41 2HZ LYS 41 6.860 -6.741 -6.421 308 H TYR 42 H TYR 42 8.972 -1.679 -1.250 309 HA TYR 42 HA TYR 42 7.153 -3.791 -0.502 310 HB2 TYR 42 1HB TYR 42 9.397 -2.288 0.796 311 HB3 TYR 42 2HB TYR 42 8.272 -3.121 1.854 312 HD1 TYR 42 HD2 TYR 42 9.367 -4.164 -1.582 313 HD2 TYR 42 HD1 TYR 42 9.602 -4.942 2.642 314 HE1 TYR 42 HE2 TYR 42 10.513 -6.296 -2.040 315 HE2 TYR 42 HE1 TYR 42 10.754 -7.083 2.163 316 HH TYR 42 HH TYR 42 11.023 -8.671 0.396 317 H TRP 43 H TRP 43 7.354 -0.302 -0.046 318 HA TRP 43 HA TRP 43 5.275 -0.182 1.928 319 HB2 TRP 43 1HB TRP 43 6.857 1.778 0.303 320 HB3 TRP 43 2HB TRP 43 5.329 2.332 0.977 321 HD1 TRP 43 HD1 TRP 43 8.875 1.890 1.890 322 HE1 TRP 43 HE1 TRP 43 9.177 2.204 4.434 323 HE3 TRP 43 HE3 TRP 43 4.004 1.704 3.389 324 HZ2 TRP 43 HZ2 TRP 43 7.565 2.339 6.796 325 HZ3 TRP 43 HZ3 TRP 43 3.410 1.924 5.784 326 HH2 TRP 43 HH2 TRP 43 5.182 2.242 7.488 327 H LEU 44 H LEU 44 5.436 0.016 -1.590 328 HA LEU 44 HA LEU 44 2.891 1.024 -2.087 329 HB2 LEU 44 1HB LEU 44 4.507 0.824 -3.875 330 HB3 LEU 44 2HB LEU 44 4.590 -0.918 -3.670 331 HG LEU 44 HG LEU 44 2.277 -1.162 -4.413 332 HD11 LEU 44 1HD1 LEU 44 2.323 1.850 -4.362 333 HD12 LEU 44 2HD1 LEU 44 1.151 0.761 -3.640 334 HD13 LEU 44 3HD1 LEU 44 1.179 0.985 -5.382 335 HD21 LEU 44 3HD2 LEU 44 3.698 0.691 -6.330 336 HD22 LEU 44 1HD2 LEU 44 2.581 -0.617 -6.720 337 HD23 LEU 44 2HD2 LEU 44 4.182 -0.988 -6.077 338 H MET 45 H MET 45 3.979 -2.290 -1.426 339 HA MET 45 HA MET 45 1.528 -3.543 -2.017 340 HB2 MET 45 1HB MET 45 3.644 -4.762 -1.825 341 HB3 MET 45 2HB MET 45 3.723 -4.384 -0.105 342 HG2 MET 45 1HG MET 45 1.282 -5.788 -1.205 343 HG3 MET 45 2HG MET 45 2.746 -6.710 -0.866 344 HE1 MET 45 3HE MET 45 0.966 -7.939 0.308 345 HE2 MET 45 1HE MET 45 -0.333 -6.961 0.999 346 HE3 MET 45 2HE MET 45 0.786 -7.818 2.055 347 H LYS 46 H LYS 46 2.834 -2.090 0.905 348 HA LYS 46 HA LYS 46 0.908 -2.992 2.720 349 HB2 LYS 46 1HB LYS 46 3.003 -1.772 3.325 350 HB3 LYS 46 2HB LYS 46 2.262 -0.291 2.739 351 HG2 LYS 46 1HG LYS 46 1.979 -0.372 5.141 352 HG3 LYS 46 2HG LYS 46 0.407 -0.611 4.400 353 HD2 LYS 46 1HD LYS 46 0.319 -2.896 4.961 354 HD3 LYS 46 2HD LYS 46 2.067 -3.036 5.093 355 HE2 LYS 46 1HE LYS 46 1.087 -3.123 7.314 356 HE3 LYS 46 2HE LYS 46 1.978 -1.613 7.149 357 HZ1 LYS 46 3HZ LYS 46 -0.475 -1.686 8.056 358 HZ2 LYS 46 1HZ LYS 46 -0.847 -1.613 6.402 359 HZ3 LYS 46 2HZ LYS 46 0.090 -0.389 7.117 360 H GLY 47 H GLY 47 0.905 -0.108 0.647 361 HA2 GLY 47 1HA GLY 47 -1.433 1.106 1.557 362 HA3 GLY 47 2HA GLY 47 -0.836 1.218 -0.095 363 H LYS 48 H LYS 48 -1.072 -1.313 -1.043 364 HA LYS 48 HA LYS 48 -3.786 -1.506 -1.725 365 HB2 LYS 48 1HB LYS 48 -1.772 -3.763 -1.806 366 HB3 LYS 48 2HB LYS 48 -3.238 -3.611 -2.775 367 HG2 LYS 48 1HG LYS 48 -2.254 -1.429 -3.683 368 HG3 LYS 48 2HG LYS 48 -0.741 -1.906 -2.911 369 HD2 LYS 48 1HD LYS 48 -1.025 -4.152 -4.216 370 HD3 LYS 48 2HD LYS 48 -2.202 -3.267 -5.185 371 HE2 LYS 48 1HE LYS 48 -0.241 -1.469 -5.374 372 HE3 LYS 48 2HE LYS 48 0.769 -2.860 -4.986 373 HZ1 LYS 48 3HZ LYS 48 0.580 -2.742 -7.323 374 HZ2 LYS 48 1HZ LYS 48 -1.109 -2.590 -7.258 375 HZ3 LYS 48 2HZ LYS 48 -0.371 -4.056 -6.819 376 H ALA 49 H ALA 49 -1.929 -3.045 0.855 377 HA ALA 49 HA ALA 49 -3.925 -4.934 1.597 378 HB1 ALA 49 3HB ALA 49 -1.817 -3.735 3.408 379 HB2 ALA 49 1HB ALA 49 -1.473 -5.006 2.236 380 HB3 ALA 49 2HB ALA 49 -2.600 -5.309 3.557 381 H LEU 50 H LEU 50 -3.003 -1.765 2.928 382 HA LEU 50 HA LEU 50 -5.003 -1.689 4.917 383 HB2 LEU 50 1HB LEU 50 -3.516 0.479 3.465 384 HB3 LEU 50 2HB LEU 50 -4.555 0.798 4.848 385 HG LEU 50 HG LEU 50 -2.265 -1.190 4.975 386 HD11 LEU 50 1HD1 LEU 50 -0.952 0.643 6.038 387 HD12 LEU 50 2HD1 LEU 50 -2.241 1.774 5.624 388 HD13 LEU 50 3HD1 LEU 50 -1.335 0.970 4.349 389 HD21 LEU 50 3HD2 LEU 50 -3.780 -1.467 6.832 390 HD22 LEU 50 1HD2 LEU 50 -3.936 0.275 7.053 391 HD23 LEU 50 2HD2 LEU 50 -2.426 -0.538 7.452 392 H TYR 51 H TYR 51 -4.919 -0.357 1.629 393 HA TYR 51 HA TYR 51 -7.430 0.898 1.677 394 HB2 TYR 51 1HB TYR 51 -6.143 1.459 -0.202 395 HB3 TYR 51 2HB TYR 51 -5.662 -0.210 -0.485 396 HD1 TYR 51 HD2 TYR 51 -9.028 1.377 -0.021 397 HD2 TYR 51 HD1 TYR 51 -6.446 -0.852 -2.628 398 HE1 TYR 51 HE2 TYR 51 -10.887 1.120 -1.644 399 HE2 TYR 51 HE1 TYR 51 -8.304 -1.123 -4.238 400 HH TYR 51 HH TYR 51 -10.457 0.205 -4.790 401 H ASN 52 H ASN 52 -6.583 -2.405 0.555 402 HA ASN 52 HA ASN 52 -9.208 -3.182 -0.075 403 HB2 ASN 52 1HB ASN 52 -7.254 -4.410 -0.873 404 HB3 ASN 52 2HB ASN 52 -6.838 -4.861 0.779 405 HD21 ASN 52 2HD2 ASN 52 -9.715 -5.047 -1.406 406 HD22 ASN 52 1HD2 ASN 52 -10.165 -6.606 -0.906 407 H LEU 53 H LEU 53 -7.488 -2.994 2.923 408 HA LEU 53 HA LEU 53 -9.314 -4.655 4.418 409 HB2 LEU 53 1HB LEU 53 -7.024 -2.848 5.148 410 HB3 LEU 53 2HB LEU 53 -8.050 -3.523 6.405 411 HG LEU 53 HG LEU 53 -6.759 -5.275 4.285 412 HD11 LEU 53 1HD1 LEU 53 -5.626 -4.615 7.024 413 HD12 LEU 53 2HD1 LEU 53 -4.981 -4.023 5.493 414 HD13 LEU 53 3HD1 LEU 53 -4.944 -5.749 5.856 415 HD21 LEU 53 3HD2 LEU 53 -7.001 -6.929 6.300 416 HD22 LEU 53 1HD2 LEU 53 -8.434 -6.521 5.380 417 HD23 LEU 53 2HD2 LEU 53 -8.142 -5.756 6.939 418 H GLU 54 H GLU 54 -10.010 -1.989 2.929 419 HA GLU 54 HA GLU 54 -11.792 -0.560 3.105 420 HB2 GLU 54 1HB GLU 54 -12.534 -2.537 4.844 421 HB3 GLU 54 2HB GLU 54 -12.374 -1.207 5.980 422 HG2 GLU 54 1HG GLU 54 -14.634 -1.088 5.272 423 HG3 GLU 54 2HG GLU 54 -13.822 0.146 4.318 424 H ARG 55 H ARG 55 -8.955 -0.344 4.453 425 HA ARG 55 HA ARG 55 -9.424 2.004 6.180 426 HB2 ARG 55 1HB ARG 55 -6.788 0.653 5.587 427 HB3 ARG 55 2HB ARG 55 -7.184 1.723 6.907 428 HG2 ARG 55 1HG ARG 55 -8.411 -1.011 6.500 429 HG3 ARG 55 2HG ARG 55 -7.108 -0.645 7.627 430 HD2 ARG 55 1HD ARG 55 -9.028 -0.530 8.990 431 HD3 ARG 55 2HD ARG 55 -8.742 1.161 8.586 432 HE ARG 55 HE ARG 55 -10.524 -0.235 6.761 433 HH11 ARG 55 1HH2 ARG 55 -10.173 1.607 9.662 434 HH12 ARG 55 2HH2 ARG 55 -11.806 2.183 9.663 435 HH21 ARG 55 1HH1 ARG 55 -12.669 0.520 6.744 436 HH22 ARG 55 2HH1 ARG 55 -13.221 1.567 8.008 437 H TYR 56 H TYR 56 -10.180 3.029 4.066 438 HA TYR 56 HA TYR 56 -8.381 3.696 2.015 439 HB2 TYR 56 1HB TYR 56 -10.567 5.594 2.885 440 HB3 TYR 56 2HB TYR 56 -10.046 5.169 1.254 441 HD1 TYR 56 HD1 TYR 56 -10.706 3.007 0.243 442 HD2 TYR 56 HD2 TYR 56 -12.112 4.200 4.118 443 HE1 TYR 56 HE1 TYR 56 -12.447 1.242 0.157 444 HE2 TYR 56 HE2 TYR 56 -13.863 2.460 4.023 445 HH TYR 56 HH TYR 56 -15.094 1.195 2.000 446 H GLU 57 H GLU 57 -9.169 5.295 5.080 447 HA GLU 57 HA GLU 57 -7.598 7.613 4.632 448 HB2 GLU 57 1HB GLU 57 -9.405 7.413 6.343 449 HB3 GLU 57 2HB GLU 57 -8.354 6.349 7.277 450 HG2 GLU 57 1HG GLU 57 -6.684 8.128 7.481 451 HG3 GLU 57 2HG GLU 57 -7.666 9.191 6.474 452 H GLU 58 H GLU 58 -6.963 4.640 6.468 453 HA GLU 58 HA GLU 58 -4.329 5.344 7.204 454 HB2 GLU 58 1HB GLU 58 -5.980 3.321 7.911 455 HB3 GLU 58 2HB GLU 58 -4.928 2.431 6.814 456 HG2 GLU 58 1HG GLU 58 -3.978 4.113 9.155 457 HG3 GLU 58 2HG GLU 58 -4.179 2.366 9.194 458 H ALA 59 H ALA 59 -5.578 3.516 4.436 459 HA ALA 59 HA ALA 59 -3.141 2.722 3.341 460 HB1 ALA 59 3HB ALA 59 -5.435 2.000 2.593 461 HB2 ALA 59 1HB ALA 59 -4.340 2.412 1.273 462 HB3 ALA 59 2HB ALA 59 -5.587 3.555 1.775 463 H VAL 60 H VAL 60 -4.906 5.759 2.985 464 HA VAL 60 HA VAL 60 -3.249 6.918 1.030 465 HB VAL 60 HB VAL 60 -5.000 8.101 3.197 466 HG11 VAL 60 1HG1 VAL 60 -3.348 9.811 2.852 467 HG12 VAL 60 2HG1 VAL 60 -4.730 10.275 1.862 468 HG13 VAL 60 3HG1 VAL 60 -3.320 9.525 1.109 469 HG21 VAL 60 3HG2 VAL 60 -5.317 8.238 0.183 470 HG22 VAL 60 1HG2 VAL 60 -6.545 8.494 1.422 471 HG23 VAL 60 2HG2 VAL 60 -5.926 6.873 1.114 472 H ASP 61 H ASP 61 -2.947 6.773 4.567 473 HA ASP 61 HA ASP 61 -0.889 8.607 4.929 474 HB2 ASP 61 1HB ASP 61 -1.183 5.983 6.406 475 HB3 ASP 61 2HB ASP 61 -0.393 7.444 6.986 476 H CYS 62 H CYS 62 -0.782 5.284 3.757 477 HA CYS 62 HA CYS 62 2.074 5.048 3.857 478 HB2 CYS 62 1HB CYS 62 -0.055 3.498 2.376 479 HB3 CYS 62 2HB CYS 62 1.661 3.098 2.289 480 HG CYS 62 HG CYS 62 0.411 1.792 4.286 481 H TYR 63 H TYR 63 -0.261 5.827 1.278 482 HA TYR 63 HA TYR 63 1.575 6.035 -0.827 483 HB2 TYR 63 1HB TYR 63 -0.671 6.064 -1.514 484 HB3 TYR 63 2HB TYR 63 -1.137 7.223 -0.275 485 HD1 TYR 63 HD2 TYR 63 -0.522 9.638 -0.512 486 HD2 TYR 63 HD1 TYR 63 0.162 6.802 -3.656 487 HE1 TYR 63 HE2 TYR 63 -0.229 11.501 -2.119 488 HE2 TYR 63 HE1 TYR 63 0.472 8.667 -5.268 489 HH TYR 63 HH TYR 63 -0.165 12.006 -4.354 490 H ASN 64 H ASN 64 0.430 8.529 1.466 491 HA ASN 64 HA ASN 64 1.979 10.616 0.342 492 HB2 ASN 64 1HB ASN 64 0.052 11.103 1.734 493 HB3 ASN 64 2HB ASN 64 0.800 10.296 3.111 494 HD21 ASN 64 2HD2 ASN 64 1.434 13.005 0.812 495 HD22 ASN 64 1HD2 ASN 64 2.257 13.962 1.945 496 H TYR 65 H TYR 65 2.584 8.174 2.787 497 HA TYR 65 HA TYR 65 4.924 9.266 3.896 498 HB2 TYR 65 1HB TYR 65 3.773 7.396 4.944 499 HB3 TYR 65 2HB TYR 65 4.106 6.372 3.553 500 HD1 TYR 65 HD2 TYR 65 6.373 5.562 3.074 501 HD2 TYR 65 HD1 TYR 65 5.537 7.980 6.528 502 HE1 TYR 65 HE2 TYR 65 8.561 4.923 4.051 503 HE2 TYR 65 HE1 TYR 65 7.731 7.349 7.496 504 HH TYR 65 HH TYR 65 9.506 6.004 7.296 505 H VAL 66 H VAL 66 4.506 6.939 1.235 506 HA VAL 66 HA VAL 66 7.224 6.624 0.593 507 HB VAL 66 HB VAL 66 4.769 6.391 -1.167 508 HG11 VAL 66 1HG1 VAL 66 7.665 5.608 -1.624 509 HG12 VAL 66 2HG1 VAL 66 6.658 6.641 -2.640 510 HG13 VAL 66 3HG1 VAL 66 6.332 4.913 -2.549 511 HG21 VAL 66 3HG2 VAL 66 6.436 4.374 0.366 512 HG22 VAL 66 1HG2 VAL 66 5.129 3.962 -0.744 513 HG23 VAL 66 2HG2 VAL 66 4.782 4.856 0.737 514 H ILE 67 H ILE 67 4.931 9.132 -0.221 515 HA ILE 67 HA ILE 67 6.747 10.371 -2.161 516 HB ILE 67 HB ILE 67 3.912 10.874 -1.278 517 HG12 ILE 67 1HG1 ILE 67 4.929 10.800 -4.129 518 HG13 ILE 67 2HG1 ILE 67 4.802 9.283 -3.246 519 HG21 ILE 67 1HG2 ILE 67 3.986 12.869 -2.915 520 HG22 ILE 67 2HG2 ILE 67 5.739 12.799 -2.740 521 HG23 ILE 67 3HG2 ILE 67 4.724 13.121 -1.334 522 HD11 ILE 67 3HD1 ILE 67 2.478 9.633 -2.837 523 HD12 ILE 67 1HD1 ILE 67 2.757 9.876 -4.562 524 HD13 ILE 67 2HD1 ILE 67 2.545 11.270 -3.497 525 H ASN 68 H ASN 68 5.873 10.625 1.181 526 HA ASN 68 HA ASN 68 6.865 13.321 1.505 527 HB2 ASN 68 1HB ASN 68 5.067 12.388 2.924 528 HB3 ASN 68 2HB ASN 68 6.211 11.218 3.577 529 HD21 ASN 68 2HD2 ASN 68 5.035 12.945 5.395 530 HD22 ASN 68 1HD2 ASN 68 6.159 14.109 5.907 531 H VAL 69 H VAL 69 7.873 10.236 2.969 532 HA VAL 69 HA VAL 69 10.400 11.159 3.795 533 HB VAL 69 HB VAL 69 9.484 8.342 3.153 534 HG11 VAL 69 1HG1 VAL 69 11.960 9.390 4.556 535 HG12 VAL 69 2HG1 VAL 69 11.883 8.320 3.155 536 HG13 VAL 69 3HG1 VAL 69 11.388 7.731 4.738 537 HG21 VAL 69 3HG2 VAL 69 9.524 8.404 5.832 538 HG22 VAL 69 1HG2 VAL 69 8.115 8.979 4.943 539 HG23 VAL 69 2HG2 VAL 69 9.289 10.126 5.587 540 H ILE 70 H ILE 70 9.443 9.365 0.884 541 HA ILE 70 HA ILE 70 12.121 9.889 -0.298 542 HB ILE 70 HB ILE 70 10.029 7.902 -1.219 543 HG12 ILE 70 1HG1 ILE 70 12.559 7.378 0.364 544 HG13 ILE 70 2HG1 ILE 70 10.948 7.407 1.077 545 HG21 ILE 70 1HG2 ILE 70 11.768 7.037 -2.618 546 HG22 ILE 70 2HG2 ILE 70 12.984 8.048 -1.841 547 HG23 ILE 70 3HG2 ILE 70 11.761 8.779 -2.868 548 HD11 ILE 70 3HD1 ILE 70 11.700 5.090 0.511 549 HD12 ILE 70 1HD1 ILE 70 11.778 5.564 -1.188 550 HD13 ILE 70 2HD1 ILE 70 10.228 5.563 -0.348 551 H GLU 71 H GLU 71 12.275 11.254 -1.940 552 HA GLU 71 HA GLU 71 9.977 12.734 -2.867 553 HB2 GLU 71 1HB GLU 71 12.888 12.793 -3.715 554 HB3 GLU 71 2HB GLU 71 11.656 13.913 -4.290 555 HG2 GLU 71 1HG GLU 71 12.630 15.106 -2.504 556 HG3 GLU 71 2HG GLU 71 11.215 14.388 -1.746 557 H ASP 72 H ASP 72 10.271 9.792 -3.492 558 HA ASP 72 HA ASP 72 10.677 9.613 -6.343 559 HB2 ASP 72 1HB ASP 72 11.108 7.714 -4.802 560 HB3 ASP 72 2HB ASP 72 9.385 7.628 -4.450 561 H GLU 73 H GLU 73 8.860 11.622 -5.889 562 HA GLU 73 HA GLU 73 6.138 10.700 -6.149 563 HB2 GLU 73 1HB GLU 73 6.748 12.881 -5.104 564 HB3 GLU 73 2HB GLU 73 7.293 13.448 -6.681 565 HG2 GLU 73 1HG GLU 73 5.053 13.173 -7.604 566 HG3 GLU 73 2HG GLU 73 4.484 12.470 -6.092 567 H TYR 74 H TYR 74 6.555 9.236 -7.964 568 HA TYR 74 HA TYR 74 5.799 10.435 -10.445 569 HB2 TYR 74 1HB TYR 74 8.236 10.926 -10.452 570 HB3 TYR 74 2HB TYR 74 8.557 9.196 -10.308 571 HD1 TYR 74 HD1 TYR 74 7.038 11.810 -12.468 572 HD2 TYR 74 HD2 TYR 74 8.348 7.727 -12.205 573 HE1 TYR 74 HE1 TYR 74 6.778 11.567 -14.919 574 HE2 TYR 74 HE2 TYR 74 8.089 7.488 -14.654 575 HH TYR 74 HH TYR 74 7.844 8.661 -16.603 576 H ASN 75 H ASN 75 6.673 7.730 -8.490 577 HA ASN 75 HA ASN 75 6.444 5.558 -10.182 578 HB2 ASN 75 1HB ASN 75 5.605 5.954 -7.312 579 HB3 ASN 75 2HB ASN 75 5.436 4.389 -8.104 580 HD21 ASN 75 2HD2 ASN 75 7.874 4.517 -9.684 581 HD22 ASN 75 1HD2 ASN 75 9.181 4.447 -8.602 582 H LYS 76 H LYS 76 4.964 5.344 -11.728 583 HA LYS 76 HA LYS 76 2.367 6.415 -11.739 584 HB2 LYS 76 1HB LYS 76 3.566 4.090 -13.261 585 HB3 LYS 76 2HB LYS 76 1.990 4.794 -13.619 586 HG2 LYS 76 1HG LYS 76 3.005 6.959 -14.083 587 HG3 LYS 76 2HG LYS 76 4.589 6.358 -13.592 588 HD2 LYS 76 1HD LYS 76 4.575 4.745 -15.431 589 HD3 LYS 76 2HD LYS 76 2.964 5.273 -15.913 590 HE2 LYS 76 1HE LYS 76 4.718 6.332 -17.310 591 HE3 LYS 76 2HE LYS 76 3.829 7.534 -16.375 592 HZ1 LYS 76 3HZ LYS 76 5.584 7.826 -14.926 593 HZ2 LYS 76 1HZ LYS 76 6.384 7.620 -16.409 594 HZ3 LYS 76 2HZ LYS 76 6.298 6.332 -15.304 595 H ASP 77 H ASP 77 3.547 3.179 -10.867 596 HA ASP 77 HA ASP 77 1.058 1.945 -10.455 597 HB2 ASP 77 1HB ASP 77 3.766 1.475 -9.191 598 HB3 ASP 77 2HB ASP 77 2.376 0.431 -8.898 599 H VAL 78 H VAL 78 3.088 3.868 -8.278 600 HA VAL 78 HA VAL 78 1.556 3.450 -5.932 601 HB VAL 78 HB VAL 78 3.384 5.711 -6.750 602 HG11 VAL 78 1HG1 VAL 78 1.979 6.720 -5.132 603 HG12 VAL 78 2HG1 VAL 78 3.392 6.194 -4.222 604 HG13 VAL 78 3HG1 VAL 78 1.904 5.248 -4.160 605 HG21 VAL 78 3HG2 VAL 78 5.032 4.624 -5.421 606 HG22 VAL 78 1HG2 VAL 78 4.271 3.320 -6.332 607 HG23 VAL 78 2HG2 VAL 78 3.842 3.587 -4.645 608 H TRP 79 H TRP 79 1.488 6.133 -8.288 609 HA TRP 79 HA TRP 79 -0.593 7.588 -7.102 610 HB2 TRP 79 1HB TRP 79 0.517 7.393 -9.895 611 HB3 TRP 79 2HB TRP 79 -0.971 8.300 -9.643 612 HD1 TRP 79 HD1 TRP 79 2.750 8.522 -9.204 613 HE1 TRP 79 HE1 TRP 79 3.359 10.800 -8.162 614 HE3 TRP 79 HE3 TRP 79 -1.899 10.148 -7.880 615 HZ2 TRP 79 HZ2 TRP 79 2.039 13.025 -6.932 616 HZ3 TRP 79 HZ3 TRP 79 -2.200 12.346 -6.780 617 HH2 TRP 79 HH2 TRP 79 -0.238 13.787 -6.304 618 H ALA 80 H ALA 80 -0.718 4.949 -9.494 619 HA ALA 80 HA ALA 80 -3.489 5.012 -9.947 620 HB1 ALA 80 3HB ALA 80 -3.213 2.780 -10.834 621 HB2 ALA 80 1HB ALA 80 -1.692 2.579 -9.963 622 HB3 ALA 80 2HB ALA 80 -1.802 3.735 -11.289 623 H ALA 81 H ALA 81 -1.548 3.327 -7.505 624 HA ALA 81 HA ALA 81 -3.569 1.751 -6.376 625 HB1 ALA 81 3HB ALA 81 -1.146 1.545 -5.848 626 HB2 ALA 81 1HB ALA 81 -2.154 1.631 -4.404 627 HB3 ALA 81 2HB ALA 81 -1.247 3.049 -4.931 628 H LYS 82 H LYS 82 -2.524 5.053 -5.569 629 HA LYS 82 HA LYS 82 -4.225 5.481 -3.389 630 HB2 LYS 82 1HB LYS 82 -2.310 6.960 -4.289 631 HB3 LYS 82 2HB LYS 82 -3.505 7.638 -5.392 632 HG2 LYS 82 1HG LYS 82 -4.937 8.078 -3.295 633 HG3 LYS 82 2HG LYS 82 -3.495 7.726 -2.360 634 HD2 LYS 82 1HD LYS 82 -2.301 9.491 -3.615 635 HD3 LYS 82 2HD LYS 82 -3.778 9.875 -4.467 636 HE2 LYS 82 1HE LYS 82 -3.719 11.459 -2.715 637 HE3 LYS 82 2HE LYS 82 -4.810 10.216 -2.113 638 HZ1 LYS 82 3HZ LYS 82 -2.718 9.197 -1.108 639 HZ2 LYS 82 1HZ LYS 82 -3.353 10.586 -0.370 640 HZ3 LYS 82 2HZ LYS 82 -1.996 10.710 -1.385 641 H ALA 83 H ALA 83 -4.774 6.058 -6.866 642 HA ALA 83 HA ALA 83 -7.258 7.282 -6.783 643 HB1 ALA 83 3HB ALA 83 -5.910 6.797 -8.852 644 HB2 ALA 83 1HB ALA 83 -7.627 6.427 -9.022 645 HB3 ALA 83 2HB ALA 83 -6.463 5.126 -8.759 646 H ASP 84 H ASP 84 -6.581 3.782 -6.793 647 HA ASP 84 HA ASP 84 -9.226 2.871 -6.696 648 HB2 ASP 84 1HB ASP 84 -6.682 1.686 -5.559 649 HB3 ASP 84 2HB ASP 84 -8.223 0.832 -5.587 650 H ALA 85 H ALA 85 -7.094 4.037 -4.128 651 HA ALA 85 HA ALA 85 -8.724 3.240 -1.948 652 HB1 ALA 85 3HB ALA 85 -7.300 4.587 -0.600 653 HB2 ALA 85 1HB ALA 85 -6.866 5.622 -1.961 654 HB3 ALA 85 2HB ALA 85 -6.273 3.964 -1.891 655 H LEU 86 H LEU 86 -8.446 6.290 -3.743 656 HA LEU 86 HA LEU 86 -10.406 7.697 -2.245 657 HB2 LEU 86 1HB LEU 86 -8.985 8.092 -4.859 658 HB3 LEU 86 2HB LEU 86 -10.408 9.080 -4.541 659 HG LEU 86 HG LEU 86 -9.422 9.882 -2.448 660 HD11 LEU 86 1HD1 LEU 86 -7.241 7.932 -3.153 661 HD12 LEU 86 2HD1 LEU 86 -8.156 8.035 -1.662 662 HD13 LEU 86 3HD1 LEU 86 -6.957 9.261 -2.041 663 HD21 LEU 86 3HD2 LEU 86 -8.828 10.934 -4.721 664 HD22 LEU 86 1HD2 LEU 86 -7.276 10.110 -4.575 665 HD23 LEU 86 2HD2 LEU 86 -7.755 11.308 -3.373 666 H ARG 87 H ARG 87 -10.561 5.623 -5.081 667 HA ARG 87 HA ARG 87 -13.097 6.219 -6.004 668 HB2 ARG 87 1HB ARG 87 -11.585 3.616 -5.869 669 HB3 ARG 87 2HB ARG 87 -13.139 3.749 -6.684 670 HG2 ARG 87 1HG ARG 87 -11.074 5.818 -7.415 671 HG3 ARG 87 2HG ARG 87 -10.759 4.177 -7.968 672 HD2 ARG 87 1HD ARG 87 -12.011 5.394 -9.664 673 HD3 ARG 87 2HD ARG 87 -13.008 4.102 -9.006 674 HE ARG 87 HE ARG 87 -13.350 6.680 -7.705 675 HH11 ARG 87 1HH2 ARG 87 -14.308 4.548 -10.244 676 HH12 ARG 87 2HH2 ARG 87 -15.872 5.264 -10.446 677 HH21 ARG 87 1HH1 ARG 87 -15.397 7.626 -7.949 678 HH22 ARG 87 2HH1 ARG 87 -16.490 7.011 -9.143 679 H TYR 88 H TYR 88 -12.284 5.132 -2.972 680 HA TYR 88 HA TYR 88 -15.099 4.558 -2.317 681 HB2 TYR 88 1HB TYR 88 -12.783 2.717 -1.674 682 HB3 TYR 88 2HB TYR 88 -14.401 2.572 -0.980 683 HD1 TYR 88 HD1 TYR 88 -16.348 2.003 -2.412 684 HD2 TYR 88 HD2 TYR 88 -12.351 2.120 -3.988 685 HE1 TYR 88 HE1 TYR 88 -17.103 0.768 -4.428 686 HE2 TYR 88 HE2 TYR 88 -13.108 0.886 -5.999 687 HH TYR 88 HH TYR 88 -14.916 -0.611 -6.663 688 H ILE 89 H ILE 89 -14.324 6.866 -1.633 689 HA ILE 89 HA ILE 89 -13.541 6.737 1.228 690 HB ILE 89 HB ILE 89 -11.693 7.647 -0.252 691 HG12 ILE 89 1HG1 ILE 89 -12.844 9.730 1.634 692 HG13 ILE 89 2HG1 ILE 89 -12.073 8.254 2.211 693 HG21 ILE 89 1HG2 ILE 89 -13.487 10.073 -0.550 694 HG22 ILE 89 2HG2 ILE 89 -13.379 8.835 -1.797 695 HG23 ILE 89 3HG2 ILE 89 -11.945 9.753 -1.346 696 HD11 ILE 89 3HD1 ILE 89 -9.987 8.838 1.168 697 HD12 ILE 89 1HD1 ILE 89 -10.531 10.244 2.081 698 HD13 ILE 89 2HD1 ILE 89 -10.724 10.203 0.329 699 H GLU 90 H GLU 90 -14.698 7.998 2.604 700 HA GLU 90 HA GLU 90 -17.219 9.070 1.606 701 HB2 GLU 90 1HB GLU 90 -16.049 8.839 4.391 702 HB3 GLU 90 2HB GLU 90 -17.652 9.481 4.040 703 HG2 GLU 90 1HG GLU 90 -18.109 7.210 4.514 704 HG3 GLU 90 2HG GLU 90 -18.034 7.217 2.758 705 H GLY 91 H GLY 91 -16.728 10.904 0.448 706 HA2 GLY 91 1HA GLY 91 -16.649 13.359 1.744 707 HA3 GLY 91 2HA GLY 91 -14.981 12.971 1.335 708 H LYS 92 H LYS 92 -14.519 14.282 -0.345 709 HA LYS 92 HA LYS 92 -16.416 14.978 -2.380 710 HB2 LYS 92 1HB LYS 92 -13.403 15.300 -2.269 711 HB3 LYS 92 2HB LYS 92 -14.443 16.002 -3.501 712 HG2 LYS 92 1HG LYS 92 -15.693 17.225 -1.749 713 HG3 LYS 92 2HG LYS 92 -14.620 16.545 -0.528 714 HD2 LYS 92 1HD LYS 92 -12.688 17.650 -1.582 715 HD3 LYS 92 2HD LYS 92 -13.739 18.307 -2.838 716 HE2 LYS 92 1HE LYS 92 -13.465 20.056 -1.221 717 HE3 LYS 92 2HE LYS 92 -15.085 19.407 -0.964 718 HZ1 LYS 92 3HZ LYS 92 -13.264 17.900 0.538 719 HZ2 LYS 92 1HZ LYS 92 -14.523 18.888 1.097 720 HZ3 LYS 92 2HZ LYS 92 -12.974 19.542 0.859 721 H GLU 93 H GLU 93 -16.557 14.257 -4.479 722 HA GLU 93 HA GLU 93 -15.417 11.576 -5.002 723 HB2 GLU 93 1HB GLU 93 -17.892 11.936 -5.179 724 HB3 GLU 93 2HB GLU 93 -17.590 13.043 -6.518 725 HG2 GLU 93 1HG GLU 93 -16.508 11.265 -7.796 726 HG3 GLU 93 2HG GLU 93 -16.683 10.151 -6.442 727 H VAL 94 H VAL 94 -15.269 14.881 -6.051 728 HA VAL 94 HA VAL 94 -14.254 14.491 -8.660 729 HB VAL 94 HB VAL 94 -13.284 16.832 -8.300 730 HG11 VAL 94 1HG1 VAL 94 -16.212 16.314 -7.698 731 HG12 VAL 94 2HG1 VAL 94 -15.491 16.505 -9.295 732 HG13 VAL 94 3HG1 VAL 94 -15.547 17.874 -8.184 733 HG21 VAL 94 3HG2 VAL 94 -14.833 16.653 -5.703 734 HG22 VAL 94 1HG2 VAL 94 -13.826 17.986 -6.264 735 HG23 VAL 94 2HG2 VAL 94 -13.081 16.463 -5.778 736 H GLU 95 H GLU 95 -12.822 14.098 -5.545 737 HA GLU 95 HA GLU 95 -10.099 14.477 -6.239 738 HB2 GLU 95 1HB GLU 95 -11.380 12.783 -4.071 739 HB3 GLU 95 2HB GLU 95 -9.650 13.092 -4.196 740 HG2 GLU 95 1HG GLU 95 -11.733 15.282 -3.988 741 HG3 GLU 95 2HG GLU 95 -10.848 14.635 -2.608 742 H ALA 96 H ALA 96 -12.091 11.517 -6.040 743 HA ALA 96 HA ALA 96 -10.129 9.686 -6.815 744 HB1 ALA 96 3HB ALA 96 -11.947 8.194 -7.361 745 HB2 ALA 96 1HB ALA 96 -13.069 9.547 -7.514 746 HB3 ALA 96 2HB ALA 96 -12.410 9.121 -5.934 747 H GLU 97 H GLU 97 -12.166 11.813 -8.753 748 HA GLU 97 HA GLU 97 -11.593 10.630 -11.271 749 HB2 GLU 97 1HB GLU 97 -12.397 13.463 -10.565 750 HB3 GLU 97 2HB GLU 97 -12.348 12.816 -12.203 751 HG2 GLU 97 1HG GLU 97 -14.018 11.632 -9.967 752 HG3 GLU 97 2HG GLU 97 -14.638 12.766 -11.164 753 H ILE 98 H ILE 98 -10.145 13.398 -9.556 754 HA ILE 98 HA ILE 98 -8.264 14.127 -11.509 755 HB ILE 98 HB ILE 98 -8.183 14.369 -8.488 756 HG12 ILE 98 1HG1 ILE 98 -8.689 16.495 -10.597 757 HG13 ILE 98 2HG1 ILE 98 -9.990 15.576 -9.838 758 HG21 ILE 98 1HG2 ILE 98 -5.889 14.533 -9.206 759 HG22 ILE 98 2HG2 ILE 98 -6.451 16.187 -8.984 760 HG23 ILE 98 3HG2 ILE 98 -6.332 15.509 -10.607 761 HD11 ILE 98 3HD1 ILE 98 -9.679 17.683 -8.636 762 HD12 ILE 98 1HD1 ILE 98 -7.966 17.331 -8.413 763 HD13 ILE 98 2HD1 ILE 98 -9.182 16.342 -7.604 764 H ALA 99 H ALA 99 -8.079 11.744 -8.870 765 HA ALA 99 HA ALA 99 -5.352 11.104 -9.186 766 HB1 ALA 99 3HB ALA 99 -5.910 9.051 -7.946 767 HB2 ALA 99 1HB ALA 99 -7.628 9.377 -8.186 768 HB3 ALA 99 2HB ALA 99 -6.650 10.469 -7.205 769 H GLU 100 H GLU 100 -8.274 9.527 -10.473 770 HA GLU 100 HA GLU 100 -7.006 7.490 -11.903 771 HB2 GLU 100 1HB GLU 100 -9.584 8.981 -12.390 772 HB3 GLU 100 2HB GLU 100 -9.079 7.639 -13.415 773 HG2 GLU 100 1HG GLU 100 -8.942 6.189 -11.406 774 HG3 GLU 100 2HG GLU 100 -9.516 7.532 -10.419 775 H ALA 101 H ALA 101 -7.795 10.803 -12.933 776 HA ALA 101 HA ALA 101 -6.779 10.489 -15.574 777 HB1 ALA 101 3HB ALA 101 -8.363 12.266 -15.026 778 HB2 ALA 101 1HB ALA 101 -6.869 12.959 -15.657 779 HB3 ALA 101 2HB ALA 101 -7.194 12.992 -13.924 780 H ARG 102 H ARG 102 -5.391 11.701 -12.556 781 HA ARG 102 HA ARG 102 -2.948 12.613 -13.622 782 HB2 ARG 102 1HB ARG 102 -3.759 13.202 -11.353 783 HB3 ARG 102 2HB ARG 102 -3.492 11.539 -10.839 784 HG2 ARG 102 1HG ARG 102 -1.593 12.939 -10.160 785 HG3 ARG 102 2HG ARG 102 -1.065 11.777 -11.367 786 HD2 ARG 102 1HD ARG 102 -0.820 13.419 -13.026 787 HD3 ARG 102 2HD ARG 102 -1.993 14.500 -12.279 788 HE ARG 102 HE ARG 102 0.208 14.228 -10.545 789 HH11 ARG 102 1HH2 ARG 102 -0.674 15.478 -13.646 790 HH12 ARG 102 2HH2 ARG 102 0.502 16.750 -13.626 791 HH21 ARG 102 1HH1 ARG 102 1.755 15.895 -10.505 792 HH22 ARG 102 2HH1 ARG 102 1.878 16.985 -11.846 793 H ALA 103 H ALA 103 -3.925 9.452 -12.351 794 HA ALA 103 HA ALA 103 -1.315 8.284 -12.613 795 HB1 ALA 103 3HB ALA 103 -2.413 6.199 -12.058 796 HB2 ALA 103 1HB ALA 103 -3.997 6.904 -12.386 797 HB3 ALA 103 2HB ALA 103 -3.045 7.474 -11.016 798 H LYS 104 H LYS 104 -4.254 8.314 -14.551 799 HA LYS 104 HA LYS 104 -3.090 6.607 -16.620 800 HB2 LYS 104 1HB LYS 104 -5.737 8.074 -16.523 801 HB3 LYS 104 2HB LYS 104 -5.269 6.872 -17.722 802 HG2 LYS 104 1HG LYS 104 -5.323 6.254 -14.755 803 HG3 LYS 104 2HG LYS 104 -6.741 6.044 -15.779 804 HD2 LYS 104 1HD LYS 104 -5.346 4.539 -17.262 805 HD3 LYS 104 2HD LYS 104 -4.066 4.632 -16.055 806 HE2 LYS 104 1HE LYS 104 -6.879 3.669 -15.503 807 HE3 LYS 104 2HE LYS 104 -5.480 2.623 -15.745 808 HZ1 LYS 104 3HZ LYS 104 -6.035 4.485 -13.529 809 HZ2 LYS 104 1HZ LYS 104 -4.441 4.026 -13.885 810 HZ3 LYS 104 2HZ LYS 104 -5.590 2.847 -13.462 811 H LEU 105 H LEU 105 -2.177 9.454 -15.877 812 HA LEU 105 HA LEU 105 -2.753 11.139 -18.055 813 HB2 LEU 105 1HB LEU 105 -1.713 11.867 -15.882 814 HB3 LEU 105 2HB LEU 105 -0.215 11.103 -16.401 815 HG LEU 105 HG LEU 105 -0.328 12.583 -18.493 816 HD11 LEU 105 1HD1 LEU 105 -1.666 14.761 -18.022 817 HD12 LEU 105 2HD1 LEU 105 -2.578 13.795 -16.867 818 HD13 LEU 105 3HD1 LEU 105 -2.567 13.358 -18.573 819 HD21 LEU 105 3HD2 LEU 105 1.187 13.033 -16.575 820 HD22 LEU 105 1HD2 LEU 105 -0.084 13.994 -15.817 821 HD23 LEU 105 2HD2 LEU 105 0.630 14.519 -17.342 822 H GLU 106 H GLU 106 -0.223 8.748 -17.508 823 HA GLU 106 HA GLU 106 1.433 9.209 -19.684 824 HB2 GLU 106 1HB GLU 106 1.833 7.524 -17.882 825 HB3 GLU 106 2HB GLU 106 0.623 6.486 -18.636 826 HG2 GLU 106 1HG GLU 106 1.959 6.477 -20.732 827 HG3 GLU 106 2HG GLU 106 3.172 7.484 -19.946 828 H HIS 107 H HIS 107 -1.730 7.711 -19.583 829 HA HIS 107 HA HIS 107 -3.043 6.737 -21.218 830 HB2 HIS 107 1HB HIS 107 -3.343 8.170 -23.198 831 HB3 HIS 107 2HB HIS 107 -3.302 9.121 -21.716 832 HD1 HIS 107 HD1 HIS 107 -1.597 10.955 -21.597 833 HD2 HIS 107 HD2 HIS 107 -0.733 8.230 -24.633 834 HE1 HIS 107 HE1 HIS 107 0.369 11.909 -22.877 835 HE2 HIS 107 HE2 HIS 107 0.909 10.259 -24.730 836 H HIS 108 H HIS 108 -2.786 6.593 -23.990 837 HA HIS 108 HA HIS 108 -0.213 5.473 -24.699 838 HB2 HIS 108 1HB HIS 108 -1.095 3.205 -25.160 839 HB3 HIS 108 2HB HIS 108 -1.146 3.590 -23.441 840 HD1 HIS 108 HD1 HIS 108 -3.458 3.894 -22.345 841 HD2 HIS 108 HD2 HIS 108 -3.664 3.116 -26.435 842 HE1 HIS 108 HE1 HIS 108 -5.890 3.403 -22.860 843 HE2 HIS 108 HE2 HIS 108 -6.031 2.927 -25.350 844 H HIS 109 H HIS 109 -0.150 4.828 -26.947 845 HA HIS 109 HA HIS 109 -2.456 5.484 -28.629 846 HB2 HIS 109 1HB HIS 109 0.158 7.001 -28.831 847 HB3 HIS 109 2HB HIS 109 -1.168 7.094 -29.990 848 HD1 HIS 109 HD1 HIS 109 -3.612 7.638 -28.646 849 HD2 HIS 109 HD2 HIS 109 -0.055 9.006 -26.954 850 HE1 HIS 109 HE1 HIS 109 -4.249 9.490 -27.041 851 HE2 HIS 109 HE2 HIS 109 -2.092 10.336 -26.001 852 H HIS 110 H HIS 110 -2.515 4.259 -30.410 853 HA HIS 110 HA HIS 110 -1.961 2.509 -31.803 854 HB2 HIS 110 1HB HIS 110 0.660 4.024 -31.878 855 HB3 HIS 110 2HB HIS 110 0.103 2.857 -33.077 856 HD1 HIS 110 HD1 HIS 110 0.618 5.701 -34.035 857 HD2 HIS 110 HD2 HIS 110 -3.090 4.447 -32.599 858 HE1 HIS 110 HE1 HIS 110 -1.101 7.297 -34.992 859 HE2 HIS 110 HE2 HIS 110 -3.365 6.545 -34.126 860 H HIS 111 H HIS 111 -2.046 0.898 -30.158 861 HA HIS 111 HA HIS 111 0.158 0.168 -28.537 862 HB2 HIS 111 1HB HIS 111 -2.175 -0.526 -28.076 863 HB3 HIS 111 2HB HIS 111 -2.134 -1.560 -29.505 864 HD1 HIS 111 HD1 HIS 111 0.448 -1.073 -26.734 865 HD2 HIS 111 HD2 HIS 111 -1.782 -4.114 -28.510 866 HE1 HIS 111 HE1 HIS 111 1.200 -3.238 -25.654 867 HE2 HIS 111 HE2 HIS 111 -0.151 -5.101 -26.726 868 H HIS 112 H HIS 112 -0.996 -1.020 -31.682 869 HA HIS 112 HA HIS 112 0.785 -3.127 -32.045 870 HB2 HIS 112 1HB HIS 112 -0.362 -1.211 -34.090 871 HB3 HIS 112 2HB HIS 112 0.449 -2.728 -34.484 872 HD1 HIS 112 HD1 HIS 112 -0.683 -4.930 -33.311 873 HD2 HIS 112 HD2 HIS 112 -3.064 -1.516 -33.548 874 HE1 HIS 112 HE1 HIS 112 -3.073 -5.698 -32.970 875 HE2 HIS 112 HE2 HIS 112 -4.537 -3.628 -33.111 Start of MODEL 2 1 H1 MET 1 1H MET 1 25.934 -16.858 11.267 2 H2 MET 1 2H MET 1 24.503 -16.003 10.938 3 H3 MET 1 3H MET 1 25.705 -16.141 9.746 4 HA MET 1 HA MET 1 25.139 -18.241 9.178 5 HB2 MET 1 1HB MET 1 25.649 -19.051 11.503 6 HB3 MET 1 2HB MET 1 24.003 -18.621 11.962 7 HG2 MET 1 1HG MET 1 23.091 -20.182 10.322 8 HG3 MET 1 2HG MET 1 24.707 -20.543 9.725 9 HE1 MET 1 3HE MET 1 22.276 -20.473 12.515 10 HE2 MET 1 1HE MET 1 23.568 -20.196 13.687 11 HE3 MET 1 2HE MET 1 22.726 -21.741 13.647 12 H VAL 2 H VAL 2 22.935 -16.383 11.231 13 HA VAL 2 HA VAL 2 20.512 -17.309 10.104 14 HB VAL 2 HB VAL 2 21.136 -14.639 11.400 15 HG11 VAL 2 1HG1 VAL 2 18.530 -16.036 10.724 16 HG12 VAL 2 2HG1 VAL 2 19.061 -14.439 10.191 17 HG13 VAL 2 3HG1 VAL 2 18.636 -14.706 11.880 18 HG21 VAL 2 3HG2 VAL 2 20.006 -17.221 12.527 19 HG22 VAL 2 1HG2 VAL 2 20.197 -15.712 13.420 20 HG23 VAL 2 2HG2 VAL 2 21.619 -16.582 12.842 21 H ASP 3 H ASP 3 22.546 -14.488 9.338 22 HA ASP 3 HA ASP 3 22.493 -13.011 7.582 23 HB2 ASP 3 1HB ASP 3 23.362 -15.170 6.586 24 HB3 ASP 3 2HB ASP 3 21.730 -15.462 5.984 25 H GLN 4 H GLN 4 20.529 -12.048 8.549 26 HA GLN 4 HA GLN 4 17.900 -12.638 7.893 27 HB2 GLN 4 1HB GLN 4 19.205 -9.930 8.289 28 HB3 GLN 4 2HB GLN 4 17.463 -10.199 8.245 29 HG2 GLN 4 1HG GLN 4 17.592 -11.671 10.179 30 HG3 GLN 4 2HG GLN 4 19.352 -11.566 10.184 31 HE21 GLN 4 2HE2 GLN 4 17.066 -10.572 12.119 32 HE22 GLN 4 1HE2 GLN 4 17.539 -8.975 12.454 33 H ASN 5 H ASN 5 19.227 -9.712 6.457 34 HA ASN 5 HA ASN 5 19.004 -8.809 4.372 35 HB2 ASN 5 1HB ASN 5 19.453 -11.638 3.465 36 HB3 ASN 5 2HB ASN 5 19.747 -10.165 2.542 37 HD21 ASN 5 2HD2 ASN 5 20.727 -8.840 5.169 38 HD22 ASN 5 1HD2 ASN 5 22.310 -9.431 5.340 39 HA PRO 6 HA PRO 6 14.507 -9.725 3.918 40 HB2 PRO 6 1HB PRO 6 14.817 -7.323 2.113 41 HB3 PRO 6 2HB PRO 6 13.573 -7.656 3.339 42 HG2 PRO 6 1HG PRO 6 15.533 -5.932 3.835 43 HG3 PRO 6 2HG PRO 6 14.964 -7.047 5.093 44 HD2 PRO 6 1HD PRO 6 17.479 -7.197 3.446 45 HD3 PRO 6 2HD PRO 6 17.214 -7.623 5.153 46 H GLU 7 H GLU 7 13.332 -9.078 1.432 47 HA GLU 7 HA GLU 7 13.323 -9.597 -0.850 48 HB2 GLU 7 1HB GLU 7 15.918 -9.656 -0.704 49 HB3 GLU 7 2HB GLU 7 15.737 -11.400 -0.507 50 HG2 GLU 7 1HG GLU 7 14.499 -11.535 -2.600 51 HG3 GLU 7 2HG GLU 7 14.671 -9.796 -2.822 52 H GLU 8 H GLU 8 14.306 -12.180 1.384 53 HA GLU 8 HA GLU 8 12.782 -14.212 0.055 54 HB2 GLU 8 1HB GLU 8 14.034 -14.108 2.804 55 HB3 GLU 8 2HB GLU 8 13.252 -15.535 2.128 56 HG2 GLU 8 1HG GLU 8 15.594 -15.767 1.667 57 HG3 GLU 8 2HG GLU 8 14.834 -15.337 0.139 58 H TYR 9 H TYR 9 12.156 -11.895 2.570 59 HA TYR 9 HA TYR 9 9.922 -13.031 3.811 60 HB2 TYR 9 1HB TYR 9 10.740 -10.154 3.348 61 HB3 TYR 9 2HB TYR 9 9.302 -10.587 4.272 62 HD1 TYR 9 HD1 TYR 9 12.946 -11.604 4.063 63 HD2 TYR 9 HD2 TYR 9 9.587 -10.763 6.611 64 HE1 TYR 9 HE1 TYR 9 14.345 -12.010 6.045 65 HE2 TYR 9 HE2 TYR 9 10.993 -11.176 8.587 66 HH TYR 9 HH TYR 9 13.351 -11.151 9.198 67 H TYR 10 H TYR 10 10.284 -11.814 0.646 68 HA TYR 10 HA TYR 10 7.806 -10.790 -0.020 69 HB2 TYR 10 1HB TYR 10 8.473 -11.063 -2.237 70 HB3 TYR 10 2HB TYR 10 10.020 -11.305 -1.443 71 HD1 TYR 10 HD2 TYR 10 10.715 -13.710 -0.853 72 HD2 TYR 10 HD1 TYR 10 7.495 -12.801 -3.526 73 HE1 TYR 10 HE2 TYR 10 10.835 -16.014 -1.766 74 HE2 TYR 10 HE1 TYR 10 7.596 -15.103 -4.434 75 HH TYR 10 HH TYR 10 9.271 -16.922 -4.632 76 H LEU 11 H LEU 11 8.538 -13.956 1.057 77 HA LEU 11 HA LEU 11 6.768 -15.616 -0.230 78 HB2 LEU 11 1HB LEU 11 6.790 -16.984 1.753 79 HB3 LEU 11 2HB LEU 11 8.385 -16.269 1.548 80 HG LEU 11 HG LEU 11 7.177 -14.354 3.147 81 HD11 LEU 11 1HD1 LEU 11 5.123 -15.671 3.467 82 HD12 LEU 11 2HD1 LEU 11 6.031 -15.576 4.977 83 HD13 LEU 11 3HD1 LEU 11 6.082 -17.051 4.009 84 HD21 LEU 11 3HD2 LEU 11 9.381 -15.324 3.551 85 HD22 LEU 11 1HD2 LEU 11 8.651 -16.853 4.042 86 HD23 LEU 11 2HD2 LEU 11 8.423 -15.416 5.026 87 H GLU 12 H GLU 12 6.095 -12.908 1.777 88 HA GLU 12 HA GLU 12 3.578 -13.622 2.767 89 HB2 GLU 12 1HB GLU 12 5.052 -11.605 3.329 90 HB3 GLU 12 2HB GLU 12 4.376 -10.839 1.896 91 HG2 GLU 12 1HG GLU 12 2.648 -11.964 4.123 92 HG3 GLU 12 2HG GLU 12 3.235 -10.303 4.091 93 H GLY 13 H GLY 13 4.406 -11.753 -0.127 94 HA2 GLY 13 1HA GLY 13 2.045 -11.155 -1.288 95 HA3 GLY 13 2HA GLY 13 3.381 -11.786 -2.242 96 H VAL 14 H VAL 14 3.329 -14.403 -0.897 97 HA VAL 14 HA VAL 14 1.362 -15.698 -2.552 98 HB VAL 14 HB VAL 14 3.047 -16.883 -0.344 99 HG11 VAL 14 1HG1 VAL 14 2.772 -18.958 -1.667 100 HG12 VAL 14 2HG1 VAL 14 1.707 -18.097 -2.776 101 HG13 VAL 14 3HG1 VAL 14 1.224 -18.339 -1.096 102 HG21 VAL 14 3HG2 VAL 14 4.651 -17.428 -2.139 103 HG22 VAL 14 1HG2 VAL 14 4.444 -15.684 -1.983 104 HG23 VAL 14 2HG2 VAL 14 3.650 -16.552 -3.296 105 H LEU 15 H LEU 15 1.832 -15.537 0.981 106 HA LEU 15 HA LEU 15 -0.323 -16.924 1.903 107 HB2 LEU 15 1HB LEU 15 0.505 -14.217 2.989 108 HB3 LEU 15 2HB LEU 15 -0.341 -15.486 3.866 109 HG LEU 15 HG LEU 15 2.463 -15.689 2.746 110 HD11 LEU 15 1HD1 LEU 15 2.303 -14.236 4.715 111 HD12 LEU 15 2HD1 LEU 15 3.120 -15.746 5.123 112 HD13 LEU 15 3HD1 LEU 15 1.435 -15.499 5.585 113 HD21 LEU 15 3HD2 LEU 15 1.655 -17.902 2.673 114 HD22 LEU 15 1HD2 LEU 15 0.627 -17.682 4.091 115 HD23 LEU 15 2HD2 LEU 15 2.377 -17.831 4.274 116 H GLN 16 H GLN 16 -0.533 -13.376 1.528 117 HA GLN 16 HA GLN 16 -3.286 -13.130 1.674 118 HB2 GLN 16 1HB GLN 16 -2.820 -11.099 0.002 119 HB3 GLN 16 2HB GLN 16 -2.191 -11.052 1.647 120 HG2 GLN 16 1HG GLN 16 -0.012 -11.773 0.923 121 HG3 GLN 16 2HG GLN 16 -0.600 -12.137 -0.682 122 HE21 GLN 16 2HE2 GLN 16 0.244 -9.479 1.502 123 HE22 GLN 16 1HE2 GLN 16 0.289 -8.286 0.295 124 H TYR 17 H TYR 17 -1.361 -13.546 -1.316 125 HA TYR 17 HA TYR 17 -3.477 -13.593 -3.120 126 HB2 TYR 17 1HB TYR 17 -0.728 -14.774 -3.055 127 HB3 TYR 17 2HB TYR 17 -1.799 -15.351 -4.321 128 HD1 TYR 17 HD1 TYR 17 -1.665 -11.912 -2.801 129 HD2 TYR 17 HD2 TYR 17 -0.904 -14.345 -6.263 130 HE1 TYR 17 HE1 TYR 17 -1.238 -9.882 -4.130 131 HE2 TYR 17 HE2 TYR 17 -0.472 -12.308 -7.590 132 HH TYR 17 HH TYR 17 0.080 -10.043 -7.348 133 H ASP 18 H ASP 18 -1.836 -16.541 -1.899 134 HA ASP 18 HA ASP 18 -3.765 -18.336 -2.785 135 HB2 ASP 18 1HB ASP 18 -1.541 -19.035 -2.019 136 HB3 ASP 18 2HB ASP 18 -1.939 -18.541 -0.376 137 H ALA 19 H ALA 19 -3.262 -17.507 0.625 138 HA ALA 19 HA ALA 19 -6.168 -17.858 1.107 139 HB1 ALA 19 3HB ALA 19 -4.560 -19.270 2.407 140 HB2 ALA 19 1HB ALA 19 -5.613 -18.267 3.406 141 HB3 ALA 19 2HB ALA 19 -3.929 -17.791 3.149 142 H GLY 20 H GLY 20 -4.904 -16.322 3.705 143 HA2 GLY 20 1HA GLY 20 -5.419 -13.576 2.699 144 HA3 GLY 20 2HA GLY 20 -6.276 -14.187 4.113 145 H ASN 21 H ASN 21 -5.196 -14.386 6.071 146 HA ASN 21 HA ASN 21 -3.693 -13.753 7.689 147 HB2 ASN 21 1HB ASN 21 -1.847 -14.607 5.450 148 HB3 ASN 21 2HB ASN 21 -1.257 -14.158 7.053 149 HD21 ASN 21 2HD2 ASN 21 -3.085 -15.330 8.760 150 HD22 ASN 21 1HD2 ASN 21 -3.123 -17.010 8.525 151 H TYR 22 H TYR 22 -4.816 -11.662 6.136 152 HA TYR 22 HA TYR 22 -2.871 -9.827 5.205 153 HB2 TYR 22 1HB TYR 22 -5.650 -9.336 6.308 154 HB3 TYR 22 2HB TYR 22 -4.684 -8.158 5.422 155 HD1 TYR 22 HD2 TYR 22 -4.140 -8.512 3.021 156 HD2 TYR 22 HD1 TYR 22 -6.729 -11.184 5.170 157 HE1 TYR 22 HE2 TYR 22 -4.950 -9.456 0.876 158 HE2 TYR 22 HE1 TYR 22 -7.539 -12.126 3.025 159 HH TYR 22 HH TYR 22 -7.467 -10.825 0.305 160 H THR 23 H THR 23 -4.686 -9.940 8.281 161 HA THR 23 HA THR 23 -3.226 -7.834 9.496 162 HB THR 23 HB THR 23 -4.683 -10.062 10.934 163 HG1 THR 23 HG1 THR 23 -5.723 -8.651 9.130 164 HG21 THR 23 3HG2 THR 23 -4.271 -7.143 11.651 165 HG22 THR 23 1HG2 THR 23 -3.291 -8.465 12.288 166 HG23 THR 23 2HG2 THR 23 -5.013 -8.384 12.661 167 H GLU 24 H GLU 24 -2.921 -11.373 9.649 168 HA GLU 24 HA GLU 24 -0.834 -11.435 11.558 169 HB2 GLU 24 1HB GLU 24 -2.205 -13.404 10.877 170 HB3 GLU 24 2HB GLU 24 -1.360 -13.418 9.329 171 HG2 GLU 24 1HG GLU 24 0.778 -13.785 10.460 172 HG3 GLU 24 2HG GLU 24 -0.004 -13.661 12.034 173 H SER 25 H SER 25 -0.787 -11.354 8.012 174 HA SER 25 HA SER 25 1.943 -11.678 7.562 175 HB2 SER 25 1HB SER 25 -0.164 -10.099 6.105 176 HB3 SER 25 2HB SER 25 1.491 -10.141 5.542 177 HG SER 25 HG SER 25 -0.261 -11.873 4.967 178 H ILE 26 H ILE 26 0.242 -8.963 8.916 179 HA ILE 26 HA ILE 26 1.869 -6.784 8.434 180 HB ILE 26 HB ILE 26 0.568 -7.591 11.052 181 HG12 ILE 26 1HG1 ILE 26 -0.273 -5.568 8.949 182 HG13 ILE 26 2HG1 ILE 26 -0.896 -7.214 9.031 183 HG21 ILE 26 1HG2 ILE 26 2.247 -5.998 11.666 184 HG22 ILE 26 2HG2 ILE 26 0.750 -5.088 11.563 185 HG23 ILE 26 3HG2 ILE 26 1.920 -5.006 10.244 186 HD11 ILE 26 3HD1 ILE 26 -1.713 -6.750 11.352 187 HD12 ILE 26 1HD1 ILE 26 -2.452 -5.691 10.152 188 HD13 ILE 26 2HD1 ILE 26 -1.156 -5.087 11.181 189 H ASP 27 H ASP 27 2.580 -9.614 10.388 190 HA ASP 27 HA ASP 27 4.786 -8.506 11.781 191 HB2 ASP 27 1HB ASP 27 5.373 -10.874 12.223 192 HB3 ASP 27 2HB ASP 27 3.689 -10.507 12.587 193 H LEU 28 H LEU 28 4.535 -10.498 8.854 194 HA LEU 28 HA LEU 28 7.258 -10.711 8.326 195 HB2 LEU 28 1HB LEU 28 4.766 -10.812 6.659 196 HB3 LEU 28 2HB LEU 28 6.295 -10.703 5.785 197 HG LEU 28 HG LEU 28 5.530 -13.050 6.074 198 HD11 LEU 28 1HD1 LEU 28 7.621 -13.948 6.654 199 HD12 LEU 28 2HD1 LEU 28 8.014 -12.667 7.770 200 HD13 LEU 28 3HD1 LEU 28 7.998 -12.355 6.031 201 HD21 LEU 28 3HD2 LEU 28 4.376 -12.852 8.204 202 HD22 LEU 28 1HD2 LEU 28 5.878 -12.482 9.046 203 HD23 LEU 28 2HD2 LEU 28 5.631 -14.070 8.334 204 H PHE 29 H PHE 29 5.029 -8.254 7.006 205 HA PHE 29 HA PHE 29 7.029 -6.770 5.699 206 HB2 PHE 29 1HB PHE 29 4.369 -5.925 6.872 207 HB3 PHE 29 2HB PHE 29 5.387 -4.857 5.899 208 HD1 PHE 29 HD2 PHE 29 6.218 -5.867 3.596 209 HD2 PHE 29 HD1 PHE 29 2.758 -7.254 5.743 210 HE1 PHE 29 HE2 PHE 29 5.300 -6.837 1.505 211 HE2 PHE 29 HE1 PHE 29 1.849 -8.218 3.650 212 HZ PHE 29 HZ PHE 29 3.118 -8.009 1.532 213 H GLU 30 H GLU 30 5.680 -6.451 8.992 214 HA GLU 30 HA GLU 30 7.064 -4.168 9.788 215 HB2 GLU 30 1HB GLU 30 6.031 -6.583 11.254 216 HB3 GLU 30 2HB GLU 30 6.981 -5.396 12.144 217 HG2 GLU 30 1HG GLU 30 4.563 -4.645 10.470 218 HG3 GLU 30 2HG GLU 30 4.460 -5.034 12.188 219 H LYS 31 H LYS 31 8.167 -7.527 9.665 220 HA LYS 31 HA LYS 31 10.656 -7.025 10.989 221 HB2 LYS 31 1HB LYS 31 9.703 -9.278 9.209 222 HB3 LYS 31 2HB LYS 31 11.305 -9.252 9.956 223 HG2 LYS 31 1HG LYS 31 10.304 -9.132 12.188 224 HG3 LYS 31 2HG LYS 31 8.696 -9.032 11.489 225 HD2 LYS 31 1HD LYS 31 8.868 -11.319 12.066 226 HD3 LYS 31 2HD LYS 31 9.268 -11.317 10.348 227 HE2 LYS 31 1HE LYS 31 11.649 -11.420 10.853 228 HE3 LYS 31 2HE LYS 31 11.334 -11.222 12.576 229 HZ1 LYS 31 3HZ LYS 31 10.310 -13.314 12.691 230 HZ2 LYS 31 1HZ LYS 31 11.716 -13.563 11.775 231 HZ3 LYS 31 2HZ LYS 31 10.208 -13.462 11.001 232 H ALA 32 H ALA 32 9.694 -7.257 7.577 233 HA ALA 32 HA ALA 32 12.290 -6.912 6.512 234 HB1 ALA 32 3HB ALA 32 10.568 -7.818 5.119 235 HB2 ALA 32 1HB ALA 32 11.040 -6.267 4.425 236 HB3 ALA 32 2HB ALA 32 9.550 -6.399 5.362 237 H ILE 33 H ILE 33 9.617 -4.602 6.949 238 HA ILE 33 HA ILE 33 10.953 -2.314 6.037 239 HB ILE 33 HB ILE 33 8.795 -2.556 8.148 240 HG12 ILE 33 1HG1 ILE 33 8.546 -1.888 5.199 241 HG13 ILE 33 2HG1 ILE 33 8.323 -3.514 5.841 242 HG21 ILE 33 1HG2 ILE 33 9.808 -0.365 8.323 243 HG22 ILE 33 2HG2 ILE 33 8.291 -0.183 7.451 244 HG23 ILE 33 3HG2 ILE 33 9.815 -0.178 6.566 245 HD11 ILE 33 3HD1 ILE 33 6.490 -2.751 7.257 246 HD12 ILE 33 1HD1 ILE 33 6.169 -2.277 5.586 247 HD13 ILE 33 2HD1 ILE 33 6.756 -1.082 6.747 248 H GLN 34 H GLN 34 11.055 -3.964 9.139 249 HA GLN 34 HA GLN 34 12.332 -1.871 10.594 250 HB2 GLN 34 1HB GLN 34 11.136 -3.697 11.709 251 HB3 GLN 34 2HB GLN 34 12.307 -4.861 11.088 252 HG2 GLN 34 1HG GLN 34 14.092 -3.837 12.377 253 HG3 GLN 34 2HG GLN 34 13.035 -2.510 12.866 254 HE21 GLN 34 2HE2 GLN 34 14.301 -4.210 14.817 255 HE22 GLN 34 1HE2 GLN 34 13.090 -5.114 15.591 256 H LEU 35 H LEU 35 13.457 -4.499 8.559 257 HA LEU 35 HA LEU 35 16.212 -4.268 9.293 258 HB2 LEU 35 1HB LEU 35 14.824 -5.549 6.929 259 HB3 LEU 35 2HB LEU 35 16.569 -5.603 7.162 260 HG LEU 35 HG LEU 35 14.607 -6.562 9.273 261 HD11 LEU 35 1HD1 LEU 35 15.151 -8.865 8.472 262 HD12 LEU 35 2HD1 LEU 35 16.014 -8.161 7.106 263 HD13 LEU 35 3HD1 LEU 35 14.276 -7.929 7.262 264 HD21 LEU 35 3HD2 LEU 35 16.721 -7.933 9.896 265 HD22 LEU 35 1HD2 LEU 35 16.724 -6.225 10.287 266 HD23 LEU 35 2HD2 LEU 35 17.600 -6.804 8.873 267 H ASP 36 H ASP 36 14.199 -2.894 6.761 268 HA ASP 36 HA ASP 36 16.068 -0.723 6.402 269 HB2 ASP 36 1HB ASP 36 17.066 -2.557 5.048 270 HB3 ASP 36 2HB ASP 36 15.602 -2.565 4.064 271 HA PRO 37 HA PRO 37 11.766 0.368 5.274 272 HB2 PRO 37 1HB PRO 37 11.576 2.745 6.552 273 HB3 PRO 37 2HB PRO 37 11.523 1.213 7.449 274 HG2 PRO 37 1HG PRO 37 13.809 3.118 7.092 275 HG3 PRO 37 2HG PRO 37 13.285 2.248 8.552 276 HD2 PRO 37 1HD PRO 37 15.364 1.408 6.890 277 HD3 PRO 37 2HD PRO 37 14.458 0.326 7.976 278 H GLU 38 H GLU 38 13.561 0.499 3.313 279 HA GLU 38 HA GLU 38 13.229 3.210 2.133 280 HB2 GLU 38 1HB GLU 38 15.594 2.834 2.874 281 HB3 GLU 38 2HB GLU 38 15.674 1.440 1.797 282 HG2 GLU 38 1HG GLU 38 15.246 2.878 -0.143 283 HG3 GLU 38 2HG GLU 38 15.046 4.277 0.910 284 H GLU 39 H GLU 39 12.842 -0.166 1.857 285 HA GLU 39 HA GLU 39 12.781 -0.269 -1.038 286 HB2 GLU 39 1HB GLU 39 13.337 -2.171 0.695 287 HB3 GLU 39 2HB GLU 39 11.593 -2.376 0.793 288 HG2 GLU 39 1HG GLU 39 12.364 -3.891 -0.899 289 HG3 GLU 39 2HG GLU 39 11.587 -2.553 -1.744 290 H SER 40 H SER 40 11.232 1.194 -1.717 291 HA SER 40 HA SER 40 8.691 1.612 -0.689 292 HB2 SER 40 1HB SER 40 9.475 1.664 -3.601 293 HB3 SER 40 2HB SER 40 8.108 2.508 -2.868 294 HG SER 40 HG SER 40 10.857 2.889 -2.281 295 H LYS 41 H LYS 41 9.809 -0.853 -2.940 296 HA LYS 41 HA LYS 41 7.417 -1.929 -3.840 297 HB2 LYS 41 1HB LYS 41 9.700 -2.657 -4.569 298 HB3 LYS 41 2HB LYS 41 9.876 -3.517 -3.042 299 HG2 LYS 41 1HG LYS 41 7.959 -4.945 -3.577 300 HG3 LYS 41 2HG LYS 41 7.688 -4.050 -5.074 301 HD2 LYS 41 1HD LYS 41 9.914 -4.750 -5.902 302 HD3 LYS 41 2HD LYS 41 10.190 -5.647 -4.407 303 HE2 LYS 41 1HE LYS 41 8.222 -7.062 -4.893 304 HE3 LYS 41 2HE LYS 41 7.946 -6.167 -6.387 305 HZ1 LYS 41 3HZ LYS 41 9.376 -8.393 -6.273 306 HZ2 LYS 41 1HZ LYS 41 10.614 -7.263 -6.012 307 HZ3 LYS 41 2HZ LYS 41 9.664 -7.169 -7.418 308 H TYR 42 H TYR 42 8.960 -2.313 -0.698 309 HA TYR 42 HA TYR 42 7.155 -4.382 0.215 310 HB2 TYR 42 1HB TYR 42 9.339 -2.718 1.462 311 HB3 TYR 42 2HB TYR 42 8.251 -3.627 2.500 312 HD1 TYR 42 HD1 TYR 42 10.043 -4.234 -0.771 313 HD2 TYR 42 HD2 TYR 42 9.111 -5.711 3.149 314 HE1 TYR 42 HE1 TYR 42 11.362 -6.280 -1.226 315 HE2 TYR 42 HE2 TYR 42 10.426 -7.756 2.692 316 HH TYR 42 HH TYR 42 11.634 -8.493 -0.479 317 H TRP 43 H TRP 43 7.429 -0.865 0.563 318 HA TRP 43 HA TRP 43 5.281 -0.644 2.444 319 HB2 TRP 43 1HB TRP 43 6.974 1.224 0.830 320 HB3 TRP 43 2HB TRP 43 5.439 1.861 1.400 321 HD1 TRP 43 HD1 TRP 43 8.921 1.324 2.501 322 HE1 TRP 43 HE1 TRP 43 9.120 1.717 5.044 323 HE3 TRP 43 HE3 TRP 43 3.982 1.365 3.769 324 HZ2 TRP 43 HZ2 TRP 43 7.396 2.011 7.319 325 HZ3 TRP 43 HZ3 TRP 43 3.283 1.699 6.121 326 HH2 TRP 43 HH2 TRP 43 4.982 2.019 7.898 327 H LEU 44 H LEU 44 5.558 -0.505 -1.076 328 HA LEU 44 HA LEU 44 3.058 0.543 -1.685 329 HB2 LEU 44 1HB LEU 44 4.705 0.257 -3.420 330 HB3 LEU 44 2HB LEU 44 4.777 -1.470 -3.146 331 HG LEU 44 HG LEU 44 2.472 -1.741 -3.954 332 HD11 LEU 44 1HD1 LEU 44 1.457 0.406 -5.047 333 HD12 LEU 44 2HD1 LEU 44 2.564 1.275 -3.999 334 HD13 LEU 44 3HD1 LEU 44 1.346 0.226 -3.303 335 HD21 LEU 44 3HD2 LEU 44 2.867 -1.320 -6.249 336 HD22 LEU 44 1HD2 LEU 44 4.458 -1.622 -5.552 337 HD23 LEU 44 2HD2 LEU 44 3.946 0.031 -5.906 338 H MET 45 H MET 45 4.030 -2.801 -0.937 339 HA MET 45 HA MET 45 1.559 -3.990 -1.560 340 HB2 MET 45 1HB MET 45 3.748 -4.785 0.385 341 HB3 MET 45 2HB MET 45 2.377 -5.818 -0.019 342 HG2 MET 45 1HG MET 45 3.019 -5.753 -2.403 343 HG3 MET 45 2HG MET 45 4.370 -4.692 -2.015 344 HE1 MET 45 3HE MET 45 2.572 -7.883 -1.228 345 HE2 MET 45 1HE MET 45 3.816 -9.125 -1.056 346 HE3 MET 45 2HE MET 45 3.477 -8.427 -2.640 347 H LYS 46 H LYS 46 2.831 -2.575 1.411 348 HA LYS 46 HA LYS 46 0.844 -3.325 3.188 349 HB2 LYS 46 1HB LYS 46 2.947 -1.999 3.715 350 HB3 LYS 46 2HB LYS 46 2.098 -0.573 3.125 351 HG2 LYS 46 1HG LYS 46 1.798 -0.580 5.505 352 HG3 LYS 46 2HG LYS 46 0.258 -1.102 4.822 353 HD2 LYS 46 1HD LYS 46 0.589 -3.359 5.458 354 HD3 LYS 46 2HD LYS 46 2.336 -3.162 5.634 355 HE2 LYS 46 1HE LYS 46 2.000 -1.796 7.626 356 HE3 LYS 46 2HE LYS 46 0.251 -1.877 7.422 357 HZ1 LYS 46 3HZ LYS 46 1.854 -3.666 8.779 358 HZ2 LYS 46 1HZ LYS 46 1.374 -4.471 7.364 359 HZ3 LYS 46 2HZ LYS 46 0.203 -3.837 8.420 360 H GLY 47 H GLY 47 0.883 -0.451 1.083 361 HA2 GLY 47 1HA GLY 47 -1.512 0.730 1.838 362 HA3 GLY 47 2HA GLY 47 -0.859 0.788 0.210 363 H LYS 48 H LYS 48 -1.029 -1.780 -0.652 364 HA LYS 48 HA LYS 48 -3.727 -2.026 -1.388 365 HB2 LYS 48 1HB LYS 48 -1.245 -3.635 -1.706 366 HB3 LYS 48 2HB LYS 48 -2.709 -4.615 -1.732 367 HG2 LYS 48 1HG LYS 48 -2.324 -4.027 -3.996 368 HG3 LYS 48 2HG LYS 48 -3.621 -2.970 -3.472 369 HD2 LYS 48 1HD LYS 48 -2.236 -1.384 -4.478 370 HD3 LYS 48 2HD LYS 48 -1.590 -1.322 -2.839 371 HE2 LYS 48 1HE LYS 48 0.191 -1.505 -4.552 372 HE3 LYS 48 2HE LYS 48 0.195 -2.887 -3.463 373 HZ1 LYS 48 3HZ LYS 48 -0.068 -2.866 -6.249 374 HZ2 LYS 48 1HZ LYS 48 -1.529 -3.435 -5.601 375 HZ3 LYS 48 2HZ LYS 48 -0.069 -4.205 -5.204 376 H ALA 49 H ALA 49 -1.917 -3.544 1.259 377 HA ALA 49 HA ALA 49 -3.900 -5.404 2.001 378 HB1 ALA 49 3HB ALA 49 -1.939 -4.018 3.844 379 HB2 ALA 49 1HB ALA 49 -1.506 -5.363 2.787 380 HB3 ALA 49 2HB ALA 49 -2.691 -5.597 4.072 381 H LEU 50 H LEU 50 -3.175 -2.153 3.253 382 HA LEU 50 HA LEU 50 -5.325 -2.038 5.086 383 HB2 LEU 50 1HB LEU 50 -3.493 -0.079 3.749 384 HB3 LEU 50 2HB LEU 50 -4.919 0.588 4.532 385 HG LEU 50 HG LEU 50 -4.291 -0.460 6.653 386 HD11 LEU 50 1HD1 LEU 50 -2.064 -1.648 4.988 387 HD12 LEU 50 2HD1 LEU 50 -3.253 -2.501 5.971 388 HD13 LEU 50 3HD1 LEU 50 -1.984 -1.569 6.745 389 HD21 LEU 50 3HD2 LEU 50 -3.177 1.746 5.744 390 HD22 LEU 50 1HD2 LEU 50 -1.713 0.780 5.688 391 HD23 LEU 50 2HD2 LEU 50 -2.568 1.010 7.213 392 H TYR 51 H TYR 51 -5.104 -1.062 1.683 393 HA TYR 51 HA TYR 51 -7.659 0.116 1.538 394 HB2 TYR 51 1HB TYR 51 -6.115 0.539 -0.232 395 HB3 TYR 51 2HB TYR 51 -5.885 -1.181 -0.545 396 HD1 TYR 51 HD1 TYR 51 -8.145 1.698 -0.969 397 HD2 TYR 51 HD2 TYR 51 -7.592 -2.495 -1.719 398 HE1 TYR 51 HE1 TYR 51 -10.035 1.730 -2.581 399 HE2 TYR 51 HE2 TYR 51 -9.478 -2.457 -3.332 400 HH TYR 51 HH TYR 51 -11.352 0.520 -3.889 401 H ASN 52 H ASN 52 -6.583 -3.207 0.751 402 HA ASN 52 HA ASN 52 -9.088 -4.194 -0.015 403 HB2 ASN 52 1HB ASN 52 -6.682 -5.571 1.202 404 HB3 ASN 52 2HB ASN 52 -8.087 -6.437 0.581 405 HD21 ASN 52 2HD2 ASN 52 -8.658 -4.848 -1.716 406 HD22 ASN 52 1HD2 ASN 52 -7.369 -5.004 -2.809 407 H LEU 53 H LEU 53 -7.679 -3.654 3.114 408 HA LEU 53 HA LEU 53 -9.695 -5.185 4.530 409 HB2 LEU 53 1HB LEU 53 -7.245 -3.640 5.272 410 HB3 LEU 53 2HB LEU 53 -8.497 -3.714 6.519 411 HG LEU 53 HG LEU 53 -8.530 -6.236 6.195 412 HD11 LEU 53 1HD1 LEU 53 -5.854 -5.894 4.847 413 HD12 LEU 53 2HD1 LEU 53 -7.333 -6.025 3.893 414 HD13 LEU 53 3HD1 LEU 53 -6.859 -7.331 4.966 415 HD21 LEU 53 3HD2 LEU 53 -7.417 -5.253 8.096 416 HD22 LEU 53 1HD2 LEU 53 -5.969 -4.924 7.137 417 HD23 LEU 53 2HD2 LEU 53 -6.441 -6.594 7.485 418 H GLU 54 H GLU 54 -10.087 -2.584 2.826 419 HA GLU 54 HA GLU 54 -11.799 -1.047 2.740 420 HB2 GLU 54 1HB GLU 54 -12.632 -2.049 5.484 421 HB3 GLU 54 2HB GLU 54 -13.579 -1.076 4.388 422 HG2 GLU 54 1HG GLU 54 -12.577 -3.860 3.735 423 HG3 GLU 54 2HG GLU 54 -14.194 -3.497 4.336 424 H ARG 55 H ARG 55 -9.142 -0.654 4.021 425 HA ARG 55 HA ARG 55 -9.732 1.628 5.837 426 HB2 ARG 55 1HB ARG 55 -6.994 0.416 5.492 427 HB3 ARG 55 2HB ARG 55 -7.670 1.262 6.858 428 HG2 ARG 55 1HG ARG 55 -8.596 -1.450 5.955 429 HG3 ARG 55 2HG ARG 55 -7.422 -1.184 7.227 430 HD2 ARG 55 1HD ARG 55 -9.107 0.228 8.420 431 HD3 ARG 55 2HD ARG 55 -10.290 -0.212 7.190 432 HE ARG 55 HE ARG 55 -9.057 -2.510 8.400 433 HH11 ARG 55 1HH2 ARG 55 -11.489 -0.069 8.722 434 HH12 ARG 55 2HH2 ARG 55 -12.509 -1.024 9.745 435 HH21 ARG 55 1HH1 ARG 55 -10.388 -3.767 9.742 436 HH22 ARG 55 2HH1 ARG 55 -11.885 -3.118 10.323 437 H TYR 56 H TYR 56 -10.329 2.567 3.590 438 HA TYR 56 HA TYR 56 -8.339 3.257 1.733 439 HB2 TYR 56 1HB TYR 56 -10.708 5.027 2.374 440 HB3 TYR 56 2HB TYR 56 -9.933 4.744 0.814 441 HD1 TYR 56 HD1 TYR 56 -10.269 2.608 -0.386 442 HD2 TYR 56 HD2 TYR 56 -12.305 3.447 3.294 443 HE1 TYR 56 HE1 TYR 56 -11.838 0.746 -0.839 444 HE2 TYR 56 HE2 TYR 56 -13.881 1.585 2.845 445 HH TYR 56 HH TYR 56 -13.320 -0.772 0.518 446 H GLU 57 H GLU 57 -9.435 4.824 4.706 447 HA GLU 57 HA GLU 57 -7.989 7.233 4.399 448 HB2 GLU 57 1HB GLU 57 -8.910 5.786 6.899 449 HB3 GLU 57 2HB GLU 57 -8.299 7.440 6.865 450 HG2 GLU 57 1HG GLU 57 -10.662 6.505 5.216 451 HG3 GLU 57 2HG GLU 57 -10.824 7.248 6.806 452 H GLU 58 H GLU 58 -7.231 4.297 6.250 453 HA GLU 58 HA GLU 58 -4.620 5.173 6.996 454 HB2 GLU 58 1HB GLU 58 -5.827 2.416 6.929 455 HB3 GLU 58 2HB GLU 58 -4.254 2.754 7.595 456 HG2 GLU 58 1HG GLU 58 -5.639 2.848 9.503 457 HG3 GLU 58 2HG GLU 58 -5.487 4.541 9.063 458 H ALA 59 H ALA 59 -5.872 3.220 4.339 459 HA ALA 59 HA ALA 59 -3.491 2.222 3.321 460 HB1 ALA 59 3HB ALA 59 -4.674 2.272 1.098 461 HB2 ALA 59 1HB ALA 59 -5.981 3.146 1.896 462 HB3 ALA 59 2HB ALA 59 -5.584 1.502 2.399 463 H VAL 60 H VAL 60 -4.939 5.414 2.897 464 HA VAL 60 HA VAL 60 -3.131 6.383 0.971 465 HB VAL 60 HB VAL 60 -4.855 7.750 3.033 466 HG11 VAL 60 1HG1 VAL 60 -2.958 8.995 1.018 467 HG12 VAL 60 2HG1 VAL 60 -3.061 9.308 2.753 468 HG13 VAL 60 3HG1 VAL 60 -4.339 9.876 1.681 469 HG21 VAL 60 3HG2 VAL 60 -4.983 7.757 -0.002 470 HG22 VAL 60 1HG2 VAL 60 -6.217 8.331 1.126 471 HG23 VAL 60 2HG2 VAL 60 -5.866 6.606 1.011 472 H ASP 61 H ASP 61 -2.907 6.117 4.468 473 HA ASP 61 HA ASP 61 -0.768 7.840 4.937 474 HB2 ASP 61 1HB ASP 61 -1.245 5.189 6.318 475 HB3 ASP 61 2HB ASP 61 -0.368 6.569 6.956 476 H CYS 62 H CYS 62 -0.793 4.498 3.765 477 HA CYS 62 HA CYS 62 2.012 4.096 3.898 478 HB2 CYS 62 1HB CYS 62 -0.084 2.812 2.133 479 HB3 CYS 62 2HB CYS 62 1.585 2.256 2.266 480 HG CYS 62 HG CYS 62 1.105 1.288 4.516 481 H TYR 63 H TYR 63 -0.115 5.018 1.179 482 HA TYR 63 HA TYR 63 1.959 5.373 -0.704 483 HB2 TYR 63 1HB TYR 63 -0.686 6.857 -0.614 484 HB3 TYR 63 2HB TYR 63 0.316 6.570 -2.036 485 HD1 TYR 63 HD2 TYR 63 1.072 3.662 -1.613 486 HD2 TYR 63 HD1 TYR 63 -2.691 5.682 -1.156 487 HE1 TYR 63 HE2 TYR 63 -0.105 1.559 -1.996 488 HE2 TYR 63 HE1 TYR 63 -3.872 3.544 -1.544 489 HH TYR 63 HH TYR 63 -2.532 0.636 -1.281 