NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
490069 | 2l3b | 17176 | cing | 1-original | 5 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 1H MET 1 13.624 -28.112 21.343 2 H2 MET 1 2H MET 1 13.364 -26.705 20.434 3 H3 MET 1 3H MET 1 12.170 -27.252 21.504 4 HA MET 1 HA MET 1 13.619 -26.842 23.383 5 HB2 MET 1 1HB MET 1 15.473 -25.729 21.265 6 HB3 MET 1 2HB MET 1 15.695 -25.526 22.997 7 HG2 MET 1 1HG MET 1 15.983 -27.907 23.274 8 HG3 MET 1 2HG MET 1 15.652 -28.170 21.563 9 HE1 MET 1 3HE MET 1 19.492 -28.976 21.909 10 HE2 MET 1 1HE MET 1 17.902 -29.615 21.492 11 HE3 MET 1 2HE MET 1 18.288 -29.238 23.171 12 H ASN 2 H ASN 2 13.430 -24.748 20.518 13 HA ASN 2 HA ASN 2 11.643 -22.975 21.953 14 HB2 ASN 2 1HB ASN 2 12.954 -20.942 21.424 15 HB3 ASN 2 2HB ASN 2 13.824 -22.016 22.512 16 HD21 ASN 2 2HD2 ASN 2 13.910 -20.322 19.583 17 HD22 ASN 2 1HD2 ASN 2 15.400 -20.966 18.975 18 H ASP 3 H ASP 3 13.543 -23.361 18.972 19 HA ASP 3 HA ASP 3 12.928 -23.680 16.819 20 HB2 ASP 3 1HB ASP 3 10.172 -24.042 18.000 21 HB3 ASP 3 2HB ASP 3 10.594 -24.376 16.324 22 H ASP 4 H ASP 4 11.993 -21.058 18.556 23 HA ASP 4 HA ASP 4 11.339 -18.948 18.092 24 HB2 ASP 4 1HB ASP 4 12.214 -19.792 15.331 25 HB3 ASP 4 2HB ASP 4 11.650 -18.161 15.688 26 H VAL 5 H VAL 5 9.432 -21.217 17.923 27 HA VAL 5 HA VAL 5 7.365 -19.902 16.303 28 HB VAL 5 HB VAL 5 7.640 -22.177 15.585 29 HG11 VAL 5 1HG1 VAL 5 7.367 -24.097 17.062 30 HG12 VAL 5 2HG1 VAL 5 7.202 -23.017 18.447 31 HG13 VAL 5 3HG1 VAL 5 8.727 -23.092 17.562 32 HG21 VAL 5 3HG2 VAL 5 5.174 -21.956 17.304 33 HG22 VAL 5 1HG2 VAL 5 5.398 -23.069 15.955 34 HG23 VAL 5 2HG2 VAL 5 5.352 -21.329 15.666 35 H ASP 6 H ASP 6 6.399 -18.461 17.549 36 HA ASP 6 HA ASP 6 5.999 -18.892 20.363 37 HB2 ASP 6 1HB ASP 6 5.149 -16.685 18.486 38 HB3 ASP 6 2HB ASP 6 4.702 -16.713 20.189 39 H ILE 7 H ILE 7 4.371 -19.948 21.239 40 HA ILE 7 HA ILE 7 2.259 -20.974 19.603 41 HB ILE 7 HB ILE 7 2.587 -21.183 22.601 42 HG12 ILE 7 1HG1 ILE 7 3.414 -23.115 20.421 43 HG13 ILE 7 2HG1 ILE 7 4.519 -22.095 21.338 44 HG21 ILE 7 1HG2 ILE 7 0.931 -22.815 20.674 45 HG22 ILE 7 2HG2 ILE 7 0.309 -21.647 21.839 46 HG23 ILE 7 3HG2 ILE 7 1.099 -23.121 22.403 47 HD11 ILE 7 3HD1 ILE 7 3.886 -23.259 23.387 48 HD12 ILE 7 1HD1 ILE 7 4.518 -24.375 22.174 49 HD13 ILE 7 2HD1 ILE 7 2.780 -24.279 22.466 50 H GLN 8 H GLN 8 0.940 -19.371 18.928 51 HA GLN 8 HA GLN 8 -0.943 -18.428 20.933 52 HB2 GLN 8 1HB GLN 8 -1.023 -16.165 19.924 53 HB3 GLN 8 2HB GLN 8 0.515 -16.509 20.701 54 HG2 GLN 8 1HG GLN 8 1.594 -16.818 18.604 55 HG3 GLN 8 2HG GLN 8 0.057 -16.777 17.740 56 HE21 GLN 8 2HE2 GLN 8 2.473 -14.895 19.398 57 HE22 GLN 8 1HE2 GLN 8 1.935 -13.350 18.831 58 H GLN 9 H GLN 9 -2.889 -19.009 20.291 59 HA GLN 9 HA GLN 9 -3.277 -19.592 17.446 60 HB2 GLN 9 1HB GLN 9 -5.058 -20.399 19.747 61 HB3 GLN 9 2HB GLN 9 -5.114 -21.005 18.098 62 HG2 GLN 9 1HG GLN 9 -2.837 -21.416 20.024 63 HG3 GLN 9 2HG GLN 9 -4.093 -22.597 19.667 64 HE21 GLN 9 2HE2 GLN 9 -2.554 -24.083 18.966 65 HE22 GLN 9 1HE2 GLN 9 -1.747 -23.923 17.437 66 H SER 10 H SER 10 -3.559 -17.459 16.804 67 HA SER 10 HA SER 10 -6.062 -16.196 17.698 68 HB2 SER 10 1HB SER 10 -4.917 -14.029 17.036 69 HB3 SER 10 2HB SER 10 -4.230 -14.835 18.448 70 HG SER 10 HG SER 10 -2.438 -14.596 17.337 71 H TYR 11 H TYR 11 -6.938 -14.667 15.968 72 HA TYR 11 HA TYR 11 -6.987 -16.106 13.444 73 HB2 TYR 11 1HB TYR 11 -8.644 -13.824 14.526 74 HB3 TYR 11 2HB TYR 11 -8.813 -14.433 12.885 75 HD1 TYR 11 HD1 TYR 11 -9.395 -15.146 16.436 76 HD2 TYR 11 HD2 TYR 11 -9.823 -16.590 12.458 77 HE1 TYR 11 HE1 TYR 11 -10.970 -16.860 17.234 78 HE2 TYR 11 HE2 TYR 11 -11.396 -18.307 13.240 79 HH TYR 11 HH TYR 11 -11.912 -19.516 15.350 80 HA PRO 12 HA PRO 12 -3.927 -13.216 11.800 81 HB2 PRO 12 1HB PRO 12 -4.440 -14.804 9.361 82 HB3 PRO 12 2HB PRO 12 -2.914 -14.480 10.188 83 HG2 PRO 12 1HG PRO 12 -4.066 -16.897 10.280 84 HG3 PRO 12 2HG PRO 12 -3.194 -16.230 11.674 85 HD2 PRO 12 1HD PRO 12 -6.143 -16.402 11.185 86 HD3 PRO 12 2HD PRO 12 -5.232 -16.664 12.687 87 H PHE 13 H PHE 13 -4.530 -11.255 11.105 88 HA PHE 13 HA PHE 13 -7.157 -10.802 10.146 89 HB2 PHE 13 1HB PHE 13 -6.482 -8.445 9.919 90 HB3 PHE 13 2HB PHE 13 -6.031 -9.109 11.482 91 HD1 PHE 13 HD1 PHE 13 -3.697 -9.472 12.051 92 HD2 PHE 13 HD2 PHE 13 -4.816 -7.786 8.311 93 HE1 PHE 13 HE1 PHE 13 -1.386 -8.705 11.709 94 HE2 PHE 13 HE2 PHE 13 -2.505 -7.020 7.960 95 HZ PHE 13 HZ PHE 13 -0.785 -7.478 9.661 96 H SER 14 H SER 14 -7.943 -10.421 8.169 97 HA SER 14 HA SER 14 -6.104 -10.775 5.908 98 HB2 SER 14 1HB SER 14 -7.896 -12.451 6.044 99 HB3 SER 14 2HB SER 14 -9.107 -11.170 6.054 100 HG SER 14 HG SER 14 -7.234 -11.614 3.960 101 H ILE 15 H ILE 15 -5.881 -9.189 4.432 102 HA ILE 15 HA ILE 15 -7.527 -6.775 4.811 103 HB ILE 15 HB ILE 15 -4.785 -6.986 3.549 104 HG12 ILE 15 1HG1 ILE 15 -5.643 -5.855 6.226 105 HG13 ILE 15 2HG1 ILE 15 -4.726 -7.338 5.982 106 HG21 ILE 15 1HG2 ILE 15 -4.829 -4.537 3.547 107 HG22 ILE 15 2HG2 ILE 15 -6.472 -4.563 4.185 108 HG23 ILE 15 3HG2 ILE 15 -6.142 -5.201 2.576 109 HD11 ILE 15 3HD1 ILE 15 -3.283 -5.527 6.681 110 HD12 ILE 15 1HD1 ILE 15 -3.810 -4.552 5.310 111 HD13 ILE 15 2HD1 ILE 15 -2.887 -6.029 5.037 112 H GLU 16 H GLU 16 -9.067 -6.607 3.365 113 HA GLU 16 HA GLU 16 -8.878 -8.001 0.827 114 HB2 GLU 16 1HB GLU 16 -10.936 -7.984 2.311 115 HB3 GLU 16 2HB GLU 16 -11.142 -6.295 1.881 116 HG2 GLU 16 1HG GLU 16 -10.949 -8.337 -0.280 117 HG3 GLU 16 2HG GLU 16 -12.452 -8.165 0.624 118 H THR 17 H THR 17 -7.806 -7.029 -0.744 119 HA THR 17 HA THR 17 -8.039 -4.107 -1.031 120 HB THR 17 HB THR 17 -5.960 -4.222 -2.368 121 HG1 THR 17 HG1 THR 17 -6.213 -6.988 -1.794 122 HG21 THR 17 3HG2 THR 17 -4.406 -4.734 -0.514 123 HG22 THR 17 1HG2 THR 17 -5.741 -5.467 0.377 124 HG23 THR 17 2HG2 THR 17 -5.769 -3.743 0.008 125 H MET 18 H MET 18 -8.757 -3.249 -2.956 126 HA MET 18 HA MET 18 -10.202 -4.983 -4.706 127 HB2 MET 18 1HB MET 18 -10.715 -2.998 -6.018 128 HB3 MET 18 2HB MET 18 -10.954 -2.677 -4.308 129 HG2 MET 18 1HG MET 18 -9.210 -1.217 -4.193 130 HG3 MET 18 2HG MET 18 -8.338 -1.976 -5.526 131 HE1 MET 18 3HE MET 18 -11.334 0.333 -4.510 132 HE2 MET 18 1HE MET 18 -12.144 -0.876 -5.506 133 HE3 MET 18 2HE MET 18 -12.001 0.785 -6.079 134 HA PRO 19 HA PRO 19 -7.102 -6.197 -7.605 135 HB2 PRO 19 1HB PRO 19 -9.162 -5.681 -9.686 136 HB3 PRO 19 2HB PRO 19 -8.238 -7.151 -9.358 137 HG2 PRO 19 1HG PRO 19 -10.810 -6.979 -8.690 138 HG3 PRO 19 2HG PRO 19 -9.647 -7.810 -7.639 139 HD2 PRO 19 1HD PRO 19 -10.863 -5.095 -7.353 140 HD3 PRO 19 2HD PRO 19 -10.496 -6.303 -6.104 141 H VAL 20 H VAL 20 -5.539 -4.766 -7.906 142 HA VAL 20 HA VAL 20 -6.044 -2.078 -8.768 143 HB VAL 20 HB VAL 20 -3.566 -1.829 -8.637 144 HG11 VAL 20 1HG1 VAL 20 -4.955 -1.383 -6.694 145 HG12 VAL 20 2HG1 VAL 20 -3.424 -2.105 -6.201 146 HG13 VAL 20 3HG1 VAL 20 -4.892 -3.084 -6.235 147 HG21 VAL 20 3HG2 VAL 20 -2.257 -3.678 -7.666 148 HG22 VAL 20 1HG2 VAL 20 -2.902 -4.077 -9.258 149 HG23 VAL 20 2HG2 VAL 20 -3.665 -4.729 -7.808 150 HA PRO 21 HA PRO 21 -5.377 -2.284 -13.135 151 HB2 PRO 21 1HB PRO 21 -3.228 -0.261 -12.827 152 HB3 PRO 21 2HB PRO 21 -4.679 -0.217 -13.832 153 HG2 PRO 21 1HG PRO 21 -4.491 1.242 -11.599 154 HG3 PRO 21 2HG PRO 21 -6.023 0.498 -12.098 155 HD2 PRO 21 1HD PRO 21 -4.118 -0.329 -9.957 156 HD3 PRO 21 2HD PRO 21 -5.890 -0.431 -9.995 157 H LYS 22 H LYS 22 -4.207 -3.566 -14.414 158 HA LYS 22 HA LYS 22 -1.817 -4.760 -13.261 159 HB2 LYS 22 1HB LYS 22 -3.445 -5.577 -15.677 160 HB3 LYS 22 2HB LYS 22 -2.143 -6.512 -14.946 161 HG2 LYS 22 1HG LYS 22 -3.414 -6.741 -12.898 162 HG3 LYS 22 2HG LYS 22 -4.700 -5.733 -13.559 163 HD2 LYS 22 1HD LYS 22 -5.363 -8.030 -13.719 164 HD3 LYS 22 2HD LYS 22 -5.037 -7.424 -15.343 165 HE2 LYS 22 1HE LYS 22 -2.934 -8.545 -15.415 166 HE3 LYS 22 2HE LYS 22 -3.030 -8.957 -13.702 167 HZ1 LYS 22 3HZ LYS 22 -3.584 -10.829 -15.172 168 HZ2 LYS 22 1HZ LYS 22 -4.901 -9.955 -15.789 169 HZ3 LYS 22 2HZ LYS 22 -4.874 -10.408 -14.157 170 H LYS 23 H LYS 23 -2.713 -2.498 -15.629 171 HA LYS 23 HA LYS 23 0.120 -2.297 -16.395 172 HB2 LYS 23 1HB LYS 23 -2.305 -1.924 -18.156 173 HB3 LYS 23 2HB LYS 23 -0.725 -1.281 -18.578 174 HG2 LYS 23 1HG LYS 23 0.194 -3.560 -18.541 175 HG3 LYS 23 2HG LYS 23 -1.415 -4.185 -18.167 176 HD2 LYS 23 1HD LYS 23 -2.271 -3.373 -20.265 177 HD3 LYS 23 2HD LYS 23 -0.748 -2.563 -20.622 178 HE2 LYS 23 1HE LYS 23 -1.129 -5.543 -20.347 179 HE3 LYS 23 2HE LYS 23 -0.988 -4.666 -21.869 180 HZ1 LYS 23 3HZ LYS 23 1.082 -5.127 -19.811 181 HZ2 LYS 23 1HZ LYS 23 1.233 -3.872 -20.944 182 HZ3 LYS 23 2HZ LYS 23 1.137 -5.478 -21.471 183 H LEU 24 H LEU 24 1.003 -0.325 -16.101 184 HA LEU 24 HA LEU 24 -0.798 1.929 -15.545 185 HB2 LEU 24 1HB LEU 24 1.588 1.056 -13.921 186 HB3 LEU 24 2HB LEU 24 0.886 2.655 -13.796 187 HG LEU 24 HG LEU 24 -0.501 0.059 -13.132 188 HD11 LEU 24 1HD1 LEU 24 1.196 0.674 -11.510 189 HD12 LEU 24 2HD1 LEU 24 -0.417 0.911 -10.837 190 HD13 LEU 24 3HD1 LEU 24 0.519 2.299 -11.393 191 HD21 LEU 24 3HD2 LEU 24 -2.303 1.480 -12.293 192 HD22 LEU 24 1HD2 LEU 24 -2.063 1.703 -14.025 193 HD23 LEU 24 2HD2 LEU 24 -1.457 2.909 -12.889 194 H LYS 25 H LYS 25 0.071 3.994 -15.987 195 HA LYS 25 HA LYS 25 2.425 3.959 -17.762 196 HB2 LYS 25 1HB LYS 25 0.205 6.012 -17.749 197 HB3 LYS 25 2HB LYS 25 1.476 5.826 -18.947 198 HG2 LYS 25 1HG LYS 25 0.501 3.647 -19.585 199 HG3 LYS 25 2HG LYS 25 -0.813 3.936 -18.444 200 HD2 LYS 25 1HD LYS 25 -1.310 6.051 -19.687 201 HD3 LYS 25 2HD LYS 25 -0.128 5.549 -20.896 202 HE2 LYS 25 1HE LYS 25 -2.327 4.942 -21.650 203 HE3 LYS 25 2HE LYS 25 -1.432 3.478 -21.247 204 HZ1 LYS 25 3HZ LYS 25 -3.733 3.448 -20.419 205 HZ2 LYS 25 1HZ LYS 25 -3.404 4.808 -19.461 206 HZ3 LYS 25 2HZ LYS 25 -2.605 3.346 -19.158 207 H VAL 26 H VAL 26 3.552 6.174 -17.802 208 HA VAL 26 HA VAL 26 4.239 6.952 -15.145 209 HB VAL 26 HB VAL 26 4.863 8.341 -17.761 210 HG11 VAL 26 1HG1 VAL 26 5.084 9.875 -15.901 211 HG12 VAL 26 2HG1 VAL 26 6.681 9.423 -16.496 212 HG13 VAL 26 3HG1 VAL 26 6.056 8.702 -15.012 213 HG21 VAL 26 3HG2 VAL 26 6.512 6.424 -16.118 214 HG22 VAL 26 1HG2 VAL 26 7.047 7.260 -17.575 215 HG23 VAL 26 2HG2 VAL 26 5.747 6.070 -17.667 216 H GLY 27 H GLY 27 3.027 8.145 -13.865 217 HA2 GLY 27 1HA GLY 27 1.991 10.253 -13.353 218 HA3 GLY 27 2HA GLY 27 1.472 10.364 -15.030 219 H GLU 28 H GLU 28 0.904 7.293 -14.518 220 HA GLU 28 HA GLU 28 -1.899 7.692 -14.023 221 HB2 GLU 28 1HB GLU 28 -1.046 5.990 -15.632 222 HB3 GLU 28 2HB GLU 28 -0.351 5.100 -14.285 223 HG2 GLU 28 1HG GLU 28 -2.448 4.116 -14.998 224 HG3 GLU 28 2HG GLU 28 -2.570 4.745 -13.356 225 H THR 29 H THR 29 -3.081 6.982 -12.242 226 HA THR 29 HA THR 29 -1.451 6.346 -9.872 227 HB THR 29 HB THR 29 -3.890 8.135 -9.948 228 HG1 THR 29 HG1 THR 29 -1.623 8.825 -10.731 229 HG21 THR 29 3HG2 THR 29 -3.377 8.593 -7.601 230 HG22 THR 29 1HG2 THR 29 -2.029 7.451 -7.664 231 HG23 THR 29 2HG2 THR 29 -3.686 6.873 -7.844 232 H ALA 30 H ALA 30 -1.963 4.528 -8.906 233 HA ALA 30 HA ALA 30 -4.471 3.187 -9.573 234 HB1 ALA 30 3HB ALA 30 -3.470 1.213 -8.557 235 HB2 ALA 30 1HB ALA 30 -2.083 2.168 -8.030 236 HB3 ALA 30 2HB ALA 30 -2.378 1.915 -9.750 237 H GLU 31 H GLU 31 -6.157 3.252 -8.264 238 HA GLU 31 HA GLU 31 -5.884 4.351 -5.581 239 HB2 GLU 31 1HB GLU 31 -7.714 4.889 -7.407 240 HB3 GLU 31 2HB GLU 31 -8.483 3.444 -6.770 241 HG2 GLU 31 1HG GLU 31 -7.661 5.707 -4.985 242 HG3 GLU 31 2HG GLU 31 -9.198 5.710 -5.843 243 H ILE 32 H ILE 32 -5.132 2.835 -4.201 244 HA ILE 32 HA ILE 32 -6.090 0.091 -4.452 245 HB ILE 32 HB ILE 32 -3.976 1.162 -2.576 246 HG12 ILE 32 1HG1 ILE 32 -3.620 -0.169 -5.274 247 HG13 ILE 32 2HG1 ILE 32 -3.388 1.548 -4.960 248 HG21 ILE 32 1HG2 ILE 32 -4.951 -0.976 -1.902 249 HG22 ILE 32 2HG2 ILE 32 -3.278 -1.179 -2.423 250 HG23 ILE 32 3HG2 ILE 32 -4.599 -1.645 -3.497 251 HD11 ILE 32 3HD1 ILE 32 -1.272 0.349 -5.055 252 HD12 ILE 32 1HD1 ILE 32 -1.799 -0.693 -3.733 253 HD13 ILE 32 2HD1 ILE 32 -1.551 1.032 -3.452 254 H ARG 33 H ARG 33 -8.092 0.054 -3.606 255 HA ARG 33 HA