490 H ASN 64 H ASN 64 0.401 7.684 1.500 491 HA ASN 64 HA ASN 64 1.797 9.952 0.596 492 HB2 ASN 64 1HB ASN 64 0.608 9.255 3.291 493 HB3 ASN 64 2HB ASN 64 1.285 10.840 2.917 494 HD21 ASN 64 2HD2 ASN 64 -0.001 9.609 0.064 495 HD22 ASN 64 1HD2 ASN 64 -1.533 10.335 0.135 496 H TYR 65 H TYR 65 2.594 7.512 3.034 497 HA TYR 65 HA TYR 65 4.906 8.746 4.059 498 HB2 TYR 65 1HB TYR 65 3.882 6.842 5.174 499 HB3 TYR 65 2HB TYR 65 4.220 5.808 3.788 500 HD1 TYR 65 HD1 TYR 65 6.606 5.333 3.136 501 HD2 TYR 65 HD2 TYR 65 5.579 7.299 6.819 502 HE1 TYR 65 HE1 TYR 65 8.858 4.829 4.031 503 HE2 TYR 65 HE2 TYR 65 7.834 6.788 7.715 504 HH TYR 65 HH TYR 65 9.751 4.580 6.721 505 H VAL 66 H VAL 66 4.477 6.459 1.371 506 HA VAL 66 HA VAL 66 7.240 6.281 0.712 507 HB VAL 66 HB VAL 66 4.754 5.770 -0.940 508 HG11 VAL 66 1HG1 VAL 66 6.535 6.168 -2.515 509 HG12 VAL 66 2HG1 VAL 66 6.370 4.420 -2.381 510 HG13 VAL 66 3HG1 VAL 66 7.676 5.250 -1.536 511 HG21 VAL 66 3HG2 VAL 66 5.063 4.307 1.028 512 HG22 VAL 66 1HG2 VAL 66 6.695 3.918 0.481 513 HG23 VAL 66 2HG2 VAL 66 5.300 3.409 -0.471 514 H ILE 67 H ILE 67 4.607 8.322 -0.537 515 HA ILE 67 HA ILE 67 6.212 9.630 -2.493 516 HB ILE 67 HB ILE 67 3.580 10.402 -1.201 517 HG12 ILE 67 1HG1 ILE 67 4.142 9.372 -4.010 518 HG13 ILE 67 2HG1 ILE 67 3.755 8.295 -2.665 519 HG21 ILE 67 1HG2 ILE 67 5.054 11.634 -3.581 520 HG22 ILE 67 2HG2 ILE 67 4.631 12.440 -2.059 521 HG23 ILE 67 3HG2 ILE 67 3.361 11.947 -3.173 522 HD11 ILE 67 3HD1 ILE 67 1.729 8.869 -3.953 523 HD12 ILE 67 1HD1 ILE 67 2.013 10.581 -3.637 524 HD13 ILE 67 2HD1 ILE 67 1.633 9.489 -2.305 525 H ASN 68 H ASN 68 5.382 10.333 0.867 526 HA ASN 68 HA ASN 68 6.620 12.921 0.896 527 HB2 ASN 68 1HB ASN 68 5.743 11.066 3.124 528 HB3 ASN 68 2HB ASN 68 6.306 12.720 3.365 529 HD21 ASN 68 2HD2 ASN 68 5.031 13.774 0.910 530 HD22 ASN 68 1HD2 ASN 68 3.363 13.791 1.208 531 H VAL 69 H VAL 69 7.455 10.035 2.790 532 HA VAL 69 HA VAL 69 9.999 10.798 3.551 533 HB VAL 69 HB VAL 69 9.067 8.006 2.825 534 HG11 VAL 69 1HG1 VAL 69 11.435 7.904 2.943 535 HG12 VAL 69 2HG1 VAL 69 10.884 7.397 4.541 536 HG13 VAL 69 3HG1 VAL 69 11.507 9.031 4.303 537 HG21 VAL 69 3HG2 VAL 69 7.690 8.316 4.634 538 HG22 VAL 69 1HG2 VAL 69 8.462 9.829 5.089 539 HG23 VAL 69 2HG2 VAL 69 9.137 8.301 5.635 540 H ILE 70 H ILE 70 9.095 9.027 0.600 541 HA ILE 70 HA ILE 70 11.814 9.505 -0.493 542 HB ILE 70 HB ILE 70 9.689 7.644 -1.579 543 HG12 ILE 70 1HG1 ILE 70 12.015 7.024 0.255 544 HG13 ILE 70 2HG1 ILE 70 10.315 6.978 0.720 545 HG21 ILE 70 1HG2 ILE 70 12.674 7.651 -1.989 546 HG22 ILE 70 2HG2 ILE 70 11.546 8.442 -3.091 547 HG23 ILE 70 3HG2 ILE 70 11.471 6.700 -2.859 548 HD11 ILE 70 3HD1 ILE 70 11.751 5.193 -1.255 549 HD12 ILE 70 1HD1 ILE 70 9.995 5.297 -1.193 550 HD13 ILE 70 2HD1 ILE 70 10.888 4.718 0.209 551 H GLU 71 H GLU 71 11.977 11.214 -1.755 552 HA GLU 71 HA GLU 71 9.754 12.629 -2.856 553 HB2 GLU 71 1HB GLU 71 11.495 13.989 -3.990 554 HB3 GLU 71 2HB GLU 71 11.821 13.787 -2.267 555 HG2 GLU 71 1HG GLU 71 13.393 11.947 -2.784 556 HG3 GLU 71 2HG GLU 71 13.083 12.169 -4.507 557 H ASP 72 H ASP 72 10.104 9.766 -3.674 558 HA ASP 72 HA ASP 72 11.003 9.419 -6.271 559 HB2 ASP 72 1HB ASP 72 10.257 7.552 -4.886 560 HB3 ASP 72 2HB ASP 72 8.602 8.158 -4.908 561 H GLU 73 H GLU 73 7.701 10.267 -5.248 562 HA GLU 73 HA GLU 73 5.879 10.890 -6.573 563 HB2 GLU 73 1HB GLU 73 7.082 12.949 -5.684 564 HB3 GLU 73 2HB GLU 73 7.819 13.094 -7.268 565 HG2 GLU 73 1HG GLU 73 5.689 13.414 -8.340 566 HG3 GLU 73 2HG GLU 73 4.823 12.973 -6.871 567 H TYR 74 H TYR 74 7.014 8.923 -8.001 568 HA TYR 74 HA TYR 74 6.418 9.673 -10.709 569 HB2 TYR 74 1HB TYR 74 8.803 10.425 -10.457 570 HB3 TYR 74 2HB TYR 74 9.240 8.757 -10.084 571 HD1 TYR 74 HD1 TYR 74 7.420 10.802 -12.647 572 HD2 TYR 74 HD2 TYR 74 9.764 7.284 -11.873 573 HE1 TYR 74 HE1 TYR 74 7.478 10.301 -15.071 574 HE2 TYR 74 HE2 TYR 74 9.821 6.788 -14.289 575 HH TYR 74 HH TYR 74 8.714 9.068 -16.665 576 H ASN 75 H ASN 75 5.795 7.713 -8.490 577 HA ASN 75 HA ASN 75 6.394 5.147 -9.865 578 HB2 ASN 75 1HB ASN 75 5.439 5.804 -7.067 579 HB3 ASN 75 2HB ASN 75 5.467 4.162 -7.710 580 HD21 ASN 75 2HD2 ASN 75 7.059 5.000 -5.450 581 HD22 ASN 75 1HD2 ASN 75 8.693 4.901 -5.899 582 H LYS 76 H LYS 76 4.954 4.791 -11.416 583 HA LYS 76 HA LYS 76 2.291 5.712 -11.503 584 HB2 LYS 76 1HB LYS 76 3.665 3.407 -12.917 585 HB3 LYS 76 2HB LYS 76 2.034 3.961 -13.301 586 HG2 LYS 76 1HG LYS 76 2.888 6.197 -13.844 587 HG3 LYS 76 2HG LYS 76 4.521 5.704 -13.392 588 HD2 LYS 76 1HD LYS 76 4.570 4.064 -15.182 589 HD3 LYS 76 2HD LYS 76 2.894 4.411 -15.602 590 HE2 LYS 76 1HE LYS 76 4.340 5.607 -17.155 591 HE3 LYS 76 2HE LYS 76 3.567 6.780 -16.089 592 HZ1 LYS 76 3HZ LYS 76 5.500 7.155 -14.946 593 HZ2 LYS 76 1HZ LYS 76 6.111 6.879 -16.503 594 HZ3 LYS 76 2HZ LYS 76 6.172 5.645 -15.338 595 H ASP 77 H ASP 77 3.721 2.720 -10.288 596 HA ASP 77 HA ASP 77 1.318 1.280 -9.898 597 HB2 ASP 77 1HB ASP 77 4.012 1.149 -8.523 598 HB3 ASP 77 2HB ASP 77 2.706 0.013 -8.190 599 H VAL 78 H VAL 78 3.167 3.395 -7.724 600 HA VAL 78 HA VAL 78 1.454 3.074 -5.480 601 HB VAL 78 HB VAL 78 3.324 5.351 -6.193 602 HG11 VAL 78 1HG1 VAL 78 1.931 4.645 -3.598 603 HG12 VAL 78 2HG1 VAL 78 1.741 6.134 -4.526 604 HG13 VAL 78 3HG1 VAL 78 3.268 5.788 -3.716 605 HG21 VAL 78 3HG2 VAL 78 4.216 2.900 -5.839 606 HG22 VAL 78 1HG2 VAL 78 3.832 3.177 -4.139 607 HG23 VAL 78 2HG2 VAL 78 4.993 4.214 -4.954 608 H TRP 79 H TRP 79 1.593 5.552 -8.033 609 HA TRP 79 HA TRP 79 -0.477 7.189 -7.061 610 HB2 TRP 79 1HB TRP 79 0.505 6.688 -9.885 611 HB3 TRP 79 2HB TRP 79 -0.675 7.932 -9.470 612 HD1 TRP 79 HD1 TRP 79 1.831 7.601 -6.739 613 HE1 TRP 79 HE1 TRP 79 3.554 9.485 -6.876 614 HE3 TRP 79 HE3 TRP 79 0.773 9.430 -11.386 615 HZ2 TRP 79 HZ2 TRP 79 4.383 11.504 -8.714 616 HZ3 TRP 79 HZ3 TRP 79 2.049 11.335 -12.305 617 HH2 TRP 79 HH2 TRP 79 3.860 12.382 -10.975 618 H ALA 80 H ALA 80 -0.596 4.483 -9.397 619 HA ALA 80 HA ALA 80 -3.342 4.577 -9.914 620 HB1 ALA 80 3HB ALA 80 -3.057 2.161 -10.523 621 HB2 ALA 80 1HB ALA 80 -1.420 2.237 -9.872 622 HB3 ALA 80 2HB ALA 80 -1.862 3.223 -11.267 623 H ALA 81 H ALA 81 -1.525 2.892 -7.369 624 HA ALA 81 HA ALA 81 -3.713 1.486 -6.259 625 HB1 ALA 81 3HB ALA 81 -1.245 1.098 -5.794 626 HB2 ALA 81 1HB ALA 81 -2.297 1.076 -4.378 627 HB3 ALA 81 2HB ALA 81 -1.310 2.499 -4.722 628 H LYS 82 H LYS 82 -2.272 4.627 -5.413 629 HA LYS 82 HA LYS 82 -3.947 5.236 -3.243 630 HB2 LYS 82 1HB LYS 82 -1.866 6.467 -3.803 631 HB3 LYS 82 2HB LYS 82 -2.672 7.155 -5.213 632 HG2 LYS 82 1HG LYS 82 -4.325 8.247 -3.756 633 HG3 LYS 82 2HG LYS 82 -3.588 7.520 -2.337 634 HD2 LYS 82 1HD LYS 82 -1.478 8.716 -2.818 635 HD3 LYS 82 2HD LYS 82 -2.221 9.446 -4.237 636 HE2 LYS 82 1HE LYS 82 -3.879 10.574 -2.837 637 HE3 LYS 82 2HE LYS 82 -3.226 9.798 -1.397 638 HZ1 LYS 82 3HZ LYS 82 -1.945 11.606 -1.256 639 HZ2 LYS 82 1HZ LYS 82 -2.252 12.077 -2.855 640 HZ3 LYS 82 2HZ LYS 82 -1.042 10.929 -2.527 641 H ALA 83 H ALA 83 -4.332 5.897 -6.718 642 HA ALA 83 HA ALA 83 -6.619 7.471 -6.652 643 HB1 ALA 83 3HB ALA 83 -5.372 6.904 -8.717 644 HB2 ALA 83 1HB ALA 83 -7.101 6.602 -8.898 645 HB3 ALA 83 2HB ALA 83 -5.991 5.256 -8.626 646 H ASP 84 H ASP 84 -6.475 3.909 -6.787 647 HA ASP 84 HA ASP 84 -9.187 3.346 -6.751 648 HB2 ASP 84 1HB ASP 84 -7.356 1.655 -6.955 649 HB3 ASP 84 2HB ASP 84 -7.059 1.824 -5.226 650 H ALA 85 H ALA 85 -7.074 4.248 -4.056 651 HA ALA 85 HA ALA 85 -8.923 3.739 -1.975 652 HB1 ALA 85 3HB ALA 85 -6.801 5.890 -1.907 653 HB2 ALA 85 1HB ALA 85 -6.403 4.176 -1.793 654 HB3 ALA 85 2HB ALA 85 -7.424 4.929 -0.567 655 H LEU 86 H LEU 86 -8.226 6.631 -3.894 656 HA LEU 86 HA LEU 86 -10.118 8.294 -2.516 657 HB2 LEU 86 1HB LEU 86 -8.408 8.532 -4.989 658 HB3 LEU 86 2HB LEU 86 -9.713 9.697 -4.760 659 HG LEU 86 HG LEU 86 -8.812 10.296 -2.545 660 HD11 LEU 86 1HD1 LEU 86 -7.825 8.233 -1.824 661 HD12 LEU 86 2HD1 LEU 86 -6.505 9.390 -1.964 662 HD13 LEU 86 3HD1 LEU 86 -6.760 8.189 -3.224 663 HD21 LEU 86 3HD2 LEU 86 -7.980 11.611 -4.398 664 HD22 LEU 86 1HD2 LEU 86 -6.778 10.380 -4.796 665 HD23 LEU 86 2HD2 LEU 86 -6.637 11.304 -3.294 666 H ARG 87 H ARG 87 -10.248 6.090 -5.216 667 HA ARG 87 HA ARG 87 -12.643 7.065 -6.360 668 HB2 ARG 87 1HB ARG 87 -10.989 5.541 -7.474 669 HB3 ARG 87 2HB ARG 87 -11.593 4.240 -6.442 670 HG2 ARG 87 1HG ARG 87 -13.791 4.381 -7.400 671 HG3 ARG 87 2HG ARG 87 -13.402 5.886 -8.238 672 HD2 ARG 87 1HD ARG 87 -12.021 3.252 -8.774 673 HD3 ARG 87 2HD ARG 87 -13.371 3.868 -9.722 674 HE ARG 87 HE ARG 87 -11.441 5.881 -9.640 675 HH11 ARG 87 1HH2 ARG 87 -11.825 2.643 -10.787 676 HH12 ARG 87 2HH2 ARG 87 -10.728 2.835 -12.115 677 HH21 ARG 87 1HH1 ARG 87 -10.001 6.145 -11.379 678 HH22 ARG 87 2HH1 ARG 87 -9.696 4.818 -12.450 679 H TYR 88 H TYR 88 -12.028 5.472 -3.485 680 HA TYR 88 HA TYR 88 -14.915 4.982 -3.052 681 HB2 TYR 88 1HB TYR 88 -12.680 3.001 -2.510 682 HB3 TYR 88 2HB TYR 88 -14.319 2.844 -1.875 683 HD1 TYR 88 HD2 TYR 88 -16.256 2.629 -3.437 684 HD2 TYR 88 HD1 TYR 88 -12.194 2.499 -4.832 685 HE1 TYR 88 HE2 TYR 88 -17.022 1.637 -5.576 686 HE2 TYR 88 HE1 TYR 88 -12.963 1.506 -6.971 687 HH TYR 88 HH TYR 88 -15.311 1.592 -8.300 688 H ILE 89 H ILE 89 -14.076 7.186 -2.083 689 HA ILE 89 HA ILE 89 -13.534 6.720 0.804 690 HB ILE 89 HB ILE 89 -11.540 7.680 -0.398 691 HG12 ILE 89 1HG1 ILE 89 -12.817 9.644 1.533 692 HG13 ILE 89 2HG1 ILE 89 -12.116 8.110 2.048 693 HG21 ILE 89 1HG2 ILE 89 -11.606 9.870 -1.343 694 HG22 ILE 89 2HG2 ILE 89 -13.212 10.197 -0.681 695 HG23 ILE 89 3HG2 ILE 89 -13.019 9.047 -2.001 696 HD11 ILE 89 3HD1 ILE 89 -10.641 10.300 0.559 697 HD12 ILE 89 1HD1 ILE 89 -9.948 8.764 1.085 698 HD13 ILE 89 2HD1 ILE 89 -10.489 9.944 2.282 699 H GLU 90 H GLU 90 -14.682 7.971 2.234 700 HA GLU 90 HA GLU 90 -17.195 8.985 1.337 701 HB2 GLU 90 1HB GLU 90 -16.814 7.936 3.569 702 HB3 GLU 90 2HB GLU 90 -15.862 9.346 4.037 703 HG2 GLU 90 1HG GLU 90 -17.813 10.801 3.675 704 HG3 GLU 90 2HG GLU 90 -18.763 9.410 3.156 705 H GLY 91 H GLY 91 -16.806 10.670 -0.117 706 HA2 GLY 91 1HA GLY 91 -16.703 13.283 0.889 707 HA3 GLY 91 2HA GLY 91 -15.085 12.874 0.327 708 H LYS 92 H LYS 92 -15.237 14.450 -1.332 709 HA LYS 92 HA LYS 92 -17.326 14.387 -3.302 710 HB2 LYS 92 1HB LYS 92 -14.567 15.640 -3.457 711 HB3 LYS 92 2HB LYS 92 -15.939 15.969 -4.518 712 HG2 LYS 92 1HG LYS 92 -17.247 16.780 -2.565 713 HG3 LYS 92 2HG LYS 92 -15.853 16.471 -1.522 714 HD2 LYS 92 1HD LYS 92 -15.571 18.765 -1.976 715 HD3 LYS 92 2HD LYS 92 -14.573 18.045 -3.242 716 HE2 LYS 92 1HE LYS 92 -16.015 19.772 -4.208 717 HE3 LYS 92 2HE LYS 92 -16.528 18.197 -4.797 718 HZ1 LYS 92 3HZ LYS 92 -18.093 20.042 -3.520 719 HZ2 LYS 92 1HZ LYS 92 -17.803 18.856 -2.343 720 HZ3 LYS 92 2HZ LYS 92 -18.495 18.422 -3.834 721 H GLU 93 H GLU 93 -17.139 13.732 -5.479 722 HA GLU 93 HA GLU 93 -15.501 11.328 -5.860 723 HB2 GLU 93 1HB GLU 93 -17.707 12.594 -7.507 724 HB3 GLU 93 2HB GLU 93 -16.854 11.117 -7.964 725 HG2 GLU 93 1HG GLU 93 -17.593 10.002 -5.931 726 HG3 GLU 93 2HG GLU 93 -18.336 11.490 -5.343 727 H VAL 94 H VAL 94 -15.381 14.647 -6.620 728 HA VAL 94 HA VAL 94 -14.088 14.583 -9.129 729 HB VAL 94 HB VAL 94 -15.078 16.621 -8.032 730 HG11 VAL 94 1HG1 VAL 94 -13.953 16.081 -5.782 731 HG12 VAL 94 2HG1 VAL 94 -13.902 17.766 -6.298 732 HG13 VAL 94 3HG1 VAL 94 -12.477 16.743 -6.479 733 HG21 VAL 94 3HG2 VAL 94 -13.489 16.737 -9.966 734 HG22 VAL 94 1HG2 VAL 94 -12.159 16.898 -8.817 735 HG23 VAL 94 2HG2 VAL 94 -13.397 18.151 -8.915 736 H GLU 95 H GLU 95 -12.887 14.285 -5.823 737 HA GLU 95 HA GLU 95 -10.163 14.639 -6.199 738 HB2 GLU 95 1HB GLU 95 -11.618 12.680 -4.393 739 HB3 GLU 95 2HB GLU 95 -9.891 13.017 -4.291 740 HG2 GLU 95 1HG GLU 95 -10.350 15.386 -3.846 741 HG3 GLU 95 2HG GLU 95 -12.083 15.095 -4.011 742 H ALA 96 H ALA 96 -11.999 11.580 -6.498 743 HA ALA 96 HA ALA 96 -9.889 9.927 -7.251 744 HB1 ALA 96 3HB ALA 96 -12.660 9.672 -8.455 745 HB2 ALA 96 1HB ALA 96 -12.357 9.346 -6.749 746 HB3 ALA 96 2HB ALA 96 -11.539 8.386 -7.988 747 H GLU 97 H GLU 97 -11.553 12.393 -9.067 748 HA GLU 97 HA GLU 97 -10.893 11.479 -11.676 749 HB2 GLU 97 1HB GLU 97 -12.590 13.322 -10.941 750 HB3 GLU 97 2HB GLU 97 -11.198 14.407 -10.949 751 HG2 GLU 97 1HG GLU 97 -12.196 14.591 -13.113 752 HG3 GLU 97 2HG GLU 97 -10.736 13.624 -13.322 753 H ILE 98 H ILE 98 -9.346 13.888 -9.548 754 HA ILE 98 HA ILE 98 -7.217 14.561 -11.250 755 HB ILE 98 HB ILE 98 -7.594 14.620 -8.244 756 HG12 ILE 98 1HG1 ILE 98 -7.498 17.058 -8.619 757 HG13 ILE 98 2HG1 ILE 98 -7.183 16.791 -10.333 758 HG21 ILE 98 1HG2 ILE 98 -5.401 16.002 -8.230 759 HG22 ILE 98 2HG2 ILE 98 -5.064 15.250 -9.796 760 HG23 ILE 98 3HG2 ILE 98 -5.240 14.247 -8.350 761 HD11 ILE 98 3HD1 ILE 98 -9.638 15.631 -9.006 762 HD12 ILE 98 1HD1 ILE 98 -9.350 15.941 -10.721 763 HD13 ILE 98 2HD1 ILE 98 -9.623 17.286 -9.612 764 H ALA 99 H ALA 99 -7.477 11.999 -8.770 765 HA ALA 99 HA ALA 99 -4.813 11.089 -9.063 766 HB1 ALA 99 3HB ALA 99 -6.393 10.610 -7.142 767 HB2 ALA 99 1HB ALA 99 -5.490 9.223 -7.744 768 HB3 ALA 99 2HB ALA 99 -7.186 9.431 -8.187 769 H GLU 100 H GLU 100 -7.890 9.901 -10.405 770 HA GLU 100 HA GLU 100 -6.858 7.762 -11.881 771 HB2 GLU 100 1HB GLU 100 -9.284 8.231 -11.492 772 HB3 GLU 100 2HB GLU 100 -9.178 9.537 -12.673 773 HG2 GLU 100 1HG GLU 100 -8.502 7.949 -14.412 774 HG3 GLU 100 2HG GLU 100 -8.502 6.633 -13.239 775 H ALA 101 H ALA 101 -7.340 11.160 -12.843 776 HA ALA 101 HA ALA 101 -6.308 10.795 -15.487 777 HB1 ALA 101 3HB ALA 101 -6.632 13.305 -13.826 778 HB2 ALA 101 1HB ALA 101 -7.803 12.654 -14.973 779 HB3 ALA 101 2HB ALA 101 -6.254 13.269 -15.549 780 H ARG 102 H ARG 102 -4.923 12.096 -12.480 781 HA ARG 102 HA ARG 102 -2.389 12.783 -13.509 782 HB2 ARG 102 1HB ARG 102 -3.200 13.513 -11.282 783 HB3 ARG 102 2HB ARG 102 -3.078 11.847 -10.704 784 HG2 ARG 102 1HG ARG 102 -0.671 11.849 -11.033 785 HG3 ARG 102 2HG ARG 102 -0.738 13.427 -11.822 786 HD2 ARG 102 1HD ARG 102 -0.010 13.731 -9.518 787 HD3 ARG 102 2HD ARG 102 -1.625 14.408 -9.703 788 HE ARG 102 HE ARG 102 -2.466 12.733 -8.308 789 HH11 ARG 102 1HH2 ARG 102 0.802 12.103 -9.255 790 HH12 ARG 102 2HH2 ARG 102 1.030 10.812 -8.124 791 HH21 ARG 102 1HH1 ARG 102 -2.174 11.042 -6.816 792 HH22 ARG 102 2HH1 ARG 102 -0.657 10.211 -6.743 793 H ALA 103 H ALA 103 -3.587 9.726 -12.152 794 HA ALA 103 HA ALA 103 -1.186 8.319 -12.042 795 HB1 ALA 103 3HB ALA 103 -2.530 6.312 -12.103 796 HB2 ALA 103 1HB ALA 103 -3.878 7.191 -12.825 797 HB3 ALA 103 2HB ALA 103 -3.389 7.534 -11.165 798 H LYS 104 H LYS 104 -3.485 8.601 -14.731 799 HA LYS 104 HA LYS 104 -1.792 7.085 -16.520 800 HB2 LYS 104 1HB LYS 104 -4.250 7.018 -16.699 801 HB3 LYS 104 2HB LYS 104 -4.266 8.739 -17.072 802 HG2 LYS 104 1HG LYS 104 -4.443 7.531 -19.150 803 HG3 LYS 104 2HG LYS 104 -2.842 8.247 -19.102 804 HD2 LYS 104 1HD LYS 104 -1.791 6.161 -18.609 805 HD3 LYS 104 2HD LYS 104 -3.319 5.406 -18.152 806 HE2 LYS 104 1HE LYS 104 -4.083 5.518 -20.467 807 HE3 LYS 104 2HE LYS 104 -2.613 6.374 -20.936 808 HZ1 LYS 104 3HZ LYS 104 -2.703 3.651 -19.762 809 HZ2 LYS 104 1HZ LYS 104 -1.313 4.471 -20.285 810 HZ3 LYS 104 2HZ LYS 104 -2.492 3.994 -21.412 811 H LEU 105 H LEU 105 -2.800 10.478 -16.249 812 HA LEU 105 HA LEU 105 -1.949 12.397 -17.168 813 HB2 LEU 105 1HB LEU 105 0.155 10.935 -15.893 814 HB3 LEU 105 2HB LEU 105 0.865 11.557 -17.381 815 HG LEU 105 HG LEU 105 -0.675 13.284 -15.409 816 HD11 LEU 105 1HD1 LEU 105 1.267 12.417 -14.278 817 HD12 LEU 105 2HD1 LEU 105 1.590 14.092 -14.730 818 HD13 LEU 105 3HD1 LEU 105 2.294 12.770 -15.668 819 HD21 LEU 105 3HD2 LEU 105 0.614 15.103 -16.624 820 HD22 LEU 105 1HD2 LEU 105 -0.605 14.293 -17.609 821 HD23 LEU 105 2HD2 LEU 105 1.103 13.882 -17.799 822 H GLU 106 H GLU 106 -0.096 13.071 -18.946 823 HA GLU 106 HA GLU 106 -1.160 12.261 -21.427 824 HB2 GLU 106 1HB GLU 106 -0.028 14.450 -20.987 825 HB3 GLU 106 2HB GLU 106 1.512 13.593 -20.905 826 HG2 GLU 106 1HG GLU 106 1.232 12.800 -23.202 827 HG3 GLU 106 2HG GLU 106 -0.361 13.550 -23.288 828 H HIS 107 H HIS 107 -0.613 10.674 -22.795 829 HA HIS 107 HA HIS 107 1.948 9.483 -22.990 830 HB2 HIS 107 1HB HIS 107 -0.049 8.196 -21.155 831 HB3 HIS 107 2HB HIS 107 0.864 7.111 -22.205 832 HD1 HIS 107 HD1 HIS 107 3.588 8.519 -22.224 833 HD2 HIS 107 HD2 HIS 107 1.351 7.920 -18.762 834 HE1 HIS 107 HE1 HIS 107 5.225 8.593 -20.296 835 HE2 HIS 107 HE2 HIS 107 3.875 8.230 -18.175 836 H HIS 108 H HIS 108 -1.436 8.327 -23.215 837 HA HIS 108 HA HIS 108 -2.563 7.350 -24.964 838 HB2 HIS 108 1HB HIS 108 -0.986 9.479 -26.429 839 HB3 HIS 108 2HB HIS 108 -2.310 8.559 -27.144 840 HD1 HIS 108 HD1 HIS 108 -4.707 8.880 -26.030 841 HD2 HIS 108 HD2 HIS 108 -1.791 11.565 -24.740 842 HE1 HIS 108 HE1 HIS 108 -5.933 10.761 -24.856 843 HE2 HIS 108 HE2 HIS 108 -4.168 12.406 -24.063 844 H HIS 109 H HIS 109 -0.069 8.100 -27.233 845 HA HIS 109 HA HIS 109 1.110 6.706 -28.652 846 HB2 HIS 109 1HB HIS 109 1.834 5.604 -25.923 847 HB3 HIS 109 2HB HIS 109 2.677 5.173 -27.411 848 HD1 HIS 109 HD1 HIS 109 3.140 7.678 -28.858 849 HD2 HIS 109 HD2 HIS 109 3.312 7.582 -24.694 850 HE1 HIS 109 HE1 HIS 109 4.508 9.689 -28.152 851 HE2 HIS 109 HE2 HIS 109 4.622 9.645 -25.616 852 H HIS 110 H HIS 110 0.749 4.129 -26.309 853 HA HIS 110 HA HIS 110 -1.383 2.823 -27.807 854 HB2 HIS 110 1HB HIS 110 0.033 0.764 -28.131 855 HB3 HIS 110 2HB HIS 110 0.490 2.135 -29.143 856 HD1 HIS 110 HD1 HIS 110 2.892 2.796 -29.044 857 HD2 HIS 110 HD2 HIS 110 1.748 0.664 -25.650 858 HE1 HIS 110 HE1 HIS 110 4.989 2.473 -27.661 859 HE2 HIS 110 HE2 HIS 110 4.308 1.174 -25.588 860 H HIS 111 H HIS 111 -2.361 1.163 -26.678 861 HA HIS 111 HA HIS 111 -1.893 1.186 -23.786 862 HB2 HIS 111 1HB HIS 111 -4.053 -0.063 -25.507 863 HB3 HIS 111 2HB HIS 111 -3.985 -0.210 -23.751 864 HD1 HIS 111 HD1 HIS 111 -3.807 2.253 -22.474 865 HD2 HIS 111 HD2 HIS 111 -5.415 2.199 -26.320 866 HE1 HIS 111 HE1 HIS 111 -5.090 4.419 -22.744 867 HE2 HIS 111 HE2 HIS 111 -6.077 4.402 -25.084 868 H HIS 112 H HIS 112 -0.945 -0.656 -26.464 869 HA HIS 112 HA HIS 112 0.087 -2.693 -26.694 870 HB2 HIS 112 1HB HIS 112 1.622 -1.643 -25.052 871 HB3 HIS 112 2HB HIS 112 0.658 -2.324 -23.742 872 HD1 HIS 112 HD1 HIS 112 0.687 -4.931 -23.459 873 HD2 HIS 112 HD2 HIS 112 3.300 -3.497 -26.374 874 HE1 HIS 112 HE1 HIS 112 2.249 -6.843 -24.023 875 HE2 HIS 112 HE2 HIS 112 3.849 -5.985 -25.799 Start of MODEL 3 1 H1 MET 1 1H MET 1 23.569 -12.523 12.840 2 H2 MET 1 2H MET 1 23.878 -10.866 13.046 3 H3 MET 1 3H MET 1 25.169 -11.965 12.935 4 HA MET 1 HA MET 1 25.084 -10.953 10.843 5 HB2 MET 1 1HB MET 1 25.202 -13.460 10.843 6 HB3 MET 1 2HB MET 1 23.451 -13.501 10.636 7 HG2 MET 1 1HG MET 1 23.653 -12.245 8.530 8 HG3 MET 1 2HG MET 1 25.401 -12.161 8.738 9 HE1 MET 1 3HE MET 1 23.749 -13.669 6.049 10 HE2 MET 1 1HE MET 1 25.281 -14.520 5.823 11 HE3 MET 1 2HE MET 1 25.272 -12.849 6.379 12 H VAL 2 H VAL 2 23.886 -9.106 10.609 13 HA VAL 2 HA VAL 2 21.010 -9.088 10.638 14 HB VAL 2 HB VAL 2 22.356 -7.123 11.318 15 HG11 VAL 2 1HG1 VAL 2 24.111 -7.472 9.520 16 HG12 VAL 2 2HG1 VAL 2 23.552 -5.810 9.697 17 HG13 VAL 2 3HG1 VAL 2 22.960 -6.802 8.364 18 HG21 VAL 2 3HG2 VAL 2 19.993 -6.944 10.439 19 HG22 VAL 2 1HG2 VAL 2 20.671 -6.563 8.857 20 HG23 VAL 2 2HG2 VAL 2 20.951 -5.481 10.219 21 H ASP 3 H ASP 3 19.592 -9.051 8.951 22 HA ASP 3 HA ASP 3 20.514 -10.109 6.424 23 HB2 ASP 3 1HB ASP 3 17.787 -9.273 7.434 24 HB3 ASP 3 2HB ASP 3 18.068 -9.960 5.836 25 H GLN 4 H GLN 4 21.573 -8.753 5.133 26 HA GLN 4 HA GLN 4 21.083 -5.945 4.964 27 HB2 GLN 4 1HB GLN 4 23.266 -7.075 4.386 28 HB3 GLN 4 2HB GLN 4 22.487 -7.701 2.932 29 HG2 GLN 4 1HG GLN 4 23.643 -5.669 2.322 30 HG3 GLN 4 2HG GLN 4 21.920 -5.327 2.300 31 HE21 GLN 4 2HE2 GLN 4 22.517 -3.006 2.664 32 HE22 GLN 4 1HE2 GLN 4 22.909 -2.490 4.234 33 H ASN 5 H ASN 5 19.921 -8.759 3.248 34 HA ASN 5 HA ASN 5 18.028 -7.022 1.754 35 HB2 ASN 5 1HB ASN 5 19.425 -9.417 0.569 36 HB3 ASN 5 2HB ASN 5 18.329 -8.300 -0.240 37 HD21 ASN 5 2HD2 ASN 5 19.347 -5.824 0.791 38 HD22 ASN 5 1HD2 ASN 5 20.917 -5.608 0.184 39 HA PRO 6 HA PRO 6 15.746 -10.422 3.928 40 HB2 PRO 6 1HB PRO 6 13.625 -8.341 4.092 41 HB3 PRO 6 2HB PRO 6 14.321 -9.337 5.383 42 HG2 PRO 6 1HG PRO 6 14.878 -6.740 5.203 43 HG3 PRO 6 2HG PRO 6 16.105 -7.914 5.710 44 HD2 PRO 6 1HD PRO 6 15.765 -6.619 3.012 45 HD3 PRO 6 2HD PRO 6 17.245 -6.903 3.956 46 H GLU 7 H GLU 7 16.036 -10.238 1.102 47 HA GLU 7 HA GLU 7 13.589 -9.906 -0.275 48 HB2 GLU 7 1HB GLU 7 15.828 -9.902 -1.357 49 HB3 GLU 7 2HB GLU 7 15.959 -11.631 -1.036 50 HG2 GLU 7 1HG GLU 7 14.023 -12.095 -2.415 51 HG3 GLU 7 2HG GLU 7 13.703 -10.375 -2.624 52 H GLU 8 H GLU 8 14.823 -12.433 1.715 53 HA GLU 8 HA GLU 8 13.269 -14.586 0.633 54 HB2 GLU 8 1HB GLU 8 14.589 -14.192 3.324 55 HB3 GLU 8 2HB GLU 8 13.792 -15.686 2.830 56 HG2 GLU 8 1HG GLU 8 15.318 -15.943 0.955 57 HG3 GLU 8 2HG GLU 8 16.058 -14.380 1.300 58 H TYR 9 H TYR 9 12.728 -12.137 3.100 59 HA TYR 9 HA TYR 9 10.459 -13.194 4.350 60 HB2 TYR 9 1HB TYR 9 11.416 -10.374 3.878 61 HB3 TYR 9 2HB TYR 9 9.918 -10.698 4.742 62 HD1 TYR 9 HD1 TYR 9 13.572 -11.581 4.731 63 HD2 TYR 9 HD2 TYR 9 9.968 -11.247 7.049 64 HE1 TYR 9 HE1 TYR 9 14.855 -12.039 6.799 65 HE2 TYR 9 HE2 TYR 9 11.255 -11.707 9.108 66 HH TYR 9 HH TYR 9 13.256 -12.045 9.987 67 H TYR 10 H TYR 10 10.849 -12.114 1.152 68 HA TYR 10 HA TYR 10 8.387 -10.999 0.495 69 HB2 TYR 10 1HB TYR 10 9.047 -11.252 -1.706 70 HB3 TYR 10 2HB TYR 10 10.586 -11.538 -0.924 71 HD1 TYR 10 HD2 TYR 10 11.112 -14.028 -0.238 72 HD2 TYR 10 HD1 TYR 10 8.152 -12.916 -3.128 73 HE1 TYR 10 HE2 TYR 10 11.181 -16.315 -1.171 74 HE2 TYR 10 HE1 TYR 10 8.214 -15.205 -4.064 75 HH TYR 10 HH TYR 10 10.417 -17.205 -3.884 76 H LEU 11 H LEU 11 9.095 -14.179 1.539 77 HA LEU 11 HA LEU 11 7.418 -15.909 0.321 78 HB2 LEU 11 1HB LEU 11 7.181 -17.083 2.405 79 HB3 LEU 11 2HB LEU 11 8.802 -16.422 2.293 80 HG LEU 11 HG LEU 11 7.469 -14.351 3.581 81 HD11 LEU 11 1HD1 LEU 11 6.157 -15.384 5.396 82 HD12 LEU 11 2HD1 LEU 11 6.295 -16.950 4.610 83 HD13 LEU 11 3HD1 LEU 11 5.400 -15.648 3.832 84 HD21 LEU 11 3HD2 LEU 11 8.594 -15.111 5.609 85 HD22 LEU 11 1HD2 LEU 11 9.646 -15.388 4.222 86 HD23 LEU 11 2HD2 LEU 11 8.765 -16.735 4.941 87 H GLU 12 H GLU 12 6.507 -13.093 2.091 88 HA GLU 12 HA GLU 12 3.913 -13.668 2.848 89 HB2 GLU 12 1HB GLU 12 4.893 -11.630 3.543 90 HB3 GLU 12 2HB GLU 12 5.228 -11.129 1.891 91 HG2 GLU 12 1HG GLU 12 3.262 -9.933 2.880 92 HG3 GLU 12 2HG GLU 12 2.830 -10.841 1.447 93 H GLY 13 H GLY 13 5.049 -12.336 -0.228 94 HA2 GLY 13 1HA GLY 13 2.819 -11.876 -1.673 95 HA3 GLY 13 2HA GLY 13 4.187 -12.726 -2.385 96 H VAL 14 H VAL 14 4.060 -15.122 -0.914 97 HA VAL 14 HA VAL 14 2.032 -16.532 -2.353 98 HB VAL 14 HB VAL 14 3.781 -17.433 -0.055 99 HG11 VAL 14 1HG1 VAL 14 3.352 -19.705 -1.094 100 HG12 VAL 14 2HG1 VAL 14 2.090 -18.943 -2.061 101 HG13 VAL 14 3HG1 VAL 14 1.958 -18.976 -0.303 102 HG21 VAL 14 3HG2 VAL 14 4.143 -17.595 -3.063 103 HG22 VAL 14 1HG2 VAL 14 5.173 -18.409 -1.885 104 HG23 VAL 14 2HG2 VAL 14 5.117 -16.646 -1.941 105 H LEU 15 H LEU 15 2.538 -16.019 1.148 106 HA LEU 15 HA LEU 15 0.317 -17.213 2.192 107 HB2 LEU 15 1HB LEU 15 1.299 -14.463 3.017 108 HB3 LEU 15 2HB LEU 15 0.366 -15.581 4.005 109 HG LEU 15 HG LEU 15 3.188 -15.986 2.983 110 HD11 LEU 15 1HD1 LEU 15 3.120 -14.524 4.887 111 HD12 LEU 15 2HD1 LEU 15 3.648 -16.101 5.462 112 HD13 LEU 15 3HD1 LEU 15 1.987 -15.572 5.731 113 HD21 LEU 15 3HD2 LEU 15 1.218 -17.885 4.280 114 HD22 LEU 15 1HD2 LEU 15 2.948 -18.089 4.550 115 HD23 LEU 15 2HD2 LEU 15 2.304 -18.171 2.918 116 H GLN 16 H GLN 16 0.275 -13.702 1.497 117 HA GLN 16 HA GLN 16 -2.421 -13.241 1.671 118 HB2 GLN 16 1HB GLN 16 -0.675 -11.524 1.137 119 HB3 GLN 16 2HB GLN 16 -0.644 -12.122 -0.521 120 HG2 GLN 16 1HG GLN 16 -3.067 -11.615 -0.730 121 HG3 GLN 16 2HG GLN 16 -3.058 -10.975 0.910 122 HE21 GLN 16 2HE2 GLN 16 -3.381 -8.740 0.493 123 HE22 GLN 16 1HE2 GLN 16 -2.348 -7.810 -0.478 124 H TYR 17 H TYR 17 -0.760 -14.241 -1.362 125 HA TYR 17 HA TYR 17 -2.979 -14.501 -2.993 126 HB2 TYR 17 1HB TYR 17 -0.597 -14.787 -3.686 127 HB3 TYR 17 2HB TYR 17 -0.606 -16.374 -2.929 128 HD1 TYR 17 HD1 TYR 17 -2.277 -14.317 -5.567 129 HD2 TYR 17 HD2 TYR 17 -1.513 -18.260 -4.038 130 HE1 TYR 17 HE1 TYR 17 -3.276 -15.306 -7.610 131 HE2 TYR 17 HE2 TYR 17 -2.511 -19.245 -6.077 132 HH TYR 17 HH TYR 17 -2.850 -18.444 -8.528 133 H ASP 18 H ASP 18 -1.442 -17.269 -1.313 134 HA ASP 18 HA ASP 18 -3.821 -18.881 -1.628 135 HB2 ASP 18 1HB ASP 18 -1.254 -19.342 -0.103 136 HB3 ASP 18 2HB ASP 18 -2.538 -20.535 -0.278 137 H ALA 19 H ALA 19 -1.999 -18.246 1.339 138 HA ALA 19 HA ALA 19 -4.336 -18.531 2.992 139 HB1 ALA 19 3HB ALA 19 -2.009 -19.164 3.704 140 HB2 ALA 19 1HB ALA 19 -2.857 -18.131 4.854 141 HB3 ALA 19 2HB ALA 19 -1.625 -17.446 3.791 142 H GLY 20 H GLY 20 -5.858 -16.981 2.762 143 HA2 GLY 20 1HA GLY 20 -5.342 -14.219 2.261 144 HA3 GLY 20 2HA GLY 20 -6.886 -14.924 2.728 145 H ASN 21 H ASN 21 -3.695 -14.504 4.267 146 HA ASN 21 HA ASN 21 -5.096 -13.524 6.703 147 HB2 ASN 21 1HB ASN 21 -2.415 -14.897 6.423 148 HB3 ASN 21 2HB ASN 21 -3.077 -14.265 7.928 149 HD21 ASN 21 2HD2 ASN 21 -4.195 -15.774 9.142 150 HD22 ASN 21 1HD2 ASN 21 -4.939 -17.168 8.523 151 H TYR 22 H TYR 22 -4.971 -11.546 5.081 152 HA TYR 22 HA TYR 22 -2.698 -10.115 4.541 153 HB2 TYR 22 1HB TYR 22 -5.238 -8.918 5.665 154 HB3 TYR 22 2HB TYR 22 -4.049 -8.104 4.649 155 HD1 TYR 22 HD2 TYR 22 -3.844 -8.647 2.257 156 HD2 TYR 22 HD1 TYR 22 -6.785 -10.560 4.736 157 HE1 TYR 22 HE2 TYR 22 -5.019 -9.467 0.232 158 HE2 TYR 22 HE1 TYR 22 -7.957 -11.379 2.711 159 HH TYR 22 HH TYR 22 -7.608 -10.175 -0.228 160 H THR 23 H THR 23 -4.426 -10.348 7.634 161 HA THR 23 HA THR 23 -3.001 -8.425 9.089 162 HB THR 23 HB THR 23 -3.973 -11.068 10.215 163 HG1 THR 23 HG1 THR 23 -5.878 -10.433 9.681 164 HG21 THR 23 3HG2 THR 23 -4.363 -9.719 12.231 165 HG22 THR 23 1HG2 THR 23 -3.769 -8.285 11.399 166 HG23 THR 23 2HG2 THR 23 -2.672 -9.621 11.745 167 H GLU 24 H GLU 24 -2.306 -11.921 8.709 168 HA GLU 24 HA GLU 24 -0.012 -12.044 10.285 169 HB2 GLU 24 1HB GLU 24 -1.124 -14.012 9.280 170 HB3 GLU 24 2HB GLU 24 -0.524 -13.522 7.699 171 HG2 GLU 24 1HG GLU 24 1.786 -13.775 8.445 172 HG3 GLU 24 2HG GLU 24 1.243 -14.141 10.082 173 H SER 25 H SER 25 -0.350 -11.054 6.898 174 HA SER 25 HA SER 25 2.305 -10.907 6.130 175 HB2 SER 25 1HB SER 25 1.635 -9.383 4.462 176 HB3 SER 25 2HB SER 25 0.187 -10.326 4.783 177 HG SER 25 HG SER 25 0.560 -7.708 4.986 178 H ILE 26 H ILE 26 0.521 -8.716 8.227 179 HA ILE 26 HA ILE 26 2.320 -6.554 8.294 180 HB ILE 26 HB ILE 26 0.352 -7.629 10.299 181 HG12 ILE 26 1HG1 ILE 26 -0.806 -5.539 9.822 182 HG13 ILE 26 2HG1 ILE 26 0.534 -4.998 8.819 183 HG21 ILE 26 1HG2 ILE 26 1.936 -6.787 11.811 184 HG22 ILE 26 2HG2 ILE 26 0.824 -5.442 11.581 185 HG23 ILE 26 3HG2 ILE 26 2.379 -5.451 10.746 186 HD11 ILE 26 3HD1 ILE 26 -1.511 -6.007 7.609 187 HD12 ILE 26 1HD1 ILE 26 -0.946 -7.557 8.217 188 HD13 ILE 26 2HD1 ILE 26 0.077 -6.612 7.142 189 H ASP 27 H ASP 27 2.270 -9.594 10.150 190 HA ASP 27 HA ASP 27 4.343 -8.943 11.925 191 HB2 ASP 27 1HB ASP 27 3.397 -11.589 10.809 192 HB3 ASP 27 2HB ASP 27 4.627 -11.455 12.057 193 H LEU 28 H LEU 28 4.414 -10.635 8.795 194 HA LEU 28 HA LEU 28 7.226 -10.976 8.757 195 HB2 LEU 28 1HB LEU 28 5.105 -11.005 6.620 196 HB3 LEU 28 2HB LEU 28 6.800 -11.201 6.205 197 HG LEU 28 HG LEU 28 5.592 -13.364 6.488 198 HD11 LEU 28 1HD1 LEU 28 7.610 -13.204 8.720 199 HD12 LEU 28 2HD1 LEU 28 8.108 -12.977 7.044 200 HD13 LEU 28 3HD1 LEU 28 7.339 -14.479 7.539 201 HD21 LEU 28 3HD2 LEU 28 4.109 -12.493 8.364 202 HD22 LEU 28 1HD2 LEU 28 5.497 -12.696 9.436 203 HD23 LEU 28 2HD2 LEU 28 4.802 -14.094 8.623 204 H PHE 29 H PHE 29 5.141 -8.484 7.321 205 HA PHE 29 HA PHE 29 7.192 -7.040 6.054 206 HB2 PHE 29 1HB PHE 29 4.458 -6.339 7.082 207 HB3 PHE 29 2HB PHE 29 5.506 -5.043 6.534 208 HD1 PHE 29 HD2 PHE 29 6.819 -5.703 4.211 209 HD2 PHE 29 HD1 PHE 29 2.965 -7.159 5.444 210 HE1 PHE 29 HE2 PHE 29 6.250 -6.193 1.861 211 HE2 PHE 29 HE1 PHE 29 2.403 -7.643 3.082 212 HZ PHE 29 HZ PHE 29 4.042 -7.162 1.294 213 H GLU 30 H GLU 30 5.854 -6.725 9.349 214 HA GLU 30 HA GLU 30 7.259 -4.492 10.183 215 HB2 GLU 30 1HB GLU 30 5.529 -5.672 11.514 216 HB3 GLU 30 2HB GLU 30 6.679 -6.969 11.822 217 HG2 GLU 30 1HG GLU 30 8.180 -5.407 12.969 218 HG3 GLU 30 2HG GLU 30 7.096 -4.067 12.604 219 H LYS 31 H LYS 31 8.342 -7.860 10.012 220 HA LYS 31 HA LYS 31 10.858 -7.414 11.270 221 HB2 LYS 31 1HB LYS 31 9.918 -9.592 9.395 222 HB3 LYS 31 2HB LYS 31 11.484 -9.604 10.201 223 HG2 LYS 31 1HG LYS 31 10.350 -9.502 12.396 224 HG3 LYS 31 2HG LYS 31 8.788 -9.505 11.587 225 HD2 LYS 31 1HD LYS 31 9.329 -11.731 10.595 226 HD3 LYS 31 2HD LYS 31 10.853 -11.734 11.474 227 HE2 LYS 31 1HE LYS 31 8.118 -11.574 12.776 228 HE3 LYS 31 2HE LYS 31 9.074 -13.046 12.624 229 HZ1 LYS 31 3HZ LYS 31 9.998 -10.583 13.995 230 HZ2 LYS 31 1HZ LYS 31 10.801 -12.075 13.938 231 HZ3 LYS 31 2HZ LYS 31 9.337 -11.934 14.786 232 H ALA 32 H ALA 32 9.837 -7.492 7.873 233 HA ALA 32 HA ALA 32 12.474 -7.054 6.834 234 HB1 ALA 32 3HB ALA 32 9.746 -6.686 5.582 235 HB2 ALA 32 1HB ALA 32 10.785 -8.107 5.464 236 HB3 ALA 32 2HB ALA 32 11.278 -6.589 4.713 237 H ILE 33 H ILE 33 9.614 -4.936 7.084 238 HA ILE 33 HA ILE 33 10.799 -2.575 6.203 239 HB ILE 33 HB ILE 33 8.658 -2.887 8.318 240 HG12 ILE 33 1HG1 ILE 33 8.495 -2.656 5.310 241 HG13 ILE 33 2HG1 ILE 33 8.072 -4.057 6.238 242 HG21 ILE 33 1HG2 ILE 33 9.193 -0.558 6.457 243 HG22 ILE 33 2HG2 ILE 33 9.700 -0.593 8.144 244 HG23 ILE 33 3HG2 ILE 33 7.996 -0.625 7.743 245 HD11 ILE 33 3HD1 ILE 33 6.346 -2.666 7.438 246 HD12 ILE 33 1HD1 ILE 33 6.016 -2.910 5.722 247 HD13 ILE 33 2HD1 ILE 33 6.673 -1.382 6.278 248 H GLN 34 H GLN 34 10.866 -4.100 9.392 249 HA GLN 34 HA GLN 34 12.131 -1.859 10.687 250 HB2 GLN 34 1HB GLN 34 10.761 -3.427 11.963 251 HB3 GLN 34 2HB GLN 34 11.852 -4.746 11.545 252 HG2 GLN 34 1HG GLN 34 13.662 -3.719 12.789 253 HG3 GLN 34 2HG GLN 34 12.701 -2.268 13.071 254 HE21 GLN 34 2HE2 GLN 34 10.470 -4.690 13.272 255 HE22 GLN 34 1HE2 GLN 34 10.553 -5.025 14.934 256 H LEU 35 H LEU 35 13.180 -4.807 9.088 257 HA LEU 35 HA LEU 35 15.861 -4.742 9.983 258 HB2 LEU 35 1HB LEU 35 14.406 -6.073 7.729 259 HB3 LEU 35 2HB LEU 35 16.158 -6.083 7.690 260 HG LEU 35 HG LEU 35 14.660 -6.958 10.172 261 HD11 LEU 35 1HD1 LEU 35 14.843 -9.289 9.347 262 HD12 LEU 35 2HD1 LEU 35 15.415 -8.685 7.798 263 HD13 LEU 35 3HD1 LEU 35 13.780 -8.326 8.329 264 HD21 LEU 35 3HD2 LEU 35 17.405 -7.525 9.008 265 HD22 LEU 35 1HD2 LEU 35 16.752 -8.351 10.418 266 HD23 LEU 35 2HD2 LEU 35 17.044 -6.620 10.474 267 H ASP 36 H ASP 36 14.277 -3.383 7.132 268 HA ASP 36 HA ASP 36 16.177 -1.255 6.960 269 HB2 ASP 36 1HB ASP 36 17.581 -3.061 6.079 270 HB3 ASP 36 2HB ASP 36 16.357 -3.424 4.863 271 HA PRO 37 HA PRO 37 12.313 -0.487 4.631 272 HB2 PRO 37 1HB PRO 37 11.502 1.788 5.807 273 HB3 PRO 37 2HB PRO 37 11.345 0.226 6.630 274 HG2 PRO 37 1HG PRO 37 13.337 2.380 7.078 275 HG3 PRO 37 2HG PRO 37 12.578 1.291 8.249 276 HD2 PRO 37 1HD PRO 37 15.169 0.941 7.095 277 HD3 PRO 37 2HD PRO 37 14.267 -0.290 8.004 278 H GLU 38 H GLU 38 13.144 -0.036 2.636 279 HA GLU 38 HA GLU 38 13.506 2.707 1.871 280 HB2 GLU 38 1HB GLU 38 15.778 1.977 2.871 281 HB3 GLU 38 2HB GLU 38 15.941 0.957 1.447 282 HG2 GLU 38 1HG GLU 38 15.683 2.947 -0.004 283 HG3 GLU 38 2HG GLU 38 15.523 3.962 1.425 284 H GLU 39 H GLU 39 11.690 0.799 1.055 285 HA GLU 39 HA GLU 39 12.178 0.720 -1.794 286 HB2 GLU 39 1HB GLU 39 12.850 -1.563 -0.236 287 HB3 GLU 39 2HB GLU 39 11.348 -1.966 -1.058 288 HG2 GLU 39 1HG GLU 39 13.167 -2.604 -2.496 289 HG3 GLU 39 2HG GLU 39 12.376 -1.200 -3.208 290 H SER 40 H SER 40 10.365 1.889 -2.175 291 HA SER 40 HA SER 40 7.929 1.834 -0.906 292 HB2 SER 40 1HB SER 40 8.260 3.503 -2.533 293 HB3 SER 40 2HB SER 40 8.651 2.317 -3.775 294 HG SER 40 HG SER 40 6.593 2.343 -4.220 295 H LYS 41 H LYS 41 9.278 -0.533 -3.035 296 HA LYS 41 HA LYS 41 7.047 -1.859 -4.012 297 HB2 LYS 41 1HB LYS 41 9.795 -2.373 -3.912 298 HB3 LYS 41 2HB LYS 41 9.111 -3.725 -3.030 299 HG2 LYS 41 1HG LYS 41 9.141 -4.485 -5.258 300 HG3 LYS 41 2HG LYS 41 7.476 -3.961 -5.028 301 HD2 LYS 41 1HD LYS 41 7.946 -1.837 -6.150 302 HD3 LYS 41 2HD LYS 41 9.654 -2.248 -6.275 303 HE2 LYS 41 1HE LYS 41 9.094 -4.174 -7.699 304 HE3 LYS 41 2HE LYS 41 7.380 -3.788 -7.560 305 HZ1 LYS 41 3HZ LYS 41 7.685 -2.536 -9.354 306 HZ2 LYS 41 1HZ LYS 41 9.375 -2.628 -9.246 307 HZ3 LYS 41 2HZ LYS 41 8.530 -1.449 -8.360 308 H TYR 42 H TYR 42 8.551 -2.190 -0.812 309 HA TYR 42 HA TYR 42 6.619 -4.169 0.055 310 HB2 TYR 42 1HB TYR 42 7.884 -4.305 2.038 311 HB3 TYR 42 2HB TYR 42 9.087 -3.982 0.798 312 HD1 TYR 42 HD1 TYR 42 6.865 -2.206 3.267 313 HD2 TYR 42 HD2 TYR 42 10.572 -2.162 1.099 314 HE1 TYR 42 HE1 TYR 42 7.555 -0.179 4.481 315 HE2 TYR 42 HE2 TYR 42 11.261 -0.141 2.339 316 HH TYR 42 HH TYR 42 9.489 1.044 5.066 317 H TRP 43 H TRP 43 7.201 -0.718 0.460 318 HA TRP 43 HA TRP 43 5.218 -0.339 2.461 319 HB2 TRP 43 1HB TRP 43 7.144 1.275 1.039 320 HB3 TRP 43 2HB TRP 43 5.602 2.096 1.033 321 HD1 TRP 43 HD1 TRP 43 8.498 2.363 2.904 322 HE1 TRP 43 HE1 TRP 43 8.082 2.853 5.408 323 HE3 TRP 43 HE3 TRP 43 3.589 1.067 3.258 324 HZ2 TRP 43 HZ2 TRP 43 5.924 2.719 7.297 325 HZ3 TRP 43 HZ3 TRP 43 2.369 1.242 5.389 326 HH2 TRP 43 HH2 TRP 43 3.527 2.074 7.416 327 H LEU 44 H LEU 44 5.228 -0.315 -1.051 328 HA LEU 44 HA LEU 44 2.724 0.904 -1.427 329 HB2 LEU 44 1HB LEU 44 4.304 0.725 -3.255 330 HB3 LEU 44 2HB LEU 44 4.292 -1.019 -3.145 331 HG LEU 44 HG LEU 44 1.645 -0.641 -3.538 332 HD11 LEU 44 1HD1 LEU 44 2.138 1.887 -3.584 333 HD12 LEU 44 2HD1 LEU 44 1.106 1.212 -4.838 334 HD13 LEU 44 3HD1 LEU 44 2.792 1.577 -5.195 335 HD21 LEU 44 3HD2 LEU 44 3.722 -0.576 -5.731 336 HD22 LEU 44 1HD2 LEU 44 2.030 -1.043 -5.915 337 HD23 LEU 44 2HD2 LEU 44 3.113 -2.031 -4.936 338 H MET 45 H MET 45 3.737 -2.452 -0.873 339 HA MET 45 HA MET 45 1.285 -3.672 -1.503 340 HB2 MET 45 1HB MET 45 3.575 -4.423 0.310 341 HB3 MET 45 2HB MET 45 2.173 -5.476 0.110 342 HG2 MET 45 1HG MET 45 2.555 -5.588 -2.301 343 HG3 MET 45 2HG MET 45 3.890 -4.449 -2.172 344 HE1 MET 45 3HE MET 45 3.608 -8.749 -0.685 345 HE2 MET 45 1HE MET 45 3.169 -8.342 -2.348 346 HE3 MET 45 2HE MET 45 2.323 -7.588 -1.000 347 H LYS 46 H LYS 46 2.556 -2.377 1.535 348 HA LYS 46 HA LYS 46 0.558 -3.176 3.280 349 HB2 LYS 46 1HB LYS 46 1.978 -0.520 3.207 350 HB3 LYS 46 2HB LYS 46 1.056 -1.102 4.570 351 HG2 LYS 46 1HG LYS 46 3.053 -3.061 3.600 352 HG3 LYS 46 2HG LYS 46 3.775 -1.558 4.148 353 HD2 LYS 46 1HD LYS 46 3.651 -3.037 6.066 354 HD3 LYS 46 2HD LYS 46 2.454 -1.774 6.298 355 HE2 LYS 46 1HE LYS 46 1.669 -4.375 4.988 356 HE3 LYS 46 2HE LYS 46 1.752 -4.234 6.740 357 HZ1 LYS 46 3HZ LYS 46 0.106 -2.571 4.920 358 HZ2 LYS 46 1HZ LYS 46 0.271 -2.295 6.583 359 HZ3 LYS 46 2HZ LYS 46 -0.452 -3.727 6.026 360 H GLY 47 H GLY 47 0.588 -0.233 1.262 361 HA2 GLY 47 1HA GLY 47 -1.815 0.893 2.055 362 HA3 GLY 47 2HA GLY 47 -1.161 1.023 0.425 363 H LYS 48 H LYS 48 -1.297 -1.520 -0.528 364 HA LYS 48 HA LYS 48 -3.969 -1.771 -1.341 365 HB2 LYS 48 1HB LYS 48 -1.867 -3.950 -1.272 366 HB3 LYS 48 2HB LYS 48 -3.319 -3.939 -2.267 367 HG2 LYS 48 1HG LYS 48 -2.507 -1.881 -3.399 368 HG3 LYS 48 2HG LYS 48 -1.036 -1.949 -2.432 369 HD2 LYS 48 1HD LYS 48 -0.729 -4.337 -3.410 370 HD3 LYS 48 2HD LYS 48 -1.955 -3.871 -4.585 371 HE2 LYS 48 1HE LYS 48 -0.455 -1.775 -4.987 372 HE3 LYS 48 2HE LYS 48 0.800 -2.721 -4.194 373 HZ1 LYS 48 3HZ LYS 48 0.219 -4.533 -5.821 374 HZ2 LYS 48 1HZ LYS 48 0.994 -3.169 -6.468 375 HZ3 LYS 48 2HZ LYS 48 -0.681 -3.368 -6.669 376 H ALA 49 H ALA 49 -2.200 -3.388 1.287 377 HA ALA 49 HA ALA 49 -4.216 -5.237 1.973 378 HB1 ALA 49 3HB ALA 49 -1.830 -5.276 2.760 379 HB2 ALA 49 1HB ALA 49 -3.020 -5.530 4.036 380 HB3 ALA 49 2HB ALA 49 -2.232 -3.961 3.863 381 H LEU 50 H LEU 50 -3.443 -2.040 3.330 382 HA LEU 50 HA LEU 50 -5.572 -1.957 5.186 383 HB2 LEU 50 1HB LEU 50 -3.767 0.023 3.883 384 HB3 LEU 50 2HB LEU 50 -5.181 0.660 4.712 385 HG LEU 50 HG LEU 50 -4.513 -0.512 6.773 386 HD11 LEU 50 1HD1 LEU 50 -2.222 -1.471 5.063 387 HD12 LEU 50 2HD1 LEU 50 -3.419 -2.455 5.894 388 HD13 LEU 50 3HD1 LEU 50 -2.216 -1.567 6.818 389 HD21 LEU 50 3HD2 LEU 50 -2.001 0.884 5.858 390 HD22 LEU 50 1HD2 LEU 50 -2.812 0.969 7.417 391 HD23 LEU 50 2HD2 LEU 50 -3.488 1.800 6.021 392 H TYR 51 H TYR 51 -5.364 -0.842 1.818 393 HA TYR 51 HA TYR 51 -7.898 0.375 1.699 394 HB2 TYR 51 1HB TYR 51 -6.448 0.834 -0.102 395 HB3 TYR 51 2HB TYR 51 -6.094 -0.871 -0.370 396 HD1 TYR 51 HD1 TYR 51 -8.694 1.753 -0.697 397 HD2 TYR 51 HD2 TYR 51 -7.548 -2.253 -1.731 398 HE1 TYR 51 HE1 TYR 51 -10.558 1.635 -2.338 399 HE2 TYR 51 HE2 TYR 51 -9.407 -2.366 -3.365 400 HH TYR 51 HH TYR 51 -10.832 -0.940 -4.622 401 H ASN 52 H ASN 52 -6.918 -2.959 0.830 402 HA ASN 52 HA ASN 52 -9.468 -3.861 0.098 403 HB2 ASN 52 1HB ASN 52 -7.412 -5.080 -0.438 404 HB3 ASN 52 2HB ASN 52 -7.156 -5.414 1.274 405 HD21 ASN 52 2HD2 ASN 52 -7.323 -7.756 0.797 406 HD22 ASN 52 1HD2 ASN 52 -8.841 -8.464 0.526 407 H LEU 53 H LEU 53 -7.952 -3.454 3.199 408 HA LEU 53 HA LEU 53 -9.879 -5.018 4.668 409 HB2 LEU 53 1HB LEU 53 -7.696 -3.102 5.495 410 HB3 LEU 53 2HB LEU 53 -8.784 -3.824 6.669 411 HG LEU 53 HG LEU 53 -7.208 -5.481 4.683 412 HD11 LEU 53 1HD1 LEU 53 -5.615 -5.931 6.555 413 HD12 LEU 53 2HD1 LEU 53 -6.414 -4.670 7.496 414 HD13 LEU 53 3HD1 LEU 53 -5.579 -4.259 5.999 415 HD21 LEU 53 3HD2 LEU 53 -7.621 -7.169 6.690 416 HD22 LEU 53 1HD2 LEU 53 -8.922 -6.843 5.558 417 HD23 LEU 53 2HD2 LEU 53 -8.899 -6.047 7.124 418 H GLU 54 H GLU 54 -10.298 -2.299 3.022 419 HA GLU 54 HA GLU 54 -12.125 -0.878 2.954 420 HB2 GLU 54 1HB GLU 54 -13.215 -2.751 4.454 421 HB3 GLU 54 2HB GLU 54 -12.914 -1.628 5.772 422 HG2 GLU 54 1HG GLU 54 -14.219 0.101 4.667 423 HG3 GLU 54 2HG GLU 54 -14.459 -0.936 3.264 424 H ARG 55 H ARG 55 -9.435 -0.397 4.144 425 HA ARG 55 HA ARG 55 -10.053 1.909 5.917 426 HB2 ARG 55 1HB ARG 55 -7.386 0.528 5.598 427 HB3 ARG 55 2HB ARG 55 -7.866 1.695 6.819 428 HG2 ARG 55 1HG ARG 55 -9.537 0.111 7.693 429 HG3 ARG 55 2HG ARG 55 -9.034 -1.075 6.489 430 HD2 ARG 55 1HD ARG 55 -6.738 -1.031 7.431 431 HD3 ARG 55 2HD ARG 55 -7.274 0.115 8.654 432 HE ARG 55 HE ARG 55 -7.825 -2.742 8.581 433 HH11 ARG 55 1HH2 ARG 55 -8.695 0.381 9.798 434 HH12 ARG 55 2HH2 ARG 55 -9.508 -0.240 11.197 435 HH21 ARG 55 1HH1 ARG 55 -8.889 -3.560 10.412 436 HH22 ARG 55 2HH1 ARG 55 -9.617 -2.469 11.543 437 H TYR 56 H TYR 56 -10.639 2.812 3.664 438 HA TYR 56 HA TYR 56 -8.688 3.426 1.751 439 HB2 TYR 56 1HB TYR 56 -10.979 5.269 2.461 440 HB3 TYR 56 2HB TYR 56 -10.240 4.999 0.882 441 HD1 TYR 56 HD1 TYR 56 -12.477 3.592 3.458 442 HD2 TYR 56 HD2 TYR 56 -10.768 3.020 -0.437 443 HE1 TYR 56 HE1 TYR 56 -14.107 1.781 3.006 444 HE2 TYR 56 HE2 TYR 56 -12.398 1.205 -0.888 445 HH TYR 56 HH TYR 56 -15.129 0.769 0.664 446 H GLU 57 H GLU 57 -9.663 5.126 4.702 447 HA GLU 57 HA GLU 57 -8.067 7.429 4.302 448 HB2 GLU 57 1HB GLU 57 -9.966 7.196 5.932 449 HB3 GLU 57 2HB GLU 57 -8.903 6.227 6.949 450 HG2 GLU 57 1HG GLU 57 -8.766 8.467 7.778 451 HG3 GLU 57 2HG GLU 57 -7.268 8.180 6.902 452 H GLU 58 H GLU 58 -7.511 4.490 6.234 453 HA GLU 58 HA GLU 58 -4.889 5.231 7.045 454 HB2 GLU 58 1HB GLU 58 -6.540 3.339 7.913 455 HB3 GLU 58 2HB GLU 58 -5.645 2.337 6.779 456 HG2 GLU 58 1HG GLU 58 -4.459 2.136 8.838 457 HG3 GLU 58 2HG GLU 58 -3.508 3.261 7.871 458 H ALA 59 H ALA 59 -6.119 3.304 4.341 459 HA ALA 59 HA ALA 59 -3.725 2.289 3.355 460 HB1 ALA 59 3HB ALA 59 -4.880 2.277 1.140 461 HB2 ALA 59 1HB ALA 59 -6.188 3.212 1.866 462 HB3 ALA 59 2HB ALA 59 -5.843 1.580 2.443 463 H VAL 60 H VAL 60 -5.151 5.487 2.947 464 HA VAL 60 HA VAL 60 -3.352 6.448 0.998 465 HB VAL 60 HB VAL 60 -5.075 7.802 3.058 466 HG11 VAL 60 1HG1 VAL 60 -4.506 9.943 1.728 467 HG12 VAL 60 2HG1 VAL 60 -3.089 9.064 1.156 468 HG13 VAL 60 3HG1 VAL 60 -3.301 9.371 2.877 469 HG21 VAL 60 3HG2 VAL 60 -6.055 6.716 0.996 470 HG22 VAL 60 1HG2 VAL 60 -5.148 7.885 0.030 471 HG23 VAL 60 2HG2 VAL 60 -6.396 8.438 1.150 472 H ASP 61 H ASP 61 -3.079 6.095 4.475 473 HA ASP 61 HA ASP 61 -0.928 7.828 4.933 474 HB2 ASP 61 1HB ASP 61 -1.445 5.196 6.334 475 HB3 ASP 61 2HB ASP 61 -0.542 6.566 6.963 476 H CYS 62 H CYS 62 -1.022 4.499 3.751 477 HA CYS 62 HA CYS 62 1.778 4.031 3.889 478 HB2 CYS 62 1HB CYS 62 -0.301 2.804 2.061 479 HB3 CYS 62 2HB CYS 62 1.332 2.184 2.313 480 HG CYS 62 HG CYS 62 -0.187 2.489 4.937 481 H TYR 63 H TYR 63 -0.329 4.989 1.161 482 HA TYR 63 HA TYR 63 1.773 5.323 -0.696 483 HB2 TYR 63 1HB TYR 63 -0.901 6.733 -0.639 484 HB3 TYR 63 2HB TYR 63 0.150 6.562 -2.040 485 HD1 TYR 63 HD2 TYR 63 1.022 3.796 -2.045 486 HD2 TYR 63 HD1 TYR 63 -2.819 5.381 -0.952 487 HE1 TYR 63 HE2 TYR 63 -0.021 1.628 -2.564 488 HE2 TYR 63 HE1 TYR 63 -3.859 3.210 -1.474 489 HH TYR 63 HH TYR 63 -2.401 0.460 -1.625 490 H ASN 64 H ASN 64 0.172 7.623 1.487 491 HA ASN 64 HA ASN 64 1.506 9.926 0.598 492 HB2 ASN 64 1HB ASN 64 -0.445 9.979 2.091 493 HB3 ASN 64 2HB ASN 64 0.519 9.269 3.384 494 HD21 ASN 64 2HD2 ASN 64 0.227 11.230 4.709 495 HD22 ASN 64 1HD2 ASN 64 1.074 12.654 4.338 496 H TYR 65 H TYR 65 2.389 7.508 3.029 497 HA TYR 65 HA TYR 65 4.682 8.783 4.035 498 HB2 TYR 65 1HB TYR 65 3.688 6.814 5.098 499 HB3 TYR 65 2HB TYR 65 4.128 5.828 3.707 500 HD1 TYR 65 HD2 TYR 65 6.529 5.417 3.157 501 HD2 TYR 65 HD1 TYR 65 5.326 7.427 6.760 502 HE1 TYR 65 HE2 TYR 65 8.779 5.031 4.125 503 HE2 TYR 65 HE1 TYR 65 7.577 7.042 7.727 504 HH TYR 65 HH TYR 65 9.996 5.094 6.026 505 H VAL 66 H VAL 66 4.236 6.634 1.246 506 HA VAL 66 HA VAL 66 7.013 6.485 0.575 507 HB VAL 66 HB VAL 66 4.525 6.011 -1.077 508 HG11 VAL 66 1HG1 VAL 66 6.189 4.692 -2.530 509 HG12 VAL 66 2HG1 VAL 66 7.461 5.594 -1.704 510 HG13 VAL 66 3HG1 VAL 66 6.256 6.450 -2.667 511 HG21 VAL 66 3HG2 VAL 66 4.879 4.496 0.857 512 HG22 VAL 66 1HG2 VAL 66 6.494 4.124 0.247 513 HG23 VAL 66 2HG2 VAL 66 5.069 3.649 -0.681 514 H ILE 67 H ILE 67 4.337 8.503 -0.623 515 HA ILE 67 HA ILE 67 5.879 9.906 -2.540 516 HB ILE 67 HB ILE 67 3.282 10.601 -1.159 517 HG12 ILE 67 1HG1 ILE 67 3.773 9.747 -4.030 518 HG13 ILE 67 2HG1 ILE 67 3.431 8.591 -2.742 519 HG21 ILE 67 1HG2 ILE 67 4.219 12.699 -1.886 520 HG22 ILE 67 2HG2 ILE 67 3.004 12.237 -3.071 521 HG23 ILE 67 3HG2 ILE 67 4.714 12.010 -3.432 522 HD11 ILE 67 3HD1 ILE 67 1.355 9.172 -3.886 523 HD12 ILE 67 1HD1 ILE 67 1.648 10.888 -3.600 524 HD13 ILE 67 2HD1 ILE 67 1.321 9.810 -2.243 525 H ASN 68 H ASN 68 5.119 10.522 0.855 526 HA ASN 68 HA ASN 68 6.378 13.099 0.919 527 HB2 ASN 68 1HB ASN 68 4.558 12.301 2.471 528 HB3 ASN 68 2HB ASN 68 5.762 11.280 3.258 529 HD21 ASN 68 2HD2 ASN 68 5.611 12.543 5.258 530 HD22 ASN 68 1HD2 ASN 68 6.283 14.098 5.360 531 H VAL 69 H VAL 69 7.240 10.080 2.601 532 HA VAL 69 HA VAL 69 9.820 10.849 3.344 533 HB VAL 69 HB VAL 69 8.818 8.080 2.665 534 HG11 VAL 69 1HG1 VAL 69 11.302 9.042 4.072 535 HG12 VAL 69 2HG1 VAL 69 11.178 7.950 2.694 536 HG13 VAL 69 3HG1 VAL 69 10.663 7.414 4.290 537 HG21 VAL 69 3HG2 VAL 69 7.566 8.316 4.567 538 HG22 VAL 69 1HG2 VAL 69 8.218 9.913 4.860 539 HG23 VAL 69 2HG2 VAL 69 9.040 8.498 5.491 540 H ILE 70 H ILE 70 8.758 9.114 0.427 541 HA ILE 70 HA ILE 70 11.418 9.637 -0.803 542 HB ILE 70 HB ILE 70 9.405 7.533 -1.645 543 HG12 ILE 70 1HG1 ILE 70 11.905 7.196 0.043 544 HG13 ILE 70 2HG1 ILE 70 10.258 7.128 0.671 545 HG21 ILE 70 1HG2 ILE 70 12.359 7.768 -2.223 546 HG22 ILE 70 2HG2 ILE 70 11.114 8.382 -3.299 547 HG23 ILE 70 3HG2 ILE 70 11.202 6.660 -2.957 548 HD11 ILE 70 3HD1 ILE 70 9.761 5.248 -0.873 549 HD12 ILE 70 1HD1 ILE 70 11.061 4.857 0.254 550 HD13 ILE 70 2HD1 ILE 70 11.438 5.273 -1.418 551 H GLU 71 H GLU 71 11.477 11.008 -2.441 552 HA GLU 71 HA GLU 71 9.081 12.293 -3.415 553 HB2 GLU 71 1HB GLU 71 11.991 12.555 -4.218 554 HB3 GLU 71 2HB GLU 71 10.688 13.563 -4.843 555 HG2 GLU 71 1HG GLU 71 10.189 14.401 -2.606 556 HG3 GLU 71 2HG GLU 71 11.378 13.313 -1.895 557 H ASP 72 H ASP 72 9.794 9.345 -3.998 558 HA ASP 72 HA ASP 72 10.098 9.225 -6.871 559 HB2 ASP 72 1HB ASP 72 9.542 7.163 -4.733 560 HB3 ASP 72 2HB ASP 72 9.551 6.749 -6.445 561 H GLU 73 H GLU 73 7.930 10.852 -6.155 562 HA GLU 73 HA GLU 73 5.410 9.626 -6.152 563 HB2 GLU 73 1HB GLU 73 4.582 11.823 -6.982 564 HB3 GLU 73 2HB GLU 73 5.708 11.999 -5.639 565 HG2 GLU 73 1HG GLU 73 7.540 12.446 -7.239 566 HG3 GLU 73 2HG GLU 73 6.397 12.306 -8.574 567 H TYR 74 H TYR 74 7.719 10.083 -8.700 568 HA TYR 74 HA TYR 74 6.105 10.009 -10.976 569 HB2 TYR 74 1HB TYR 74 8.814 8.742 -10.500 570 HB3 TYR 74 2HB TYR 74 8.064 8.942 -12.085 571 HD1 TYR 74 HD1 TYR 74 7.678 11.186 -13.033 572 HD2 TYR 74 HD2 TYR 74 9.706 10.657 -9.284 573 HE1 TYR 74 HE1 TYR 74 8.496 13.522 -13.147 574 HE2 TYR 74 HE2 TYR 74 10.526 12.995 -9.399 575 HH TYR 74 HH TYR 74 10.881 14.744 -10.918 576 H ASN 75 H ASN 75 6.959 7.488 -8.723 577 HA ASN 75 HA ASN 75 6.501 5.168 -10.117 578 HB2 ASN 75 1HB ASN 75 5.728 5.880 -7.278 579 HB3 ASN 75 2HB ASN 75 5.609 4.249 -7.922 580 HD21 ASN 75 2HD2 ASN 75 7.314 4.774 -5.743 581 HD22 ASN 75 1HD2 ASN 75 8.929 4.624 -6.245 582 H LYS 76 H LYS 76 4.952 4.894 -11.585 583 HA LYS 76 HA LYS 76 2.377 6.053 -11.513 584 HB2 LYS 76 1HB LYS 76 1.887 4.532 -13.389 585 HB3 LYS 76 2HB LYS 76 3.407 5.396 -13.606 586 HG2 LYS 76 1HG LYS 76 4.616 3.399 -12.691 587 HG3 LYS 76 2HG LYS 76 3.079 2.537 -12.640 588 HD2 LYS 76 1HD LYS 76 2.824 2.874 -15.077 589 HD3 LYS 76 2HD LYS 76 4.382 3.695 -15.120 590 HE2 LYS 76 1HE LYS 76 4.703 1.368 -15.782 591 HE3 LYS 76 2HE LYS 76 5.449 1.620 -14.204 592 HZ1 LYS 76 3HZ LYS 76 4.178 0.001 -13.431 593 HZ2 LYS 76 1HZ LYS 76 3.367 -0.148 -14.913 594 HZ3 LYS 76 2HZ LYS 76 2.801 0.947 -13.742 595 H ASP 77 H ASP 77 3.664 2.987 -10.401 596 HA ASP 77 HA ASP 77 1.246 1.605 -10.015 597 HB2 ASP 77 1HB ASP 77 3.580 0.656 -9.896 598 HB3 ASP 77 2HB ASP 77 3.723 1.372 -8.297 599 H VAL 78 H VAL 78 3.071 3.756 -7.864 600 HA VAL 78 HA VAL 78 1.374 3.460 -5.611 601 HB VAL 78 HB VAL 78 3.236 5.714 -6.395 602 HG11 VAL 78 1HG1 VAL 78 1.687 5.200 -3.851 603 HG12 VAL 78 2HG1 VAL 78 1.700 6.666 -4.830 604 HG13 VAL 78 3HG1 VAL 78 3.123 6.221 -3.892 605 HG21 VAL 78 3HG2 VAL 78 4.824 4.677 -4.933 606 HG22 VAL 78 1HG2 VAL 78 4.181 3.370 -5.925 607 HG23 VAL 78 2HG2 VAL 78 3.617 3.582 -4.270 608 H TRP 79 H TRP 79 1.431 5.857 -8.238 609 HA TRP 79 HA TRP 79 -0.718 7.418 -7.247 610 HB2 TRP 79 1HB TRP 79 0.613 7.097 -9.928 611 HB3 TRP 79 2HB TRP 79 -0.869 8.038 -9.814 612 HD1 TRP 79 HD1 TRP 79 2.722 8.482 -9.629 613 HE1 TRP 79 HE1 TRP 79 3.338 10.681 -8.424 614 HE3 TRP 79 HE3 TRP 79 -1.766 9.581 -7.475 615 HZ2 TRP 79 HZ2 TRP 79 2.079 12.646 -6.761 616 HZ3 TRP 79 HZ3 TRP 79 -2.037 11.614 -6.088 617 HH2 TRP 79 HH2 TRP 79 -0.122 13.149 -5.727 618 H ALA 80 H ALA 80 -0.639 4.813 -9.704 619 HA ALA 80 HA ALA 80 -3.371 4.798 -10.294 620 HB1 ALA 80 3HB ALA 80 -1.625 3.586 -11.577 621 HB2 ALA 80 1HB ALA 80 -2.993 2.556 -11.155 622 HB3 ALA 80 2HB ALA 80 -1.485 2.431 -10.251 623 H ALA 81 H ALA 81 -1.552 2.926 -7.870 624 HA ALA 81 HA ALA 81 -3.755 1.477 -6.862 625 HB1 ALA 81 3HB ALA 81 -1.365 0.920 -6.432 626 HB2 ALA 81 1HB ALA 81 -2.337 0.972 -4.962 627 HB3 ALA 81 2HB ALA 81 -1.265 2.315 -5.360 628 H LYS 82 H LYS 82 -2.257 4.515 -5.779 629 HA LYS 82 HA LYS 82 -3.898 4.961 -3.546 630 HB2 LYS 82 1HB LYS 82 -1.797 6.192 -4.040 631 HB3 LYS 82 2HB LYS 82 -2.622 7.035 -5.347 632 HG2 LYS 82 1HG LYS 82 -4.193 8.035 -3.767 633 HG3 LYS 82 2HG LYS 82 -3.495 7.113 -2.438 634 HD2 LYS 82 1HD LYS 82 -1.321 8.267 -2.808 635 HD3 LYS 82 2HD LYS 82 -2.064 9.208 -4.095 636 HE2 LYS 82 1HE LYS 82 -3.651 10.187 -2.509 637 HE3 LYS 82 2HE LYS 82 -2.979 9.211 -1.208 638 HZ1 LYS 82 3HZ LYS 82 -1.897 11.574 -2.511 639 HZ2 LYS 82 1HZ LYS 82 -0.777 10.365 -2.112 640 HZ3 LYS 82 2HZ LYS 82 -1.747 11.055 -0.901 641 H ALA 83 H ALA 83 -4.371 5.694 -6.966 642 HA ALA 83 HA ALA 83 -6.589 7.387 -6.778 643 HB1 ALA 83 3HB ALA 83 -7.065 6.777 -9.063 644 HB2 ALA 83 1HB ALA 83 -6.136 5.285 -8.906 645 HB3 ALA 83 2HB ALA 83 -5.313 6.844 -8.869 646 H ASP 84 H ASP 84 -6.500 3.838 -7.081 647 HA ASP 84 HA ASP 84 -9.219 3.304 -7.083 648 HB2 ASP 84 1HB ASP 84 -6.961 1.746 -5.806 649 HB3 ASP 84 2HB ASP 84 -8.599 1.122 -5.995 650 H ALA 85 H ALA 85 -7.085 3.912 -4.306 651 HA ALA 85 HA ALA 85 -9.039 3.426 -2.310 652 HB1 ALA 85 3HB ALA 85 -7.475 4.414 -0.783 653 HB2 ALA 85 1HB ALA 85 -6.638 5.245 -2.094 654 HB3 ALA 85 2HB ALA 85 -6.544 3.489 -1.960 655 H LEU 86 H LEU 86 -8.024 6.318 -4.057 656 HA LEU 86 HA LEU 86 -9.613 8.149 -2.557 657 HB2 LEU 86 1HB LEU 86 -8.383 8.326 -5.312 658 HB3 LEU 86 2HB LEU 86 -9.164 9.677 -4.498 659 HG LEU 86 HG LEU 86 -6.848 8.120 -3.320 660 HD11 LEU 86 1HD1 LEU 86 -6.875 10.684 -4.916 661 HD12 LEU 86 2HD1 LEU 86 -6.043 9.185 -5.317 662 HD13 LEU 86 3HD1 LEU 86 -5.503 10.154 -3.951 663 HD21 LEU 86 3HD2 LEU 86 -7.881 9.236 -1.507 664 HD22 LEU 86 1HD2 LEU 86 -8.368 10.609 -2.501 665 HD23 LEU 86 2HD2 LEU 86 -6.687 10.413 -2.025 666 H ARG 87 H ARG 87 -10.176 6.129 -5.358 667 HA ARG 87 HA ARG 87 -12.480 7.350 -6.369 668 HB2 ARG 87 1HB ARG 87 -11.595 4.468 -6.325 669 HB3 ARG 87 2HB ARG 87 -13.033 5.002 -7.180 670 HG2 ARG 87 1HG ARG 87 -10.580 6.616 -7.749 671 HG3 ARG 87 2HG ARG 87 -10.514 4.950 -8.312 672 HD2 ARG 87 1HD ARG 87 -11.440 6.426 -10.042 673 HD3 ARG 87 2HD ARG 87 -12.640 