ARG 33 -8.713 1.194 -1.042 256 HB2 ARG 33 1HB ARG 33 -10.464 1.069 -2.698 257 HB3 ARG 33 2HB ARG 33 -10.241 -0.665 -2.870 258 HG2 ARG 33 1HG ARG 33 -10.939 -0.905 -0.485 259 HG3 ARG 33 2HG ARG 33 -11.362 0.809 -0.503 260 HD2 ARG 33 1HD ARG 33 -13.340 -0.507 -0.932 261 HD3 ARG 33 2HD ARG 33 -12.889 0.371 -2.392 262 HE ARG 33 HE ARG 33 -12.607 -1.618 -3.453 263 HH11 ARG 33 1HH1 ARG 33 -12.519 -2.231 0.003 264 HH12 ARG 33 2HH1 ARG 33 -12.447 -3.961 -0.185 265 HH21 ARG 33 1HH2 ARG 33 -12.527 -3.873 -3.682 266 HH22 ARG 33 2HH2 ARG 33 -12.406 -4.884 -2.268 267 H CYS 34 H CYS 34 -8.121 0.304 0.811 268 HA CYS 34 HA CYS 34 -7.860 -2.626 0.934 269 HB2 CYS 34 1HB CYS 34 -6.347 -0.607 2.598 270 HB3 CYS 34 2HB CYS 34 -6.075 -2.345 2.525 271 HG CYS 34 HG CYS 34 -5.561 -0.217 -0.108 272 H GLN 35 H GLN 35 -9.070 -3.649 2.402 273 HA GLN 35 HA GLN 35 -10.088 -2.104 4.694 274 HB2 GLN 35 1HB GLN 35 -11.763 -2.757 2.755 275 HB3 GLN 35 2HB GLN 35 -11.721 -4.333 3.531 276 HG2 GLN 35 1HG GLN 35 -12.411 -1.779 4.966 277 HG3 GLN 35 2HG GLN 35 -13.603 -2.845 4.229 278 HE21 GLN 35 2HE2 GLN 35 -13.196 -2.045 7.033 279 HE22 GLN 35 1HE2 GLN 35 -13.036 -3.526 7.916 280 H LEU 36 H LEU 36 -9.212 -2.906 6.467 281 HA LEU 36 HA LEU 36 -8.108 -5.591 6.452 282 HB2 LEU 36 1HB LEU 36 -6.817 -3.623 7.254 283 HB3 LEU 36 2HB LEU 36 -7.960 -3.442 8.566 284 HG LEU 36 HG LEU 36 -6.553 -6.057 8.312 285 HD11 LEU 36 1HD1 LEU 36 -4.784 -4.395 7.965 286 HD12 LEU 36 2HD1 LEU 36 -4.632 -5.188 9.533 287 HD13 LEU 36 3HD1 LEU 36 -5.291 -3.556 9.431 288 HD21 LEU 36 3HD2 LEU 36 -6.653 -5.953 10.743 289 HD22 LEU 36 1HD2 LEU 36 -8.253 -5.682 10.051 290 HD23 LEU 36 2HD2 LEU 36 -7.313 -4.319 10.661 291 H HIS 37 H HIS 37 -9.257 -7.256 7.109 292 HA HIS 37 HA HIS 37 -11.605 -6.843 8.793 293 HB2 HIS 37 1HB HIS 37 -10.603 -9.190 7.190 294 HB3 HIS 37 2HB HIS 37 -11.944 -9.336 8.318 295 HD1 HIS 37 HD1 HIS 37 -11.326 -8.819 4.862 296 HD2 HIS 37 HD2 HIS 37 -14.052 -7.284 7.608 297 HE1 HIS 37 HE1 HIS 37 -13.215 -7.884 3.495 298 HE2 HIS 37 HE2 HIS 37 -14.799 -6.863 5.166 299 H ARG 38 H ARG 38 -11.314 -6.873 10.905 300 HA ARG 38 HA ARG 38 -10.055 -9.200 12.105 301 HB2 ARG 38 1HB ARG 38 -8.404 -7.144 11.851 302 HB3 ARG 38 2HB ARG 38 -9.284 -6.544 13.250 303 HG2 ARG 38 1HG ARG 38 -8.705 -8.582 14.481 304 HG3 ARG 38 2HG ARG 38 -7.802 -9.163 13.079 305 HD2 ARG 38 1HD ARG 38 -6.606 -6.825 13.319 306 HD3 ARG 38 2HD ARG 38 -7.165 -6.966 14.985 307 HE ARG 38 HE ARG 38 -5.933 -9.372 14.331 308 HH11 ARG 38 1HH1 ARG 38 -5.078 -6.015 14.789 309 HH12 ARG 38 2HH1 ARG 38 -3.388 -6.340 15.077 310 HH21 ARG 38 1HH2 ARG 38 -3.711 -9.818 14.746 311 HH22 ARG 38 2HH2 ARG 38 -2.622 -8.491 15.082 312 H ASP 39 H ASP 39 -11.517 -9.932 13.526 313 HA ASP 39 HA ASP 39 -13.816 -8.460 14.167 314 HB2 ASP 39 1HB ASP 39 -14.435 -10.310 15.613 315 HB3 ASP 39 2HB ASP 39 -13.820 -10.911 14.079 316 H GLY 40 H GLY 40 -14.585 -7.907 16.267 317 HA2 GLY 40 1HA GLY 40 -14.367 -6.758 18.265 318 HA3 GLY 40 2HA GLY 40 -12.675 -7.249 18.324 319 H ARG 41 H ARG 41 -11.132 -5.900 17.614 320 HA ARG 41 HA ARG 41 -11.365 -3.957 15.666 321 HB2 ARG 41 1HB ARG 41 -12.889 -2.897 17.393 322 HB3 ARG 41 2HB ARG 41 -11.470 -2.668 18.400 323 HG2 ARG 41 1HG ARG 41 -12.024 -0.646 17.171 324 HG3 ARG 41 2HG ARG 41 -10.457 -1.282 16.669 325 HD2 ARG 41 1HD ARG 41 -11.774 -0.563 14.747 326 HD3 ARG 41 2HD ARG 41 -11.483 -2.299 14.708 327 HE ARG 41 HE ARG 41 -14.005 -1.442 15.876 328 HH11 ARG 41 1HH1 ARG 41 -12.330 -2.580 13.028 329 HH12 ARG 41 2HH1 ARG 41 -13.768 -3.179 12.267 330 HH21 ARG 41 1HH2 ARG 41 -15.895 -2.218 14.888 331 HH22 ARG 41 2HH2 ARG 41 -15.798 -2.984 13.320 332 H PHE 42 H PHE 42 -9.884 -3.201 18.769 333 HA PHE 42 HA PHE 42 -7.447 -4.448 18.553 334 HB2 PHE 42 1HB PHE 42 -5.938 -2.712 17.712 335 HB3 PHE 42 2HB PHE 42 -7.088 -3.175 16.467 336 HD1 PHE 42 HD2 PHE 42 -6.175 -0.534 18.873 337 HD2 PHE 42 HD1 PHE 42 -8.590 -1.595 15.536 338 HE1 PHE 42 HE2 PHE 42 -6.755 1.834 18.545 339 HE2 PHE 42 HE1 PHE 42 -9.166 0.772 15.198 340 HZ PHE 42 HZ PHE 42 -8.254 2.489 16.707 341 H GLU 43 H GLU 43 -5.816 -3.457 20.048 342 HA GLU 43 HA GLU 43 -7.055 -1.543 21.908 343 HB2 GLU 43 1HB GLU 43 -7.148 -3.901 22.790 344 HB3 GLU 43 2HB GLU 43 -5.389 -3.912 22.774 345 HG2 GLU 43 1HG GLU 43 -6.207 -3.447 24.995 346 HG3 GLU 43 2HG GLU 43 -5.368 -2.036 24.348 347 H GLU 44 H GLU 44 -5.891 0.196 21.288 348 HA GLU 44 HA GLU 44 -4.171 1.524 20.668 349 HB2 GLU 44 1HB GLU 44 -3.749 0.794 23.193 350 HB3 GLU 44 2HB GLU 44 -2.304 0.083 22.481 351 HG2 GLU 44 1HG GLU 44 -1.652 2.220 21.579 352 HG3 GLU 44 2HG GLU 44 -3.144 2.945 22.177 353 H THR 45 H THR 45 -4.566 -0.841 19.157 354 HA THR 45 HA THR 45 -1.927 -1.835 18.458 355 HB THR 45 HB THR 45 -4.644 -2.572 17.350 356 HG1 THR 45 HG1 THR 45 -3.145 -3.473 19.561 357 HG21 THR 45 3HG2 THR 45 -2.790 -3.131 15.841 358 HG22 THR 45 1HG2 THR 45 -3.535 -4.580 16.517 359 HG23 THR 45 2HG2 THR 45 -1.995 -4.003 17.149 360 H LYS 46 H LYS 46 -0.845 -0.350 17.272 361 HA LYS 46 HA LYS 46 -2.202 0.948 15.032 362 HB2 LYS 46 1HB LYS 46 0.604 1.370 16.093 363 HB3 LYS 46 2HB LYS 46 -0.126 2.261 14.773 364 HG2 LYS 46 1HG LYS 46 -0.285 3.696 16.590 365 HG3 LYS 46 2HG LYS 46 -1.894 2.986 16.468 366 HD2 LYS 46 1HD LYS 46 -1.084 3.098 18.793 367 HD3 LYS 46 2HD LYS 46 -1.384 1.442 18.265 368 HE2 LYS 46 1HE LYS 46 1.027 1.179 17.817 369 HE3 LYS 46 2HE LYS 46 1.300 2.812 18.419 370 HZ1 LYS 46 3HZ LYS 46 0.732 2.182 20.576 371 HZ2 LYS 46 1HZ LYS 46 1.686 0.905 20.012 372 HZ3 LYS 46 2HZ LYS 46 -0.001 0.738 20.081 373 H TYR 47 H TYR 47 -1.676 0.540 12.933 374 HA TYR 47 HA TYR 47 0.104 -1.728 12.443 375 HB2 TYR 47 1HB TYR 47 -1.947 -0.354 10.694 376 HB3 TYR 47 2HB TYR 47 -0.855 -1.603 10.106 377 HD1 TYR 47 HD2 TYR 47 -1.124 -3.915 10.794 378 HD2 TYR 47 HD1 TYR 47 -3.796 -0.909 12.173 379 HE1 TYR 47 HE2 TYR 47 -2.696 -5.656 11.524 380 HE2 TYR 47 HE1 TYR 47 -5.376 -2.644 12.909 381 HH TYR 47 HH TYR 47 -4.504 -5.956 13.052 382 H PHE 48 H PHE 