5.250 -9.505 674 HE ARG 87 HE ARG 87 -12.729 7.797 -8.103 675 HH11 ARG 87 1HH2 ARG 87 -13.796 5.896 -10.783 676 HH12 ARG 87 2HH2 ARG 87 -15.247 6.809 -11.033 677 HH21 ARG 87 1HH1 ARG 87 -14.629 9.002 -8.419 678 HH22 ARG 87 2HH1 ARG 87 -15.719 8.569 -9.695 679 H TYR 88 H TYR 88 -12.075 5.057 -3.754 680 HA TYR 88 HA TYR 88 -14.967 5.305 -3.087 681 HB2 TYR 88 1HB TYR 88 -13.003 3.116 -2.363 682 HB3 TYR 88 2HB TYR 88 -14.696 3.180 -1.874 683 HD1 TYR 88 HD2 TYR 88 -16.491 3.272 -3.677 684 HD2 TYR 88 HD1 TYR 88 -12.403 2.261 -4.524 685 HE1 TYR 88 HE2 TYR 88 -17.189 2.254 -5.825 686 HE2 TYR 88 HE1 TYR 88 -13.104 1.242 -6.673 687 HH TYR 88 HH TYR 88 -15.377 1.736 -8.287 688 H ILE 89 H ILE 89 -14.317 7.388 -2.120 689 HA ILE 89 HA ILE 89 -13.387 7.037 0.671 690 HB ILE 89 HB ILE 89 -11.643 8.134 -0.743 691 HG12 ILE 89 1HG1 ILE 89 -12.783 10.186 1.168 692 HG13 ILE 89 2HG1 ILE 89 -12.170 8.653 1.783 693 HG21 ILE 89 1HG2 ILE 89 -12.005 10.308 -1.688 694 HG22 ILE 89 2HG2 ILE 89 -13.598 10.438 -0.946 695 HG23 ILE 89 3HG2 ILE 89 -13.325 9.286 -2.252 696 HD11 ILE 89 3HD1 ILE 89 -9.987 9.066 0.901 697 HD12 ILE 89 1HD1 ILE 89 -10.486 10.534 1.743 698 HD13 ILE 89 2HD1 ILE 89 -10.552 10.464 -0.019 699 H GLU 90 H GLU 90 -14.065 8.915 2.060 700 HA GLU 90 HA GLU 90 -16.775 9.121 2.300 701 HB2 GLU 90 1HB GLU 90 -14.678 11.178 3.036 702 HB3 GLU 90 2HB GLU 90 -16.352 11.238 3.585 703 HG2 GLU 90 1HG GLU 90 -14.542 8.856 4.037 704 HG3 GLU 90 2HG GLU 90 -14.740 10.150 5.215 705 H GLY 91 H GLY 91 -14.692 11.488 0.625 706 HA2 GLY 91 1HA GLY 91 -16.967 12.206 -1.120 707 HA3 GLY 91 2HA GLY 91 -16.129 13.483 -0.243 708 H LYS 92 H LYS 92 -16.260 11.823 -3.110 709 HA LYS 92 HA LYS 92 -13.457 11.824 -3.774 710 HB2 LYS 92 1HB LYS 92 -14.239 11.281 -6.046 711 HB3 LYS 92 2HB LYS 92 -14.941 10.221 -4.831 712 HG2 LYS 92 1HG LYS 92 -16.994 11.686 -4.816 713 HG3 LYS 92 2HG LYS 92 -16.300 12.601 -6.146 714 HD2 LYS 92 1HD LYS 92 -16.241 10.561 -7.538 715 HD3 LYS 92 2HD LYS 92 -16.956 9.639 -6.214 716 HE2 LYS 92 1HE LYS 92 -18.249 12.074 -7.476 717 HE3 LYS 92 2HE LYS 92 -18.644 10.408 -7.903 718 HZ1 LYS 92 3HZ LYS 92 -20.190 10.906 -6.287 719 HZ2 LYS 92 1HZ LYS 92 -19.105 11.830 -5.366 720 HZ3 LYS 92 2HZ LYS 92 -18.977 10.136 -5.383 721 H GLU 93 H GLU 93 -16.238 13.897 -4.475 722 HA GLU 93 HA GLU 93 -16.397 15.992 -5.442 723 HB2 GLU 93 1HB GLU 93 -15.333 16.516 -3.268 724 HB3 GLU 93 2HB GLU 93 -13.749 16.349 -4.014 725 HG2 GLU 93 1HG GLU 93 -14.214 18.182 -5.540 726 HG3 GLU 93 2HG GLU 93 -15.875 18.285 -4.968 727 H VAL 94 H VAL 94 -12.926 16.202 -5.504 728 HA VAL 94 HA VAL 94 -12.891 15.740 -8.425 729 HB VAL 94 HB VAL 94 -11.880 18.183 -6.949 730 HG11 VAL 94 1HG1 VAL 94 -11.016 18.774 -9.332 731 HG12 VAL 94 2HG1 VAL 94 -11.116 17.041 -9.646 732 HG13 VAL 94 3HG1 VAL 94 -10.061 17.649 -8.370 733 HG21 VAL 94 3HG2 VAL 94 -13.545 17.991 -9.477 734 HG22 VAL 94 1HG2 VAL 94 -13.324 19.388 -8.427 735 HG23 VAL 94 2HG2 VAL 94 -14.283 18.016 -7.882 736 H GLU 95 H GLU 95 -11.536 15.245 -5.361 737 HA GLU 95 HA GLU 95 -8.796 15.036 -5.906 738 HB2 GLU 95 1HB GLU 95 -9.903 14.915 -3.640 739 HB3 GLU 95 2HB GLU 95 -10.359 13.254 -4.018 740 HG2 GLU 95 1HG GLU 95 -8.001 12.647 -4.290 741 HG3 GLU 95 2HG GLU 95 -7.517 14.314 -3.994 742 H ALA 96 H ALA 96 -11.295 12.476 -5.999 743 HA ALA 96 HA ALA 96 -9.637 10.414 -6.922 744 HB1 ALA 96 3HB ALA 96 -11.651 9.260 -7.512 745 HB2 ALA 96 1HB ALA 96 -12.555 10.768 -7.623 746 HB3 ALA 96 2HB ALA 96 -11.995 10.188 -6.053 747 H GLU 97 H GLU 97 -11.441 12.901 -8.693 748 HA GLU 97 HA GLU 97 -11.064 11.868 -11.286 749 HB2 GLU 97 1HB GLU 97 -12.624 13.722 -10.712 750 HB3 GLU 97 2HB GLU 97 -11.243 14.780 -10.465 751 HG2 GLU 97 1HG GLU 97 -10.572 14.517 -12.798 752 HG3 GLU 97 2HG GLU 97 -11.871 13.358 -13.071 753 H ILE 98 H ILE 98 -9.163 14.330 -9.527 754 HA ILE 98 HA ILE 98 -7.187 14.705 -11.484 755 HB ILE 98 HB ILE 98 -7.087 14.990 -8.475 756 HG12 ILE 98 1HG1 ILE 98 -7.166 17.131 -10.619 757 HG13 ILE 98 2HG1 ILE 98 -8.620 16.480 -9.865 758 HG21 ILE 98 1HG2 ILE 98 -5.009 15.664 -10.567 759 HG22 ILE 98 2HG2 ILE 98 -4.804 14.745 -9.079 760 HG23 ILE 98 3HG2 ILE 98 -5.052 16.483 -9.007 761 HD11 ILE 98 3HD1 ILE 98 -6.319 17.756 -8.355 762 HD12 ILE 98 1HD1 ILE 98 -7.836 17.188 -7.661 763 HD13 ILE 98 2HD1 ILE 98 -7.830 18.568 -8.758 764 H ALA 99 H ALA 99 -7.401 12.361 -8.815 765 HA ALA 99 HA ALA 99 -4.819 11.287 -9.091 766 HB1 ALA 99 3HB ALA 99 -7.380 10.010 -8.113 767 HB2 ALA 99 1HB ALA 99 -6.165 10.834 -7.138 768 HB3 ALA 99 2HB ALA 99 -5.774 9.308 -7.925 769 H GLU 100 H GLU 100 -7.922 10.099 -10.382 770 HA GLU 100 HA GLU 100 -6.928 7.937 -11.832 771 HB2 GLU 100 1HB GLU 100 -9.359 8.528 -11.434 772 HB3 GLU 100 2HB GLU 100 -9.208 9.711 -12.730 773 HG2 GLU 100 1HG GLU 100 -10.074 7.708 -13.733 774 HG3 GLU 100 2HG GLU 100 -8.387 7.825 -14.221 775 H ALA 101 H ALA 101 -7.281 11.336 -12.820 776 HA ALA 101 HA ALA 101 -6.369 10.940 -15.489 777 HB1 ALA 101 3HB ALA 101 -6.166 13.371 -15.569 778 HB2 ALA 101 1HB ALA 101 -6.304 13.458 -13.814 779 HB3 ALA 101 2HB ALA 101 -7.676 12.917 -14.779 780 H ARG 102 H ARG 102 -4.747 12.124 -12.548 781 HA ARG 102 HA ARG 102 -2.224 12.584 -13.662 782 HB2 ARG 102 1HB ARG 102 -3.043 11.789 -10.866 783 HB3 ARG 102 2HB ARG 102 -1.375 12.156 -11.285 784 HG2 ARG 102 1HG ARG 102 -3.549 14.125 -11.988 785 HG3 ARG 102 2HG ARG 102 -2.929 14.067 -10.344 786 HD2 ARG 102 1HD ARG 102 -1.251 14.493 -12.833 787 HD3 ARG 102 2HD ARG 102 -1.719 15.732 -11.681 788 HE ARG 102 HE ARG 102 -0.408 13.694 -10.262 789 HH11 ARG 102 1HH2 ARG 102 0.188 16.047 -12.729 790 HH12 ARG 102 2HH2 ARG 102 1.861 16.248 -12.328 791 HH21 ARG 102 1HH1 ARG 102 1.786 13.951 -9.731 792 HH22 ARG 102 2HH1 ARG 102 2.767 15.060 -10.631 793 H ALA 103 H ALA 103 -3.614 9.613 -12.315 794 HA ALA 103 HA ALA 103 -1.249 8.059 -12.481 795 HB1 ALA 103 3HB ALA 103 -2.786 6.130 -12.264 796 HB2 ALA 103 1HB ALA 103 -4.155 7.222 -12.479 797 HB3 ALA 103 2HB ALA 103 -3.107 7.389 -11.071 798 H LYS 104 H LYS 104 -3.874 8.704 -14.716 799 HA LYS 104 HA LYS 104 -2.798 6.859 -16.725 800 HB2 LYS 104 1HB LYS 104 -5.309 7.328 -16.183 801 HB3 LYS 104 2HB LYS 104 -5.099 8.767 -17.171 802 HG2 LYS 104 1HG LYS 104 -4.375 7.388 -19.070 803 HG3 LYS 104 2HG LYS 104 -4.475 5.937 -18.079 804 HD2 LYS 104 1HD LYS 104 -6.902 6.305 -17.785 805 HD3 LYS 104 2HD LYS 104 -6.799 7.744 -18.801 806 HE2 LYS 104 1HE LYS 104 -5.978 6.361 -20.678 807 HE3 LYS 104 2HE LYS 104 -6.105 4.920 -19.664 808 HZ1 LYS 104 3HZ LYS 104 -8.214 6.530 -20.881 809 HZ2 LYS 104 1HZ LYS 104 -8.531 5.869 -19.352 810 HZ3 LYS 104 2HZ LYS 104 -8.125 4.849 -20.649 811 H LEU 105 H LEU 105 -1.655 9.608 -15.728 812 HA LEU 105 HA LEU 105 -1.511 11.035 -18.286 813 HB2 LEU 105 1HB LEU 105 -1.707 12.071 -15.894 814 HB3 LEU 105 2HB LEU 105 0.029 11.814 -15.814 815 HG LEU 105 HG LEU 105 -1.475 13.437 -17.889 816 HD11 LEU 105 1HD1 LEU 105 0.425 14.180 -15.654 817 HD12 LEU 105 2HD1 LEU 105 -1.276 14.619 -15.803 818 HD13 LEU 105 3HD1 LEU 105 -0.091 15.297 -16.918 819 HD21 LEU 105 3HD2 LEU 105 1.444 12.628 -17.707 820 HD22 LEU 105 1HD2 LEU 105 0.939 14.073 -18.576 821 HD23 LEU 105 2HD2 LEU 105 0.363 12.497 -19.094 822 H GLU 106 H GLU 106 -0.118 10.324 -19.730 823 HA GLU 106 HA GLU 106 2.429 9.076 -18.879 824 HB2 GLU 106 1HB GLU 106 0.920 9.010 -21.502 825 HB3 GLU 106 2HB GLU 106 2.521 8.308 -21.263 826 HG2 GLU 106 1HG GLU 106 1.656 6.840 -19.513 827 HG3 GLU 106 2HG GLU 106 0.060 7.578 -19.651 828 H HIS 107 H HIS 107 4.359 9.625 -20.065 829 HA HIS 107 HA HIS 107 4.355 12.248 -21.412 830 HB2 HIS 107 1HB HIS 107 5.862 11.542 -18.895 831 HB3 HIS 107 2HB HIS 107 6.494 12.753 -20.006 832 HD1 HIS 107 HD1 HIS 107 4.712 12.703 -17.037 833 HD2 HIS 107 HD2 HIS 107 3.974 14.594 -20.678 834 HE1 HIS 107 HE1 HIS 107 3.121 14.607 -16.543 835 HE2 HIS 107 HE2 HIS 107 2.660 15.773 -18.751 836 H HIS 108 H HIS 108 4.726 9.405 -22.216 837 HA HIS 108 HA HIS 108 6.986 9.804 -23.928 838 HB2 HIS 108 1HB HIS 108 8.145 9.148 -21.826 839 HB3 HIS 108 2HB HIS 108 7.227 7.641 -21.820 840 HD1 HIS 108 HD1 HIS 108 7.705 5.949 -23.796 841 HD2 HIS 108 HD2 HIS 108 10.298 9.209 -23.636 842 HE1 HIS 108 HE1 HIS 108 9.663 5.382 -25.298 843 HE2 HIS 108 HE2 HIS 108 11.254 7.358 -25.212 844 H HIS 109 H HIS 109 6.463 8.827 -25.771 845 HA HIS 109 HA HIS 109 5.583 6.173 -26.044 846 HB2 HIS 109 1HB HIS 109 3.210 6.763 -26.888 847 HB3 HIS 109 2HB HIS 109 3.465 6.693 -25.146 848 HD1 HIS 109 HD1 HIS 109 1.663 8.441 -24.579 849 HD2 HIS 109 HD2 HIS 109 4.587 9.879 -27.179 850 HE1 HIS 109 HE1 HIS 109 1.335 10.949 -24.712 851 HE2 HIS 109 HE2 HIS 109 3.110 11.839 -26.295 852 H HIS 110 H HIS 110 6.852 8.907 -27.185 853 HA HIS 110 HA HIS 110 5.940 8.856 -29.924 854 HB2 HIS 110 1HB HIS 110 6.808 10.906 -28.779 855 HB3 HIS 110 2HB HIS 110 8.411 10.169 -28.769 856 HD1 HIS 110 HD1 HIS 110 9.797 10.543 -30.816 857 HD2 HIS 110 HD2 HIS 110 5.742 11.140 -31.574 858 HE1 HIS 110 HE1 HIS 110 9.629 11.373 -33.202 859 HE2 HIS 110 HE2 HIS 110 7.163 11.741 -33.680 860 H HIS 111 H HIS 111 6.709 6.302 -29.173 861 HA HIS 111 HA HIS 111 8.003 4.516 -29.830 862 HB2 HIS 111 1HB HIS 111 7.340 5.389 -32.062 863 HB3 HIS 111 2HB HIS 111 8.801 6.373 -32.081 864 HD1 HIS 111 HD1 HIS 111 11.109 5.076 -32.140 865 HD2 HIS 111 HD2 HIS 111 7.745 2.668 -32.657 866 HE1 HIS 111 HE1 HIS 111 11.946 2.858 -33.029 867 HE2 HIS 111 HE2 HIS 111 9.908 1.378 -33.350 868 H HIS 112 H HIS 112 10.254 3.762 -30.194 869 HA HIS 112 HA HIS 112 12.044 5.150 -28.411 870 HB2 HIS 112 1HB HIS 112 12.452 2.691 -30.131 871 HB3 HIS 112 2HB HIS 112 13.578 3.274 -28.907 872 HD1 HIS 112 HD1 HIS 112 12.636 3.332 -26.391 873 HD2 HIS 112 HD2 HIS 112 10.328 1.187 -29.120 874 HE1 HIS 112 HE1 HIS 112 11.066 1.891 -25.024 875 HE2 HIS 112 HE2 HIS 112 9.652 0.577 -26.672 Start of MODEL 4 1 H1 MET 1 1H MET 1 24.604 -16.245 3.702 2 H2 MET 1 2H MET 1 24.788 -17.389 4.946 3 H3 MET 1 3H MET 1 26.147 -16.835 4.091 4 HA MET 1 HA MET 1 24.997 -15.778 6.423 5 HB2 MET 1 1HB MET 1 27.303 -14.955 4.635 6 HB3 MET 1 2HB MET 1 26.994 -14.259 6.226 7 HG2 MET 1 1HG MET 1 27.169 -16.507 7.242 8 HG3 MET 1 2HG MET 1 27.501 -17.192 5.652 9 HE1 MET 1 3HE MET 1 30.870 -17.447 7.504 10 HE2 MET 1 1HE MET 1 30.019 -18.190 6.143 11 HE3 MET 1 2HE MET 1 29.196 -17.963 7.684 12 H VAL 2 H VAL 2 23.434 -15.379 3.869 13 HA VAL 2 HA VAL 2 23.461 -12.508 3.407 14 HB VAL 2 HB VAL 2 21.424 -13.054 1.985 15 HG11 VAL 2 1HG1 VAL 2 22.759 -14.226 0.259 16 HG12 VAL 2 2HG1 VAL 2 23.981 -14.600 1.472 17 HG13 VAL 2 3HG1 VAL 2 23.673 -12.925 1.019 18 HG21 VAL 2 3HG2 VAL 2 22.226 -15.909 2.650 19 HG22 VAL 2 1HG2 VAL 2 20.959 -15.409 1.533 20 HG23 VAL 2 2HG2 VAL 2 20.778 -15.110 3.259 21 H ASP 3 H ASP 3 22.140 -11.020 4.274 22 HA ASP 3 HA ASP 3 19.628 -11.572 5.467 23 HB2 ASP 3 1HB ASP 3 21.163 -12.557 7.205 24 HB3 ASP 3 2HB ASP 3 21.837 -10.948 7.439 25 H GLN 4 H GLN 4 21.780 -9.637 4.056 26 HA GLN 4 HA GLN 4 21.251 -7.109 5.333 27 HB2 GLN 4 1HB GLN 4 22.349 -7.692 2.569 28 HB3 GLN 4 2HB GLN 4 22.408 -6.139 3.403 29 HG2 GLN 4 1HG GLN 4 23.670 -8.693 4.437 30 HG3 GLN 4 2HG GLN 4 24.546 -7.420 3.591 31 HE21 GLN 4 2HE2 GLN 4 23.933 -8.518 6.660 32 HE22 GLN 4 1HE2 GLN 4 24.072 -7.058 7.515 33 H ASN 5 H ASN 5 19.177 -9.049 3.938 34 HA ASN 5 HA ASN 5 17.392 -6.905 3.235 35 HB2 ASN 5 1HB ASN 5 18.639 -7.044 1.145 36 HB3 ASN 5 2HB ASN 5 18.317 -8.772 1.043 37 HD21 ASN 5 2HD2 ASN 5 16.891 -5.572 0.640 38 HD22 ASN 5 1HD2 ASN 5 15.431 -6.107 -0.041 39 HA PRO 6 HA PRO 6 14.729 -10.239 4.582 40 HB2 PRO 6 1HB PRO 6 12.253 -9.100 4.124 41 HB3 PRO 6 2HB PRO 6 13.293 -8.636 5.483 42 HG2 PRO 6 1HG PRO 6 12.919 -7.265 2.850 43 HG3 PRO 6 2HG PRO 6 13.064 -6.561 4.473 44 HD2 PRO 6 1HD PRO 6 15.148 -6.629 2.697 45 HD3 PRO 6 2HD PRO 6 15.390 -6.668 4.458 46 H GLU 7 H GLU 7 15.680 -11.281 2.481 47 HA GLU 7 HA GLU 7 13.786 -11.427 0.251 48 HB2 GLU 7 1HB GLU 7 16.245 -11.365 -0.147 49 HB3 GLU 7 2HB GLU 7 16.390 -12.919 0.672 50 HG2 GLU 7 1HG GLU 7 14.940 -13.972 -0.987 51 HG3 GLU 7 2HG GLU 7 14.661 -12.417 -1.770 52 H GLU 8 H GLU 8 15.138 -13.566 2.747 53 HA GLU 8 HA GLU 8 13.837 -15.905 2.025 54 HB2 GLU 8 1HB GLU 8 14.062 -16.566 4.415 55 HB3 GLU 8 2HB GLU 8 15.560 -15.921 3.735 56 HG2 GLU 8 1HG GLU 8 15.016 -13.702 4.676 57 HG3 GLU 8 2HG GLU 8 13.558 -14.375 5.400 58 H TYR 9 H TYR 9 12.589 -13.062 3.596 59 HA TYR 9 HA TYR 9 10.301 -13.969 4.844 60 HB2 TYR 9 1HB TYR 9 10.826 -11.472 3.237 61 HB3 TYR 9 2HB TYR 9 9.292 -11.739 4.060 62 HD1 TYR 9 HD2 TYR 9 12.984 -11.749 4.622 63 HD2 TYR 9 HD1 TYR 9 9.105 -11.230 6.360 64 HE1 TYR 9 HE2 TYR 9 14.042 -11.000 6.734 65 HE2 TYR 9 HE1 TYR 9 10.156 -10.505 8.468 66 HH TYR 9 HH TYR 9 12.075 -9.796 9.420 67 H TYR 10 H TYR 10 11.066 -14.504 1.620 68 HA TYR 10 HA TYR 10 8.684 -14.261 0.177 69 HB2 TYR 10 1HB TYR 10 9.613 -16.168 -1.211 70 HB3 TYR 10 2HB TYR 10 10.690 -14.798 -0.982 71 HD1 TYR 10 HD2 TYR 10 10.190 -17.273 1.818 72 HD2 TYR 10 HD1 TYR 10 12.720 -16.101 -1.450 73 HE1 TYR 10 HE2 TYR 10 11.879 -18.748 2.657 74 HE2 TYR 10 HE1 TYR 10 14.470 -17.618 -0.527 75 HH TYR 10 HH TYR 10 15.007 -18.571 1.791 76 H LEU 11 H LEU 11 7.123 -14.857 2.016 77 HA LEU 11 HA LEU 11 6.490 -17.759 1.944 78 HB2 LEU 11 1HB LEU 11 5.938 -17.718 4.297 79 HB3 LEU 11 2HB LEU 11 7.584 -17.169 4.048 80 HG LEU 11 HG LEU 11 6.312 -14.743 3.985 81 HD11 LEU 11 1HD1 LEU 11 4.400 -14.610 5.259 82 HD12 LEU 11 2HD1 LEU 11 4.738 -16.089 6.150 83 HD13 LEU 11 3HD1 LEU 11 4.163 -16.165 4.494 84 HD21 LEU 11 3HD2 LEU 11 7.022 -16.084 6.605 85 HD22 LEU 11 1HD2 LEU 11 7.050 -14.368 6.217 86 HD23 LEU 11 2HD2 LEU 11 8.221 -15.445 5.479 87 H GLU 12 H GLU 12 5.430 -14.487 2.223 88 HA GLU 12 HA GLU 12 2.748 -14.834 2.599 89 HB2 GLU 12 1HB GLU 12 4.200 -12.786 0.889 90 HB3 GLU 12 2HB GLU 12 2.518 -12.665 1.387 91 HG2 GLU 12 1HG GLU 12 3.584 -11.374 3.033 92 HG3 GLU 12 2HG GLU 12 3.491 -12.939 3.826 93 H GLY 13 H GLY 13 4.540 -14.733 -0.433 94 HA2 GLY 13 1HA GLY 13 2.774 -14.885 -2.407 95 HA3 GLY 13 2HA GLY 13 4.118 -16.026 -2.348 96 H VAL 14 H VAL 14 3.564 -17.863 -0.538 97 HA VAL 14 HA VAL 14 1.452 -19.410 -1.604 98 HB VAL 14 HB VAL 14 2.915 -19.634 1.045 99 HG11 VAL 14 1HG1 VAL 14 2.180 -22.064 0.851 100 HG12 VAL 14 2HG1 VAL 14 1.047 -21.530 -0.392 101 HG13 VAL 14 3HG1 VAL 14 0.908 -20.914 1.255 102 HG21 VAL 14 3HG2 VAL 14 3.316 -21.009 -1.623 103 HG22 VAL 14 1HG2 VAL 14 4.230 -21.344 -0.151 104 HG23 VAL 14 2HG2 VAL 14 4.364 -19.769 -0.935 105 H LEU 15 H LEU 15 1.722 -17.773 1.554 106 HA LEU 15 HA LEU 15 -0.720 -18.329 2.653 107 HB2 LEU 15 1HB LEU 15 0.495 -15.554 2.695 108 HB3 LEU 15 2HB LEU 15 -0.610 -16.256 3.853 109 HG LEU 15 HG LEU 15 2.265 -17.025 3.393 110 HD11 LEU 15 1HD1 LEU 15 0.724 -15.910 5.751 111 HD12 LEU 15 2HD1 LEU 15 2.064 -15.158 4.888 112 HD13 LEU 15 3HD1 LEU 15 2.348 -16.576 5.900 113 HD21 LEU 15 3HD2 LEU 15 1.793 -18.709 5.292 114 HD22 LEU 15 1HD2 LEU 15 1.196 -19.137 3.694 115 HD23 LEU 15 2HD2 LEU 15 0.083 -18.492 4.896 116 H GLN 16 H GLN 16 -0.354 -15.158 1.096 117 HA GLN 16 HA GLN 16 -2.977 -14.539 0.744 118 HB2 GLN 16 1HB GLN 16 -1.030 -13.114 0.060 119 HB3 GLN 16 2HB GLN 16 -0.857 -14.130 -1.370 120 HG2 GLN 16 1HG GLN 16 -3.171 -13.537 -2.056 121 HG3 GLN 16 2HG GLN 16 -3.296 -12.480 -0.654 122 HE21 GLN 16 2HE2 GLN 16 -2.892 -10.340 -1.173 123 HE22 GLN 16 1HE2 GLN 16 -1.844 -9.811 -2.399 124 H TYR 17 H TYR 17 -1.078 -16.157 -1.840 125 HA TYR 17 HA TYR 17 -3.065 -16.789 -3.611 126 HB2 TYR 17 1HB TYR 17 -0.588 -18.254 -2.731 127 HB3 TYR 17 2HB TYR 17 -1.672 -19.060 -3.857 128 HD1 TYR 17 HD1 TYR 17 -0.416 -15.526 -3.431 129 HD2 TYR 17 HD2 TYR 17 -0.933 -18.877 -6.082 130 HE1 TYR 17 HE1 TYR 17 0.530 -14.205 -5.292 131 HE2 TYR 17 HE2 TYR 17 0.011 -17.546 -7.934 132 HH TYR 17 HH TYR 17 0.292 -15.199 -8.539 133 H ASP 18 H ASP 18 -2.022 -19.100 -1.048 134 HA ASP 18 HA ASP 18 -4.307 -20.751 -1.373 135 HB2 ASP 18 1HB ASP 18 -2.286 -20.543 0.877 136 HB3 ASP 18 2HB ASP 18 -3.521 -21.796 0.764 137 H ALA 19 H ALA 19 -3.400 -19.272 1.692 138 HA ALA 19 HA ALA 19 -6.245 -18.577 2.195 139 HB1 ALA 19 3HB ALA 19 -5.740 -18.686 4.525 140 HB2 ALA 19 1HB ALA 19 -4.005 -18.755 4.214 141 HB3 ALA 19 2HB ALA 19 -5.036 -20.122 3.784 142 H GLY 20 H GLY 20 -6.849 -16.521 2.401 143 HA2 GLY 20 1HA GLY 20 -5.664 -14.305 1.483 144 HA3 GLY 20 2HA GLY 20 -6.706 -14.231 2.895 145 H ASN 21 H ASN 21 -5.576 -14.734 5.028 146 HA ASN 21 HA ASN 21 -4.024 -14.032 6.591 147 HB2 ASN 21 1HB ASN 21 -2.356 -15.118 4.357 148 HB3 ASN 21 2HB ASN 21 -1.626 -14.619 5.873 149 HD21 ASN 21 2HD2 ASN 21 -1.551 -17.377 4.957 150 HD22 ASN 21 1HD2 ASN 21 -2.489 -18.303 6.028 151 H TYR 22 H TYR 22 -5.018 -12.043 4.693 152 HA TYR 22 HA TYR 22 -2.943 -10.419 3.720 153 HB2 TYR 22 1HB TYR 22 -5.775 -9.763 4.594 154 HB3 TYR 22 2HB TYR 22 -4.715 -8.605 3.795 155 HD1 TYR 22 HD2 TYR 22 -4.033 -8.919 1.453 156 HD2 TYR 22 HD1 TYR 22 -6.711 -11.672 3.381 157 HE1 TYR 22 HE2 TYR 22 -4.661 -9.857 -0.754 158 HE2 TYR 22 HE1 TYR 22 -7.339 -12.607 1.172 159 HH TYR 22 HH TYR 22 -7.341 -11.952 -1.166 160 H THR 23 H THR 23 -4.830 -10.237 6.740 161 HA THR 23 HA THR 23 -3.397 -8.048 7.827 162 HB THR 23 HB THR 23 -4.857 -10.206 9.377 163 HG1 THR 23 HG1 THR 23 -5.961 -7.803 8.400 164 HG21 THR 23 3HG2 THR 23 -5.210 -8.441 11.009 165 HG22 THR 23 1HG2 THR 23 -4.466 -7.253 9.940 166 HG23 THR 23 2HG2 THR 23 -3.486 -8.529 10.656 167 H GLU 24 H GLU 24 -3.110 -11.571 8.309 168 HA GLU 24 HA GLU 24 -1.084 -11.557 10.227 169 HB2 GLU 24 1HB GLU 24 -2.383 -13.567 9.423 170 HB3 GLU 24 2HB GLU 24 -1.349 -13.581 7.997 171 HG2 GLU 24 1HG GLU 24 -0.382 -15.125 9.564 172 HG3 GLU 24 2HG GLU 24 0.647 -13.695 9.573 173 H SER 25 H SER 25 -0.893 -11.242 6.722 174 HA SER 25 HA SER 25 1.905 -11.552 6.467 175 HB2 SER 25 1HB SER 25 1.663 -10.632 4.278 176 HB3 SER 25 2HB SER 25 0.195 -11.546 4.598 177 HG SER 25 HG SER 25 0.617 -8.763 4.511 178 H ILE 26 H ILE 26 -0.058 -8.925 7.587 179 HA ILE 26 HA ILE 26 1.618 -6.728 7.097 180 HB ILE 26 HB ILE 26 -0.825 -6.888 8.169 181 HG12 ILE 26 1HG1 ILE 26 -0.254 -4.504 9.284 182 HG13 ILE 26 2HG1 ILE 26 1.294 -4.756 8.488 183 HG21 ILE 26 1HG2 ILE 26 -0.954 -6.632 10.538 184 HG22 ILE 26 2HG2 ILE 26 0.781 -6.377 10.685 185 HG23 ILE 26 3HG2 ILE 26 0.162 -7.971 10.297 186 HD11 ILE 26 3HD1 ILE 26 -0.356 -3.474 7.099 187 HD12 ILE 26 1HD1 ILE 26 -1.381 -4.907 7.072 188 HD13 ILE 26 2HD1 ILE 26 0.218 -4.951 6.327 189 H ASP 27 H ASP 27 1.688 -9.163 9.642 190 HA ASP 27 HA ASP 27 3.558 -7.860 11.308 191 HB2 ASP 27 1HB ASP 27 2.825 -10.773 10.950 192 HB3 ASP 27 2HB ASP 27 3.929 -10.198 12.196 193 H LEU 28 H LEU 28 3.827 -9.955 8.508 194 HA LEU 28 HA LEU 28 6.664 -10.354 8.773 195 HB2 LEU 28 1HB LEU 28 4.736 -10.773 6.483 196 HB3 LEU 28 2HB LEU 28 6.452 -11.135 6.361 197 HG LEU 28 HG LEU 28 5.111 -13.132 6.924 198 HD11 LEU 28 1HD1 LEU 28 6.593 -14.039 8.467 199 HD12 LEU 28 2HD1 LEU 28 6.741 -12.552 9.390 200 HD13 LEU 28 3HD1 LEU 28 7.522 -12.695 7.814 201 HD21 LEU 28 3HD2 LEU 28 3.419 -11.758 8.301 202 HD22 LEU 28 1HD2 LEU 28 4.559 -11.944 9.638 203 HD23 LEU 28 2HD2 LEU 28 3.847 -13.365 8.880 204 H PHE 29 H PHE 29 4.665 -8.241 6.714 205 HA PHE 29 HA PHE 29 6.813 -7.018 5.372 206 HB2 PHE 29 1HB PHE 29 4.027 -6.034 6.013 207 HB3 PHE 29 2HB PHE 29 5.163 -5.091 5.057 208 HD1 PHE 29 HD1 PHE 29 6.367 -6.453 3.098 209 HD2 PHE 29 HD2 PHE 29 2.575 -7.504 4.840 210 HE1 PHE 29 HE1 PHE 29 5.776 -7.724 1.050 211 HE2 PHE 29 HE2 PHE 29 1.992 -8.774 2.793 212 HZ PHE 29 HZ PHE 29 3.588 -8.884 0.900 213 H GLU 30 H GLU 30 5.156 -6.158 8.405 214 HA GLU 30 HA GLU 30 6.407 -3.717 8.897 215 HB2 GLU 30 1HB GLU 30 4.513 -4.760 10.211 216 HB3 GLU 30 2HB GLU 30 5.715 -5.766 11.010 217 HG2 GLU 30 1HG GLU 30 5.373 -3.869 12.436 218 HG3 GLU 30 2HG GLU 30 6.926 -3.615 11.650 219 H LYS 31 H LYS 31 7.544 -7.008 9.470 220 HA LYS 31 HA LYS 31 9.894 -6.237 10.929 221 HB2 LYS 31 1HB LYS 31 9.071 -8.775 9.543 222 HB3 LYS 31 2HB LYS 31 10.614 -8.628 10.377 223 HG2 LYS 31 1HG LYS 31 9.367 -7.979 12.451 224 HG3 LYS 31 2HG LYS 31 7.862 -8.282 11.604 225 HD2 LYS 31 1HD LYS 31 10.022 -10.375 11.901 226 HD3 LYS 31 2HD LYS 31 8.709 -10.194 13.051 227 HE2 LYS 31 1HE LYS 31 7.114 -10.485 11.099 228 HE3 LYS 31 2HE LYS 31 8.509 -10.951 10.132 229 HZ1 LYS 31 3HZ LYS 31 8.251 -12.270 12.698 230 HZ2 LYS 31 1HZ LYS 31 8.704 -12.901 11.192 231 HZ3 LYS 31 2HZ LYS 31 7.061 -12.663 11.552 232 H ALA 32 H ALA 32 9.229 -7.006 7.529 233 HA ALA 32 HA ALA 32 11.839 -7.058 6.558 234 HB1 ALA 32 3HB ALA 32 9.247 -6.147 5.304 235 HB2 ALA 32 1HB ALA 32 10.063 -7.693 5.097 236 HB3 ALA 32 2HB ALA 32 10.749 -6.228 4.390 237 H ILE 33 H ILE 33 9.664 -4.281 7.017 238 HA ILE 33 HA ILE 33 11.456 -2.316 6.027 239 HB ILE 33 HB ILE 33 9.226 -1.897 8.038 240 HG12 ILE 33 1HG1 ILE 33 9.128 -1.910 5.019 241 HG13 ILE 33 2HG1 ILE 33 8.516 -3.203 6.015 242 HG21 ILE 33 1HG2 ILE 33 10.878 0.002 7.504 243 HG22 ILE 33 2HG2 ILE 33 9.190 0.356 7.161 244 HG23 ILE 33 3HG2 ILE 33 10.283 -0.069 5.848 245 HD11 ILE 33 3HD1 ILE 33 6.810 -1.836 6.972 246 HD12 ILE 33 1HD1 ILE 33 6.749 -1.510 5.246 247 HD13 ILE 33 2HD1 ILE 33 7.513 -0.359 6.334 248 H GLN 34 H GLN 34 11.082 -3.895 9.118 249 HA GLN 34 HA GLN 34 12.518 -1.986 10.680 250 HB2 GLN 34 1HB GLN 34 10.954 -3.701 11.608 251 HB3 GLN 34 2HB GLN 34 12.138 -4.941 11.212 252 HG2 GLN 34 1HG GLN 34 13.790 -3.856 12.665 253 HG3 GLN 34 2HG GLN 34 12.626 -2.587 13.051 254 HE21 GLN 34 2HE2 GLN 34 13.679 -4.234 15.135 255 HE22 GLN 34 1HE2 GLN 34 12.433 -5.235 15.714 256 H LEU 35 H LEU 35 13.414 -4.790 8.754 257 HA LEU 35 HA LEU 35 16.084 -4.994 9.721 258 HB2 LEU 35 1HB LEU 35 14.557 -6.078 7.384 259 HB3 LEU 35 2HB LEU 35 16.309 -6.126 7.281 260 HG LEU 35 HG LEU 35 16.332 -7.304 9.519 261 HD11 LEU 35 1HD1 LEU 35 14.022 -6.514 10.188 262 HD12 LEU 35 2HD1 LEU 35 14.290 -8.239 10.396 263 HD13 LEU 35 3HD1 LEU 35 13.366 -7.654 9.016 264 HD21 LEU 35 3HD2 LEU 35 16.490 -8.504 7.350 265 HD22 LEU 35 1HD2 LEU 35 14.736 -8.668 7.338 266 HD23 LEU 35 2HD2 LEU 35 15.685 -9.466 8.588 267 H ASP 36 H ASP 36 14.696 -3.418 6.855 268 HA ASP 36 HA ASP 36 16.557 -1.292 6.938 269 HB2 ASP 36 1HB ASP 36 17.761 -1.896 4.783 270 HB3 ASP 36 2HB ASP 36 18.227 -2.819 6.207 271 HA PRO 37 HA PRO 37 13.043 -0.364 4.170 272 HB2 PRO 37 1HB PRO 37 12.765 2.263 4.697 273 HB3 PRO 37 2HB PRO 37 12.369 1.045 5.921 274 HG2 PRO 37 1HG PRO 37 14.837 2.720 5.675 275 HG3 PRO 37 2HG PRO 37 13.879 2.340 7.114 276 HD2 PRO 37 1HD PRO 37 16.209 0.986 6.382 277 HD3 PRO 37 2HD PRO 37 14.950 0.313 7.439 278 H GLU 38 H GLU 38 13.188 2.409 3.077 279 HA GLU 38 HA GLU 38 14.155 3.652 1.379 280 HB2 GLU 38 1HB GLU 38 16.379 2.873 2.564 281 HB3 GLU 38 2HB GLU 38 16.505 1.741 1.221 282 HG2 GLU 38 1HG GLU 38 16.362 3.609 -0.373 283 HG3 GLU 38 2HG GLU 38 16.248 4.745 0.970 284 H GLU 39 H GLU 39 12.373 1.391 1.010 285 HA GLU 39 HA GLU 39 12.824 0.949 -1.863 286 HB2 GLU 39 1HB GLU 39 13.012 -1.154 0.247 287 HB3 GLU 39 2HB GLU 39 12.044 -1.606 -1.154 288 HG2 GLU 39 1HG GLU 39 13.928 -1.052 -2.623 289 HG3 GLU 39 2HG GLU 39 14.880 -0.551 -1.228 290 H SER 40 H SER 40 11.036 2.288 -2.179 291 HA SER 40 HA SER 40 8.625 2.253 -0.916 292 HB2 SER 40 1HB SER 40 9.045 2.613 -3.869 293 HB3 SER 40 2HB SER 40 7.636 3.131 -2.948 294 HG SER 40 HG SER 40 9.111 4.384 -1.663 295 H LYS 41 H LYS 41 9.903 -0.043 -3.151 296 HA LYS 41 HA LYS 41 7.701 -1.342 -4.177 297 HB2 LYS 41 1HB LYS 41 10.134 -2.748 -3.039 298 HB3 LYS 41 2HB LYS 41 9.030 -3.393 -4.248 299 HG2 LYS 41 1HG LYS 41 10.529 -2.548 -5.797 300 HG3 LYS 41 2HG LYS 41 9.799 -0.989 -5.436 301 HD2 LYS 41 1HD LYS 41 11.519 -0.678 -3.624 302 HD3 LYS 41 2HD LYS 41 12.290 -2.165 -4.169 303 HE2 LYS 41 1HE LYS 41 11.796 0.263 -5.916 304 HE3 LYS 41 2HE LYS 41 13.342 -0.142 -5.170 305 HZ1 LYS 41 3HZ LYS 41 12.708 -2.444 -6.373 306 HZ2 LYS 41 1HZ LYS 41 13.676 -1.242 -7.077 307 HZ3 LYS 41 2HZ LYS 41 12.022 -1.329 -7.456 308 H TYR 42 H TYR 42 9.074 -1.715 -0.919 309 HA TYR 42 HA TYR 42 7.189 -3.779 -0.169 310 HB2 TYR 42 1HB TYR 42 8.258 -3.787 1.953 311 HB3 TYR 42 2HB TYR 42 9.540 -3.435 0.812 312 HD1 TYR 42 HD2 TYR 42 7.050 -1.632 2.996 313 HD2 TYR 42 HD1 TYR 42 10.968 -1.601 1.266 314 HE1 TYR 42 HE2 TYR 42 7.536 0.471 4.157 315 HE2 TYR 42 HE1 TYR 42 11.469 0.513 2.457 316 HH TYR 42 HH TYR 42 10.146 2.438 3.417 317 H TRP 43 H TRP 43 7.433 -0.305 0.089 318 HA TRP 43 HA TRP 43 5.333 -0.007 2.011 319 HB2 TRP 43 1HB TRP 43 7.158 1.723 0.561 320 HB3 TRP 43 2HB TRP 43 5.563 2.418 0.539 321 HD1 TRP 43 HD1 TRP 43 8.479 2.927 2.376 322 HE1 TRP 43 HE1 TRP 43 8.062 3.457 4.867 323 HE3 TRP 43 HE3 TRP 43 3.649 1.459 2.750 324 HZ2 TRP 43 HZ2 TRP 43 5.909 3.280 6.767 325 HZ3 TRP 43 HZ3 TRP 43 2.422 1.619 4.893 326 HH2 TRP 43 HH2 TRP 43 3.542 2.543 6.902 327 H LEU 44 H LEU 44 5.537 0.155 -1.520 328 HA LEU 44 HA LEU 44 2.989 1.089 -2.086 329 HB2 LEU 44 1HB LEU 44 4.610 0.852 -3.850 330 HB3 LEU 44 2HB LEU 44 4.784 -0.859 -3.535 331 HG LEU 44 HG LEU 44 2.342 -1.134 -4.215 332 HD11 LEU 44 1HD1 LEU 44 2.752 1.727 -5.059 333 HD12 LEU 44 2HD1 LEU 44 1.549 1.108 -3.933 334 HD13 LEU 44 3HD1 LEU 44 1.437 0.711 -5.643 335 HD21 LEU 44 3HD2 LEU 44 4.313 -1.589 -5.713 336 HD22 LEU 44 1HD2 LEU 44 4.059 0.014 -6.410 337 HD23 LEU 44 2HD2 LEU 44 2.800 -1.216 -6.528 338 H MET 45 H MET 45 4.108 -2.242 -1.447 339 HA MET 45 HA MET 45 1.637 -3.464 -1.946 340 HB2 MET 45 1HB MET 45 3.984 -4.294 -0.226 341 HB3 MET 45 2HB MET 45 2.603 -5.338 -0.560 342 HG2 MET 45 1HG MET 45 3.039 -5.153 -2.981 343 HG3 MET 45 2HG MET 45 4.413 -4.097 -2.658 344 HE1 MET 45 3HE MET 45 6.306 -5.498 -3.774 345 HE2 MET 45 1HE MET 45 4.898 -6.329 -4.448 346 HE3 MET 45 2HE MET 45 6.249 -7.258 -3.808 347 H LYS 46 H LYS 46 3.150 -2.303 1.023 348 HA LYS 46 HA LYS 46 1.246 -3.141 2.853 349 HB2 LYS 46 1HB LYS 46 3.502 -1.749 3.143 350 HB3 LYS 46 2HB LYS 46 2.406 -0.387 3.135 351 HG2 LYS 46 1HG LYS 46 2.571 -0.901 5.431 352 HG3 LYS 46 2HG LYS 46 1.059 -1.660 4.946 353 HD2 LYS 46 1HD LYS 46 1.963 -3.836 5.001 354 HD3 LYS 46 2HD LYS 46 3.620 -3.272 4.831 355 HE2 LYS 46 1HE LYS 46 1.900 -2.802 7.276 356 HE3 LYS 46 2HE LYS 46 3.112 -4.076 7.128 357 HZ1 LYS 46 3HZ LYS 46 3.475 -1.170 7.299 358 HZ2 LYS 46 1HZ LYS 46 4.625 -2.093 6.464 359 HZ3 LYS 46 2HZ LYS 46 4.311 -2.410 8.103 360 H GLY 47 H GLY 47 1.296 -0.061 1.035 361 HA2 GLY 47 1HA GLY 47 -0.999 1.110 2.065 362 HA3 GLY 47 2HA GLY 47 -0.442 1.350 0.409 363 H LYS 48 H LYS 48 -0.757 -1.126 -0.705 364 HA LYS 48 HA LYS 48 -3.499 -1.207 -1.315 365 HB2 LYS 48 1HB LYS 48 -1.290 -3.227 -1.712 366 HB3 LYS 48 2HB LYS 48 -2.929 -3.501 -2.294 367 HG2 LYS 48 1HG LYS 48 -2.744 -1.260 -3.512 368 HG3 LYS 48 2HG LYS 48 -1.031 -1.278 -3.111 369 HD2 LYS 48 1HD LYS 48 -2.299 -3.639 -4.528 370 HD3 LYS 48 2HD LYS 48 -1.770 -2.229 -5.433 371 HE2 LYS 48 1HE LYS 48 0.496 -2.495 -4.600 372 HE3 LYS 48 2HE LYS 48 0.006 -3.834 -3.580 373 HZ1 LYS 48 3HZ LYS 48 0.213 -3.718 -6.509 374 HZ2 LYS 48 1HZ LYS 48 -0.829 -4.837 -5.776 375 HZ3 LYS 48 2HZ LYS 48 0.838 -4.878 -5.438 376 H ALA 49 H ALA 49 -1.609 -2.962 1.098 377 HA ALA 49 HA ALA 49 -3.528 -4.921 1.740 378 HB1 ALA 49 3HB ALA 49 -1.618 -3.662 3.720 379 HB2 ALA 49 1HB ALA 49 -1.089 -4.801 2.485 380 HB3 ALA 49 2HB ALA 49 -2.244 -5.308 3.715 381 H LEU 50 H LEU 50 -2.856 -1.771 3.240 382 HA LEU 50 HA LEU 50 -4.916 -1.849 5.136 383 HB2 LEU 50 1HB LEU 50 -3.281 0.299 3.840 384 HB3 LEU 50 2HB LEU 50 -4.639 0.789 4.846 385 HG LEU 50 HG LEU 50 -2.493 0.699 6.092 386 HD11 LEU 50 1HD1 LEU 50 -4.894 -0.079 7.046 387 HD12 LEU 50 2HD1 LEU 50 -3.431 -0.082 8.030 388 HD13 LEU 50 3HD1 LEU 50 -4.008 -1.582 7.308 389 HD21 LEU 50 3HD2 LEU 50 -1.361 -1.393 6.476 390 HD22 LEU 50 1HD2 LEU 50 -1.542 -1.161 4.747 391 HD23 LEU 50 2HD2 LEU 50 -2.599 -2.282 5.594 392 H TYR 51 H TYR 51 -4.889 -0.749 1.783 393 HA TYR 51 HA TYR 51 -7.476 0.393 1.810 394 HB2 TYR 51 1HB TYR 51 -6.106 0.987 -0.018 395 HB3 TYR 51 2HB TYR 51 -5.700 -0.689 -0.371 396 HD1 TYR 51 HD2 TYR 51 -8.390 1.871 -0.561 397 HD2 TYR 51 HD1 TYR 51 -7.148 -2.088 -1.672 398 HE1 TYR 51 HE2 TYR 51 -10.305 1.699 -2.140 399 HE2 TYR 51 HE1 TYR 51 -9.056 -2.255 -3.237 400 HH TYR 51 HH TYR 51 -11.596 -0.788 -3.201 401 H ASN 52 H ASN 52 -6.357 -2.856 0.837 402 HA ASN 52 HA ASN 52 -8.852 -3.886 0.115 403 HB2 ASN 52 1HB ASN 52 -6.709 -4.981 -0.398 404 HB3 ASN 52 2HB ASN 52 -6.490 -5.346 1.313 405 HD21 ASN 52 2HD2 ASN 52 -8.825 -5.896 -1.373 406 HD22 ASN 52 1HD2 ASN 52 -9.346 -7.408 -0.802 407 H LEU 53 H LEU 53 -7.361 -3.445 3.227 408 HA LEU 53 HA LEU 53 -9.273 -5.080 4.664 409 HB2 LEU 53 1HB LEU 53 -7.059 -3.214 5.508 410 HB3 LEU 53 2HB LEU 53 -8.139 -3.956 6.684 411 HG LEU 53 HG LEU 53 -6.613 -5.596 4.626 412 HD11 LEU 53 1HD1 LEU 53 -5.000 -4.338 6.002 413 HD12 LEU 53 2HD1 LEU 53 -4.954 -6.057 6.383 414 HD13 LEU 53 3HD1 LEU 53 -5.779 -4.937 7.464 415 HD21 LEU 53 3HD2 LEU 53 -8.321 -6.952 5.536 416 HD22 LEU 53 1HD2 LEU 53 -8.186 -6.234 7.138 417 HD23 LEU 53 2HD2 LEU 53 -6.949 -7.339 6.555 418 H GLU 54 H GLU 54 -9.869 -2.475 3.040 419 HA GLU 54 HA GLU 54 -11.601 -0.959 3.053 420 HB2 GLU 54 1HB GLU 54 -12.358 -2.056 5.778 421 HB3 GLU 54 2HB GLU 54 -13.353 -1.106 4.696 422 HG2 GLU 54 1HG GLU 54 -13.309 -2.884 3.020 423 HG3 GLU 54 2HG GLU 54 -12.254 -3.851 4.048 424 H ARG 55 H ARG 55 -8.939 -0.491 4.235 425 HA ARG 55 HA ARG 55 -9.557 1.714 6.148 426 HB2 ARG 55 1HB ARG 55 -6.800 0.547 5.764 427 HB3 ARG 55 2HB ARG 55 -7.465 1.403 7.146 428 HG2 ARG 55 1HG ARG 55 -8.356 -1.360 6.267 429 HG3 ARG 55 2HG ARG 55 -7.209 -1.035 7.564 430 HD2 ARG 55 1HD ARG 55 -8.966 0.384 8.670 431 HD3 ARG 55 2HD ARG 55 -10.102 -0.166 7.442 432 HE ARG 55 HE ARG 55 -8.812 -2.365 8.735 433 HH11 ARG 55 1HH2 ARG 55 -11.252 0.070 9.052 434 HH12 ARG 55 2HH2 ARG 55 -12.225 -0.850 10.149 435 HH21 ARG 55 1HH1 ARG 55 -10.081 -3.578 10.172 436 HH22 ARG 55 2HH1 ARG 55 -11.560 -2.917 10.784 437 H TYR 56 H TYR 56 -10.181 2.667 3.922 438 HA TYR 56 HA TYR 56 -8.279 3.454 2.038 439 HB2 TYR 56 1HB TYR 56 -10.586 5.208 2.898 440 HB3 TYR 56 2HB TYR 56 -9.887 5.033 1.288 441 HD1 TYR 56 HD1 TYR 56 -12.005 3.446 3.862 442 HD2 TYR 56 HD2 TYR 56 -10.448 3.122 -0.130 443 HE1 TYR 56 HE1 TYR 56 -13.621 1.631 3.383 444 HE2 TYR 56 HE2 TYR 56 -12.069 1.304 -0.605 445 HH TYR 56 HH TYR 56 -14.559 0.399 1.729 446 H GLU 57 H GLU 57 -9.196 4.914 5.127 447 HA GLU 57 HA GLU 57 -7.707 7.301 4.849 448 HB2 GLU 57 1HB GLU 57 -8.587 5.776 7.309 449 HB3 GLU 57 2HB GLU 57 -7.876 7.389 7.349 450 HG2 GLU 57 1HG GLU 57 -9.692 8.246 5.935 451 HG3 GLU 57 2HG GLU 57 -10.393 6.632 5.839 452 H GLU 58 H GLU 58 -6.943 4.253 6.522 453 HA GLU 58 HA GLU 58 -4.317 5.012 7.294 454 HB2 GLU 58 1HB GLU 58 -5.372 2.225 6.812 455 HB3 GLU 58 2HB GLU 58 -3.943 2.647 7.746 456 HG2 GLU 58 1HG GLU 58 -5.331 3.930 9.326 457 HG3 GLU 58 2HG GLU 58 -6.773 3.521 8.405 458 H ALA 59 H ALA 59 -5.595 3.331 4.457 459 HA ALA 59 HA ALA 59 -3.161 2.559 3.298 460 HB1 ALA 59 3HB ALA 59 -5.286 1.714 2.482 461 HB2 ALA 59 1HB ALA 59 -4.430 2.513 1.162 462 HB3 ALA 59 2HB ALA 59 -5.766 3.335 1.970 463 H VAL 60 H VAL 60 -4.979 5.590 3.010 464 HA VAL 60 HA VAL 60 -3.323 6.823 1.107 465 HB VAL 60 HB VAL 60 -5.151 7.902 3.254 466 HG11 VAL 60 1HG1 VAL 60 -4.838 10.140 1.993 467 HG12 VAL 60 2HG1 VAL 60 -3.358 9.430 1.349 468 HG13 VAL 60 3HG1 VAL 60 -3.544 9.656 3.085 469 HG21 VAL 60 3HG2 VAL 60 -6.562 8.464 1.362 470 HG22 VAL 60 1HG2 VAL 60 -6.054 6.788 1.167 471 HG23 VAL 60 2HG2 VAL 60 -5.277 8.060 0.223 472 H ASP 61 H ASP 61 -3.093 6.700 4.647 473 HA ASP 61 HA ASP 61 -0.987 8.509 4.975 474 HB2 ASP 61 1HB ASP 61 -2.302 7.567 6.836 475 HB3 ASP 61 2HB ASP 61 -1.553 5.998 6.565 476 H CYS 62 H CYS 62 -0.970 5.107 4.035 477 HA CYS 62 HA CYS 62 1.846 4.737 4.266 478 HB2 CYS 62 1HB CYS 62 -0.086 3.279 2.448 479 HB3 CYS 62 2HB CYS 62 1.498 2.715 2.974 480 HG CYS 62 HG CYS 62 -0.856 3.141 4.998 481 H TYR 63 H TYR 63 -0.250 5.323 1.415 482 HA TYR 63 HA TYR 63 1.828 5.538 -0.448 483 HB2 TYR 63 1HB TYR 63 -0.836 6.970 -0.446 484 HB3 TYR 63 2HB TYR 63 0.210 6.786 -1.847 485 HD1 TYR 63 HD2 TYR 63 1.096 4.000 -1.811 486 HD2 TYR 63 HD1 TYR 63 -2.746 5.605 -0.733 487 HE1 TYR 63 HE2 TYR 63 0.050 1.823 -2.241 488 HE2 TYR 63 HE1 TYR 63 -3.781 3.409 -1.184 489 HH TYR 63 HH TYR 63 -2.114 0.612 -1.409 490 H ASN 64 H ASN 64 0.333 8.038 1.585 491 HA ASN 64 HA ASN 64 1.717 10.229 0.505 492 HB2 ASN 64 1HB ASN 64 0.631 9.713 3.276 493 HB3 ASN 64 2HB ASN 64 1.296 11.267 2.777 494 HD21 ASN 64 2HD2 ASN 64 -1.477 10.932 3.519 495 HD22 ASN 64 1HD2 ASN 64 -2.419 11.212 2.135 496 H TYR 65 H TYR 65 2.630 7.828 2.915 497 HA TYR 65 HA TYR 65 4.920 9.087 3.939 498 HB2 TYR 65 1HB TYR 65 3.943 7.029 4.920 499 HB3 TYR 65 2HB TYR 65 4.461 6.123 3.508 500 HD1 TYR 65 HD2 TYR 65 6.862 5.807 2.995 501 HD2 TYR 65 HD1 TYR 65 5.527 7.656 6.638 502 HE1 TYR 65 HE2 TYR 65 9.105 5.457 3.991 503 HE2 TYR 65 HE1 TYR 65 7.770 7.307 7.633 504 HH TYR 65 HH TYR 65 9.911 5.239 6.664 505 H VAL 66 H VAL 66 4.481 7.017 1.091 506 HA VAL 66 HA VAL 66 7.244 6.959 0.376 507 HB VAL 66 HB VAL 66 4.791 6.513 -1.340 508 HG11 VAL 66 1HG1 VAL 66 6.427 5.183 -2.745 509 HG12 VAL 66 2HG1 VAL 66 7.728 5.893 -1.790 510 HG13 VAL 66 3HG1 VAL 66 6.698 6.926 -2.778 511 HG21 VAL 66 3HG2 VAL 66 5.111 5.023 0.690 512 HG22 VAL 66 1HG2 VAL 66 6.623 4.479 -0.046 513 HG23 VAL 66 2HG2 VAL 66 5.086 4.194 -0.867 514 H ILE 67 H ILE 67 4.514 8.979 -0.674 515 HA ILE 67 HA ILE 67 5.966 10.460 -2.611 516 HB ILE 67 HB ILE 67 3.426 11.066 -1.082 517 HG12 ILE 67 1HG1 ILE 67 3.838 10.327 -4.001 518 HG13 ILE 67 2HG1 ILE 67 3.554 9.117 -2.753 519 HG21 ILE 67 1HG2 ILE 67 4.321 13.210 -1.758 520 HG22 ILE 67 2HG2 ILE 67 3.086 12.780 -2.941 521 HG23 ILE 67 3HG2 ILE 67 4.790 12.573 -3.331 522 HD11 ILE 67 3HD1 ILE 67 1.453 9.750 -3.870 523 HD12 ILE 67 1HD1 ILE 67 1.713 11.433 -3.398 524 HD13 ILE 67 2HD1 ILE 67 1.432 10.204 -2.165 525 H ASN 68 H ASN 68 5.317 10.982 0.830 526 HA ASN 68 HA ASN 68 6.588 13.553 0.921 527 HB2 ASN 68 1HB ASN 68 5.940 11.638 3.175 528 HB3 ASN 68 2HB ASN 68 6.299 13.358 3.334 529 HD21 ASN 68 2HD2 ASN 68 4.733 13.722 0.656 530 HD22 ASN 68 1HD2 ASN 68 3.111 13.721 1.154 531 H VAL 69 H VAL 69 7.478 10.597 2.683 532 HA VAL 69 HA VAL 69 10.061 11.288 3.362 533 HB VAL 69 HB VAL 69 9.094 8.540 2.555 534 HG11 VAL 69 1HG1 VAL 69 10.930 7.823 4.175 535 HG12 VAL 69 2HG1 VAL 69 11.544 9.468 4.056 536 HG13 VAL 69 3HG1 VAL 69 11.469 8.450 2.619 537 HG21 VAL 69 3HG2 VAL 69 8.398 10.253 4.816 538 HG22 VAL 69 1HG2 VAL 69 9.285 8.858 5.413 539 HG23 VAL 69 2HG2 VAL 69 7.826 8.635 4.466 540 H ILE 70 H ILE 70 9.047 9.607 0.392 541 HA ILE 70 HA ILE 70 11.706 10.163 -0.815 542 HB ILE 70 HB ILE 70 9.574 8.196 -1.702 543 HG12 ILE 70 1HG1 ILE 70 12.262 7.648 -0.428 544 HG13 ILE 70 2HG1 ILE 70 10.755 7.681 0.482 545 HG21 ILE 70 1HG2 ILE 70 12.365 8.796 -2.680 546 HG22 ILE 70 2HG2 ILE 70 10.862 8.962 -3.585 547 HG23 ILE 70 3HG2 ILE 70 11.451 7.361 -3.140 548 HD11 ILE 70 3HD1 ILE 70 11.534 5.370 -0.306 549 HD12 ILE 70 1HD1 ILE 70 11.120 5.898 -1.940 550 HD13 ILE 70 2HD1 ILE 70 9.869 5.808 -0.698 551 H GLU 71 H GLU 71 11.839 11.629 -2.369 552 HA GLU 71 HA GLU 71 9.655 13.265 -3.138 553 HB2 GLU 71 1HB GLU 71 11.248 14.213 -4.801 554 HB3 GLU 71 2HB GLU 71 11.923 14.128 -3.175 555 HG2 GLU 71 1HG GLU 71 13.054 12.011 -3.757 556 HG3 GLU 71 2HG GLU 71 12.396 12.110 -5.387 557 H ASP 72 H ASP 72 9.370 10.340 -3.711 558 HA ASP 72 HA ASP 72 9.548 9.582 -6.335 559 HB2 ASP 72 1HB ASP 72 8.703 8.132 -4.533 560 HB3 ASP 72 2HB ASP 72 7.215 9.071 -4.470 561 H GLU 73 H GLU 73 6.328 10.461 -5.217 562 HA GLU 73 HA GLU 73 4.565 11.347 -6.423 563 HB2 GLU 73 1HB GLU 73 5.878 13.269 -5.310 564 HB3 GLU 73 2HB GLU 73 6.479 13.633 -6.922 565 HG2 GLU 73 1HG GLU 73 4.164 13.907 -7.741 566 HG3 GLU 73 2HG GLU 73 3.545 13.475 -6.153 567 H TYR 74 H TYR 74 6.056 9.584 -8.040 568 HA TYR 74 HA TYR 74 5.487 10.714 -10.692 569 HB2 TYR 74 1HB TYR 74 7.892 11.148 -10.274 570 HB3 TYR 74 2HB TYR 74 8.136 9.423 -9.989 571 HD1 TYR 74 HD2 TYR 74 7.343 11.993 -12.513 572 HD2 TYR 74 HD1 TYR 74 8.002 7.806 -11.812 573 HE1 TYR 74 HE2 TYR 74 7.521 11.610 -14.955 574 HE2 TYR 74 HE1 TYR 74 8.176 7.426 -14.251 575 HH TYR 74 HH TYR 74 7.338 9.862 -16.560 576 H ASN 75 H ASN 75 6.584 7.895 -8.840 577 HA ASN 75 HA ASN 75 6.185 5.840 -10.596 578 HB2 ASN 75 1HB ASN 75 6.899 5.792 -8.111 579 HB3 ASN 75 2HB ASN 75 5.189 5.652 -7.752 580 HD21 ASN 75 2HD2 ASN 75 6.983 4.175 -10.491 581 HD22 ASN 75 1HD2 ASN 75 6.641 2.573 -10.045 582 H LYS 76 H LYS 76 4.581 5.345 -11.883 583 HA LYS 76 HA LYS 76 1.966 6.434 -11.658 584 HB2 LYS 76 1HB LYS 76 1.461 4.918 -13.566 585 HB3 LYS 76 2HB LYS 76 2.882 5.926 -13.820 586 HG2 LYS 76 1HG LYS 76 3.910 3.928 -14.417 587 HG3 LYS 76 2HG LYS 76 4.068 3.688 -12.679 588 HD2 LYS 76 1HD LYS 76 1.934 2.454 -12.665 589 HD3 LYS 76 2HD LYS 76 1.792 2.695 -14.404 590 HE2 LYS 76 1HE LYS 76 4.053 1.244 -13.004 591 HE3 LYS 76 2HE LYS 76 2.737 0.472 -13.888 592 HZ1 LYS 76 3HZ LYS 76 4.819 2.277 -14.980 593 HZ2 LYS 76 1HZ LYS 76 3.453 1.783 -15.856 594 HZ3 LYS 76 2HZ LYS 76 4.589 0.632 -15.338 595 H ASP 77 H ASP 77 3.473 3.523 -10.517 596 HA ASP 77 HA ASP 77 1.105 1.991 -10.143 597 HB2 ASP 77 1HB ASP 77 3.499 1.130 -10.192 598 HB3 ASP 77 2HB ASP 77 3.668 1.750 -8.555 599 H VAL 78 H VAL 78 3.034 4.036 -7.973 600 HA VAL 78 HA VAL 78 1.434 3.629 -5.667 601 HB VAL 78 HB VAL 78 3.284 5.899 -6.436 602 HG11 VAL 78 1HG1 VAL 78 3.246 6.378 -3.930 603 HG12 VAL 78 2HG1 VAL 78 1.812 5.357 -3.852 604 HG13 VAL 78 3HG1 VAL 78 1.790 6.836 -4.812 605 HG21 VAL 78 3HG2 VAL 78 4.165 3.489 -6.028 606 HG22 VAL 78 1HG2 VAL 78 3.718 3.750 -4.342 607 HG23 VAL 78 2HG2 VAL 78 4.916 4.788 -5.105 608 H TRP 79 H TRP 79 1.435 6.245 -8.095 609 HA TRP 79 HA TRP 79 -0.687 7.720 -6.965 610 HB2 TRP 79 1HB TRP 79 0.701 7.629 -9.615 611 HB3 TRP 79 2HB TRP 79 -0.889 8.379 -9.609 612 HD1 TRP 79 HD1 TRP 79 2.679 9.045 -8.771 613 HE1 TRP 79 HE1 TRP 79 2.898 11.364 -7.660 614 HE3 TRP 79 HE3 TRP 79 -2.241 10.053 -7.858 615 HZ2 TRP 79 HZ2 TRP 79 1.200 13.380 -6.532 616 HZ3 TRP 79 HZ3 TRP 79 -2.915 12.172 -6.765 617 HH2 TRP 79 HH2 TRP 79 -1.201 13.836 -6.101 618 H ALA 80 H ALA 80 -0.711 5.270 -9.574 619 HA ALA 80 HA ALA 80 -3.456 5.313 -10.080 620 HB1 ALA 80 3HB ALA 80 -3.120 3.088 -11.044 621 HB2 ALA 80 1HB ALA 80 -1.572 2.946 -10.212 622 HB3 ALA 80 2HB ALA 80 -1.780 4.149 -11.485 623 H ALA 81 H ALA 81 -1.580 3.454 -7.704 624 HA ALA 81 HA ALA 81 -3.742 1.903 -6.738 625 HB1 ALA 81 3HB ALA 81 -1.150 2.733 -5.416 626 HB2 ALA 81 1HB ALA 81 -1.463 1.227 -6.278 627 HB3 ALA 81 2HB ALA 81 -2.270 1.551 -4.746 628 H LYS 82 H LYS 82 -2.310 4.956 -5.609 629 HA LYS 82 HA LYS 82 -3.930 5.318 -3.341 630 HB2 LYS 82 1HB LYS 82 -1.867 6.616 -3.829 631 HB3 LYS 82 2HB LYS 82 -2.727 7.457 -5.116 632 HG2 LYS 82 1HG LYS 82 -4.336 8.353 -3.495 633 HG3 LYS 82 2HG LYS 82 -3.553 7.452 -2.196 634 HD2 LYS 82 1HD LYS 82 -1.456 8.703 -2.596 635 HD3 LYS 82 2HD LYS 82 -2.250 9.611 -3.877 636 HE2 LYS 82 1HE LYS 82 -3.820 10.575 -2.302 637 HE3 LYS 82 2HE LYS 82 -3.186 9.573 -1.000 638 HZ1 LYS 82 3HZ LYS 82 -1.872 11.822 -2.403 639 HZ2 LYS 82 1HZ LYS 82 -0.970 10.682 -1.531 640 HZ3 LYS 82 2HZ LYS 82 -2.136 11.626 -0.737 641 H ALA 83 H ALA 83 -4.415 6.271 -6.725 642 HA ALA 83 HA ALA 83 -6.689 7.856 -6.466 643 HB1 ALA 83 3HB ALA 83 -7.175 7.294 -8.770 644 HB2 ALA 83 1HB ALA 83 -6.199 5.829 -8.662 645 HB3 ALA 83 2HB ALA 83 -5.424 7.411 -8.593 646 H ASP 84 H ASP 84 -6.551 4.320 -6.958 647 HA ASP 84 HA ASP 84 -9.241 3.717 -6.951 648 HB2 ASP 84 1HB ASP 84 -6.936 2.185 -5.727 649 HB3 ASP 84 2HB ASP 84 -8.559 1.521 -5.893 650 H ALA 85 H ALA 85 -7.133 4.257 -4.137 651 HA ALA 85 HA ALA 85 -9.030 3.659 -2.143 652 HB1 ALA 85 3HB ALA 85 -7.532 4.748 -0.617 653 HB2 ALA 85 1HB ALA 85 -6.778 5.660 -1.924 654 HB3 ALA 85 2HB ALA 85 -6.543 3.916 -1.817 655 H LEU 86 H LEU 86 -8.256 6.643 -3.862 656 HA LEU 86 HA LEU 86 -10.053 8.286 -2.328 657 HB2 LEU 86 1HB LEU 86 -8.697 8.728 -4.994 658 HB3 LEU 86 2HB LEU 86 -9.561 9.966 -4.093 659 HG LEU 86 HG LEU 86 -7.219 8.411 -2.949 660 HD11 LEU 86 1HD1 LEU 86 -6.377 9.633 -4.840 661 HD12 LEU 86 2HD1 LEU 86 -5.924 10.532 -3.395 662 HD13 LEU 86 3HD1 LEU 86 -7.276 11.078 -4.381 663 HD21 LEU 86 3HD2 LEU 86 -7.152 10.566 -1.476 664 HD22 LEU 86 1HD2 LEU 86 -8.400 9.374 -1.135 665 HD23 LEU 86 2HD2 LEU 86 -8.805 10.829 -2.041 666 H ARG 87 H ARG 87 -10.306 6.226 -5.105 667 HA ARG 87 HA ARG 87 -12.584 7.378 -6.309 668 HB2 ARG 87 1HB ARG 87 -11.077 5.651 -7.349 669 HB3 ARG 87 2HB ARG 87 -11.828 4.450 -6.305 670 HG2 ARG 87 1HG ARG 87 -13.996 4.853 -7.282 671 HG3 ARG 87 2HG ARG 87 -13.379 6.217 -8.208 672 HD2 ARG 87 1HD ARG 87 -13.506 4.304 -9.683 673 HD3 ARG 87 2HD ARG 87 -11.809 4.646 -9.373 674 HE ARG 87 HE ARG 87 -12.754 2.756 -7.483 675 HH11 ARG 87 1HH2 ARG 87 -11.988 3.134 -10.839 676 HH12 ARG 87 2HH2 ARG 87 -11.551 1.474 -11.067 677 HH21 ARG 87 1HH1 ARG 87 -12.182 0.581 -7.775 678 HH22 ARG 87 2HH1 ARG 87 -11.659 0.027 -9.333 679 H TYR 88 H TYR 88 -12.182 5.660 -3.422 680 HA TYR 88 HA TYR 88 -15.108 5.602 -2.993 681 HB2 TYR 88 1HB TYR 88 -14.222 3.315 -3.761 682 HB3 TYR 88 2HB TYR 88 -13.378 3.239 -2.215 683 HD1 TYR 88 HD1 TYR 88 -16.726 3.586 -3.798 684 HD2 TYR 88 HD2 TYR 88 -14.568 2.726 -0.189 685 HE1 TYR 88 HE1 TYR 88 -18.835 2.864 -2.711 686 HE2 TYR 88 HE2 TYR 88 -16.674 1.997 0.898 687 HH TYR 88 HH TYR 88 -18.867 1.804 0.697 688 H ILE 89 H ILE 89 -14.273 7.538 -1.799 689 HA ILE 89 HA ILE 89 -13.501 6.799 0.979 690 HB ILE 89 HB ILE 89 -11.581 7.840 -0.216 691 HG12 ILE 89 1HG1 ILE 89 -12.744 9.740 1.844 692 HG13 ILE 89 2HG1 ILE 89 -12.067 8.172 2.274 693 HG21 ILE 89 1HG2 ILE 89 -13.029 9.257 -1.729 694 HG22 ILE 89 2HG2 ILE 89 -11.694 10.127 -0.978 695 HG23 ILE 89 3HG2 ILE 89 -13.328 10.315 -0.351 696 HD11 ILE 89 3HD1 ILE 89 -9.911 8.795 1.336 697 HD12 ILE 89 1HD1 ILE 89 -10.417 10.028 2.491 698 HD13 ILE 89 2HD1 ILE 89 -10.570 10.326 0.760 699 H GLU 90 H GLU 90 -14.248 8.287 2.613 700 HA GLU 90 HA GLU 90 -16.947 8.973 2.397 701 HB2 GLU 90 1HB GLU 90 -16.527 10.338 4.473 702 HB3 GLU 90 2HB GLU 90 -15.961 8.670 4.563 703 HG2 GLU 90 1HG GLU 90 -13.676 9.384 4.034 704 HG3 GLU 90 2HG GLU 90 -14.218 11.051 3.861 705 H GLY 91 H GLY 91 -18.040 10.805 1.872 706 HA2 GLY 91 1HA GLY 91 -18.454 12.933 1.081 707 HA3 GLY 91 2HA GLY 91 -16.798 13.359 1.508 708 H LYS 92 H LYS 92 -18.388 13.953 -0.931 709 HA LYS 92 HA LYS 92 -16.595 12.731 -2.982 710 HB2 LYS 92 1HB LYS 92 -19.477 13.639 -3.250 711 HB3 LYS 92 2HB LYS 92 -18.450 13.156 -4.597 712 HG2 LYS 92 1HG LYS 92 -18.144 10.937 -3.587 713 HG3 LYS 92 2HG LYS 92 -19.151 11.409 -2.224 714 HD2 LYS 92 1HD LYS 92 -21.042 11.811 -3.807 715 HD3 LYS 92 2HD LYS 92 -20.025 11.223 -5.121 716 HE2 LYS 92 1HE LYS 92 -20.781 9.626 -2.655 717 HE3 LYS 92 2HE LYS 92 -21.495 9.426 -4.256 718 HZ1 LYS 92 3HZ LYS 92 -18.942 8.540 -3.250 719 HZ2 LYS 92 1HZ LYS 92 -18.858 9.284 -4.771 720 HZ3 LYS 92 2HZ LYS 92 -19.869 7.939 -4.542 721 H GLU 93 H GLU 93 -15.042 14.268 -2.971 722 HA GLU 93 HA GLU 93 -15.838 17.039 -3.731 723 HB2 GLU 93 1HB GLU 93 -13.434 16.074 -2.161 724 HB3 GLU 93 2HB GLU 93 -13.649 17.724 -2.750 725 HG2 GLU 93 1HG GLU 93 -15.715 17.952 -1.472 726 HG3 GLU 93 2HG GLU 93 -15.581 16.283 -0.921 727 H VAL 94 H VAL 94 -15.755 15.277 -5.742 728 HA VAL 94 HA VAL 94 -14.598 14.548 -7.637 729 HB VAL 94 HB VAL 94 -13.755 16.500 -8.932 730 HG11 VAL 94 1HG1 VAL 94 -16.151 16.003 -8.903 731 HG12 VAL 94 2HG1 VAL 94 -15.897 17.748 -8.935 732 HG13 VAL 94 3HG1 VAL 94 -16.348 16.951 -7.429 733 HG21 VAL 94 3HG2 VAL 94 -13.749 18.725 -7.993 734 HG22 VAL 94 1HG2 VAL 94 -12.777 17.722 -6.922 735 HG23 VAL 94 2HG2 VAL 94 -14.427 18.158 -6.471 736 H GLU 95 H GLU 95 -13.046 14.226 -5.177 737 HA GLU 95 HA GLU 95 -10.348 15.049 -5.620 738 HB2 GLU 95 1HB GLU 95 -11.369 14.436 -3.393 739 HB3 GLU 95 2HB GLU 95 -11.284 12.749 -3.892 740 HG2 GLU 95 1HG GLU 95 -9.300 13.181 -2.616 741 HG3 GLU 95 2HG GLU 95 -8.800 13.110 -4.303 742 H ALA 96 H ALA 96 -12.038 11.944 -6.051 743 HA ALA 96 HA ALA 96 -9.929 10.393 -6.946 744 HB1 ALA 96 3HB ALA 96 -12.336 9.702 -6.488 745 HB2 ALA 96 1HB ALA 96 -11.568 8.937 -7.879 746 HB3 ALA 96 2HB ALA 96 -12.714 10.259 -8.115 747 H GLU 97 H GLU 97 -11.513 13.029 -8.534 748 HA GLU 97 HA GLU 97 -10.852 12.350 -11.220 749 HB2 GLU 97 1HB GLU 97 -12.587 14.029 -10.542 750 HB3 GLU 97 2HB GLU 97 -11.286 15.105 -10.049 751 HG2 GLU 97 1HG GLU 97 -10.395 15.134 -12.321 752 HG3 GLU 97 2HG GLU 97 -11.621 13.980 -12.839 753 H ILE 98 H ILE 98 -9.313 14.517 -8.839 754 HA ILE 98 HA ILE 98 -7.172 15.370 -10.433 755 HB ILE 98 HB ILE 98 -7.546 15.070 -7.443 756 HG12 ILE 98 1HG1 ILE 98 -7.459 17.543 -7.531 757 HG13 ILE 98 2HG1 ILE 98 -7.174 17.469 -9.268 758 HG21 ILE 98 1HG2 ILE 98 -5.185 14.731 -7.616 759 HG22 ILE 98 2HG2 ILE 98 -5.366 16.450 -7.267 760 HG23 ILE 98 3HG2 ILE 98 -5.037 15.915 -8.912 761 HD11 ILE 98 3HD1 ILE 98 -9.597 16.179 -8.009 762 HD12 ILE 98 1HD1 ILE 98 -9.347 16.615 -9.699 763 HD13 ILE 98 2HD1 ILE 98 -9.599 17.872 -8.491 764 H ALA 99 H ALA 99 -7.421 12.556 -8.235 765 HA ALA 99 HA ALA 99 -4.768 11.665 -8.670 766 HB1 ALA 99 3HB ALA 99 -5.460 9.639 -7.562 767 HB2 ALA 99 1HB ALA 99 -7.160 9.990 -7.888 768 HB3 ALA 99 2HB ALA 99 -6.251 10.998 -6.763 769 H GLU 100 H GLU 100 -7.874 10.641 -10.063 770 HA GLU 100 HA GLU 100 -6.940 8.626 -11.736 771 HB2 GLU 100 1HB GLU 100 -9.342 9.178 -11.344 772 HB3 GLU 100 2HB GLU 100 -9.149 10.597 -12.373 773 HG2 GLU 100 1HG GLU 100 -8.536 9.181 -14.272 774 HG3 GLU 100 2HG GLU 100 -8.616 7.744 -13.252 775 H ALA 101 H ALA 101 -7.204 12.120 -12.387 776 HA ALA 101 HA ALA 101 -6.159 11.937 -15.042 777 HB1 ALA 101 3HB ALA 101 -7.561 13.825 -14.359 778 HB2 ALA 101 1HB ALA 101 -5.981 14.396 -14.896 779 HB3 ALA 101 2HB ALA 101 -6.350 14.314 -13.174 780 H ARG 102 H ARG 102 -4.759 12.725 -11.889 781 HA ARG 102 HA ARG 102 -2.202 13.465 -12.777 782 HB2 ARG 102 1HB ARG 102 -3.106 13.797 -10.452 783 HB3 ARG 102 2HB ARG 102 -2.856 12.081 -10.172 784 HG2 ARG 102 1HG ARG 102 -0.873 13.014 -9.299 785 HG3 ARG 102 2HG ARG 102 -0.373 12.575 -10.926 786 HD2 ARG 102 1HD ARG 102 -0.743 14.883 -11.688 787 HD3 ARG 102 2HD ARG 102 -1.332 15.330 -10.092 788 HE ARG 102 HE ARG 102 1.232 14.246 -9.786 789 HH11 ARG 102 1HH2 ARG 102 -0.383 16.912 -11.285 790 HH12 ARG 102 2HH2 ARG 102 0.967 17.988 -11.146 791 HH21 ARG 102 1HH1 ARG 102 3.007 15.649 -9.598 792 HH22 ARG 102 2HH1 ARG 102 2.888 17.272 -10.189 793 H ALA 103 H ALA 103 -3.487 10.289 -11.837 794 HA ALA 103 HA ALA 103 -1.016 8.908 -12.204 795 HB1 ALA 103 3HB ALA 103 -3.807 7.751 -12.296 796 HB2 ALA 103 1HB ALA 103 -2.942 8.105 -10.802 797 HB3 ALA 103 2HB ALA 103 -2.310 6.898 -11.923 798 H LYS 104 H LYS 104 -3.815 9.538 -14.234 799 HA LYS 104 HA LYS 104 -2.631 8.036 -16.475 800 HB2 LYS 104 1HB LYS 104 -5.145 7.970 -15.722 801 HB3 LYS 104 2HB LYS 104 -5.279 9.492 -16.594 802 HG2 LYS 104 1HG LYS 104 -4.466 8.419 -18.647 803 HG3 LYS 104 2HG LYS 104 -4.218 6.904 -17.781 804 HD2 LYS 104 1HD LYS 104 -6.604 6.728 -17.327 805 HD3 LYS 104 2HD LYS 104 -6.889 8.293 -18.094 806 HE2 LYS 104 1HE LYS 104 -7.402 6.532 -19.698 807 HE3 LYS 104 2HE LYS 104 -5.940 7.370 -20.218 808 HZ1 LYS 104 3HZ LYS 104 -5.766 4.924 -20.318 809 HZ2 LYS 104 1HZ LYS 104 -5.949 4.861 -18.633 810 HZ3 LYS 104 2HZ LYS 104 -4.597 5.635 -19.311 811 H LEU 105 H LEU 105 -1.795 10.778 -15.325 812 HA LEU 105 HA LEU 105 -2.377 12.733 -17.275 813 HB2 LEU 105 1HB LEU 105 -1.252 12.916 -14.888 814 HB3 LEU 105 2HB LEU 105 0.244 12.738 -15.784 815 HG LEU 105 HG LEU 105 -0.197 15.098 -15.554 816 HD11 LEU 105 1HD1 LEU 105 -1.038 14.416 -18.379 817 HD12 LEU 105 2HD1 LEU 105 0.610 14.173 -17.800 818 HD13 LEU 105 3HD1 LEU 105 -0.087 15.792 -17.832 819 HD21 LEU 105 3HD2 LEU 105 -2.785 15.054 -17.086 820 HD22 LEU 105 1HD2 LEU 105 -2.245 16.138 -15.809 821 HD23 LEU 105 2HD2 LEU 105 -2.855 14.542 -15.403 822 H GLU 106 H GLU 106 -1.963 12.486 -19.360 823 HA GLU 106 HA GLU 106 0.204 10.851 -20.361 824 HB2 GLU 106 1HB GLU 106 -1.829 12.627 -21.729 825 HB3 GLU 106 2HB GLU 106 -0.638 11.652 -22.592 826 HG2 GLU 106 1HG GLU 106 -1.526 9.612 -21.603 827 HG3 GLU 106 2HG GLU 106 -2.647 10.543 -20.612 828 H HIS 107 H HIS 107 -0.597 14.096 -21.522 829 HA HIS 107 HA HIS 107 1.925 15.253 -20.702 830 HB2 HIS 107 1HB HIS 107 2.690 13.938 -22.614 831 HB3 HIS 107 2HB HIS 107 1.441 14.654 -23.630 832 HD1 HIS 107 HD1 HIS 107 1.675 17.244 -24.152 833 HD2 HIS 107 HD2 HIS 107 4.976 15.540 -22.256 834 HE1 HIS 107 HE1 HIS 107 3.582 18.891 -24.412 835 HE2 HIS 107 HE2 HIS 107 5.600 17.868 -23.262 836 H HIS 108 H HIS 108 -1.189 15.402 -22.181 837 HA HIS 108 HA HIS 108 -1.131 18.182 -22.906 838 HB2 HIS 108 1HB HIS 108 -3.420 16.256 -22.433 839 HB3 HIS 108 2HB HIS 108 -3.626 17.902 -23.030 840 HD1 HIS 108 HD1 HIS 108 -2.473 14.502 -24.060 841 HD2 HIS 108 HD2 HIS 108 -2.610 18.339 -25.684 842 HE1 HIS 108 HE1 HIS 108 -1.987 14.253 -26.535 843 HE2 HIS 108 HE2 HIS 108 -2.067 16.582 -27.537 844 H HIS 109 H HIS 109 -0.849 19.700 -21.408 845 HA HIS 109 HA HIS 109 -1.442 19.390 -18.649 846 HB2 HIS 109 1HB HIS 109 0.279 20.950 -19.511 847 HB3 HIS 109 2HB HIS 109 -1.000 21.950 -20.202 848 HD1 HIS 109 HD1 HIS 109 -2.371 23.413 -18.603 849 HD2 HIS 109 HD2 HIS 109 0.360 20.962 -16.625 850 HE1 HIS 109 HE1 HIS 109 -2.319 24.195 -16.195 851 HE2 HIS 109 HE2 HIS 109 -0.658 22.711 -14.975 852 H HIS 110 H HIS 110 -3.154 20.945 -21.333 853 HA HIS 110 HA HIS 110 -5.196 22.147 -19.792 854 HB2 HIS 110 1HB HIS 110 -5.245 21.175 -22.660 855 HB3 HIS 110 2HB HIS 110 -6.435 22.254 -21.929 856 HD1 HIS 110 HD1 HIS 110 -5.493 24.618 -21.075 857 HD2 HIS 110 HD2 HIS 110 -2.912 22.445 -23.525 858 HE1 HIS 110 HE1 HIS 110 -3.714 26.241 -21.861 859 HE2 HIS 110 HE2 HIS 110 -2.133 24.930 -23.355 860 H HIS 111 H HIS 111 -7.068 21.394 -18.990 861 HA HIS 111 HA HIS 111 -7.441 18.547 -18.757 862 HB2 HIS 111 1HB HIS 111 -9.472 19.192 -17.463 863 HB3 HIS 111 2HB HIS 111 -8.002 19.973 -16.879 864 HD1 HIS 111 HD1 HIS 111 -11.258 20.678 -18.571 865 HD2 HIS 111 HD2 HIS 111 -7.846 22.785 -17.436 866 HE1 HIS 111 HE1 HIS 111 -11.830 23.137 -18.787 867 HE2 HIS 111 HE2 HIS 111 -9.758 24.433 -18.097 868 H HIS 112 H HIS 112 -9.154 17.306 -19.542 869 HA HIS 112 HA HIS 112 -10.000 17.860 -22.174 870 HB2 HIS 112 1HB HIS 112 -9.815 15.579 -21.199 871 HB3 HIS 112 2HB HIS 112 -11.228 15.921 -20.202 872 HD1 HIS 112 HD1 HIS 112 -13.529 16.137 -21.410 873 HD2 HIS 112 HD2 HIS 112 -10.378 15.121 -23.944 874 HE1 HIS 112 HE1 HIS 112 -14.577 15.388 -23.592 875 HE2 HIS 112 HE2 HIS 112 -12.668 14.765 -25.147 Start of MODEL 5 1 H1 MET 1 1H MET 1 23.464 -7.806 4.510 2 H2 MET 1 2H MET 1 22.867 -6.304 3.990 3 H3 MET 1 3H MET 1 24.423 -6.807 3.531 4 HA MET 1 HA MET 1 21.833 -7.524 2.430 5 HB2 MET 1 1HB MET 1 24.687 -7.369 1.419 6 HB3 MET 1 2HB MET 1 23.316 -7.826 0.409 7 HG2 MET 1 1HG MET 1 22.240 -5.674 0.831 8 HG3 MET 1 2HG MET 1 23.528 -5.222 1.946 9 HE1 MET 1 3HE MET 1 24.086 -7.082 -1.728 10 HE2 MET 1 1HE MET 1 23.601 -5.613 -2.585 11 HE3 MET 1 2HE MET 1 22.510 -6.357 -1.421 12 H VAL 2 H VAL 2 24.748 -9.055 3.635 13 HA VAL 2 HA VAL 2 24.021 -11.686 2.582 14 HB VAL 2 HB VAL 2 26.260 -10.873 4.452 15 HG11 VAL 2 1HG1 VAL 2 27.227 -13.065 3.648 16 HG12 VAL 2 2HG1 VAL 2 25.665 -13.411 2.905 17 HG13 VAL 2 3HG1 VAL 2 25.791 -13.241 4.654 18 HG21 VAL 2 3HG2 VAL 2 26.186 -11.312 1.450 19 HG22 VAL 2 1HG2 VAL 2 27.656 -11.067 2.395 20 HG23 VAL 2 2HG2 VAL 2 26.461 -9.774 2.271 21 H ASP 3 H ASP 3 22.887 -13.180 3.652 22 HA ASP 3 HA ASP 3 21.590 -14.147 5.283 23 HB2 ASP 3 1HB ASP 3 23.876 -14.631 6.146 24 HB3 ASP 3 2HB ASP 3 23.787 -13.157 7.110 25 H GLN 4 H GLN 4 20.607 -11.738 4.586 26 HA GLN 4 HA GLN 4 19.282 -10.874 7.033 27 HB2 GLN 4 1HB GLN 4 21.316 -9.421 6.907 28 HB3 GLN 4 2HB GLN 4 20.765 -8.857 5.329 29 HG2 GLN 4 1HG GLN 4 18.716 -7.969 6.311 30 HG3 GLN 4 2HG GLN 4 19.151 -8.628 7.887 31 HE21 GLN 4 2HE2 GLN 4 18.828 -6.096 8.278 32 HE22 GLN 4 1HE2 GLN 4 20.248 -5.171 8.176 33 H ASN 5 H ASN 5 19.652 -10.953 3.589 34 HA ASN 5 HA ASN 5 17.789 -9.408 2.482 35 HB2 ASN 5 1HB ASN 5 18.131 -12.342 1.907 36 HB3 ASN 5 2HB ASN 5 17.331 -11.184 0.844 37 HD21 ASN 5 2HD2 ASN 5 20.046 -12.761 0.718 38 HD22 ASN 5 1HD2 ASN 5 21.153 -11.554 0.271 39 HA PRO 6 HA PRO 6 14.158 -10.909 4.824 40 HB2 PRO 6 1HB PRO 6 12.606 -8.664 4.592 41 HB3 PRO 6 2HB PRO 6 13.910 -8.814 5.783 42 HG2 PRO 6 1HG PRO 6 13.870 -7.345 3.199 43 HG3 PRO 6 2HG PRO 6 14.689 -6.934 4.712 44 HD2 PRO 6 1HD PRO 6 15.919 -8.085 2.473 45 HD3 PRO 6 2HD PRO 6 16.588 -8.105 4.122 46 H GLU 7 H GLU 7 14.718 -10.852 1.694 47 HA GLU 7 HA GLU 7 12.183 -10.567 0.456 48 HB2 GLU 7 1HB GLU 7 14.691 -12.045 -0.358 49 HB3 GLU 7 2HB GLU 7 13.274 -11.904 -1.395 50 HG2 GLU 7 1HG GLU 7 14.709 -9.516 -0.205 51 HG3 GLU 7 2HG GLU 7 15.066 -10.160 -1.805 52 H GLU 8 H GLU 8 13.518 -13.013 2.437 53 HA GLU 8 HA GLU 8 12.083 -15.256 1.404 54 HB2 GLU 8 1HB GLU 8 14.115 -15.352 2.916 55 HB3 GLU 8 2HB GLU 8 13.058 -14.885 4.246 56 HG2 GLU 8 1HG GLU 8 13.176 -17.280 4.288 57 HG3 GLU 8 2HG GLU 8 11.592 -16.877 3.634 58 H TYR 9 H TYR 9 11.402 -12.806 3.843 59 HA TYR 9 HA TYR 9 9.078 -13.963 4.945 60 HB2 TYR 9 1HB TYR 9 9.686 -11.017 4.661 61 HB3 TYR 9 2HB TYR 9 8.621 -11.761 5.846 62 HD1 TYR 9 HD2 TYR 9 10.309 -14.162 6.680 63 HD2 TYR 9 HD1 TYR 9 11.377 -10.047 6.025 64 HE1 TYR 9 HE2 TYR 9 12.239 -14.422 8.175 65 HE2 TYR 9 HE1 TYR 9 13.315 -10.325 7.538 66 HH TYR 9 HH TYR 9 13.757 -13.253 9.419 67 H TYR 10 H TYR 10 9.609 -12.347 1.948 68 HA TYR 10 HA TYR 10 7.122 -11.338 1.290 69 HB2 TYR 10 1HB TYR 10 7.903 -11.269 -0.895 70 HB3 TYR 10 2HB TYR 10 9.427 -11.572 -0.063 71 HD1 TYR 10 HD1 TYR 10 9.425 -14.339 0.638 72 HD2 TYR 10 HD2 TYR 10 7.833 -12.528 -2.907 73 HE1 TYR 10 HE1 TYR 10 9.661 -16.493 -0.554 74 HE2 TYR 10 HE2 TYR 10 8.064 -14.688 -4.106 75 HH TYR 10 HH TYR 10 8.946 -17.638 -2.419 76 H LEU 11 H LEU 11 7.937 -14.602 1.948 77 HA LEU 11 HA LEU 11 6.369 -16.206 0.423 78 HB2 LEU 11 1HB LEU 11 6.268 -17.733 2.241 79 HB3 LEU 11 2HB LEU 11 7.772 -16.841 2.434 80 HG LEU 11 HG LEU 11 6.072 -15.245 3.919 81 HD11 LEU 11 1HD1 LEU 11 4.231 -17.018 3.512 82 HD12 LEU 11 2HD1 LEU 11 4.514 -16.528 5.177 83 HD13 LEU 11 3HD1 LEU 11 5.157 -18.058 4.587 84 HD21 LEU 11 3HD2 LEU 11 7.032 -16.312 5.911 85 HD22 LEU 11 1HD2 LEU 11 8.262 -16.161 4.658 86 HD23 LEU 11 2HD2 LEU 11 7.498 -17.720 4.958 87 H GLU 12 H GLU 12 5.299 -13.711 2.559 88 HA GLU 12 HA GLU 12 2.703 -14.556 3.094 89 HB2 GLU 12 1HB GLU 12 2.209 -12.174 3.401 90 HB3 GLU 12 2HB GLU 12 3.695 -12.650 4.204 91 HG2 GLU 12 1HG GLU 12 4.463 -10.714 3.167 92 HG3 GLU 12 2HG GLU 12 4.782 -11.848 1.874 93 H GLY 13 H GLY 13 3.947 -12.585 0.435 94 HA2 GLY 13 1HA GLY 13 1.772 -11.898 -1.009 95 HA3 GLY 13 2HA GLY 13 3.229 -12.502 -1.787 96 H VAL 14 H VAL 14 3.140 -15.172 -0.848 97 HA VAL 14 HA VAL 14 1.380 -16.342 -2.754 98 HB VAL 14 HB VAL 14 2.781 -17.619 -0.392 99 HG11 VAL 14 1HG1 VAL 14 2.656 -19.661 -1.883 100 HG12 VAL 14 2HG1 VAL 14 1.552 -18.756 -2.918 101 HG13 VAL 14 3HG1 VAL 14 1.105 -19.116 -1.250 102 HG21 VAL 14 3HG2 VAL 14 3.667 -17.135 -3.251 103 HG22 VAL 14 1HG2 VAL 14 4.498 -18.219 -2.133 104 HG23 VAL 14 2HG2 VAL 14 4.407 -16.493 -1.784 105 H LEU 15 H LEU 15 1.347 -16.561 0.814 106 HA LEU 15 HA LEU 15 -0.974 -17.926 1.236 107 HB2 LEU 15 1HB LEU 15 -0.319 -15.420 2.804 108 HB3 LEU 15 2HB LEU 15 -1.167 -16.861 3.361 109 HG LEU 15 HG LEU 15 1.756 -16.664 2.607 110 HD11 LEU 15 1HD1 LEU 15 0.437 -17.368 5.239 111 HD12 LEU 15 2HD1 LEU 15 1.038 -15.759 4.838 112 HD13 LEU 15 3HD1 LEU 15 2.158 -17.117 4.948 113 HD21 LEU 15 3HD2 LEU 15 -0.010 -19.045 3.245 114 HD22 LEU 15 1HD2 LEU 15 1.734 -19.096 3.508 115 HD23 LEU 15 2HD2 LEU 15 1.099 -18.838 1.886 116 H GLN 16 H GLN 16 -0.930 -14.330 1.196 117 HA GLN 16 HA GLN 16 -3.670 -13.897 1.057 118 HB2 GLN 16 1HB GLN 16 -1.410 -12.336 -0.210 119 HB3 GLN 16 2HB GLN 16 -3.069 -11.748 -0.111 120 HG2 GLN 16 1HG GLN 16 -3.004 -11.853 2.324 121 HG3 GLN 16 2HG GLN 16 -1.390 -12.563 2.281 122 HE21 GLN 16 2HE2 GLN 16 -0.020 -10.930 3.051 123 HE22 GLN 16 1HE2 GLN 16 -0.012 -9.334 2.473 124 H TYR 17 H TYR 17 -1.458 -14.088 -1.761 125 HA TYR 17 HA TYR 17 -3.274 -13.878 -3.807 126 HB2 TYR 17 1HB TYR 17 -0.843 -14.141 -4.132 127 HB3 TYR 17 2HB TYR 17 -0.966 -15.832 -3.660 128 HD1 TYR 17 HD1 TYR 17 -1.799 -13.354 -6.251 129 HD2 TYR 17 HD2 TYR 17 -1.969 -17.499 -5.134 130 HE1 TYR 17 HE1 TYR 17 -2.386 -13.958 -8.581 131 HE2 TYR 17 HE2 TYR 17 -2.555 -18.103 -7.467 132 HH TYR 17 HH TYR 17 -2.542 -15.692 -10.045 133 H ASP 18 H ASP 18 -2.249 -17.032 -2.411 134 HA ASP 18 HA ASP 18 -4.396 -18.452 -3.678 135 HB2 ASP 18 1HB ASP 18 -2.272 -19.555 -3.116 136 HB3 ASP 18 2HB ASP 18 -2.571 -19.272 -1.402 137 H ALA 19 H ALA 19 -3.684 -18.045 -0.219 138 HA ALA 19 HA ALA 19 -6.572 -18.279 0.409 139 HB1 ALA 19 3HB ALA 19 -5.920 -18.847 2.630 140 HB2 ALA 19 1HB ALA 19 -4.271 -18.271 2.378 141 HB3 ALA 19 2HB ALA 19 -4.831 -19.735 1.566 142 H GLY 20 H GLY 20 -5.476 -16.906 3.054 143 HA2 GLY 20 1HA GLY 20 -5.848 -14.088 2.148 144 HA3 GLY 20 2HA GLY 20 -6.651 -14.733 3.574 145 H ASN 21 H ASN 21 -5.495 -14.993 5.484 146 HA ASN 21 HA ASN 21 -3.883 -14.454 7.045 147 HB2 ASN 21 1HB ASN 21 -2.184 -15.246 4.676 148 HB3 ASN 21 2HB ASN 21 -1.488 -14.860 6.234 149 HD21 ASN 21 2HD2 ASN 21 -3.369 -16.056 7.973 150 HD22 ASN 21 1HD2 ASN 21 -3.378 -17.732 7.712 151 H TYR 22 H TYR 22 -5.056 -12.303 5.510 152 HA TYR 22 HA TYR 22 -3.121 -10.452 4.618 153 HB2 TYR 22 1HB TYR 22 -5.870 -9.956 5.789 154 HB3 TYR 22 2HB TYR 22 -4.911 -8.775 4.898 155 HD1 TYR 22 HD2 TYR 22 -4.314 -9.204 2.492 156 HD2 TYR 22 HD1 TYR 22 -7.110 -11.668 4.634 157 HE1 TYR 22 HE2 TYR 22 -5.185 -10.088 0.343 158 HE2 TYR 22 HE1 TYR 22 -7.977 -12.550 2.485 159 HH TYR 22 HH TYR 22 -6.411 -12.332 -0.362 160 H THR 23 H THR 23 -4.835 -10.704 7.743 161 HA THR 23 HA THR 23 -3.391 -8.619 8.987 162 HB THR 23 HB THR 23 -4.685 -10.974 10.376 163 HG1 THR 23 HG1 THR 23 -6.062 -9.950 8.824 164 HG21 THR 23 3HG2 THR 23 -5.082 -9.248 12.134 165 HG22 THR 23 1HG2 THR 23 -4.159 -8.095 11.173 166 HG23 THR 23 2HG2 THR 23 -3.366 -9.526 11.834 167 H GLU 24 H GLU 24 -2.916 -12.138 8.906 168 HA GLU 24 HA GLU 24 -0.758 -12.229 10.734 169 HB2 GLU 24 1HB GLU 24 -1.390 -14.046 8.405 170 HB3 GLU 24 2HB GLU 24 -0.218 -14.407 9.665 171 HG2 GLU 24 1HG GLU 24 -3.148 -13.833 10.181 172 HG3 GLU 24 2HG GLU 24 -2.467 -15.453 10.050 173 H SER 25 H SER 25 -0.813 -11.862 7.202 174 HA SER 25 HA SER 25 1.919 -11.998 6.680 175 HB2 SER 25 1HB SER 25 1.436 -10.484 4.742 176 HB3 SER 25 2HB SER 25 0.355 -11.874 4.854 177 HG SER 25 HG SER 25 -0.170 -9.219 4.993 178 H ILE 26 H ILE 26 0.085 -9.458 8.207 179 HA ILE 26 HA ILE 26 1.771 -7.249 7.864 180 HB ILE 26 HB ILE 26 0.125 -8.000 10.290 181 HG12 ILE 26 1HG1 ILE 26 -0.456 -6.060 8.032 182 HG13 ILE 26 2HG1 ILE 26 -1.072 -7.711 8.080 183 HG21 ILE 26 1HG2 ILE 26 1.728 -6.385 11.019 184 HG22 ILE 26 2HG2 ILE 26 0.229 -5.509 10.745 185 HG23 ILE 26 3HG2 ILE 26 1.524 -5.429 9.550 186 HD11 ILE 26 3HD1 ILE 26 -2.809 -6.307 8.959 187 HD12 ILE 26 1HD1 ILE 26 -1.676 -5.461 10.013 188 HD13 ILE 26 2HD1 ILE 26 -2.095 -7.142 10.339 189 H ASP 27 H ASP 27 2.009 -10.005 10.078 190 HA ASP 27 HA ASP 27 4.103 -8.929 11.666 191 HB2 ASP 27 1HB ASP 27 2.755 -10.786 12.452 192 HB3 ASP 27 2HB ASP 27 3.285 -11.782 11.103 193 H LEU 28 H LEU 28 4.135 -11.283 8.989 194 HA LEU 28 HA LEU 28 6.930 -11.550 8.858 195 HB2 LEU 28 1HB LEU 28 4.696 -11.971 6.890 196 HB3 LEU 28 2HB LEU 28 6.356 -12.143 6.350 197 HG LEU 28 HG LEU 28 5.243 -14.290 7.075 198 HD11 LEU 28 1HD1 LEU 28 7.798 -13.808 7.149 199 HD12 LEU 28 2HD1 LEU 28 7.180 -15.208 8.014 200 HD13 LEU 28 3HD1 LEU 28 7.586 -13.748 8.900 201 HD21 LEU 28 3HD2 LEU 28 4.812 -14.708 9.394 202 HD22 LEU 28 1HD2 LEU 28 4.021 -13.183 9.001 203 HD23 LEU 28 2HD2 LEU 28 5.552 -13.184 9.878 204 H PHE 29 H PHE 29 4.776 -9.396 6.987 205 HA PHE 29 HA PHE 29 6.856 -8.155 5.543 206 HB2 PHE 29 1HB PHE 29 4.205 -8.077 5.284 207 HB3 PHE 29 2HB PHE 29 4.360 -6.619 6.259 208 HD1 PHE 29 HD2 PHE 29 5.829 -4.726 5.447 209 HD2 PHE 29 HD1 PHE 29 4.889 -8.122 2.996 210 HE1 PHE 29 HE2 PHE 29 6.548 -3.474 3.428 211 HE2 PHE 29 HE1 PHE 29 5.604 -6.874 0.983 212 HZ PHE 29 HZ PHE 29 6.430 -4.555 1.198 213 H GLU 30 H GLU 30 5.248 -7.257 8.593 214 HA GLU 30 HA GLU 30 6.391 -4.804 9.115 215 HB2 GLU 30 1HB GLU 30 4.780 -5.766 10.642 216 HB3 GLU 30 2HB GLU 30 5.884 -7.073 11.062 217 HG2 GLU 30 1HG GLU 30 5.840 -5.357 12.813 218 HG3 GLU 30 2HG GLU 30 7.430 -5.388 12.068 219 H LYS 31 H LYS 31 7.917 -7.984 9.411 220 HA LYS 31 HA LYS 31 10.272 -7.091 10.717 221 HB2 LYS 31 1HB LYS 31 9.750 -9.516 8.984 222 HB3 LYS 31 2HB LYS 31 11.238 -9.250 9.888 223 HG2 LYS 31 1HG LYS 31 9.981 -9.165 11.989 224 HG3 LYS 31 2HG LYS 31 8.466 -9.371 11.108 225 HD2 LYS 31 1HD LYS 31 9.180 -11.566 10.317 226 HD3 LYS 31 2HD LYS 31 10.754 -11.355 11.083 227 HE2 LYS 31 1HE LYS 31 9.344 -12.739 12.512 228 HE3 LYS 31 2HE LYS 31 9.626 -11.185 13.288 229 HZ1 LYS 31 3HZ LYS 31 7.473 -10.675 13.196 230 HZ2 LYS 31 1HZ LYS 31 7.200 -12.316 12.862 231 HZ3 LYS 31 2HZ LYS 31 7.313 -11.198 11.587 232 H ALA 32 H ALA 32 9.319 -7.321 7.338 233 HA ALA 32 HA ALA 32 11.886 -6.844 6.216 234 HB1 ALA 32 3HB ALA 32 10.642 -6.337 4.166 235 HB2 ALA 32 1HB ALA 32 9.143 -6.260 5.075 236 HB3 ALA 32 2HB ALA 32 10.012 -7.786 4.932 237 H ILE 33 H ILE 33 9.129 -4.666 6.827 238 HA ILE 33 HA ILE 33 10.382 -2.294 5.959 239 HB ILE 33 HB ILE 33 8.140 -2.737 7.953 240 HG12 ILE 33 1HG1 ILE 33 8.062 -1.748 5.083 241 HG13 ILE 33 2HG1 ILE 33 7.839 -3.440 5.523 242 HG21 ILE 33 1HG2 ILE 33 7.619 -0.309 7.469 243 HG22 ILE 33 2HG2 ILE 33 9.190 -0.184 6.686 244 HG23 ILE 33 3HG2 ILE 33 9.086 -0.544 8.409 245 HD11 ILE 33 3HD1 ILE 33 5.909 -2.856 6.911 246 HD12 ILE 33 1HD1 ILE 33 5.673 -2.246 5.272 247 HD13 ILE 33 2HD1 ILE 33 6.153 -1.145 6.563 248 H GLN 34 H GLN 34 10.285 -3.895 9.122 249 HA GLN 34 HA GLN 34 11.566 -1.824 10.580 250 HB2 GLN 34 1HB GLN 34 11.236 -4.792 11.046 251 HB3 GLN 34 2HB GLN 34 12.120 -3.773 12.182 252 HG2 GLN 34 1HG GLN 34 9.290 -3.176 11.283 253 HG3 GLN 34 2HG GLN 34 9.666 -4.103 12.733 254 HE21 GLN 34 2HE2 GLN 34 8.751 -1.083 11.898 255 HE22 GLN 34 1HE2 GLN 34 9.571 -0.175 13.073 256 H LEU 35 H LEU 35 12.776 -4.583 8.747 257 HA LEU 35 HA LEU 35 15.502 -4.238 9.551 258 HB2 LEU 35 1HB LEU 35 14.164 -5.767 7.321 259 HB3 LEU 35 2HB LEU 35 15.909 -5.764 7.536 260 HG LEU 35 HG LEU 35 14.057 -6.496 9.826 261 HD11 LEU 35 1HD1 LEU 35 15.213 -8.352 7.724 262 HD12 LEU 35 2HD1 LEU 35 13.503 -7.997 7.973 263 HD13 LEU 35 3HD1 LEU 35 14.412 -8.870 9.207 264 HD21 LEU 35 3HD2 LEU 35 16.972 -7.067 9.176 265 HD22 LEU 35 1HD2 LEU 35 16.102 -7.851 10.489 266 HD23 LEU 35 2HD2 LEU 35 16.350 -6.116 10.521 267 H ASP 36 H ASP 36 13.552 -3.154 6.829 268 HA ASP 36 HA ASP 36 15.532 -1.076 6.244 269 HB2 ASP 36 1HB ASP 36 16.211 -3.073 4.921 270 HB3 ASP 36 2HB ASP 36 14.645 -3.020 4.112 271 HA PRO 37 HA PRO 37 11.235 0.302 5.426 272 HB2 PRO 37 1HB PRO 37 11.186 2.540 6.924 273 HB3 PRO 37 2HB PRO 37 11.055 0.932 7.668 274 HG2 PRO 37 1HG PRO 37 13.414 2.760 7.533 275 HG3 PRO 37 2HG PRO 37 12.884 1.703 8.855 276 HD2 PRO 37 1HD PRO 37 14.906 1.071 6.982 277 HD3 PRO 37 2HD PRO 37 14.074 -0.108 8.022 278 H GLU 38 H GLU 38 14.308 1.562 4.786 279 HA GLU 38 HA GLU 38 13.623 4.026 3.501 280 HB2 GLU 38 1HB GLU 38 15.899 3.455 4.387 281 HB3 GLU 38 2HB GLU 38 16.073 2.294 3.076 282 HG2 GLU 38 1HG GLU 38 15.953 4.036 1.414 283 HG3 GLU 38 2HG GLU 38 15.496 5.235 2.623 284 H GLU 39 H GLU 39 13.052 0.846 2.632 285 HA GLU 39 HA GLU 39 13.340 1.172 -0.254 286 HB2 GLU 39 1HB GLU 39 12.292 -1.057 1.510 287 HB3 GLU 39 2HB GLU 39 12.323 -1.145 -0.251 288 HG2 GLU 39 1HG GLU 39 14.717 -0.952 -0.304 289 HG3 GLU 39 2HG GLU 39 14.785 -0.554 1.409 290 H SER 40 H SER 40 11.869 2.365 -1.280 291 HA SER 40 HA SER 40 9.286 2.975 -0.295 292 HB2 SER 40 1HB SER 40 10.207 4.514 -1.837 293 HB3 SER 40 2HB SER 40 10.586 3.244 -3.000 294 HG SER 40 HG SER 40 8.435 3.024 -3.445 295 H LYS 41 H LYS 41 10.394 0.687 -2.756 296 HA LYS 41 HA LYS 41 7.959 -0.270 -3.684 297 HB2 LYS 41 1HB LYS 41 10.540 -1.785 -3.224 298 HB3 LYS 41 2HB LYS 41 9.170 -2.427 -4.128 299 HG2 LYS 41 1HG LYS 41 9.332 -0.367 -5.613 300 HG3 LYS 41 2HG LYS 41 10.859 -0.007 -4.814 301 HD2 LYS 41 1HD LYS 41 10.207 -2.560 -6.328 302 HD3 LYS 41 2HD LYS 41 11.225 -1.249 -6.918 303 HE2 LYS 41 1HE LYS 41 11.785 -3.185 -4.664 304 HE3 LYS 41 2HE LYS 41 12.767 -2.844 -6.084 305 HZ1 LYS 41 3HZ LYS 41 12.333 -1.137 -3.710 306 HZ2 LYS 41 1HZ LYS 41 12.952 -0.515 -5.160 307 HZ3 LYS 41 2HZ LYS 41 13.800 -1.729 -4.330 308 H TYR 42 H TYR 42 9.610 -0.985 -0.669 309 HA TYR 42 HA TYR 42 7.995 -3.216 0.069 310 HB2 TYR 42 1HB TYR 42 9.893 -1.407 1.559 311 HB3 TYR 42 2HB TYR 42 8.940 -2.605 2.419 312 HD1 TYR 42 HD2 TYR 42 10.519 -2.867 -1.010 313 HD2 TYR 42 HD1 TYR 42 10.522 -4.247 3.062 314 HE1 TYR 42 HE2 TYR 42 12.123 -4.629 -1.612 315 HE2 TYR 42 HE1 TYR 42 12.142 -6.006 2.433 316 HH TYR 42 HH TYR 42 13.667 -6.604 0.812 317 H TRP 43 H TRP 43 7.818 0.263 0.610 318 HA TRP 43 HA TRP 43 5.643 0.126 2.474 319 HB2 TRP 43 1HB TRP 43 6.990 2.306 0.892 320 HB3 TRP 43 2HB TRP 43 5.461 2.646 1.702 321 HD1 TRP 43 HD1 TRP 43 9.041 2.804 2.341 322 HE1 TRP 43 HE1 TRP 43 9.512 2.919 4.873 323 HE3 TRP 43 HE3 TRP 43 4.488 1.396 4.158 324 HZ2 TRP 43 HZ2 TRP 43 8.152 2.446 7.344 325 HZ3 TRP 43 HZ3 TRP 43 4.103 1.234 6.602 326 HH2 TRP 43 HH2 TRP 43 5.925 1.755 8.194 327 H LEU 44 H LEU 44 5.937 0.327 -1.031 328 HA LEU 44 HA LEU 44 3.395 1.182 -1.721 329 HB2 LEU 44 1HB LEU 44 5.073 0.867 -3.417 330 HB3 LEU 44 2HB LEU 44 5.211 -0.843 -3.045 331 HG LEU 44 HG LEU 44 2.948 -1.256 -3.869 332 HD11 LEU 44 1HD1 LEU 44 1.710 0.682 -3.314 333 HD12 LEU 44 2HD1 LEU 44 1.811 0.755 -5.066 334 HD13 LEU 44 3HD1 LEU 44 2.870 1.757 -4.081 335 HD21 LEU 44 3HD2 LEU 44 4.471 0.482 -5.827 336 HD22 LEU 44 1HD2 LEU 44 3.326 -0.800 -6.220 337 HD23 LEU 44 2HD2 LEU 44 4.867 -1.198 -5.464 338 H MET 45 H MET 45 4.484 -2.120 -0.877 339 HA MET 45 HA MET 45 2.050 -3.402 -1.419 340 HB2 MET 45 1HB MET 45 4.239 -4.533 -0.997 341 HB3 MET 45 2HB MET 45 4.084 -4.116 0.707 342 HG2 MET 45 1HG MET 45 3.303 -6.385 0.425 343 HG3 MET 45 2HG MET 45 1.892 -5.378 0.734 344 HE1 MET 45 3HE MET 45 1.012 -7.780 -0.100 345 HE2 MET 45 1HE MET 45 2.433 -8.397 -0.954 346 HE3 MET 45 2HE MET 45 0.891 -8.249 -1.794 347 H LYS 46 H LYS 46 3.302 -1.886 1.530 348 HA LYS 46 HA LYS 46 1.330 -2.606 3.324 349 HB2 LYS 46 1HB LYS 46 3.383 -1.241 3.853 350 HB3 LYS 46 2HB LYS 46 2.565 0.152 3.163 351 HG2 LYS 46 1HG LYS 46 2.216 0.283 5.525 352 HG3 LYS 46 2HG LYS 46 0.686 -0.240 4.838 353 HD2 LYS 46 1HD LYS 46 0.976 -2.481 5.586 354 HD3 LYS 46 2HD LYS 46 2.704 -2.260 5.853 355 HE2 LYS 46 1HE LYS 46 0.545 -0.824 7.419 356 HE3 LYS 46 2HE LYS 46 1.348 -2.298 7.961 357 HZ1 LYS 46 3HZ LYS 46 2.228 0.299 8.283 358 HZ2 LYS 46 1HZ LYS 46 3.255 -0.383 7.118 359 HZ3 LYS 46 2HZ LYS 46 3.082 -1.126 8.637 360 H GLY 47 H GLY 47 1.301 0.189 1.113 361 HA2 GLY 47 1HA GLY 47 -1.133 1.313 1.846 362 HA3 GLY 47 2HA GLY 47 -0.465 1.383 0.219 363 H LYS 48 H LYS 48 -0.554 -1.191 -0.643 364 HA LYS 48 HA LYS 48 -3.221 -1.556 -1.426 365 HB2 LYS 48 1HB LYS 48 -0.940 -3.549 -1.341 366 HB3 LYS 48 2HB LYS 48 -2.469 -3.814 -2.178 367 HG2 LYS 48 1HG LYS 48 -2.063 -1.883 -3.614 368 HG3 LYS 48 2HG LYS 48 -0.577 -1.513 -2.740 369 HD2 LYS 48 1HD LYS 48 0.302 -3.770 -3.398 370 HD3 LYS 48 2HD LYS 48 -1.139 -3.993 -4.392 371 HE2 LYS 48 1HE LYS 48 0.762 -1.655 -4.705 372 HE3 LYS 48 2HE LYS 48 0.877 -3.133 -5.656 373 HZ1 LYS 48 3HZ LYS 48 -1.315 -2.752 -6.516 374 HZ2 LYS 48 1HZ LYS 48 -0.386 -1.353 -6.764 375 HZ3 LYS 48 2HZ LYS 48 -1.531 -1.399 -5.509 376 H ALA 49 H ALA 49 -1.366 -3.041 1.225 377 HA ALA 49 HA ALA 49 -3.320 -4.928 2.012 378 HB1 ALA 49 3HB ALA 49 -1.258 -3.527 3.730 379 HB2 ALA 49 1HB ALA 49 -0.963 -4.981 2.776 380 HB3 ALA 49 2HB ALA 49 -2.096 -5.026 4.128 381 H LEU 50 H LEU 50 -2.586 -1.683 3.285 382 HA LEU 50 HA LEU 50 -4.650 -1.587 5.191 383 HB2 LEU 50 1HB LEU 50 -3.243 0.586 3.644 384 HB3 LEU 50 2HB LEU 50 -4.338 0.918 4.978 385 HG LEU 50 HG LEU 50 -1.909 -0.885 5.238 386 HD11 LEU 50 1HD1 LEU 50 -0.833 1.096 6.350 387 HD12 LEU 50 2HD1 LEU 50 -2.185 2.081 5.790 388 HD13 LEU 50 3HD1 LEU 50 -1.111 1.320 4.622 389 HD21 LEU 50 3HD2 LEU 50 -3.855 0.369 7.198 390 HD22 LEU 50 1HD2 LEU 50 -2.246 -0.126 7.715 391 HD23 LEU 50 2HD2 LEU 50 -3.364 -1.317 7.072 392 H TYR 51 H TYR 51 -4.574 -0.642 1.781 393 HA TYR 51 HA TYR 51 -7.165 0.504 1.704 394 HB2 TYR 51 1HB TYR 51 -5.719 1.019 -0.105 395 HB3 TYR 51 2HB TYR 51 -5.364 -0.678 -0.410 396 HD1 TYR 51 HD2 TYR 51 -8.321 1.640 -0.232 397 HD2 TYR 51 HD1 TYR 51 -6.511 -1.733 -2.189 398 HE1 TYR 51 HE2 TYR 51 -10.221 1.534 -1.822 399 HE2 TYR 51 HE1 TYR 51 -8.419 -1.838 -3.769 400 HH TYR 51 HH TYR 51 -11.107 -0.898 -3.466 401 H ASN 52 H ASN 52 -6.033 -2.786 0.882 402 HA ASN 52 HA ASN 52 -8.538 -3.820 0.157 403 HB2 ASN 52 1HB ASN 52 -6.201 -5.286 1.397 404 HB3 ASN 52 2HB ASN 52 -7.520 -6.012 0.481 405 HD21 ASN 52 2HD2 ASN 52 -7.680 -3.913 -1.557 406 HD22 ASN 52 1HD2 ASN 52 -6.279 -4.039 -2.506 407 H LEU 53 H LEU 53 -7.037 -3.326 3.254 408 HA LEU 53 HA LEU 53 -8.931 -4.935 4.729 409 HB2 LEU 53 1HB LEU 53 -6.658 -3.108 5.434 410 HB3 LEU 53 2HB LEU 53 -7.799 -3.555 6.699 411 HG LEU 53 HG LEU 53 -6.601 -5.739 4.965 412 HD11 LEU 53 1HD1 LEU 53 -4.666 -4.440 5.721 413 HD12 LEU 53 2HD1 LEU 53 -4.756 -5.969 6.596 414 HD13 LEU 53 3HD1 LEU 53 -5.269 -4.472 7.376 415 HD21 LEU 53 3HD2 LEU 53 -6.940 -7.063 7.008 416 HD22 LEU 53 1HD2 LEU 53 -8.439 -6.238 6.587 417 HD23 LEU 53 2HD2 LEU 53 -7.429 -5.614 7.887 418 H GLU 54 H GLU 54 -9.479 -2.293 3.059 419 HA GLU 54 HA GLU 54 -11.241 -0.809 3.018 420 HB2 GLU 54 1HB GLU 54 -12.076 -1.916 5.717 421 HB3 GLU 54 2HB GLU 54 -13.043 -0.970 4.609 422 HG2 GLU 54 1HG GLU 54 -12.993 -2.734 2.947 423 HG3 GLU 54 2HG GLU 54 -11.897 -3.690 3.942 424 H ARG 55 H ARG 55 -8.614 -0.349 4.324 425 HA ARG 55 HA ARG 55 -9.308 1.848 6.209 426 HB2 ARG 55 1HB ARG 55 -6.534 0.707 5.838 427 HB3 ARG 55 2HB ARG 55 -7.198 1.588 7.209 428 HG2 ARG 55 1HG ARG 55 -8.046 -1.198 6.361 429 HG3 ARG 55 2HG ARG 55 -6.967 -0.822 7.701 430 HD2 ARG 55 1HD ARG 55 -8.827 0.609 8.663 431 HD3 ARG 55 2HD ARG 55 -9.883 -0.071 7.426 432 HE ARG 55 HE ARG 55 -8.508 -2.093 8.943 433 HH11 ARG 55 1HH2 ARG 55 -11.181 0.098 8.842 434 HH12 ARG 55 2HH2 ARG 55 -12.170 -0.840 9.910 435 HH21 ARG 55 1HH1 ARG 55 -9.793 -3.330 10.345 436 HH22 ARG 55 2HH1 ARG 55 -11.384 -2.784 10.762 437 H TYR 56 H TYR 56 -9.929 2.917 4.090 438 HA TYR 56 HA TYR 56 -8.057 3.711 2.165 439 HB2 TYR 56 1HB TYR 56 -10.289 5.527 3.100 440 HB3 TYR 56 2HB TYR 56 -9.675 5.285 1.464 441 HD1 TYR 56 HD2 TYR 56 -10.224 3.218 0.200 442 HD2 TYR 56 HD1 TYR 56 -11.879 3.993 4.089 443 HE1 TYR 56 HE2 TYR 56 -11.928 1.453 -0.167 444 HE2 TYR 56 HE1 TYR 56 -13.578 2.229 3.718 445 HH TYR 56 HH TYR 56 -13.686 0.398 0.659 446 H GLU 57 H GLU 57 -8.919 5.141 5.293 447 HA GLU 57 HA GLU 57 -7.393 7.503 5.056 448 HB2 GLU 57 1HB GLU 57 -7.397 7.199 7.721 449 HB3 GLU 57 2HB GLU 57 -8.869 7.624 6.850 450 HG2 GLU 57 1HG GLU 57 -9.676 5.379 6.896 451 HG3 GLU 57 2HG GLU 57 -8.119 4.746 7.403 452 H GLU 58 H GLU 58 -6.591 4.379 6.571 453 HA GLU 58 HA GLU 58 -3.942 5.111 7.289 454 HB2 GLU 58 1HB GLU 58 -5.063 2.356 6.758 455 HB3 GLU 58 2HB GLU 58 -3.568 2.710 7.612 456 HG2 GLU 58 1HG GLU 58 -6.294 3.692 8.494 457 HG3 GLU 58 2HG GLU 58 -5.492 2.272 9.155 458 H ALA 59 H ALA 59 -5.329 3.592 4.421 459 HA ALA 59 HA ALA 59 -2.930 2.857 3.155 460 HB1 ALA 59 3HB ALA 59 -5.576 3.686 1.948 461 HB2 ALA 59 1HB ALA 59 -5.092 2.047 2.389 462 HB3 ALA 59 2HB ALA 59 -4.270 2.887 1.072 463 H VAL 60 H VAL 60 -4.843 5.850 2.882 464 HA VAL 60 HA VAL 60 -3.180 7.151 1.031 465 HB VAL 60 HB VAL 60 -5.014 8.242 3.183 466 HG11 VAL 60 1HG1 VAL 60 -4.884 10.377 1.790 467 HG12 VAL 60 2HG1 VAL 60 -3.470 9.675 1.004 468 HG13 VAL 60 3HG1 VAL 60 -3.441 10.011 2.735 469 HG21 VAL 60 3HG2 VAL 60 -5.355 8.205 0.166 470 HG22 VAL 60 1HG2 VAL 60 -6.586 8.524 1.392 471 HG23 VAL 60 2HG2 VAL 60 -5.934 6.899 1.200 472 H ASP 61 H ASP 61 -3.059 7.047 4.591 473 HA ASP 61 HA ASP 61 -1.024 8.922 4.994 474 HB2 ASP 61 1HB ASP 61 -2.420 7.863 6.779 475 HB3 ASP 61 2HB ASP 61 -1.473 6.389 6.585 476 H CYS 62 H CYS 62 -0.858 5.499 4.116 477 HA CYS 62 HA CYS 62 1.986 5.294 4.392 478 HB2 CYS 62 1HB CYS 62 0.609 3.288 4.465 479 HB3 CYS 62 2HB CYS 62 0.017 3.602 2.834 480 HG CYS 62 HG CYS 62 3.081 3.231 3.204 481 H TYR 63 H TYR 63 -0.208 5.778 1.618 482 HA TYR 63 HA TYR 63 1.784 5.855 -0.373 483 HB2 TYR 63 1HB TYR 63 -0.329 5.688 -1.326 484 HB3 TYR 63 2HB TYR 63 -1.062 6.756 -0.135 485 HD1 TYR 63 HD1 TYR 63 -0.780 9.238 -0.324 486 HD2 TYR 63 HD2 TYR 63 0.564 6.563 -3.394 487 HE1 TYR 63 HE1 TYR 63 -0.561 11.146 -1.885 488 HE2 TYR 63 HE2 TYR 63 0.787 8.475 -4.953 489 HH TYR 63 HH TYR 63 -0.515 10.979 -4.988 490 H ASN 64 H ASN 64 0.294 8.491 1.526 491 HA ASN 64 HA ASN 64 1.727 10.581 0.308 492 HB2 ASN 64 1HB ASN 64 -0.269 10.973 1.660 493 HB3 ASN 64 2HB ASN 64 0.574 10.403 3.100 494 HD21 ASN 64 2HD2 ASN 64 0.850 12.303 4.317 495 HD22 ASN 64 1HD2 ASN 64 1.582 13.714 3.725 496 H TYR 65 H TYR 65 2.487 8.393 2.944 497 HA TYR 65 HA TYR 65 4.734 9.774 3.937 498 HB2 TYR 65 1HB TYR 65 3.689 7.962 5.200 499 HB3 TYR 65 2HB TYR 65 4.126 6.806 3.947 500 HD1 TYR 65 HD1 TYR 65 5.464 9.086 6.544 501 HD2 TYR 65 HD2 TYR 65 6.357 5.912 3.784 502 HE1 TYR 65 HE1 TYR 65 7.668 8.757 7.631 503 HE2 TYR 65 HE2 TYR 65 8.556 5.580 4.874 504 HH TYR 65 HH TYR 65 10.115 6.745 6.236 505 H VAL 66 H VAL 66 4.414 7.207 1.501 506 HA VAL 66 HA VAL 66 7.145 6.878 0.924 507 HB VAL 66 HB VAL 66 4.708 6.494 -0.842 508 HG11 VAL 66 1HG1 VAL 66 6.322 4.987 -2.150 509 HG12 VAL 66 2HG1 VAL 66 7.626 5.811 -1.297 510 HG13 VAL 66 3HG1 VAL 66 6.553 6.723 -2.358 511 HG21 VAL 66 3HG2 VAL 66 6.457 4.601 0.755 512 HG22 VAL 66 1HG2 VAL 66 5.134 4.101 -0.299 513 HG23 VAL 66 2HG2 VAL 66 4.803 5.056 1.144 514 H ILE 67 H ILE 67 4.865 9.319 -0.116 515 HA ILE 67 HA ILE 67 6.765 10.433 -2.066 516 HB ILE 67 HB ILE 67 3.905 10.976 -1.318 517 HG12 ILE 67 1HG1 ILE 67 4.955 10.763 -4.142 518 HG13 ILE 67 2HG1 ILE 67 4.942 9.294 -3.171 519 HG21 ILE 67 1HG2 ILE 67 4.630 13.221 -1.473 520 HG22 ILE 67 2HG2 ILE 67 4.068 12.868 -3.106 521 HG23 ILE 67 3HG2 ILE 67 5.792 12.862 -2.748 522 HD11 ILE 67 3HD1 ILE 67 2.584 9.543 -2.734 523 HD12 ILE 67 1HD1 ILE 67 2.856 9.595 -4.478 524 HD13 ILE 67 2HD1 ILE 67 2.545 11.088 -3.588 525 H ASN 68 H ASN 68 5.706 10.953 1.211 526 HA ASN 68 HA ASN 68 6.642 13.652 1.426 527 HB2 ASN 68 1HB ASN 68 4.912 12.608 2.900 528 HB3 ASN 68 2HB ASN 68 6.177 11.629 3.628 529 HD21 ASN 68 2HD2 ASN 68 4.432 14.270 4.320 530 HD22 ASN 68 1HD2 ASN 68 5.582 15.199 5.155 531 H VAL 69 H VAL 69 7.807 10.969 3.408 532 HA VAL 69 HA VAL 69 10.304 12.005 3.972 533 HB VAL 69 HB VAL 69 9.531 10.110 5.195 534 HG11 VAL 69 1HG1 VAL 69 8.983 8.962 2.524 535 HG12 VAL 69 2HG1 VAL 69 8.226 8.621 4.059 536 HG13 VAL 69 3HG1 VAL 69 9.722 7.808 3.621 537 HG21 VAL 69 3HG2 VAL 69 11.849 9.086 3.524 538 HG22 VAL 69 1HG2 VAL 69 11.481 8.701 5.200 539 HG23 VAL 69 2HG2 VAL 69 12.021 10.321 4.765 540 H ILE 70 H ILE 70 9.366 10.022 1.191 541 HA ILE 70 HA ILE 70 12.025 10.512 -0.055 542 HB ILE 70 HB ILE 70 10.016 8.357 -0.757 543 HG12 ILE 70 1HG1 ILE 70 12.584 8.058 0.823 544 HG13 ILE 70 2HG1 ILE 70 10.989 8.131 1.567 545 HG21 ILE 70 1HG2 ILE 70 12.952 8.613 -1.433 546 HG22 ILE 70 2HG2 ILE 70 11.661 9.118 -2.515 547 HG23 ILE 70 3HG2 ILE 70 11.813 7.424 -2.062 548 HD11 ILE 70 3HD1 ILE 70 11.739 5.791 1.230 549 HD12 ILE 70 1HD1 ILE 70 11.819 6.086 -0.508 550 HD13 ILE 70 2HD1 ILE 70 10.266 6.155 0.329 551 H GLU 71 H GLU 71 12.083 11.734 -1.805 552 HA GLU 71 HA GLU 71 9.679 12.983 -2.827 553 HB2 GLU 71 1HB GLU 71 11.449 14.020 -4.454 554 HB3 GLU 71 2HB GLU 71 11.501 14.463 -2.749 555 HG2 GLU 71 1HG GLU 71 13.748 13.891 -3.675 556 HG3 GLU 71 2HG GLU 71 13.286 12.868 -2.324 557 H ASP 72 H ASP 72 10.240 10.019 -3.229 558 HA ASP 72 HA ASP 72 10.547 9.731 -6.113 559 HB2 ASP 72 1HB ASP 72 11.470 8.037 -4.591 560 HB3 ASP 72 2HB ASP 72 9.855 7.701 -3.972 561 H GLU 73 H GLU 73 8.700 11.121 -6.610 562 HA GLU 73 HA GLU 73 6.042 9.888 -6.174 563 HB2 GLU 73 1HB GLU 73 6.353 12.552 -7.534 564 HB3 GLU 73 2HB GLU 73 5.111 12.001 -6.412 565 HG2 GLU 73 1HG GLU 73 6.913 12.027 -4.612 566 HG3 GLU 73 2HG GLU 73 7.946 12.846 -5.776 567 H TYR 74 H TYR 74 8.515 9.853 -8.392 568 HA TYR 74 HA TYR 74 6.948 9.940 -10.826 569 HB2 TYR 74 1HB TYR 74 9.355 10.607 -10.729 570 HB3 TYR 74 2HB TYR 74 9.772 8.924 -10.405 571 HD1 TYR 74 HD2 TYR 74 7.899 11.076 -12.830 572 HD2 TYR 74 HD1 TYR 74 10.093 7.428 -12.234 573 HE1 TYR 74 HE2 TYR 74 7.779 10.605 -15.260 574 HE2 TYR 74 HE1 TYR 74 9.968 6.959 -14.667 575 HH TYR 74 HH TYR 74 8.592 7.555 -16.582 576 H ASN 75 H ASN 75 6.310 7.995 -8.649 577 HA ASN 75 HA ASN 75 6.735 5.412 -10.052 578 HB2 ASN 75 1HB ASN 75 5.932 6.132 -7.238 579 HB3 ASN 75 2HB ASN 75 5.806 4.487 -7.858 580 HD21 ASN 75 2HD2 ASN 75 8.413 5.351 -9.534 581 HD22 ASN 75 1HD2 ASN 75 9.645 5.074 -8.404 582 H LYS 76 H LYS 76 5.253 5.176 -11.576 583 HA LYS 76 HA LYS 76 2.646 6.228 -11.567 584 HB2 LYS 76 1HB LYS 76 3.992 3.988 -13.076 585 HB3 LYS 76 2HB LYS 76 2.281 4.327 -13.320 586 HG2 LYS 76 1HG LYS 76 3.579 5.516 -14.998 587 HG3 LYS 76 2HG LYS 76 2.862 6.686 -13.895 588 HD2 LYS 76 1HD LYS 76 4.945 7.006 -12.742 589 HD3 LYS 76 2HD LYS 76 5.683 5.628 -13.558 590 HE2 LYS 76 1HE LYS 76 6.462 7.693 -14.593 591 HE3 LYS 76 2HE LYS 76 5.413 6.846 -15.729 592 HZ1 LYS 76 3HZ LYS 76 3.957 8.506 -15.695 593 HZ2 LYS 76 1HZ LYS 76 5.129 9.428 -14.881 594 HZ3 LYS 76 2HZ LYS 76 3.952 8.580 -13.996 595 H ASP 77 H ASP 77 3.905 3.079 -10.524 596 HA ASP 77 HA ASP 77 1.436 1.826 -10.027 597 HB2 ASP 77 1HB ASP 77 4.166 1.468 -8.772 598 HB3 ASP 77 2HB ASP 77 2.796 0.417 -8.414 599 H VAL 78 H VAL 78 3.508 3.797 -7.923 600 HA VAL 78 HA VAL 78 1.936 3.528 -5.579 601 HB VAL 78 HB VAL 78 3.810 5.733 -6.450 602 HG11 VAL 78 1HG1 VAL 78 3.911 6.192 -3.945 603 HG12 VAL 78 2HG1 VAL 78 2.453 5.213 -3.804 604 HG13 VAL 78 3HG1 VAL 78 2.438 6.695 -4.766 605 HG21 VAL 78 3HG2 VAL 78 5.494 4.591 -5.206 606 HG22 VAL 78 1HG2 VAL 78 4.681 3.319 -6.117 607 HG23 VAL 78 2HG2 VAL 78 4.317 3.553 -4.409 608 H TRP 79 H TRP 79 2.014 6.124 -8.041 609 HA TRP 79 HA TRP 79 -0.063 7.682 -6.938 610 HB2 TRP 79 1HB TRP 79 1.206 7.455 -9.652 611 HB3 TRP 79 2HB TRP 79 -0.288 8.378 -9.510 612 HD1 TRP 79 HD1 TRP 79 3.400 8.529 -8.721 613 HE1 TRP 79 HE1 TRP 79 3.957 10.830 -7.700 614 HE3 TRP 79 HE3 TRP 79 -1.318 10.321 -7.970 615 HZ2 TRP 79 HZ2 TRP 79 2.581 13.130 -6.700 616 HZ3 TRP 79 HZ3 TRP 79 -1.668 12.568 -6.985 617 HH2 TRP 79 HH2 TRP 79 0.273 13.973 -6.350 618 H ALA 80 H ALA 80 -0.184 5.132 -9.437 619 HA ALA 80 HA ALA 80 -2.945 5.281 -9.915 620 HB1 ALA 80 3HB ALA 80 -1.025 2.951 -10.107 621 HB2 ALA 80 1HB ALA 80 -1.488 4.055 -11.403 622 HB3 ALA 80 2HB ALA 80 -2.673 2.933 -10.737 623 H ALA 81 H ALA 81 -1.081 3.382 -7.560 624 HA ALA 81 HA ALA 81 -3.121 1.790 -6.534 625 HB1 ALA 81 3HB ALA 81 -1.774 1.602 -4.526 626 HB2 ALA 81 1HB ALA 81 -0.878 3.060 -4.949 627 HB3 ALA 81 2HB ALA 81 -0.708 1.605 -5.931 628 H LYS 82 H LYS 82 -2.142 5.070 -5.564 629 HA LYS 82 HA LYS 82 -3.887 5.419 -3.421 630 HB2 LYS 82 1HB LYS 82 -2.017 6.975 -4.279 631 HB3 LYS 82 2HB LYS 82 -3.225 7.625 -5.383 632 HG2 LYS 82 1HG LYS 82 -4.679 7.832 -3.133 633 HG3 LYS 82 2HG LYS 82 -3.089 7.822 -2.371 634 HD2 LYS 82 1HD LYS 82 -2.409 9.724 -3.777 635 HD3 LYS 82 2HD LYS 82 -3.969 9.725 -4.556 636 HE2 LYS 82 1HE LYS 82 -4.146 11.414 -2.909 637 HE3 LYS 82 2HE LYS 82 -4.952 10.022 -2.183 638 HZ1 LYS 82 3HZ LYS 82 -3.549 10.634 -0.512 639 HZ2 LYS 82 1HZ LYS 82 -2.350 11.211 -1.558 640 HZ3 LYS 82 2HZ LYS 82 -2.543 9.538 -1.333 641 H ALA 83 H ALA 83 -4.443 5.806 -6.897 642 HA ALA 83 HA ALA 83 -6.910 7.072 -6.894 643 HB1 ALA 83 3HB ALA 83 -5.506 6.381 -8.912 644 HB2 ALA 83 1HB ALA 83 -7.251 6.185 -9.082 645 HB3 ALA 83 2HB ALA 83 -6.234 4.783 -8.755 646 H ASP 84 H ASP 84 -6.281 3.566 -6.756 647 HA ASP 84 HA ASP 84 -8.888 2.637 -6.618 648 HB2 ASP 84 1HB ASP 84 -6.390 1.609 -5.252 649 HB3 ASP 84 2HB ASP 84 -7.916 0.726 -5.282 650 H ALA 85 H ALA 85 -6.834 3.870 -3.992 651 HA ALA 85 HA ALA 85 -8.671 3.352 -1.891 652 HB1 ALA 85 3HB ALA 85 -6.553 5.507 -1.981 653 HB2 ALA 85 1HB ALA 85 -6.218 3.814 -1.612 654 HB3 ALA 85 2HB ALA 85 -7.256 4.759 -0.545 655 H LEU 86 H LEU 86 -8.113 6.138 -3.986 656 HA LEU 86 HA LEU 86 -9.989 7.848 -2.663 657 HB2 LEU 86 1HB LEU 86 -8.737 7.964 -5.414 658 HB3 LEU 86 2HB LEU 86 -9.711 9.251 -4.712 659 HG LEU 86 HG LEU 86 -7.203 8.141 -3.413 660 HD11 LEU 86 1HD1 LEU 86 -6.201 10.357 -4.196 661 HD12 LEU 86 2HD1 LEU 86 -7.586 10.495 -5.276 662 HD13 LEU 86 3HD1 LEU 86 -6.469 9.142 -5.444 663 HD21 LEU 86 3HD2 LEU 86 -8.417 9.228 -1.700 664 HD22 LEU 86 1HD2 LEU 86 -9.065 10.447 -2.796 665 HD23 LEU 86 2HD2 LEU 86 -7.380 10.517 -2.290 666 H ARG 87 H ARG 87 -10.145 5.543 -5.303 667 HA ARG 87 HA ARG 87 -12.634 6.323 -6.361 668 HB2 ARG 87 1HB ARG 87 -11.033 4.796 -7.493 669 HB3 ARG 87 2HB ARG 87 -11.432 3.552 -6.306 670 HG2 ARG 87 1HG ARG 87 -13.727 3.480 -7.032 671 HG3 ARG 87 2HG ARG 87 -13.506 4.898 -8.060 672 HD2 ARG 87 1HD ARG 87 -11.977 3.673 -9.493 673 HD3 ARG 87 2HD ARG 87 -12.033 2.284 -8.418 674 HE ARG 87 HE ARG 87 -14.664 2.843 -9.193 675 HH11 ARG 87 1HH2 ARG 87 -11.650 1.870 -10.593 676 HH12 ARG 87 2HH2 ARG 87 -12.383 0.974 -11.882 677 HH21 ARG 87 1HH1 ARG 87 -15.627 1.671 -10.875 678 HH22 ARG 87 2HH1 ARG 87 -14.636 0.862 -12.042 679 H TYR 88 H TYR 88 -11.834 4.875 -3.428 680 HA TYR 88 HA TYR 88 -14.693 4.363 -2.822 681 HB2 TYR 88 1HB TYR 88 -12.387 2.477 -2.274 682 HB3 TYR 88 2HB TYR 88 -13.990 2.315 -1.556 683 HD1 TYR 88 HD2 TYR 88 -15.992 1.981 -3.022 684 HD2 TYR 88 HD1 TYR 88 -11.987 1.826 -4.569 685 HE1 TYR 88 HE2 TYR 88 -16.824 0.850 -5.065 686 HE2 TYR 88 HE1 TYR 88 -12.821 0.696 -6.614 687 HH TYR 88 HH TYR 88 -14.697 -0.591 -7.365 688 H ILE 89 H ILE 89 -13.824 6.643 -2.031 689 HA ILE 89 HA ILE 89 -13.174 6.356 0.854 690 HB ILE 89 HB ILE 89 -11.244 7.260 -0.543 691 HG12 ILE 89 1HG1 ILE 89 -12.364 9.217 1.490 692 HG13 ILE 89 2HG1 ILE 89 -11.595 7.694 1.936 693 HG21 ILE 89 1HG2 ILE 89 -11.373 9.441 -1.493 694 HG22 ILE 89 2HG2 ILE 89 -12.906 9.789 -0.691 695 HG23 ILE 89 3HG2 ILE 89 -12.851 8.636 -2.020 696 HD11 ILE 89 3HD1 ILE 89 -9.546 8.404 0.709 697 HD12 ILE 89 1HD1 ILE 89 -9.946 9.489 2.041 698 HD13 ILE 89 2HD1 ILE 89 -10.315 9.958 0.381 699 H GLU 90 H GLU 90 -14.269 7.696 2.251 700 HA GLU 90 HA GLU 90 -16.850 8.536 1.542 701 HB2 GLU 90 1HB GLU 90 -16.891 9.628 3.746 702 HB3 GLU 90 2HB GLU 90 -16.204 8.008 3.846 703 HG2 GLU 90 1HG GLU 90 -13.921 9.011 3.727 704 HG3 GLU 90 2HG GLU 90 -14.651 10.614 3.759 705 H GLY 91 H GLY 91 -17.713 10.472 0.935 706 HA2 GLY 91 1HA GLY 91 -17.822 12.717 0.343 707 HA3 GLY 91 2HA GLY 91 -16.185 12.933 0.956 708 H LYS 92 H LYS 92 -17.778 11.096 -1.674 709 HA LYS 92 HA LYS 92 -15.492 11.251 -3.391 710 HB2 LYS 92 1HB LYS 92 -18.378 10.520 -3.947 711 HB3 LYS 92 2HB LYS 92 -17.074 10.379 -5.126 712 HG2 LYS 92 1HG LYS 92 -15.859 8.859 -3.610 713 HG3 LYS 92 2HG LYS 92 -17.162 8.996 -2.428 714 HD2 LYS 92 1HD LYS 92 -18.751 8.059 -4.076 715 HD3 LYS 92 2HD LYS 92 -17.440 7.901 -5.245 716 HE2 LYS 92 1HE LYS 92 -16.245 6.384 -3.703 717 HE3 LYS 92 2HE LYS 92 -17.559 6.534 -2.538 718 HZ1 LYS 92 3HZ LYS 92 -19.068 5.561 -4.119 719 HZ2 LYS 92 1HZ LYS 92 -17.738 4.530 -3.915 720 HZ3 LYS 92 2HZ LYS 92 -17.855 5.495 -5.307 721 H GLU 93 H GLU 93 -14.933 12.766 -4.804 722 HA GLU 93 HA GLU 93 -16.890 14.817 -5.660 723 HB2 GLU 93 1HB GLU 93 -14.156 15.376 -4.467 724 HB3 GLU 93 2HB GLU 93 -15.153 16.576 -5.286 725 HG2 GLU 93 1HG GLU 93 -16.016 15.012 -2.832 726 HG3 GLU 93 2HG GLU 93 -15.384 16.655 -2.802 727 H VAL 94 H VAL 94 -13.420 14.982 -6.092 728 HA VAL 94 HA VAL 94 -13.665 14.031 -8.884 729 HB VAL 94 HB VAL 94 -12.301 15.984 -9.623 730 HG11 VAL 94 1HG1 VAL 94 -14.170 17.555 -9.659 731 HG12 VAL 94 2HG1 VAL 94 -14.926 16.728 -8.297 732 HG13 VAL 94 3HG1 VAL 94 -14.785 15.914 -9.856 733 HG21 VAL 94 3HG2 VAL 94 -12.185 17.948 -8.134 734 HG22 VAL 94 1HG2 VAL 94 -11.357 16.571 -7.409 735 HG23 VAL 94 2HG2 VAL 94 -12.966 17.027 -6.850 736 H GLU 95 H GLU 95 -12.221 13.637 -6.017 737 HA GLU 95 HA GLU 95 -9.455 13.611 -6.559 738 HB2 GLU 95 1HB GLU 95 -11.134 11.976 -4.639 739 HB3 GLU 95 2HB GLU 95 -9.372 11.941 -4.660 740 HG2 GLU 95 1HG GLU 95 -9.266 14.321 -4.180 741 HG3 GLU 95 2HG GLU 95 -11.018 14.460 -4.300 742 H ALA 96 H ALA 96 -11.836 10.937 -6.683 743 HA ALA 96 HA ALA 96 -10.077 8.965 -7.620 744 HB1 ALA 96 3HB ALA 96 -12.019 7.691 -8.180 745 HB2 ALA 96 1HB ALA 96 -13.012 9.144 -8.335 746 HB3 ALA 96 2HB ALA 96 -12.438 8.638 -6.747 747 H GLU 97 H GLU 97 -12.008 11.371 -9.364 748 HA GLU 97 HA GLU 97 -11.491 10.356 -11.968 749 HB2 GLU 97 1HB GLU 97 -13.319 11.949 -11.418 750 HB3 GLU 97 2HB GLU 97 -12.110 13.202 -11.137 751 HG2 GLU 97 1HG GLU 97 -11.345 13.020 -13.462 752 HG3 GLU 97 2HG GLU 97 -12.495 11.715 -13.754 753 H ILE 98 H ILE 98 -9.988 13.035 -10.137 754 HA ILE 98 HA ILE 98 -8.039 13.683 -12.073 755 HB ILE 98 HB ILE 98 -8.058 14.038 -9.062 756 HG12 ILE 98 1HG1 ILE 98 -8.477 16.069 -11.279 757 HG13 ILE 98 2HG1 ILE 98 -9.807 15.212 -10.503 758 HG21 ILE 98 1HG2 ILE 98 -6.135 15.064 -11.174 759 HG22 ILE 98 2HG2 ILE 98 -5.742 14.141 -9.723 760 HG23 ILE 98 3HG2 ILE 98 -6.284 15.810 -9.582 761 HD11 ILE 98 3HD1 ILE 98 -9.169 16.114 -8.326 762 HD12 ILE 98 1HD1 ILE 98 -9.381 17.440 -9.469 763 HD13 ILE 98 2HD1 ILE 98 -7.759 16.899 -9.036 764 H ALA 99 H ALA 99 -7.955 11.455 -9.284 765 HA ALA 99 HA ALA 99 -5.235 10.736 -9.547 766 HB1 ALA 99 3HB ALA 99 -7.526 9.099 -8.438 767 HB2 ALA 99 1HB ALA 99 -6.587 10.286 -7.532 768 HB3 ALA 99 2HB ALA 99 -5.810 8.822 -8.138 769 H GLU 100 H GLU 100 -8.182 9.039 -10.635 770 HA GLU 100 HA GLU 100 -6.893 6.931 -11.957 771 HB2 GLU 100 1HB GLU 100 -9.339 7.044 -11.454 772 HB3 GLU 100 2HB GLU 100 -9.514 8.227 -12.750 773 HG2 GLU 100 1HG GLU 100 -8.685 6.607 -14.386 774 HG3 GLU 100 2HG GLU 100 -8.399 5.430 -13.107 775 H ALA 101 H ALA 101 -7.842 10.144 -13.132 776 HA ALA 101 HA ALA 101 -6.975 9.672 -15.831 777 HB1 ALA 101 3HB ALA 101 -7.408 12.011 -16.188 778 HB2 ALA 101 1HB ALA 101 -7.380 12.334 -14.455 779 HB3 ALA 101 2HB ALA 101 -8.688 11.377 -15.153 780 H ARG 102 H ARG 102 -5.603 11.474 -13.087 781 HA ARG 102 HA ARG 102 -3.241 12.328 -14.369 782 HB2 ARG 102 1HB ARG 102 -4.066 13.278 -12.239 783 HB3 ARG 102 2HB ARG 102 -3.664 11.767 -11.421 784 HG2 ARG 102 1HG ARG 102 -1.307 12.049 -11.957 785 HG3 ARG 102 2HG ARG 102 -1.663 13.476 -12.929 786 HD2 ARG 102 1HD ARG 102 -2.261 13.252 -9.966 787 HD3 ARG 102 2HD ARG 102 -0.806 13.995 -10.622 788 HE ARG 102 HE ARG 102 -2.992 15.224 -11.864 789 HH11 ARG 102 1HH2 ARG 102 -1.633 14.821 -8.706 790 HH12 ARG 102 2HH2 ARG 102 -2.221 16.336 -8.108 791 HH21 ARG 102 1HH1 ARG 102 -3.764 17.220 -11.083 792 HH22 ARG 102 2HH1 ARG 102 -3.425 17.693 -9.451 793 H ALA 103 H ALA 103 -4.010 9.367 -12.586 794 HA ALA 103 HA ALA 103 -1.421 8.302 -12.381 795 HB1 ALA 103 3HB ALA 103 -4.034 6.818 -12.747 796 HB2 ALA 103 1HB ALA 103 -3.386 7.379 -11.206 797 HB3 ALA 103 2HB ALA 103 -2.534 6.135 -12.120 798 H LYS 104 H LYS 104 -3.802 8.127 -14.987 799 HA LYS 104 HA LYS 104 -2.430 6.285 -16.631 800 HB2 LYS 104 1HB LYS 104 -4.551 8.366 -17.087 801 HB3 LYS 104 2HB LYS 104 -3.818 7.592 -18.485 802 HG2 LYS 104 1HG LYS 104 -4.884 5.898 -16.211 803 HG3 LYS 104 2HG LYS 104 -5.991 6.543 -17.421 804 HD2 LYS 104 1HD LYS 104 -4.587 5.491 -19.211 805 HD3 LYS 104 2HD LYS 104 -3.589 4.758 -17.958 806 HE2 LYS 104 1HE LYS 104 -5.241 3.137 -18.658 807 HE3 LYS 104 2HE LYS 104 -5.657 3.681 -17.031 808 HZ1 LYS 104 3HZ LYS 104 -7.466 4.792 -17.761 809 HZ2 LYS 104 1HZ LYS 104 -7.404 3.642 -19.005 810 HZ3 LYS 104 2HZ LYS 104 -6.770 5.197 -19.256 811 H LEU 105 H LEU 105 -2.238 9.793 -16.341 812 HA LEU 105 HA LEU 105 -0.776 10.449 -18.583 813 HB2 LEU 105 1HB LEU 105 -1.595 11.933 -16.600 814 HB3 LEU 105 2HB LEU 105 -0.021 11.597 -15.892 815 HG LEU 105 HG LEU 105 -0.482 12.809 -18.640 816 HD11 LEU 105 1HD1 LEU 105 0.438 14.063 -16.038 817 HD12 LEU 105 2HD1 LEU 105 -1.124 14.321 -16.814 818 HD13 LEU 105 3HD1 LEU 105 0.352 14.887 -17.595 819 HD21 LEU 105 3HD2 LEU 105 2.003 12.059 -17.076 820 HD22 LEU 105 1HD2 LEU 105 2.053 13.360 -18.265 821 HD23 LEU 105 2HD2 LEU 105 1.622 11.732 -18.770 822 H GLU 106 H GLU 106 0.631 8.844 -19.224 823 HA GLU 106 HA GLU 106 2.952 8.231 -17.472 824 HB2 GLU 106 1HB GLU 106 1.589 6.307 -18.313 825 HB3 GLU 106 2HB GLU 106 2.030 6.767 -19.956 826 HG2 GLU 106 1HG GLU 106 4.406 6.477 -19.433 827 HG3 GLU 106 2HG GLU 106 4.010 6.104 -17.757 828 H HIS 107 H HIS 107 2.606 8.148 -21.004 829 HA HIS 107 HA HIS 107 5.212 9.333 -21.356 830 HB2 HIS 107 1HB HIS 107 4.756 9.088 -23.752 831 HB3 HIS 107 2HB HIS 107 4.377 7.598 -22.892 832 HD1 HIS 107 HD1 HIS 107 1.842 7.002 -22.590 833 HD2 HIS 107 HD2 HIS 107 2.531 10.390 -24.919 834 HE1 HIS 107 HE1 HIS 107 -0.338 7.514 -23.774 835 HE2 HIS 107 HE2 HIS 107 0.066 9.577 -25.197 836 H HIS 108 H HIS 108 5.614 11.271 -22.589 837 HA HIS 108 HA HIS 108 3.441 13.208 -22.873 838 HB2 HIS 108 1HB HIS 108 4.152 13.458 -20.511 839 HB3 HIS 108 2HB HIS 108 5.803 13.754 -21.056 840 HD1 HIS 108 HD1 HIS 108 6.297 16.013 -22.231 841 HD2 HIS 108 HD2 HIS 108 2.338 15.607 -20.989 842 HE1 HIS 108 HE1 HIS 108 5.246 18.308 -22.427 843 HE2 HIS 108 HE2 HIS 108 2.832 18.078 -21.673 844 H HIS 109 H HIS 109 6.994 13.338 -22.603 845 HA HIS 109 HA HIS 109 8.580 14.244 -24.002 846 HB2 HIS 109 1HB HIS 109 6.783 12.856 -26.008 847 HB3 HIS 109 2HB HIS 109 8.389 13.485 -26.380 848 HD1 HIS 109 HD1 HIS 109 8.423 10.639 -26.818 849 HD2 HIS 109 HD2 HIS 109 8.755 12.112 -22.934 850 HE1 HIS 109 HE1 HIS 109 9.462 8.787 -25.437 851 HE2 HIS 109 HE2 HIS 109 9.670 9.671 -23.065 852 H HIS 110 H HIS 110 6.426 14.546 -26.681 853 HA HIS 110 HA HIS 110 5.722 16.379 -27.866 854 HB2 HIS 110 1HB HIS 110 4.132 16.497 -25.988 855 HB3 HIS 110 2HB HIS 110 5.272 17.490 -25.083 856 HD1 HIS 110 HD1 HIS 110 4.489 19.853 -25.180 857 HD2 HIS 110 HD2 HIS 110 3.974 17.915 -28.835 858 HE1 HIS 110 HE1 HIS 110 3.583 21.587 -26.789 859 HE2 HIS 110 HE2 HIS 110 3.265 20.421 -29.022 860 H HIS 111 H HIS 111 6.893 18.272 -25.134 861 HA HIS 111 HA HIS 111 8.445 19.961 -25.005 862 HB2 HIS 111 1HB HIS 111 9.978 18.028 -25.205 863 HB3 HIS 111 2HB HIS 111 9.949 18.205 -26.960 864 HD1 HIS 111 HD1 HIS 111 11.042 20.391 -27.955 865 HD2 HIS 111 HD2 HIS 111 11.609 19.887 -23.857 866 HE1 HIS 111 HE1 HIS 111 12.864 22.015 -27.278 867 HE2 HIS 111 HE2 HIS 111 13.222 21.720 -24.783 868 H HIS 112 H HIS 112 7.684 21.805 -25.855 869 HA HIS 112 HA HIS 112 6.842 22.289 -28.446 870 HB2 HIS 112 1HB HIS 112 8.114 24.200 -26.472 871 HB3 HIS 112 2HB HIS 112 7.266 24.696 -27.938 872 HD1 HIS 112 HD1 HIS 112 6.690 23.246 -24.528 873 HD2 HIS 112 HD2 HIS 112 4.433 24.345 -27.857 874 HE1 HIS 112 HE1 HIS 112 4.266 23.223 -23.790 875 HE2 HIS 112 HE2 HIS 112 2.878 23.891 -25.807 Start of MODEL 6 1 H1 MET 1 1H MET 1 26.278 -2.090 13.596 2 H2 MET 1 2H MET 1 26.516 -3.771 13.636 3 H3 MET 1 3H MET 1 25.809 -2.977 14.961 4 HA MET 1 HA MET 1 24.013 -3.962 13.884 5 HB2 MET 1 1HB MET 1 24.300 -1.112 12.876 6 HB3 MET 1 2HB MET 1 22.788 -2.021 12.922 7 HG2 MET 1 1HG MET 1 22.786 -0.703 14.911 8 HG3 MET 1 2HG MET 1 23.227 -2.325 15.442 9 HE1 MET 1 3HE MET 1 25.282 0.058 17.748 10 HE2 MET 1 1HE MET 1 24.068 -1.227 17.654 11 HE3 MET 1 2HE MET 1 23.699 0.387 17.051 12 H VAL 2 H VAL 2 24.847 -5.552 12.452 13 HA VAL 2 HA VAL 2 25.843 -5.016 9.862 14 HB VAL 2 HB VAL 2 25.330 -7.403 9.405 15 HG11 VAL 2 1HG1 VAL 2 26.743 -8.324 11.246 16 HG12 VAL 2 2HG1 VAL 2 26.576 -6.791 12.103 17 HG13 VAL 2 3HG1 VAL 2 27.410 -6.847 10.550 18 HG21 VAL 2 3HG2 VAL 2 23.954 -7.186 12.101 19 HG22 VAL 2 1HG2 VAL 2 24.407 -8.725 11.369 20 HG23 VAL 2 2HG2 VAL 2 23.238 -7.680 10.568 21 H ASP 3 H ASP 3 22.569 -5.642 11.067 22 HA ASP 3 HA ASP 3 20.510 -5.471 10.082 23 HB2 ASP 3 1HB ASP 3 22.037 -3.325 8.596 24 HB3 ASP 3 2HB ASP 3 20.293 -3.545 8.462 25 H GLN 4 H GLN 4 20.763 -7.627 9.196 26 HA GLN 4 HA GLN 4 21.733 -8.074 6.550 27 HB2 GLN 4 1HB GLN 4 19.821 -9.735 8.212 28 HB3 GLN 4 2HB GLN 4 20.675 -10.283 6.769 29 HG2 GLN 4 1HG GLN 4 22.025 -9.294 9.298 30 HG3 GLN 4 2HG GLN 4 21.805 -10.990 8.881 31 HE21 GLN 4 2HE2 GLN 4 24.209 -8.831 8.937 32 HE22 GLN 4 1HE2 GLN 4 25.067 -9.264 7.539 33 H ASN 5 H ASN 5 20.753 -7.865 4.635 34 HA ASN 5 HA ASN 5 18.371 -6.402 4.388 35 HB2 ASN 5 1HB ASN 5 18.547 -6.992 1.955 36 HB3 ASN 5 2HB ASN 5 20.024 -6.324 2.648 37 HD21 ASN 5 2HD2 ASN 5 21.901 -7.607 2.531 38 HD22 ASN 5 1HD2 ASN 5 21.916 -9.214 1.986 39 HA PRO 6 HA PRO 6 15.322 -9.612 4.654 40 HB2 PRO 6 1HB PRO 6 13.264 -8.535 3.141 41 HB3 PRO 6 2HB PRO 6 13.672 -7.975 4.774 42 HG2 PRO 6 1HG PRO 6 14.430 -6.796 2.132 43 HG3 PRO 6 2HG PRO 6 13.910 -5.978 3.615 44 HD2 PRO 6 1HD PRO 6 16.542 -6.136 2.874 45 HD3 PRO 6 2HD PRO 6 16.035 -6.095 4.577 46 H GLU 7 H GLU 7 14.201 -8.653 1.508 47 HA GLU 7 HA GLU 7 14.224 -9.642 -0.555 48 HB2 GLU 7 1HB GLU 7 16.578 -11.286 0.427 49 HB3 GLU 7 2HB GLU 7 16.079 -11.025 -1.236 50 HG2 GLU 7 1HG GLU 7 16.505 -8.627 -1.038 51 HG3 GLU 7 2HG GLU 7 16.946 -8.825 0.657 52 H GLU 8 H GLU 8 14.842 -11.960 2.066 53 HA GLU 8 HA GLU 8 13.333 -14.073 0.804 54 HB2 GLU 8 1HB GLU 8 14.439 -13.758 3.596 55 HB3 GLU 8 2HB GLU 8 13.623 -15.210 3.013 56 HG2 GLU 8 1HG GLU 8 15.280 -15.460 1.227 57 HG3 GLU 8 2HG GLU 8 16.084 -13.977 1.742 58 H TYR 9 H TYR 9 12.722 -11.625 3.253 59 HA TYR 9 HA TYR 9 10.315 -12.546 4.310 60 HB2 TYR 9 1HB TYR 9 11.475 -9.783 3.977 61 HB3 TYR 9 2HB TYR 9 9.875 -10.000 4.668 62 HD1 TYR 9 HD2 TYR 9 13.458 -10.902 5.062 63 HD2 TYR 9 HD1 TYR 9 9.600 -10.787 6.915 64 HE1 TYR 9 HE2 TYR 9 14.506 -11.436 7.249 65 HE2 TYR 9 HE1 TYR 9 10.633 -11.373 9.089 66 HH TYR 9 HH TYR 9 14.162 -11.618 9.450 67 H TYR 10 H TYR 10 10.926 -11.870 1.131 68 HA TYR 10 HA TYR 10 8.523 -10.555 0.328 69 HB2 TYR 10 1HB TYR 10 9.377 -10.707 -1.810 70 HB3 TYR 10 2HB TYR 10 10.853 -11.018 -0.905 71 HD1 TYR 10 HD2 TYR 10 11.380 -13.507 -0.317 72 HD2 TYR 10 HD1 TYR 10 8.576 -12.338 -3.334 73 HE1 TYR 10 HE2 TYR 10 11.540 -15.763 -1.322 74 HE2 TYR 10 HE1 TYR 10 8.713 -14.594 -4.335 75 HH TYR 10 HH TYR 10 10.839 -16.530 -4.196 76 H LEU 11 H LEU 11 9.084 -13.681 1.459 77 HA LEU 11 HA LEU 11 7.489 -15.372 -0.025 78 HB2 LEU 11 1HB LEU 11 7.580 -16.815 1.826 79 HB3 LEU 11 2HB LEU 11 8.955 -15.769 2.132 80 HG LEU 11 HG LEU 11 7.852 -15.885 4.231 81 HD11 LEU 11 1HD1 LEU 11 7.858 -13.682 4.652 82 HD12 LEU 11 2HD1 LEU 11 6.368 -13.424 3.764 83 HD13 LEU 11 3HD1 LEU 11 7.895 -13.395 2.946 84 HD21 LEU 11 3HD2 LEU 11 5.676 -16.382 4.544 85 HD22 LEU 11 1HD2 LEU 11 5.540 -16.593 2.803 86 HD23 LEU 11 2HD2 LEU 11 5.137 -15.047 3.541 87 H GLU 12 H GLU 12 6.590 -12.550 1.612 88 HA GLU 12 HA GLU 12 4.025 -13.226 2.532 89 HB2 GLU 12 1HB GLU 12 5.129 -11.194 3.242 90 HB3 GLU 12 2HB GLU 12 5.174 -10.587 1.589 91 HG2 GLU 12 1HG GLU 12 2.694 -10.524 1.554 92 HG3 GLU 12 2HG GLU 12 2.667 -11.139 3.203 93 H GLY 13 H GLY 13 5.065 -11.706 -0.472 94 HA2 GLY 13 1HA GLY 13 2.794 -11.257 -1.856 95 HA3 GLY 13 2HA GLY 13 4.190 -12.009 -2.623 96 H VAL 14 H VAL 14 3.986 -14.430 -0.934 97 HA VAL 14 HA VAL 14 2.073 -15.899 -2.538 98 HB VAL 14 HB VAL 14 3.820 -16.831 -0.249 99 HG11 VAL 14 1HG1 VAL 14 3.483 -19.058 -1.378 100 HG12 VAL 14 2HG1 VAL 14 2.264 -18.294 -2.398 101 HG13 VAL 14 3HG1 VAL 14 2.018 -18.394 -0.654 102 HG21 VAL 14 3HG2 VAL 14 4.276 -16.980 -3.242 103 HG22 VAL 14 1HG2 VAL 14 5.366 -17.565 -1.985 104 HG23 VAL 14 2HG2 VAL 14 5.075 -15.834 -2.165 105 H LEU 15 H LEU 15 2.531 -15.328 0.954 106 HA LEU 15 HA LEU 15 0.366 -16.655 1.990 107 HB2 LEU 15 1HB LEU 15 1.353 -13.906 2.803 108 HB3 LEU 15 2HB LEU 15 0.278 -14.907 3.773 109 HG LEU 15 HG LEU 15 3.074 -15.683 2.890 110 HD11 LEU 15 1HD1 LEU 15 1.998 -14.856 5.613 111 HD12 LEU 15 2HD1 LEU 15 3.033 -13.863 4.591 112 HD13 LEU 15 3HD1 LEU 15 3.650 -15.363 5.286 113 HD21 LEU 15 3HD2 LEU 15 2.546 -17.431 4.859 114 HD22 LEU 15 1HD2 LEU 15 2.070 -17.753 3.197 115 HD23 LEU 15 2HD2 LEU 15 0.880 -17.146 4.345 116 H GLN 16 H GLN 16 0.180 -13.157 1.259 117 HA GLN 16 HA GLN 16 -2.532 -12.834 1.465 118 HB2 GLN 16 1HB GLN 16 -0.640 -11.597 -0.552 119 HB3 GLN 16 2HB GLN 16 -2.286 -11.027 -0.274 120 HG2 GLN 16 1HG GLN 16 -1.732 -10.643 2.113 121 HG3 GLN 16 2HG GLN 16 -0.080 -11.172 1.803 122 HE21 GLN 16 2HE2 GLN 16 1.219 -9.324 1.777 123 HE22 GLN 16 1HE2 GLN 16 0.830 -7.880 0.977 124 H TYR 17 H TYR 17 -0.811 -13.702 -1.561 125 HA TYR 17 HA TYR 17 -3.033 -14.055 -3.193 126 HB2 TYR 17 1HB TYR 17 -0.205 -14.829 -3.235 127 HB3 TYR 17 2HB TYR 17 -1.184 -16.094 -3.965 128 HD1 TYR 17 HD2 TYR 17 -2.548 -15.655 -5.942 129 HD2 TYR 17 HD1 TYR 17 -0.042 -12.615 -4.238 130 HE1 TYR 17 HE2 TYR 17 -2.779 -14.313 -8.008 131 HE2 TYR 17 HE1 TYR 17 -0.275 -11.264 -6.303 132 HH TYR 17 HH TYR 17 -0.935 -12.179 -9.019 133 H ASP 18 H ASP 18 -1.294 -16.698 -1.494 134 HA ASP 18 HA ASP 18 -3.454 -18.545 -1.944 135 HB2 ASP 18 1HB ASP 18 -0.987 -18.721 -0.192 136 HB3 ASP 18 2HB ASP 18 -2.107 -20.050 -0.491 137 H ALA 19 H ALA 19 -1.948 -17.756 1.153 138 HA ALA 19 HA ALA 19 -4.339 -18.276 2.628 139 HB1 ALA 19 3HB ALA 19 -3.077 -17.705 4.568 140 HB2 ALA 19 1HB ALA 19 -1.936 -16.735 3.634 141 HB3 ALA 19 2HB ALA 19 -1.941 -18.491 3.475 142 H GLY 20 H GLY 20 -6.057 -16.982 2.637 143 HA2 GLY 20 1HA GLY 20 -5.930 -14.187 1.908 144 HA3 GLY 20 2HA GLY 20 -7.370 -15.093 2.360 145 H ASN 21 H ASN 21 -4.314 -14.216 3.977 146 HA ASN 21 HA ASN 21 -5.892 -13.141 6.266 147 HB2 ASN 21 1HB ASN 21 -3.994 -13.855 7.686 148 HB3 ASN 21 2HB ASN 21 -4.849 -15.200 6.951 149 HD21 ASN 21 2HD2 ASN 21 -3.102 -16.683 6.808 150 HD22 ASN 21 1HD2 ASN 21 -1.711 -16.391 5.880 151 H TYR 22 H TYR 22 -5.468 -11.351 4.419 152 HA TYR 22 HA TYR 22 -3.112 -10.015 4.067 153 HB2 TYR 22 1HB TYR 22 -5.806 -8.810 4.707 154 HB3 TYR 22 2HB TYR 22 -4.462 -7.912 