48 1.912 -1.554 11.172 383 HA PHE 48 HA PHE 48 2.714 1.206 10.520 384 HB2 PHE 48 1HB PHE 48 4.459 -1.148 11.282 385 HB3 PHE 48 2HB PHE 48 5.046 0.451 10.838 386 HD1 PHE 48 HD2 PHE 48 4.499 2.401 12.300 387 HD2 PHE 48 HD1 PHE 48 3.736 -1.620 13.471 388 HE1 PHE 48 HE2 PHE 48 4.342 3.119 14.649 389 HE2 PHE 48 HE1 PHE 48 3.576 -0.910 15.819 390 HZ PHE 48 HZ PHE 48 3.883 1.461 16.411 391 H ILE 49 H ILE 49 3.060 1.658 8.465 392 HA ILE 49 HA ILE 49 3.140 -0.598 6.587 393 HB ILE 49 HB ILE 49 1.187 0.806 6.271 394 HG12 ILE 49 1HG1 ILE 49 3.229 1.231 4.079 395 HG13 ILE 49 2HG1 ILE 49 2.235 -0.207 4.289 396 HG21 ILE 49 1HG2 ILE 49 1.389 3.157 5.573 397 HG22 ILE 49 2HG2 ILE 49 3.126 3.081 5.870 398 HG23 ILE 49 3HG2 ILE 49 1.993 2.889 7.208 399 HD11 ILE 49 3HD1 ILE 49 1.362 1.225 2.535 400 HD12 ILE 49 1HD1 ILE 49 1.224 2.563 3.676 401 HD13 ILE 49 2HD1 ILE 49 0.229 1.120 3.883 402 H ARG 50 H ARG 50 4.842 -0.939 5.406 403 HA ARG 50 HA ARG 50 6.497 1.247 4.465 404 HB2 ARG 50 1HB ARG 50 7.590 0.550 6.587 405 HB3 ARG 50 2HB ARG 50 7.700 -1.093 5.972 406 HG2 ARG 50 1HG ARG 50 9.190 -0.383 4.216 407 HG3 ARG 50 2HG ARG 50 9.011 1.303 4.707 408 HD2 ARG 50 1HD ARG 50 11.093 0.439 5.567 409 HD3 ARG 50 2HD ARG 50 9.983 0.728 6.905 410 HE ARG 50 HE ARG 50 10.462 -1.955 5.765 411 HH11 ARG 50 1HH1 ARG 50 10.024 0.183 8.495 412 HH12 ARG 50 2HH1 ARG 50 10.182 -1.080 9.681 413 HH21 ARG 50 1HH2 ARG 50 10.712 -3.609 7.304 414 HH22 ARG 50 2HH2 ARG 50 10.589 -3.240 9.005 415 H TYR 51 H TYR 51 7.419 0.745 2.465 416 HA TYR 51 HA TYR 51 6.904 -1.964 1.478 417 HB2 TYR 51 1HB TYR 51 5.957 -1.114 -0.596 418 HB3 TYR 51 2HB TYR 51 5.016 -0.548 0.775 419 HD1 TYR 51 HD2 TYR 51 5.345 1.842 1.555 420 HD2 TYR 51 HD1 TYR 51 6.906 0.390 -2.124 421 HE1 TYR 51 HE2 TYR 51 5.553 4.151 0.738 422 HE2 TYR 51 HE1 TYR 51 7.115 2.693 -2.953 423 HH TYR 51 HH TYR 51 6.636 5.445 -0.885 424 H PHE 52 H PHE 52 8.309 -2.720 -0.045 425 HA PHE 52 HA PHE 52 10.645 -1.005 -0.556 426 HB2 PHE 52 1HB PHE 52 11.063 -3.125 0.706 427 HB3 PHE 52 2HB PHE 52 10.482 -4.026 -0.689 428 HD1 PHE 52 HD1 PHE 52 13.137 -1.764 0.512 429 HD2 PHE 52 HD2 PHE 52 11.883 -4.443 -2.548 430 HE1 PHE 52 HE1 PHE 52 15.406 -1.735 -0.439 431 HE2 PHE 52 HE2 PHE 52 14.150 -4.418 -3.501 432 HZ PHE 52 HZ PHE 52 15.914 -3.064 -2.446 433 H GLN 53 H GLN 53 11.137 -0.474 -2.598 434 HA GLN 53 HA GLN 53 9.601 -1.799 -4.720 435 HB2 GLN 53 1HB GLN 53 9.791 0.403 -5.964 436 HB3 GLN 53 2HB GLN 53 8.719 0.385 -4.571 437 HG2 GLN 53 1HG GLN 53 10.442 1.470 -3.225 438 HG3 GLN 53 2HG GLN 53 11.524 1.480 -4.617 439 HE21 GLN 53 2HE2 GLN 53 8.100 2.059 -4.904 440 HE22 GLN 53 1HE2 GLN 53 8.216 3.735 -5.300 441 HA PRO 54 HA PRO 54 13.822 -2.882 -6.036 442 HB2 PRO 54 1HB PRO 54 12.162 -4.484 -7.899 443 HB3 PRO 54 2HB PRO 54 13.517 -4.990 -6.885 444 HG2 PRO 54 1HG PRO 54 11.016 -5.673 -6.261 445 HG3 PRO 54 2HG PRO 54 12.185 -5.230 -5.002 446 HD2 PRO 54 1HD PRO 54 9.962 -3.607 -6.177 447 HD3 PRO 54 2HD PRO 54 10.494 -3.734 -4.486 448 H ASP 55 H ASP 55 11.016 -1.677 -7.653 449 HA ASP 55 HA ASP 55 12.112 -1.097 -10.176 450 HB2 ASP 55 1HB ASP 55 9.721 -0.965 -9.848 451 HB3 ASP 55 2HB ASP 55 9.924 0.296 -8.633 452 H GLY 56 H GLY 56 11.322 1.356 -7.786 453 HA2 GLY 56 1HA GLY 56 13.451 2.425 -6.810 454 HA3 GLY 56 2HA GLY 56 13.805 2.755 -8.497 455 H ALA 57 H ALA 57 10.856 3.241 -9.008 456 HA ALA 57 HA ALA 57 10.700 5.853 -7.653 457 HB1 ALA 57 3HB ALA 57 9.999 6.917 -9.706 458 HB2 ALA 57 1HB ALA 57 10.081 5.377 -10.564 459 HB3 ALA 57 2HB ALA 57 11.556 6.124 -9.949 460 H GLY 58 H GLY 58 8.473 6.869 -8.045 461 HA2 GLY 58 1HA GLY 58 6.120 6.216 -8.635 462 HA3 GLY 58 2HA GLY 58 6.429 4.764 -7.692 463 H THR 59 H THR 59 4.791 7.498 -7.545 464 HA THR 59 HA THR 59 5.518 8.248 -4.813 465 HB THR 59 HB THR 59 3.397 9.480 -6.584 466 HG1 THR 59 HG1 THR 59 5.975 9.509 -7.004 467 HG21 THR 59 3HG2 THR 59 3.686 11.422 -5.104 468 HG22 THR 59 1HG2 THR 59 4.836 10.502 -4.132 469 HG23 THR 59 2HG2 THR 59 3.147 9.997 -4.215 470 H LEU 60 H LEU 60 4.609 7.056 -3.250 471 HA LEU 60 HA LEU 60 1.836 6.136 -3.637 472 HB2 LEU 60 1HB LEU 60 3.501 4.361 -3.195 473 HB3 LEU 60 2HB LEU 60 3.916 5.143 -1.682 474 HG LEU 60 HG LEU 60 1.634 4.740 -0.845 475 HD11 LEU 60 1HD1 LEU 60 0.168 3.202 -2.099 476 HD12 LEU 60 2HD1 LEU 60 1.267 3.317 -3.471 477 HD13 LEU 60 3HD1 LEU 60 0.405 4.749 -2.909 478 HD21 LEU 60 3HD2 LEU 60 1.823 2.320 -0.579 479 HD22 LEU 60 1HD2 LEU 60 3.384 3.112 -0.371 480 HD23 LEU 60 2HD2 LEU 60 3.018 2.267 -1.876 481 H LYS 61 H LYS 61 0.414 7.461 -2.755 482 HA LYS 61 HA LYS 61 1.122 8.742 -0.198 483 HB2 LYS 61 1HB LYS 61 -0.692 9.746 -2.397 484 HB3 LYS 61 2HB LYS 61 -0.530 10.508 -0.822 485 HG2 LYS 61 1HG LYS 61 1.857 10.885 -1.265 486 HG3 LYS 61 2HG LYS 61 1.654 10.170 -2.865 487 HD2 LYS 61 1HD LYS 61 0.164 12.596 -1.866 488 HD3 LYS 61 2HD LYS 61 1.614 12.654 -2.871 489 HE2 LYS 61 1HE LYS 61 0.435 11.401 -4.619 490 HE3 LYS 61 2HE LYS 61 -1.011 11.373 -3.613 491 HZ1 LYS 61 3HZ LYS 61 0.310 13.825 -4.647 492 HZ2 LYS 61 1HZ LYS 61 -1.107 13.775 -3.717 493 HZ3 LYS 61 2HZ LYS 61 -1.099 13.128 -5.283 494 H MET 62 H MET 62 -0.314 8.693 1.450 495 HA MET 62 HA MET 62 -2.354 6.670 1.396 496 HB2 MET 62 1HB MET 62 -0.912 7.251 3.391 497 HB3 MET 62 2HB MET 62 -1.817 8.750 3.529 498 HG2 MET 62 1HG MET 62 -3.872 7.467 3.878 499 HG3 MET 62 2HG MET 62 -2.945 5.971 3.771 500 HE1 MET 62 3HE MET 62 -0.254 6.878 5.244 501 HE2 MET 62 1HE MET 62 -1.011 5.316 5.554 502 HE3 MET 62 2HE MET 62 -0.564 6.363 6.901 503 H SER 63 H SER 63 -4.623 7.090 1.842 504 HA SER 63 HA SER 63 -5.805 8.973 0.196 505 HB2 SER 63 1HB SER 63 -6.973 6.988 1.005 506 HB3 SER 63 2HB SER 63 -6.953 7.620 2.648 507 HG SER 63 HG SER 63 -8.620 8.811 2.209 508 H ASP 64 H ASP 64 -4.688 9.321 3.466 509 HA ASP 64 HA ASP 64 -6.137 11.765 3.945 510 HB2 ASP 64 1HB ASP 64 -4.023 10.311 5.536 511 HB3 ASP 64 2HB ASP 64 -4.794 11.803 6.071 512 H GLY 65 H GLY 65 -3.589 11.146 2.019 513 HA2 GLY 65 1HA GLY 65 -2.570 