4.014 155 HD1 TYR 22 HD1 TYR 22 -3.595 -8.519 1.739 156 HD2 TYR 22 HD2 TYR 22 -7.155 -10.287 3.369 157 HE1 TYR 22 HE1 TYR 22 -4.250 -9.293 -0.526 158 HE2 TYR 22 HE2 TYR 22 -7.807 -11.059 1.108 159 HH TYR 22 HH TYR 22 -7.395 -10.694 -1.148 160 H THR 23 H THR 23 -5.170 -9.977 6.954 161 HA THR 23 HA THR 23 -3.871 -7.965 8.396 162 HB THR 23 HB THR 23 -6.011 -8.996 9.100 163 HG1 THR 23 HG1 THR 23 -4.879 -7.952 10.689 164 HG21 THR 23 3HG2 THR 23 -6.179 -11.199 9.936 165 HG22 THR 23 1HG2 THR 23 -4.443 -11.333 10.179 166 HG23 THR 23 2HG2 THR 23 -5.110 -11.397 8.548 167 H GLU 24 H GLU 24 -3.274 -11.495 8.451 168 HA GLU 24 HA GLU 24 -1.162 -11.516 10.265 169 HB2 GLU 24 1HB GLU 24 -1.718 -13.266 7.869 170 HB3 GLU 24 2HB GLU 24 -0.382 -13.589 8.966 171 HG2 GLU 24 1HG GLU 24 -1.909 -13.800 10.844 172 HG3 GLU 24 2HG GLU 24 -3.279 -13.348 9.840 173 H SER 25 H SER 25 -1.070 -10.996 6.758 174 HA SER 25 HA SER 25 1.625 -10.991 6.259 175 HB2 SER 25 1HB SER 25 1.167 -9.710 4.349 176 HB3 SER 25 2HB SER 25 -0.404 -10.407 4.704 177 HG SER 25 HG SER 25 -0.697 -8.395 6.000 178 H ILE 26 H ILE 26 -0.156 -8.709 8.173 179 HA ILE 26 HA ILE 26 1.546 -6.475 8.154 180 HB ILE 26 HB ILE 26 -0.155 -7.613 10.394 181 HG12 ILE 26 1HG1 ILE 26 -0.615 -5.215 8.592 182 HG13 ILE 26 2HG1 ILE 26 -1.261 -6.817 8.247 183 HG21 ILE 26 1HG2 ILE 26 1.455 -6.239 11.499 184 HG22 ILE 26 2HG2 ILE 26 0.035 -5.212 11.304 185 HG23 ILE 26 3HG2 ILE 26 1.412 -5.029 10.218 186 HD11 ILE 26 3HD1 ILE 26 -2.434 -6.794 10.441 187 HD12 ILE 26 1HD1 ILE 26 -2.955 -5.472 9.395 188 HD13 ILE 26 2HD1 ILE 26 -1.837 -5.159 10.722 189 H ASP 27 H ASP 27 1.669 -9.459 10.118 190 HA ASP 27 HA ASP 27 3.774 -8.724 11.800 191 HB2 ASP 27 1HB ASP 27 2.417 -10.730 12.152 192 HB3 ASP 27 2HB ASP 27 3.071 -11.445 10.683 193 H LEU 28 H LEU 28 3.870 -10.498 8.708 194 HA LEU 28 HA LEU 28 6.686 -10.652 8.592 195 HB2 LEU 28 1HB LEU 28 4.470 -10.932 6.586 196 HB3 LEU 28 2HB LEU 28 6.120 -10.840 5.989 197 HG LEU 28 HG LEU 28 5.340 -13.189 6.321 198 HD11 LEU 28 1HD1 LEU 28 7.362 -13.973 7.112 199 HD12 LEU 28 2HD1 LEU 28 7.481 -12.791 8.405 200 HD13 LEU 28 3HD1 LEU 28 7.809 -12.317 6.739 201 HD21 LEU 28 3HD2 LEU 28 3.872 -12.682 8.293 202 HD22 LEU 28 1HD2 LEU 28 5.326 -12.492 9.277 203 HD23 LEU 28 2HD2 LEU 28 4.952 -14.054 8.552 204 H PHE 29 H PHE 29 4.427 -8.273 7.230 205 HA PHE 29 HA PHE 29 6.336 -6.745 5.852 206 HB2 PHE 29 1HB PHE 29 4.028 -6.313 5.416 207 HB3 PHE 29 2HB PHE 29 3.685 -6.019 7.113 208 HD1 PHE 29 HD1 PHE 29 4.384 -3.912 8.207 209 HD2 PHE 29 HD2 PHE 29 5.072 -4.608 4.027 210 HE1 PHE 29 HE1 PHE 29 4.836 -1.492 7.880 211 HE2 PHE 29 HE2 PHE 29 5.528 -2.211 3.714 212 HZ PHE 29 HZ PHE 29 5.408 -0.640 5.623 213 H GLU 30 H GLU 30 5.085 -6.348 9.179 214 HA GLU 30 HA GLU 30 6.541 -4.103 9.907 215 HB2 GLU 30 1HB GLU 30 4.777 -5.169 11.295 216 HB3 GLU 30 2HB GLU 30 5.887 -6.487 11.660 217 HG2 GLU 30 1HG GLU 30 7.453 -4.887 12.706 218 HG3 GLU 30 2HG GLU 30 6.356 -3.563 12.320 219 H LYS 31 H LYS 31 7.541 -7.492 9.803 220 HA LYS 31 HA LYS 31 10.060 -7.079 11.085 221 HB2 LYS 31 1HB LYS 31 9.070 -9.280 9.267 222 HB3 LYS 31 2HB LYS 31 10.643 -9.293 10.067 223 HG2 LYS 31 1HG LYS 31 9.586 -9.188 12.264 224 HG3 LYS 31 2HG LYS 31 8.002 -9.027 11.527 225 HD2 LYS 31 1HD LYS 31 8.023 -11.325 12.010 226 HD3 LYS 31 2HD LYS 31 8.621 -11.337 10.356 227 HE2 LYS 31 1HE LYS 31 10.135 -12.736 11.542 228 HE3 LYS 31 2HE LYS 31 10.990 -11.200 11.421 229 HZ1 LYS 31 3HZ LYS 31 10.462 -10.659 13.621 230 HZ2 LYS 31 1HZ LYS 31 10.935 -12.286 13.679 231 HZ3 LYS 31 2HZ LYS 31 9.286 -11.878 13.742 232 H ALA 32 H ALA 32 9.109 -7.355 7.663 233 HA ALA 32 HA ALA 32 11.647 -7.128 6.520 234 HB1 ALA 32 3HB ALA 32 9.552 -7.678 5.293 235 HB2 ALA 32 1HB ALA 32 10.492 -6.412 4.503 236 HB3 ALA 32 2HB ALA 32 9.056 -5.993 5.441 237 H ILE 33 H ILE 33 9.281 -4.528 7.125 238 HA ILE 33 HA ILE 33 10.973 -2.413 6.365 239 HB ILE 33 HB ILE 33 8.459 -2.684 7.967 240 HG12 ILE 33 1HG1 ILE 33 7.680 -0.951 6.371 241 HG13 ILE 33 2HG1 ILE 33 9.299 -0.872 5.682 242 HG21 ILE 33 1HG2 ILE 33 10.278 -0.291 8.171 243 HG22 ILE 33 2HG2 ILE 33 9.493 -1.164 9.469 244 HG23 ILE 33 3HG2 ILE 33 8.542 -0.134 8.401 245 HD11 ILE 33 3HD1 ILE 33 7.814 -2.324 4.348 246 HD12 ILE 33 1HD1 ILE 33 7.554 -3.351 5.762 247 HD13 ILE 33 2HD1 ILE 33 9.156 -3.239 5.034 248 H GLN 34 H GLN 34 10.473 -3.945 9.538 249 HA GLN 34 HA GLN 34 11.913 -2.225 11.140 250 HB2 GLN 34 1HB GLN 34 10.660 -4.142 11.996 251 HB3 GLN 34 2HB GLN 34 11.828 -5.244 11.277 252 HG2 GLN 34 1HG GLN 34 13.590 -4.405 12.716 253 HG3 GLN 34 2HG GLN 34 12.518 -3.155 13.351 254 HE21 GLN 34 2HE2 GLN 34 13.776 -5.194 15.016 255 HE22 GLN 34 1HE2 GLN 34 12.533 -6.155 15.656 256 H LEU 35 H LEU 35 13.067 -4.634 8.863 257 HA LEU 35 HA LEU 35 15.811 -4.488 9.680 258 HB2 LEU 35 1HB LEU 35 14.529 -5.516 7.134 259 HB3 LEU 35 2HB LEU 35 16.214 -5.697 7.551 260 HG LEU 35 HG LEU 35 14.000 -6.691 9.354 261 HD11 LEU 35 1HD1 LEU 35 13.836 -7.845 7.183 262 HD12 LEU 35 2HD1 LEU 35 14.446 -8.941 8.423 263 HD13 LEU 35 3HD1 LEU 35 15.556 -8.230 7.252 264 HD21 LEU 35 3HD2 LEU 35 16.996 -7.171 9.217 265 HD22 LEU 35 1HD2 LEU 35 15.914 -8.219 10.131 266 HD23 LEU 35 2HD2 LEU 35 16.070 -6.528 10.570 267 H ASP 36 H ASP 36 13.853 -2.937 7.203 268 HA ASP 36 HA ASP 36 15.549 -0.663 7.109 269 HB2 ASP 36 1HB ASP 36 16.402 -0.938 4.811 270 HB3 ASP 36 2HB ASP 36 17.057 -2.130 5.923 271 HA PRO 37 HA PRO 37 11.504 0.215 5.218 272 HB2 PRO 37 1HB PRO 37 11.226 2.798 5.930 273 HB3 PRO 37 2HB PRO 37 11.120 1.507 7.132 274 HG2 PRO 37 1HG PRO 37 13.403 3.334 6.554 275 HG3 PRO 37 2HG PRO 37 12.794 2.758 8.115 276 HD2 PRO 37 1HD PRO 37 14.991 1.650 6.751 277 HD3 PRO 37 2HD PRO 37 14.065 0.830 8.027 278 H GLU 38 H GLU 38 14.235 0.487 3.867 279 HA GLU 38 HA GLU 38 13.882 2.804 2.097 280 HB2 GLU 38 1HB GLU 38 16.056 2.277 1.244 281 HB3 GLU 38 2HB GLU 38 16.142 2.099 2.993 282 HG2 GLU 38 1HG GLU 38 15.692 -0.396 2.627 283 HG3 GLU 38 2HG GLU 38 15.958 -0.099 0.912 284 H GLU 39 H GLU 39 12.744 -0.331 2.225 285 HA GLU 39 HA GLU 39 12.756 -0.801 -0.670 286 HB2 GLU 39 1HB GLU 39 11.425 -2.904 0.147 287 HB3 GLU 39 2HB GLU 39 13.146 -2.808 0.496 288 HG2 GLU 39 1HG GLU 39 12.755 -2.119 2.739 289 HG3 GLU 39 2HG GLU 39 11.044 -1.843 2.451 290 H SER 40 H SER 40 11.364 0.615 -1.612 291 HA SER 40 HA SER 40 8.858 1.405 -0.535 292 HB2 SER 40 1HB SER 40 8.423 2.264 -2.823 293 HB3 SER 40 2HB SER 40 9.984 2.772 -2.191 294 HG SER 40 HG SER 40 10.791 0.814 -3.312 295 H LYS 41 H LYS 41 9.763 -1.009 -2.961 296 HA LYS 41 HA LYS 41 7.301 -1.864 -3.854 297 HB2 LYS 41 1HB LYS 41 9.751 -3.520 -3.204 298 HB3 LYS 41 2HB LYS 41 8.358 -4.160 -4.072 299 HG2 LYS 41 1HG LYS 41 8.673 -2.283 -5.754 300 HG3 LYS 41 2HG LYS 41 10.196 -1.913 -4.949 301 HD2 LYS 41 1HD LYS 41 9.494 -4.625 -6.124 302 HD3 LYS 41 2HD LYS 41 10.480 -3.415 -6.940 303 HE2 LYS 41 1HE LYS 41 11.982 -3.480 -4.826 304 HE3 LYS 41 2HE LYS 41 11.128 -4.970 -4.428 305 HZ1 LYS 41 3HZ LYS 41 13.295 -4.786 -6.027 306 HZ2 LYS 41 1HZ LYS 41 12.028 -4.860 -7.151 307 HZ3 LYS 41 2HZ LYS 41 12.205 -6.090 -5.993 308 H TYR 42 H TYR 42 8.742 -2.386 -0.707 309 HA TYR 42 HA TYR 42 6.865 -4.421 0.126 310 HB2 TYR 42 1HB TYR 42 9.050 -2.827 1.451 311 HB3 TYR 42 2HB TYR 42 7.910 -3.716 2.448 312 HD1 TYR 42 HD1 TYR 42 9.805 -4.339 -0.758 313 HD2 TYR 42 HD2 TYR 42 8.663 -5.839 3.106 314 HE1 TYR 42 HE1 TYR 42 11.083 -6.416 -1.181 315 HE2 TYR 42 HE2 TYR 42 9.938 -7.911 2.677 316 HH TYR 42 HH TYR 42 11.635 -8.774 1.327 317 H TRP 43 H TRP 43 7.119 -0.916 0.327 318 HA TRP 43 HA TRP 43 4.999 -0.597 2.231 319 HB2 TRP 43 1HB TRP 43 6.590 1.229 0.453 320 HB3 TRP 43 2HB TRP 43 5.118 1.840 1.202 321 HD1 TRP 43 HD1 TRP 43 8.711 1.116 1.931 322 HE1 TRP 43 HE1 TRP 43 9.200 1.589 4.422 323 HE3 TRP 43 HE3 TRP 43 3.946 1.636 3.672 324 HZ2 TRP 43 HZ2 TRP 43 7.746 2.123 6.837 325 HZ3 TRP 43 HZ3 TRP 43 3.520 2.127 6.063 326 HH2 TRP 43 HH2 TRP 43 5.412 2.369 7.646 327 H LEU 44 H LEU 44 5.249 -0.632 -1.293 328 HA LEU 44 HA LEU 44 2.729 0.372 -1.928 329 HB2 LEU 44 1HB LEU 44 4.380 0.036 -3.650 330 HB3 LEU 44 2HB LEU 44 4.461 -1.684 -3.319 331 HG LEU 44 HG LEU 44 2.153 -1.982 -4.105 332 HD11 LEU 44 1HD1 LEU 44 0.981 -0.040 -3.562 333 HD12 LEU 44 2HD1 LEU 44 1.159 0.157 -5.296 334 HD13 LEU 44 3HD1 LEU 44 2.220 1.033 -4.197 335 HD21 LEU 44 3HD2 LEU 44 4.116 -1.931 -5.716 336 HD22 LEU 44 1HD2 LEU 44 3.621 -0.288 -6.130 337 HD23 LEU 44 2HD2 LEU 44 2.527 -1.640 -6.420 338 H MET 45 H MET 45 3.743 -2.902 -1.001 339 HA MET 45 HA MET 45 1.242 -4.111 -1.555 340 HB2 MET 45 1HB MET 45 3.330 -5.395 -1.346 341 HB3 MET 45 2HB MET 45 3.435 -4.961 0.357 342 HG2 MET 45 1HG MET 45 2.497 -7.210 0.134 343 HG3 MET 45 2HG MET 45 1.270 -6.124 0.766 344 HE1 MET 45 3HE MET 45 2.867 -7.808 -2.104 345 HE2 MET 45 1HE MET 45 2.416 -6.526 -3.236 346 HE3 MET 45 2HE MET 45 1.622 -8.094 -3.312 347 H LYS 46 H LYS 46 2.643 -2.607 1.298 348 HA LYS 46 HA LYS 46 0.706 -3.384 3.156 349 HB2 LYS 46 1HB LYS 46 2.835 -2.252 3.737 350 HB3 LYS 46 2HB LYS 46 2.195 -0.755 3.080 351 HG2 LYS 46 1HG LYS 46 1.903 -0.726 5.494 352 HG3 LYS 46 2HG LYS 46 0.316 -0.869 4.749 353 HD2 LYS 46 1HD LYS 46 0.089 -3.145 5.355 354 HD3 LYS 46 2HD LYS 46 1.822 -3.367 5.571 355 HE2 LYS 46 1HE LYS 46 0.063 -1.642 7.338 356 HE3 LYS 46 2HE LYS 46 0.576 -3.283 7.727 357 HZ1 LYS 46 3HZ LYS 46 1.965 -0.920 8.171 358 HZ2 LYS 46 1HZ LYS 46 2.809 -1.752 6.959 359 HZ3 LYS 46 2HZ LYS 46 2.499 -2.509 8.448 360 H GLY 47 H GLY 47 0.816 -0.507 1.072 361 HA2 GLY 47 1HA GLY 47 -1.506 0.760 1.966 362 HA3 GLY 47 2HA GLY 47 -0.865 0.889 0.334 363 H LYS 48 H LYS 48 -1.143 -1.639 -0.654 364 HA LYS 48 HA LYS 48 -3.856 -1.742 -1.400 365 HB2 LYS 48 1HB LYS 48 -1.706 -3.871 -1.572 366 HB3 LYS 48 2HB LYS 48 -3.284 -3.982 -2.348 367 HG2 LYS 48 1HG LYS 48 -2.823 -1.941 -3.641 368 HG3 LYS 48 2HG LYS 48 -1.263 -1.768 -2.837 369 HD2 LYS 48 1HD LYS 48 -0.589 -3.997 -3.752 370 HD3 LYS 48 2HD LYS 48 -2.109 -4.060 -4.641 371 HE2 LYS 48 1HE LYS 48 -0.075 -1.831 -4.932 372 HE3 LYS 48 2HE LYS 48 -0.159 -3.221 -6.007 373 HZ1 LYS 48 3HZ LYS 48 -2.027 -2.466 -6.984 374 HZ2 LYS 48 1HZ LYS 48 -1.463 -0.959 -6.450 375 HZ3 LYS 48 2HZ LYS 48 -2.648 -1.787 -5.557 376 H ALA 49 H ALA 49 -2.070 -3.365 1.176 377 HA ALA 49 HA ALA 49 -4.079 -5.268 1.831 378 HB1 ALA 49 3HB ALA 49 -1.985 -4.074 3.662 379 HB2 ALA 49 1HB ALA 49 -1.687 -5.409 2.550 380 HB3 ALA 49 2HB ALA 49 -2.829 -5.607 3.879 381 H LEU 50 H LEU 50 -3.222 -2.118 3.245 382 HA LEU 50 HA LEU 50 -5.298 -2.098 5.158 383 HB2 LEU 50 1HB LEU 50 -3.758 0.117 3.852 384 HB3 LEU 50 2HB LEU 50 -4.850 0.380 5.200 385 HG LEU 50 HG LEU 50 -2.565 -1.619 5.351 386 HD11 LEU 50 1HD1 LEU 50 -2.532 1.312 6.140 387 HD12 LEU 50 2HD1 LEU 50 -1.610 0.586 4.826 388 HD13 LEU 50 3HD1 LEU 50 -1.258 0.149 6.497 389 HD21 LEU 50 3HD2 LEU 50 -4.173 -1.925 7.128 390 HD22 LEU 50 1HD2 LEU 50 -4.294 -0.188 7.404 391 HD23 LEU 50 2HD2 LEU 50 -2.821 -1.054 7.831 392 H TYR 51 H TYR 51 -5.068 -0.697 1.906 393 HA TYR 51 HA TYR 51 -7.540 0.609 1.860 394 HB2 TYR 51 1HB TYR 51 -6.157 1.111 0.027 395 HB3 TYR 51 2HB TYR 51 -5.764 -0.582 -0.260 396 HD1 TYR 51 HD1 TYR 51 -8.559 1.896 -0.435 397 HD2 TYR 51 HD2 TYR 51 -7.023 -1.872 -1.817 398 HE1 TYR 51 HE1 TYR 51 -10.410 1.736 -2.080 399 HE2 TYR 51 HE2 TYR 51 -8.866 -2.019 -3.466 400 HH TYR 51 HH TYR 51 -11.287 0.581 -3.743 401 H ASN 52 H ASN 52 -6.764 -2.722 0.790 402 HA ASN 52 HA ASN 52 -9.392 -3.418 0.083 403 HB2 ASN 52 1HB ASN 52 -7.423 -4.696 -0.626 404 HB3 ASN 52 2HB ASN 52 -7.134 -5.188 1.044 405 HD21 ASN 52 2HD2 ASN 52 -7.557 -7.445 0.769 406 HD22 ASN 52 1HD2 ASN 52 -9.082 -8.045 0.328 407 H LEU 53 H LEU 53 -7.779 -3.214 3.126 408 HA LEU 53 HA LEU 53 -9.723 -4.817 4.566 409 HB2 LEU 53 1HB LEU 53 -7.187 -3.441 5.198 410 HB3 LEU 53 2HB LEU 53 -8.342 -3.405 6.516 411 HG LEU 53 HG LEU 53 -8.587 -5.901 6.264 412 HD11 LEU 53 1HD1 LEU 53 -7.353 -7.140 4.797 413 HD12 LEU 53 2HD1 LEU 53 -6.024 -5.992 4.714 414 HD13 LEU 53 3HD1 LEU 53 -7.512 -5.696 3.819 415 HD21 LEU 53 3HD2 LEU 53 -5.851 -4.769 6.903 416 HD22 LEU 53 1HD2 LEU 53 -6.365 -6.405 7.307 417 HD23 LEU 53 2HD2 LEU 53 -7.186 -5.023 8.025 418 H GLU 54 H GLU 54 -10.271 -2.173 3.036 419 HA GLU 54 HA GLU 54 -11.994 -0.657 3.154 420 HB2 GLU 54 1HB GLU 54 -13.740 -1.168 4.576 421 HB3 GLU 54 2HB GLU 54 -12.790 -2.584 4.964 422 HG2 GLU 54 1HG GLU 54 -13.101 -1.815 7.155 423 HG3 GLU 54 2HG GLU 54 -11.684 -0.857 6.798 424 H ARG 55 H ARG 55 -9.177 -0.608 4.693 425 HA ARG 55 HA ARG 55 -9.606 1.787 6.332 426 HB2 ARG 55 1HB ARG 55 -7.137 0.107 5.855 427 HB3 ARG 55 2HB ARG 55 -7.227 1.511 6.887 428 HG2 ARG 55 1HG ARG 55 -8.956 0.423 8.255 429 HG3 ARG 55 2HG ARG 55 -8.842 -1.011 7.232 430 HD2 ARG 55 1HD ARG 55 -6.662 -1.533 7.995 431 HD3 ARG 55 2HD ARG 55 -6.375 0.097 8.589 432 HE ARG 55 HE ARG 55 -7.334 -0.540 10.586 433 HH11 ARG 55 1HH2 ARG 55 -8.361 -2.628 8.052 434 HH12 ARG 55 2HH2 ARG 55 -9.223 -3.709 9.091 435 HH21 ARG 55 1HH1 ARG 55 -8.460 -1.935 11.968 436 HH22 ARG 55 2HH1 ARG 55 -9.282 -3.312 11.314 437 H TYR 56 H TYR 56 -10.286 2.665 4.060 438 HA TYR 56 HA TYR 56 -8.417 3.320 2.103 439 HB2 TYR 56 1HB TYR 56 -10.698 5.111 2.966 440 HB3 TYR 56 2HB TYR 56 -9.990 4.956 1.358 441 HD1 TYR 56 HD2 TYR 56 -12.033 3.243 3.938 442 HD2 TYR 56 HD1 TYR 56 -10.631 3.151 -0.123 443 HE1 TYR 56 HE2 TYR 56 -13.641 1.425 3.424 444 HE2 TYR 56 HE1 TYR 56 -12.243 1.335 -0.632 445 HH TYR 56 HH TYR 56 -13.924 -0.370 1.803 446 H GLU 57 H GLU 57 -9.238 4.956 5.128 447 HA GLU 57 HA GLU 57 -7.653 7.262 4.684 448 HB2 GLU 57 1HB GLU 57 -7.915 7.641 7.101 449 HB3 GLU 57 2HB GLU 57 -9.448 7.187 6.360 450 HG2 GLU 57 1HG GLU 57 -8.836 4.751 7.057 451 HG3 GLU 57 2HG GLU 57 -7.639 5.503 8.109 452 H GLU 58 H GLU 58 -7.046 4.304 6.570 453 HA GLU 58 HA GLU 58 -4.420 5.013 7.330 454 HB2 GLU 58 1HB GLU 58 -6.017 3.043 8.153 455 HB3 GLU 58 2HB GLU 58 -5.132 2.117 6.940 456 HG2 GLU 58 1HG GLU 58 -3.014 2.700 8.002 457 HG3 GLU 58 2HG GLU 58 -3.864 3.671 9.199 458 H ALA 59 H ALA 59 -5.662 3.169 4.574 459 HA ALA 59 HA ALA 59 -3.249 2.299 3.493 460 HB1 ALA 59 3HB ALA 59 -4.437 2.061 1.404 461 HB2 ALA 59 1HB ALA 59 -5.654 3.231 1.916 462 HB3 ALA 59 2HB ALA 59 -5.550 1.660 2.713 463 H VAL 60 H VAL 60 -4.892 5.408 3.115 464 HA VAL 60 HA VAL 60 -3.164 6.511 1.209 465 HB VAL 60 HB VAL 60 -4.943 7.704 3.320 466 HG11 VAL 60 1HG1 VAL 60 -4.440 9.935 2.064 467 HG12 VAL 60 2HG1 VAL 60 -2.963 9.131 1.533 468 HG13 VAL 60 3HG1 VAL 60 -3.261 9.375 3.251 469 HG21 VAL 60 3HG2 VAL 60 -6.204 8.465 1.350 470 HG22 VAL 60 1HG2 VAL 60 -5.944 6.722 1.265 471 HG23 VAL 60 2HG2 VAL 60 -4.961 7.810 0.283 472 H ASP 61 H ASP 61 -2.853 6.226 4.706 473 HA ASP 61 HA ASP 61 -0.710 7.984 5.076 474 HB2 ASP 61 1HB ASP 61 -2.079 6.834 6.867 475 HB3 ASP 61 2HB ASP 61 -1.115 5.391 6.574 476 H CYS 62 H CYS 62 -0.768 4.598 4.047 477 HA CYS 62 HA CYS 62 2.046 4.201 4.142 478 HB2 CYS 62 1HB CYS 62 -0.229 2.805 2.746 479 HB3 CYS 62 2HB CYS 62 1.437 2.342 2.398 480 HG CYS 62 HG CYS 62 1.661 1.990 5.092 481 H TYR 63 H TYR 63 -0.146 4.955 1.416 482 HA TYR 63 HA TYR 63 1.865 5.197 -0.525 483 HB2 TYR 63 1HB TYR 63 -0.778 6.668 -0.390 484 HB3 TYR 63 2HB TYR 63 0.203 6.455 -1.835 485 HD1 TYR 63 HD1 TYR 63 1.025 3.649 -1.809 486 HD2 TYR 63 HD2 TYR 63 -2.736 5.346 -0.622 487 HE1 TYR 63 HE1 TYR 63 -0.091 1.508 -2.209 488 HE2 TYR 63 HE2 TYR 63 -3.841 3.188 -1.033 489 HH TYR 63 HH TYR 63 -1.966 0.348 -2.056 490 H ASN 64 H ASN 64 0.444 7.634 1.633 491 HA ASN 64 HA ASN 64 1.858 9.833 0.574 492 HB2 ASN 64 1HB ASN 64 0.754 9.322 3.342 493 HB3 ASN 64 2HB ASN 64 1.384 10.876 2.798 494 HD21 ASN 64 2HD2 ASN 64 0.155 9.809 0.001 495 HD22 ASN 64 1HD2 ASN 64 -1.454 10.332 0.132 496 H TYR 65 H TYR 65 2.654 7.457 3.064 497 HA TYR 65 HA TYR 65 4.969 8.676 4.073 498 HB2 TYR 65 1HB TYR 65 3.951 6.737 5.160 499 HB3 TYR 65 2HB TYR 65 4.330 5.730 3.768 500 HD1 TYR 65 HD2 TYR 65 5.733 7.530 6.664 501 HD2 TYR 65 HD1 TYR 65 6.612 4.996 3.305 502 HE1 TYR 65 HE2 TYR 65 7.981 7.061 7.602 503 HE2 TYR 65 HE1 TYR 65 8.861 4.535 4.237 504 HH TYR 65 HH TYR 65 10.451 5.579 5.794 505 H VAL 66 H VAL 66 4.528 6.435 1.347 506 HA VAL 66 HA VAL 66 7.289 6.284 0.663 507 HB VAL 66 HB VAL 66 4.806 5.759 -0.985 508 HG11 VAL 66 1HG1 VAL 66 6.568 6.172 -2.568 509 HG12 VAL 66 2HG1 VAL 66 6.461 4.420 -2.417 510 HG13 VAL 66 3HG1 VAL 66 7.745 5.298 -1.588 511 HG21 VAL 66 3HG2 VAL 66 5.060 4.264 0.930 512 HG22 VAL 66 1HG2 VAL 66 6.743 3.955 0.500 513 HG23 VAL 66 2HG2 VAL 66 5.446 3.389 -0.551 514 H ILE 67 H ILE 67 4.635 8.350 -0.483 515 HA ILE 67 HA ILE 67 6.259 9.706 -2.427 516 HB ILE 67 HB ILE 67 3.578 10.445 -1.242 517 HG12 ILE 67 1HG1 ILE 67 4.248 9.161 -3.913 518 HG13 ILE 67 2HG1 ILE 67 3.767 8.233 -2.492 519 HG21 ILE 67 1HG2 ILE 67 4.676 12.404 -2.244 520 HG22 ILE 67 2HG2 ILE 67 3.381 11.850 -3.299 521 HG23 ILE 67 3HG2 ILE 67 5.056 11.473 -3.694 522 HD11 ILE 67 3HD1 ILE 67 1.800 8.634 -3.854 523 HD12 ILE 67 1HD1 ILE 67 2.140 10.365 -3.898 524 HD13 ILE 67 2HD1 ILE 67 1.668 9.599 -2.382 525 H ASN 68 H ASN 68 5.666 10.048 0.957 526 HA ASN 68 HA ASN 68 6.583 12.809 1.102 527 HB2 ASN 68 1HB ASN 68 4.851 11.973 2.637 528 HB3 ASN 68 2HB ASN 68 6.000 10.804 3.296 529 HD21 ASN 68 2HD2 ASN 68 5.888 11.844 5.433 530 HD22 ASN 68 1HD2 ASN 68 6.640 13.339 5.710 531 H VAL 69 H VAL 69 7.656 10.014 2.989 532 HA VAL 69 HA VAL 69 10.172 10.979 3.608 533 HB VAL 69 HB VAL 69 8.899 8.821 4.407 534 HG11 VAL 69 1HG1 VAL 69 10.733 7.539 2.384 535 HG12 VAL 69 2HG1 VAL 69 9.033 7.787 2.065 536 HG13 VAL 69 3HG1 VAL 69 9.541 6.758 3.381 537 HG21 VAL 69 3HG2 VAL 69 11.144 7.788 5.071 538 HG22 VAL 69 1HG2 VAL 69 10.920 9.482 5.498 539 HG23 VAL 69 2HG2 VAL 69 11.904 9.049 4.102 540 H ILE 70 H ILE 70 9.208 9.057 0.806 541 HA ILE 70 HA ILE 70 11.875 9.407 -0.423 542 HB ILE 70 HB ILE 70 9.668 7.388 -0.727 543 HG12 ILE 70 1HG1 ILE 70 12.640 6.948 -0.989 544 HG13 ILE 70 2HG1 ILE 70 11.862 7.049 0.579 545 HG21 ILE 70 1HG2 ILE 70 11.514 8.291 -2.917 546 HG22 ILE 70 2HG2 ILE 70 9.769 8.033 -2.991 547 HG23 ILE 70 3HG2 ILE 70 10.862 6.651 -2.903 548 HD11 ILE 70 3HD1 ILE 70 10.374 5.189 0.024 549 HD12 ILE 70 1HD1 ILE 70 12.051 4.696 -0.222 550 HD13 ILE 70 2HD1 ILE 70 11.041 5.118 -1.608 551 H GLU 71 H GLU 71 12.149 10.678 -2.097 552 HA GLU 71 HA GLU 71 9.877 12.218 -3.155 553 HB2 GLU 71 1HB GLU 71 11.644 13.651 -4.124 554 HB3 GLU 71 2HB GLU 71 11.767 13.508 -2.371 555 HG2 GLU 71 1HG GLU 71 13.507 11.768 -2.638 556 HG3 GLU 71 2HG GLU 71 13.392 11.922 -4.387 557 H ASP 72 H ASP 72 10.455 9.378 -3.925 558 HA ASP 72 HA ASP 72 11.413 9.483 -6.668 559 HB2 ASP 72 1HB ASP 72 10.163 7.202 -5.099 560 HB3 ASP 72 2HB ASP 72 10.857 7.069 -6.708 561 H GLU 73 H GLU 73 9.263 11.195 -6.306 562 HA GLU 73 HA GLU 73 6.707 10.186 -6.876 563 HB2 GLU 73 1HB GLU 73 6.358 12.512 -7.921 564 HB3 GLU 73 2HB GLU 73 6.858 12.465 -6.235 565 HG2 GLU 73 1HG GLU 73 9.165 12.917 -6.833 566 HG3 GLU 73 2HG GLU 73 8.798 12.793 -8.548 567 H TYR 74 H TYR 74 7.413 8.405 -8.351 568 HA TYR 74 HA TYR 74 6.791 9.087 -11.063 569 HB2 TYR 74 1HB TYR 74 9.200 9.727 -10.950 570 HB3 TYR 74 2HB TYR 74 9.580 8.063 -10.500 571 HD1 TYR 74 HD2 TYR 74 7.696 9.999 -13.100 572 HD2 TYR 74 HD1 TYR 74 10.039 6.502 -12.225 573 HE1 TYR 74 HE2 TYR 74 7.638 9.358 -15.490 574 HE2 TYR 74 HE1 TYR 74 9.976 5.866 -14.612 575 HH TYR 74 HH TYR 74 9.350 7.813 -17.020 576 H ASN 75 H ASN 75 5.941 7.304 -8.893 577 HA ASN 75 HA ASN 75 6.418 4.627 -10.116 578 HB2 ASN 75 1HB ASN 75 5.590 5.501 -7.338 579 HB3 ASN 75 2HB ASN 75 5.403 3.837 -7.882 580 HD21 ASN 75 2HD2 ASN 75 7.196 4.779 -5.725 581 HD22 ASN 75 1HD2 ASN 75 8.773 4.377 -6.208 582 H LYS 76 H LYS 76 4.955 4.278 -11.626 583 HA LYS 76 HA LYS 76 2.359 5.373 -11.727 584 HB2 LYS 76 1HB LYS 76 3.369 2.856 -13.054 585 HB3 LYS 76 2HB LYS 76 1.984 3.829 -13.552 586 HG2 LYS 76 1HG LYS 76 3.598 5.790 -13.795 587 HG3 LYS 76 2HG LYS 76 4.905 4.626 -13.588 588 HD2 LYS 76 1HD LYS 76 2.767 4.426 -15.717 589 HD3 LYS 76 2HD LYS 76 4.368 5.106 -15.965 590 HE2 LYS 76 1HE LYS 76 5.298 2.865 -15.137 591 HE3 LYS 76 2HE LYS 76 3.655 2.243 -15.301 592 HZ1 LYS 76 3HZ LYS 76 4.783 1.783 -17.303 593 HZ2 LYS 76 1HZ LYS 76 5.381 3.364 -17.430 594 HZ3 LYS 76 2HZ LYS 76 3.720 3.066 -17.637 595 H ASP 77 H ASP 77 3.621 2.304 -10.508 596 HA ASP 77 HA ASP 77 1.154 1.016 -10.048 597 HB2 ASP 77 1HB ASP 77 3.858 0.716 -8.726 598 HB3 ASP 77 2HB ASP 77 2.490 -0.337 -8.380 599 H VAL 78 H VAL 78 3.151 3.088 -7.978 600 HA VAL 78 HA VAL 78 1.519 2.855 -5.660 601 HB VAL 78 HB VAL 78 3.467 5.019 -6.488 602 HG11 VAL 78 1HG1 VAL 78 3.482 5.540 -4.010 603 HG12 VAL 78 2HG1 VAL 78 2.050 4.522 -3.861 604 HG13 VAL 78 3HG1 VAL 78 1.993 5.985 -4.841 605 HG21 VAL 78 3HG2 VAL 78 3.795 2.793 -4.458 606 HG22 VAL 78 1HG2 VAL 78 5.039 3.877 -5.078 607 HG23 VAL 78 2HG2 VAL 78 4.331 2.652 -6.131 608 H TRP 79 H TRP 79 1.672 5.316 -8.230 609 HA TRP 79 HA TRP 79 -0.305 7.032 -7.219 610 HB2 TRP 79 1HB TRP 79 0.671 6.471 -10.026 611 HB3 TRP 79 2HB TRP 79 -0.586 7.664 -9.712 612 HD1 TRP 79 HD1 TRP 79 2.183 7.310 -7.128 613 HE1 TRP 79 HE1 TRP 79 3.674 9.403 -7.207 614 HE3 TRP 79 HE3 TRP 79 0.337 9.544 -11.331 615 HZ2 TRP 79 HZ2 TRP 79 4.039 11.727 -8.837 616 HZ3 TRP 79 HZ3 TRP 79 1.271 11.696 -12.124 617 HH2 TRP 79 HH2 TRP 79 3.120 12.791 -10.883 618 H ALA 80 H ALA 80 -0.588 4.220 -9.390 619 HA ALA 80 HA ALA 80 -3.349 4.437 -9.879 620 HB1 ALA 80 3HB ALA 80 -1.763 1.866 -9.726 621 HB2 ALA 80 1HB ALA 80 -1.689 2.968 -11.102 622 HB3 ALA 80 2HB ALA 80 -3.211 2.182 -10.682 623 H ALA 81 H ALA 81 -1.520 2.880 -7.289 624 HA ALA 81 HA ALA 81 -3.708 1.531 -6.094 625 HB1 ALA 81 3HB ALA 81 -1.243 1.100 -5.669 626 HB2 ALA 81 1HB ALA 81 -2.259 1.166 -4.230 627 HB3 ALA 81 2HB ALA 81 -1.246 2.544 -4.658 628 H LYS 82 H LYS 82 -2.198 4.676 -5.439 629 HA LYS 82 HA LYS 82 -3.810 5.374 -3.243 630 HB2 LYS 82 1HB LYS 82 -1.629 6.484 -4.292 631 HB3 LYS 82 2HB LYS 82 -2.797 7.489 -5.142 632 HG2 LYS 82 1HG LYS 82 -2.587 7.142 -2.135 633 HG3 LYS 82 2HG LYS 82 -2.112 8.567 -3.044 634 HD2 LYS 82 1HD LYS 82 -4.607 8.547 -3.887 635 HD3 LYS 82 2HD LYS 82 -4.884 7.520 -2.483 636 HE2 LYS 82 1HE LYS 82 -3.949 10.384 -2.556 637 HE3 LYS 82 2HE LYS 82 -5.292 9.685 -1.652 638 HZ1 LYS 82 3HZ LYS 82 -3.101 8.311 -0.795 639 HZ2 LYS 82 1HZ LYS 82 -3.896 9.557 0.035 640 HZ3 LYS 82 2HZ LYS 82 -2.546 9.911 -0.932 641 H ALA 83 H ALA 83 -4.198 6.027 -6.723 642 HA ALA 83 HA ALA 83 -6.488 7.623 -6.604 643 HB1 ALA 83 3HB ALA 83 -6.912 6.840 -8.924 644 HB2 ALA 83 1HB ALA 83 -5.681 5.595 -8.709 645 HB3 ALA 83 2HB ALA 83 -5.229 7.300 -8.673 646 H ASP 84 H ASP 84 -6.216 4.083 -6.861 647 HA ASP 84 HA ASP 84 -8.906 3.424 -7.012 648 HB2 ASP 84 1HB ASP 84 -6.655 1.975 -5.598 649 HB3 ASP 84 2HB ASP 84 -8.244 1.277 -5.904 650 H ALA 85 H ALA 85 -6.934 4.127 -4.138 651 HA ALA 85 HA ALA 85 -8.905 3.535 -2.206 652 HB1 ALA 85 3HB ALA 85 -6.438 3.860 -1.781 653 HB2 ALA 85 1HB ALA 85 -7.500 4.696 -0.647 654 HB3 ALA 85 2HB ALA 85 -6.710 5.595 -1.943 655 H LEU 86 H LEU 86 -8.141 6.465 -4.015 656 HA LEU 86 HA LEU 86 -9.978 8.149 -2.600 657 HB2 LEU 86 1HB LEU 86 -8.583 8.431 -5.268 658 HB3 LEU 86 2HB LEU 86 -9.568 9.695 -4.546 659 HG LEU 86 HG LEU 86 -7.184 8.425 -3.161 660 HD11 LEU 86 1HD1 LEU 86 -7.376 10.983 -4.774 661 HD12 LEU 86 2HD1 LEU 86 -6.397 9.563 -5.146 662 HD13 LEU 86 3HD1 LEU 86 -6.009 10.560 -3.747 663 HD21 LEU 86 3HD2 LEU 86 -7.396 10.759 -1.912 664 HD22 LEU 86 1HD2 LEU 86 -8.437 9.424 -1.443 665 HD23 LEU 86 2HD2 LEU 86 -9.062 10.699 -2.483 666 H ARG 87 H ARG 87 -10.180 6.004 -5.349 667 HA ARG 87 HA ARG 87 -12.584 7.028 -6.448 668 HB2 ARG 87 1HB ARG 87 -11.016 5.523 -7.648 669 HB3 ARG 87 2HB ARG 87 -11.516 4.208 -6.587 670 HG2 ARG 87 1HG ARG 87 -13.787 4.326 -7.388 671 HG3 ARG 87 2HG ARG 87 -13.446 5.797 -8.296 672 HD2 ARG 87 1HD ARG 87 -13.435 3.933 -9.836 673 HD3 ARG 87 2HD ARG 87 -11.781 4.501 -9.651 674 HE ARG 87 HE ARG 87 -12.335 2.424 -7.781 675 HH11 ARG 87 1HH2 ARG 87 -11.752 3.069 -11.130 676 HH12 ARG 87 2HH2 ARG 87 -11.071 1.510 -11.454 677 HH21 ARG 87 1HH1 ARG 87 -11.444 0.377 -8.198 678 HH22 ARG 87 2HH1 ARG 87 -10.895 -0.015 -9.792 679 H TYR 88 H TYR 88 -11.935 5.259 -3.642 680 HA TYR 88 HA TYR 88 -14.838 4.725 -3.220 681 HB2 TYR 88 1HB TYR 88 -12.499 2.939 -2.498 682 HB3 TYR 88 2HB TYR 88 -14.151 2.698 -1.925 683 HD1 TYR 88 HD1 TYR 88 -16.029 2.557 -3.711 684 HD2 TYR 88 HD2 TYR 88 -11.855 2.070 -4.625 685 HE1 TYR 88 HE1 TYR 88 -16.622 1.412 -5.831 686 HE2 TYR 88 HE2 TYR 88 -12.452 0.922 -6.735 687 HH TYR 88 HH TYR 88 -15.843 0.267 -7.583 688 H ILE 89 H ILE 89 -13.926 7.059 -2.384 689 HA ILE 89 HA ILE 89 -13.627 6.750 0.560 690 HB ILE 89 HB ILE 89 -11.543 7.640 -0.677 691 HG12 ILE 89 1HG1 ILE 89 -12.772 9.542 1.344 692 HG13 ILE 89 2HG1 ILE 89 -12.099 7.978 1.792 693 HG21 ILE 89 1HG2 ILE 89 -13.045 9.127 -2.196 694 HG22 ILE 89 2HG2 ILE 89 -11.553 9.833 -1.582 695 HG23 ILE 89 3HG2 ILE 89 -13.095 10.236 -0.831 696 HD11 ILE 89 3HD1 ILE 89 -9.914 8.603 0.994 697 HD12 ILE 89 1HD1 ILE 89 -10.491 9.890 2.051 698 HD13 ILE 89 2HD1 ILE 89 -10.537 10.101 0.301 699 H GLU 90 H GLU 90 -15.093 7.792 1.760 700 HA GLU 90 HA GLU 90 -16.956 9.014 2.310 701 HB2 GLU 90 1HB GLU 90 -15.359 10.874 1.845 702 HB3 GLU 90 2HB GLU 90 -15.941 10.921 0.182 703 HG2 GLU 90 1HG GLU 90 -18.225 11.398 0.986 704 HG3 GLU 90 2HG GLU 90 -17.652 11.328 2.650 705 H GLY 91 H GLY 91 -16.902 10.042 -1.076 706 HA2 GLY 91 1HA GLY 91 -19.184 8.289 -1.725 707 HA3 GLY 91 2HA GLY 91 -19.408 10.033 -1.859 708 H LYS 92 H LYS 92 -18.302 11.184 -3.477 709 HA LYS 92 HA LYS 92 -16.487 9.876 -5.288 710 HB2 LYS 92 1HB LYS 92 -18.816 9.032 -5.935 711 HB3 LYS 92 2HB LYS 92 -19.168 10.682 -6.434 712 HG2 LYS 92 1HG LYS 92 -18.369 9.815 -8.459 713 HG3 LYS 92 2HG LYS 92 -16.874 10.441 -7.779 714 HD2 LYS 92 1HD LYS 92 -16.214 8.266 -8.383 715 HD3 LYS 92 2HD LYS 92 -16.677 8.012 -6.704 716 HE2 LYS 92 1HE LYS 92 -18.905 7.234 -7.425 717 HE3 LYS 92 2HE LYS 92 -18.462 7.527 -9.107 718 HZ1 LYS 92 3HZ LYS 92 -18.193 5.184 -8.143 719 HZ2 LYS 92 1HZ LYS 92 -16.799 5.804 -7.402 720 HZ3 LYS 92 2HZ LYS 92 -16.939 5.824 -9.096 721 H GLU 93 H GLU 93 -15.475 11.822 -4.308 722 HA GLU 93 HA GLU 93 -16.352 14.424 -5.282 723 HB2 GLU 93 1HB GLU 93 -13.900 13.582 -3.714 724 HB3 GLU 93 2HB GLU 93 -14.342 15.248 -4.089 725 HG2 GLU 93 1HG GLU 93 -15.181 14.832 -1.886 726 HG3 GLU 93 2HG GLU 93 -16.583 14.786 -2.950 727 H VAL 94 H VAL 94 -14.826 15.852 -6.411 728 HA VAL 94 HA VAL 94 -13.986 14.755 -8.853 729 HB VAL 94 HB VAL 94 -14.540 17.140 -8.538 730 HG11 VAL 94 1HG1 VAL 94 -13.059 18.638 -7.378 731 HG12 VAL 94 2HG1 VAL 94 -11.854 17.371 -7.157 732 HG13 VAL 94 3HG1 VAL 94 -13.385 17.291 -6.285 733 HG21 VAL 94 3HG2 VAL 94 -11.647 16.918 -9.425 734 HG22 VAL 94 1HG2 VAL 94 -12.893 18.002 -10.036 735 HG23 VAL 94 2HG2 VAL 94 -12.974 16.279 -10.395 736 H GLU 95 H GLU 95 -12.541 14.550 -5.823 737 HA GLU 95 HA GLU 95 -9.800 14.721 -6.423 738 HB2 GLU 95 1HB GLU 95 -11.208 13.005 -4.353 739 HB3 GLU 95 2HB GLU 95 -9.475 13.330 -4.390 740 HG2 GLU 95 1HG GLU 95 -11.605 15.483 -4.195 741 HG3 GLU 95 2HG GLU 95 -10.725 14.831 -2.817 742 H ALA 96 H ALA 96 -11.965 11.886 -6.367 743 HA ALA 96 HA ALA 96 -10.129 9.927 -7.067 744 HB1 ALA 96 3HB ALA 96 -13.039 10.179 -7.850 745 HB2 ALA 96 1HB ALA 96 -12.400 9.374 -6.418 746 HB3 ALA 96 2HB ALA 96 -12.081 8.709 -8.023 747 H GLU 97 H GLU 97 -11.802 12.267 -9.112 748 HA GLU 97 HA GLU 97 -11.017 11.098 -11.598 749 HB2 GLU 97 1HB GLU 97 -11.920 13.896 -10.884 750 HB3 GLU 97 2HB GLU 97 -11.617 13.358 -12.533 751 HG2 GLU 97 1HG GLU 97 -13.337 11.645 -12.342 752 HG3 GLU 97 2HG GLU 97 -13.588 12.041 -10.643 753 H ILE 98 H ILE 98 -9.706 13.747 -9.616 754 HA ILE 98 HA ILE 98 -7.657 14.564 -11.351 755 HB ILE 98 HB ILE 98 -7.807 14.585 -8.323 756 HG12 ILE 98 1HG1 ILE 98 -8.155 16.834 -10.331 757 HG13 ILE 98 2HG1 ILE 98 -9.500 15.914 -9.659 758 HG21 ILE 98 1HG2 ILE 98 -5.805 15.871 -10.200 759 HG22 ILE 98 2HG2 ILE 98 -5.459 14.757 -8.880 760 HG23 ILE 98 3HG2 ILE 98 -6.018 16.386 -8.530 761 HD11 ILE 98 3HD1 ILE 98 -7.536 17.667 -8.157 762 HD12 ILE 98 1HD1 ILE 98 -8.648 16.567 -7.348 763 HD13 ILE 98 2HD1 ILE 98 -9.275 17.900 -8.313 764 H ALA 99 H ALA 99 -7.648 12.083 -8.778 765 HA ALA 99 HA ALA 99 -4.918 11.383 -9.091 766 HB1 ALA 99 3HB ALA 99 -5.437 9.478 -7.709 767 HB2 ALA 99 1HB ALA 99 -7.160 9.635 -8.062 768 HB3 ALA 99 2HB ALA 99 -6.342 10.866 -7.102 769 H GLU 100 H GLU 100 -7.918 10.009 -10.400 770 HA GLU 100 HA GLU 100 -6.860 7.801 -11.722 771 HB2 GLU 100 1HB GLU 100 -9.297 8.365 -11.503 772 HB3 GLU 100 2HB GLU 100 -9.076 9.573 -12.768 773 HG2 GLU 100 1HG GLU 100 -8.352 7.850 -14.341 774 HG3 GLU 100 2HG GLU 100 -8.453 6.622 -13.079 775 H ALA 101 H ALA 101 -7.187 11.152 -12.895 776 HA ALA 101 HA ALA 101 -6.103 10.675 -15.471 777 HB1 ALA 101 3HB ALA 101 -5.907 13.079 -15.644 778 HB2 ALA 101 1HB ALA 101 -6.033 13.256 -13.894 779 HB3 ALA 101 2HB ALA 101 -7.423 12.697 -14.826 780 H ARG 102 H ARG 102 -4.635 11.649 -12.400 781 HA ARG 102 HA ARG 102 -2.032 12.150 -13.389 782 HB2 ARG 102 1HB ARG 102 -3.135 11.475 -10.676 783 HB3 ARG 102 2HB ARG 102 -1.393 11.536 -10.912 784 HG2 ARG 102 1HG ARG 102 -1.567 13.845 -11.726 785 HG3 ARG 102 2HG ARG 102 -3.319 13.792 -11.545 786 HD2 ARG 102 1HD ARG 102 -3.212 13.867 -9.205 787 HD3 ARG 102 2HD ARG 102 -1.619 13.117 -9.145 788 HE ARG 102 HE ARG 102 -0.730 15.235 -9.179 789 HH11 ARG 102 1HH2 ARG 102 -3.862 15.259 -10.629 790 HH12 ARG 102 2HH2 ARG 102 -3.881 16.971 -10.880 791 HH21 ARG 102 1HH1 ARG 102 -0.745 17.472 -9.496 792 HH22 ARG 102 2HH1 ARG 102 -2.118 18.225 -10.236 793 H ALA 103 H ALA 103 -3.525 9.192 -12.106 794 HA ALA 103 HA ALA 103 -1.128 7.634 -12.340 795 HB1 ALA 103 3HB ALA 103 -2.654 5.718 -11.902 796 HB2 ALA 103 1HB ALA 103 -4.023 6.826 -11.999 797 HB3 ALA 103 2HB ALA 103 -2.824 7.016 -10.720 798 H LYS 104 H LYS 104 -3.792 8.426 -14.416 799 HA LYS 104 HA LYS 104 -3.012 6.402 -16.412 800 HB2 LYS 104 1HB LYS 104 -5.450 6.914 -15.718 801 HB3 LYS 104 2HB LYS 104 -5.283 8.388 -16.666 802 HG2 LYS 104 1HG LYS 104 -4.777 7.095 -18.673 803 HG3 LYS 104 2HG LYS 104 -4.766 5.597 -17.750 804 HD2 LYS 104 1HD LYS 104 -7.155 5.975 -17.170 805 HD3 LYS 104 2HD LYS 104 -7.148 7.417 -18.187 806 HE2 LYS 104 1HE LYS 104 -6.440 4.638 -19.172 807 HE3 LYS 104 2HE LYS 104 -8.026 5.384 -19.368 808 HZ1 LYS 104 3HZ LYS 104 -5.493 6.582 -20.344 809 HZ2 LYS 104 1HZ LYS 104 -7.067 7.132 -20.653 810 HZ3 LYS 104 2HZ LYS 104 -6.542 5.657 -21.311 811 H LEU 105 H LEU 105 -2.062 9.435 -15.581 812 HA LEU 105 HA LEU 105 -2.057 10.904 -17.961 813 HB2 LEU 105 1HB LEU 105 -1.277 11.549 -15.546 814 HB3 LEU 105 2HB LEU 105 0.299 10.969 -16.065 815 HG LEU 105 HG LEU 105 -1.332 13.117 -17.467 816 HD11 LEU 105 1HD1 LEU 105 1.112 13.266 -15.680 817 HD12 LEU 105 2HD1 LEU 105 -0.488 13.924 -15.339 818 HD13 LEU 105 3HD1 LEU 105 0.493 14.616 -16.629 819 HD21 LEU 105 3HD2 LEU 105 0.004 12.132 -19.150 820 HD22 LEU 105 1HD2 LEU 105 1.347 11.831 -18.048 821 HD23 LEU 105 2HD2 LEU 105 0.995 13.472 -18.594 822 H GLU 106 H GLU 106 -1.476 10.024 -19.835 823 HA GLU 106 HA GLU 106 0.932 8.319 -20.018 824 HB2 GLU 106 1HB GLU 106 -1.218 7.542 -21.035 825 HB3 GLU 106 2HB GLU 106 -1.150 8.921 -22.133 826 HG2 GLU 106 1HG GLU 106 0.992 8.147 -23.026 827 HG3 GLU 106 2HG GLU 106 1.009 6.810 -21.880 828 H HIS 107 H HIS 107 2.678 8.870 -21.249 829 HA HIS 107 HA HIS 107 3.030 11.701 -21.867 830 HB2 HIS 107 1HB HIS 107 4.910 9.335 -22.080 831 HB3 HIS 107 2HB HIS 107 5.360 11.007 -22.410 832 HD1 HIS 107 HD1 HIS 107 6.872 9.736 -20.173 833 HD2 HIS 107 HD2 HIS 107 3.204 11.606 -19.520 834 HE1 HIS 107 HE1 HIS 107 6.801 10.340 -17.715 835 HE2 HIS 107 HE2 HIS 107 4.571 11.481 -17.303 836 H HIS 108 H HIS 108 4.139 12.260 -23.975 837 HA HIS 108 HA HIS 108 2.453 11.539 -26.142 838 HB2 HIS 108 1HB HIS 108 5.149 12.920 -26.142 839 HB3 HIS 108 2HB HIS 108 4.047 12.845 -27.517 840 HD1 HIS 108 HD1 HIS 108 1.592 13.930 -27.060 841 HD2 HIS 108 HD2 HIS 108 4.602 14.994 -24.381 842 HE1 HIS 108 HE1 HIS 108 0.771 15.993 -25.843 843 HE2 HIS 108 HE2 HIS 108 2.596 16.653 -24.205 844 H HIS 109 H HIS 109 2.813 10.217 -27.892 845 HA HIS 109 HA HIS 109 5.168 8.394 -27.769 846 HB2 HIS 109 1HB HIS 109 3.003 7.312 -27.057 847 HB3 HIS 109 2HB HIS 109 2.383 7.627 -28.678 848 HD1 HIS 109 HD1 HIS 109 3.512 6.340 -30.664 849 HD2 HIS 109 HD2 HIS 109 4.925 5.231 -26.902 850 HE1 HIS 109 HE1 HIS 109 4.831 4.202 -30.996 851 HE2 HIS 109 HE2 HIS 109 5.698 3.513 -28.711 852 H HIS 110 H HIS 110 6.293 8.154 -29.574 853 HA HIS 110 HA HIS 110 5.119 8.783 -32.186 854 HB2 HIS 110 1HB HIS 110 6.955 10.345 -32.740 855 HB3 HIS 110 2HB HIS 110 5.941 10.959 -31.434 856 HD1 HIS 110 HD1 HIS 110 6.920 10.606 -28.947 857 HD2 HIS 110 HD2 HIS 110 9.639 10.036 -32.055 858 HE1 HIS 110 HE1 HIS 110 9.226 10.681 -27.903 859 HE2 HIS 110 HE2 HIS 110 10.895 10.335 -29.786 860 H HIS 111 H HIS 111 6.178 7.826 -33.882 861 HA HIS 111 HA HIS 111 7.973 5.628 -33.178 862 HB2 HIS 111 1HB HIS 111 7.647 4.932 -35.515 863 HB3 HIS 111 2HB HIS 111 6.103 5.202 -34.705 864 HD1 HIS 111 HD1 HIS 111 4.718 7.283 -35.416 865 HD2 HIS 111 HD2 HIS 111 8.260 6.810 -37.565 866 HE1 HIS 111 HE1 HIS 111 4.573 8.860 -37.392 867 HE2 HIS 111 HE2 HIS 111 6.725 8.584 -38.712 868 H HIS 112 H HIS 112 9.962 5.239 -34.300 869 HA HIS 112 HA HIS 112 11.195 7.214 -35.948 870 HB2 HIS 112 1HB HIS 112 11.298 8.438 -33.810 871 HB3 HIS 112 2HB HIS 112 12.130 7.071 -33.068 872 HD1 HIS 112 HD1 HIS 112 12.602 9.531 -35.940 873 HD2 HIS 112 HD2 HIS 112 14.880 7.095 -33.438 874 HE1 HIS 112 HE1 HIS 112 15.027 10.051 -36.448 875 HE2 HIS 112 HE2 HIS 112 16.430 8.574 -34.931 Start of MODEL 7 1 H1 MET 1 1H MET 1 22.020 -8.057 -0.366 2 H2 MET 1 2H MET 1 22.872 -8.655 0.977 3 H3 MET 1 3H MET 1 22.605 -9.650 -0.374 4 HA MET 1 HA MET 1 24.801 -9.005 -0.637 5 HB2 MET 1 1HB MET 1 23.067 -7.015 -2.137 6 HB3 MET 1 2HB MET 1 24.749 -7.369 -2.520 7 HG2 MET 1 1HG MET 1 23.449 -8.727 -3.997 8 HG3 MET 1 2HG MET 1 24.051 -9.818 -2.751 9 HE1 MET 1 3HE MET 1 19.786 -8.336 -3.472 10 HE2 MET 1 1HE MET 1 21.000 -8.709 -4.701 11 HE3 MET 1 2HE MET 1 21.236 -7.345 -3.612 12 H VAL 2 H VAL 2 23.099 -5.875 -0.487 13 HA VAL 2 HA VAL 2 25.325 -4.465 0.553 14 HB VAL 2 HB VAL 2 22.378 -3.766 0.619 15 HG11 VAL 2 1HG1 VAL 2 24.871 -2.139 1.188 16 HG12 VAL 2 2HG1 VAL 2 23.487 -2.397 2.250 17 HG13 VAL 2 3HG1 VAL 2 23.314 -1.402 0.807 18 HG21 VAL 2 3HG2 VAL 2 24.608 -2.976 -1.286 19 HG22 VAL 2 1HG2 VAL 2 22.940 -2.405 -1.363 20 HG23 VAL 2 2HG2 VAL 2 23.305 -4.106 -1.651 21 H ASP 3 H ASP 3 22.434 -5.832 2.103 22 HA ASP 3 HA ASP 3 23.877 -5.953 4.657 23 HB2 ASP 3 1HB ASP 3 22.128 -4.818 5.888 24 HB3 ASP 3 2HB ASP 3 22.703 -3.750 4.611 25 H GLN 4 H GLN 4 21.142 -6.339 5.904 26 HA GLN 4 HA GLN 4 21.067 -9.164 5.807 27 HB2 GLN 4 1HB GLN 4 18.992 -7.166 6.748 28 HB3 GLN 4 2HB GLN 4 18.901 -8.904 7.027 29 HG2 GLN 4 1HG GLN 4 19.872 -7.916 9.000 30 HG3 GLN 4 2HG GLN 4 21.163 -8.758 8.147 31 HE21 GLN 4 2HE2 GLN 4 19.685 -5.467 8.325 32 HE22 GLN 4 1HE2 GLN 4 21.154 -4.645 8.107 33 H ASN 5 H ASN 5 19.201 -6.664 4.145 34 HA ASN 5 HA ASN 5 17.706 -6.764 2.399 35 HB2 ASN 5 1HB ASN 5 19.747 -7.563 1.269 36 HB3 ASN 5 2HB ASN 5 19.329 -9.219 1.705 37 HD21 ASN 5 2HD2 ASN 5 17.020 -6.689 0.656 38 HD22 ASN 5 1HD2 ASN 5 16.552 -7.491 -0.765 39 HA PRO 6 HA PRO 6 15.122 -10.022 4.475 40 HB2 PRO 6 1HB PRO 6 13.048 -7.877 4.342 41 HB3 PRO 6 2HB PRO 6 13.573 -8.840 5.737 42 HG2 PRO 6 1HG PRO 6 14.213 -6.253 5.521 43 HG3 PRO 6 2HG PRO 6 15.350 -7.432 6.209 44 HD2 PRO 6 1HD PRO 6 15.326 -6.256 3.429 45 HD3 PRO 6 2HD PRO 6 16.697 -6.515 4.534 46 H GLU 7 H GLU 7 15.693 -9.634 1.591 47 HA GLU 7 HA GLU 7 13.390 -9.362 0.023 48 HB2 GLU 7 1HB GLU 7 15.714 -9.376 -0.862 49 HB3 GLU 7 2HB GLU 7 15.797 -11.109 -0.550 50 HG2 GLU 7 1HG GLU 7 13.984 -11.533 -2.111 51 HG3 GLU 7 2HG GLU 7 13.719 -9.805 -2.333 52 H GLU 8 H GLU 8 14.328 -11.872 2.137 53 HA GLU 8 HA GLU 8 12.865 -14.013 0.882 54 HB2 GLU 8 1HB GLU 8 13.997 -13.674 3.669 55 HB3 GLU 8 2HB GLU 8 13.224 -15.153 3.094 56 HG2 GLU 8 1HG GLU 8 14.873 -15.357 1.300 57 HG3 GLU 8 2HG GLU 8 15.615 -13.834 1.778 58 H TYR 9 H TYR 9 12.220 -11.650 3.410 59 HA TYR 9 HA TYR 9 9.875 -12.655 4.505 60 HB2 TYR 9 1HB TYR 9 10.852 -9.835 4.033 61 HB3 TYR 9 2HB TYR 9 9.301 -10.135 4.810 62 HD1 TYR 9 HD1 TYR 9 12.880 -11.282 5.003 63 HD2 TYR 9 HD2 TYR 9 9.284 -10.345 7.168 64 HE1 TYR 9 HE1 TYR 9 14.059 -11.692 7.137 65 HE2 TYR 9 HE2 TYR 9 10.472 -10.771 9.297 66 HH TYR 9 HH TYR 9 12.727 -10.812 10.172 67 H TYR 10 H TYR 10 10.412 -11.560 1.312 68 HA TYR 10 HA TYR 10 7.912 -10.543 0.565 69 HB2 TYR 10 1HB TYR 10 8.729 -10.628 -1.604 70 HB3 TYR 10 2HB TYR 10 10.245 -10.919 -0.761 71 HD1 TYR 10 HD1 TYR 10 10.806 -13.433 -0.209 72 HD2 TYR 10 HD2 TYR 10 7.968 -12.217 -3.194 73 HE1 TYR 10 HE1 TYR 10 10.958 -15.666 -1.258 74 HE2 TYR 10 HE2 TYR 10 8.122 -14.456 -4.244 75 HH TYR 10 HH TYR 10 9.288 -16.395 -4.291 76 H LEU 11 H LEU 11 8.676 -13.654 1.676 77 HA LEU 11 HA LEU 11 7.178 -15.459 0.275 78 HB2 LEU 11 1HB LEU 11 6.890 -16.693 2.341 79 HB3 LEU 11 2HB LEU 11 8.493 -15.979 2.287 80 HG LEU 11 HG LEU 11 7.072 -13.963 3.567 81 HD11 LEU 11 1HD1 LEU 11 5.074 -15.558 3.633 82 HD12 LEU 11 2HD1 LEU 11 5.575 -14.881 5.179 83 HD13 LEU 11 3HD1 LEU 11 6.006 -16.538 4.759 84 HD21 LEU 11 3HD2 LEU 11 8.397 -16.336 4.925 85 HD22 LEU 11 1HD2 LEU 11 8.142 -14.741 5.626 86 HD23 LEU 11 2HD2 LEU 11 9.249 -14.936 4.271 87 H GLU 12 H GLU 12 6.031 -12.711 2.031 88 HA GLU 12 HA GLU 12 3.435 -13.452 2.638 89 HB2 GLU 12 1HB GLU 12 2.922 -11.064 2.545 90 HB3 GLU 12 2HB GLU 12 4.481 -11.330 3.323 91 HG2 GLU 12 1HG GLU 12 5.514 -10.945 0.984 92 HG3 GLU 12 2HG GLU 12 3.938 -10.313 0.523 93 H GLY 13 H GLY 13 4.694 -12.046 -0.360 94 HA2 GLY 13 1HA GLY 13 2.554 -11.687 -1.955 95 HA3 GLY 13 2HA GLY 13 4.020 -12.455 -2.555 96 H VAL 14 H VAL 14 3.845 -14.844 -0.988 97 HA VAL 14 HA VAL 14 2.039 -16.373 -2.616 98 HB VAL 14 HB VAL 14 3.639 -17.188 -0.177 99 HG11 VAL 14 1HG1 VAL 14 2.210 -18.767 -2.333 100 HG12 VAL 14 2HG1 VAL 14 1.914 -18.817 -0.596 101 HG13 VAL 14 3HG1 VAL 14 3.410 -19.475 -1.252 102 HG21 VAL 14 3HG2 VAL 14 5.115 -16.344 -1.911 103 HG22 VAL 14 1HG2 VAL 14 4.266 -17.278 -3.143 104 HG23 VAL 14 2HG2 VAL 14 5.212 -18.105 -1.907 105 H LEU 15 H LEU 15 2.233 -15.786 0.893 106 HA LEU 15 HA LEU 15 0.018 -17.106 1.788 107 HB2 LEU 15 1HB LEU 15 0.728 -14.289 2.636 108 HB3 LEU 15 2HB LEU 15 -0.192 -15.467 3.568 109 HG LEU 15 HG LEU 15 2.712 -15.744 2.735 110 HD11 LEU 15 1HD1 LEU 15 3.201 -15.409 5.089 111 HD12 LEU 15 2HD1 LEU 15 1.484 -15.377 5.484 112 HD13 LEU 15 3HD1 LEU 15 2.195 -14.068 4.543 113 HD21 LEU 15 3HD2 LEU 15 1.925 -17.969 2.842 114 HD22 LEU 15 1HD2 LEU 15 0.772 -17.609 4.128 115 HD23 LEU 15 2HD2 LEU 15 2.499 -17.700 4.483 116 H GLN 16 H GLN 16 -0.131 -13.640 0.873 117 HA GLN 16 HA GLN 16 -2.857 -13.328 0.917 118 HB2 GLN 16 1HB GLN 16 -1.368 -11.454 0.480 119 HB3 GLN 16 2HB GLN 16 -0.873 -12.160 -1.056 120 HG2 GLN 16 1HG GLN 16 -2.551 -10.346 -1.342 121 HG3 GLN 16 2HG GLN 16 -3.139 -11.885 -1.954 122 HE21 GLN 16 2HE2 GLN 16 -5.345 -11.960 -1.460 123 HE22 GLN 16 1HE2 GLN 16 -6.008 -11.572 0.053 124 H TYR 17 H TYR 17 -0.981 -14.315 -1.987 125 HA TYR 17 HA TYR 17 -3.075 -14.762 -3.733 126 HB2 TYR 17 1HB TYR 17 -0.678 -14.921 -4.325 127 HB3 TYR 17 2HB TYR 17 -0.574 -16.447 -3.450 128 HD1 TYR 17 HD2 TYR 17 -2.188 -14.724 -6.313 129 HD2 TYR 17 HD1 TYR 17 -1.374 -18.500 -4.432 130 HE1 TYR 17 HE2 TYR 17 -3.007 -15.906 -8.332 131 HE2 TYR 17 HE1 TYR 17 -2.194 -19.682 -6.454 132 HH TYR 17 HH TYR 17 -2.900 -19.459 -8.552 133 H ASP 18 H ASP 18 -1.522 -17.329 -1.768 134 HA ASP 18 HA ASP 18 -3.706 -19.156 -2.227 135 HB2 ASP 18 1HB ASP 18 -1.336 -19.872 -1.881 136 HB3 ASP 18 2HB ASP 18 -1.465 -19.347 -0.203 137 H ALA 19 H ALA 19 -2.337 -18.119 0.861 138 HA ALA 19 HA ALA 19 -4.955 -18.347 2.166 139 HB1 ALA 19 3HB ALA 19 -3.626 -17.842 4.237 140 HB2 ALA 19 1HB ALA 19 -2.182 -17.763 3.229 141 HB3 ALA 19 2HB ALA 19 -3.081 -19.275 3.367 142 H GLY 20 H GLY 20 -6.024 -16.542 1.199 143 HA2 GLY 20 1HA GLY 20 -5.131 -13.905 1.069 144 HA3 GLY 20 2HA GLY 20 -6.819 -14.373 1.199 145 H ASN 21 H ASN 21 -3.907 -13.659 3.067 146 HA ASN 21 HA ASN 21 -5.617 -12.831 5.360 147 HB2 ASN 21 1HB ASN 21 -2.873 -14.092 5.550 148 HB3 ASN 21 2HB ASN 21 -3.930 -13.633 6.883 149 HD21 ASN 21 2HD2 ASN 21 -4.251 -15.765 7.727 150 HD22 ASN 21 1HD2 ASN 21 -5.067 -16.976 6.861 151 H TYR 22 H TYR 22 -5.216 -10.902 3.679 152 HA TYR 22 HA TYR 22 -2.895 -9.476 3.447 153 HB2 TYR 22 1HB TYR 22 -5.739 -8.610 3.914 154 HB3 TYR 22 2HB TYR 22 -4.483 -7.385 3.836 155 HD1 TYR 22 HD1 TYR 22 -2.847 -7.534 1.806 156 HD2 TYR 22 HD2 TYR 22 -6.738 -9.359 1.890 157 HE1 TYR 22 HE1 TYR 22 -2.875 -7.593 -0.669 158 HE2 TYR 22 HE2 TYR 22 -6.761 -9.420 -0.589 159 HH TYR 22 HH TYR 22 -4.947 -9.460 -2.438 160 H THR 23 H THR 23 -4.960 -9.677 6.325 161 HA THR 23 HA THR 23 -3.648 -7.759 7.912 162 HB THR 23 HB THR 23 -5.817 -8.741 8.529 163 HG1 THR 23 HG1 THR 23 -4.088 -9.597 10.548 164 HG21 THR 23 3HG2 THR 23 -5.058 -11.108 7.740 165 HG22 THR 23 1HG2 THR 23 -6.105 -11.000 9.154 166 HG23 THR 23 2HG2 THR 23 -4.376 -11.259 9.360 167 H GLU 24 H GLU 24 -3.100 -11.290 7.669 168 HA GLU 24 HA GLU 24 -1.019 -11.475 9.534 169 HB2 GLU 24 1HB GLU 24 -2.183 -13.399 8.435 170 HB3 GLU 24 2HB GLU 24 -1.260 -13.065 6.972 171 HG2 GLU 24 1HG GLU 24 -0.097 -14.798 8.163 172 HG3 GLU 24 2HG GLU 24 0.848 -13.328 8.360 173 H SER 25 H SER 25 -0.863 -10.830 6.043 174 HA SER 25 HA SER 25 1.885 -10.776 5.697 175 HB2 SER 25 1HB SER 25 0.114 -8.719 4.369 176 HB3 SER 25 2HB SER 25 1.496 -9.576 3.700 177 HG SER 25 HG SER 25 -0.876 -10.233 3.260 178 H ILE 26 H ILE 26 -0.139 -8.469 7.345 179 HA ILE 26 HA ILE 26 1.526 -6.195 7.304 180 HB ILE 26 HB ILE 26 -0.925 -6.650 8.320 181 HG12 ILE 26 1HG1 ILE 26 -0.498 -4.447 9.750 182 HG13 ILE 26 2HG1 ILE 26 1.090 -4.498 8.987 183 HG21 ILE 26 1HG2 ILE 26 -1.019 -6.647 10.715 184 HG22 ILE 26 2HG2 ILE 26 0.730 -6.504 10.855 185 HG23 ILE 26 3HG2 ILE 26 0.012 -7.993 10.253 186 HD11 ILE 26 3HD1 ILE 26 -1.517 -4.609 7.423 187 HD12 ILE 26 1HD1 ILE 26 0.110 -4.362 6.782 188 HD13 ILE 26 2HD1 ILE 26 -0.651 -3.115 7.767 189 H ASP 27 H ASP 27 1.478 -8.964 9.541 190 HA ASP 27 HA ASP 27 3.407 -8.084 11.346 191 HB2 ASP 27 1HB ASP 27 2.739 -10.858 10.331 192 HB3 ASP 27 2HB ASP 27 3.836 -10.553 11.678 193 H LEU 28 H LEU 28 3.804 -9.826 8.258 194 HA LEU 28 HA LEU 28 6.637 -9.993 8.456 195 HB2 LEU 28 1HB LEU 28 4.679 -10.282 6.180 196 HB3 LEU 28 2HB LEU 28 6.411 -10.348 5.883 197 HG LEU 28 HG LEU 28 5.280 -12.597 6.217 198 HD11 LEU 28 1HD1 LEU 28 7.350 -12.148 8.374 199 HD12 LEU 28 2HD1 LEU 28 7.769 -12.099 6.665 200 HD13 LEU 28 3HD1 LEU 28 7.088 -13.559 7.365 201 HD21 LEU 28 3HD2 LEU 28 4.554 -13.266 8.394 202 HD22 LEU 28 1HD2 LEU 28 3.782 -11.712 8.078 203 HD23 LEU 28 2HD2 LEU 28 5.191 -11.798 9.136 204 H PHE 29 H PHE 29 4.461 -7.683 6.862 205 HA PHE 29 HA PHE 29 6.469 -6.157 5.612 206 HB2 PHE 29 1HB PHE 29 3.686 -5.447 6.576 207 HB3 PHE 29 2HB PHE 29 4.724 -4.231 5.839 208 HD1 PHE 29 HD2 PHE 29 5.948 -5.113 3.580 209 HD2 PHE 29 HD1 PHE 29 2.189 -6.550 5.096 210 HE1 PHE 29 HE2 PHE 29 5.334 -5.908 1.321 211 HE2 PHE 29 HE1 PHE 29 1.580 -7.343 2.835 212 HZ PHE 29 HZ PHE 29 3.154 -7.028 0.949 213 H GLU 30 H GLU 30 4.951 -5.730 8.828 214 HA GLU 30 HA GLU 30 6.323 -3.431 9.602 215 HB2 GLU 30 1HB GLU 30 4.424 -4.562 10.830 216 HB3 GLU 30 2HB GLU 30 5.598 -5.724 11.439 217 HG2 GLU 30 1HG GLU 30 5.374 -4.033 13.126 218 HG3 GLU 30 2HG GLU 30 6.926 -3.750 12.342 219 H LYS 31 H LYS 31 7.302 -6.830 9.814 220 HA LYS 31 HA LYS 31 9.687 -6.403 11.288 221 HB2 LYS 31 1HB LYS 31 8.886 -8.587 9.356 222 HB3 LYS 31 2HB LYS 31 10.400 -8.611 10.260 223 HG2 LYS 31 1HG LYS 31 9.194 -8.556 12.382 224 HG3 LYS 31 2HG LYS 31 7.662 -8.374 11.541 225 HD2 LYS 31 1HD LYS 31 7.667 -10.681 11.985 226 HD3 LYS 31 2HD LYS 31 8.340 -10.648 10.359 227 HE2 LYS 31 1HE LYS 31 9.850 -12.047 11.497 228 HE3 LYS 31 2HE LYS 31 10.657 -10.487 11.637 229 HZ1 LYS 31 3HZ LYS 31 8.942 -10.525 13.744 230 HZ2 LYS 31 1HZ LYS 31 10.607 -10.845 13.810 231 HZ3 LYS 31 2HZ LYS 31 9.502 -12.128 13.671 232 H ALA 32 H ALA 32 9.108 -6.576 7.775 233 HA ALA 32 HA ALA 32 11.789 -6.274 6.958 234 HB1 ALA 32 3HB ALA 32 10.874 -5.640 4.806 235 HB2 ALA 32 1HB ALA 32 9.320 -5.275 5.546 236 HB3 ALA 32 2HB ALA 32 9.888 -6.936 5.486 237 H ILE 33 H ILE 33 9.233 -3.801 7.352 238 HA ILE 33 HA ILE 33 10.840 -1.565 6.735 239 HB ILE 33 HB ILE 33 8.421 -1.698 8.576 240 HG12 ILE 33 1HG1 ILE 33 8.579 -1.098 5.615 241 HG13 ILE 33 2HG1 ILE 33 8.119 -2.662 6.274 242 HG21 ILE 33 1HG2 ILE 33 8.157 0.645 8.227 243 HG22 ILE 33 2HG2 ILE 33 9.325 0.669 6.909 244 HG23 ILE 33 3HG2 ILE 33 9.872 0.459 8.569 245 HD11 ILE 33 3HD1 ILE 33 6.667 -0.065 6.818 246 HD12 ILE 33 1HD1 ILE 33 6.183 -1.669 7.372 247 HD13 ILE 33 2HD1 ILE 33 6.159 -1.286 5.647 248 H GLN 34 H GLN 34 10.027 -3.045 9.881 249 HA GLN 34 HA GLN 34 11.405 -1.272 11.534 250 HB2 GLN 34 1HB GLN 34 9.843 -3.035 12.314 251 HB3 GLN 34 2HB GLN 34 11.051 -4.256 11.915 252 HG2 GLN 34 1HG GLN 34 12.627 -3.241 13.511 253 HG3 GLN 34 2HG GLN 34 11.449 -1.985 13.886 254 HE21 GLN 34 2HE2 GLN 34 10.337 -2.423 15.780 255 HE22 GLN 34 1HE2 GLN 34 9.953 -3.974 16.352 256 H LEU 35 H LEU 35 12.548 -4.094 9.730 257 HA LEU 35 HA LEU 35 15.148 -4.144 10.862 258 HB2 LEU 35 1HB LEU 35 13.931 -5.219 8.324 259 HB3 LEU 35 2HB LEU 35 15.645 -5.410 8.636 260 HG LEU 35 HG LEU 35 13.552 -6.290 10.648 261 HD11 LEU 35 1HD1 LEU 35 13.159 -7.454 8.490 262 HD12 LEU 35 2HD1 LEU 35 13.760 -8.558 9.721 263 HD13 LEU 35 3HD1 LEU 35 14.847 -7.960 8.468 264 HD21 LEU 35 3HD2 LEU 35 16.491 -6.920 10.211 265 HD22 LEU 35 1HD2 LEU 35 15.460 -7.890 11.261 266 HD23 LEU 35 2HD2 LEU 35 15.746 -6.200 11.636 267 H ASP 36 H ASP 36 13.886 -2.685 7.879 268 HA ASP 36 HA ASP 36 15.738 -0.510 8.021 269 HB2 ASP 36 1HB ASP 36 17.288 -2.255 7.273 270 HB3 ASP 36 2HB ASP 36 16.245 -2.586 5.890 271 HA PRO 37 HA PRO 37 12.218 0.415 5.268 272 HB2 PRO 37 1HB PRO 37 11.863 3.020 5.853 273 HB3 PRO 37 2HB PRO 37 11.415 1.752 7.012 274 HG2 PRO 37 1HG PRO 37 13.852 3.484 6.971 275 HG3 PRO 37 2HG PRO 37 12.847 2.991 8.348 276 HD2 PRO 37 1HD PRO 37 15.253 1.752 7.638 277 HD3 PRO 37 2HD PRO 37 13.979 0.976 8.607 278 H GLU 38 H GLU 38 12.701 0.529 3.151 279 HA GLU 38 HA GLU 38 13.754 2.837 1.879 280 HB2 GLU 38 1HB GLU 38 15.885 2.003 2.850 281 HB3 GLU 38 2HB GLU 38 15.656 0.481 1.996 282 HG2 GLU 38 1HG GLU 38 15.806 1.578 -0.144 283 HG3 GLU 38 2HG GLU 38 15.773 3.170 0.610 284 H GLU 39 H GLU 39 12.533 -0.337 1.870 285 HA GLU 39 HA GLU 39 12.559 -0.636 -1.056 286 HB2 GLU 39 1HB GLU 39 11.569 -2.401 1.195 287 HB3 GLU 39 2HB GLU 39 11.440 -2.816 -0.513 288 HG2 GLU 39 1HG GLU 39 13.877 -2.679 -0.756 289 HG3 GLU 39 2HG GLU 39 14.029 -2.206 0.936 290 H SER 40 H SER 40 11.127 0.871 -1.857 291 HA SER 40 HA SER 40 8.610 1.500 -0.717 292 HB2 SER 40 1HB SER 40 9.734 2.988 -2.311 293 HB3 SER 40 2HB SER 40 9.538 1.785 -3.583 294 HG SER 40 HG SER 40 7.412 2.155 -3.625 295 H LYS 41 H LYS 41 9.548 -0.704 -3.309 296 HA LYS 41 HA LYS 41 7.057 -1.544 -4.210 297 HB2 LYS 41 1HB LYS 41 9.500 -3.302 -3.848 298 HB3 LYS 41 2HB LYS 41 8.151 -3.613 -4.934 299 HG2 LYS 41 1HG LYS 41 9.839 -1.106 -5.138 300 HG3 LYS 41 2HG LYS 41 10.264 -2.589 -5.982 301 HD2 LYS 41 1HD LYS 41 8.014 -2.557 -7.081 302 HD3 LYS 41 2HD LYS 41 7.701 -0.996 -6.326 303 HE2 LYS 41 1HE LYS 41 8.539 -0.624 -8.575 304 HE3 LYS 41 2HE LYS 41 9.754 -0.096 -7.409 305 HZ1 LYS 41 3HZ LYS 41 10.615 -1.481 -9.276 306 HZ2 LYS 41 1HZ LYS 41 9.739 -2.789 -8.645 307 HZ3 LYS 41 2HZ LYS 41 10.979 -2.078 -7.726 308 H TYR 42 H TYR 42 8.719 -2.388 -1.252 309 HA TYR 42 HA TYR 42 6.918 -4.562 -0.581 310 HB2 TYR 42 1HB TYR 42 9.064 -3.126 1.006 311 HB3 TYR 42 2HB TYR 42 8.030 -4.372 1.692 312 HD1 TYR 42 HD2 TYR 42 9.831 -4.095 -1.656 313 HD2 TYR 42 HD1 TYR 42 9.181 -6.400 1.924 314 HE1 TYR 42 HE2 TYR 42 11.253 -5.906 -2.555 315 HE2 TYR 42 HE1 TYR 42 10.607 -8.199 1.011 316 HH TYR 42 HH TYR 42 11.374 -8.521 -2.135 317 H TRP 43 H TRP 43 7.217 -1.133 0.229 318 HA TRP 43 HA TRP 43 5.104 -1.174 2.206 319 HB2 TRP 43 1HB TRP 43 6.092 1.291 0.793 320 HB3 TRP 43 2HB TRP 43 5.523 1.126 2.455 321 HD1 TRP 43 HD1 TRP 43 8.340 2.345 1.537 322 HE1 TRP 43 HE1 TRP 43 10.504 1.358 2.472 323 HE3 TRP 43 HE3 TRP 43 6.694 -2.296 3.061 324 HZ2 TRP 43 HZ2 TRP 43 11.454 -1.064 3.656 325 HZ3 TRP 43 HZ3 TRP 43 8.253 -3.888 4.059 326 HH2 TRP 43 HH2 TRP 43 10.645 -3.290 4.381 327 H LEU 44 H LEU 44 5.325 -0.744 -1.244 328 HA LEU 44 HA LEU 44 2.908 0.586 -1.707 329 HB2 LEU 44 1HB LEU 44 4.529 0.268 -3.491 330 HB3 LEU 44 2HB LEU 44 4.389 -1.479 -3.353 331 HG LEU 44 HG LEU 44 2.106 -1.428 -4.166 332 HD11 LEU 44 1HD1 LEU 44 1.221 0.834 -5.016 333 HD12 LEU 44 2HD1 LEU 44 2.442 1.568 -3.977 334 HD13 LEU 44 3HD1 LEU 44 1.171 0.566 -3.281 335 HD21 LEU 44 3HD2 LEU 44 3.983 0.276 -5.821 336 HD22 LEU 44 1HD2 LEU 44 2.526 -0.505 -6.438 337 HD23 LEU 44 2HD2 LEU 44 3.865 -1.483 -5.841 338 H MET 45 H MET 45 3.639 -2.881 -1.260 339 HA MET 45 HA MET 45 1.045 -3.802 -1.860 340 HB2 MET 45 1HB MET 45 3.300 -5.001 -0.241 341 HB3 MET 45 2HB MET 45 1.817 -5.869 -0.639 342 HG2 MET 45 1HG MET 45 3.634 -4.621 -2.718 343 HG3 MET 45 2HG MET 45 3.746 -6.305 -2.216 344 HE1 MET 45 3HE MET 45 3.415 -7.273 -4.483 345 HE2 MET 45 1HE MET 45 1.786 -7.769 -4.960 346 HE3 MET 45 2HE MET 45 2.405 -8.186 -3.364 347 H LYS 46 H LYS 46 2.618 -2.731 1.093 348 HA LYS 46 HA LYS 46 0.717 -3.615 2.947 349 HB2 LYS 46 1HB LYS 46 2.949 -2.597 3.502 350 HB3 LYS 46 2HB LYS 46 2.267 -1.019 3.112 351 HG2 LYS 46 1HG LYS 46 0.560 -1.293 4.842 352 HG3 LYS 46 2HG LYS 46 1.154 -2.917 5.196 353 HD2 LYS 46 1HD LYS 46 3.366 -1.944 5.802 354 HD3 LYS 46 2HD LYS 46 2.702 -0.331 5.538 355 HE2 LYS 46 1HE LYS 46 1.585 -2.341 7.506 356 HE3 LYS 46 2HE LYS 46 2.669 -1.021 7.936 357 HZ1 LYS 46 3HZ LYS 46 -0.143 -0.950 7.220 358 HZ2 LYS 46 1HZ LYS 46 0.808 0.298 6.574 359 HZ3 LYS 46 2HZ LYS 46 0.746 0.062 8.255 360 H GLY 47 H GLY 47 0.898 -0.513 1.201 361 HA2 GLY 47 1HA GLY 47 -1.342 0.730 2.290 362 HA3 GLY 47 2HA GLY 47 -0.755 1.007 0.653 363 H LYS 48 H LYS 48 -1.179 -1.488 -0.508 364 HA LYS 48 HA LYS 48 -3.937 -1.380 -1.145 365 HB2 LYS 48 1HB LYS 48 -1.826 -3.470 -1.687 366 HB3 LYS 48 2HB LYS 48 -3.477 -3.627 -2.279 367 HG2 LYS 48 1HG LYS 48 -3.236 -1.404 -3.407 368 HG3 LYS 48 2HG LYS 48 -1.546 -1.370 -2.914 369 HD2 LYS 48 1HD LYS 48 -2.707 -3.660 -4.531 370 HD3 LYS 48 2HD LYS 48 -2.040 -2.222 -5.295 371 HE2 LYS 48 1HE LYS 48 0.101 -2.645 -4.033 372 HE3 LYS 48 2HE LYS 48 -0.573 -4.184 -3.513 373 HZ1 LYS 48 3HZ LYS 48 -0.837 -4.831 -5.803 374 HZ2 LYS 48 1HZ LYS 48 0.780 -4.414 -5.504 375 HZ3 LYS 48 2HZ LYS 48 -0.235 -3.332 -6.332 376 H ALA 49 H ALA 49 -2.147 -3.173 1.265 377 HA ALA 49 HA ALA 49 -4.131 -5.144 1.786 378 HB1 ALA 49 3HB ALA 49 -2.117 -4.069 3.768 379 HB2 ALA 49 1HB ALA 49 -1.693 -5.208 2.491 380 HB3 ALA 49 2HB ALA 49 -2.855 -5.668 3.733 381 H LEU 50 H LEU 50 -3.299 -2.085 3.402 382 HA LEU 50 HA LEU 50 -5.368 -2.195 5.319 383 HB2 LEU 50 1HB LEU 50 -3.692 0.024 4.170 384 HB3 LEU 50 2HB LEU 50 -4.937 0.374 5.360 385 HG LEU 50 HG LEU 50 -2.828 -1.747 5.885 386 HD11 LEU 50 1HD1 LEU 50 -1.479 0.164 5.459 387 HD12 LEU 50 2HD1 LEU 50 -1.653 0.118 7.212 388 HD13 LEU 50 3HD1 LEU 50 -2.613 1.248 6.258 389 HD21 LEU 50 3HD2 LEU 50 -4.660 -1.806 7.462 390 HD22 LEU 50 1HD2 LEU 50 -4.655 -0.055 7.630 391 HD23 LEU 50 2HD2 LEU 50 -3.328 -1.008 8.280 392 H TYR 51 H TYR 51 -5.171 -0.677 2.128 393 HA TYR 51 HA TYR 51 -7.652 0.646 2.180 394 HB2 TYR 51 1HB TYR 51 -6.314 1.292 0.370 395 HB3 TYR 51 2HB TYR 51 -5.833 -0.364 0.007 396 HD1 TYR 51 HD1 TYR 51 -9.161 1.326 0.421 397 HD2 TYR 51 HD2 TYR 51 -6.599 -0.972 -2.156 398 HE1 TYR 51 HE1 TYR 51 -10.985 1.152 -1.247 399 HE2 TYR 51 HE2 TYR 51 -8.427 -1.136 -3.824 400 HH TYR 51 HH TYR 51 -11.637 -0.388 -3.090 401 H ASN 52 H ASN 52 -6.858 -2.615 0.919 402 HA ASN 52 HA ASN 52 -9.482 -3.300 0.176 403 HB2 ASN 52 1HB ASN 52 -7.508 -4.521 -0.593 404 HB3 ASN 52 2HB ASN 52 -7.199 -5.078 1.050 405 HD21 ASN 52 2HD2 ASN 52 -7.585 -7.326 0.675 406 HD22 ASN 52 1HD2 ASN 52 -9.105 -7.933 0.227 407 H LEU 53 H LEU 53 -7.890 -3.230 3.246 408 HA LEU 53 HA LEU 53 -9.809 -4.939 4.592 409 HB2 LEU 53 1HB LEU 53 -7.313 -3.526 5.305 410 HB3 LEU 53 2HB LEU 53 -8.486 -3.547 6.612 411 HG LEU 53 HG LEU 53 -8.663 -6.051 6.310 412 HD11 LEU 53 1HD1 LEU 53 -7.644 -5.842 3.888 413 HD12 LEU 53 2HD1 LEU 53 -7.295 -7.243 4.887 414 HD13 LEU 53 3HD1 LEU 53 -6.104 -5.953 4.741 415 HD21 LEU 53 3HD2 LEU 53 -7.141 -4.896 7.992 416 HD22 LEU 53 1HD2 LEU 53 -5.826 -5.143 6.844 417 HD23 LEU 53 2HD2 LEU 53 -6.661 -6.529 7.543 418 H GLU 54 H GLU 54 -10.512 -2.298 3.161 419 HA GLU 54 HA GLU 54 -12.282 -0.845 3.334 420 HB2 GLU 54 1HB GLU 54 -13.183 -2.757 4.881 421 HB3 GLU 54 2HB GLU 54 -12.745 -1.685 6.203 422 HG2 GLU 54 1HG GLU 54 -14.176 0.086 5.249 423 HG3 GLU 54 2HG GLU 54 -14.618 -0.991 3.924 424 H ARG 55 H ARG 55 -9.438 -0.664 4.755 425 HA ARG 55 HA ARG 55 -9.930 1.823 6.300 426 HB2 ARG 55 1HB ARG 55 -7.317 0.309 6.096 427 HB3 ARG 55 2HB ARG 55 -7.793 1.503 7.295 428 HG2 ARG 55 1HG ARG 55 -9.123 -1.206 6.968 429 HG3 ARG 55 2HG ARG 55 -7.880 -0.839 8.160 430 HD2 ARG 55 1HD ARG 55 -9.381 1.023 9.003 431 HD3 ARG 55 2HD ARG 55 -10.642 0.375 7.957 432 HE ARG 55 HE ARG 55 -9.548 -1.666 9.625 433 HH11 ARG 55 1HH2 ARG 55 -11.639 1.079 9.529 434 HH12 ARG 55 2HH2 ARG 55 -12.639 0.542 10.838 435 HH21 ARG 55 1HH1 ARG 55 -10.850 -2.388 11.346 436 HH22 ARG 55 2HH1 ARG 55 -12.192 -1.425 11.870 437 H TYR 56 H TYR 56 -10.279 3.202 4.550 438 HA TYR 56 HA TYR 56 -8.363 3.473 2.411 439 HB2 TYR 56 1HB TYR 56 -10.390 5.598 3.119 440 HB3 TYR 56 2HB TYR 56 -9.833 5.078 1.527 441 HD1 TYR 56 HD1 TYR 56 -11.986 4.262 4.397 442 HD2 TYR 56 HD2 TYR 56 -10.794 3.082 0.440 443 HE1 TYR 56 HE1 TYR 56 -13.892 2.686 4.295 444 HE2 TYR 56 HE2 TYR 56 -12.714 1.505 0.341 445 HH TYR 56 HH TYR 56 -14.968 1.277 1.446 446 H GLU 57 H GLU 57 -9.035 5.056 5.475 447 HA GLU 57 HA GLU 57 -7.339 7.306 5.111 448 HB2 GLU 57 1HB GLU 57 -8.349 5.923 7.606 449 HB3 GLU 57 2HB GLU 57 -7.456 7.444 7.622 450 HG2 GLU 57 1HG GLU 57 -9.166 8.497 6.221 451 HG3 GLU 57 2HG GLU 57 -10.047 6.973 6.119 452 H GLU 58 H GLU 58 -6.842 4.185 6.740 453 HA GLU 58 HA GLU 58 -4.175 4.690 7.552 454 HB2 GLU 58 1HB GLU 58 -5.525 2.047 6.970 455 HB3 GLU 58 2HB GLU 58 -4.024 2.256 7.866 456 HG2 GLU 58 1HG GLU 58 -6.669 3.489 8.675 457 HG3 GLU 58 2HG GLU 58 -6.022 1.998 9.354 458 H ALA 59 H ALA 59 -5.514 3.037 4.703 459 HA ALA 59 HA ALA 59 -3.107 2.234 3.533 460 HB1 ALA 59 3HB ALA 59 -4.340 1.981 1.513 461 HB2 ALA 59 1HB ALA 59 -5.523 3.197 1.998 462 HB3 ALA 59 2HB ALA 59 -5.466 1.642 2.827 463 H VAL 60 H VAL 60 -4.879 5.301 3.202 464 HA VAL 60 HA VAL 60 -3.160 6.482 1.310 465 HB VAL 60 HB VAL 60 -5.027 7.650 3.389 466 HG11 VAL 60 1HG1 VAL 60 -3.391 9.379 3.107 467 HG12 VAL 60 2HG1 VAL 60 -4.727 9.816 2.045 468 HG13 VAL 60 3HG1 VAL 60 -3.271 9.080 1.373 469 HG21 VAL 60 3HG2 VAL 60 -5.862 6.398 1.296 470 HG22 VAL 60 1HG2 VAL 60 -5.210 7.743 0.363 471 HG23 VAL 60 2HG2 VAL 60 -6.492 8.025 1.541 472 H ASP 61 H ASP 61 -2.992 6.291 4.843 473 HA ASP 61 HA ASP 61 -0.939 8.155 5.268 474 HB2 ASP 61 1HB ASP 61 -2.298 7.079 7.065 475 HB3 ASP 61 2HB ASP 61 -1.396 5.590 6.803 476 H CYS 62 H CYS 62 -0.831 4.769 4.259 477 HA CYS 62 HA CYS 62 2.003 4.496 4.506 478 HB2 CYS 62 1HB CYS 62 0.002 2.938 2.853 479 HB3 CYS 62 2HB CYS 62 1.682 2.471 3.110 480 HG CYS 62 HG CYS 62 -0.570 2.301 5.217 481 H TYR 63 H TYR 63 -0.166 5.077 1.715 482 HA TYR 63 HA TYR 63 1.727 5.208 -0.303 483 HB2 TYR 63 1HB TYR 63 -0.504 5.383 -1.047 484 HB3 TYR 63 2HB TYR 63 -0.911 6.601 0.156 485 HD1 TYR 63 HD2 TYR 63 -0.114 8.950 -0.109 486 HD2 TYR 63 HD1 TYR 63 0.426 6.027 -3.208 487 HE1 TYR 63 HE2 TYR 63 0.343 10.764 -1.730 488 HE2 TYR 63 HE1 TYR 63 0.893 7.850 -4.828 489 HH TYR 63 HH TYR 63 1.657 10.198 -4.813 490 H ASN 64 H ASN 64 0.711 7.805 1.936 491 HA ASN 64 HA ASN 64 2.304 9.832 0.821 492 HB2 ASN 64 1HB ASN 64 1.312 9.422 3.648 493 HB3 ASN 64 2HB ASN 64 2.102 10.894 3.085 494 HD21 ASN 64 2HD2 ASN 64 1.014 11.616 0.782 495 HD22 ASN 64 1HD2 ASN 64 -0.682 11.670 0.828 496 H TYR 65 H TYR 65 3.056 7.186 2.986 497 HA TYR 65 HA TYR 65 5.460 8.118 4.079 498 HB2 TYR 65 1HB TYR 65 4.239 5.935 4.654 499 HB3 TYR 65 2HB TYR 65 5.001 5.241 3.221 500 HD1 TYR 65 HD1 TYR 65 7.411 4.946 3.070 501 HD2 TYR 65 HD2 TYR 65 5.579 6.493 6.635 502 HE1 TYR 65 HE1 TYR 65 9.489 4.486 4.332 503 HE2 TYR 65 HE2 TYR 65 7.663 6.034 7.902 504 HH TYR 65 HH TYR 65 9.745 5.296 7.799 505 H VAL 66 H VAL 66 4.887 6.268 1.089 506 HA VAL 66 HA VAL 66 7.606 6.217 0.267 507 HB VAL 66 HB VAL 66 5.052 5.916 -1.332 508 HG11 VAL 66 1HG1 VAL 66 7.954 5.445 -2.071 509 HG12 VAL 66 2HG1 VAL 66 6.802 6.501 -2.887 510 HG13 VAL 66 3HG1 VAL 66 6.606 4.754 -2.975 511 HG21 VAL 66 3HG2 VAL 66 5.498 4.243 0.491 512 HG22 VAL 66 1HG2 VAL 66 7.021 3.848 -0.307 513 HG23 VAL 66 2HG2 VAL 66 5.488 3.535 -1.123 514 H ILE 67 H ILE 67 4.898 8.355 -0.586 515 HA ILE 67 HA ILE 67 6.449 9.954 -2.391 516 HB ILE 67 HB ILE 67 3.717 10.211 -1.135 517 HG12 ILE 67 1HG1 ILE 67 3.127 10.403 -3.631 518 HG13 ILE 67 2HG1 ILE 67 4.795 9.985 -3.971 519 HG21 ILE 67 1HG2 ILE 67 5.227 12.385 -2.607 520 HG22 ILE 67 2HG2 ILE 67 4.402 12.500 -1.051 521 HG23 ILE 67 3HG2 ILE 67 3.464 12.351 -2.534 522 HD11 ILE 67 3HD1 ILE 67 3.302 8.009 -4.021 523 HD12 ILE 67 1HD1 ILE 67 2.872 8.300 -2.338 524 HD13 ILE 67 2HD1 ILE 67 4.527 7.861 -2.769 525 H ASN 68 H ASN 68 5.961 9.965 1.044 526 HA ASN 68 HA ASN 68 7.038 12.669 1.378 527 HB2 ASN 68 1HB ASN 68 5.254 11.853 2.863 528 HB3 ASN 68 2HB ASN 68 6.310 10.555 3.420 529 HD21 ASN 68 2HD2 ASN 68 5.252 13.629 4.222 530 HD22 ASN 68 1HD2 ASN 68 6.542 14.106 5.215 531 H VAL 69 H VAL 69 7.908 9.563 2.878 532 HA VAL 69 HA VAL 69 10.480 10.267 3.661 533 HB VAL 69 HB VAL 69 9.501 7.539 2.782 534 HG11 VAL 69 1HG1 VAL 69 11.315 6.779 4.400 535 HG12 VAL 69 2HG1 VAL 69 11.931 8.430 4.343 536 HG13 VAL 69 3HG1 VAL 69 11.875 7.457 2.872 537 HG21 VAL 69 3HG2 VAL 69 8.937 9.204 5.171 538 HG22 VAL 69 1HG2 VAL 69 9.594 7.627 5.598 539 HG23 VAL 69 2HG2 VAL 69 8.132 7.737 4.625 540 H ILE 70 H ILE 70 9.488 8.664 0.632 541 HA ILE 70 HA ILE 70 12.178 9.205 -0.518 542 HB ILE 70 HB ILE 70 10.015 7.373 -1.606 543 HG12 ILE 70 1HG1 ILE 70 12.472 6.598 -0.006 544 HG13 ILE 70 2HG1 ILE 70 10.853 6.689 0.683 545 HG21 ILE 70 1HG2 ILE 70 11.794 8.224 -3.167 546 HG22 ILE 70 2HG2 ILE 70 11.778 6.479 -2.974 547 HG23 ILE 70 3HG2 ILE 70 12.990 7.448 -2.139 548 HD11 ILE 70 3HD1 ILE 70 10.051 5.023 -0.947 549 HD12 ILE 70 1HD1 ILE 70 11.383 4.379 0.012 550 HD13 ILE 70 2HD1 ILE 70 11.668 4.921 -1.643 551 H GLU 71 H GLU 71 12.330 10.887 -1.845 552 HA GLU 71 HA GLU 71 10.186 12.530 -2.626 553 HB2 GLU 71 1HB GLU 71 12.558 13.260 -2.526 554 HB3 GLU 71 2HB GLU 71 12.896 12.286 -3.954 555 HG2 GLU 71 1HG GLU 71 11.295 13.609 -5.268 556 HG3 GLU 71 2HG GLU 71 10.881 14.551 -3.836 557 H ASP 72 H ASP 72 11.583 9.715 -4.125 558 HA ASP 72 HA ASP 72 10.808 9.936 -6.772 559 HB2 ASP 72 1HB ASP 72 10.628 7.442 -5.067 560 HB3 ASP 72 2HB ASP 72 10.721 7.497 -6.824 561 H GLU 73 H GLU 73 8.855 11.110 -6.863 562 HA GLU 73 HA GLU 73 6.395 9.747 -5.937 563 HB2 GLU 73 1HB GLU 73 5.291 11.916 -6.446 564 HB3 GLU 73 2HB GLU 73 6.572 12.063 -5.250 565 HG2 GLU 73 1HG GLU 73 6.903 13.893 -6.729 566 HG3 GLU 73 2HG GLU 73 8.117 12.712 -7.193 567 H TYR 74 H TYR 74 8.327 9.879 -8.627 568 HA TYR 74 HA TYR 74 6.222 9.984 -10.642 569 HB2 TYR 74 1HB TYR 74 8.532 10.895 -11.022 570 HB3 TYR 74 2HB TYR 74 9.137 9.238 -10.992 571 HD1 TYR 74 HD1 TYR 74 6.651 11.458 -12.661 572 HD2 TYR 74 HD2 TYR 74 9.031 7.896 -12.971 573 HE1 TYR 74 HE1 TYR 74 5.966 11.206 -15.026 574 HE2 TYR 74 HE2 TYR 74 8.343 7.645 -15.342 575 HH TYR 74 HH TYR 74 7.184 8.516 -17.024 576 H ASN 75 H ASN 75 5.686 8.015 -8.833 577 HA ASN 75 HA ASN 75 6.396 5.467 -10.203 578 HB2 ASN 75 1HB ASN 75 5.559 6.189 -7.408 579 HB3 ASN 75 2HB ASN 75 5.321 4.542 -7.996 580 HD21 ASN 75 2HD2 ASN 75 7.472 3.662 -9.150 581 HD22 ASN 75 1HD2 ASN 75 8.908 3.979 -8.303 582 H LYS 76 H LYS 76 4.983 5.123 -11.775 583 HA LYS 76 HA LYS 76 2.299 5.979 -11.839 584 HB2 LYS 76 1HB LYS 76 3.756 3.784 -13.326 585 HB3 LYS 76 2HB LYS 76 2.107 4.290 -13.698 586 HG2 LYS 76 1HG LYS 76 2.866 6.565 -14.154 587 HG3 LYS 76 2HG LYS 76 4.511 6.138 -13.683 588 HD2 LYS 76 1HD LYS 76 4.661 4.541 -15.511 589 HD3 LYS 76 2HD LYS 76 2.985 4.853 -15.961 590 HE2 LYS 76 1HE LYS 76 4.465 6.124 -17.428 591 HE3 LYS 76 2HE LYS 76 3.578 7.236 -16.385 592 HZ1 LYS 76 3HZ LYS 76 6.274 6.218 -15.703 593 HZ2 LYS 76 1HZ LYS 76 5.447 7.528 -15.013 594 HZ3 LYS 76 2HZ LYS 76 6.035 7.639 -16.603 595 H ASP 77 H ASP 77 3.821 3.024 -10.676 596 HA ASP 77 HA ASP 77 1.406 1.541 -10.329 597 HB2 ASP 77 1HB ASP 77 4.129 1.248 -9.043 598 HB3 ASP 77 2HB ASP 77 2.813 0.087 -8.870 599 H VAL 78 H VAL 78 3.444 3.408 -8.102 600 HA VAL 78 HA VAL 78 1.873 2.945 -5.798 601 HB VAL 78 HB VAL 78 3.688 5.260 -6.442 602 HG11 VAL 78 1HG1 VAL 78 2.420 4.351 -3.857 603 HG12 VAL 78 2HG1 VAL 78 2.308 5.935 -4.624 604 HG13 VAL 78 3HG1 VAL 78 3.829 5.413 -3.908 605 HG21 VAL 78 3HG2 VAL 78 5.433 4.018 -5.382 606 HG22 VAL 78 1HG2 VAL 78 4.642 2.862 -6.455 607 HG23 VAL 78 2HG2 VAL 78 4.301 2.838 -4.726 608 H TRP 79 H TRP 79 1.945 5.750 -7.998 609 HA TRP 79 HA TRP 79 -0.150 7.173 -6.775 610 HB2 TRP 79 1HB TRP 79 1.083 7.173 -9.516 611 HB3 TRP 79 2HB TRP 79 -0.385 8.107 -9.246 612 HD1 TRP 79 HD1 TRP 79 3.151 7.756 -7.675 613 HE1 TRP 79 HE1 TRP 79 3.857 10.077 -6.801 614 HE3 TRP 79 HE3 TRP 79 -1.085 10.407 -8.707 615 HZ2 TRP 79 HZ2 TRP 79 2.762 12.713 -6.569 616 HZ3 TRP 79 HZ3 TRP 79 -1.230 12.815 -8.150 617 HH2 TRP 79 HH2 TRP 79 0.686 13.972 -7.086 618 H ALA 80 H ALA 80 -0.220 4.727 -9.356 619 HA ALA 80 HA ALA 80 -2.975 4.914 -9.913 620 HB1 ALA 80 3HB ALA 80 -2.681 2.586 -10.811 621 HB2 ALA 80 1HB ALA 80 -1.036 2.606 -10.173 622 HB3 ALA 80 2HB ALA 80 -1.508 3.749 -11.430 623 H ALA 81 H ALA 81 -1.160 3.042 -7.523 624 HA ALA 81 HA ALA 81 -3.264 1.400 -6.630 625 HB1 ALA 81 3HB ALA 81 -0.897 1.022 -6.055 626 HB2 ALA 81 1HB ALA 81 -1.911 1.084 -4.614 627 HB3 ALA 81 2HB ALA 81 -0.914 2.472 -5.050 628 H LYS 82 H LYS 82 -2.173 4.601 -5.537 629 HA LYS 82 HA LYS 82 -3.910 4.885 -3.355 630 HB2 LYS 82 1HB LYS 82 -1.949 6.398 -4.072 631 HB3 LYS 82 2HB LYS 82 -3.095 7.181 -5.159 632 HG2 LYS 82 1HG LYS 82 -4.596 7.538 -3.145 633 HG3 LYS 82 2HG LYS 82 -3.271 6.976 -2.136 634 HD2 LYS 82 1HD LYS 82 -1.840 8.749 -3.045 635 HD3 LYS 82 2HD LYS 82 -3.164 9.329 -4.037 636 HE2 LYS 82 1HE LYS 82 -4.489 9.754 -1.986 637 HE3 LYS 82 2HE LYS 82 -3.122 9.227 -1.010 638 HZ1 LYS 82 3HZ LYS 82 -3.121 11.611 -1.197 639 HZ2 LYS 82 1HZ LYS 82 -3.159 11.522 -2.890 640 HZ3 LYS 82 2HZ LYS 82 -1.789 10.984 -2.044 641 H ALA 83 H ALA 83 -4.363 5.604 -6.795 642 HA ALA 83 HA ALA 83 -6.763 6.978 -6.746 643 HB1 ALA 83 3HB ALA 83 -6.059 4.818 -8.741 644 HB2 ALA 83 1HB ALA 83 -5.398 6.453 -8.785 645 HB3 ALA 83 2HB ALA 83 -7.132 6.196 -8.994 646 H ASP 84 H ASP 84 -6.293 3.450 -6.790 647 HA ASP 84 HA ASP 84 -8.980 2.692 -6.799 648 HB2 ASP 84 1HB ASP 84 -6.551 1.372 -5.571 649 HB3 ASP 84 2HB ASP 84 -8.134 0.599 -5.635 650 H ALA 85 H ALA 85 -6.845 3.503 -4.067 651 HA ALA 85 HA ALA 85 -8.713 2.906 -2.026 652 HB1 ALA 85 3HB ALA 85 -7.257 4.158 -0.548 653 HB2 ALA 85 1HB ALA 85 -6.484 4.948 -1.923 654 HB3 ALA 85 2HB ALA 85 -6.256 3.220 -1.660 655 H LEU 86 H LEU 86 -7.974 5.876 -3.799 656 HA LEU 86 HA LEU 86 -9.728 7.561 -2.338 657 HB2 LEU 86 1HB LEU 86 -8.605 7.768 -5.141 658 HB3 LEU 86 2HB LEU 86 -9.468 9.067 -4.327 659 HG LEU 86 HG LEU 86 -6.978 7.755 -3.187 660 HD11 LEU 86 1HD1 LEU 86 -6.380 8.811 -5.296 661 HD12 LEU 86 2HD1 LEU 86 -5.796 9.816 -3.972 662 HD13 LEU 86 3HD1 LEU 86 -7.254 10.275 -4.853 663 HD21 LEU 86 3HD2 LEU 86 -6.937 10.086 -1.986 664 HD22 LEU 86 1HD2 LEU 86 -8.069 8.873 -1.407 665 HD23 LEU 86 2HD2 LEU 86 -8.635 10.180 -2.443 666 H ARG 87 H ARG 87 -10.231 5.193 -4.798 667 HA ARG 87 HA ARG 87 -12.707 6.259 -5.790 668 HB2 ARG 87 1HB ARG 87 -11.120 4.586 -6.940 669 HB3 ARG 87 2HB ARG 87 -11.875 3.358 -5.929 670 HG2 ARG 87 1HG ARG 87 -14.094 3.952 -6.861 671 HG3 ARG 87 2HG ARG 87 -13.344 5.203 -7.844 672 HD2 ARG 87 1HD ARG 87 -11.957 3.455 -8.933 673 HD3 ARG 87 2HD ARG 87 -12.818 2.229 -8.004 674 HE ARG 87 HE ARG 87 -13.835 3.717 -10.284 675 HH11 ARG 87 1HH2 ARG 87 -14.547 1.853 -7.454 676 HH12 ARG 87 2HH2 ARG 87 -16.128 1.390 -7.989 677 HH21 ARG 87 1HH1 ARG 87 -15.915 3.127 -10.982 678 HH22 ARG 87 2HH1 ARG 87 -16.902 2.111 -9.985 679 H TYR 88 H TYR 88 -12.380 5.925 -2.861 680 HA TYR 88 HA TYR 88 -15.020 4.862 -2.303 681 HB2 TYR 88 1HB TYR 88 -12.542 3.494 -1.217 682 HB3 TYR 88 2HB TYR 88 -14.157 3.281 -0.535 683 HD1 TYR 88 HD1 TYR 88 -15.987 2.308 -1.909 684 HD2 TYR 88 HD2 TYR 88 -11.930 2.435 -3.307 685 HE1 TYR 88 HE1 TYR 88 -16.538 0.638 -3.656 686 HE2 TYR 88 HE2 TYR 88 -12.482 0.763 -5.059 687 HH TYR 88 HH TYR 88 -15.688 -0.747 -5.206 688 H ILE 89 H ILE 89 -13.477 7.374 -2.055 689 HA ILE 89 HA ILE 89 -13.963 7.893 0.833 690 HB ILE 89 HB ILE 89 -11.474 7.781 0.151 691 HG12 ILE 89 1HG1 ILE 89 -12.436 10.412 1.329 692 HG13 ILE 89 2HG1 ILE 89 -12.374 8.899 2.233 693 HG21 ILE 89 1HG2 ILE 89 -10.521 9.565 -1.084 694 HG22 ILE 89 2HG2 ILE 89 -11.971 10.561 -0.942 695 HG23 ILE 89 3HG2 ILE 89 -11.970 9.154 -1.996 696 HD11 ILE 89 3HD1 ILE 89 -9.946 8.737 1.795 697 HD12 ILE 89 1HD1 ILE 89 -10.346 10.228 2.647 698 HD13 ILE 89 2HD1 ILE 89 -10.005 10.265 0.918 699 H GLU 90 H GLU 90 -15.096 9.699 1.302 700 HA GLU 90 HA GLU 90 -16.385 11.096 -0.904 701 HB2 GLU 90 1HB GLU 90 -16.658 11.321 2.104 702 HB3 GLU 90 2HB GLU 90 -17.615 12.251 0.949 703 HG2 GLU 90 1HG GLU 90 -18.481 10.190 -0.042 704 HG3 GLU 90 2HG GLU 90 -17.479 9.224 1.038 705 H GLY 91 H GLY 91 -16.381 13.394 -1.139 706 HA2 GLY 91 1HA GLY 91 -14.991 15.317 0.215 707 HA3 GLY 91 2HA GLY 91 -13.769 14.569 -0.811 708 H LYS 92 H LYS 92 -14.203 17.162 -1.283 709 HA LYS 92 HA LYS 92 -16.280 17.694 -3.188 710 HB2 LYS 92 1HB LYS 92 -13.756 19.194 -2.447 711 HB3 LYS 92 2HB LYS 92 -14.954 19.795 -3.595 712 HG2 LYS 92 1HG LYS 92 -16.684 19.781 -1.890 713 HG3 LYS 92 2HG LYS 92 -15.603 18.997 -0.744 714 HD2 LYS 92 1HD LYS 92 -15.629 21.323 -0.165 715 HD3 LYS 92 2HD LYS 92 -14.079 21.014 -0.939 716 HE2 LYS 92 1HE LYS 92 -14.777 22.052 -2.974 717 HE3 LYS 92 2HE LYS 92 -16.472 22.052 -2.483 718 HZ1 LYS 92 3HZ LYS 92 -15.423 24.234 -2.231 719 HZ2 LYS 92 1HZ LYS 92 -14.303 23.576 -1.141 720 HZ3 LYS 92 2HZ LYS 92 -15.953 23.615 -0.739 721 H GLU 93 H GLU 93 -16.136 17.881 -5.400 722 HA GLU 93 HA GLU 93 -15.487 17.310 -7.525 723 HB2 GLU 93 1HB GLU 93 -13.729 19.009 -7.024 724 HB3 GLU 93 2HB GLU 93 -12.684 17.712 -6.445 725 HG2 GLU 93 1HG GLU 93 -12.719 16.648 -8.643 726 HG3 GLU 93 2HG GLU 93 -13.865 17.849 -9.236 727 H VAL 94 H VAL 94 -14.706 15.571 -8.797 728 HA VAL 94 HA VAL 94 -14.677 13.068 -7.441 729 HB VAL 94 HB VAL 94 -13.770 13.530 -10.288 730 HG11 VAL 94 1HG1 VAL 94 -14.813 11.307 -10.617 731 HG12 VAL 94 2HG1 VAL 94 -15.231 11.259 -8.905 732 HG13 VAL 94 3HG1 VAL 94 -13.540 11.245 -9.398 733 HG21 VAL 94 3HG2 VAL 94 -16.210 13.260 -10.868 734 HG22 VAL 94 1HG2 VAL 94 -15.824 14.779 -10.061 735 HG23 VAL 94 2HG2 VAL 94 -16.580 13.467 -9.157 736 H GLU 95 H GLU 95 -12.961 13.021 -5.996 737 HA GLU 95 HA GLU 95 -10.296 13.727 -6.577 738 HB2 GLU 95 1HB GLU 95 -11.431 11.774 -4.565 739 HB3 GLU 95 2HB GLU 95 -9.730 12.239 -4.619 740 HG2 GLU 95 1HG GLU 95 -10.329 14.585 -4.275 741 HG3 GLU 95 2HG GLU 95 -12.043 14.176 -4.310 742 H ALA 96 H ALA 96 -11.915 10.555 -6.688 743 HA ALA 96 HA ALA 96 -9.748 8.978 -7.392 744 HB1 ALA 96 3HB ALA 96 -11.330 7.374 -8.164 745 HB2 ALA 96 1HB ALA 96 -12.513 8.623 -8.563 746 HB3 ALA 96 2HB ALA 96 -12.140 8.268 -6.879 747 H GLU 97 H GLU 97 -11.529 11.276 -9.326 748 HA GLU 97 HA GLU 97 -10.564 10.331 -11.870 749 HB2 GLU 97 1HB GLU 97 -12.654 11.686 -11.558 750 HB3 GLU 97 2HB GLU 97 -11.632 13.073 -11.188 751 HG2 GLU 97 1HG GLU 97 -10.575 12.930 -13.382 752 HG3 GLU 97 2HG GLU 97 -11.502 11.478 -13.759 753 H ILE 98 H ILE 98 -9.630 12.906 -9.613 754 HA ILE 98 HA ILE 98 -7.639 14.102 -11.197 755 HB ILE 98 HB ILE 98 -7.701 13.860 -8.173 756 HG12 ILE 98 1HG1 ILE 98 -8.857 16.034 -9.953 757 HG13 ILE 98 2HG1 ILE 98 -9.820 14.761 -9.214 758 HG21 ILE 98 1HG2 ILE 98 -5.564 14.693 -9.110 759 HG22 ILE 98 2HG2 ILE 98 -6.422 15.967 -8.258 760 HG23 ILE 98 3HG2 ILE 98 -6.445 15.916 -10.020 761 HD11 ILE 98 3HD1 ILE 98 -8.838 15.545 -6.965 762 HD12 ILE 98 1HD1 ILE 98 -10.015 16.606 -7.737 763 HD13 ILE 98 2HD1 ILE 98 -8.293 16.975 -7.841 764 H ALA 99 H ALA 99 -7.414 11.498 -8.751 765 HA ALA 99 HA ALA 99 -4.610 11.139 -9.078 766 HB1 ALA 99 3HB ALA 99 -5.826 10.401 -7.069 767 HB2 ALA 99 1HB ALA 99 -4.938 9.071 -7.814 768 HB3 ALA 99 2HB ALA 99 -6.683 9.200 -8.036 769 H GLU 100 H GLU 100 -7.446 9.462 -10.400 770 HA GLU 100 HA GLU 100 -6.073 7.452 -11.795 771 HB2 GLU 100 1HB GLU 100 -8.530 7.472 -11.435 772 HB3 GLU 100 2HB GLU 100 -8.673 8.797 -12.587 773 HG2 GLU 100 1HG GLU 100 -9.182 6.719 -13.729 774 HG3 GLU 100 2HG GLU 100 -7.636 7.303 -14.329 775 H ALA 101 H ALA 101 -7.077 10.704 -12.859 776 HA ALA 101 HA ALA 101 -6.010 10.446 -15.487 777 HB1 ALA 101 3HB ALA 101 -6.555 12.962 -13.896 778 HB2 ALA 101 1HB ALA 101 -7.737 12.107 -14.884 779 HB3 ALA 101 2HB ALA 101 -6.334 12.859 -15.642 780 H ARG 102 H ARG 102 -4.739 11.886 -12.497 781 HA ARG 102 HA ARG 102 -2.331 12.877 -13.590 782 HB2 ARG 102 1HB ARG 102 -3.114 12.058 -10.796 783 HB3 ARG 102 2HB ARG 102 -1.470 12.580 -11.150 784 HG2 ARG 102 1HG ARG 102 -2.332 14.714 -12.033 785 HG3 ARG 102 2HG ARG 102 -3.979 14.207 -11.679 786 HD2 ARG 102 1HD ARG 102 -3.336 13.945 -9.280 787 HD3 ARG 102 2HD ARG 102 -1.737 14.561 -9.677 788 HE ARG 102 HE ARG 102 -3.831 16.352 -10.502 789 HH11 ARG 102 1HH2 ARG 102 -1.903 15.241 -7.843 790 HH12 ARG 102 2HH2 ARG 102 -2.032 16.723 -6.954 791 HH21 ARG 102 1HH1 ARG 102 -3.998 18.293 -9.340 792 HH22 ARG 102 2HH1 ARG 102 -3.216 18.449 -7.802 793 H ALA 103 H ALA 103 -3.170 9.662 -12.358 794 HA ALA 103 HA ALA 103 -0.555 8.585 -12.336 795 HB1 ALA 103 3HB ALA 103 -2.562 7.544 -11.260 796 HB2 ALA 103 1HB ALA 103 -1.636 6.421 -12.256 797 HB3 ALA 103 2HB ALA 103 -3.142 7.106 -12.865 798 H LYS 104 H LYS 104 -3.026 8.760 -14.863 799 HA LYS 104 HA LYS 104 -1.257 7.423 -16.805 800 HB2 LYS 104 1HB LYS 104 -4.106 8.405 -17.004 801 HB3 LYS 104 2HB LYS 104 -3.232 7.639 -18.328 802 HG2 LYS 104 1HG LYS 104 -2.840 5.656 -16.803 803 HG3 LYS 104 2HG LYS 104 -3.943 6.408 -15.652 804 HD2 LYS 104 1HD LYS 104 -4.661 5.728 -18.523 805 HD3 LYS 104 2HD LYS 104 -5.060 4.723 -17.132 806 HE2 LYS 104 1HE LYS 104 -6.225 6.814 -16.169 807 HE3 LYS 104 2HE LYS 104 -6.101 7.480 -17.797 808 HZ1 LYS 104 3HZ LYS 104 -8.190 6.385 -17.584 809 HZ2 LYS 104 1HZ LYS 104 -7.460 4.968 -17.002 810 HZ3 LYS 104 2HZ LYS 104 -7.212 5.449 -18.612 811 H LEU 105 H LEU 105 -2.034 10.558 -15.763 812 HA LEU 105 HA LEU 105 -1.163 11.772 -18.331 813 HB2 LEU 105 1HB LEU 105 -3.296 12.587 -17.286 814 HB3 LEU 105 2HB LEU 105 -2.347 13.159 -15.922 815 HG LEU 105 HG LEU 105 -1.020 14.594 -17.481 816 HD11 LEU 105 1HD1 LEU 105 -1.143 13.703 -19.636 817 HD12 LEU 105 2HD1 LEU 105 -2.326 14.998 -19.755 818 HD13 LEU 105 3HD1 LEU 105 -2.862 13.336 -19.508 819 HD21 LEU 105 3HD2 LEU 105 -2.931 16.197 -17.920 820 HD22 LEU 105 1HD2 LEU 105 -2.847 15.584 -16.269 821 HD23 LEU 105 2HD2 LEU 105 -4.031 14.923 -17.396 822 H GLU 106 H GLU 106 0.921 12.122 -18.470 823 HA GLU 106 HA GLU 106 2.352 13.428 -16.254 824 HB2 GLU 106 1HB GLU 106 3.205 10.805 -17.507 825 HB3 GLU 106 2HB GLU 106 4.292 11.837 -16.584 826 HG2 GLU 106 1HG GLU 106 2.794 11.669 -14.625 827 HG3 GLU 106 2HG GLU 106 1.711 10.629 -15.542 828 H HIS 107 H HIS 107 1.752 12.935 -19.551 829 HA HIS 107 HA HIS 107 4.222 14.058 -20.565 830 HB2 HIS 107 1HB HIS 107 1.559 13.648 -21.947 831 HB3 HIS 107 2HB HIS 107 3.095 14.003 -22.733 832 HD1 HIS 107 HD1 HIS 107 5.059 12.128 -22.186 833 HD2 HIS 107 HD2 HIS 107 1.099 10.949 -21.632 834 HE1 HIS 107 HE1 HIS 107 5.063 9.595 -22.148 835 HE2 HIS 107 HE2 HIS 107 2.655 8.863 -21.811 836 H HIS 108 H HIS 108 4.051 16.025 -22.049 837 HA HIS 108 HA HIS 108 3.061 18.246 -20.491 838 HB2 HIS 108 1HB HIS 108 4.281 18.215 -23.265 839 HB3 HIS 108 2HB HIS 108 4.066 19.629 -22.234 840 HD1 HIS 108 HD1 HIS 108 6.115 16.504 -22.587 841 HD2 HIS 108 HD2 HIS 108 5.919 19.826 -20.077 842 HE1 HIS 108 HE1 HIS 108 8.212 16.454 -21.168 843 HE2 HIS 108 HE2 HIS 108 8.107 18.474 -19.631 844 H HIS 109 H HIS 109 1.398 19.647 -21.012 845 HA HIS 109 HA HIS 109 -0.840 18.560 -22.393 846 HB2 HIS 109 1HB HIS 109 -0.275 21.355 -21.371 847 HB3 HIS 109 2HB HIS 109 -1.828 20.843 -22.031 848 HD1 HIS 109 HD1 HIS 109 0.440 20.357 -19.077 849 HD2 HIS 109 HD2 HIS 109 -3.325 19.097 -20.348 850 HE1 HIS 109 HE1 HIS 109 -0.651 19.241 -17.084 851 HE2 HIS 109 HE2 HIS 109 -2.948 18.467 -17.843 852 H HIS 110 H HIS 110 1.594 20.991 -23.241 853 HA HIS 110 HA HIS 110 0.369 21.741 -25.713 854 HB2 HIS 110 1HB HIS 110 3.223 22.021 -24.739 855 HB3 HIS 110 2HB HIS 110 2.573 22.785 -26.190 856 HD1 HIS 110 HD1 HIS 110 0.567 24.523 -25.794 857 HD2 HIS 110 HD2 HIS 110 2.639 23.372 -22.365 858 HE1 HIS 110 HE1 HIS 110 -0.037 26.201 -23.996 859 HE2 HIS 110 HE2 HIS 110 1.219 25.513 -21.898 860 H HIS 111 H HIS 111 0.196 20.508 -27.447 861 HA HIS 111 HA HIS 111 1.568 18.038 -27.780 862 HB2 HIS 111 1HB HIS 111 -0.036 19.707 -29.731 863 HB3 HIS 111 2HB HIS 111 0.539 18.072 -30.057 864 HD1 HIS 111 HD1 HIS 111 -0.320 16.198 -28.268 865 HD2 HIS 111 HD2 HIS 111 -2.437 19.788 -28.341 866 HE1 HIS 111 HE1 HIS 111 -2.524 15.754 -27.103 867 HE2 HIS 111 HE2 HIS 111 -3.827 17.934 -27.139 868 H HIS 112 H HIS 112 1.996 21.271 -29.161 869 HA HIS 112 HA HIS 112 3.965 20.630 -31.063 870 HB2 HIS 112 1HB HIS 112 2.774 22.795 -30.987 871 HB3 HIS 112 2HB HIS 112 3.634 23.204 -29.503 872 HD1 HIS 112 HD1 HIS 112 4.437 22.234 -33.103 873 HD2 HIS 112 HD2 HIS 112 6.078 24.423 -29.958 874 HE1 HIS 112 HE1 HIS 112 6.532 23.331 -34.011 875 HE2 HIS 112 HE2 HIS 112 7.543 24.669 -32.106 Start of MODEL 8 1 H1 MET 1 1H MET 1 23.569 -8.416 -0.892 2 H2 MET 1 2H MET 1 24.692 -9.421 -0.106 3 H3 MET 1 3H MET 1 24.449 -7.830 0.435 4 HA MET 1 HA MET 1 22.085 -9.512 0.366 5 HB2 MET 1 1HB MET 1 22.704 -10.585 2.518 6 HB3 MET 1 2HB MET 1 23.751 -11.106 1.200 7 HG2 MET 1 1HG MET 1 25.404 -9.347 1.901 8 HG3 MET 1 2HG MET 1 24.389 -9.015 3.302 9 HE1 MET 1 3HE MET 1 24.743 -11.870 5.647 10 HE2 MET 1 1HE MET 1 23.377 -11.405 4.633 11 HE3 MET 1 2HE MET 1 24.383 -10.166 5.380 12 H VAL 2 H VAL 2 24.224 -7.078 1.606 13 HA VAL 2 HA VAL 2 22.651 -6.180 3.789 14 HB VAL 2 HB VAL 2 23.992 -4.104 3.621 15 HG11 VAL 2 1HG1 VAL 2 24.887 -6.206 4.694 16 HG12 VAL 2 2HG1 VAL 2 26.136 -5.123 4.077 17 HG13 VAL 2 3HG1 VAL 2 25.699 -6.571 3.169 18 HG21 VAL 2 3HG2 VAL 2 24.967 -5.410 1.064 19 HG22 VAL 2 1HG2 VAL 2 25.764 -4.038 1.836 20 HG23 VAL 2 2HG2 VAL 2 24.124 -3.867 1.212 21 H ASP 3 H ASP 3 22.521 -5.605 0.344 22 HA ASP 3 HA ASP 3 20.968 -3.248 0.336 23 HB2 ASP 3 1HB ASP 3 21.219 -5.518 -1.656 24 HB3 ASP 3 2HB ASP 3 20.296 -4.048 -1.977 25 H GLN 4 H GLN 4 20.088 -6.671 0.378 26 HA GLN 4 HA GLN 4 17.366 -5.932 1.290 27 HB2 GLN 4 1HB GLN 4 18.015 -7.974 -0.860 28 HB3 GLN 4 2HB GLN 4 16.427 -7.728 -0.134 29 HG2 GLN 4 1HG GLN 4 17.975 -5.553 -1.567 30 HG3 GLN 4 2HG GLN 4 16.742 -6.540 -2.332 31 HE21 GLN 4 2HE2 GLN 4 14.731 -6.676 -0.441 32 HE22 GLN 4 1HE2 GLN 4 14.169 -5.120 -0.058 33 H ASN 5 H ASN 5 17.443 -6.630 3.314 34 HA ASN 5 HA ASN 5 18.804 -9.114 4.012 35 HB2 ASN 5 1HB ASN 5 18.860 -6.956 5.397 36 HB3 ASN 5 2HB ASN 5 17.219 -7.351 5.884 37 HD21 ASN 5 2HD2 ASN 5 18.340 -10.347 5.469 38 HD22 ASN 5 1HD2 ASN 5 19.026 -10.648 6.993 39 HA PRO 6 HA PRO 6 14.334 -10.351 4.982 40 HB2 PRO 6 1HB PRO 6 12.264 -8.945 3.803 41 HB3 PRO 6 2HB PRO 6 12.989 -8.512 5.353 42 HG2 PRO 6 1HG PRO 6 13.262 -7.226 2.714 43 HG3 PRO 6 2HG PRO 6 13.473 -6.530 4.319 44 HD2 PRO 6 1HD PRO 6 15.541 -7.407 2.523 45 HD3 PRO 6 2HD PRO 6 15.744 -6.809 4.178 46 H GLU 7 H GLU 7 15.884 -11.368 2.984 47 HA GLU 7 HA GLU 7 14.513 -11.630 0.486 48 HB2 GLU 7 1HB GLU 7 16.809 -13.158 1.731 49 HB3 GLU 7 2HB GLU 7 16.216 -13.437 0.095 50 HG2 GLU 7 1HG GLU 7 16.692 -11.107 -0.505 51 HG3 GLU 7 2HG GLU 7 17.220 -10.772 1.143 52 H GLU 8 H GLU 8 14.904 -13.691 3.348 53 HA GLU 8 HA GLU 8 13.348 -15.850 2.317 54 HB2 GLU 8 1HB GLU 8 14.087 -15.151 5.172 55 HB3 GLU 8 2HB GLU 8 13.366 -16.674 4.655 56 HG2 GLU 8 1HG GLU 8 15.980 -15.592 3.570 57 HG3 GLU 8 2HG GLU 8 15.870 -16.769 4.878 58 H TYR 9 H TYR 9 12.626 -12.973 4.165 59 HA TYR 9 HA TYR 9 10.106 -13.541 5.205 60 HB2 TYR 9 1HB TYR 9 11.187 -10.957 4.079 61 HB3 TYR 9 2HB TYR 9 9.713 -11.074 5.027 62 HD1 TYR 9 HD1 TYR 9 12.242 -13.493 6.127 63 HD2 TYR 9 HD2 TYR 9 10.990 -9.370 6.538 64 HE1 TYR 9 HE1 TYR 9 13.513 -13.348 8.128 65 HE2 TYR 9 HE2 TYR 9 12.372 -9.255 8.611 66 HH TYR 9 HH TYR 9 13.341 -11.807 10.312 67 H TYR 10 H TYR 10 11.052 -13.092 1.921 68 HA TYR 10 HA TYR 10 8.741 -12.255 0.683 69 HB2 TYR 10 1HB TYR 10 9.765 -12.947 -1.279 70 HB3 TYR 10 2HB TYR 10 11.148 -13.107 -0.212 71 HD1 TYR 10 HD1 TYR 10 11.514 -15.394 0.934 72 HD2 TYR 10 HD2 TYR 10 8.905 -14.848 -2.413 73 HE1 TYR 10 HE1 TYR 10 11.589 -17.828 0.502 74 HE2 TYR 10 HE2 TYR 10 8.979 -17.286 -2.862 75 HH TYR 10 HH TYR 10 9.708 -19.260 -2.166 76 H LEU 11 H LEU 11 9.295 -15.210 2.401 77 HA LEU 11 HA LEU 11 7.677 -17.092 1.284 78 HB2 LEU 11 1HB LEU 11 7.334 -17.987 3.489 79 HB3 LEU 11 2HB LEU 11 8.960 -17.320 3.407 80 HG LEU 11 HG LEU 11 7.582 -15.107 4.322 81 HD11 LEU 11 1HD1 LEU 11 5.435 -16.236 4.579 82 HD12 LEU 11 2HD1 LEU 11 6.102 -15.932 6.178 83 HD13 LEU 11 3HD1 LEU 11 6.192 -17.550 5.480 84 HD21 LEU 11 3HD2 LEU 11 9.631 -15.977 5.324 85 HD22 LEU 11 1HD2 LEU 11 8.754 -17.358 5.989 86 HD23 LEU 11 2HD2 LEU 11 8.425 -15.736 6.585 87 H GLU 12 H GLU 12 6.736 -14.058 2.657 88 HA GLU 12 HA GLU 12 4.082 -14.544 3.294 89 HB2 GLU 12 1HB GLU 12 3.739 -12.123 2.842 90 HB3 GLU 12 2HB GLU 12 5.145 -12.452 3.846 91 HG2 GLU 12 1HG GLU 12 6.205 -11.039 2.346 92 HG3 GLU 12 2HG GLU 12 6.363 -12.493 1.403 93 H GLY 13 H GLY 13 5.425 -13.410 0.223 94 HA2 GLY 13 1HA GLY 13 3.346 -13.061 -1.435 95 HA3 GLY 13 2HA GLY 13 4.739 -13.997 -1.961 96 H VAL 14 H VAL 14 4.309 -16.196 -0.128 97 HA VAL 14 HA VAL 14 2.405 -17.720 -1.648 98 HB VAL 14 HB VAL 14 3.858 -18.429 0.909 99 HG11 VAL 14 1HG1 VAL 14 3.482 -20.771 0.031 100 HG12 VAL 14 2HG1 VAL 14 2.393 -20.075 -1.172 101 HG13 VAL 14 3HG1 VAL 14 2.014 -19.939 0.546 102 HG21 VAL 14 3HG2 VAL 14 5.493 -19.504 -0.563 103 HG22 VAL 14 1HG2 VAL 14 5.373 -17.789 -0.953 104 HG23 VAL 14 2HG2 VAL 14 4.585 -18.983 -1.983 105 H LEU 15 H LEU 15 2.577 -16.669 1.752 106 HA LEU 15 HA LEU 15 0.268 -17.720 2.779 107 HB2 LEU 15 1HB LEU 15 1.250 -14.880 3.217 108 HB3 LEU 15 2HB LEU 15 0.118 -15.737 4.259 109 HG LEU 15 HG LEU 15 2.979 -16.593 3.701 110 HD11 LEU 15 1HD1 LEU 15 2.643 -14.532 5.152 111 HD12 LEU 15 2HD1 LEU 15 3.442 -15.880 5.963 112 HD13 LEU 15 3HD1 LEU 15 1.736 -15.553 6.265 113 HD21 LEU 15 3HD2 LEU 15 1.919 -18.614 4.180 114 HD22 LEU 15 1HD2 LEU 15 0.680 -17.866 5.191 115 HD23 LEU 15 2HD2 LEU 15 2.321 -18.092 5.810 116 H GLN 16 H GLN 16 0.301 -14.386 1.499 117 HA GLN 16 HA GLN 16 -2.427 -13.990 1.359 118 HB2 GLN 16 1HB GLN 16 -1.653 -12.635 -0.892 119 HB3 GLN 16 2HB GLN 16 -1.311 -12.043 0.731 120 HG2 GLN 16 1HG GLN 16 0.921 -12.897 0.691 121 HG3 GLN 16 2HG GLN 16 0.597 -13.868 -0.735 122 HE21 GLN 16 2HE2 GLN 16 1.718 -10.800 0.344 123 HE22 GLN 16 1HE2 GLN 16 1.796 -10.052 -1.178 124 H TYR 17 H TYR 17 -0.410 -15.213 -1.366 125 HA TYR 17 HA TYR 17 -2.412 -15.761 -3.180 126 HB2 TYR 17 1HB TYR 17 0.012 -15.987 -3.636 127 HB3 TYR 17 2HB TYR 17 0.050 -17.445 -2.644 128 HD1 TYR 17 HD2 TYR 17 -1.193 -15.948 -5.781 129 HD2 TYR 17 HD1 TYR 17 -0.932 -19.538 -3.434 130 HE1 TYR 17 HE2 TYR 17 -1.925 -17.281 -7.737 131 HE2 TYR 17 HE1 TYR 17 -1.665 -20.871 -5.394 132 HH TYR 17 HH TYR 17 -3.101 -20.297 -7.570 133 H ASP 18 H ASP 18 -0.983 -18.197 -0.972 134 HA ASP 18 HA ASP 18 -3.156 -20.033 -1.400 135 HB2 ASP 18 1HB ASP 18 -0.861 -20.797 -0.907 136 HB3 ASP 18 2HB ASP 18 -0.965 -20.061 0.689 137 H ALA 19 H ALA 19 -1.965 -18.945 1.746 138 HA ALA 19 HA ALA 19 -4.546 -19.162 2.961 139 HB1 ALA 19 3HB ALA 19 -3.444 -18.241 4.963 140 HB2 ALA 19 1HB ALA 19 -2.021 -17.839 4.000 141 HB3 ALA 19 2HB ALA 19 -2.474 -19.527 4.240 142 H GLY 20 H GLY 20 -6.089 -17.789 2.257 143 HA2 GLY 20 1HA GLY 20 -5.696 -15.117 1.392 144 HA3 GLY 20 2HA GLY 20 -7.240 -15.859 1.799 145 H ASN 21 H ASN 21 -4.335 -14.477 3.301 146 HA ASN 21 HA ASN 21 -6.057 -13.211 5.355 147 HB2 ASN 21 1HB ASN 21 -3.520 -14.774 5.894 148 HB3 ASN 21 2HB ASN 21 -4.371 -13.776 7.071 149 HD21 ASN 21 2HD2 ASN 21 -3.948 -16.890 6.555 150 HD22 ASN 21 1HD2 ASN 21 -5.499 -17.506 6.856 151 H TYR 22 H TYR 22 -5.457 -11.651 3.436 152 HA TYR 22 HA TYR 22 -3.019 -10.485 3.038 153 HB2 TYR 22 1HB TYR 22 -5.671 -9.070 3.431 154 HB3 TYR 22 2HB TYR 22 -4.235 -8.325 2.728 155 HD1 TYR 22 HD1 TYR 22 -6.903 -10.821 2.236 156 HD2 TYR 22 HD2 TYR 22 -3.431 -8.975 0.507 157 HE1 TYR 22 HE1 TYR 22 -7.497 -11.772 0.024 158 HE2 TYR 22 HE2 TYR 22 -4.026 -9.925 -1.704 159 HH TYR 22 HH TYR 22 -6.519 -12.303 -2.069 160 H THR 23 H THR 23 -5.102 -10.146 5.861 161 HA THR 23 HA THR 23 -3.748 -8.025 7.140 162 HB THR 23 HB THR 23 -5.209 -10.385 8.380 163 HG1 THR 23 HG1 THR 23 -6.585 -9.260 7.089 164 HG21 THR 23 3HG2 THR 23 -4.335 -7.700 9.483 165 HG22 THR 23 1HG2 THR 23 -3.888 -9.301 10.081 166 HG23 THR 23 2HG2 THR 23 -5.544 -8.723 10.264 167 H GLU 24 H GLU 24 -3.309 -11.565 7.461 168 HA GLU 24 HA GLU 24 -1.233 -11.494 9.342 169 HB2 GLU 24 1HB GLU 24 -1.855 -13.460 7.126 170 HB3 GLU 24 2HB GLU 24 -0.539 -13.727 8.267 171 HG2 GLU 24 1HG GLU 24 -3.398 -13.201 9.136 172 HG3 GLU 24 2HG GLU 24 -2.742 -14.820 8.899 173 H SER 25 H SER 25 -1.063 -11.349 5.800 174 HA SER 25 HA SER 25 1.693 -11.469 5.472 175 HB2 SER 25 1HB SER 25 1.378 -10.488 3.339 176 HB3 SER 25 2HB SER 25 -0.129 -11.336 3.667 177 HG SER 25 HG SER 25 -0.443 -9.171 2.924 178 H ILE 26 H ILE 26 -0.241 -8.922 6.790 179 HA ILE 26 HA ILE 26 1.467 -6.735 6.391 180 HB ILE 26 HB ILE 26 -0.957 -6.867 7.468 181 HG12 ILE 26 1HG1 ILE 26 1.066 -4.875 8.553 182 HG13 ILE 26 2HG1 ILE 26 0.382 -4.790 6.932 183 HG21 ILE 26 1HG2 ILE 26 -1.052 -6.807 9.871 184 HG22 ILE 26 2HG2 ILE 26 0.698 -6.686 10.016 185 HG23 ILE 26 3HG2 ILE 26 -0.042 -8.190 9.484 186 HD11 ILE 26 3HD1 ILE 26 -1.045 -4.462 9.560 187 HD12 ILE 26 1HD1 ILE 26 -1.923 -4.811 8.064 188 HD13 ILE 26 2HD1 ILE 26 -0.956 -3.337 8.203 189 H ASP 27 H ASP 27 1.434 -9.194 8.948 190 HA ASP 27 HA ASP 27 3.348 -8.062 10.618 191 HB2 ASP 27 1HB ASP 27 2.645 -10.947 10.027 192 HB3 ASP 27 2HB ASP 27 3.782 -10.478 11.288 193 H LEU 28 H LEU 28 3.694 -10.193 7.807 194 HA LEU 28 HA LEU 28 6.528 -10.393 8.010 195 HB2 LEU 28 1HB LEU 28 4.536 -10.948 5.819 196 HB3 LEU 28 2HB LEU 28 6.264 -11.062 5.498 197 HG LEU 28 HG LEU 28 5.165 -13.245 6.126 198 HD11 LEU 28 1HD1 LEU 28 7.192 -12.549 8.259 199 HD12 LEU 28 2HD1 LEU 28 7.657 -12.629 6.558 200 HD13 LEU 28 3HD1 LEU 28 6.979 -14.041 7.357 201 HD21 LEU 28 3HD2 LEU 28 5.015 -12.066 8.913 202 HD22 LEU 28 1HD2 LEU 28 4.451 -13.651 8.382 203 HD23 LEU 28 2HD2 LEU 28 3.624 -12.190 7.835 204 H PHE 29 H PHE 29 4.393 -8.301 6.086 205 HA PHE 29 HA PHE 29 6.443 -6.990 4.672 206 HB2 PHE 29 1HB PHE 29 3.667 -6.137 5.540 207 HB3 PHE 29 2HB PHE 29 4.698 -5.046 4.612 208 HD1 PHE 29 HD1 PHE 29 5.933 -6.352 2.506 209 HD2 PHE 29 HD2 PHE 29 2.123 -7.350 4.241 210 HE1 PHE 29 HE1 PHE 29 5.258 -7.481 0.410 211 HE2 PHE 29 HE2 PHE 29 1.462 -8.460 2.149 212 HZ PHE 29 HZ PHE 29 3.021 -8.543 0.239 213 H GLU 30 H GLU 30 4.884 -6.113 7.769 214 HA GLU 30 HA GLU 30 6.292 -3.741 8.222 215 HB2 GLU 30 1HB GLU 30 5.225 -5.818 10.161 216 HB3 GLU 30 2HB GLU 30 5.887 -4.268 10.680 217 HG2 GLU 30 1HG GLU 30 3.615 -4.521 8.691 218 HG3 GLU 30 2HG GLU 30 3.368 -4.310 10.423 219 H LYS 31 H LYS 31 7.211 -7.098 8.888 220 HA LYS 31 HA LYS 31 9.534 -6.581 10.385 221 HB2 LYS 31 1HB LYS 31 8.702 -8.872 8.605 222 HB3 LYS 31 2HB LYS 31 10.273 -8.865 9.360 223 HG2 LYS 31 1HG LYS 31 9.254 -8.661 11.571 224 HG3 LYS 31 2HG LYS 31 7.655 -8.620 10.837 225 HD2 LYS 31 1HD LYS 31 7.917 -10.888 9.992 226 HD3 LYS 31 2HD LYS 31 9.598 -10.936 10.526 227 HE2 LYS 31 1HE LYS 31 8.862 -10.727 12.865 228 HE3 LYS 31 2HE LYS 31 7.182 -10.672 12.335 229 HZ1 LYS 31 3HZ LYS 31 7.675 -12.877 11.221 230 HZ2 LYS 31 1HZ LYS 31 7.565 -12.894 12.914 231 HZ3 LYS 31 2HZ LYS 31 9.089 -12.926 12.163 232 H ALA 32 H ALA 32 9.083 -6.853 6.863 233 HA ALA 32 HA ALA 32 11.776 -6.658 6.135 234 HB1 ALA 32 3HB ALA 32 9.300 -5.680 4.716 235 HB2 ALA 32 1HB ALA 32 10.077 -7.251 4.519 236 HB3 ALA 32 2HB ALA 32 10.896 -5.787 3.968 237 H ILE 33 H ILE 33 9.383 -4.112 6.712 238 HA ILE 33 HA ILE 33 11.017 -1.913 6.009 239 HB ILE 33 HB ILE 33 8.875 -1.975 8.160 240 HG12 ILE 33 1HG1 ILE 33 7.964 -2.999 6.170 241 HG13 ILE 33 2HG1 ILE 33 7.314 -1.374 6.286 242 HG21 ILE 33 1HG2 ILE 33 10.221 0.115 7.987 243 HG22 ILE 33 2HG2 ILE 33 8.538 0.370 7.550 244 HG23 ILE 33 3HG2 ILE 33 9.764 0.242 6.290 245 HD11 ILE 33 3HD1 ILE 33 9.386 -2.462 4.398 246 HD12 ILE 33 1HD1 ILE 33 9.339 -0.735 4.741 247 HD13 ILE 33 2HD1 ILE 33 7.940 -1.529 4.032 248 H GLN 34 H GLN 34 10.541 -3.553 9.143 249 HA GLN 34 HA GLN 34 12.082 -1.863 10.732 250 HB2 GLN 34 1HB GLN 34 11.711 -4.870 10.885 251 HB3 GLN 34 2HB GLN 34 12.477 -3.912 12.150 252 HG2 GLN 34 1HG GLN 34 9.674 -3.393 11.118 253 HG3 GLN 34 2HG GLN 34 10.030 -4.367 12.542 254 HE21 GLN 34 2HE2 GLN 34 11.721 -3.084 14.087 255 HE22 GLN 34 1HE2 GLN 34 11.290 -1.468 14.382 256 H LEU 35 H LEU 35 13.107 -4.695 8.828 257 HA LEU 35 HA LEU 35 15.860 -4.460 9.547 258 HB2 LEU 35 1HB LEU 35 14.299 -5.993 7.484 259 HB3 LEU 35 2HB LEU 35 16.043 -5.877 7.297 260 HG LEU 35 HG LEU 35 16.372 -6.809 9.557 261 HD11 LEU 35 1HD1 LEU 35 14.414 -7.743 10.767 262 HD12 LEU 35 2HD1 LEU 35 13.351 -7.010 9.576 263 HD13 LEU 35 3HD1 LEU 35 14.324 -5.989 10.633 264 HD21 LEU 35 3HD2 LEU 35 16.359 -8.442 7.819 265 HD22 LEU 35 1HD2 LEU 35 14.606 -8.363 7.642 266 HD23 LEU 35 2HD2 LEU 35 15.321 -9.105 9.076 267 H ASP 36 H ASP 36 13.963 -3.321 6.788 268 HA ASP 36 HA ASP 36 16.109 -1.377 6.174 269 HB2 ASP 36 1HB ASP 36 14.794 -3.234 4.183 270 HB3 ASP 36 2HB ASP 36 15.828 -1.867 3.763 271 HA PRO 37 HA PRO 37 12.040 0.658 5.896 272 HB2 PRO 37 1HB PRO 37 12.502 2.818 7.439 273 HB3 PRO 37 2HB PRO 37 12.254 1.218 8.163 274 HG2 PRO 37 1HG PRO 37 14.795 2.726 7.756 275 HG3 PRO 37 2HG PRO 37 14.310 1.669 9.099 276 HD2 PRO 37 1HD PRO 37 15.941 0.901 6.891 277 HD3 PRO 37 2HD PRO 37 15.175 -0.210 8.051 278 H GLU 38 H GLU 38 13.595 0.694 3.724 279 HA GLU 38 HA GLU 38 13.323 3.434 2.741 280 HB2 GLU 38 1HB GLU 38 15.717 3.098 3.738 281 HB3 GLU 38 2HB GLU 38 16.007 2.066 2.340 282 HG2 GLU 38 1HG GLU 38 15.440 3.930 0.826 283 HG3 GLU 38 2HG GLU 38 15.074 4.955 2.209 284 H GLU 39 H GLU 39 11.994 0.945 2.202 285 HA GLU 39 HA GLU 39 12.706 0.561 -0.670 286 HB2 GLU 39 1HB GLU 39 11.687 -1.497 1.315 287 HB3 GLU 39 2HB GLU 39 11.880 -1.751 -0.416 288 HG2 GLU 39 1HG GLU 39 14.272 -1.359 -0.274 289 HG3 GLU 39 2HG GLU 39 14.131 -0.949 1.435 290 H SER 40 H SER 40 11.204 1.544 -1.820 291 HA SER 40 HA SER 40 8.581 2.138 -0.899 292 HB2 SER 40 1HB SER 40 9.452 3.616 -2.512 293 HB3 SER 40 2HB SER 40 9.905 2.294 -3.588 294 HG SER 40 HG SER 40 8.017 3.127 -4.370 295 H LYS 41 H LYS 41 9.857 -0.253 -3.158 296 HA LYS 41 HA LYS 41 7.519 -1.402 -4.110 297 HB2 LYS 41 1HB LYS 41 10.096 -2.834 -3.351 298 HB3 LYS 41 2HB LYS 41 8.824 -3.501 -4.375 299 HG2 LYS 41 1HG LYS 41 9.167 -1.716 -6.023 300 HG3 LYS 41 2HG LYS 41 10.386 -0.969 -4.990 301 HD2 LYS 41 1HD LYS 41 11.775 -3.029 -5.166 302 HD3 LYS 41 2HD LYS 41 10.568 -3.733 -6.244 303 HE2 LYS 41 1HE LYS 41 10.913 -1.897 -7.851 304 HE3 LYS 41 2HE LYS 41 12.098 -1.163 -6.769 305 HZ1 LYS 41 3HZ LYS 41 13.201 -2.445 -8.466 306 HZ2 LYS 41 1HZ LYS 41 12.315 -3.833 -8.055 307 HZ3 LYS 41 2HZ LYS 41 13.438 -3.185 -6.955 308 H TYR 42 H TYR 42 9.128 -1.936 -1.000 309 HA TYR 42 HA TYR 42 7.333 -4.037 -0.158 310 HB2 TYR 42 1HB TYR 42 9.492 -2.403 1.189 311 HB3 TYR 42 2HB TYR 42 8.464 -3.491 2.123 312 HD1 TYR 42 HD1 TYR 42 10.515 -3.480 -1.041 313 HD2 TYR 42 HD2 TYR 42 9.158 -5.734 2.349 314 HE1 TYR 42 HE1 TYR 42 11.947 -5.380 -1.728 315 HE2 TYR 42 HE2 TYR 42 10.580 -7.633 1.659 316 HH TYR 42 HH TYR 42 11.564 -8.412 -0.725 317 H TRP 43 H TRP 43 7.573 -0.544 0.273 318 HA TRP 43 HA TRP 43 5.459 -0.422 2.228 319 HB2 TRP 43 1HB TRP 43 7.234 1.482 0.812 320 HB3 TRP 43 2HB TRP 43 5.663 2.146 1.223 321 HD1 TRP 43 HD1 TRP 43 8.996 1.419 2.680 322 HE1 TRP 43 HE1 TRP 43 8.943 1.818 5.233 323 HE3 TRP 43 HE3 TRP 43 3.963 1.811 3.397 324 HZ2 TRP 43 HZ2 TRP 43 7.002 2.254 7.302 325 HZ3 TRP 43 HZ3 TRP 43 3.033 2.219 5.655 326 HH2 TRP 43 HH2 TRP 43 4.544 2.441 7.609 327 H LEU 44 H LEU 44 5.704 -0.139 -1.272 328 HA LEU 44 HA LEU 44 3.214 0.986 -1.786 329 HB2 LEU 44 1HB LEU 44 5.128 0.580 -3.383 330 HB3 LEU 44 2HB LEU 44 4.622 -1.084 -3.471 331 HG LEU 44 HG LEU 44 2.541 1.041 -4.001 332 HD11 LEU 44 1HD1 LEU 44 3.168 1.356 -6.236 333 HD12 LEU 44 2HD1 LEU 44 4.266 -0.028 -6.242 334 HD13 LEU 44 3HD1 LEU 44 4.713 1.444 -5.407 335 HD21 LEU 44 3HD2 LEU 44 1.594 -1.121 -4.022 336 HD22 LEU 44 1HD2 LEU 44 2.989 -1.859 -4.785 337 HD23 LEU 44 2HD2 LEU 44 1.919 -0.841 -5.716 338 H MET 45 H MET 45 4.180 -2.383 -1.241 339 HA MET 45 HA MET 45 1.666 -3.490 -1.903 340 HB2 MET 45 1HB MET 45 4.066 -4.578 -1.509 341 HB3 MET 45 2HB MET 45 3.471 -4.807 0.132 342 HG2 MET 45 1HG MET 45 2.091 -5.769 -2.404 343 HG3 MET 45 2HG MET 45 2.994 -6.776 -1.285 344 HE1 MET 45 3HE MET 45 0.612 -8.461 -0.614 345 HE2 MET 45 1HE MET 45 0.551 -7.628 -2.170 346 HE3 MET 45 2HE MET 45 -0.841 -7.584 -1.089 347 H LYS 46 H LYS 46 3.078 -2.330 1.108 348 HA LYS 46 HA LYS 46 1.139 -3.249 2.898 349 HB2 LYS 46 1HB LYS 46 2.768 -0.697 2.949 350 HB3 LYS 46 2HB LYS 46 1.781 -1.262 4.298 351 HG2 LYS 46 1HG LYS 46 3.073 -3.346 4.394 352 HG3 LYS 46 2HG LYS 46 4.036 -2.830 3.016 353 HD2 LYS 46 1HD LYS 46 5.391 -2.278 4.882 354 HD3 LYS 46 2HD LYS 46 4.650 -0.744 4.421 355 HE2 LYS 46 1HE LYS 46 3.325 -2.486 6.511 356 HE3 LYS 46 2HE LYS 46 4.653 -1.415 6.948 357 HZ1 LYS 46 3HZ LYS 46 3.014 0.069 7.165 358 HZ2 LYS 46 1HZ LYS 46 1.950 -0.762 6.139 359 HZ3 LYS 46 2HZ LYS 46 3.167 0.226 5.481 360 H GLY 47 H GLY 47 1.218 -0.210 1.040 361 HA2 GLY 47 1HA GLY 47 -1.103 0.968 2.032 362 HA3 GLY 47 2HA GLY 47 -0.469 1.219 0.415 363 H LYS 48 H LYS 48 -0.745 -1.241 -0.744 364 HA LYS 48 HA LYS 48 -3.468 -1.307 -1.470 365 HB2 LYS 48 1HB LYS 48 -1.228 -3.307 -1.860 366 HB3 LYS 48 2HB LYS 48 -2.846 -3.547 -2.527 367 HG2 LYS 48 1HG LYS 48 -2.677 -1.463 -3.797 368 HG3 LYS 48 2HG LYS 48 -1.103 -1.119 -3.077 369 HD2 LYS 48 1HD LYS 48 -0.178 -3.168 -4.114 370 HD3 LYS 48 2HD LYS 48 -1.751 -3.518 -4.836 371 HE2 LYS 48 1HE LYS 48 -0.314 -0.906 -5.347 372 HE3 LYS 48 2HE LYS 48 -0.025 -2.335 -6.343 373 HZ1 LYS 48 3HZ LYS 48 -2.791 -1.495 -5.845 374 HZ2 LYS 48 1HZ LYS 48 -2.121 -2.266 -7.201 375 HZ3 LYS 48 2HZ LYS 48 -1.865 -0.606 -6.956 376 H ALA 49 H ALA 49 -1.643 -3.095 0.966 377 HA ALA 49 HA ALA 49 -3.624 -5.063 1.481 378 HB1 ALA 49 3HB ALA 49 -1.227 -5.228 2.170 379 HB2 ALA 49 1HB ALA 49 -2.357 -5.539 3.488 380 HB3 ALA 49 2HB ALA 49 -1.532 -3.984 3.384 381 H LEU 50 H LEU 50 -2.796 -2.016 3.120 382 HA LEU 50 HA LEU 50 -4.872 -2.141 5.033 383 HB2 LEU 50 1HB LEU 50 -3.283 0.145 3.903 384 HB3 LEU 50 2HB LEU 50 -4.446 0.353 5.208 385 HG LEU 50 HG LEU 50 -2.210 -1.704 5.388 386 HD11 LEU 50 1HD1 LEU 50 -2.153 1.252 6.044 387 HD12 LEU 50 2HD1 LEU 50 -1.023 0.312 5.068 388 HD13 LEU 50 3HD1 LEU 50 -1.057 0.099 6.818 389 HD21 LEU 50 3HD2 LEU 50 -3.810 -2.103 7.101 390 HD22 LEU 50 1HD2 LEU 50 -4.106 -0.387 7.360 391 HD23 LEU 50 2HD2 LEU 50 -2.599 -1.114 7.905 392 H TYR 51 H TYR 51 -4.681 -0.703 1.820 393 HA TYR 51 HA TYR 51 -7.145 0.674 1.872 394 HB2 TYR 51 1HB TYR 51 -5.858 1.272 0.016 395 HB3 TYR 51 2HB TYR 51 -5.318 -0.382 -0.259 396 HD1 TYR 51 HD2 TYR 51 -8.360 1.790 -0.423 397 HD2 TYR 51 HD1 TYR 51 -6.392 -1.716 -1.894 398 HE1 TYR 51 HE2 TYR 51 -10.166 1.484 -2.119 399 HE2 TYR 51 HE1 TYR 51 -8.174 -2.025 -3.573 400 HH TYR 51 HH TYR 51 -10.229 -1.364 -4.214 401 H ASN 52 H ASN 52 -6.406 -2.622 0.661 402 HA ASN 52 HA ASN 52 -9.051 -3.257 -0.037 403 HB2 ASN 52 1HB ASN 52 -7.107 -4.528 -0.830 404 HB3 ASN 52 2HB ASN 52 -6.795 -5.085 0.811 405 HD21 ASN 52 2HD2 ASN 52 -7.227 -7.330 0.401 406 HD22 ASN 52 1HD2 ASN 52 -8.772 -7.899 -0.008 407 H LEU 53 H LEU 53 -7.416 -3.160 2.992 408 HA LEU 53 HA LEU 53 -9.283 -4.840 4.412 409 HB2 LEU 53 1HB LEU 53 -7.018 -3.044 5.263 410 HB3 LEU 53 2HB LEU 53 -8.073 -3.781 6.458 411 HG LEU 53 HG LEU 53 -6.650 -5.391 4.307 412 HD11 LEU 53 1HD1 LEU 53 -5.092 -6.041 6.243 413 HD12 LEU 53 2HD1 LEU 53 -5.714 -4.613 7.085 414 HD13 LEU 53 3HD1 LEU 53 -4.856 -4.437 5.553 415 HD21 LEU 53 3HD2 LEU 53 -7.042 -7.162 6.222 416 HD22 LEU 53 1HD2 LEU 53 -8.357 -6.747 5.147 417 HD23 LEU 53 2HD2 LEU 53 -8.288 -6.051 6.769 418 H GLU 54 H GLU 54 -10.008 -2.225 2.933 419 HA GLU 54 HA GLU 54 -11.764 -0.769 3.082 420 HB2 GLU 54 1HB GLU 54 -12.700 -2.714 4.605 421 HB3 GLU 54 2HB GLU 54 -12.302 -1.636 5.944 422 HG2 GLU 54 1HG GLU 54 -14.588 -1.220 5.377 423 HG3 GLU 54 2HG GLU 54 -13.661 0.146 4.798 424 H ARG 55 H ARG 55 -8.974 -0.625 4.616 425 HA ARG 55 HA ARG 55 -9.496 1.715 6.319 426 HB2 ARG 55 1HB ARG 55 -6.767 0.518 5.787 427 HB3 ARG 55 2HB ARG 55 -7.357 1.375 7.206 428 HG2 ARG 55 1HG ARG 55 -8.267 -1.374 6.339 429 HG3 ARG 55 2HG ARG 55 -7.144 -1.032 7.645 430 HD2 ARG 55 1HD ARG 55 -10.061 -0.245 7.489 431 HD3 ARG 55 2HD ARG 55 -9.312 -1.354 8.632 432 HE ARG 55 HE ARG 55 -8.019 1.101 8.929 433 HH11 ARG 55 1HH2 ARG 55 -11.186 -0.257 9.258 434 HH12 ARG 55 2HH2 ARG 55 -11.669 0.828 10.518 435 HH21 ARG 55 1HH1 ARG 55 -8.648 2.526 10.579 436 HH22 ARG 55 2HH1 ARG 55 -10.233 2.402 11.267 437 H TYR 56 H TYR 56 -10.211 2.706 4.128 438 HA TYR 56 HA TYR 56 -8.384 3.436 2.147 439 HB2 TYR 56 1HB TYR 56 -10.661 5.178 3.131 440 HB3 TYR 56 2HB TYR 56 -9.977 5.098 1.505 441 HD1 TYR 56 HD1 TYR 56 -10.247 3.000 0.146 442 HD2 TYR 56 HD2 TYR 56 -12.340 3.619 3.836 443 HE1 TYR 56 HE1 TYR 56 -11.825 1.182 -0.449 444 HE2 TYR 56 HE2 TYR 56 -13.932 1.824 3.228 445 HH TYR 56 HH TYR 56 -13.455 -0.463 1.251 446 H GLU 57 H GLU 57 -9.186 4.980 5.239 447 HA GLU 57 HA GLU 57 -7.570 7.287 4.839 448 HB2 GLU 57 1HB GLU 57 -7.831 7.611 7.272 449 HB3 GLU 57 2HB GLU 57 -9.368 7.230 6.493 450 HG2 GLU 57 1HG GLU 57 -8.841 4.755 7.123 451 HG3 GLU 57 2HG GLU 57 -7.637 5.439 8.215 452 H GLU 58 H GLU 58 -7.012 4.297 6.682 453 HA GLU 58 HA GLU 58 -4.411 4.931 7.521 454 HB2 GLU 58 1HB GLU 58 -5.986 2.958 8.235 455 HB3 GLU 58 2HB GLU 58 -5.213 2.083 6.906 456 HG2 GLU 58 1HG GLU 58 -3.017 2.453 7.896 457 HG3 GLU 58 2HG GLU 58 -3.722 3.423 9.183 458 H ALA 59 H ALA 59 -5.553 3.215 4.636 459 HA ALA 59 HA ALA 59 -3.044 2.509 3.596 460 HB1 ALA 59 3HB ALA 59 -5.251 1.664 2.813 461 HB2 ALA 59 1HB ALA 59 -4.186 2.164 1.504 462 HB3 ALA 59 2HB ALA 59 -5.519 3.206 2.005 463 H VAL 60 H VAL 60 -5.018 5.424 3.135 464 HA VAL 60 HA VAL 60 -3.387 6.709 1.245 465 HB VAL 60 HB VAL 60 -5.304 7.735 3.336 466 HG11 VAL 60 1HG1 VAL 60 -3.622 9.336 1.381 467 HG12 VAL 60 2HG1 VAL 60 -3.763 9.567 3.127 468 HG13 VAL 60 3HG1 VAL 60 -5.120 9.963 2.077 469 HG21 VAL 60 3HG2 VAL 60 -6.027 6.507 1.174 470 HG22 VAL 60 1HG2 VAL 60 -5.451 7.931 0.307 471 HG23 VAL 60 2HG2 VAL 60 -6.768 8.076 1.480 472 H ASP 61 H ASP 61 -3.233 6.705 4.801 473 HA ASP 61 HA ASP 61 -1.197 8.621 5.056 474 HB2 ASP 61 1HB ASP 61 -2.017 6.288 6.801 475 HB3 ASP 61 2HB ASP 61 -0.755 7.428 7.269 476 H CYS 62 H CYS 62 -1.091 5.161 4.390 477 HA CYS 62 HA CYS 62 1.731 4.893 4.744 478 HB2 CYS 62 1HB CYS 62 -0.279 3.222 3.226 479 HB3 CYS 62 2HB CYS 62 1.416 2.775 3.424 480 HG CYS 62 HG CYS 62 -0.635 2.983 5.770 481 H TYR 63 H TYR 63 -0.317 5.163 1.812 482 HA TYR 63 HA TYR 63 1.736 5.182 -0.059 483 HB2 TYR 63 1HB TYR 63 -0.930 6.611 -0.046 484 HB3 TYR 63 2HB TYR 63 0.124 6.578 -1.460 485 HD1 TYR 63 HD1 TYR 63 1.111 4.020 -1.905 486 HD2 TYR 63 HD2 TYR 63 -2.655 4.996 -0.094 487 HE1 TYR 63 HE1 TYR 63 0.228 1.812 -2.545 488 HE2 TYR 63 HE2 TYR 63 -3.536 2.785 -0.731 489 HH TYR 63 HH TYR 63 -3.161 0.952 -1.982 490 H ASN 64 H ASN 64 0.427 7.880 1.843 491 HA ASN 64 HA ASN 64 1.900 9.921 0.583 492 HB2 ASN 64 1HB ASN 64 0.007 10.396 2.047 493 HB3 ASN 64 2HB ASN 64 0.888 9.746 3.428 494 HD21 ASN 64 2HD2 ASN 64 1.587 11.476 4.688 495 HD22 ASN 64 1HD2 ASN 64 2.260 12.909 4.080 496 H TYR 65 H TYR 65 2.705 7.636 3.114 497 HA TYR 65 HA TYR 65 5.012 8.836 4.143 498 HB2 TYR 65 1HB TYR 65 3.928 6.796 5.076 499 HB3 TYR 65 2HB TYR 65 4.556 5.881 3.713 500 HD1 TYR 65 HD2 TYR 65 6.959 5.495 3.408 501 HD2 TYR 65 HD1 TYR 65 5.413 7.552 6.850 502 HE1 TYR 65 HE2 TYR 65 9.129 5.186 4.563 503 HE2 TYR 65 HE1 TYR 65 7.585 7.242 8.006 504 HH TYR 65 HH TYR 65 10.239 5.424 6.479 505 H VAL 66 H VAL 66 4.597 6.713 1.330 506 HA VAL 66 HA VAL 66 7.374 6.636 0.654 507 HB VAL 66 HB VAL 66 4.897 6.067 -0.989 508 HG11 VAL 66 1HG1 VAL 66 7.842 5.721 -1.628 509 HG12 VAL 66 2HG1 VAL 66 6.626 6.583 -2.576 510 HG13 VAL 66 3HG1 VAL 66 6.574 4.826 -2.471 511 HG21 VAL 66 3HG2 VAL 66 5.455 3.744 -0.552 512 HG22 VAL 66 1HG2 VAL 66 5.377 4.598 0.988 513 HG23 VAL 66 2HG2 VAL 66 6.943 4.215 0.270 514 H ILE 67 H ILE 67 4.645 8.599 -0.496 515 HA ILE 67 HA ILE 67 6.193 10.048 -2.419 516 HB ILE 67 HB ILE 67 3.527 10.785 -1.167 517 HG12 ILE 67 1HG1 ILE 67 4.057 9.347 -3.795 518 HG13 ILE 67 2HG1 ILE 67 3.654 8.502 -2.300 519 HG21 ILE 67 1HG2 ILE 67 4.854 11.645 -3.779 520 HG22 ILE 67 2HG2 ILE 67 4.624 12.662 -2.350 521 HG23 ILE 67 3HG2 ILE 67 3.224 12.085 -3.255 522 HD11 