12.883 0.782 514 HA3 GLY 65 2HA GLY 65 -2.788 13.963 2.149 515 H THR 66 H THR 66 -1.643 11.250 3.500 516 HA THR 66 HA THR 66 0.938 12.347 3.959 517 HB THR 66 HB THR 66 0.025 9.535 4.582 518 HG1 THR 66 HG1 THR 66 -0.274 11.882 6.189 519 HG21 THR 66 3HG2 THR 66 1.603 9.718 6.445 520 HG22 THR 66 1HG2 THR 66 2.031 11.349 5.931 521 HG23 THR 66 2HG2 THR 66 2.421 9.971 4.903 522 H VAL 67 H VAL 67 2.576 12.267 2.551 523 HA VAL 67 HA VAL 67 2.710 10.296 0.465 524 HB VAL 67 HB VAL 67 4.776 12.333 1.330 525 HG11 VAL 67 1HG1 VAL 67 4.623 10.653 -1.173 526 HG12 VAL 67 2HG1 VAL 67 5.810 10.496 0.122 527 HG13 VAL 67 3HG1 VAL 67 5.785 11.947 -0.876 528 HG21 VAL 67 3HG2 VAL 67 2.711 13.368 0.559 529 HG22 VAL 67 1HG2 VAL 67 2.768 12.409 -0.921 530 HG23 VAL 67 2HG2 VAL 67 4.013 13.620 -0.604 531 H LEU 68 H LEU 68 3.690 8.374 0.539 532 HA LEU 68 HA LEU 68 5.080 7.684 3.030 533 HB2 LEU 68 1HB LEU 68 3.942 5.820 0.948 534 HB3 LEU 68 2HB LEU 68 4.502 5.394 2.553 535 HG LEU 68 HG LEU 68 2.086 7.101 1.947 536 HD11 LEU 68 1HD1 LEU 68 2.269 4.263 2.947 537 HD12 LEU 68 2HD1 LEU 68 1.783 4.756 1.324 538 HD13 LEU 68 3HD1 LEU 68 0.790 5.196 2.714 539 HD21 LEU 68 3HD2 LEU 68 1.614 6.876 4.342 540 HD22 LEU 68 1HD2 LEU 68 3.134 7.722 4.050 541 HD23 LEU 68 2HD2 LEU 68 3.150 6.034 4.562 542 H LEU 69 H LEU 69 7.215 7.616 2.950 543 HA LEU 69 HA LEU 69 8.574 7.089 0.429 544 HB2 LEU 69 1HB LEU 69 9.543 7.989 3.135 545 HB3 LEU 69 2HB LEU 69 10.654 7.478 1.882 546 HG LEU 69 HG LEU 69 10.580 9.856 1.842 547 HD11 LEU 69 1HD1 LEU 69 8.878 8.801 -0.407 548 HD12 LEU 69 2HD1 LEU 69 10.640 8.784 -0.342 549 HD13 LEU 69 3HD1 LEU 69 9.775 10.321 -0.410 550 HD21 LEU 69 3HD2 LEU 69 8.495 10.207 3.040 551 HD22 LEU 69 1HD2 LEU 69 7.581 9.634 1.645 552 HD23 LEU 69 2HD2 LEU 69 8.511 11.128 1.538 553 HA PRO 70 HA PRO 70 8.907 2.762 1.130 554 HB2 PRO 70 1HB PRO 70 11.519 3.005 -0.263 555 HB3 PRO 70 2HB PRO 70 10.123 1.992 -0.652 556 HG2 PRO 70 1HG PRO 70 10.688 4.159 -2.098 557 HG3 PRO 70 2HG PRO 70 9.012 3.715 -1.735 558 HD2 PRO 70 1HD PRO 70 10.718 5.845 -0.516 559 HD3 PRO 70 2HD PRO 70 8.985 5.869 -0.905 560 H ASN 71 H ASN 71 11.694 4.803 1.816 561 HA ASN 71 HA ASN 71 12.989 2.754 3.400 562 HB2 ASN 71 1HB ASN 71 14.292 4.295 1.957 563 HB3 ASN 71 2HB ASN 71 13.768 5.646 2.953 564 HD21 ASN 71 2HD2 ASN 71 15.761 2.800 2.798 565 HD22 ASN 71 1HD2 ASN 71 16.752 3.172 4.170 566 H ASP 72 H ASP 72 10.541 4.917 3.973 567 HA ASP 72 HA ASP 72 11.359 5.509 6.731 568 HB2 ASP 72 1HB ASP 72 10.436 7.257 4.994 569 HB3 ASP 72 2HB ASP 72 8.871 6.600 5.453 570 H LEU 73 H LEU 73 8.963 5.737 8.016 571 HA LEU 73 HA LEU 73 7.451 3.283 7.611 572 HB2 LEU 73 1HB LEU 73 9.357 2.590 9.023 573 HB3 LEU 73 2HB LEU 73 8.932 3.827 10.189 574 HG LEU 73 HG LEU 73 6.758 2.671 10.563 575 HD11 LEU 73 1HD1 LEU 73 6.523 0.361 9.767 576 HD12 LEU 73 2HD1 LEU 73 7.979 0.563 8.793 577 HD13 LEU 73 3HD1 LEU 73 6.544 1.527 8.444 578 HD21 LEU 73 3HD2 LEU 73 8.658 2.295 12.048 579 HD22 LEU 73 1HD2 LEU 73 9.220 0.988 11.006 580 HD23 LEU 73 2HD2 LEU 73 7.689 0.833 11.866 581 H TYR 74 H TYR 74 5.390 3.866 7.782 582 HA TYR 74 HA TYR 74 4.734 6.093 9.596 583 HB2 TYR 74 1HB TYR 74 3.442 5.430 6.940 584 HB3 TYR 74 2HB TYR 74 2.961 6.738 8.014 585 HD1 TYR 74 HD1 TYR 74 5.570 5.547 5.713 586 HD2 TYR 74 HD2 TYR 74 4.214 8.789 8.110 587 HE1 TYR 74 HE1 TYR 74 7.180 7.029 4.605 588 HE2 TYR 74 HE2 TYR 74 5.822 10.284 7.002 589 HH TYR 74 HH TYR 74 8.011 10.053 5.785 590 HA PRO 75 HA PRO 75 1.692 3.285 11.262 591 HB2 PRO 75 1HB PRO 75 0.365 5.434 12.608 592 HB3 PRO 75 2HB PRO 75 1.508 4.274 13.285 593 HG2 PRO 75 1HG PRO 75 1.995 6.980 12.988 594 HG3 PRO 75 2HG PRO 75 3.246 5.738 13.147 595 HD2 PRO 75 1HD PRO 75 2.225 7.098 10.688 596 HD3 PRO 75 2HD PRO 75 3.881 6.600 11.100 597 H LEU 76 H LEU 76 -0.306 2.609 10.679 598 HA LEU 76 HA LEU 76 -1.754 4.134 8.697 599 HB2 LEU 76 1HB LEU 76 -2.262 1.444 9.963 600 HB3 LEU 76 2HB LEU 76 -3.312 2.157 8.753 601 HG LEU 76 HG LEU 76 -0.402 1.455 8.331 602 HD11 LEU 76 1HD1 LEU 76 -2.906 0.101 7.342 603 HD12 LEU 76 2HD1 LEU 76 -1.803 -0.526 8.567 604 HD13 LEU 76 3HD1 LEU 76 -1.252 -0.327 6.902 605 HD21 LEU 76 3HD2 LEU 76 -0.846 1.945 5.990 606 HD22 LEU 76 1HD2 LEU 76 -1.153 3.364 6.992 607 HD23 LEU 76 2HD2 LEU 76 -2.502 2.403 6.385 608 HA PRO 77 HA PRO 77 -4.563 6.042 11.488 609 HB2 PRO 77 1HB PRO 77 -6.541 6.722 9.796 610 HB3 PRO 77 2HB PRO 77 -4.951 7.492 9.741 611 HG2 PRO 77 1HG PRO 77 -6.071 5.325 8.012 612 HG3 PRO 77 2HG PRO 77 -5.100 6.736 7.554 613 HD2 PRO 77 1HD PRO 77 -4.073 4.218 7.861 614 HD3 PRO 77 2HD PRO 77 -3.128 5.702 8.084 615 H GLY 78 H GLY 78 -5.342 3.119 9.903 616 HA2 GLY 78 1HA GLY 78 -6.812 1.998 11.891 617 HA3 GLY 78 2HA GLY 78 -8.009 2.882 10.956 618 H GLU 79 H GLU 79 -8.907 0.724 10.689 619 HA GLU 79 HA GLU 79 -7.501 -1.212 9.092 620 HB2 GLU 79 1HB GLU 79 -10.454 -1.367 9.407 621 HB3 GLU 79 2HB GLU 79 -9.247 -2.636 9.532 622 HG2 GLU 79 1HG GLU 79 -9.925 -2.487 11.703 623 HG3 GLU 79 2HG GLU 79 -8.577 -1.353 11.716 624 H THR 80 H THR 80 -9.851 1.321 8.558 625 HA THR 80 HA THR 80 -10.120 0.539 5.754 626 HB THR 80 HB THR 80 -11.746 2.502 5.679 627 HG1 THR 80 HG1 THR 80 -10.771 2.951 8.080 628 HG21 THR 80 3HG2 THR 80 -12.376 0.223 7.559 629 HG22 THR 80 1HG2 THR 80 -12.469 0.157 5.798 630 HG23 THR 80 2HG2 THR 80 -13.551 1.218 6.700 631 H PHE 81 H PHE 81 -8.281 1.105 4.727 632 HA PHE 81 HA PHE 81 -7.695 3.968 4.629 633 HB2 PHE 81 1HB PHE 81 -5.269 3.550 4.726 634 HB3 PHE 81 2HB PHE 81 -6.075 3.063 6.212 635 HD1 PHE 81 HD2 PHE 81 -6.476 0.630 6.636 636 HD2 PHE 81 HD1 PHE 81 -4.031 2.025 3.446 637 HE1 PHE 81 HE2 PHE 81 -5.438 -1.593 6.464 638 HE2 PHE 81 HE1 PHE 81 -2.988 -0.194 3.271 639 HZ PHE 81 HZ PHE 81 -3.691 -2.007 4.780 640 H ARG 82 H ARG 82 -6.622 4.638 2.718 641 HA ARG 82 HA ARG 82 -6.695 2.678 0.533 642 HB2 ARG 82 1HB ARG 82 -7.844 5.471 0.524 643 HB3 ARG 82 2HB ARG 82 -7.559 4.537 -0.937 644 HG2 ARG 82 1HG ARG 82 -9.122 2.854 -0.233 645 HG3 ARG 82 2HG