ILE 67 3HD1 ILE 67 1.635 8.891 -3.662 523 HD12 ILE 67 1HD1 ILE 67 1.946 10.626 -3.627 524 HD13 ILE 67 2HD1 ILE 67 1.549 9.769 -2.136 525 H ASN 68 H ASN 68 5.600 10.352 0.982 526 HA ASN 68 HA ASN 68 6.540 13.115 1.114 527 HB2 ASN 68 1HB ASN 68 4.732 12.359 2.596 528 HB3 ASN 68 2HB ASN 68 5.810 11.160 3.310 529 HD21 ASN 68 2HD2 ASN 68 5.121 14.627 3.097 530 HD22 ASN 68 1HD2 ASN 68 6.148 15.086 4.368 531 H VAL 69 H VAL 69 7.493 10.220 2.940 532 HA VAL 69 HA VAL 69 10.001 11.107 3.728 533 HB VAL 69 HB VAL 69 9.179 8.274 3.038 534 HG11 VAL 69 1HG1 VAL 69 11.567 9.402 4.522 535 HG12 VAL 69 2HG1 VAL 69 11.548 8.269 3.166 536 HG13 VAL 69 3HG1 VAL 69 11.007 7.744 4.762 537 HG21 VAL 69 3HG2 VAL 69 9.246 8.646 5.856 538 HG22 VAL 69 1HG2 VAL 69 7.802 8.517 4.855 539 HG23 VAL 69 2HG2 VAL 69 8.462 10.101 5.249 540 H ILE 70 H ILE 70 9.146 9.328 0.776 541 HA ILE 70 HA ILE 70 11.860 9.865 -0.310 542 HB ILE 70 HB ILE 70 9.810 7.923 -1.404 543 HG12 ILE 70 1HG1 ILE 70 12.101 7.379 0.504 544 HG13 ILE 70 2HG1 ILE 70 10.391 7.309 0.929 545 HG21 ILE 70 1HG2 ILE 70 12.814 7.934 -1.708 546 HG22 ILE 70 2HG2 ILE 70 11.753 8.791 -2.819 547 HG23 ILE 70 3HG2 ILE 70 11.624 7.041 -2.658 548 HD11 ILE 70 3HD1 ILE 70 11.059 5.050 0.471 549 HD12 ILE 70 1HD1 ILE 70 11.879 5.533 -1.018 550 HD13 ILE 70 2HD1 ILE 70 10.118 5.586 -0.928 551 H GLU 71 H GLU 71 12.004 11.486 -1.688 552 HA GLU 71 HA GLU 71 9.701 12.807 -2.797 553 HB2 GLU 71 1HB GLU 71 12.670 13.165 -3.304 554 HB3 GLU 71 2HB GLU 71 11.412 14.229 -3.937 555 HG2 GLU 71 1HG GLU 71 11.847 13.672 -0.985 556 HG3 GLU 71 2HG GLU 71 12.476 15.088 -1.831 557 H ASP 72 H ASP 72 10.502 9.934 -3.571 558 HA ASP 72 HA ASP 72 11.161 10.003 -6.356 559 HB2 ASP 72 1HB ASP 72 11.638 8.031 -4.982 560 HB3 ASP 72 2HB ASP 72 9.918 7.804 -4.676 561 H GLU 73 H GLU 73 9.055 11.789 -5.868 562 HA GLU 73 HA GLU 73 6.472 10.790 -6.383 563 HB2 GLU 73 1HB GLU 73 7.012 13.106 -5.579 564 HB3 GLU 73 2HB GLU 73 7.586 13.483 -7.196 565 HG2 GLU 73 1HG GLU 73 5.380 13.019 -8.137 566 HG3 GLU 73 2HG GLU 73 4.791 12.523 -6.552 567 H TYR 74 H TYR 74 7.188 9.125 -7.993 568 HA TYR 74 HA TYR 74 6.433 9.955 -10.621 569 HB2 TYR 74 1HB TYR 74 8.791 10.701 -10.624 570 HB3 TYR 74 2HB TYR 74 9.293 9.065 -10.207 571 HD1 TYR 74 HD2 TYR 74 7.138 10.861 -12.717 572 HD2 TYR 74 HD1 TYR 74 9.853 7.608 -11.980 573 HE1 TYR 74 HE2 TYR 74 7.052 10.233 -15.112 574 HE2 TYR 74 HE1 TYR 74 9.759 6.986 -14.364 575 HH TYR 74 HH TYR 74 8.611 8.991 -16.745 576 H ASN 75 H ASN 75 5.655 8.022 -8.617 577 HA ASN 75 HA ASN 75 6.255 5.446 -9.988 578 HB2 ASN 75 1HB ASN 75 5.340 6.053 -7.171 579 HB3 ASN 75 2HB ASN 75 5.371 4.435 -7.870 580 HD21 ASN 75 2HD2 ASN 75 7.010 3.846 -6.218 581 HD22 ASN 75 1HD2 ASN 75 8.626 4.329 -6.418 582 H LYS 76 H LYS 76 4.783 5.063 -11.496 583 HA LYS 76 HA LYS 76 2.139 6.059 -11.530 584 HB2 LYS 76 1HB LYS 76 1.805 4.560 -13.422 585 HB3 LYS 76 2HB LYS 76 3.364 5.376 -13.550 586 HG2 LYS 76 1HG LYS 76 4.443 3.356 -12.516 587 HG3 LYS 76 2HG LYS 76 2.880 2.540 -12.577 588 HD2 LYS 76 1HD LYS 76 2.808 2.839 -15.012 589 HD3 LYS 76 2HD LYS 76 4.370 3.653 -14.960 590 HE2 LYS 76 1HE LYS 76 5.404 1.605 -14.016 591 HE3 LYS 76 2HE LYS 76 3.842 0.788 -14.094 592 HZ1 LYS 76 3HZ LYS 76 5.729 1.356 -16.197 593 HZ2 LYS 76 1HZ LYS 76 4.126 1.743 -16.594 594 HZ3 LYS 76 2HZ LYS 76 4.522 0.163 -16.112 595 H ASP 77 H ASP 77 3.541 3.039 -10.395 596 HA ASP 77 HA ASP 77 1.141 1.610 -10.005 597 HB2 ASP 77 1HB ASP 77 3.356 0.549 -9.982 598 HB3 ASP 77 2HB ASP 77 3.763 1.415 -8.507 599 H VAL 78 H VAL 78 2.992 3.741 -7.858 600 HA VAL 78 HA VAL 78 1.355 3.368 -5.570 601 HB VAL 78 HB VAL 78 3.189 5.647 -6.361 602 HG11 VAL 78 1HG1 VAL 78 1.648 5.156 -3.819 603 HG12 VAL 78 2HG1 VAL 78 1.660 6.610 -4.799 604 HG13 VAL 78 3HG1 VAL 78 3.083 6.171 -3.859 605 HG21 VAL 78 3HG2 VAL 78 3.476 3.262 -4.502 606 HG22 VAL 78 1HG2 VAL 78 4.619 4.607 -4.556 607 HG23 VAL 78 2HG2 VAL 78 4.388 3.598 -5.971 608 H TRP 79 H TRP 79 1.329 5.862 -8.114 609 HA TRP 79 HA TRP 79 -0.798 7.395 -7.075 610 HB2 TRP 79 1HB TRP 79 -0.035 6.993 -9.985 611 HB3 TRP 79 2HB TRP 79 -0.988 8.325 -9.331 612 HD1 TRP 79 HD1 TRP 79 1.445 7.949 -6.743 613 HE1 TRP 79 HE1 TRP 79 3.492 9.439 -7.080 614 HE3 TRP 79 HE3 TRP 79 0.838 9.158 -11.664 615 HZ2 TRP 79 HZ2 TRP 79 4.724 10.959 -9.167 616 HZ3 TRP 79 HZ3 TRP 79 2.469 10.631 -12.800 617 HH2 TRP 79 HH2 TRP 79 4.416 11.532 -11.558 618 H ALA 80 H ALA 80 -0.805 4.665 -9.372 619 HA ALA 80 HA ALA 80 -3.564 4.664 -9.889 620 HB1 ALA 80 3HB ALA 80 -1.826 3.386 -11.163 621 HB2 ALA 80 1HB ALA 80 -3.225 2.412 -10.709 622 HB3 ALA 80 2HB ALA 80 -1.716 2.266 -9.807 623 H ALA 81 H ALA 81 -1.650 2.998 -7.400 624 HA ALA 81 HA ALA 81 -3.772 1.513 -6.273 625 HB1 ALA 81 3HB ALA 81 -1.289 1.197 -5.852 626 HB2 ALA 81 1HB ALA 81 -2.314 1.123 -4.420 627 HB3 ALA 81 2HB ALA 81 -1.376 2.581 -4.762 628 H LYS 82 H LYS 82 -2.435 4.693 -5.427 629 HA LYS 82 HA LYS 82 -4.102 5.187 -3.215 630 HB2 LYS 82 1HB LYS 82 -1.997 6.450 -4.039 631 HB3 LYS 82 2HB LYS 82 -3.100 7.369 -5.062 632 HG2 LYS 82 1HG LYS 82 -4.410 8.027 -3.060 633 HG3 LYS 82 2HG LYS 82 -3.318 7.089 -2.039 634 HD2 LYS 82 1HD LYS 82 -2.222 9.126 -1.819 635 HD3 LYS 82 2HD LYS 82 -1.467 8.638 -3.323 636 HE2 LYS 82 1HE LYS 82 -3.546 9.795 -4.457 637 HE3 LYS 82 2HE LYS 82 -3.707 10.601 -2.898 638 HZ1 LYS 82 3HZ LYS 82 -2.201 11.563 -4.799 639 HZ2 LYS 82 1HZ LYS 82 -1.056 10.515 -4.113 640 HZ3 LYS 82 2HZ LYS 82 -1.779 11.725 -3.162 641 H ALA 83 H ALA 83 -4.517 5.902 -6.671 642 HA ALA 83 HA ALA 83 -6.815 7.451 -6.594 643 HB1 ALA 83 3HB ALA 83 -6.213 5.271 -8.610 644 HB2 ALA 83 1HB ALA 83 -5.521 6.892 -8.655 645 HB3 ALA 83 2HB ALA 83 -7.259 6.669 -8.853 646 H ASP 84 H ASP 84 -6.580 3.897 -6.676 647 HA ASP 84 HA ASP 84 -9.306 3.301 -6.669 648 HB2 ASP 84 1HB ASP 84 -6.975 1.825 -5.429 649 HB3 ASP 84 2HB ASP 84 -8.603 1.157 -5.538 650 H ALA 85 H ALA 85 -7.127 4.005 -3.949 651 HA ALA 85 HA ALA 85 -9.015 3.505 -1.899 652 HB1 ALA 85 3HB ALA 85 -6.626 5.356 -1.877 653 HB2 ALA 85 1HB ALA 85 -6.582 3.635 -1.499 654 HB3 ALA 85 2HB ALA 85 -7.473 4.745 -0.456 655 H LEU 86 H LEU 86 -8.138 6.426 -3.688 656 HA LEU 86 HA LEU 86 -9.767 8.215 -2.209 657 HB2 LEU 86 1HB LEU 86 -8.729 8.336 -5.052 658 HB3 LEU 86 2HB LEU 86 -9.495 9.687 -4.219 659 HG LEU 86 HG LEU 86 -7.019 8.243 -3.216 660 HD11 LEU 86 1HD1 LEU 86 -6.513 9.393 -5.296 661 HD12 LEU 86 2HD1 LEU 86 -5.820 10.298 -3.955 662 HD13 LEU 86 3HD1 LEU 86 -7.308 10.858 -4.719 663 HD21 LEU 86 3HD2 LEU 86 -8.603 10.625 -2.232 664 HD22 LEU 86 1HD2 LEU 86 -6.869 10.531 -1.911 665 HD23 LEU 86 2HD2 LEU 86 -7.942 9.271 -1.312 666 H ARG 87 H ARG 87 -10.342 6.290 -5.125 667 HA ARG 87 HA ARG 87 -12.832 7.333 -5.836 668 HB2 ARG 87 1HB ARG 87 -11.621 4.580 -6.132 669 HB3 ARG 87 2HB ARG 87 -13.216 4.970 -6.788 670 HG2 ARG 87 1HG ARG 87 -12.265 6.751 -8.153 671 HG3 ARG 87 2HG ARG 87 -10.668 6.503 -7.437 672 HD2 ARG 87 1HD ARG 87 -10.766 5.406 -9.609 673 HD3 ARG 87 2HD ARG 87 -10.689 4.186 -8.349 674 HE ARG 87 HE ARG 87 -13.396 4.760 -8.995 675 HH11 ARG 87 1HH2 ARG 87 -10.533 3.196 -10.141 676 HH12 ARG 87 2HH2 ARG 87 -11.386 2.020 -11.085 677 HH21 ARG 87 1HH1 ARG 87 -14.525 3.223 -10.232 678 HH22 ARG 87 2HH1 ARG 87 -13.647 2.035 -11.135 679 H TYR 88 H TYR 88 -12.025 5.922 -2.974 680 HA TYR 88 HA TYR 88 -14.857 5.493 -2.258 681 HB2 TYR 88 1HB TYR 88 -12.643 3.467 -1.831 682 HB3 TYR 88 2HB TYR 88 -14.216 3.390 -1.039 683 HD1 TYR 88 HD1 TYR 88 -16.329 3.394 -2.532 684 HD2 TYR 88 HD2 TYR 88 -12.380 2.609 -4.038 685 HE1 TYR 88 HE1 TYR 88 -17.305 2.324 -4.547 686 HE2 TYR 88 HE2 TYR 88 -13.356 1.544 -6.044 687 HH TYR 88 HH TYR 88 -15.226 0.807 -7.007 688 H ILE 89 H ILE 89 -13.712 7.715 -1.533 689 HA ILE 89 HA ILE 89 -13.042 7.365 1.337 690 HB ILE 89 HB ILE 89 -11.056 8.055 -0.152 691 HG12 ILE 89 1HG1 ILE 89 -11.837 10.074 1.977 692 HG13 ILE 89 2HG1 ILE 89 -11.278 8.448 2.364 693 HG21 ILE 89 1HG2 ILE 89 -12.540 9.657 -1.519 694 HG22 ILE 89 2HG2 ILE 89 -10.958 10.265 -1.029 695 HG23 ILE 89 3HG2 ILE 89 -12.409 10.767 -0.154 696 HD11 ILE 89 3HD1 ILE 89 -9.734 10.537 0.814 697 HD12 ILE 89 1HD1 ILE 89 -9.192 8.883 1.102 698 HD13 ILE 89 2HD1 ILE 89 -9.401 9.990 2.457 699 H GLU 90 H GLU 90 -14.067 8.708 2.740 700 HA GLU 90 HA GLU 90 -16.481 9.923 1.998 701 HB2 GLU 90 1HB GLU 90 -16.493 10.845 4.270 702 HB3 GLU 90 2HB GLU 90 -15.976 9.159 4.283 703 HG2 GLU 90 1HG GLU 90 -13.598 9.937 4.301 704 HG3 GLU 90 2HG GLU 90 -14.177 11.597 4.436 705 H GLY 91 H GLY 91 -17.075 12.027 1.584 706 HA2 GLY 91 1HA GLY 91 -16.865 14.270 1.052 707 HA3 GLY 91 2HA GLY 91 -15.279 14.258 1.814 708 H LYS 92 H LYS 92 -16.833 12.806 -1.061 709 HA LYS 92 HA LYS 92 -14.359 12.880 -2.558 710 HB2 LYS 92 1HB LYS 92 -17.197 12.227 -3.360 711 HB3 LYS 92 2HB LYS 92 -15.812 12.102 -4.446 712 HG2 LYS 92 1HG LYS 92 -14.733 10.532 -2.798 713 HG3 LYS 92 2HG LYS 92 -16.220 10.572 -1.850 714 HD2 LYS 92 1HD LYS 92 -16.175 9.781 -4.784 715 HD3 LYS 92 2HD LYS 92 -15.966 8.604 -3.487 716 HE2 LYS 92 1HE LYS 92 -18.163 9.455 -2.514 717 HE3 LYS 92 2HE LYS 92 -18.383 10.346 -4.021 718 HZ1 LYS 92 3HZ LYS 92 -19.121 8.512 -4.950 719 HZ2 LYS 92 1HZ LYS 92 -18.888 7.653 -3.505 720 HZ3 LYS 92 2HZ LYS 92 -17.636 7.741 -4.651 721 H GLU 93 H GLU 93 -13.654 14.890 -2.958 722 HA GLU 93 HA GLU 93 -15.500 16.840 -4.257 723 HB2 GLU 93 1HB GLU 93 -12.944 17.320 -2.696 724 HB3 GLU 93 2HB GLU 93 -13.902 18.567 -3.495 725 HG2 GLU 93 1HG GLU 93 -14.960 16.712 -1.342 726 HG3 GLU 93 2HG GLU 93 -14.404 18.359 -1.052 727 H VAL 94 H VAL 94 -15.027 15.457 -6.194 728 HA VAL 94 HA VAL 94 -13.991 15.147 -8.202 729 HB VAL 94 HB VAL 94 -12.512 17.759 -7.774 730 HG11 VAL 94 1HG1 VAL 94 -13.083 18.050 -10.165 731 HG12 VAL 94 2HG1 VAL 94 -13.963 16.523 -10.146 732 HG13 VAL 94 3HG1 VAL 94 -12.219 16.540 -9.912 733 HG21 VAL 94 3HG2 VAL 94 -14.673 18.870 -8.568 734 HG22 VAL 94 1HG2 VAL 94 -14.680 18.294 -6.905 735 HG23 VAL 94 2HG2 VAL 94 -15.494 17.364 -8.159 736 H GLU 95 H GLU 95 -12.438 14.836 -5.420 737 HA GLU 95 HA GLU 95 -9.688 14.947 -6.109 738 HB2 GLU 95 1HB GLU 95 -11.180 13.393 -3.975 739 HB3 GLU 95 2HB GLU 95 -9.420 13.429 -4.104 740 HG2 GLU 95 1HG GLU 95 -9.416 15.863 -3.822 741 HG3 GLU 95 2HG GLU 95 -11.179 15.884 -3.789 742 H ALA 96 H ALA 96 -12.025 12.246 -6.028 743 HA ALA 96 HA ALA 96 -10.295 10.201 -6.806 744 HB1 ALA 96 3HB ALA 96 -12.319 9.036 -7.583 745 HB2 ALA 96 1HB ALA 96 -13.228 10.542 -7.483 746 HB3 ALA 96 2HB ALA 96 -12.586 9.799 -6.018 747 H GLU 97 H GLU 97 -12.162 12.483 -8.794 748 HA GLU 97 HA GLU 97 -11.493 11.325 -11.296 749 HB2 GLU 97 1HB GLU 97 -12.257 14.173 -10.581 750 HB3 GLU 97 2HB GLU 97 -12.136 13.555 -12.231 751 HG2 GLU 97 1HG GLU 97 -13.954 12.377 -10.109 752 HG3 GLU 97 2HG GLU 97 -14.476 13.544 -11.324 753 H ILE 98 H ILE 98 -10.045 14.029 -9.477 754 HA ILE 98 HA ILE 98 -8.050 14.691 -11.354 755 HB ILE 98 HB ILE 98 -8.127 14.951 -8.333 756 HG12 ILE 98 1HG1 ILE 98 -8.389 17.095 -10.470 757 HG13 ILE 98 2HG1 ILE 98 -9.780 16.241 -9.813 758 HG21 ILE 98 1HG2 ILE 98 -6.289 16.675 -8.691 759 HG22 ILE 98 2HG2 ILE 98 -6.097 16.026 -10.322 760 HG23 ILE 98 3HG2 ILE 98 -5.785 15.002 -8.914 761 HD11 ILE 98 3HD1 ILE 98 -9.479 18.318 -8.574 762 HD12 ILE 98 1HD1 ILE 98 -7.790 17.919 -8.253 763 HD13 ILE 98 2HD1 ILE 98 -9.078 16.966 -7.513 764 H ALA 99 H ALA 99 -8.012 12.379 -8.630 765 HA ALA 99 HA ALA 99 -5.300 11.635 -8.934 766 HB1 ALA 99 3HB ALA 99 -7.669 10.216 -7.706 767 HB2 ALA 99 1HB ALA 99 -6.416 11.143 -6.884 768 HB3 ALA 99 2HB ALA 99 -6.019 9.595 -7.626 769 H GLU 100 H GLU 100 -8.311 10.163 -10.118 770 HA GLU 100 HA GLU 100 -7.138 7.971 -11.405 771 HB2 GLU 100 1HB GLU 100 -9.638 8.458 -10.991 772 HB3 GLU 100 2HB GLU 100 -9.582 9.426 -12.460 773 HG2 GLU 100 1HG GLU 100 -8.707 6.517 -12.337 774 HG3 GLU 100 2HG GLU 100 -10.322 7.031 -12.806 775 H ALA 101 H ALA 101 -7.925 11.206 -12.681 776 HA ALA 101 HA ALA 101 -6.923 10.681 -15.296 777 HB1 ALA 101 3HB ALA 101 -7.394 13.297 -13.846 778 HB2 ALA 101 1HB ALA 101 -8.527 12.474 -14.919 779 HB3 ALA 101 2HB ALA 101 -7.031 13.148 -15.565 780 H ARG 102 H ARG 102 -5.543 12.205 -12.411 781 HA ARG 102 HA ARG 102 -3.095 13.004 -13.583 782 HB2 ARG 102 1HB ARG 102 -3.918 13.886 -11.415 783 HB3 ARG 102 2HB ARG 102 -3.647 12.302 -10.684 784 HG2 ARG 102 1HG ARG 102 -1.237 12.465 -11.183 785 HG3 ARG 102 2HG ARG 102 -1.498 14.023 -11.975 786 HD2 ARG 102 1HD ARG 102 -2.319 14.967 -9.848 787 HD3 ARG 102 2HD ARG 102 -2.083 13.407 -9.058 788 HE ARG 102 HE ARG 102 0.206 13.832 -8.972 789 HH11 ARG 102 1HH2 ARG 102 -1.409 16.021 -11.111 790 HH12 ARG 102 2HH2 ARG 102 -0.030 17.048 -11.330 791 HH21 ARG 102 1HH1 ARG 102 2.019 15.174 -9.251 792 HH22 ARG 102 2HH1 ARG 102 1.912 16.566 -10.275 793 H ALA 103 H ALA 103 -4.076 10.027 -11.914 794 HA ALA 103 HA ALA 103 -1.492 8.838 -11.929 795 HB1 ALA 103 3HB ALA 103 -4.168 7.437 -11.831 796 HB2 ALA 103 1HB ALA 103 -3.382 8.166 -10.431 797 HB3 ALA 103 2HB ALA 103 -2.618 6.812 -11.265 798 H LYS 104 H LYS 104 -4.290 8.597 -14.075 799 HA LYS 104 HA LYS 104 -3.207 6.624 -15.807 800 HB2 LYS 104 1HB LYS 104 -5.629 7.192 -15.611 801 HB3 LYS 104 2HB LYS 104 -5.287 8.724 -16.424 802 HG2 LYS 104 1HG LYS 104 -4.591 7.582 -18.437 803 HG3 LYS 104 2HG LYS 104 -4.626 6.020 -17.629 804 HD2 LYS 104 1HD LYS 104 -6.635 6.342 -19.039 805 HD3 LYS 104 2HD LYS 104 -7.061 6.187 -17.334 806 HE2 LYS 104 1HE LYS 104 -8.176 8.104 -18.701 807 HE3 LYS 104 2HE LYS 104 -7.516 8.503 -17.117 808 HZ1 LYS 104 3HZ LYS 104 -6.911 9.966 -19.126 809 HZ2 LYS 104 1HZ LYS 104 -5.833 8.717 -19.524 810 HZ3 LYS 104 2HZ LYS 104 -5.684 9.527 -18.038 811 H LEU 105 H LEU 105 -3.277 10.159 -15.931 812 HA LEU 105 HA LEU 105 -1.992 10.358 -18.450 813 HB2 LEU 105 1HB LEU 105 -3.317 12.202 -17.447 814 HB3 LEU 105 2HB LEU 105 -2.089 12.393 -16.198 815 HG LEU 105 HG LEU 105 -0.396 12.874 -17.997 816 HD11 LEU 105 1HD1 LEU 105 -2.822 12.432 -19.739 817 HD12 LEU 105 2HD1 LEU 105 -1.156 11.897 -19.970 818 HD13 LEU 105 3HD1 LEU 105 -1.582 13.576 -20.251 819 HD21 LEU 105 3HD2 LEU 105 -1.202 15.140 -18.507 820 HD22 LEU 105 1HD2 LEU 105 -1.539 14.723 -16.824 821 HD23 LEU 105 2HD2 LEU 105 -2.836 14.679 -18.023 822 H GLU 106 H GLU 106 -0.122 9.245 -18.641 823 HA GLU 106 HA GLU 106 1.891 9.149 -16.612 824 HB2 GLU 106 1HB GLU 106 1.506 7.394 -18.403 825 HB3 GLU 106 2HB GLU 106 2.232 8.516 -19.555 826 HG2 GLU 106 1HG GLU 106 4.006 7.083 -18.816 827 HG3 GLU 106 2HG GLU 106 4.256 8.617 -17.997 828 H HIS 107 H HIS 107 1.446 11.026 -19.571 829 HA HIS 107 HA HIS 107 3.128 13.141 -18.612 830 HB2 HIS 107 1HB HIS 107 4.861 11.542 -19.381 831 HB3 HIS 107 2HB HIS 107 4.124 11.533 -20.984 832 HD1 HIS 107 HD1 HIS 107 4.491 13.588 -22.483 833 HD2 HIS 107 HD2 HIS 107 6.214 13.997 -18.708 834 HE1 HIS 107 HE1 HIS 107 5.983 15.631 -22.593 835 HE2 HIS 107 HE2 HIS 107 7.041 15.894 -20.301 836 H HIS 108 H HIS 108 3.284 14.909 -20.249 837 HA HIS 108 HA HIS 108 1.360 14.805 -22.458 838 HB2 HIS 108 1HB HIS 108 0.175 16.835 -21.624 839 HB3 HIS 108 2HB HIS 108 -0.084 15.423 -20.599 840 HD1 HIS 108 HD1 HIS 108 1.216 15.359 -18.306 841 HD2 HIS 108 HD2 HIS 108 1.569 18.951 -20.391 842 HE1 HIS 108 HE1 HIS 108 2.161 17.046 -16.670 843 HE2 HIS 108 HE2 HIS 108 2.382 19.242 -17.926 844 H HIS 109 H HIS 109 2.325 15.752 -24.113 845 HA HIS 109 HA HIS 109 4.720 17.272 -23.859 846 HB2 HIS 109 1HB HIS 109 2.854 16.855 -26.209 847 HB3 HIS 109 2HB HIS 109 4.408 17.681 -26.316 848 HD1 HIS 109 HD1 HIS 109 2.890 14.288 -25.757 849 HD2 HIS 109 HD2 HIS 109 6.681 15.986 -26.119 850 HE1 HIS 109 HE1 HIS 109 4.519 12.362 -25.988 851 HE2 HIS 109 HE2 HIS 109 6.835 13.380 -26.211 852 H HIS 110 H HIS 110 1.340 18.140 -24.460 853 HA HIS 110 HA HIS 110 1.824 20.825 -23.461 854 HB2 HIS 110 1HB HIS 110 2.469 20.975 -25.871 855 HB3 HIS 110 2HB HIS 110 0.842 20.453 -26.304 856 HD1 HIS 110 HD1 HIS 110 2.607 23.269 -24.453 857 HD2 HIS 110 HD2 HIS 110 -1.055 22.490 -26.287 858 HE1 HIS 110 HE1 HIS 110 1.333 25.457 -24.463 859 HE2 HIS 110 HE2 HIS 110 -0.903 24.999 -25.579 860 H HIS 111 H HIS 111 0.293 18.852 -22.369 861 HA HIS 111 HA HIS 111 -1.829 18.315 -21.645 862 HB2 HIS 111 1HB HIS 111 -2.169 21.255 -22.289 863 HB3 HIS 111 2HB HIS 111 -3.353 20.298 -21.398 864 HD1 HIS 111 HD1 HIS 111 0.119 21.726 -21.114 865 HD2 HIS 111 HD2 HIS 111 -2.606 19.647 -18.741 866 HE1 HIS 111 HE1 HIS 111 1.029 21.793 -18.751 867 HE2 HIS 111 HE2 HIS 111 -0.622 20.530 -17.292 868 H HIS 112 H HIS 112 -4.315 18.734 -22.276 869 HA HIS 112 HA HIS 112 -4.894 19.024 -25.053 870 HB2 HIS 112 1HB HIS 112 -3.743 16.830 -25.129 871 HB3 HIS 112 2HB HIS 112 -4.913 16.195 -23.973 872 HD1 HIS 112 HD1 HIS 112 -7.265 15.646 -24.832 873 HD2 HIS 112 HD2 HIS 112 -4.840 17.397 -27.737 874 HE1 HIS 112 HE1 HIS 112 -8.498 15.411 -27.033 875 HE2 HIS 112 HE2 HIS 112 -7.032 16.474 -28.813 Start of MODEL 9 1 H1 MET 1 1H MET 1 28.276 -8.629 6.683 2 H2 MET 1 2H MET 1 29.456 -7.439 6.393 3 H3 MET 1 3H MET 1 28.596 -8.125 5.097 4 HA MET 1 HA MET 1 27.948 -5.865 6.626 5 HB2 MET 1 1HB MET 1 27.721 -6.276 4.132 6 HB3 MET 1 2HB MET 1 26.324 -7.290 4.495 7 HG2 MET 1 1HG MET 1 25.476 -5.103 3.974 8 HG3 MET 1 2HG MET 1 25.324 -5.303 5.716 9 HE1 MET 1 3HE MET 1 27.913 -2.427 3.352 10 HE2 MET 1 1HE MET 1 26.163 -2.682 3.215 11 HE3 MET 1 2HE MET 1 27.283 -3.975 2.799 12 H VAL 2 H VAL 2 26.226 -5.421 7.954 13 HA VAL 2 HA VAL 2 25.135 -7.542 9.494 14 HB VAL 2 HB VAL 2 23.732 -5.775 10.525 15 HG11 VAL 2 1HG1 VAL 2 25.626 -4.375 11.337 16 HG12 VAL 2 2HG1 VAL 2 26.638 -5.042 10.056 17 HG13 VAL 2 3HG1 VAL 2 26.021 -6.094 11.329 18 HG21 VAL 2 3HG2 VAL 2 24.935 -4.098 8.302 19 HG22 VAL 2 1HG2 VAL 2 24.146 -3.412 9.722 20 HG23 VAL 2 2HG2 VAL 2 23.225 -4.408 8.599 21 H ASP 3 H ASP 3 23.886 -5.611 6.812 22 HA ASP 3 HA ASP 3 21.206 -6.498 6.936 23 HB2 ASP 3 1HB ASP 3 22.887 -5.436 4.655 24 HB3 ASP 3 2HB ASP 3 21.166 -5.785 4.499 25 H GLN 4 H GLN 4 20.153 -8.177 5.999 26 HA GLN 4 HA GLN 4 21.769 -10.246 4.597 27 HB2 GLN 4 1HB GLN 4 20.330 -11.931 5.715 28 HB3 GLN 4 2HB GLN 4 21.318 -11.020 6.855 29 HG2 GLN 4 1HG GLN 4 19.382 -9.522 7.293 30 HG3 GLN 4 2HG GLN 4 18.400 -10.506 6.207 31 HE21 GLN 4 2HE2 GLN 4 18.239 -10.060 9.241 32 HE22 GLN 4 1HE2 GLN 4 18.219 -11.630 9.885 33 H ASN 5 H ASN 5 19.674 -7.980 4.004 34 HA ASN 5 HA ASN 5 18.069 -7.608 2.438 35 HB2 ASN 5 1HB ASN 5 19.746 -8.746 1.025 36 HB3 ASN 5 2HB ASN 5 18.917 -10.272 1.317 37 HD21 ASN 5 2HD2 ASN 5 16.662 -7.728 1.261 38 HD22 ASN 5 1HD2 ASN 5 16.160 -7.890 -0.351 39 HA PRO 6 HA PRO 6 14.926 -10.355 4.368 40 HB2 PRO 6 1HB PRO 6 12.961 -8.469 4.744 41 HB3 PRO 6 2HB PRO 6 14.340 -8.656 5.846 42 HG2 PRO 6 1HG PRO 6 13.880 -6.612 3.720 43 HG3 PRO 6 2HG PRO 6 14.677 -6.437 5.295 44 HD2 PRO 6 1HD PRO 6 16.004 -6.731 2.842 45 HD3 PRO 6 2HD PRO 6 16.742 -7.034 4.434 46 H GLU 7 H GLU 7 15.401 -9.928 1.439 47 HA GLU 7 HA GLU 7 12.952 -9.436 0.122 48 HB2 GLU 7 1HB GLU 7 15.650 -10.381 -0.593 49 HB3 GLU 7 2HB GLU 7 14.405 -11.130 -1.589 50 HG2 GLU 7 1HG GLU 7 14.577 -8.141 -1.125 51 HG3 GLU 7 2HG GLU 7 15.331 -8.954 -2.497 52 H GLU 8 H GLU 8 14.034 -12.071 1.967 53 HA GLU 8 HA GLU 8 12.541 -14.134 0.663 54 HB2 GLU 8 1HB GLU 8 14.512 -14.512 2.188 55 HB3 GLU 8 2HB GLU 8 13.470 -14.068 3.541 56 HG2 GLU 8 1HG GLU 8 13.408 -16.466 3.388 57 HG3 GLU 8 2HG GLU 8 11.866 -15.893 2.762 58 H TYR 9 H TYR 9 11.877 -11.792 3.178 59 HA TYR 9 HA TYR 9 9.568 -12.892 4.292 60 HB2 TYR 9 1HB TYR 9 10.452 -10.026 3.912 61 HB3 TYR 9 2HB TYR 9 8.993 -10.459 4.801 62 HD1 TYR 9 HD2 TYR 9 12.680 -11.145 4.650 63 HD2 TYR 9 HD1 TYR 9 9.144 -11.084 7.096 64 HE1 TYR 9 HE2 TYR 9 14.055 -11.614 6.654 65 HE2 TYR 9 HE1 TYR 9 10.524 -11.560 9.094 66 HH TYR 9 HH TYR 9 12.792 -12.656 9.548 67 H TYR 10 H TYR 10 10.084 -11.391 1.219 68 HA TYR 10 HA TYR 10 7.604 -10.417 0.508 69 HB2 TYR 10 1HB TYR 10 8.425 -10.397 -1.658 70 HB3 TYR 10 2HB TYR 10 9.931 -10.747 -0.825 71 HD1 TYR 10 HD1 TYR 10 10.261 -13.368 -0.261 72 HD2 TYR 10 HD2 TYR 10 7.851 -11.820 -3.459 73 HE1 TYR 10 HE1 TYR 10 10.416 -15.546 -1.421 74 HE2 TYR 10 HE2 TYR 10 8.009 -13.996 -4.623 75 HH TYR 10 HH TYR 10 9.092 -16.812 -3.123 76 H LEU 11 H LEU 11 8.430 -13.646 1.280 77 HA LEU 11 HA LEU 11 6.884 -15.306 -0.204 78 HB2 LEU 11 1HB LEU 11 6.776 -16.774 1.666 79 HB3 LEU 11 2HB LEU 11 8.274 -15.866 1.839 80 HG LEU 11 HG LEU 11 6.549 -14.218 3.255 81 HD11 LEU 11 1HD1 LEU 11 5.649 -17.023 3.989 82 HD12 LEU 11 2HD1 LEU 11 4.723 -16.014 2.887 83 HD13 LEU 11 3HD1 LEU 11 4.994 -15.484 4.542 84 HD21 LEU 11 3HD2 LEU 11 7.494 -15.221 5.281 85 HD22 LEU 11 1HD2 LEU 11 8.732 -15.089 4.036 86 HD23 LEU 11 2HD2 LEU 11 7.986 -16.647 4.374 87 H GLU 12 H GLU 12 5.785 -12.743 1.823 88 HA GLU 12 HA GLU 12 3.190 -13.574 2.377 89 HB2 GLU 12 1HB GLU 12 2.696 -11.190 2.639 90 HB3 GLU 12 2HB GLU 12 4.233 -11.604 3.394 91 HG2 GLU 12 1HG GLU 12 5.310 -10.864 1.152 92 HG3 GLU 12 2HG GLU 12 3.754 -10.124 0.794 93 H GLY 13 H GLY 13 4.452 -11.728 -0.363 94 HA2 GLY 13 1HA GLY 13 2.269 -11.099 -1.834 95 HA3 GLY 13 2HA GLY 13 3.732 -11.727 -2.589 96 H VAL 14 H VAL 14 3.649 -14.358 -1.542 97 HA VAL 14 HA VAL 14 1.882 -15.610 -3.397 98 HB VAL 14 HB VAL 14 3.316 -16.775 -0.993 99 HG11 VAL 14 1HG1 VAL 14 2.010 -18.037 -3.418 100 HG12 VAL 14 2HG1 VAL 14 1.641 -18.331 -1.718 101 HG13 VAL 14 3HG1 VAL 14 3.167 -18.895 -2.398 102 HG21 VAL 14 3HG2 VAL 14 5.038 -17.424 -2.650 103 HG22 VAL 14 1HG2 VAL 14 4.860 -15.673 -2.546 104 HG23 VAL 14 2HG2 VAL 14 4.149 -16.553 -3.899 105 H LEU 15 H LEU 15 1.858 -15.701 0.179 106 HA LEU 15 HA LEU 15 -0.465 -17.050 0.652 107 HB2 LEU 15 1HB LEU 15 0.188 -14.493 2.142 108 HB3 LEU 15 2HB LEU 15 -0.628 -15.932 2.751 109 HG LEU 15 HG LEU 15 2.279 -15.721 1.937 110 HD11 LEU 15 1HD1 LEU 15 2.668 -16.210 4.326 111 HD12 LEU 15 2HD1 LEU 15 0.927 -16.198 4.605 112 HD13 LEU 15 3HD1 LEU 15 1.750 -14.718 4.109 113 HD21 LEU 15 3HD2 LEU 15 0.557 -18.093 2.721 114 HD22 LEU 15 1HD2 LEU 15 2.310 -18.112 2.920 115 HD23 LEU 15 2HD2 LEU 15 1.613 -17.927 1.315 116 H GLN 16 H GLN 16 -0.413 -13.463 0.513 117 HA GLN 16 HA GLN 16 -3.138 -13.016 0.388 118 HB2 GLN 16 1HB GLN 16 -1.272 -11.275 0.521 119 HB3 GLN 16 2HB GLN 16 -1.112 -11.449 -1.225 120 HG2 GLN 16 1HG GLN 16 -2.580 -9.586 -0.864 121 HG3 GLN 16 2HG GLN 16 -3.593 -10.921 -1.401 122 HE21 GLN 16 2HE2 GLN 16 -2.230 -10.025 1.829 123 HE22 GLN 16 1HE2 GLN 16 -3.723 -10.096 2.628 124 H TYR 17 H TYR 17 -0.961 -13.335 -2.451 125 HA TYR 17 HA TYR 17 -2.828 -13.194 -4.474 126 HB2 TYR 17 1HB TYR 17 -0.355 -13.432 -4.768 127 HB3 TYR 17 2HB TYR 17 -0.514 -15.142 -4.364 128 HD1 TYR 17 HD2 TYR 17 -1.650 -16.705 -5.876 129 HD2 TYR 17 HD1 TYR 17 -1.210 -12.552 -6.886 130 HE1 TYR 17 HE2 TYR 17 -2.259 -17.212 -8.224 131 HE2 TYR 17 HE1 TYR 17 -1.819 -13.061 -9.237 132 HH TYR 17 HH TYR 17 -1.706 -15.138 -10.753 133 H ASP 18 H ASP 18 -1.671 -16.283 -3.048 134 HA ASP 18 HA ASP 18 -3.726 -17.837 -4.242 135 HB2 ASP 18 1HB ASP 18 -1.961 -18.407 -1.849 136 HB3 ASP 18 2HB ASP 18 -2.995 -19.597 -2.639 137 H ALA 19 H ALA 19 -3.215 -17.214 -0.781 138 HA ALA 19 HA ALA 19 -6.147 -17.399 -0.339 139 HB1 ALA 19 3HB ALA 19 -3.975 -17.486 1.771 140 HB2 ALA 19 1HB ALA 19 -4.575 -18.923 0.937 141 HB3 ALA 19 2HB ALA 19 -5.670 -17.961 1.928 142 H GLY 20 H GLY 20 -5.078 -16.053 2.360 143 HA2 GLY 20 1HA GLY 20 -5.334 -13.232 1.423 144 HA3 GLY 20 2HA GLY 20 -6.223 -13.846 2.814 145 H ASN 21 H ASN 21 -5.163 -14.183 4.765 146 HA ASN 21 HA ASN 21 -3.620 -13.722 6.406 147 HB2 ASN 21 1HB ASN 21 -1.793 -14.437 4.107 148 HB3 ASN 21 2HB ASN 21 -1.197 -14.126 5.726 149 HD21 ASN 21 2HD2 ASN 21 -2.505 -16.521 3.662 150 HD22 ASN 21 1HD2 ASN 21 -2.794 -17.704 4.843 151 H TYR 22 H TYR 22 -4.717 -11.510 4.986 152 HA TYR 22 HA TYR 22 -2.737 -9.648 4.199 153 HB2 TYR 22 1HB TYR 22 -4.622 -7.956 4.731 154 HB3 TYR 22 2HB TYR 22 -4.962 -9.172 3.503 155 HD1 TYR 22 HD2 TYR 22 -6.363 -11.151 4.021 156 HD2 TYR 22 HD1 TYR 22 -5.752 -8.003 6.880 157 HE1 TYR 22 HE2 TYR 22 -8.297 -11.971 5.339 158 HE2 TYR 22 HE1 TYR 22 -7.686 -8.825 8.195 159 HH TYR 22 HH TYR 22 -9.168 -10.480 8.445 160 H THR 23 H THR 23 -4.573 -9.940 7.255 161 HA THR 23 HA THR 23 -3.116 -7.931 8.619 162 HB THR 23 HB THR 23 -4.677 -10.286 9.717 163 HG1 THR 23 HG1 THR 23 -5.399 -7.564 9.428 164 HG21 THR 23 3HG2 THR 23 -4.842 -8.750 11.742 165 HG22 THR 23 1HG2 THR 23 -3.558 -7.785 11.013 166 HG23 THR 23 2HG2 THR 23 -3.254 -9.463 11.467 167 H GLU 24 H GLU 24 -2.741 -11.460 8.448 168 HA GLU 24 HA GLU 24 -0.658 -11.657 10.350 169 HB2 GLU 24 1HB GLU 24 -1.262 -13.410 7.959 170 HB3 GLU 24 2HB GLU 24 -0.150 -13.833 9.257 171 HG2 GLU 24 1HG GLU 24 -3.072 -13.164 9.689 172 HG3 GLU 24 2HG GLU 24 -2.458 -14.808 9.524 173 H SER 25 H SER 25 -0.576 -11.263 6.822 174 HA SER 25 HA SER 25 2.163 -11.460 6.396 175 HB2 SER 25 1HB SER 25 1.798 -9.998 4.432 176 HB3 SER 25 2HB SER 25 0.599 -11.281 4.541 177 HG SER 25 HG SER 25 0.210 -8.706 5.643 178 H ILE 26 H ILE 26 0.329 -8.877 7.830 179 HA ILE 26 HA ILE 26 2.054 -6.722 7.537 180 HB ILE 26 HB ILE 26 -0.289 -6.922 8.780 181 HG12 ILE 26 1HG1 ILE 26 1.850 -5.010 9.797 182 HG13 ILE 26 2HG1 ILE 26 0.967 -4.806 8.287 183 HG21 ILE 26 1HG2 ILE 26 0.829 -8.380 10.629 184 HG22 ILE 26 2HG2 ILE 26 -0.227 -7.080 11.169 185 HG23 ILE 26 3HG2 ILE 26 1.523 -6.879 11.220 186 HD11 ILE 26 3HD1 ILE 26 -0.210 -3.470 9.811 187 HD12 ILE 26 1HD1 ILE 26 -0.090 -4.665 11.100 188 HD13 ILE 26 2HD1 ILE 26 -1.173 -4.948 9.732 189 H ASP 27 H ASP 27 2.266 -9.470 9.731 190 HA ASP 27 HA ASP 27 4.316 -8.432 11.375 191 HB2 ASP 27 1HB ASP 27 2.836 -10.423 11.861 192 HB3 ASP 27 2HB ASP 27 3.809 -11.342 10.712 193 H LEU 28 H LEU 28 4.387 -10.593 8.551 194 HA LEU 28 HA LEU 28 7.178 -10.885 8.466 195 HB2 LEU 28 1HB LEU 28 4.995 -11.137 6.401 196 HB3 LEU 28 2HB LEU 28 6.678 -11.334 5.928 197 HG LEU 28 HG LEU 28 5.458 -13.483 6.493 198 HD11 LEU 28 1HD1 LEU 28 7.764 -13.064 8.413 199 HD12 LEU 28 2HD1 LEU 28 8.010 -13.124 6.668 200 HD13 LEU 28 3HD1 LEU 28 7.321 -14.503 7.510 201 HD21 LEU 28 3HD2 LEU 28 4.205 -12.448 8.435 202 HD22 LEU 28 1HD2 LEU 28 5.705 -12.538 9.360 203 HD23 LEU 28 2HD2 LEU 28 4.942 -14.014 8.768 204 H PHE 29 H PHE 29 5.075 -8.590 6.727 205 HA PHE 29 HA PHE 29 7.189 -7.247 5.409 206 HB2 PHE 29 1HB PHE 29 5.205 -6.619 4.401 207 HB3 PHE 29 2HB PHE 29 4.295 -6.758 5.901 208 HD1 PHE 29 HD2 PHE 29 4.209 -4.912 7.504 209 HD2 PHE 29 HD1 PHE 29 6.313 -4.512 3.787 210 HE1 PHE 29 HE2 PHE 29 4.273 -2.455 7.813 211 HE2 PHE 29 HE1 PHE 29 6.399 -2.055 4.105 212 HZ PHE 29 HZ PHE 29 5.348 -1.026 6.109 213 H GLU 30 H GLU 30 5.501 -6.529 8.471 214 HA GLU 30 HA GLU 30 6.745 -4.147 9.111 215 HB2 GLU 30 1HB GLU 30 4.904 -5.079 10.418 216 HB3 GLU 30 2HB GLU 30 5.942 -6.392 10.978 217 HG2 GLU 30 1HG GLU 30 7.380 -4.811 12.142 218 HG3 GLU 30 2HG GLU 30 6.484 -3.449 11.469 219 H LYS 31 H LYS 31 7.925 -7.450 9.519 220 HA LYS 31 HA LYS 31 10.250 -6.767 11.000 221 HB2 LYS 31 1HB LYS 31 9.505 -9.183 9.339 222 HB3 LYS 31 2HB LYS 31 11.059 -9.056 10.161 223 HG2 LYS 31 1HG LYS 31 9.914 -8.765 12.322 224 HG3 LYS 31 2HG LYS 31 8.352 -8.850 11.519 225 HD2 LYS 31 1HD LYS 31 8.755 -11.143 10.828 226 HD3 LYS 31 2HD LYS 31 10.414 -11.071 11.423 227 HE2 LYS 31 1HE LYS 31 8.972 -12.249 13.031 228 HE3 LYS 31 2HE LYS 31 9.572 -10.746 13.723 229 HZ1 LYS 31 3HZ LYS 31 7.511 -9.698 13.362 230 HZ2 LYS 31 1HZ LYS 31 7.140 -11.208 14.038 231 HZ3 LYS 31 2HZ LYS 31 6.948 -10.954 12.368 232 H ALA 32 H ALA 32 9.608 -7.116 7.533 233 HA ALA 32 HA ALA 32 12.215 -6.996 6.569 234 HB1 ALA 32 3HB ALA 32 10.080 -7.375 5.272 235 HB2 ALA 32 1HB ALA 32 11.266 -6.342 4.481 236 HB3 ALA 32 2HB ALA 32 9.857 -5.626 5.267 237 H ILE 33 H ILE 33 9.986 -4.322 7.272 238 HA ILE 33 HA ILE 33 11.782 -2.248 6.578 239 HB ILE 33 HB ILE 33 9.229 -2.430 8.163 240 HG12 ILE 33 1HG1 ILE 33 10.095 -0.686 5.832 241 HG13 ILE 33 2HG1 ILE 33 9.236 -2.218 5.678 242 HG21 ILE 33 1HG2 ILE 33 11.136 -0.094 8.204 243 HG22 ILE 33 2HG2 ILE 33 10.382 -0.884 9.575 244 HG23 ILE 33 3HG2 ILE 33 9.422 0.130 8.512 245 HD11 ILE 33 3HD1 ILE 33 7.568 -0.512 5.562 246 HD12 ILE 33 1HD1 ILE 33 8.262 0.341 6.941 247 HD13 ILE 33 2HD1 ILE 33 7.446 -1.197 7.186 248 H GLN 34 H GLN 34 11.253 -4.045 9.570 249 HA GLN 34 HA GLN 34 12.663 -2.382 11.325 250 HB2 GLN 34 1HB GLN 34 11.237 -4.344 11.957 251 HB3 GLN 34 2HB GLN 34 12.536 -5.400 11.416 252 HG2 GLN 34 1HG GLN 34 14.064 -4.414 13.051 253 HG3 GLN 34 2HG GLN 34 12.804 -3.297 13.577 254 HE21 GLN 34 2HE2 GLN 34 11.715 -4.014 15.417 255 HE22 GLN 34 1HE2 GLN 34 11.486 -5.642 15.841 256 H LEU 35 H LEU 35 13.773 -4.988 9.206 257 HA LEU 35 HA LEU 35 16.502 -4.820 10.073 258 HB2 LEU 35 1HB LEU 35 15.004 -6.265 7.903 259 HB3 LEU 35 2HB LEU 35 16.747 -6.112 7.739 260 HG LEU 35 HG LEU 35 17.033 -7.113 10.004 261 HD11 LEU 35 1HD1 LEU 35 15.066 -8.222 11.040 262 HD12 LEU 35 2HD1 LEU 35 14.030 -7.490 9.819 263 HD13 LEU 35 3HD1 LEU 35 14.878 -6.469 10.981 264 HD21 LEU 35 3HD2 LEU 35 16.552 -9.378 9.335 265 HD22 LEU 35 1HD2 LEU 35 17.004 -8.482 7.885 266 HD23 LEU 35 2HD2 LEU 35 15.307 -8.838 8.210 267 H ASP 36 H ASP 36 14.642 -3.481 7.386 268 HA ASP 36 HA ASP 36 16.771 -1.495 6.943 269 HB2 ASP 36 1HB ASP 36 15.631 -3.225 4.747 270 HB3 ASP 36 2HB ASP 36 16.747 -1.876 4.532 271 HA PRO 37 HA PRO 37 12.673 0.466 6.520 272 HB2 PRO 37 1HB PRO 37 13.146 2.744 7.885 273 HB3 PRO 37 2HB PRO 37 12.948 1.203 8.738 274 HG2 PRO 37 1HG PRO 37 15.459 2.693 8.110 275 HG3 PRO 37 2HG PRO 37 15.023 1.782 9.568 276 HD2 PRO 37 1HD PRO 37 16.609 0.794 7.453 277 HD3 PRO 37 2HD PRO 37 15.813 -0.208 8.689 278 H GLU 38 H GLU 38 13.201 0.554 4.239 279 HA GLU 38 HA GLU 38 13.253 3.171 3.181 280 HB2 GLU 38 1HB GLU 38 15.404 3.042 1.934 281 HB3 GLU 38 2HB GLU 38 15.633 3.162 3.674 282 HG2 GLU 38 1HG GLU 38 15.890 0.670 3.764 283 HG3 GLU 38 2HG GLU 38 15.795 0.635 2.004 284 H GLU 39 H GLU 39 12.947 -0.167 2.945 285 HA GLU 39 HA GLU 39 12.945 -0.506 0.105 286 HB2 GLU 39 1HB GLU 39 11.662 -2.135 2.321 287 HB3 GLU 39 2HB GLU 39 11.813 -2.651 0.644 288 HG2 GLU 39 1HG GLU 39 14.160 -1.897 2.400 289 HG3 GLU 39 2HG GLU 39 13.622 -3.553 2.133 290 H SER 40 H SER 40 11.633 0.938 -0.928 291 HA SER 40 HA SER 40 9.043 1.713 -0.097 292 HB2 SER 40 1HB SER 40 10.123 3.132 -1.660 293 HB3 SER 40 2HB SER 40 10.469 1.795 -2.750 294 HG SER 40 HG SER 40 8.279 1.644 -3.204 295 H LYS 41 H LYS 41 10.121 -0.722 -2.436 296 HA LYS 41 HA LYS 41 7.703 -1.613 -3.458 297 HB2 LYS 41 1HB LYS 41 9.966 -2.423 -4.161 298 HB3 LYS 41 2HB LYS 41 10.052 -3.376 -2.680 299 HG2 LYS 41 1HG LYS 41 8.053 -4.643 -3.354 300 HG3 LYS 41 2HG LYS 41 7.906 -3.661 -4.813 301 HD2 LYS 41 1HD LYS 41 10.115 -4.473 -5.584 302 HD3 LYS 41 2HD LYS 41 10.267 -5.446 -4.123 303 HE2 LYS 41 1HE LYS 41 9.471 -6.945 -5.808 304 HE3 LYS 41 2HE LYS 41 8.068 -6.576 -4.808 305 HZ1 LYS 41 3HZ LYS 41 7.892 -6.427 -7.369 306 HZ2 LYS 41 1HZ LYS 41 8.655 -4.925 -7.175 307 HZ3 LYS 41 2HZ LYS 41 7.164 -5.225 -6.415 308 H TYR 42 H TYR 42 9.076 -2.191 -0.278 309 HA TYR 42 HA TYR 42 7.167 -4.235 0.457 310 HB2 TYR 42 1HB TYR 42 9.429 -2.771 1.765 311 HB3 TYR 42 2HB TYR 42 8.216 -3.451 2.842 312 HD1 TYR 42 HD2 TYR 42 10.396 -4.355 -0.083 313 HD2 TYR 42 HD1 TYR 42 8.321 -5.748 3.413 314 HE1 TYR 42 HE2 TYR 42 11.434 -6.589 -0.350 315 HE2 TYR 42 HE1 TYR 42 9.340 -7.982 3.124 316 HH TYR 42 HH TYR 42 10.368 -9.329 1.457 317 H TRP 43 H TRP 43 7.497 -0.743 0.888 318 HA TRP 43 HA TRP 43 5.359 -0.454 2.737 319 HB2 TRP 43 1HB TRP 43 6.999 1.357 1.012 320 HB3 TRP 43 2HB TRP 43 5.469 1.997 1.585 321 HD1 TRP 43 HD1 TRP 43 8.962 1.176 2.720 322 HE1 TRP 43 HE1 TRP 43 9.221 1.834 5.204 323 HE3 TRP 43 HE3 TRP 43 4.090 2.120 3.882 324 HZ2 TRP 43 HZ2 TRP 43 7.562 2.657 7.394 325 HZ3 TRP 43 HZ3 TRP 43 3.449 2.836 6.166 326 HH2 TRP 43 HH2 TRP 43 5.178 3.105 7.924 327 H LEU 44 H LEU 44 5.543 -0.665 -0.751 328 HA LEU 44 HA LEU 44 3.120 0.438 -1.459 329 HB2 LEU 44 1HB LEU 44 5.017 -0.559 -2.894 330 HB3 LEU 44 2HB LEU 44 4.200 -2.096 -2.691 331 HG LEU 44 HG LEU 44 2.517 0.231 -3.631 332 HD11 LEU 44 1HD1 LEU 44 4.648 0.227 -5.020 333 HD12 LEU 44 2HD1 LEU 44 3.159 -0.024 -5.921 334 HD13 LEU 44 3HD1 LEU 44 4.204 -1.393 -5.547 335 HD21 LEU 44 3HD2 LEU 44 2.571 -2.746 -4.221 336 HD22 LEU 44 1HD2 LEU 44 1.449 -1.609 -4.960 337 HD23 LEU 44 2HD2 LEU 44 1.400 -1.888 -3.226 338 H MET 45 H MET 45 3.834 -2.836 -0.262 339 HA MET 45 HA MET 45 1.247 -3.866 -0.628 340 HB2 MET 45 1HB MET 45 3.388 -4.598 1.391 341 HB3 MET 45 2HB MET 45 1.958 -5.573 1.057 342 HG2 MET 45 1HG MET 45 4.007 -4.772 -1.033 343 HG3 MET 45 2HG MET 45 4.007 -6.323 -0.201 344 HE1 MET 45 3HE MET 45 1.291 -7.563 -0.026 345 HE2 MET 45 1HE MET 45 2.752 -8.257 -0.747 346 HE3 MET 45 2HE MET 45 1.217 -8.343 -1.600 347 H LYS 46 H LYS 46 2.776 -2.178 2.063 348 HA LYS 46 HA LYS 46 0.845 -2.497 4.009 349 HB2 LYS 46 1HB LYS 46 3.022 -1.273 4.297 350 HB3 LYS 46 2HB LYS 46 2.305 0.089 3.449 351 HG2 LYS 46 1HG LYS 46 2.100 0.526 5.810 352 HG3 LYS 46 2HG LYS 46 0.490 0.163 5.204 353 HD2 LYS 46 1HD LYS 46 0.456 -1.985 6.201 354 HD3 LYS 46 2HD LYS 46 2.211 -2.045 6.371 355 HE2 LYS 46 1HE LYS 46 0.367 -0.169 7.883 356 HE3 LYS 46 2HE LYS 46 1.052 -1.659 8.532 357 HZ1 LYS 46 3HZ LYS 46 2.597 -0.164 9.231 358 HZ2 LYS 46 1HZ LYS 46 2.372 0.878 7.913 359 HZ3 LYS 46 2HZ LYS 46 3.263 -0.555 7.717 360 H GLY 47 H GLY 47 1.001 0.254 1.731 361 HA2 GLY 47 1HA GLY 47 -1.459 1.407 2.406 362 HA3 GLY 47 2HA GLY 47 -0.667 1.583 0.842 363 H LYS 48 H LYS 48 -0.723 -0.877 -0.236 364 HA LYS 48 HA LYS 48 -3.310 -1.117 -1.258 365 HB2 LYS 48 1HB LYS 48 -1.068 -2.053 -2.140 366 HB3 LYS 48 2HB LYS 48 -1.396 -3.457 -1.132 367 HG2 LYS 48 1HG LYS 48 -3.676 -3.608 -2.265 368 HG3 LYS 48 2HG LYS 48 -3.116 -2.383 -3.399 369 HD2 LYS 48 1HD LYS 48 -1.571 -4.955 -2.942 370 HD3 LYS 48 2HD LYS 48 -2.868 -4.849 -4.125 371 HE2 LYS 48 1HE LYS 48 -0.538 -2.912 -4.140 372 HE3 LYS 48 2HE LYS 48 -0.498 -4.427 -5.015 373 HZ1 LYS 48 3HZ LYS 48 -1.562 -3.382 -6.634 374 HZ2 LYS 48 1HZ LYS 48 -1.809 -2.002 -5.683 375 HZ3 LYS 48 2HZ LYS 48 -2.926 -3.282 -5.626 376 H ALA 49 H ALA 49 -1.753 -2.838 1.436 377 HA ALA 49 HA ALA 49 -3.833 -4.708 1.877 378 HB1 ALA 49 3HB ALA 49 -2.792 -5.038 4.071 379 HB2 ALA 49 1HB ALA 49 -1.846 -3.564 3.858 380 HB3 ALA 49 2HB ALA 49 -1.559 -4.955 2.814 381 H LEU 50 H LEU 50 -3.105 -1.571 3.379 382 HA LEU 50 HA LEU 50 -5.281 -1.530 5.162 383 HB2 LEU 50 1HB LEU 50 -3.731 0.684 3.838 384 HB3 LEU 50 2HB LEU 50 -4.902 0.970 5.120 385 HG LEU 50 HG LEU 50 -2.545 -0.925 5.437 386 HD11 LEU 50 1HD1 LEU 50 -1.712 1.348 4.941 387 HD12 LEU 50 2HD1 LEU 50 -1.402 0.913 6.622 388 HD13 LEU 50 3HD1 LEU 50 -2.731 2.003 6.226 389 HD21 LEU 50 3HD2 LEU 50 -4.159 -1.355 7.143 390 HD22 LEU 50 1HD2 LEU 50 -4.533 0.354 7.335 391 HD23 LEU 50 2HD2 LEU 50 -2.997 -0.286 7.909 392 H TYR 51 H TYR 51 -4.960 -0.382 1.833 393 HA TYR 51 HA TYR 51 -7.508 0.842 1.667 394 HB2 TYR 51 1HB TYR 51 -6.088 1.464 -0.092 395 HB3 TYR 51 2HB TYR 51 -5.504 -0.183 -0.322 396 HD1 TYR 51 HD2 TYR 51 -8.986 1.235 -0.164 397 HD2 TYR 51 HD1 TYR 51 -6.057 -0.845 -2.527 398 HE1 TYR 51 HE2 TYR 51 -10.667 0.877 -1.953 399 HE2 TYR 51 HE1 TYR 51 -7.739 -1.208 -4.294 400 HH TYR 51 HH TYR 51 -10.966 0.234 -4.087 401 H ASN 52 H ASN 52 -6.420 -2.431 0.708 402 HA ASN 52 HA ASN 52 -8.922 -3.329 -0.193 403 HB2 ASN 52 1HB ASN 52 -6.659 -4.945 0.992 404 HB3 ASN 52 2HB ASN 52 -7.974 -5.575 0.003 405 HD21 ASN 52 2HD2 ASN 52 -7.827 -2.969 -1.663 406 HD22 ASN 52 1HD2 ASN 52 -6.501 -3.226 -2.688 407 H LEU 53 H LEU 53 -7.509 -3.110 2.969 408 HA LEU 53 HA LEU 53 -9.426 -4.800 4.270 409 HB2 LEU 53 1HB LEU 53 -7.327 -2.841 5.236 410 HB3 LEU 53 2HB LEU 53 -8.468 -3.561 6.376 411 HG LEU 53 HG LEU 53 -6.863 -5.284 4.455 412 HD11 LEU 53 1HD1 LEU 53 -5.216 -4.020 5.724 413 HD12 LEU 53 2HD1 LEU 53 -5.282 -5.668 6.350 414 HD13 LEU 53 3HD1 LEU 53 -6.066 -4.359 7.234 415 HD21 LEU 53 3HD2 LEU 53 -7.883 -7.017 5.494 416 HD22 LEU 53 1HD2 LEU 53 -8.981 -5.873 6.256 417 HD23 LEU 53 2HD2 LEU 53 -7.533 -6.399 7.103 418 H GLU 54 H GLU 54 -9.850 -1.966 2.753 419 HA GLU 54 HA GLU 54 -11.721 -0.595 2.674 420 HB2 GLU 54 1HB GLU 54 -13.640 -1.157 3.856 421 HB3 GLU 54 2HB GLU 54 -12.746 -2.652 4.080 422 HG2 GLU 54 1HG GLU 54 -13.109 -2.338 6.357 423 HG3 GLU 54 2HG GLU 54 -11.865 -1.111 6.296 424 H ARG 55 H ARG 55 -9.125 -0.151 4.136 425 HA ARG 55 HA ARG 55 -9.967 2.005 6.020 426 HB2 ARG 55 1HB ARG 55 -7.187 0.829 5.807 427 HB3 ARG 55 2HB ARG 55 -7.903 1.736 7.136 428 HG2 ARG 55 1HG ARG 55 -9.473 -0.121 7.568 429 HG3 ARG 55 2HG ARG 55 -8.740 -1.044 6.255 430 HD2 ARG 55 1HD ARG 55 -6.547 -0.898 7.439 431 HD3 ARG 55 2HD ARG 55 -7.355 -0.090 8.775 432 HE ARG 55 HE ARG 55 -8.556 -2.620 8.100 433 HH11 ARG 55 1HH2 ARG 55 -6.015 -1.019 9.821 434 HH12 ARG 55 2HH2 ARG 55 -5.823 -2.283 10.989 435 HH21 ARG 55 1HH1 ARG 55 -8.307 -4.281 9.625 436 HH22 ARG 55 2HH1 ARG 55 -7.121 -4.129 10.879 437 H TYR 56 H TYR 56 -10.443 3.151 3.927 438 HA TYR 56 HA TYR 56 -8.470 3.936 2.129 439 HB2 TYR 56 1HB TYR 56 -10.703 5.800 2.957 440 HB3 TYR 56 2HB TYR 56 -10.024 5.527 1.354 441 HD1 TYR 56 HD1 TYR 56 -10.338 3.187 0.294 442 HD2 TYR 56 HD2 TYR 56 -12.622 4.587 3.658 443 HE1 TYR 56 HE1 TYR 56 -12.071 1.471 -0.153 444 HE2 TYR 56 HE2 TYR 56 -14.347 2.874 3.202 445 HH TYR 56 HH TYR 56 -13.835 0.304 0.961 446 H GLU 57 H GLU 57 -9.465 5.317 5.235 447 HA GLU 57 HA GLU 57 -7.899 7.649 5.121 448 HB2 GLU 57 1HB GLU 57 -9.732 7.259 6.751 449 HB3 GLU 57 2HB GLU 57 -8.726 6.059 7.562 450 HG2 GLU 57 1HG GLU 57 -7.057 7.746 8.098 451 HG3 GLU 57 2HG GLU 57 -7.935 8.958 7.166 452 H GLU 58 H GLU 58 -7.244 4.496 6.645 453 HA GLU 58 HA GLU 58 -4.611 5.164 7.482 454 HB2 GLU 58 1HB GLU 58 -5.740 2.420 6.910 455 HB3 GLU 58 2HB GLU 58 -4.306 2.774 7.860 456 HG2 GLU 58 1HG GLU 58 -5.747 4.153 9.403 457 HG3 GLU 58 2HG GLU 58 -7.155 3.564 8.522 458 H ALA 59 H ALA 59 -5.909 3.668 4.559 459 HA ALA 59 HA ALA 59 -3.437 2.908 3.414 460 HB1 ALA 59 3HB ALA 59 -5.574 2.039 2.597 461 HB2 ALA 59 1HB ALA 59 -4.693 2.828 1.287 462 HB3 ALA 59 2HB ALA 59 -6.043 3.655 2.067 463 H VAL 60 H VAL 60 -5.418 5.823 2.898 464 HA VAL 60 HA VAL 60 -3.643 7.091 1.120 465 HB VAL 60 HB VAL 60 -5.705 8.192 3.049 466 HG11 VAL 60 1HG1 VAL 60 -5.519 10.291 1.589 467 HG12 VAL 60 2HG1 VAL 60 -3.992 9.632 1.000 468 HG13 VAL 60 3HG1 VAL 60 -4.183 10.021 2.710 469 HG21 VAL 60 3HG2 VAL 60 -6.432 6.775 1.088 470 HG22 VAL 60 1HG2 VAL 60 -5.711 7.981 0.024 471 HG23 VAL 60 2HG2 VAL 60 -7.067 8.419 1.062 472 H ASP 61 H ASP 61 -3.851 7.211 4.680 473 HA ASP 61 HA ASP 61 -1.819 9.136 5.052 474 HB2 ASP 61 1HB ASP 61 -3.494 8.386 6.778 475 HB3 ASP 61 2HB ASP 61 -2.552 6.906 6.960 476 H CYS 62 H CYS 62 -1.736 5.611 4.771 477 HA CYS 62 HA CYS 62 1.040 5.365 5.412 478 HB2 CYS 62 1HB CYS 62 -0.415 3.439 5.647 479 HB3 CYS 62 2HB CYS 62 -0.833 3.502 3.935 480 HG CYS 62 HG CYS 62 2.159 3.079 4.694 481 H TYR 63 H TYR 63 -0.754 5.254 2.323 482 HA TYR 63 HA TYR 63 1.400 4.941 0.610 483 HB2 TYR 63 1HB TYR 63 -0.494 4.939 -0.714 484 HB3 TYR 63 2HB TYR 63 -1.352 6.004 0.393 485 HD1 TYR 63 HD2 TYR 63 -0.984 8.494 0.291 486 HD2 TYR 63 HD1 TYR 63 0.608 5.815 -2.658 487 HE1 TYR 63 HE2 TYR 63 -0.596 10.410 -1.237 488 HE2 TYR 63 HE1 TYR 63 0.986 7.730 -4.196 489 HH TYR 63 HH TYR 63 -0.359 10.349 -4.209 490 H ASN 64 H ASN 64 0.174 7.947 2.080 491 HA ASN 64 HA ASN 64 1.809 9.737 0.688 492 HB2 ASN 64 1HB ASN 64 -0.064 10.479 2.055 493 HB3 ASN 64 2HB ASN 64 0.744 9.905 3.513 494 HD21 ASN 64 2HD2 ASN 64 1.505 11.708 4.622 495 HD22 ASN 64 1HD2 ASN 64 2.303 13.021 3.905 496 H TYR 65 H TYR 65 2.509 7.479 3.207 497 HA TYR 65 HA TYR 65 4.811 8.644 4.312 498 HB2 TYR 65 1HB TYR 65 3.621 6.604 5.191 499 HB3 TYR 65 2HB TYR 65 4.337 5.688 3.866 500 HD1 TYR 65 HD2 TYR 65 6.749 5.304 3.724 501 HD2 TYR 65 HD1 TYR 65 4.993 7.376 7.051 502 HE1 TYR 65 HE2 TYR 65 8.842 4.996 5.014 503 HE2 TYR 65 HE1 TYR 65 7.087 7.070 8.344 504 HH TYR 65 HH TYR 65 9.471 4.908 7.498 505 H VAL 66 H VAL 66 4.407 6.484 1.512 506 HA VAL 66 HA VAL 66 7.185 6.325 0.902 507 HB VAL 66 HB VAL 66 4.769 5.898 -0.873 508 HG11 VAL 66 1HG1 VAL 66 6.434 4.501 -2.204 509 HG12 VAL 66 2HG1 VAL 66 7.712 5.266 -1.259 510 HG13 VAL 66 3HG1 VAL 66 6.679 6.243 -2.302 511 HG21 VAL 66 3HG2 VAL 66 4.938 4.438 1.143 512 HG22 VAL 66 1HG2 VAL 66 6.539 3.929 0.606 513 HG23 VAL 66 2HG2 VAL 66 5.118 3.538 -0.363 514 H ILE 67 H ILE 67 4.561 8.352 -0.385 515 HA ILE 67 HA ILE 67 6.210 9.757 -2.239 516 HB ILE 67 HB ILE 67 3.464 10.238 -1.068 517 HG12 ILE 67 1HG1 ILE 67 2.774 9.890 -3.399 518 HG13 ILE 67 2HG1 ILE 67 4.459 9.801 -3.904 519 HG21 ILE 67 1HG2 ILE 67 4.215 12.491 -1.311 520 HG22 ILE 67 2HG2 ILE 67 3.333 12.156 -2.801 521 HG23 ILE 67 3HG2 ILE 67 5.096 12.120 -2.792 522 HD11 ILE 67 3HD1 ILE 67 3.226 7.568 -3.539 523 HD12 ILE 67 1HD1 ILE 67 3.341 7.919 -1.818 524 HD13 ILE 67 2HD1 ILE 67 4.805 7.739 -2.785 525 H ASN 68 H ASN 68 5.269 10.352 1.111 526 HA ASN 68 HA ASN 68 6.476 12.955 1.237 527 HB2 ASN 68 1HB ASN 68 4.608 12.245 2.702 528 HB3 ASN 68 2HB ASN 68 5.683 11.084 3.480 529 HD21 ASN 68 2HD2 ASN 68 4.658 12.928 5.199 530 HD22 ASN 68 1HD2 ASN 68 5.802 14.120 5.585 531 H VAL 69 H VAL 69 7.276 10.073 3.146 532 HA VAL 69 HA VAL 69 9.798 10.843 3.957 533 HB VAL 69 HB VAL 69 8.926 8.031 3.245 534 HG11 VAL 69 1HG1 VAL 69 11.299 8.041 3.491 535 HG12 VAL 69 2HG1 VAL 69 10.640 7.435 5.008 536 HG13 VAL 69 3HG1 VAL 69 11.215 9.097 4.904 537 HG21 VAL 69 3HG2 VAL 69 8.130 9.886 5.413 538 HG22 VAL 69 1HG2 VAL 69 8.838 8.408 6.057 539 HG23 VAL 69 2HG2 VAL 69 7.448 8.326 4.990 540 H ILE 70 H ILE 70 8.946 9.065 1.002 541 HA ILE 70 HA ILE 70 11.670 9.603 -0.081 542 HB ILE 70 HB ILE 70 9.716 7.465 -0.977 543 HG12 ILE 70 1HG1 ILE 70 12.207 7.149 0.721 544 HG13 ILE 70 2HG1 ILE 70 10.574 7.151 1.385 545 HG21 ILE 70 1HG2 ILE 70 12.667 7.846 -1.507 546 HG22 ILE 70 2HG2 ILE 70 11.393 8.274 -2.644 547 HG23 ILE 70 3HG2 ILE 70 11.632 6.592 -2.184 548 HD11 ILE 70 3HD1 ILE 70 11.702 5.190 -0.631 549 HD12 ILE 70 1HD1 ILE 70 10.004 5.250 -0.154 550 HD13 ILE 70 2HD1 ILE 70 11.242 4.848 1.038 551 H GLU 71 H GLU 71 11.820 10.892 -1.788 552 HA GLU 71 HA GLU 71 9.465 12.177 -2.871 553 HB2 GLU 71 1HB GLU 71 11.834 13.197 -2.450 554 HB3 GLU 71 2HB GLU 71 12.261 12.469 -3.993 555 HG2 GLU 71 1HG GLU 71 11.558 14.704 -4.488 556 HG3 GLU 71 2HG GLU 71 10.229 13.667 -4.981 557 H ASP 72 H ASP 72 9.956 9.240 -3.347 558 HA ASP 72 HA ASP 72 10.558 8.933 -6.138 559 HB2 ASP 72 1HB ASP 72 9.717 6.599 -5.762 560 HB3 ASP 72 2HB ASP 72 11.001 7.084 -4.659 561 H GLU 73 H GLU 73 8.323 10.758 -5.248 562 HA GLU 73 HA GLU 73 5.795 9.755 -5.878 563 HB2 GLU 73 1HB GLU 73 6.255 11.994 -4.875 564 HB3 GLU 73 2HB GLU 73 6.827 12.544 -6.448 565 HG2 GLU 73 1HG GLU 73 4.634 12.098 -7.439 566 HG3 GLU 73 2HG GLU 73 4.053 11.449 -5.906 567 H TYR 74 H TYR 74 6.310 8.271 -7.634 568 HA TYR 74 HA TYR 74 5.642 9.389 -10.184 569 HB2 TYR 74 1HB TYR 74 8.035 9.957 -10.155 570 HB3 TYR 74 2HB TYR 74 8.431 8.267 -9.832 571 HD1 TYR 74 HD1 TYR 74 6.852 10.563 -12.301 572 HD2 TYR 74 HD2 TYR 74 8.474 6.649 -11.600 573 HE1 TYR 74 HE1 TYR 74 6.741 10.081 -14.728 574 HE2 TYR 74 HE2 TYR 74 8.366 6.168 -14.024 575 HH TYR 74 HH TYR 74 8.359 7.526 -16.168 576 H ASN 75 H ASN 75 6.715 6.711 -8.220 577 HA ASN 75 HA ASN 75 6.523 4.521 -9.846 578 HB2 ASN 75 1HB ASN 75 5.650 4.930 -6.989 579 HB3 ASN 75 2HB ASN 75 5.511 3.351 -7.758 580 HD21 ASN 75 2HD2 ASN 75 7.286 4.144 -5.493 581 HD22 ASN 75 1HD2 ASN 75 8.870 3.830 -6.020 582 H LYS 76 H LYS 76 5.074 4.077 -11.354 583 HA LYS 76 HA LYS 76 2.455 5.097 -11.495 584 HB2 LYS 76 1HB LYS 76 3.728 2.706 -12.849 585 HB3 LYS 76 2HB LYS 76 2.155 3.376 -13.285 586 HG2 LYS 76 1HG LYS 76 3.187 5.538 -13.816 587 HG3 LYS 76 2HG LYS 76 4.764 4.933 -13.305 588 HD2 LYS 76 1HD LYS 76 4.693 3.227 -15.072 589 HD3 LYS 76 2HD LYS 76 3.110 3.807 -15.586 590 HE2 LYS 76 1HE LYS 76 4.814 4.776 -17.040 591 HE3 LYS 76 2HE LYS 76 4.127 6.051 -16.035 592 HZ1 LYS 76 3HZ LYS 76 6.805 5.077 -16.138 593 HZ2 LYS 76 1HZ LYS 76 6.192 5.022 -14.560 594 HZ3 LYS 76 2HZ LYS 76 6.198 6.489 -15.415 595 H ASP 77 H ASP 77 3.751 2.076 -10.210 596 HA ASP 77 HA ASP 77 1.276 0.750 -9.831 597 HB2 ASP 77 1HB ASP 77 3.956 0.467 -8.454 598 HB3 ASP 77 2HB ASP 77 2.591 -0.603 -8.145 599 H VAL 78 H VAL 78 3.258 2.732 -7.643 600 HA VAL 78 HA VAL 78 1.544 2.504 -5.396 601 HB VAL 78 HB VAL 78 3.540 4.656 -6.126 602 HG11 VAL 78 1HG1 VAL 78 2.030 4.136 -3.563 603 HG12 VAL 78 2HG1 VAL 78 2.053 5.618 -4.519 604 HG13 VAL 78 3HG1 VAL 78 3.492 5.121 -3.635 605 HG21 VAL 78 3HG2 VAL 78 3.713 2.264 -4.263 606 HG22 VAL 78 1HG2 VAL 78 4.982 3.469 -4.502 607 HG23 VAL 78 2HG2 VAL 78 4.511 2.410 -5.829 608 H TRP 79 H TRP 79 1.839 5.063 -7.864 609 HA TRP 79 HA TRP 79 -0.207 6.717 -6.864 610 HB2 TRP 79 1HB TRP 79 1.315 6.453 -9.405 611 HB3 TRP 79 2HB TRP 79 -0.276 7.175 -9.613 612 HD1 TRP 79 HD1 TRP 79 3.169 7.887 -8.274 613 HE1 TRP 79 HE1 TRP 79 3.261 10.321 -7.424 614 HE3 TRP 79 HE3 TRP 79 -1.791 9.062 -8.441 615 HZ2 TRP 79 HZ2 TRP 79 1.457 12.481 -6.891 616 HZ3 TRP 79 HZ3 TRP 79 -2.580 11.309 -7.758 617 HH2 TRP 79 HH2 TRP 79 -0.962 13.020 -6.983 618 H ALA 80 H ALA 80 -0.350 4.123 -9.322 619 HA ALA 80 HA ALA 80 -3.079 4.362 -9.909 620 HB1 ALA 80 3HB ALA 80 -1.325 1.895 -9.935 621 HB2 ALA 80 1HB ALA 80 -1.515 3.037 -11.265 622 HB3 ALA 80 2HB ALA 80 -2.882 2.051 -10.746 623 H ALA 81 H ALA 81 -1.379 2.508 -7.412 624 HA ALA 81 HA ALA 81 -3.588 1.064 -6.440 625 HB1 ALA 81 3HB ALA 81 -2.262 0.650 -4.475 626 HB2 ALA 81 1HB ALA 81 -1.247 2.056 -4.800 627 HB3 ALA 81 2HB ALA 81 -1.171 0.650 -5.861 628 H LYS 82 H LYS 82 -2.232 4.187 -5.429 629 HA LYS 82 HA LYS 82 -3.973 4.696 -3.301 630 HB2 LYS 82 1HB LYS 82 -1.848 5.965 -4.053 631 HB3 LYS 82 2HB LYS 82 -2.915 6.846 -5.145 632 HG2 LYS 82 1HG LYS 82 -4.319 7.014 -2.730 633 HG3 LYS 82 2HG LYS 82 -2.651 7.067 -2.176 634 HD2 LYS 82 1HD LYS 82 -2.199 8.936 -3.699 635 HD3 LYS 82 2HD LYS 82 -3.843 8.867 -4.296 636 HE2 LYS 82 1HE LYS 82 -4.679 9.335 -2.015 637 HE3 LYS 82 2HE LYS 82 -3.017 9.455 -1.444 638 HZ1 LYS 82 3HZ LYS 82 -3.638 11.060 -3.771 639 HZ2 LYS 82 1HZ LYS 82 -2.744 11.458 -2.387 640 HZ3 LYS 82 2HZ LYS 82 -4.441 11.527 -2.348 641 H ALA 83 H ALA 83 -4.329 5.313 -6.772 642 HA ALA 83 HA ALA 83 -6.622 6.899 -6.759 643 HB1 ALA 83 3HB ALA 83 -6.989 6.142 -9.023 644 HB2 ALA 83 1HB ALA 83 -6.032 4.688 -8.742 645 HB3 ALA 83 2HB ALA 83 -5.247 6.266 -8.775 646 H ASP 84 H ASP 84 -6.410 3.340 -6.873 647 HA ASP 84 HA ASP 84 -9.103 2.709 -6.926 648 HB2 ASP 84 1HB ASP 84 -6.824 1.314 -5.506 649 HB3 ASP 84 2HB ASP 84 -8.436 0.620 -5.673 650 H ALA 85 H ALA 85 -7.091 3.541 -4.119 651 HA ALA 85 HA ALA 85 -9.070 3.086 -2.146 652 HB1 ALA 85 3HB ALA 85 -7.613 4.274 -0.647 653 HB2 ALA 85 1HB ALA 85 -6.808 5.087 -1.992 654 HB3 ALA 85 2HB ALA 85 -6.587 3.355 -1.750 655 H LEU 86 H LEU 86 -8.178 5.935 -4.037 656 HA LEU 86 HA LEU 86 -9.985 7.712 -2.708 657 HB2 LEU 86 1HB LEU 86 -8.650 7.902 -5.421 658 HB3 LEU 86 2HB LEU 86 -9.478 9.224 -4.609 659 HG LEU 86 HG LEU 86 -7.095 7.732 -3.463 660 HD11 LEU 86 1HD1 LEU 86 -5.913 9.925 -3.965 661 HD12 LEU 86 2HD1 LEU 86 -7.306 10.366 -4.948 662 HD13 LEU 86 3HD1 LEU 86 -6.334 8.957 -5.376 663 HD21 LEU 86 3HD2 LEU 86 -7.073 9.941 -2.027 664 HD22 LEU 86 1HD2 LEU 86 -8.195 8.655 -1.601 665 HD23 LEU 86 2HD2 LEU 86 -8.770 10.061 -2.496 666 H ARG 87 H ARG 87 -10.333 5.304 -5.131 667 HA ARG 87 HA ARG 87 -12.608 6.393 -6.459 668 HB2 ARG 87 1HB ARG 87 -11.066 4.554 -7.311 669 HB3 ARG 87 2HB ARG 87 -11.910 3.460 -6.217 670 HG2 ARG 87 1HG ARG 87 -14.031 3.905 -7.323 671 HG3 ARG 87 2HG ARG 87 -13.288 5.139 -8.340 672 HD2 ARG 87 1HD ARG 87 -13.468 3.121 -9.638 673 HD3 ARG 87 2HD ARG 87 -11.768 3.356 -9.249 674 HE ARG 87 HE ARG 87 -12.994 1.728 -7.272 675 HH11 ARG 87 1HH2 ARG 87 -11.943 1.745 -10.567 676 HH12 ARG 87 2HH2 ARG 87 -11.624 0.043 -10.618 677 HH21 ARG 87 1HH1 ARG 87 -12.582 -0.505 -7.332 678 HH22 ARG 87 2HH1 ARG 87 -11.985 -1.230 -8.786 679 H TYR 88 H TYR 88 -12.192 5.161 -3.386 680 HA TYR 88 HA TYR 88 -15.121 4.830 -3.016 681 HB2 TYR 88 1HB TYR 88 -12.966 3.026 -1.877 682 HB3 TYR 88 2HB TYR 88 -14.682 2.957 -1.466 683 HD1 TYR 88 HD1 TYR 88 -16.381 2.594 -3.371 684 HD2 TYR 88 HD2 TYR 88 -12.159 1.908 -3.824 685 HE1 TYR 88 HE1 TYR 88 -16.819 1.194 -5.374 686 HE2 TYR 88 HE2 TYR 88 -12.601 0.514 -5.818 687 HH TYR 88 HH TYR 88 -15.388 -0.832 -6.546 688 H ILE 89 H ILE 89 -13.873 7.185 -2.516 689 HA ILE 89 HA ILE 89 -13.874 7.326 0.453 690 HB ILE 89 HB ILE 89 -11.553 7.593 -0.675 691 HG12 ILE 89 1HG1 ILE 89 -12.538 9.936 0.987 692 HG13 ILE 89 2HG1 ILE 89 -12.184 8.349 1.664 693 HG21 ILE 89 1HG2 ILE 89 -12.548 10.396 -1.286 694 HG22 ILE 89 2HG2 ILE 89 -12.586 9.128 -2.501 695 HG23 ILE 89 3HG2 ILE 89 -11.046 9.631 -1.809 696 HD11 ILE 89 3HD1 ILE 89 -10.226 9.711 1.962 697 HD12 ILE 89 1HD1 ILE 89 -10.247 10.207 0.271 698 HD13 ILE 89 2HD1 ILE 89 -9.866 8.539 0.697 699 H GLU 90 H GLU 90 -15.001 8.996 1.341 700 HA GLU 90 HA GLU 90 -17.066 10.211 -0.137 701 HB2 GLU 90 1HB GLU 90 -15.857 10.890 2.552 702 HB3 GLU 90 2HB GLU 90 -17.304 11.672 1.916 703 HG2 GLU 90 1HG GLU 90 -18.442 9.511 1.764 704 HG3 GLU 90 2HG GLU 90 -16.984 8.679 2.298 705 H GLY 91 H GLY 91 -17.001 11.834 -1.531 706 HA2 GLY 91 1HA GLY 91 -15.541 14.259 -1.098 707 HA3 GLY 91 2HA GLY 91 -14.769 13.268 -2.334 708 H LYS 92 H LYS 92 -15.429 15.404 -3.480 709 HA LYS 92 HA LYS 92 -18.225 15.512 -4.325 710 HB2 LYS 92 1HB LYS 92 -15.793 17.169 -5.057 711 HB3 LYS 92 2HB LYS 92 -17.400 17.432 -5.733 712 HG2 LYS 92 1HG LYS 92 -18.313 17.811 -3.488 713 HG3 LYS 92 2HG LYS 92 -16.735 17.493 -2.772 714 HD2 LYS 92 1HD LYS 92 -15.797 19.437 -3.968 715 HD3 LYS 92 2HD LYS 92 -17.367 19.745 -4.708 716 HE2 LYS 92 1HE LYS 92 -18.357 20.089 -2.470 717 HE3 LYS 92 2HE LYS 92 -16.787 19.772 -1.729 718 HZ1 LYS 92 3HZ LYS 92 -15.992 21.644 -3.281 719 HZ2 LYS 92 1HZ LYS 92 -16.832 22.059 -1.868 720 HZ3 LYS 92 2HZ LYS 92 -17.635 22.067 -3.366 721 H GLU 93 H GLU 93 -16.494 13.177 -4.959 722 HA GLU 93 HA GLU 93 -16.081 11.735 -6.708 723 HB2 GLU 93 1HB GLU 93 -18.256 13.405 -7.992 724 HB3 GLU 93 2HB GLU 93 -17.676 11.857 -8.601 725 HG2 GLU 93 1HG GLU 93 -18.832 12.266 -5.832 726 HG3 GLU 93 2HG GLU 93 -19.757 11.675 -7.208 727 H VAL 94 H VAL 94 -14.328 13.909 -6.504 728 HA VAL 94 HA VAL 94 -13.600 14.337 -9.351 729 HB VAL 94 HB VAL 94 -14.454 16.437 -8.368 730 HG11 VAL 94 1HG1 VAL 94 -12.133 16.221 -6.434 731 HG12 VAL 94 2HG1 VAL 94 -13.790 15.799 -6.001 732 HG13 VAL 94 3HG1 VAL 94 -13.393 17.453 -6.468 733 HG21 VAL 94 3HG2 VAL 94 -11.432 16.510 -8.654 734 HG22 VAL 94 1HG2 VAL 94 -12.572 17.810 -9.004 735 HG23 VAL 94 2HG2 VAL 94 -12.534 16.372 -10.024 736 H GLU 95 H GLU 95 -12.543 13.827 -6.020 737 HA GLU 95 HA GLU 95 -9.781 13.979 -6.397 738 HB2 GLU 95 1HB GLU 95 -11.409 12.208 -4.567 739 HB3 GLU 95 2HB GLU 95 -9.654 12.357 -4.470 740 HG2 GLU 95 1HG GLU 95 -9.865 14.777 -4.081 741 HG3 GLU 95 2HG GLU 95 -11.619 14.657 -4.221 742 H ALA 96 H ALA 96 -11.886 11.096 -6.647 743 HA ALA 96 HA ALA 96 -9.876 9.293 -7.436 744 HB1 ALA 96 3HB ALA 96 -11.654 7.831 -8.103 745 HB2 ALA 96 1HB ALA 96 -12.771 9.184 -8.310 746 HB3 ALA 96 2HB ALA 96 -12.230 8.727 -6.696 747 H GLU 97 H GLU 97 -11.808 11.587 -9.291 748 HA GLU 97 HA GLU 97 -11.195 10.571 -11.868 749 HB2 GLU 97 1HB GLU 97 -11.922 13.366 -10.960 750 HB3 GLU 97 2HB GLU 97 -11.789 12.892 -12.646 751 HG2 GLU 97 1HG GLU 97 -13.552 11.224 -12.345 752 HG3 GLU 97 2HG GLU 97 -13.647 11.604 -10.625 753 H ILE 98 H ILE 98 -9.729 13.249 -10.019 754 HA ILE 98 HA ILE 98 -7.678 13.815 -11.887 755 HB ILE 98 HB ILE 98 -8.129 14.413 -8.967 756 HG12 ILE 98 1HG1 ILE 98 -8.152 16.707 -9.719 757 HG13 ILE 98 2HG1 ILE 98 -7.503 16.256 -11.292 758 HG21 ILE 98 1HG2 ILE 98 -5.940 15.792 -9.082 759 HG22 ILE 98 2HG2 ILE 98 -5.517 14.764 -10.451 760 HG23 ILE 98 3HG2 ILE 98 -5.781 14.047 -8.864 761 HD11 ILE 98 3HD1 ILE 98 -9.534 15.271 -11.981 762 HD12 ILE 98 1HD1 ILE 98 -10.055 16.706 -11.104 763 HD13 ILE 98 2HD1 ILE 98 -10.123 15.133 -10.337 764 H ALA 99 H ALA 99 -7.760 11.655 -9.056 765 HA ALA 99 HA ALA 99 -5.051 10.947 -9.122 766 HB1 ALA 99 3HB ALA 99 -7.477 9.393 -8.209 767 HB2 ALA 99 1HB ALA 99 -6.439 10.423 -7.223 768 HB3 ALA 99 2HB ALA 99 -5.812 8.912 -7.884 769 H GLU 100 H GLU 100 -7.859 9.217 -10.469 770 HA GLU 100 HA GLU 100 -6.454 7.176 -11.721 771 HB2 GLU 100 1HB GLU 100 -8.973 7.380 -11.463 772 HB3 GLU 100 2HB GLU 100 -8.947 8.480 -12.842 773 HG2 GLU 100 1HG GLU 100 -7.747 5.693 -12.980 774 HG3 GLU 100 2HG GLU 100 -9.433 6.012 -13.369 775 H ALA 101 H ALA 101 -7.174 10.450 -12.857 776 HA ALA 101 HA ALA 101 -6.140 10.041 -15.495 777 HB1 ALA 101 3HB ALA 101 -7.715 11.835 -15.083 778 HB2 ALA 101 1HB ALA 101 -6.186 12.530 -15.620 779 HB3 ALA 101 2HB ALA 101 -6.622 12.572 -13.911 780 H ARG 102 H ARG 102 -4.825 11.561 -12.567 781 HA ARG 102 HA ARG 102 -2.324 12.270 -13.651 782 HB2 ARG 102 1HB ARG 102 -3.186 11.667 -10.815 783 HB3 ARG 102 2HB ARG 102 -1.562 12.218 -11.206 784 HG2 ARG 102 1HG ARG 102 -4.033 13.757 -12.061 785 HG3 ARG 102 2HG ARG 102 -3.259 14.022 -10.501 786 HD2 ARG 102 1HD ARG 102 -1.084 14.415 -11.810 787 HD3 ARG 102 2HD ARG 102 -2.084 14.477 -13.255 788 HE ARG 102 HE ARG 102 -3.006 16.239 -11.173 789 HH11 ARG 102 1HH2 ARG 102 -0.809 15.763 -13.800 790 HH12 ARG 102 2HH2 ARG 102 -0.623 17.451 -14.139 791 HH21 ARG 102 1HH1 ARG 102 -2.767 18.459 -11.603 792 HH22 ARG 102 2HH1 ARG 102 -1.733 18.979 -12.892 793 H ALA 103 H ALA 103 -3.422 9.293 -12.087 794 HA ALA 103 HA ALA 103 -0.945 8.021 -11.829 795 HB1 ALA 103 3HB ALA 103 -2.974 7.141 -10.809 796 HB2 ALA 103 1HB ALA 103 -2.267 5.917 -11.866 797 HB3 ALA 103 2HB ALA 103 -3.671 6.839 -12.402 798 H LYS 104 H LYS 104 -3.265 7.913 -14.513 799 HA LYS 104 HA LYS 104 -1.569 6.292 -16.184 800 HB2 LYS 104 1HB LYS 104 -4.200 7.705 -16.468 801 HB3 LYS 104 2HB LYS 104 -3.358 7.265 -17.951 802 HG2 LYS 104 1HG LYS 104 -4.921 5.490 -17.259 803 HG3 LYS 104 2HG LYS 104 -3.256 4.918 -17.211 804 HD2 LYS 104 1HD LYS 104 -3.178 5.231 -14.786 805 HD3 LYS 104 2HD LYS 104 -4.799 5.926 -14.802 806 HE2 LYS 104 1HE LYS 104 -4.157 3.129 -15.768 807 HE3 LYS 104 2HE LYS 104 -4.747 3.496 -14.147 808 HZ1 LYS 104 3HZ LYS 104 -6.722 4.459 -15.087 809 HZ2 LYS 104 1HZ LYS 104 -6.537 2.885 -15.685 810 HZ3 LYS 104 2HZ LYS 104 -6.145 4.215 -16.666 811 H LEU 105 H LEU 105 -2.450 9.736 -16.118 812 HA LEU 105 HA LEU 105 -0.881 10.453 -18.374 813 HB2 LEU 105 1HB LEU 105 -2.778 11.777 -17.150 814 HB3 LEU 105 2HB LEU 105 -1.490 12.363 -16.103 815 HG LEU 105 HG LEU 105 -1.522 12.608 -19.135 816 HD11 LEU 105 1HD1 LEU 105 -1.954 14.721 -17.004 817 HD12 LEU 105 2HD1 LEU 105 -3.240 13.989 -17.965 818 HD13 LEU 105 3HD1 LEU 105 -1.997 14.966 -18.750 819 HD21 LEU 105 3HD2 LEU 105 0.757 12.628 -18.516 820 HD22 LEU 105 1HD2 LEU 105 0.445 13.457 -16.990 821 HD23 LEU 105 2HD2 LEU 105 0.341 14.335 -18.518 822 H GLU 106 H GLU 106 1.164 9.622 -18.227 823 HA GLU 106 HA GLU 106 2.975 10.933 -16.292 824 HB2 GLU 106 1HB GLU 106 2.887 7.964 -16.909 825 HB3 GLU 106 2HB GLU 106 4.192 8.763 -16.033 826 HG2 GLU 106 1HG GLU 106 1.283 8.807 -15.177 827 HG3 GLU 106 2HG GLU 106 2.493 7.713 -14.521 828 H HIS 107 H HIS 107 2.821 8.839 -19.173 829 HA HIS 107 HA HIS 107 4.488 10.631 -20.673 830 HB2 HIS 107 1HB HIS 107 6.381 9.152 -21.013 831 HB3 HIS 107 2HB HIS 107 6.192 9.457 -19.289 832 HD1 HIS 107 HD1 HIS 107 3.532 7.259 -20.025 833 HD2 HIS 107 HD2 HIS 107 7.642 6.706 -19.607 834 HE1 HIS 107 HE1 HIS 107 3.881 4.790 -19.571 835 HE2 HIS 107 HE2 HIS 107 6.383 4.438 -19.315 836 H HIS 108 H HIS 108 5.293 9.133 -22.735 837 HA HIS 108 HA HIS 108 2.836 8.471 -24.054 838 HB2 HIS 108 1HB HIS 108 5.720 8.067 -24.897 839 HB3 HIS 108 2HB HIS 108 4.320 7.850 -25.948 840 HD1 HIS 108 HD1 HIS 108 6.397 10.480 -24.286 841 HD2 HIS 108 HD2 HIS 108 2.983 10.283 -26.670 842 HE1 HIS 108 HE1 HIS 108 5.926 12.846 -25.059 843 HE2 HIS 108 HE2 HIS 108 3.846 12.741 -26.513 844 H HIS 109 H HIS 109 1.923 6.521 -24.395 845 HA HIS 109 HA HIS 109 3.393 4.037 -24.021 846 HB2 HIS 109 1HB HIS 109 2.734 4.664 -21.700 847 HB3 HIS 109 2HB HIS 109 1.046 4.669 -22.211 848 HD1 HIS 109 HD1 HIS 109 0.017 2.354 -22.952 849 HD2 HIS 109 HD2 HIS 109 3.841 2.100 -21.310 850 HE1 HIS 109 HE1 HIS 109 0.409 -0.093 -22.425 851 HE2 HIS 109 HE2 HIS 109 2.735 -0.265 -21.423 852 H HIS 110 H HIS 110 0.057 5.331 -24.127 853 HA HIS 110 HA HIS 110 -0.896 3.096 -25.672 854 HB2 HIS 110 1HB HIS 110 -2.318 4.419 -24.087 855 HB3 HIS 110 2HB HIS 110 -2.224 5.779 -25.206 856 HD1 HIS 110 HD1 HIS 110 -3.368 5.470 -27.560 857 HD2 HIS 110 HD2 HIS 110 -4.066 2.354 -24.882 858 HE1 HIS 110 HE1 HIS 110 -5.277 4.113 -28.523 859 HE2 HIS 110 HE2 HIS 110 -5.714 2.208 -26.900 860 H HIS 111 H HIS 111 -0.846 2.853 -27.802 861 HA HIS 111 HA HIS 111 0.392 4.822 -29.496 862 HB2 HIS 111 1HB HIS 111 -0.974 2.193 -30.124 863 HB3 HIS 111 2HB HIS 111 -0.114 3.177 -31.308 864 HD1 HIS 111 HD1 HIS 111 0.434 0.934 -28.358 865 HD2 HIS 111 HD2 HIS 111 2.731 3.221 -30.981 866 HE1 HIS 111 HE1 HIS 111 2.843 0.239 -27.994 867 HE2 HIS 111 HE2 HIS 111 4.254 1.625 -29.586 868 H HIS 112 H HIS 112 -0.523 6.250 -30.863 869 HA HIS 112 HA HIS 112 -3.217 7.027 -30.513 870 HB2 HIS 112 1HB HIS 112 -1.454 8.582 -31.251 871 HB3 HIS 112 2HB HIS 112 -1.312 7.698 -32.771 872 HD1 HIS 112 HD1 HIS 112 -3.941 9.611 -30.781 873 HD2 HIS 112 HD2 HIS 112 -3.101 8.531 -34.717 874 HE1 HIS 112 HE1 HIS 112 -5.669 10.769 -32.226 875 HE2 HIS 112 HE2 HIS 112 -5.170 10.120 -34.630 Start of MODEL 10 1 H1 MET 1 1H MET 1 21.460 -8.843 10.376 2 H2 MET 1 2H MET 1 21.622 -8.555 12.042 3 H3 MET 1 3H MET 1 22.320 -9.937 11.343 4 HA MET 1 HA MET 1 23.135 -7.114 10.967 5 HB2 MET 1 1HB MET 1 24.604 -9.568 11.985 6 HB3 MET 1 2HB MET 1 25.277 -7.944 11.853 7 HG2 MET 1 1HG MET 1 24.614 -8.134 14.129 8 HG3 MET 1 2HG MET 1 23.323 -7.197 13.378 9 HE1 MET 1 3HE MET 1 23.258 -8.998 16.174 10 HE2 MET 1 1HE MET 1 21.543 -9.412 16.054 11 HE3 MET 1 2HE MET 1 22.099 -7.805 15.597 12 H VAL 2 H VAL 2 24.034 -10.464 10.115 13 HA VAL 2 HA VAL 2 25.591 -9.746 7.866 14 HB VAL 2 HB VAL 2 25.390 -12.152 7.242 15 HG11 VAL 2 1HG1 VAL 2 25.938 -11.542 10.164 16 HG12 VAL 2 2HG1 VAL 2 27.105 -11.488 8.843 17 HG13 VAL 2 3HG1 VAL 2 26.415 -13.030 9.348 18 HG21 VAL 2 3HG2 VAL 2 24.130 -13.634 8.792 19 HG22 VAL 2 1HG2 VAL 2 23.065 -12.513 7.947 20 HG23 VAL 2 2HG2 VAL 2 23.512 -12.210 9.626 21 H ASP 3 H ASP 3 22.169 -10.278 8.308 22 HA ASP 3 HA ASP 3 21.505 -10.637 5.555 23 HB2 ASP 3 1HB ASP 3 19.867 -9.791 7.957 24 HB3 ASP 3 2HB ASP 3 19.177 -10.069 6.358 25 H GLN 4 H GLN 4 22.256 -9.087 4.218 26 HA GLN 4 HA GLN 4 22.291 -6.311 4.807 27 HB2 GLN 4 1HB GLN 4 23.715 -7.399 3.060 28 HB3 GLN 4 2HB GLN 4 22.269 -7.641 2.082 29 HG2 GLN 4 1HG GLN 4 23.385 -5.619 1.324 30 HG3 GLN 4 2HG GLN 4 21.890 -5.154 2.120 31 HE21 GLN 4 2HE2 GLN 4 22.128 -3.508 3.630 32 HE22 GLN 4 1HE2 GLN 4 23.567 -3.142 4.453 33 H ASN 5 H ASN 5 20.010 -8.415 3.118 34 HA ASN 5 HA ASN 5 17.947 -6.400 3.513 35 HB2 ASN 5 1HB ASN 5 17.228 -6.618 1.072 36 HB3 ASN 5 2HB ASN 5 18.692 -5.691 1.375 37 HD21 ASN 5 2HD2 ASN 5 19.402 -8.943 1.943 38 HD22 ASN 5 1HD2 ASN 5 20.033 -9.327 0.414 39 HA PRO 6 HA PRO 6 15.328 -9.899 4.202 40 HB2 PRO 6 1HB PRO 6 13.210 -8.582 2.521 41 HB3 PRO 6 2HB PRO 6 13.142 -9.121 4.190 42 HG2 PRO 6 1HG PRO 6 13.292 -6.547 3.593 43 HG3 PRO 6 2HG PRO 6 14.129 -7.225 5.005 44 HD2 PRO 6 1HD PRO 6 15.271 -6.434 2.341 45 HD3 PRO 6 2HD PRO 6 15.936 -6.241 3.976 46 H GLU 7 H GLU 7 14.002 -9.031 1.028 47 HA GLU 7 HA GLU 7 13.939 -10.116 -0.976 48 HB2 GLU 7 1HB GLU 7 16.321 -11.714 -0.011 49 HB3 GLU 7 2HB GLU 7 15.801 -11.468 -1.665 50 HG2 GLU 7 1HG GLU 7 16.677 -9.234 0.190 51 HG3 GLU 7 2HG GLU 7 17.705 -9.987 -1.023 52 H GLU 8 H GLU 8 14.671 -12.336 1.698 53 HA GLU 8 HA GLU 8 13.140 -14.498 0.564 54 HB2 GLU 8 1HB GLU 8 14.321 -14.104 3.319 55 HB3 GLU 8 2HB GLU 8 13.557 -15.590 2.754 56 HG2 GLU 8 1HG GLU 8 15.900 -14.278 1.352 57 HG3 GLU 8 2HG GLU 8 16.074 -15.573 2.533 58 H TYR 9 H TYR 9 12.614 -12.013 2.993 59 HA TYR 9 HA TYR 9 10.285 -12.923 4.200 60 HB2 TYR 9 1HB TYR 9 11.228 -10.129 3.566 61 HB3 TYR 9 2HB TYR 9 9.781 -10.436 4.509 62 HD1 TYR 9 HD1 TYR 9 13.402 -11.540 4.400 63 HD2 TYR 9 HD2 TYR 9 10.014 -10.567 6.849 64 HE1 TYR 9 HE1 TYR 9 14.767 -11.887 6.422 65 HE2 TYR 9 HE2 TYR 9 11.388 -10.924 8.872 66 HH TYR 9 HH TYR 9 13.395 -12.081 9.555 67 H TYR 10 H TYR 10 10.766 -12.051 0.960 68 HA TYR 10 HA TYR 10 8.304 -10.932 0.225 69 HB2 TYR 10 1HB TYR 10 9.059 -11.205 -1.954 70 HB3 TYR 10 2HB TYR 10 10.576 -11.516 -1.120 71 HD1 TYR 10 HD2 TYR 10 11.096 -13.974 -0.472 72 HD2 TYR 10 HD1 TYR 10 8.108 -12.879 -3.338 73 HE1 TYR 10 HE2 TYR 10 11.142 -16.278 -1.382 74 HE2 TYR 10 HE1 TYR 10 8.139 -15.180 -4.248 75 HH TYR 10 HH TYR 10 9.047 -17.689 -2.884 76 H LEU 11 H LEU 11 8.928 -13.991 1.528 77 HA LEU 11 HA LEU 11 7.326 -15.791 0.232 78 HB2 LEU 11 1HB LEU 11 7.000 -16.879 2.415 79 HB3 LEU 11 2HB LEU 11 8.663 -16.355 2.189 80 HG LEU 11 HG LEU 11 7.656 -14.121 3.418 81 HD11 LEU 11 1HD1 LEU 11 6.250 -14.890 5.334 82 HD12 LEU 11 2HD1 LEU 11 6.086 -16.456 4.546 83 HD13 LEU 11 3HD1 LEU 11 5.417 -15.013 3.789 84 HD21 LEU 11 3HD2 LEU 11 8.651 -16.617 4.820 85 HD22 LEU 11 1HD2 LEU 11 8.632 -14.996 5.519 86 HD23 LEU 11 2HD2 LEU 11 9.661 -15.346 4.127 87 H GLU 12 H GLU 12 6.383 -12.994 2.059 88 HA GLU 12 HA GLU 12 3.783 -13.591 2.749 89 HB2 GLU 12 1HB GLU 12 5.085 -11.497 3.266 90 HB3 GLU 12 2HB GLU 12 4.745 -10.956 1.627 91 HG2 GLU 12 1HG GLU 12 2.523 -11.767 3.524 92 HG3 GLU 12 2HG GLU 12 3.164 -10.131 3.509 93 H GLY 13 H GLY 13 4.925 -12.160 -0.288 94 HA2 GLY 13 1HA GLY 13 2.719 -11.738 -1.774 95 HA3 GLY 13 2HA GLY 13 4.122 -12.546 -2.466 96 H VAL 14 H VAL 14 3.865 -14.910 -0.765 97 HA VAL 14 HA VAL 14 1.917 -16.371 -2.340 98 HB VAL 14 HB VAL 14 3.654 -17.319 -0.051 99 HG11 VAL 14 1HG1 VAL 14 1.845 -18.864 -0.495 100 HG12 VAL 14 2HG1 VAL 14 3.315 -19.533 -1.201 101 HG13 VAL 14 3HG1 VAL 14 2.116 -18.755 -2.234 102 HG21 VAL 14 3HG2 VAL 14 5.064 -16.410 -1.793 103 HG22 VAL 14 1HG2 VAL 14 4.129 -17.228 -3.043 104 HG23 VAL 14 2HG2 VAL 14 5.110 -18.168 -1.920 105 H LEU 15 H LEU 15 2.425 -15.751 1.133 106 HA LEU 15 HA LEU 15 0.270 -17.043 2.230 107 HB2 LEU 15 1HB LEU 15 1.186 -14.247 2.991 108 HB3 LEU 15 2HB LEU 15 0.244 -15.334 4.006 109 HG LEU 15 HG LEU 15 3.068 -15.851 3.004 110 HD11 LEU 15 1HD1 LEU 15 3.705 -15.563 5.336 111 HD12 LEU 15 2HD1 LEU 15 2.020 -15.367 5.811 112 HD13 LEU 15 3HD1 LEU 15 2.804 -14.135 4.826 113 HD21 LEU 15 3HD2 LEU 15 2.157 -18.011 3.186 114 HD22 LEU 15 1HD2 LEU 15 1.059 -17.561 4.491 115 HD23 LEU 15 2HD2 LEU 15 2.784 -17.772 4.809 116 H GLN 16 H GLN 16 0.086 -13.562 1.445 117 HA GLN 16 HA GLN 16 -2.636 -13.268 1.663 118 HB2 GLN 16 1HB GLN 16 -1.333 -11.309 1.235 119 HB3 GLN 16 2HB GLN 16 -0.668 -11.989 -0.247 120 HG2 GLN 16 1HG GLN 16 -2.504 -10.216 -0.540 121 HG3 GLN 16 2HG GLN 16 -2.736 -11.720 -1.422 122 HE21 GLN 16 2HE2 GLN 16 -4.991 -12.019 -1.383 123 HE22 GLN 16 1HE2 GLN 16 -5.931 -12.005 0.031 124 H TYR 17 H TYR 17 -0.903 -14.146 -1.363 125 HA TYR 17 HA TYR 17 -3.100 -14.486 -3.019 126 HB2 TYR 17 1HB TYR 17 -0.698 -14.597 -3.705 127 HB3 TYR 17 2HB TYR 17 -0.610 -16.207 -2.989 128 HD1 TYR 17 HD1 TYR 17 -2.105 -14.175 -5.700 129 HD2 TYR 17 HD2 TYR 17 -1.684 -18.111 -4.035 130 HE1 TYR 17 HE1 TYR 17 -3.038 -15.156 -7.781 131 HE2 TYR 17 HE2 TYR 17 -2.614 -19.091 -6.110 132 HH TYR 17 HH TYR 17 -2.722 -17.697 -8.911 133 H ASP 18 H ASP 18 -1.402 -17.143 -1.312 134 HA ASP 18 HA ASP 18 -3.607 -18.956 -1.718 135 HB2 ASP 18 1HB ASP 18 -1.078 -19.161 -0.071 136 HB3 ASP 18 2HB ASP 18 -2.249 -20.468 -0.247 137 H ALA 19 H ALA 19 -2.018 -18.175 1.347 138 HA ALA 19 HA ALA 19 -4.382 -18.668 2.884 139 HB1 ALA 19 3HB ALA 19 -2.062 -19.009 3.745 140 HB2 ALA 19 1HB ALA 19 -3.050 -17.998 4.800 141 HB3 ALA 19 2HB ALA 19 -1.842 -17.258 3.749 142 H GLY 20 H GLY 20 -6.078 -17.334 2.882 143 HA2 GLY 20 1HA GLY 20 -5.872 -14.524 2.220 144 HA3 GLY 20 2HA GLY 20 -7.339 -15.410 2.622 145 H ASN 21 H ASN 21 -4.300 -14.564 4.280 146 HA ASN 21 HA ASN 21 -5.900 -13.617 6.609 147 HB2 ASN 21 1HB ASN 21 -3.819 -14.251 7.933 148 HB3 ASN 21 2HB ASN 21 -4.805 -15.581 7.347 149 HD21 ASN 21 2HD2 ASN 21 -2.880 -16.983 7.398 150 HD22 ASN 21 1HD2 ASN 21 -1.699 -16.863 6.185 151 H TYR 22 H TYR 22 -5.621 -11.729 4.879 152 HA TYR 22 HA TYR 22 -3.384 -10.265 4.438 153 HB2 TYR 22 1HB TYR 22 -6.023 -9.186 5.506 154 HB3 TYR 22 2HB TYR 22 -4.778 -8.208 4.727 155 HD1 TYR 22 HD2 TYR 22 -7.228 -10.950 4.232 156 HD2 TYR 22 HD1 TYR 22 -4.479 -8.250 2.331 157 HE1 TYR 22 HE2 TYR 22 -8.158 -11.562 2.016 158 HE2 TYR 22 HE1 TYR 22 -5.412 -8.859 0.116 159 HH TYR 22 HH TYR 22 -7.377 -11.548 -0.369 160 H THR 23 H THR 23 -5.098 -10.538 7.539 161 HA THR 23 HA THR 23 -3.714 -8.621 9.021 162 HB THR 23 HB THR 23 -4.580 -11.327 10.066 163 HG1 THR 23 HG1 THR 23 -6.425 -10.658 9.295 164 HG21 THR 23 3HG2 THR 23 -4.909 -10.113 12.160 165 HG22 THR 23 1HG2 THR 23 -4.455 -8.597 11.384 166 HG23 THR 23 2HG2 THR 23 -3.254 -9.872 11.602 167 H GLU 24 H GLU 24 -2.895 -12.079 8.560 168 HA GLU 24 HA GLU 24 -0.541 -12.081 10.088 169 HB2 GLU 24 1HB GLU 24 -1.535 -13.720 7.783 170 HB3 GLU 24 2HB GLU 24 0.126 -13.952 8.299 171 HG2 GLU 24 1HG GLU 24 -1.438 -15.523 9.426 172 HG3 GLU 24 2HG GLU 24 -0.597 -14.471 10.559 173 H SER 25 H SER 25 -0.982 -11.347 6.634 174 HA SER 25 HA SER 25 1.651 -11.068 5.851 175 HB2 SER 25 1HB SER 25 -0.580 -9.209 5.020 176 HB3 SER 25 2HB SER 25 0.873 -9.623 4.106 177 HG SER 25 HG SER 25 0.096 -11.810 4.124 178 H ILE 26 H ILE 26 -0.348 -8.796 7.656 179 HA ILE 26 HA ILE 26 1.412 -6.585 7.577 180 HB ILE 26 HB ILE 26 -0.819 -7.392 9.414 181 HG12 ILE 26 1HG1 ILE 26 -1.668 -5.110 8.674 182 HG13 ILE 26 2HG1 ILE 26 -0.318 -5.064 7.552 183 HG21 ILE 26 1HG2 ILE 26 1.190 -5.214 9.957 184 HG22 ILE 26 2HG2 ILE 26 0.604 -6.462 11.060 185 HG23 ILE 26 3HG2 ILE 26 -0.454 -5.132 10.594 186 HD11 ILE 26 3HD1 ILE 26 -1.133 -7.203 6.552 187 HD12 ILE 26 1HD1 ILE 26 -2.302 -5.897 6.416 188 HD13 ILE 26 2HD1 ILE 26 -2.515 -7.134 7.642 189 H ASP 27 H ASP 27 1.129 -9.279 9.884 190 HA ASP 27 HA ASP 27 3.004 -8.357 11.729 191 HB2 ASP 27 1HB ASP 27 2.231 -11.157 10.893 192 HB3 ASP 27 2HB ASP 27 3.301 -10.826 12.245 193 H LEU 28 H LEU 28 3.423 -10.366 8.835 194 HA LEU 28 HA LEU 28 6.220 -10.615 9.196 195 HB2 LEU 28 1HB LEU 28 4.909 -12.232 7.883 196 HB3 LEU 28 2HB LEU 28 4.543 -10.993 6.694 197 HG LEU 28 HG LEU 28 6.403 -12.591 6.082 198 HD11 LEU 28 1HD1 LEU 28 6.158 -9.964 5.394 199 HD12 LEU 28 2HD1 LEU 28 7.392 -11.029 4.762 200 HD13 LEU 28 3HD1 LEU 28 7.777 -9.952 6.084 201 HD21 LEU 28 3HD2 LEU 28 8.526 -12.503 7.142 202 HD22 LEU 28 1HD2 LEU 28 7.366 -12.565 8.469 203 HD23 LEU 28 2HD2 LEU 28 8.111 -11.041 8.015 204 H PHE 29 H PHE 29 4.208 -8.457 7.242 205 HA PHE 29 HA PHE 29 6.248 -7.169 5.820 206 HB2 PHE 29 1HB PHE 29 3.459 -6.573 6.568 207 HB3 PHE 29 2HB PHE 29 4.410 -5.118 6.342 208 HD1 PHE 29 HD1 PHE 29 4.602 -8.443 4.599 209 HD2 PHE 29 HD2 PHE 29 3.751 -4.260 4.261 210 HE1 PHE 29 HE1 PHE 29 4.399 -8.679 2.138 211 HE2 PHE 29 HE2 PHE 29 3.522 -4.504 1.824 212 HZ PHE 29 HZ PHE 29 3.863 -6.718 0.756 213 H GLU 30 H GLU 30 4.945 -6.405 9.055 214 HA GLU 30 HA GLU 30 6.405 -4.100 9.563 215 HB2 GLU 30 1HB GLU 30 4.620 -5.014 11.031 216 HB3 GLU 30 2HB GLU 30 5.722 -6.294 11.537 217 HG2 GLU 30 1HG GLU 30 7.278 -4.627 12.452 218 HG3 GLU 30 2HG GLU 30 6.233 -3.324 11.888 219 H LYS 31 H LYS 31 7.393 -7.482 9.738 220 HA LYS 31 HA LYS 31 9.880 -7.014 11.045 221 HB2 LYS 31 1HB LYS 31 9.049 -9.300 9.250 222 HB3 LYS 31 2HB LYS 31 10.471 -9.278 10.274 223 HG2 LYS 31 1HG LYS 31 9.058 -9.020 12.267 224 HG3 LYS 31 2HG LYS 31 7.619 -9.010 11.255 225 HD2 LYS 31 1HD LYS 31 8.269 -11.307 10.429 226 HD3 LYS 31 2HD LYS 31 9.561 -11.310 11.627 227 HE2 LYS 31 1HE LYS 31 6.602 -11.029 12.224 228 HE3 LYS 31 2HE LYS 31 7.564 -12.484 12.478 229 HZ1 LYS 31 3HZ LYS 31 8.177 -9.878 13.752 230 HZ2 LYS 31 1HZ LYS 31 8.867 -11.386 14.104 231 HZ3 LYS 31 2HZ LYS 31 7.239 -11.086 14.493 232 H ALA 32 H ALA 32 8.997 -7.420 7.618 233 HA ALA 32 HA ALA 32 11.565 -7.245 6.524 234 HB1 ALA 32 3HB ALA 32 9.583 -7.884 5.224 235 HB2 ALA 32 1HB ALA 32 10.441 -6.551 4.452 236 HB3 ALA 32 2HB ALA 32 8.959 -6.239 5.357 237 H ILE 33 H ILE 33 9.191 -4.637 7.030 238 HA ILE 33 HA ILE 33 10.820 -2.518 6.150 239 HB ILE 33 HB ILE 33 8.536 -2.622 8.141 240 HG12 ILE 33 1HG1 ILE 33 8.639 -1.491 5.328 241 HG13 ILE 33 2HG1 ILE 33 8.154 -3.150 5.678 242 HG21 ILE 33 1HG2 ILE 33 9.720 -0.647 8.773 243 HG22 ILE 33 2HG2 ILE 33 8.452 -0.078 7.690 244 HG23 ILE 33 3HG2 ILE 33 10.093 -0.260 7.104 245 HD11 ILE 33 3HD1 ILE 33 6.833 -0.663 6.806 246 HD12 ILE 33 1HD1 ILE 33 6.341 -2.327 7.121 247 HD13 ILE 33 2HD1 ILE 33 6.189 -1.655 5.496 248 H GLN 34 H GLN 34 10.434 -3.970 9.381 249 HA GLN 34 HA GLN 34 11.911 -2.183 10.890 250 HB2 GLN 34 1HB GLN 34 10.643 -4.196 11.735 251 HB3 GLN 34 2HB GLN 34 11.995 -5.195 11.203 252 HG2 GLN 34 1HG GLN 34 12.296 -4.719 13.556 253 HG3 GLN 34 2HG GLN 34 13.505 -3.799 12.665 254 HE21 GLN 34 2HE2 GLN 34 13.708 -1.902 13.921 255 HE22 GLN 34 1HE2 GLN 34 12.403 -0.899 14.335 256 H LEU 35 H LEU 35 13.018 -4.736 8.737 257 HA LEU 35 HA LEU 35 15.774 -4.529 9.489 258 HB2 LEU 35 1HB LEU 35 14.216 -5.935 7.358 259 HB3 LEU 35 2HB LEU 35 15.920 -5.674 7.034 260 HG LEU 35 HG LEU 35 16.433 -6.751 9.263 261 HD11 LEU 35 1HD1 LEU 35 13.539 -7.629 9.155 262 HD12 LEU 35 2HD1 LEU 35 14.119 -6.341 10.211 263 HD13 LEU 35 3HD1 LEU 35 14.717 -7.982 10.414 264 HD21 LEU 35 3HD2 LEU 35 16.679 -8.074 7.276 265 HD22 LEU 35 1HD2 LEU 35 14.935 -8.315 7.141 266 HD23 LEU 35 2HD2 LEU 35 15.837 -9.078 8.455 267 H ASP 36 H ASP 36 13.787 -3.098 6.953 268 HA ASP 36 HA ASP 36 15.615 -0.898 6.707 269 HB2 ASP 36 1HB ASP 36 16.796 -2.573 5.389 270 HB3 ASP 36 2HB ASP 36 15.370 -2.782 4.372 271 HA PRO 37 HA PRO 37 11.458 0.308 5.348 272 HB2 PRO 37 1HB PRO 37 11.492 2.905 6.066 273 HB3 PRO 37 2HB PRO 37 11.441 1.627 7.298 274 HG2 PRO 37 1HG PRO 37 13.784 3.229 6.349 275 HG3 PRO 37 2HG PRO 37 13.337 2.760 8.002 276 HD2 PRO 37 1HD PRO 37 15.219 1.408 6.444 277 HD3 PRO 37 2HD PRO 37 14.345 0.687 7.820 278 H GLU 38 H GLU 38 14.483 1.275 4.172 279 HA GLU 38 HA GLU 38 13.684 3.178 2.188 280 HB2 GLU 38 1HB GLU 38 16.128 1.388 2.402 281 HB3 GLU 38 2HB GLU 38 15.927 2.648 1.185 282 HG2 GLU 38 1HG GLU 38 15.809 3.150 4.172 283 HG3 GLU 38 2HG GLU 38 17.260 3.369 3.197 284 H GLU 39 H GLU 39 11.980 0.874 2.180 285 HA GLU 39 HA GLU 39 12.424 -0.109 -0.594 286 HB2 GLU 39 1HB GLU 39 11.466 -1.686 1.813 287 HB3 GLU 39 2HB GLU 39 11.373 -2.252 0.147 288 HG2 GLU 39 1HG GLU 39 13.808 -2.075 -0.080 289 HG3 GLU 39 2HG GLU 39 13.929 -1.439 1.558 290 H SER 40 H SER 40 10.980 1.209 -1.584 291 HA SER 40 HA SER 40 8.427 1.905 -0.554 292 HB2 SER 40 1HB SER 40 9.301 3.367 -2.188 293 HB3 SER 40 2HB SER 40 9.667 2.045 -3.292 294 HG SER 40 HG SER 40 7.037 2.665 -2.440 295 H LYS 41 H LYS 41 9.485 -0.517 -2.898 296 HA LYS 41 HA LYS 41 7.065 -1.520 -3.786 297 HB2 LYS 41 1HB LYS 41 9.616 -3.012 -3.122 298 HB3 LYS 41 2HB LYS 41 8.259 -3.753 -3.968 299 HG2 LYS 41 1HG LYS 41 8.440 -1.936 -5.703 300 HG3 LYS 41 2HG LYS 41 9.910 -1.385 -4.909 301 HD2 LYS 41 1HD LYS 41 9.456 -4.165 -6.060 302 HD3 LYS 41 2HD LYS 41 10.421 -2.893 -6.810 303 HE2 LYS 41 1HE LYS 41 11.014 -4.480 -4.307 304 HE3 LYS 41 2HE LYS 41 12.049 -4.199 -5.704 305 HZ1 LYS 41 3HZ LYS 41 11.475 -2.443 -3.435 306 HZ2 LYS 41 1HZ LYS 41 11.767 -1.720 -4.942 307 HZ3 LYS 41 2HZ LYS 41 12.942 -2.730 -4.241 308 H TYR 42 H TYR 42 8.618 -2.016 -0.662 309 HA TYR 42 HA TYR 42 6.782 -4.078 0.201 310 HB2 TYR 42 1HB TYR 42 9.030 -2.503 1.423 311 HB3 TYR 42 2HB TYR 42 7.900 -3.303 2.515 312 HD1 TYR 42 HD1 TYR 42 9.965 -3.987 -0.561 313 HD2 TYR 42 HD2 TYR 42 8.257 -5.575 3.052 314 HE1 TYR 42 HE1 TYR 42 11.144 -6.135 -0.942 315 HE2 TYR 42 HE2 TYR 42 9.425 -7.719 2.658 316 HH TYR 42 HH TYR 42 10.824 -8.547 -0.270 317 H TRP 43 H TRP 43 7.004 -0.575 0.454 318 HA TRP 43 HA TRP 43 4.865 -0.371 2.391 319 HB2 TRP 43 1HB TRP 43 6.555 1.541 0.808 320 HB3 TRP 43 2HB TRP 43 5.048 2.132 1.491 321 HD1 TRP 43 HD1 TRP 43 8.580 1.404 2.407 322 HE1 TRP 43 HE1 TRP 43 8.894 1.711 4.950 323 HE3 TRP 43 HE3 TRP 43 3.705 1.739 3.861 324 HZ2 TRP 43 HZ2 TRP 43 7.281 2.055 7.295 325 HZ3 TRP 43 HZ3 TRP 43 3.116 2.064 6.246 326 HH2 TRP 43 HH2 TRP 43 4.895 2.219 7.964 327 H LEU 44 H LEU 44 5.212 -0.038 -1.122 328 HA LEU 44 HA LEU 44 2.695 0.996 -1.708 329 HB2 LEU 44 1HB LEU 44 4.488 0.855 -3.334 330 HB3 LEU 44 2HB LEU 44 4.445 -0.892 -3.281 331 HG LEU 44 HG LEU 44 1.799 0.351 -3.896 332 HD11 LEU 44 1HD1 LEU 44 4.023 0.457 -5.948 333 HD12 LEU 44 2HD1 LEU 44 3.338 1.847 -5.121 334 HD13 LEU 44 3HD1 LEU 44 2.333 0.899 -6.195 335 HD21 LEU 44 3HD2 LEU 44 1.831 -1.446 -5.659 336 HD22 LEU 44 1HD2 LEU 44 2.070 -2.065 -4.031 337 HD23 LEU 44 2HD2 LEU 44 3.442 -1.896 -5.123 338 H MET 45 H MET 45 3.751 -2.352 -1.198 339 HA MET 45 HA MET 45 1.255 -3.521 -1.911 340 HB2 MET 45 1HB MET 45 3.739 -4.431 -0.493 341 HB3 MET 45 2HB MET 45 2.293 -5.437 -0.382 342 HG2 MET 45 1HG MET 45 3.754 -6.106 -2.274 343 HG3 MET 45 2HG MET 45 2.170 -5.560 -2.822 344 HE1 MET 45 3HE MET 45 4.280 -4.305 -5.735 345 HE2 MET 45 1HE MET 45 2.631 -4.760 -5.283 346 HE3 MET 45 2HE MET 45 3.977 -5.837 -4.917 347 H LYS 46 H LYS 46 2.639 -2.377 1.121 348 HA LYS 46 HA LYS 46 0.731 -3.431 2.877 349 HB2 LYS 46 1HB LYS 46 2.879 -2.225 3.498 350 HB3 LYS 46 2HB LYS 46 2.036 -0.714 3.176 351 HG2 LYS 46 1HG LYS 46 0.362 -1.226 4.880 352 HG3 LYS 46 2HG LYS 46 1.078 -2.816 5.152 353 HD2 LYS 46 1HD LYS 46 3.178 -1.736 5.908 354 HD3 LYS 46 2HD LYS 46 2.447 -0.151 5.656 355 HE2 LYS 46 1HE LYS 46 2.283 -0.746 8.021 356 HE3 LYS 46 2HE LYS 46 0.674 -0.745 7.309 357 HZ1 LYS 46 3HZ LYS 46 2.261 -3.224 7.405 358 HZ2 LYS 46 1HZ LYS 46 0.578 -3.040 7.307 359 HZ3 LYS 46 2HZ LYS 46 1.384 -2.716 8.768 360 H GLY 47 H GLY 47 0.725 -0.332 1.127 361 HA2 GLY 47 1HA GLY 47 -1.590 0.804 2.152 362 HA3 GLY 47 2HA GLY 47 -1.024 1.040 0.502 363 H LYS 48 H LYS 48 -1.278 -1.539 -0.518 364 HA LYS 48 HA LYS 48 -4.006 -1.627 -1.231 365 HB2 LYS 48 1HB LYS 48 -1.851 -3.747 -1.463 366 HB3 LYS 48 2HB LYS 48 -3.446 -3.860 -2.209 367 HG2 LYS 48 1HG LYS 48 -3.032 -1.855 -3.530 368 HG3 LYS 48 2HG LYS 48 -1.495 -1.589 -2.708 369 HD2 LYS 48 1HD LYS 48 -0.689 -3.792 -3.597 370 HD3 LYS 48 2HD LYS 48 -2.194 -3.941 -4.504 371 HE2 LYS 48 1HE LYS 48 -0.366 -1.541 -4.800 372 HE3 LYS 48 2HE LYS 48 -0.183 -2.986 -5.790 373 HZ1 LYS 48 3HZ LYS 48 -2.887 -2.278 -5.789 374 HZ2 LYS 48 1HZ LYS 48 -1.797 -2.244 -7.089 375 HZ3 LYS 48 2HZ LYS 48 -1.994 -0.868 -6.112 376 H ALA 49 H ALA 49 -2.175 -3.286 1.293 377 HA ALA 49 HA ALA 49 -4.175 -5.195 1.954 378 HB1 ALA 49 3HB ALA 49 -2.867 -5.644 3.905 379 HB2 ALA 49 1HB ALA 49 -2.112 -4.050 3.850 380 HB3 ALA 49 2HB ALA 49 -1.722 -5.255 2.622 381 H LEU 50 H LEU 50 -3.296 -2.068 3.403 382 HA LEU 50 HA LEU 50 -5.344 -2.063 5.351 383 HB2 LEU 50 1HB LEU 50 -3.782 0.156 4.043 384 HB3 LEU 50 2HB LEU 50 -4.874 0.425 5.388 385 HG LEU 50 HG LEU 50 -2.642 -1.621 5.564 386 HD11 LEU 50 1HD1 LEU 50 -2.536 1.365 6.055 387 HD12 LEU 50 2HD1 LEU 50 -1.468 0.369 5.071 388 HD13 LEU 50 3HD1 LEU 50 -1.408 0.247 6.827 389 HD21 LEU 50 3HD2 LEU 50 -4.387 -0.157 7.572 390 HD22 LEU 50 1HD2 LEU 50 -2.883 -0.939 8.053 391 HD23 LEU 50 2HD2 LEU 50 -4.185 -1.896 7.364 392 H TYR 51 H TYR 51 -5.165 -0.714 2.079 393 HA TYR 51 HA TYR 51 -7.615 0.648 2.073 394 HB2 TYR 51 1HB TYR 51 -6.267 1.100 0.201 395 HB3 TYR 51 2HB TYR 51 -5.901 -0.603 -0.070 396 HD1 TYR 51 HD1 TYR 51 -8.597 1.957 -0.284 397 HD2 TYR 51 HD2 TYR 51 -7.283 -1.944 -1.498 398 HE1 TYR 51 HE1 TYR 51 -10.478 1.818 -1.906 399 HE2 TYR 51 HE2 TYR 51 -9.163 -2.081 -3.109 400 HH TYR 51 HH TYR 51 -11.794 -0.364 -3.006 401 H ASN 52 H ASN 52 -6.913 -2.718 1.050 402 HA ASN 52 HA ASN 52 -9.559 -3.382 0.387 403 HB2 ASN 52 1HB ASN 52 -7.235 -5.090 1.298 404 HB3 ASN 52 2HB ASN 52 -8.760 -5.750 0.708 405 HD21 ASN 52 2HD2 ASN 52 -9.397 -4.230 -1.472 406 HD22 ASN 52 1HD2 ASN 52 -8.160 -4.275 -2.633 407 H LEU 53 H LEU 53 -7.950 -3.083 3.420 408 HA LEU 53 HA LEU 53 -9.889 -4.626 4.924 409 HB2 LEU 53 1HB LEU 53 -7.529 -2.914 5.699 410 HB3 LEU 53 2HB LEU 53 -8.617 -3.576 6.911 411 HG LEU 53 HG LEU 53 -7.277 -5.312 4.799 412 HD11 LEU 53 1HD1 LEU 53 -5.724 -5.964 6.715 413 HD12 LEU 53 2HD1 LEU 53 -6.295 -4.522 7.557 414 HD13 LEU 53 3HD1 LEU 53 -5.449 -4.367 6.016 415 HD21 LEU 53 3HD2 LEU 53 -7.729 -6.998 6.809 416 HD22 LEU 53 1HD2 LEU 53 -9.015 -6.588 5.690 417 HD23 LEU 53 2HD2 LEU 53 -8.950 -5.818 7.274 418 H GLU 54 H GLU 54 -10.496 -2.083 3.312 419 HA GLU 54 HA GLU 54 -12.158 -0.497 3.397 420 HB2 GLU 54 1HB GLU 54 -12.646 -1.431 6.250 421 HB3 GLU 54 2HB GLU 54 -13.716 -0.461 5.268 422 HG2 GLU 54 1HG GLU 54 -14.005 -2.298 3.684 423 HG3 GLU 54 2HG GLU 54 -12.857 -3.286 4.588 424 H ARG 55 H ARG 55 -9.353 -0.462 4.923 425 HA ARG 55 HA ARG 55 -9.698 1.985 6.518 426 HB2 ARG 55 1HB ARG 55 -7.122 0.510 5.961 427 HB3 ARG 55 2HB ARG 55 -7.478 1.625 7.268 428 HG2 ARG 55 1HG ARG 55 -9.079 0.062 8.225 429 HG3 ARG 55 2HG ARG 55 -8.810 -1.058 6.894 430 HD2 ARG 55 1HD ARG 55 -6.470 -1.303 7.532 431 HD3 ARG 55 2HD ARG 55 -6.684 -0.147 8.838 432 HE ARG 55 HE ARG 55 -8.562 -2.215 9.162 433 HH11 ARG 55 1HH2 ARG 55 -5.149 -1.640 9.245 434 HH12 ARG 55 2HH2 ARG 55 -4.829 -2.884 10.405 435 HH21 ARG 55 1HH1 ARG 55 -8.147 -3.849 10.683 436 HH22 ARG 55 2HH1 ARG 55 -6.524 -4.135 11.218 437 H TYR 56 H TYR 56 -10.401 2.788 4.172 438 HA TYR 56 HA TYR 56 -8.520 3.385 2.197 439 HB2 TYR 56 1HB TYR 56 -10.762 5.267 2.973 440 HB3 TYR 56 2HB TYR 56 -10.097 4.957 1.367 441 HD1 TYR 56 HD2 TYR 56 -12.223 3.621 4.081 442 HD2 TYR 56 HD1 TYR 56 -10.723 2.974 0.116 443 HE1 TYR 56 HE2 TYR 56 -13.895 1.820 3.744 444 HE2 TYR 56 HE1 TYR 56 -12.392 1.171 -0.228 445 HH TYR 56 HH TYR 56 -14.337 -0.048 2.394 446 H GLU 57 H GLU 57 -9.312 5.084 5.191 447 HA GLU 57 HA GLU 57 -7.723 7.386 4.684 448 HB2 GLU 57 1HB GLU 57 -8.721 6.145 7.261 449 HB3 GLU 57 2HB GLU 57 -7.901 7.704 7.174 450 HG2 GLU 57 1HG GLU 57 -9.636 8.587 5.710 451 HG3 GLU 57 2HG GLU 57 -10.426 7.013 5.644 452 H GLU 58 H GLU 58 -7.134 4.472 6.638 453 HA GLU 58 HA GLU 58 -4.506 5.168 7.395 454 HB2 GLU 58 1HB GLU 58 -6.072 3.256 8.297 455 HB3 GLU 58 2HB GLU 58 -5.334 2.289 7.019 456 HG2 GLU 58 1HG GLU 58 -3.108 2.725 7.915 457 HG3 GLU 58 2HG GLU 58 -3.785 3.774 9.156 458 H ALA 59 H ALA 59 -5.739 3.275 4.660 459 HA ALA 59 HA ALA 59 -3.297 2.411 3.611 460 HB1 ALA 59 3HB ALA 59 -5.577 1.679 2.869 461 HB2 ALA 59 1HB ALA 59 -4.480 2.065 1.541 462 HB3 ALA 59 2HB ALA 59 -5.732 3.215 2.011 463 H VAL 60 H VAL 60 -5.053 5.446 3.108 464 HA VAL 60 HA VAL 60 -3.355 6.537 1.147 465 HB VAL 60 HB VAL 60 -5.219 7.745 3.194 466 HG11 VAL 60 1HG1 VAL 60 -3.571 9.472 3.036 467 HG12 VAL 60 2HG1 VAL 60 -4.824 9.944 1.890 468 HG13 VAL 60 3HG1 VAL 60 -3.337 9.194 1.314 469 HG21 VAL 60 3HG2 VAL 60 -5.243 7.884 0.155 470 HG22 VAL 60 1HG2 VAL 60 -6.572 8.237 1.269 471 HG23 VAL 60 2HG2 VAL 60 -6.018 6.575 1.063 472 H ASP 61 H ASP 61 -3.103 6.476 4.678 473 HA ASP 61 HA ASP 61 -1.024 8.335 4.955 474 HB2 ASP 61 1HB ASP 61 -1.520 5.871 6.639 475 HB3 ASP 61 2HB ASP 61 -0.601 7.290 7.113 476 H CYS 62 H CYS 62 -0.987 4.896 4.149 477 HA CYS 62 HA CYS 62 1.842 4.584 4.347 478 HB2 CYS 62 1HB CYS 62 -0.277 2.997 2.894 479 HB3 CYS 62 2HB CYS 62 1.423 2.527 2.932 480 HG CYS 62 HG CYS 62 0.573 1.370 5.006 481 H TYR 63 H TYR 63 -0.341 5.063 1.553 482 HA TYR 63 HA TYR 63 1.669 5.137 -0.402 483 HB2 TYR 63 1HB TYR 63 -1.047 6.468 -0.292 484 HB3 TYR 63 2HB TYR 63 -0.029 6.472 -1.730 485 HD1 TYR 63 HD2 TYR 63 0.979 4.007 -2.322 486 HD2 TYR 63 HD1 TYR 63 -2.676 4.755 -0.192 487 HE1 TYR 63 HE2 TYR 63 0.146 1.765 -2.943 488 HE2 TYR 63 HE1 TYR 63 -3.502 2.515 -0.819 489 HH TYR 63 HH TYR 63 -1.635 0.093 -1.840 490 H ASN 64 H ASN 64 0.246 7.750 1.560 491 HA ASN 64 HA ASN 64 1.661 9.860 0.326 492 HB2 ASN 64 1HB ASN 64 -0.306 10.236 1.737 493 HB3 ASN 64 2HB ASN 64 0.586 9.663 3.146 494 HD21 ASN 64 2HD2 ASN 64 0.489 11.747 4.231 495 HD22 ASN 64 1HD2 ASN 64 1.376 13.081 3.670 496 H TYR 65 H TYR 65 2.435 7.681 2.974 497 HA TYR 65 HA TYR 65 4.713 8.999 3.953 498 HB2 TYR 65 1HB TYR 65 3.739 7.152 5.183 499 HB3 TYR 65 2HB TYR 65 4.055 6.044 3.860 500 HD1 TYR 65 HD1 TYR 65 5.572 7.972 6.603 501 HD2 TYR 65 HD2 TYR 65 6.300 5.241 3.365 502 HE1 TYR 65 HE1 TYR 65 7.834 7.501 7.503 503 HE2 TYR 65 HE2 TYR 65 8.559 4.768 4.265 504 HH TYR 65 HH TYR 65 10.243 6.122 5.790 505 H VAL 66 H VAL 66 4.341 6.602 1.356 506 HA VAL 66 HA VAL 66 7.110 6.353 0.757 507 HB VAL 66 HB VAL 66 4.683 5.934 -1.000 508 HG11 VAL 66 1HG1 VAL 66 7.614 5.247 -1.382 509 HG12 VAL 66 2HG1 VAL 66 6.569 6.173 -2.463 510 HG13 VAL 66 3HG1 VAL 66 6.323 4.439 -2.276 511 HG21 VAL 66 3HG2 VAL 66 6.413 3.950 0.499 512 HG22 VAL 66 1HG2 VAL 66 4.940 3.600 -0.404 513 HG23 VAL 66 2HG2 VAL 66 4.859 4.543 1.083 514 H ILE 67 H ILE 67 4.650 8.643 -0.277 515 HA ILE 67 HA ILE 67 6.367 9.862 -2.278 516 HB ILE 67 HB ILE 67 3.711 10.804 -1.164 517 HG12 ILE 67 1HG1 ILE 67 4.305 9.302 -3.740 518 HG13 ILE 67 2HG1 ILE 67 3.725 8.516 -2.274 519 HG21 ILE 67 1HG2 ILE 67 3.621 12.116 -3.263 520 HG22 ILE 67 2HG2 ILE 67 5.228 11.534 -3.700 521 HG23 ILE 67 3HG2 ILE 67 5.019 12.586 -2.299 522 HD11 ILE 67 3HD1 ILE 67 1.741 10.014 -2.280 523 HD12 ILE 67 1HD1 ILE 67 1.828 9.014 -3.731 524 HD13 ILE 67 2HD1 ILE 67 2.302 10.713 -3.798 525 H ASN 68 H ASN 68 5.767 10.201 1.101 526 HA ASN 68 HA ASN 68 6.696 12.936 1.301 527 HB2 ASN 68 1HB ASN 68 5.056 12.067 2.892 528 HB3 ASN 68 2HB ASN 68 6.199 10.835 3.424 529 HD21 ASN 68 2HD2 ASN 68 5.830 14.403 3.203 530 HD22 ASN 68 1HD2 ASN 68 6.804 14.738 4.551 531 H VAL 69 H VAL 69 7.909 10.205 3.168 532 HA VAL 69 HA VAL 69 10.447 11.169 3.631 533 HB VAL 69 HB VAL 69 11.158 8.696 3.734 534 HG11 VAL 69 1HG1 VAL 69 8.669 9.540 5.262 535 HG12 VAL 69 2HG1 VAL 69 10.326 9.971 5.685 536 HG13 VAL 69 3HG1 VAL 69 9.812 8.288 5.750 537 HG21 VAL 69 3HG2 VAL 69 8.905 8.307 2.091 538 HG22 VAL 69 1HG2 VAL 69 8.349 7.780 3.670 539 HG23 VAL 69 2HG2 VAL 69 9.762 7.042 2.946 540 H ILE 70 H ILE 70 9.340 9.373 0.784 541 HA ILE 70 HA ILE 70 11.956 9.839 -0.541 542 HB ILE 70 HB ILE 70 9.750 7.943 -1.376 543 HG12 ILE 70 1HG1 ILE 70 12.350 7.223 -0.005 544 HG13 ILE 70 2HG1 ILE 70 10.843 7.418 0.877 545 HG21 ILE 70 1HG2 ILE 70 11.383 7.033 -2.876 546 HG22 ILE 70 2HG2 ILE 70 12.664 8.012 -2.162 547 HG23 ILE 70 3HG2 ILE 70 11.401 8.778 -3.114 548 HD11 ILE 70 3HD1 ILE 70 9.791 5.624 -0.316 549 HD12 ILE 70 1HD1 ILE 70 11.374 5.028 0.196 550 HD13 ILE 70 2HD1 ILE 70 11.118 5.538 -1.478 551 H GLU 71 H GLU 71 11.973 11.566 -1.779 552 HA GLU 71 HA GLU 71 9.627 12.912 -2.699 553 HB2 GLU 71 1HB GLU 71 11.995 13.879 -2.218 554 HB3 GLU 71 2HB GLU 71 12.401 13.332 -3.843 555 HG2 GLU 71 1HG GLU 71 10.553 14.691 -4.770 556 HG3 GLU 71 2HG GLU 71 10.112 15.206 -3.146 557 H ASP 72 H ASP 72 9.968 10.082 -3.572 558 HA ASP 72 HA ASP 72 10.756 9.678 -6.165 559 HB2 ASP 72 1HB ASP 72 9.725 7.997 -4.544 560 HB3 ASP 72 2HB ASP 72 8.153 8.591 -5.061 561 H GLU 73 H GLU 73 7.472 10.665 -5.181 562 HA GLU 73 HA GLU 73 5.711 11.424 -6.521 563 HB2 GLU 73 1HB GLU 73 7.920 13.464 -6.821 564 HB3 GLU 73 2HB GLU 73 6.255 13.755 -7.325 565 HG2 GLU 73 1HG GLU 73 5.455 13.434 -5.071 566 HG3 GLU 73 2HG GLU 73 7.059 12.946 -4.519 567 H TYR 74 H TYR 74 7.002 9.434 -7.944 568 HA TYR 74 HA TYR 74 6.502 10.290 -10.691 569 HB2 TYR 74 1HB TYR 74 8.915 10.735 -10.382 570 HB3 TYR 74 2HB TYR 74 9.151 9.065 -9.860 571 HD1 TYR 74 HD1 TYR 74 8.967 7.208 -11.437 572 HD2 TYR 74 HD2 TYR 74 8.381 11.266 -12.721 573 HE1 TYR 74 HE1 TYR 74 9.128 6.482 -13.799 574 HE2 TYR 74 HE2 TYR 74 8.547 10.539 -15.085 575 HH TYR 74 HH TYR 74 9.442 7.241 -15.936 576 H ASN 75 H ASN 75 7.176 7.780 -8.341 577 HA ASN 75 HA ASN 75 6.945 5.484 -9.871 578 HB2 ASN 75 1HB ASN 75 7.486 5.709 -7.389 579 HB3 ASN 75 2HB ASN 75 5.761 5.780 -7.118 580 HD21 ASN 75 2HD2 ASN 75 5.473 3.829 -9.547 581 HD22 ASN 75 1HD2 ASN 75 5.821 2.318 -8.858 582 H LYS 76 H LYS 76 5.440 5.077 -11.338 583 HA LYS 76 HA LYS 76 2.832 6.186 -11.375 584 HB2 LYS 76 1HB LYS 76 3.890 3.746 -12.831 585 HB3 LYS 76 2HB LYS 76 2.449 4.667 -13.260 586 HG2 LYS 76 1HG LYS 76 5.254 5.828 -13.173 587 HG3 LYS 76 2HG LYS 76 4.463 5.257 -14.642 588 HD2 LYS 76 1HD LYS 76 2.556 6.912 -14.034 589 HD3 LYS 76 2HD LYS 76 3.707 7.622 -12.902 590 HE2 LYS 76 1HE LYS 76 4.143 7.300 -15.877 591 HE3 LYS 76 2HE LYS 76 3.764 8.807 -15.042 592 HZ1 LYS 76 3HZ LYS 76 6.004 8.966 -15.038 593 HZ2 LYS 76 1HZ LYS 76 6.251 7.290 -15.098 594 HZ3 LYS 76 2HZ LYS 76 5.847 8.034 -13.626 595 H ASP 77 H ASP 77 4.113 3.098 -10.261 596 HA ASP 77 HA ASP 77 1.670 1.776 -9.850 597 HB2 ASP 77 1HB ASP 77 4.224 1.503 -8.247 598 HB3 ASP 77 2HB ASP 77 2.925 0.318 -8.359 599 H VAL 78 H VAL 78 3.537 3.940 -7.761 600 HA VAL 78 HA VAL 78 1.902 3.653 -5.450 601 HB VAL 78 HB VAL 78 3.693 5.926 -6.305 602 HG11 VAL 78 1HG1 VAL 78 2.180 6.830 -4.690 603 HG12 VAL 78 2HG1 VAL 78 3.675 6.470 -3.830 604 HG13 VAL 78 3HG1 VAL 78 2.296 5.383 -3.694 605 HG21 VAL 78 3HG2 VAL 78 4.707 3.595 -5.878 606 HG22 VAL 78 1HG2 VAL 78 4.212 3.797 -4.197 607 HG23 VAL 78 2HG2 VAL 78 5.372 4.912 -4.919 608 H TRP 79 H TRP 79 1.893 6.060 -8.075 609 HA TRP 79 HA TRP 79 -0.266 7.580 -7.045 610 HB2 TRP 79 1HB TRP 79 0.922 7.284 -9.814 611 HB3 TRP 79 2HB TRP 79 -0.457 8.339 -9.510 612 HD1 TRP 79 HD1 TRP 79 3.179 8.455 -9.612 613 HE1 TRP 79 HE1 TRP 79 4.088 10.518 -8.364 614 HE3 TRP 79 HE3 TRP 79 -1.010 9.846 -7.055 615 HZ2 TRP 79 HZ2 TRP 79 3.153 12.503 -6.520 616 HZ3 TRP 79 HZ3 TRP 79 -0.974 11.816 -5.556 617 HH2 TRP 79 HH2 TRP 79 1.097 13.152 -5.292 618 H ALA 80 H ALA 80 -0.156 4.953 -9.464 619 HA ALA 80 HA ALA 80 -2.901 4.922 -10.060 620 HB1 ALA 80 3HB ALA 80 -2.487 2.683 -10.940 621 HB2 ALA 80 1HB ALA 80 -0.962 2.595 -10.058 622 HB3 ALA 80 2HB ALA 80 -1.152 3.749 -11.377 623 H ALA 81 H ALA 81 -1.027 3.077 -7.661 624 HA ALA 81 HA ALA 81 -3.152 1.535 -6.658 625 HB1 ALA 81 3HB ALA 81 -1.746 1.206 -4.678 626 HB2 ALA 81 1HB ALA 81 -0.719 2.552 -5.171 627 HB3 ALA 81 2HB ALA 81 -0.777 1.084 -6.147 628 H LYS 82 H LYS 82 -1.907 4.701 -5.635 629 HA LYS 82 HA LYS 82 -3.610 5.060 -3.417 630 HB2 LYS 82 1HB LYS 82 -1.565 6.419 -3.956 631 HB3 LYS 82 2HB LYS 82 -2.493 7.227 -5.219 632 HG2 LYS 82 1HG LYS 82 -4.157 7.929 -3.482 633 HG3 LYS 82 2HG LYS 82 -3.125 7.208 -2.248 634 HD2 LYS 82 1HD LYS 82 -1.273 8.717 -2.948 635 HD3 LYS 82 2HD LYS 82 -2.355 9.451 -4.123 636 HE2 LYS 82 1HE LYS 82 -2.567 10.941 -2.329 637 HE3 LYS 82 2HE LYS 82 -3.915 9.848 -2.029 638 HZ1 LYS 82 3HZ LYS 82 -2.387 10.336 -0.100 639 HZ2 LYS 82 1HZ LYS 82 -1.226 9.380 -0.885 640 HZ3 LYS 82 2HZ LYS 82 -2.708 8.696 -0.409 641 H ALA 83 H ALA 83 -4.050 5.710 -6.861 642 HA ALA 83 HA ALA 83 -6.358 7.276 -6.786 643 HB1 ALA 83 3HB ALA 83 -5.840 5.092 -8.818 644 HB2 ALA 83 1HB ALA 83 -4.995 6.640 -8.831 645 HB3 ALA 83 2HB ALA 83 -6.744 6.590 -9.049 646 H ASP 84 H ASP 84 -6.074 3.726 -6.841 647 HA ASP 84 HA ASP 84 -8.774 3.063 -6.882 648 HB2 ASP 84 1HB ASP 84 -6.812 1.468 -7.014 649 HB3 ASP 84 2HB ASP 84 -6.674 1.601 -5.263 650 H ALA 85 H ALA 85 -6.713 3.888 -4.104 651 HA ALA 85 HA ALA 85 -8.672 3.425 -2.116 652 HB1 ALA 85 3HB ALA 85 -6.372 5.379 -1.977 653 HB2 ALA 85 1HB ALA 85 -6.195 3.643 -1.720 654 HB3 ALA 85 2HB ALA 85 -7.190 4.601 -0.620 655 H LEU 86 H LEU 86 -7.821 6.246 -4.041 656 HA LEU 86 HA LEU 86 -9.576 8.048 -2.646 657 HB2 LEU 86 1HB LEU 86 -8.255 8.232 -5.366 658 HB3 LEU 86 2HB LEU 86 -9.090 9.558 -4.564 659 HG LEU 86 HG LEU 86 -6.748 8.070 -3.327 660 HD11 LEU 86 1HD1 LEU 86 -5.411 10.084 -3.973 661 HD12 LEU 86 2HD1 LEU 86 -6.785 10.646 -4.926 662 HD13 LEU 86 3HD1 LEU 86 -5.968 9.145 -5.358 663 HD21 LEU 86 3HD2 LEU 86 -8.322 10.551 -2.582 664 HD22 LEU 86 1HD2 LEU 86 -6.651 10.362 -2.045 665 HD23 LEU 86 2HD2 LEU 86 -7.865 9.183 -1.566 666 H ARG 87 H ARG 87 -9.929 5.728 -5.190 667 HA ARG 87 HA ARG 87 -12.234 6.813 -6.441 668 HB2 ARG 87 1HB ARG 87 -10.768 5.065 -7.434 669 HB3 ARG 87 2HB ARG 87 -11.406 3.917 -6.254 670 HG2 ARG 87 1HG ARG 87 -13.649 4.158 -7.130 671 HG3 ARG 87 2HG ARG 87 -13.147 5.479 -8.188 672 HD2 ARG 87 1HD ARG 87 -13.267 3.500 -9.540 673 HD3 ARG 87 2HD ARG 87 -11.562 3.853 -9.304 674 HE ARG 87 HE ARG 87 -12.462 2.080 -7.278 675 HH11 ARG 87 1HH2 ARG 87 -11.748 2.267 -10.657 676 HH12 ARG 87 2HH2 ARG 87 -11.310 0.597 -10.799 677 HH21 ARG 87 1HH1 ARG 87 -11.895 -0.111 -7.454 678 HH22 ARG 87 2HH1 ARG 87 -11.394 -0.750 -8.985 679 H TYR 88 H TYR 88 -11.743 5.230 -3.481 680 HA TYR 88 HA TYR 88 -14.680 5.100 -3.040 681 HB2 TYR 88 1HB TYR 88 -13.325 2.829 -3.365 682 HB3 TYR 88 2HB TYR 88 -12.873 3.090 -1.685 683 HD1 TYR 88 HD1 TYR 88 -15.664 2.449 -4.016 684 HD2 TYR 88 HD2 TYR 88 -14.559 3.053 0.091 685 HE1 TYR 88 HE1 TYR 88 -17.892 1.630 -3.294 686 HE2 TYR 88 HE2 TYR 88 -16.778 2.234 0.812 687 HH TYR 88 HH TYR 88 -18.589 0.562 -0.373 688 H ILE 89 H ILE 89 -13.646 7.341 -2.308 689 HA ILE 89 HA ILE 89 -13.238 7.149 0.630 690 HB ILE 89 HB ILE 89 -11.152 7.831 -0.719 691 HG12 ILE 89 1HG1 ILE 89 -12.143 9.971 1.195 692 HG13 ILE 89 2HG1 ILE 89 -11.651 8.375 1.756 693 HG21 ILE 89 1HG2 ILE 89 -12.604 10.474 -1.015 694 HG22 ILE 89 2HG2 ILE 89 -12.532 9.284 -2.312 695 HG23 ILE 89 3HG2 ILE 89 -11.046 10.005 -1.694 696 HD11 ILE 89 3HD1 ILE 89 -9.825 10.083 1.861 697 HD12 ILE 89 1HD1 ILE 89 -9.883 10.183 0.100 698 HD13 ILE 89 2HD1 ILE 89 -9.428 8.669 0.885 699 H GLU 90 H GLU 90 -14.510 8.420 1.851 700 HA GLU 90 HA GLU 90 -16.263 9.783 2.412 701 HB2 GLU 90 1HB GLU 90 -14.601 11.498 1.710 702 HB3 GLU 90 2HB GLU 90 -15.266 11.444 0.080 703 HG2 GLU 90 1HG GLU 90 -17.475 12.127 0.954 704 HG3 GLU 90 2HG GLU 90 -16.815 12.164 2.588 705 H GLY 91 H GLY 91 -16.418 10.603 -1.023 706 HA2 GLY 91 1HA GLY 91 -18.394 8.757 -1.815 707 HA3 GLY 91 2HA GLY 91 -19.194 10.217 -1.237 708 H LYS 92 H LYS 92 -18.349 8.787 -3.977 709 HA LYS 92 HA LYS 92 -17.754 9.443 -6.103 710 HB2 LYS 92 1HB LYS 92 -19.266 11.870 -5.135 711 HB3 LYS 92 2HB LYS 92 -18.855 11.569 -6.824 712 HG2 LYS 92 1HG LYS 92 -20.076 9.350 -6.617 713 HG3 LYS 92 2HG LYS 92 -20.650 9.889 -5.041 714 HD2 LYS 92 1HD LYS 92 -21.153 11.270 -7.706 715 HD3 LYS 92 2HD LYS 92 -22.339 10.371 -6.756 716 HE2 LYS 92 1HE LYS 92 -21.037 13.020 -6.099 717 HE3 LYS 92 2HE LYS 92 -22.753 12.635 -6.186 718 HZ1 LYS 92 3HZ LYS 92 -22.303 12.655 -3.923 719 HZ2 LYS 92 1HZ LYS 92 -20.804 11.880 -4.101 720 HZ3 LYS 92 2HZ LYS 92 -22.244 11.002 -4.311 721 H GLU 93 H GLU 93 -17.698 12.792 -5.452 722 HA GLU 93 HA GLU 93 -16.044 14.369 -5.372 723 HB2 GLU 93 1HB GLU 93 -15.293 12.794 -3.421 724 HB3 GLU 93 2HB GLU 93 -14.055 12.240 -4.543 725 HG2 GLU 93 1HG GLU 93 -13.041 14.025 -3.327 726 HG3 GLU 93 2HG GLU 93 -13.463 14.701 -4.896 727 H VAL 94 H VAL 94 -14.669 15.242 -6.848 728 HA VAL 94 HA VAL 94 -14.097 13.649 -9.216 729 HB VAL 94 HB VAL 94 -13.351 15.788 -10.176 730 HG11 VAL 94 1HG1 VAL 94 -15.526 16.920 -10.098 731 HG12 VAL 94 2HG1 VAL 94 -15.958 16.025 -8.640 732 HG13 VAL 94 3HG1 VAL 94 -15.760 15.172 -10.172 733 HG21 VAL 94 3HG2 VAL 94 -13.890 16.814 -7.373 734 HG22 VAL 94 1HG2 VAL 94 -13.669 17.857 -8.778 735 HG23 VAL 94 2HG2 VAL 94 -12.347 16.829 -8.229 736 H GLU 95 H GLU 95 -12.549 14.146 -6.322 737 HA GLU 95 HA GLU 95 -9.878 14.659 -7.029 738 HB2 GLU 95 1HB GLU 95 -11.124 13.120 -4.738 739 HB3 GLU 95 2HB GLU 95 -9.376 13.298 -4.880 740 HG2 GLU 95 1HG GLU 95 -9.566 15.723 -4.826 741 HG3 GLU 95 2HG GLU 95 -11.320 15.629 -4.836 742 H ALA 96 H ALA 96 -11.575 11.535 -6.695 743 HA ALA 96 HA ALA 96 -9.426 9.856 -7.277 744 HB1 ALA 96 3HB ALA 96 -11.112 8.206 -7.935 745 HB2 ALA 96 1HB ALA 96 -12.332 9.476 -8.032 746 HB3 ALA 96 2HB ALA 96 -11.616 9.066 -6.475 747 H GLU 97 H GLU 97 -11.346 11.868 -9.386 748 HA GLU 97 HA GLU 97 -10.709 10.570 -11.838 749 HB2 GLU 97 1HB GLU 97 -12.578 12.230 -11.492 750 HB3 GLU 97 2HB GLU 97 -11.355 13.495 -11.446 751 HG2 GLU 97 1HG GLU 97 -10.612 12.921 -13.698 752 HG3 GLU 97 2HG GLU 97 -11.780 11.601 -13.761 753 H ILE 98 H ILE 98 -9.274 13.352 -10.147 754 HA ILE 98 HA ILE 98 -7.292 13.926 -12.074 755 HB ILE 98 HB ILE 98 -7.568 14.472 -9.111 756 HG12 ILE 98 1HG1 ILE 98 -7.543 16.847 -9.957 757 HG13 ILE 98 2HG1 ILE 98 -7.483 16.217 -11.599 758 HG21 ILE 98 1HG2 ILE 98 -5.129 14.984 -10.830 759 HG22 ILE 98 2HG2 ILE 98 -5.203 14.239 -9.231 760 HG23 ILE 98 3HG2 ILE 98 -5.482 15.971 -9.409 761 HD11 ILE 98 3HD1 ILE 98 -9.632 15.169 -11.360 762 HD12 ILE 98 1HD1 ILE 98 -9.798 16.813 -10.749 763 HD13 ILE 98 2HD1 ILE 98 -9.641 15.473 -9.624 764 H ALA 99 H ALA 99 -7.214 11.808 -9.198 765 HA ALA 99 HA ALA 99 -4.494 11.083 -9.504 766 HB1 ALA 99 3HB ALA 99 -5.594 10.766 -7.384 767 HB2 ALA 99 1HB ALA 99 -5.129 9.179 -7.995 768 HB3 ALA 99 2HB ALA 99 -6.805 9.713 -8.115 769 H GLU 100 H GLU 100 -7.520 9.499 -10.483 770 HA GLU 100 HA GLU 100 -6.374 7.211 -11.622 771 HB2 GLU 100 1HB GLU 100 -8.835 7.629 -11.165 772 HB3 GLU 100 2HB GLU 100 -8.866 8.602 -12.633 773 HG2 GLU 100 1HG GLU 100 -9.565 6.400 -13.276 774 HG3 GLU 100 2HG GLU 100 -7.914 6.573 -13.856 775 H ALA 101 H ALA 101 -7.197 10.346 -13.106 776 HA ALA 101 HA ALA 101 -6.254 9.611 -15.707 777 HB1 ALA 101 3HB ALA 101 -7.916 11.384 -15.412 778 HB2 ALA 101 1HB ALA 101 -6.478 12.013 -16.216 779 HB3 ALA 101 2HB ALA 101 -6.748 12.345 -14.504 780 H ARG 102 H ARG 102 -4.871 11.412 -12.992 781 HA ARG 102 HA ARG 102 -2.472 12.200 -14.270 782 HB2 ARG 102 1HB ARG 102 -3.228 13.248 -12.186 783 HB3 ARG 102 2HB ARG 102 -3.014 11.723 -11.324 784 HG2 ARG 102 1HG ARG 102 -0.622 11.778 -11.674 785 HG3 ARG 102 2HG ARG 102 -0.763 13.146 -12.779 786 HD2 ARG 102 1HD ARG 102 -0.030 13.959 -10.604 787 HD3 ARG 102 2HD ARG 102 -1.671 14.520 -10.900 788 HE ARG 102 HE ARG 102 -1.653 12.043 -9.462 789 HH11 ARG 102 1HH2 ARG 102 -1.171 15.460 -9.213 790 HH12 ARG 102 2HH2 ARG 102 -1.609 15.542 -7.539 791 HH21 ARG 102 1HH1 ARG 102 -2.228 12.142 -7.266 792 HH22 ARG 102 2HH1 ARG 102 -2.205 13.663 -6.437 793 H ALA 103 H ALA 103 -3.342 9.297 -12.440 794 HA ALA 103 HA ALA 103 -0.796 8.165 -12.194 795 HB1 ALA 103 3HB ALA 103 -1.973 6.027 -11.952 796 HB2 ALA 103 1HB ALA 103 -3.442 6.751 -12.607 797 HB3 ALA 103 2HB ALA 103 -2.805 7.299 -11.055 798 H LYS 104 H LYS 104 -3.214 7.736 -14.769 799 HA LYS 104 HA LYS 104 -1.612 6.016 -16.373 800 HB2 LYS 104 1HB LYS 104 -3.999 7.757 -17.028 801 HB3 LYS 104 2HB LYS 104 -3.269 6.629 -18.174 802 HG2 LYS 104 1HG LYS 104 -3.679 4.765 -16.592 803 HG3 LYS 104 2HG LYS 104 -4.427 5.896 -15.463 804 HD2 LYS 104 1HD LYS 104 -6.167 6.430 -17.115 805 HD3 LYS 104 2HD LYS 104 -5.406 5.351 -18.286 806 HE2 LYS 104 1HE LYS 104 -7.273 4.199 -17.189 807 HE3 LYS 104 2HE LYS 104 -5.746 3.449 -16.717 808 HZ1 LYS 104 3HZ LYS 104 -5.777 4.611 -14.661 809 HZ2 LYS 104 1HZ LYS 104 -7.298 3.884 -14.848 810 HZ3 LYS 104 2HZ LYS 104 -7.113 5.548 -15.130 811 H LEU 105 H LEU 105 -2.230 9.501 -16.431 812 HA LEU 105 HA LEU 105 -1.217 11.209 -17.580 813 HB2 LEU 105 1HB LEU 105 0.591 10.651 -16.027 814 HB3 LEU 105 2HB LEU 105 1.177 9.398 -17.121 815 HG LEU 105 HG LEU 105 1.688 11.124 -18.828 816 HD11 LEU 105 1HD1 LEU 105 1.613 13.578 -17.872 817 HD12 LEU 105 2HD1 LEU 105 0.390 12.927 -16.780 818 HD13 LEU 105 3HD1 LEU 105 0.145 12.862 -18.527 819 HD21 LEU 105 3HD2 LEU 105 3.471 10.559 -17.276 820 HD22 LEU 105 1HD2 LEU 105 2.832 11.683 -16.073 821 HD23 LEU 105 2HD2 LEU 105 3.509 12.297 -17.581 822 H GLU 106 H GLU 106 -2.134 11.150 -19.594 823 HA GLU 106 HA GLU 106 -1.565 9.251 -21.617 824 HB2 GLU 106 1HB GLU 106 -2.628 10.952 -23.135 825 HB3 GLU 106 2HB GLU 106 -3.597 10.546 -21.718 826 HG2 GLU 106 1HG GLU 106 -2.782 12.559 -20.563 827 HG3 GLU 106 2HG GLU 106 -1.775 12.962 -21.951 828 H HIS 107 H HIS 107 -0.222 9.364 -23.416 829 HA HIS 107 HA HIS 107 2.310 10.526 -23.088 830 HB2 HIS 107 1HB HIS 107 2.739 9.857 -25.396 831 HB3 HIS 107 2HB HIS 107 1.854 8.583 -24.560 832 HD1 HIS 107 HD1 HIS 107 -0.818 8.559 -25.011 833 HD2 HIS 107 HD2 HIS 107 1.465 10.795 -27.689 834 HE1 HIS 107 HE1 HIS 107 -2.276 8.948 -27.043 835 HE2 HIS 107 HE2 HIS 107 -0.900 10.310 -28.686 836 H HIS 108 H HIS 108 3.334 12.232 -24.267 837 HA HIS 108 HA HIS 108 1.716 14.146 -25.737 838 HB2 HIS 108 1HB HIS 108 2.221 16.019 -24.211 839 HB3 HIS 108 2HB HIS 108 1.224 14.798 -23.421 840 HD1 HIS 108 HD1 HIS 108 4.298 13.166 -23.515 841 HD2 HIS 108 HD2 HIS 108 2.922 16.397 -21.269 842 HE1 HIS 108 HE1 HIS 108 5.806 13.322 -21.485 843 HE2 HIS 108 HE2 HIS 108 4.980 15.288 -20.106 844 H HIS 109 H HIS 109 3.336 16.287 -25.774 845 HA HIS 109 HA HIS 109 5.192 17.106 -26.849 846 HB2 HIS 109 1HB HIS 109 6.469 14.936 -25.163 847 HB3 HIS 109 2HB HIS 109 7.379 16.154 -26.055 848 HD1 HIS 109 HD1 HIS 109 6.026 15.577 -22.805 849 HD2 HIS 109 HD2 HIS 109 6.320 18.929 -25.267 850 HE1 HIS 109 HE1 HIS 109 5.737 17.596 -21.303 851 HE2 HIS 109 HE2 HIS 109 5.914 19.647 -22.791 852 H HIS 110 H HIS 110 7.203 14.432 -26.927 853 HA HIS 110 HA HIS 110 6.735 14.079 -29.803 854 HB2 HIS 110 1HB HIS 110 8.862 12.826 -29.725 855 HB3 HIS 110 2HB HIS 110 9.027 14.449 -29.058 856 HD1 HIS 110 HD1 HIS 110 9.307 14.664 -26.473 857 HD2 HIS 110 HD2 HIS 110 9.162 10.729 -27.837 858 HE1 HIS 110 HE1 HIS 110 10.075 13.209 -24.546 859 HE2 HIS 110 HE2 HIS 110 9.993 10.806 -25.363 860 H HIS 111 H HIS 111 5.357 12.580 -30.425 861 HA HIS 111 HA HIS 111 4.674 10.313 -28.713 862 HB2 HIS 111 1HB HIS 111 3.002 9.815 -30.442 863 HB3 HIS 111 2HB HIS 111 2.896 11.497 -29.926 864 HD1 HIS 111 HD1 HIS 111 5.582 12.214 -31.665 865 HD2 HIS 111 HD2 HIS 111 2.022 10.545 -33.051 866 HE1 HIS 111 HE1 HIS 111 5.468 12.725 -34.144 867 HE2 HIS 111 HE2 HIS 111 3.303 11.714 -35.003 868 H HIS 112 H HIS 112 4.705 8.115 -29.512 869 HA HIS 112 HA HIS 112 7.209 7.319 -30.491 870 HB2 HIS 112 1HB HIS 112 4.600 5.782 -30.512 871 HB3 HIS 112 2HB HIS 112 6.209 5.082 -30.692 872 HD1 HIS 112 HD1 HIS 112 7.896 5.938 -28.568 873 HD2 HIS 112 HD2 HIS 112 3.791 5.687 -27.882 874 HE1 HIS 112 HE1 HIS 112 7.596 5.814 -26.056 875 HE2 HIS 112 HE2 HIS 112 5.098 5.661 -25.621
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