ARG 82 -9.329 3.648 1.328 646 HD2 ARG 82 1HD ARG 82 -9.990 4.933 -1.313 647 HD3 ARG 82 2HD ARG 82 -11.164 4.068 -0.321 648 HE ARG 82 HE ARG 82 -9.964 5.981 1.305 649 HH11 ARG 82 1HH1 ARG 82 -12.007 5.864 -1.531 650 HH12 ARG 82 2HH1 ARG 82 -12.774 7.394 -1.200 651 HH21 ARG 82 1HH2 ARG 82 -10.965 7.996 1.741 652 HH22 ARG 82 2HH2 ARG 82 -12.159 8.614 0.642 653 H LEU 83 H LEU 83 -5.149 2.927 -1.051 654 HA LEU 83 HA LEU 83 -3.051 4.907 -0.442 655 HB2 LEU 83 1HB LEU 83 -2.718 2.096 -1.492 656 HB3 LEU 83 2HB LEU 83 -1.421 3.248 -1.250 657 HG LEU 83 HG LEU 83 -3.155 2.110 0.945 658 HD11 LEU 83 1HD1 LEU 83 -1.178 0.846 1.588 659 HD12 LEU 83 2HD1 LEU 83 -0.294 1.501 0.210 660 HD13 LEU 83 3HD1 LEU 83 -1.674 0.435 -0.054 661 HD21 LEU 83 3HD2 LEU 83 -1.532 3.157 2.451 662 HD22 LEU 83 1HD2 LEU 83 -2.349 4.358 1.450 663 HD23 LEU 83 2HD2 LEU 83 -0.700 3.863 1.065 664 H TYR 84 H TYR 84 -2.473 6.209 -2.051 665 HA TYR 84 HA TYR 84 -3.478 5.590 -4.744 666 HB2 TYR 84 1HB TYR 84 -2.763 8.250 -3.486 667 HB3 TYR 84 2HB TYR 84 -3.255 8.039 -5.164 668 HD1 TYR 84 HD2 TYR 84 -4.396 7.850 -1.658 669 HD2 TYR 84 HD1 TYR 84 -5.555 7.730 -5.749 670 HE1 TYR 84 HE2 TYR 84 -6.753 8.034 -0.989 671 HE2 TYR 84 HE1 TYR 84 -7.915 7.917 -5.088 672 HH TYR 84 HH TYR 84 -9.248 7.261 -2.852 673 H TYR 85 H TYR 85 -1.908 4.569 -5.818 674 HA TYR 85 HA TYR 85 0.855 5.485 -5.478 675 HB2 TYR 85 1HB TYR 85 0.577 3.110 -5.142 676 HB3 TYR 85 2HB TYR 85 -0.249 2.943 -6.688 677 HD1 TYR 85 HD1 TYR 85 3.013 4.129 -5.298 678 HD2 TYR 85 HD2 TYR 85 0.976 2.234 -8.518 679 HE1 TYR 85 HE1 TYR 85 5.167 3.718 -6.411 680 HE2 TYR 85 HE2 TYR 85 3.122 1.816 -9.639 681 HH TYR 85 HH TYR 85 6.158 2.326 -8.071 682 H THR 86 H THR 86 1.460 6.996 -6.839 683 HA THR 86 HA THR 86 0.503 6.991 -9.599 684 HB THR 86 HB THR 86 2.399 8.944 -8.277 685 HG1 THR 86 HG1 THR 86 -0.449 8.960 -8.485 686 HG21 THR 86 3HG2 THR 86 1.713 10.443 -10.090 687 HG22 THR 86 1HG2 THR 86 0.677 9.176 -10.750 688 HG23 THR 86 2HG2 THR 86 2.427 8.960 -10.729 689 H SER 87 H SER 87 1.564 5.613 -10.901 690 HA SER 87 HA SER 87 4.238 4.750 -10.402 691 HB2 SER 87 1HB SER 87 3.897 3.786 -12.809 692 HB3 SER 87 2HB SER 87 2.955 3.128 -11.471 693 HG SER 87 HG SER 87 2.139 4.933 -13.495 694 H ALA 88 H ALA 88 6.095 5.613 -11.058 695 HA ALA 88 HA ALA 88 5.968 7.814 -13.016 696 HB1 ALA 88 3HB ALA 88 7.770 7.631 -10.605 697 HB2 ALA 88 1HB ALA 88 6.298 8.598 -10.705 698 HB3 ALA 88 2HB ALA 88 7.671 8.971 -11.747 699 H SER 89 H SER 89 6.675 4.871 -13.213 700 HA SER 89 HA SER 89 9.301 5.241 -14.478 701 HB2 SER 89 1HB SER 89 8.358 2.746 -13.046 702 HB3 SER 89 2HB SER 89 9.931 2.986 -13.804 703 HG SER 89 HG SER 89 9.682 3.314 -11.406 704 H THR 90 H THR 90 9.677 3.969 -16.357 705 HA THR 90 HA THR 90 7.231 3.148 -17.730 706 HB THR 90 HB THR 90 8.972 2.970 -19.693 707 HG1 THR 90 HG1 THR 90 10.862 3.325 -18.542 708 HG21 THR 90 3HG2 THR 90 8.596 5.332 -20.226 709 HG22 THR 90 1HG2 THR 90 8.097 5.632 -18.560 710 HG23 THR 90 2HG2 THR 90 7.129 4.581 -19.597 711 H ASP 91 H ASP 91 9.090 1.661 -15.702 712 HA ASP 91 HA ASP 91 9.683 -0.747 -17.255 713 HB2 ASP 91 1HB ASP 91 10.574 0.374 -14.643 714 HB3 ASP 91 2HB ASP 91 10.505 -1.377 -14.774 715 H GLN 92 H GLN 92 9.413 -2.678 -15.342 716 HA GLN 92 HA GLN 92 6.566 -2.868 -14.853 717 HB2 GLN 92 1HB GLN 92 7.971 -4.849 -15.518 718 HB3 GLN 92 2HB GLN 92 8.789 -4.725 -13.969 719 HG2 GLN 92 1HG GLN 92 6.470 -4.957 -12.928 720 HG3 GLN 92 2HG GLN 92 5.944 -5.481 -14.527 721 HE21 GLN 92 2HE2 GLN 92 7.776 -6.272 -11.705 722 HE22 GLN 92 1HE2 GLN 92 8.061 -7.932 -12.100 723 H GLN 93 H GLN 93 5.731 -1.860 -13.100 724 HA GLN 93 HA GLN 93 7.520 -0.933 -11.034 725 HB2 GLN 93 1HB GLN 93 4.597 -0.544 -11.604 726 HB3 GLN 93 2HB GLN 93 5.254 -0.102 -10.038 727 HG2 GLN 93 1HG GLN 93 5.107 1.817 -11.513 728 HG3 GLN 93 2HG GLN 93 6.781 1.462 -11.098 729 HE21 GLN 93 2HE2 GLN 93 4.375 1.389 -13.620 730 HE22 GLN 93 1HE2 GLN 93 5.485 1.229 -14.933 731 H THR 94 H THR 94 8.135 -2.279 -9.521 732 HA THR 94 HA THR 94 6.241 -4.318 -8.583 733 HB THR 94 HB THR 94 9.251 -4.353 -8.281 734 HG1 THR 94 HG1 THR 94 8.587 -4.429 -10.509 735 HG21 THR 94 3HG2 THR 94 8.035 -5.758 -6.692 736 HG22 THR 94 1HG2 THR 94 8.891 -6.751 -7.872 737 HG23 THR 94 2HG2 THR 94 7.150 -6.510 -8.020 738 H VAL 95 H VAL 95 5.291 -3.729 -6.763 739 HA VAL 95 HA VAL 95 6.879 -2.252 -4.765 740 HB VAL 95 HB VAL 95 3.907 -2.000 -5.265 741 HG11 VAL 95 1HG1 VAL 95 4.456 -1.693 -2.927 742 HG12 VAL 95 2HG1 VAL 95 4.029 -0.144 -3.653 743 HG13 VAL 95 3HG1 VAL 95 5.720 -0.539 -3.350 744 HG21 VAL 95 3HG2 VAL 95 4.435 0.288 -6.011 745 HG22 VAL 95 1HG2 VAL 95 5.163 -0.938 -7.047 746 HG23 VAL 95 2HG2 VAL 95 6.154 -0.077 -5.869 747 H ASP 96 H ASP 96 7.368 -3.664 -3.214 748 HA ASP 96 HA ASP 96 5.389 -5.685 -2.436 749 HB2 ASP 96 1HB ASP 96 7.813 -6.287 -2.921 750 HB3 ASP 96 2HB ASP 96 8.238 -5.399 -1.464 751 H VAL 97 H VAL 97 4.022 -5.080 -0.897 752 HA VAL 97 HA VAL 97 4.818 -2.884 0.885 753 HB VAL 97 HB VAL 97 2.027 -3.924 0.363 754 HG11 VAL 97 1HG1 VAL 97 1.313 -1.803 1.346 755 HG12 VAL 97 2HG1 VAL 97 2.997 -1.373 1.644 756 HG13 VAL 97 3HG1 VAL 97 2.277 -2.748 2.481 757 HG21 VAL 97 3HG2 VAL 97 3.001 -3.044 -1.695 758 HG22 VAL 97 1HG2 VAL 97 3.423 -1.547 -0.864 759 HG23 VAL 97 2HG2 VAL 97 1.729 -1.984 -1.090 760 H TYR 98 H TYR 98 5.040 -3.159 3.005 761 HA TYR 98 HA TYR 98 4.216 -5.742 4.147 762 HB2 TYR 98 1HB TYR 98 6.347 -3.876 5.207 763 HB3 TYR 98 2HB TYR 98 6.015 -5.522 5.734 764 HD1 TYR 98 HD2 TYR 98 6.342 -7.392 3.992 765 HD2 TYR 98 HD1 TYR 98 7.946 -3.476 3.555 766 HE1 TYR 98 HE2 TYR 98 7.959 -8.246 2.352 767 HE2 TYR 98 HE1 TYR 98 9.566 -4.317 1.906 768 HH TYR 98 HH TYR 98 9.264 -7.268 0.396 769 H PHE 99 H PHE 99 2.555 -5.657 5.473 770 HA PHE 99 HA PHE 99 2.075 -3.187 7.005 771 HB2 PHE 99 1HB PHE 99 0.198 -5.488 6.393 772 HB3 PHE 99 2HB PHE 99 -0.208 -4.095 7.386 773 HD1 PHE 99 HD1 PHE 99 0.323 -1.767 6.115 774 HD2 PHE 99 HD2 PHE 99 -0.604 -5.481 4.253 775 HE1 PHE 99 HE1 PHE 99 -0.475 -0.566 4.123 776 HE2 PHE 99 HE2 PHE 99 -1.405 -4.281 2.254 777 HZ PHE 99 HZ PHE 99 -1.338 -1.821 2.189 778 H GLN 100 H GLN 100 2.906 -3.289 8.990 779 HA GLN 100 HA GLN 100 3.250 -5.938 10.204 780 HB2 GLN 100 1HB GLN 100 5.287 -4.585 9.864 781 HB3 GLN 100 2HB GLN 100 4.609 -3.324 10.885 782 HG2 GLN 100 1HG GLN 100 4.629 -4.823 12.789 783 HG3 GLN 100 2HG GLN 100 5.226 -6.132 11.772 784 HE21 GLN 100 2HE2 GLN 100 6.295 -2.811 11.495 785 HE22 GLN 100 1HE2 GLN 100 7.904 -3.082 12.066 786 H ASP 101 H ASP 101 2.016 -6.522 11.806 787 HA ASP 101 HA ASP 101 0.252 -4.585 13.072 788 HB2 ASP 101 1HB ASP 101 -0.799 -6.596 12.278 789 HB3 ASP 101 2HB ASP 101 0.373 -7.604 13.117 790 H SER 102 H SER 102 -0.054 -4.589 15.391 791 HA SER 102 HA SER 102 2.417 -4.246 16.740 792 HB2 SER 102 1HB SER 102 0.394 -2.882 17.180 793 HB3 SER 102 2HB SER 102 -0.388 -4.300 17.873 794 HG SER 102 HG SER 102 1.981 -3.044 18.833 795 H PHE 103 H PHE 103 0.172 -6.913 16.518 796 HA PHE 103 HA PHE 103 1.173 -8.209 18.900 797 HB2 PHE 103 1HB PHE 103 -0.707 -9.176 16.738 798 HB3 PHE 103 2HB PHE 103 -0.282 -10.112 18.167 799 HD1 PHE 103 HD2 PHE 103 -0.889 -9.218 20.429 800 HD2 PHE 103 HD1 PHE 103 -2.370 -7.516 16.823 801 HE1 PHE 103 HE2 PHE 103 -2.689 -8.116 21.691 802 HE2 PHE 103 HE1 PHE 103 -4.173 -6.410 18.079 803 HZ PHE 103 HZ PHE 103 -4.334 -6.710 20.517 804 H GLY 104 H GLY 104 2.325 -7.851 15.796 805 HA2 GLY 104 1HA GLY 104 4.575 -8.590 15.412 806 HA3 GLY 104 2HA GLY 104 4.209 -10.049 16.317 807 H GLN 105 H GLN 105 1.648 -9.361 14.255 808 HA GLN 105 HA GLN 105 2.553 -11.419 12.411 809 HB2 GLN 105 1HB GLN 105 0.209 -11.437 13.308 810 HB3 GLN 105 2HB GLN 105 -0.095 -9.953 12.413 811 HG2 GLN 105 1HG GLN 105 0.488 -11.157 10.324 812 HG3 GLN 105 2HG GLN 105 0.625 -12.637 11.264 813 HE21 GLN 105 2HE2 GLN 105 -1.120 -12.004 9.045 814 HE22 GLN 105 1HE2 GLN 105 -2.740 -12.219 9.621 815 H LEU 106 H LEU 106 3.371 -11.021 10.452 816 HA LEU 106 HA LEU 106 3.238 -8.256 9.454 817 HB2 LEU 106 1HB LEU 106 5.498 -9.111 9.881 818 HB3 LEU 106 2HB LEU 106 5.199 -10.461 8.805 819 HG LEU 106 HG LEU 106 5.033 -8.928 6.900 820 HD11 LEU 106 1HD1 LEU 106 5.712 -6.776 8.901 821 HD12 LEU 106 2HD1 LEU 106 4.160 -6.975 8.088 822 HD13 LEU 106 3HD1 LEU 106 5.601 -6.573 7.154 823 HD21 LEU 106 3HD2 LEU 106 7.366 -8.299 6.789 824 HD22 LEU 106 1HD2 LEU 106 7.205 -9.884 7.544 825 HD23 LEU 106 2HD2 LEU 106 7.517 -8.460 8.540 826 H GLN 107 H GLN 107 2.007 -7.867 7.765 827 HA GLN 107 HA GLN 107 1.188 -10.124 6.051 828 HB2 GLN 107 1HB GLN 107 -0.675 -9.062 7.224 829 HB3 GLN 107 2HB GLN 107 -0.187 -7.487 6.620 830 HG2 GLN 107 1HG GLN 107 -2.071 -8.251 5.369 831 HG3 GLN 107 2HG GLN 107 -0.652 -8.261 4.325 832 HE21 GLN 107 2HE2 GLN 107 -2.976 -10.207 6.022 833 HE22 GLN 107 1HE2 GLN 107 -2.626 -11.690 5.205 834 H GLN 108 H GLN 108 2.386 -10.163 4.240 835 HA GLN 108 HA GLN 108 3.220 -7.587 3.093 836 HB2 GLN 108 1HB GLN 108 4.949 -8.855 1.880 837 HB3 GLN 108 2HB GLN 108 5.094 -9.019 3.623 838 HG2 GLN 108 1HG GLN 108 4.280 -11.226 3.588 839 HG3 GLN 108 2HG GLN 108 3.705 -11.070 1.928 840 HE21 GLN 108 2HE2 GLN 108 6.477 -11.553 3.977 841 HE22 GLN 108 1HE2 GLN 108 7.576 -12.009 2.716 842 H LEU 109 H LEU 109 2.589 -6.959 1.162 843 HA LEU 109 HA LEU 109 1.200 -8.886 -0.583 844 HB2 LEU 109 1HB LEU 109 0.442 -6.012 -0.035 845 HB3 LEU 109 2HB LEU 109 -0.267 -6.999 -1.297 846 HG LEU 109 HG LEU 109 -0.455 -7.599 1.659 847 HD11 LEU 109 1HD1 LEU 109 -1.685 -5.566 1.034 848 HD12 LEU 109 2HD1 LEU 109 -2.769 -6.885 1.474 849 HD13 LEU 109 3HD1 LEU 109 -2.524 -6.473 -0.224 850 HD21 LEU 109 3HD2 LEU 109 -1.839 -8.829 -0.720 851 HD22 LEU 109 1HD2 LEU 109 -2.128 -9.235 0.971 852 HD23 LEU 109 2HD2 LEU 109 -0.562 -9.583 0.235 853 H THR 110 H THR 110 2.529 -9.162 -2.267 854 HA THR 110 HA THR 110 4.227 -6.960 -3.145 855 HB THR 110 HB THR 110 4.198 -9.752 -4.285 856 HG1 THR 110 HG1 THR 110 5.392 -8.769 -1.884 857 HG21 THR 110 3HG2 THR 110 5.500 -8.094 -5.511 858 HG22 THR 110 1HG2 THR 110 6.572 -9.251 -4.721 859 HG23 THR 110 2HG2 THR 110 6.349 -7.643 -4.033 860 H PHE 111 H PHE 111 3.445 -5.628 -4.640 861 HA PHE 111 HA PHE 111 1.421 -6.641 -6.515 862 HB2 PHE 111 1HB PHE 111 2.097 -3.813 -5.683 863 HB3 PHE 111 2HB PHE 111 0.889 -4.236 -6.890 864 HD1 PHE 111 HD2 PHE 111 -1.096 -5.620 -6.168 865 HD2 PHE 111 HD1 PHE 111 1.573 -3.782 -3.409 866 HE1 PHE 111 HE2 PHE 111 -2.796 -5.811 -4.401 867 HE2 PHE 111 HE1 PHE 111 -0.124 -3.971 -1.638 868 HZ PHE 111 HZ PHE 111 -2.310 -4.987 -2.133 869 H SER 112 H SER 112 1.963 -6.955 -8.558 870 HA SER 112 HA SER 112 4.333 -5.587 -9.620 871 HB2 SER 112 1HB SER 112 4.219 -7.365 -11.409 872 HB3 SER 112 2HB SER 112 4.545 -7.977 -9.787 873 HG SER 112 HG SER 112 1.995 -7.907 -11.044 874 H PHE 113 H PHE 113 3.775 -3.771 -10.613 875 HA PHE 113 HA PHE 113 1.234 -3.631 -12.066 876 HB2 PHE 113 1HB PHE 113 3.167 -1.417 -11.346 877 HB3 PHE 113 2HB PHE 113 1.575 -1.212 -12.064 878 HD1 PHE 113 HD2 PHE 113 -0.437 -2.034 -10.695 879 HD2 PHE 113 HD1 PHE 113 3.434 -1.388 -9.051 880 HE1 PHE 113 HE2 PHE 113 -1.422 -1.849 -8.448 881 HE2 PHE 113 HE1 PHE 113 2.454 -1.202 -6.805 882 HZ PHE 113 HZ PHE 113 0.023 -1.432 -6.499 883 H ASN 114 H ASN 114 1.132 -3.047 -14.200 884 HA ASN 114 HA ASN 114 1.722 -2.797 -16.367 885 HB2 ASN 114 1HB ASN 114 3.135 -0.915 -15.460 886 HB3 ASN 114 2HB ASN 114 4.487 -2.041 -15.395 887 HD21 ASN 114 2HD2 ASN 114 5.716 -0.929 -16.873 888 HD22 ASN 114 1HD2 ASN 114 5.314 -0.858 -18.555 889 H ASN 115 H ASN 115 1.530 -5.260 -15.806 890 HA ASN 115 HA ASN 115 4.003 -6.645 -16.558 891 HB2 ASN 115 1HB ASN 115 3.070 -8.621 -15.731 892 HB3 ASN 115 2HB ASN 115 2.406 -7.416 -14.636 893 HD21 ASN 115 2HD2 ASN 115 1.741 -9.811 -16.980 894 HD22 ASN 115 1HD2 ASN 115 0.009 -9.684 -16.952 895 H ASP 116 H ASP 116 3.732 -8.394 -18.264 896 HA ASP 116 HA ASP 116 1.647 -7.746 -20.203 897 HB2 ASP 116 1HB ASP 116 3.818 -6.410 -20.639 898 HB3 ASP 116 2HB ASP 116 4.485 -7.955 -21.163 899 H SER 117 H SER 117 0.911 -9.454 -21.290 900 HA SER 117 HA SER 117 2.076 -12.053 -20.642 901 HB2 SER 117 1HB SER 117 -0.172 -12.829 -21.637 902 HB3 SER 117 2HB SER 117 -0.219 -11.967 -20.098 903 HG SER 117 HG SER 117 -1.080 -11.167 -22.622 904 H SER 118 H SER 118 2.722 -9.949 -22.894 905 HA SER 118 HA SER 118 3.556 -9.982 -24.992 906 HB2 SER 118 1HB SER 118 3.317 -12.997 -24.862 907 HB3 SER 118 2HB SER 118 4.330 -12.060 -25.965 908 HG SER 118 HG SER 118 4.764 -11.411 -23.358 909 H LYS 119 H LYS 119 2.972 -11.081 -27.306 910 HA LYS 119 HA LYS 119 1.436 -11.246 -28.971 911 HB2 LYS 119 1HB LYS 119 -0.453 -12.165 -26.790 912 HB3 LYS 119 2HB LYS 119 -0.675 -12.390 -28.519 913 HG2 LYS 119 1HG LYS 119 1.273 -13.840 -28.600 914 HG3 LYS 119 2HG LYS 119 1.546 -13.586 -26.876 915 HD2 LYS 119 1HD LYS 119 0.433 -15.705 -27.219 916 HD3 LYS 119 2HD LYS 119 -0.664 -14.587 -26.410 917 HE2 LYS 119 1HE LYS 119 -1.797 -14.134 -28.499 918 HE3 LYS 119 2HE LYS 119 -0.646 -15.140 -29.376 919 HZ1 LYS 119 3HZ LYS 119 -1.442 -17.032 -27.974 920 HZ2 LYS 119 1HZ LYS 119 -2.598 -16.406 -29.047 921 HZ3 LYS 119 2HZ LYS 119 -2.679 -16.021 -27.398 922 H GLU 120 H GLU 120 1.864 -8.775 -28.040 923 HA GLU 120 HA GLU 120 -0.003 -7.211 -26.865 924 HB2 GLU 120 1HB GLU 120 1.564 -6.402 -29.314 925 HB3 GLU 120 2HB GLU 120 0.854 -5.312 -28.136 926 HG2 GLU 120 1HG GLU 120 3.069 -5.339 -27.521 927 HG3 GLU 120 2HG GLU 120 2.368 -6.544 -26.440 928 H GLU 121 H GLU 121 0.114 -7.644 -30.416 929 HA GLU 121 HA GLU 121 -2.703 -6.791 -30.488 930 HB2 GLU 121 1HB GLU 121 -0.495 -6.627 -32.515 931 HB3 GLU 121 2HB GLU 121 -2.177 -6.574 -33.019 932 HG2 GLU 121 1HG GLU 121 -1.457 -4.342 -32.848 933 HG3 GLU 121 2HG GLU 121 -2.481 -4.642 -31.448 934 H GLU 122 H GLU 122 -0.872 -9.513 -30.511 935 HA GLU 122 HA GLU 122 -2.114 -11.018 -32.573 936 HB2 GLU 122 1HB GLU 122 0.089 -11.569 -31.540 937 HB3 GLU 122 2HB GLU 122 -0.760 -12.060 -30.082 938 HG2 GLU 122 1HG GLU 122 -1.670 -13.937 -31.085 939 HG3 GLU 122 2HG GLU 122 -1.445 -13.297 -32.712 940 H LEU 123 H LEU 123 -2.914 -10.357 -29.217 941 HA LEU 123 HA LEU 123 -5.252 -12.033 -29.240 942 HB2 LEU 123 1HB LEU 123 -4.229 -9.862 -27.458 943 HB3 LEU 123 2HB LEU 123 -5.926 -10.286 -27.370 944 HG LEU 123 HG LEU 123 -5.237 -12.648 -26.889 945 HD11 LEU 123 1HD1 LEU 123 -2.509 -11.409 -26.602 946 HD12 LEU 123 2HD1 LEU 123 -2.998 -12.571 -27.835 947 HD13 LEU 123 3HD1 LEU 123 -2.955 -13.049 -26.138 948 HD21 LEU 123 3HD2 LEU 123 -4.255 -10.546 -24.967 949 HD22 LEU 123 1HD2 LEU 123 -4.659 -12.214 -24.564 950 HD23 LEU 123 2HD2 LEU 123 -5.918 -11.112 -25.120 951 H GLU 124 H GLU 124 -6.610 -11.646 -30.889 952 HA GLU 124 HA GLU 124 -6.829 -9.066 -32.064 953 HB2 GLU 124 1HB GLU 124 -8.126 -11.707 -32.618 954 HB3 GLU 124 2HB GLU 124 -8.678 -10.246 -33.427 955 HG2 GLU 124 1HG GLU 124 -5.858 -10.322 -33.615 956 HG3 GLU 124 2HG GLU 124 -6.475 -11.911 -34.070 957 H HIS 125 H HIS 125 -7.548 -7.988 -30.094 958 HA HIS 125 HA HIS 125 -10.492 -7.879 -30.108 959 HB2 HIS 125 1HB HIS 125 -9.291 -8.132 -27.860 960 HB3 HIS 125 2HB HIS 125 -8.646 -6.516 -28.123 961 HD1 HIS 125 HD1 HIS 125 -11.861 -8.337 -27.439 962 HD2 HIS 125 HD2 HIS 125 -10.410 -4.440 -27.594 963 HE1 HIS 125 HE1 HIS 125 -13.669 -6.897 -26.442 964 HE2 HIS 125 HE2 HIS 125 -12.651 -4.597 -26.312 965 H HIS 126 H HIS 126 -10.098 -6.989 -32.269 966 HA HIS 126 HA HIS 126 -8.354 -4.758 -32.596 967 HB2 HIS 126 1HB HIS 126 -9.542 -6.684 -34.265 968 HB3 HIS 126 2HB HIS 126 -10.111 -5.119 -34.841 969 HD1 HIS 126 HD1 HIS 126 -7.409 -7.412 -35.286 970 HD2 HIS 126 HD2 HIS 126 -7.738 -3.260 -35.173 971 HE1 HIS 126 HE1 HIS 126 -5.350 -6.531 -36.428 972 HE2 HIS 126 HE2 HIS 126 -5.639 -4.033 -36.481 973 H HIS 127 H HIS 127 -11.701 -5.044 -31.848 974 HA HIS 127 HA HIS 127 -12.413 -2.479 -32.937 975 HB2 HIS 127 1HB HIS 127 -14.119 -4.235 -32.678 976 HB3 HIS 127 2HB HIS 127 -13.896 -4.195 -30.932 977 HD1 HIS 127 HD1 HIS 127 -15.435 -2.702 -29.694 978 HD2 HIS 127 HD2 HIS 127 -15.076 -1.590 -33.688 979 HE1 HIS 127 HE1 HIS 127 -17.067 -0.818 -30.024 980 HE2 HIS 127 HE2 HIS 127 -16.703 -0.042 -32.391 981 H HIS 128 H HIS 128 -11.416 -0.770 -32.135 982 HA HIS 128 HA HIS 128 -11.069 -0.535 -29.234 983 HB2 HIS 128 1HB HIS 128 -9.957 1.072 -31.544 984 HB3 HIS 128 2HB HIS 128 -9.752 1.536 -29.859 985 HD1 HIS 128 HD1 HIS 128 -7.939 0.377 -28.534 986 HD2 HIS 128 HD2 HIS 128 -8.537 -1.296 -32.299 987 HE1 HIS 128 HE1 HIS 128 -6.042 -1.239 -28.872 988 HE2 HIS 128 HE2 HIS 128 -6.307 -2.073 -31.239 989 H HIS 129 H HIS 129 -11.887 1.277 -28.099 990 HA HIS 129 HA HIS 129 -14.150 2.561 -29.489 991 HB2 HIS 129 1HB HIS 129 -15.424 2.528 -27.471 992 HB3 HIS 129 2HB HIS 129 -14.775 0.908 -27.685 993 HD1 HIS 129 HD1 HIS 129 -13.106 0.055 -25.891 994 HD2 HIS 129 HD2 HIS 129 -14.406 3.964 -25.283 995 HE1 HIS 129 HE1 HIS 129 -12.371 0.667 -23.565 996 HE2 HIS 129 HE2 HIS 129 -13.146 3.043 -23.220 997 H HIS 130 H HIS 130 -14.827 4.649 -28.407 998 HA HIS 130 HA HIS 130 -12.452 6.256 -27.866 999 HB2 HIS 130 1HB HIS 130 -13.950 7.129 -29.562 1000 HB3 HIS 130 2HB HIS 130 -15.317 7.023 -28.459 1001 HD1 HIS 130 HD1 HIS 130 -15.907 9.142 -27.373 1002 HD2 HIS 130 HD2 HIS 130 -11.910 9.054 -28.487 1003 HE1 HIS 130 HE1 HIS 130 -14.995 11.410 -26.781 1004 HE2 HIS 130 HE2 HIS 130 -12.661 11.413 -27.739 Start of MODEL 2 1 H1 MET 1 1H MET 1 16.501 -11.808 12.468 2 H2 MET 1 2H MET 1 16.339 -11.724 10.783 3 H3 MET 1 3H MET 1 16.400 -13.234 11.552 4 HA MET 1 HA MET 1 14.333 -12.684 12.732 5 HB2 MET 1 1HB MET 1 14.519 -10.254 12.582 6 HB3 MET 1 2HB MET 1 14.377 -10.331 10.831 7 HG2 MET 1 1HG MET 1 12.290 -9.630 11.815 8 HG3 MET 1 2HG MET 1 12.106 -11.210 11.056 9 HE1 MET 1 3HE MET 1 9.971 -10.028 13.095 10 HE2 MET 1 1HE MET 1 9.645 -11.453 14.082 11 HE3 MET 1 2HE MET 1 9.834 -11.615 12.337 12 H ASN 2 H ASN 2 13.899 -14.666 11.831 13 HA ASN 2 HA ASN 2 11.999 -14.658 9.718 14 HB2 ASN 2 1HB ASN 2 13.101 -15.603 7.931 15 HB3 ASN 2 2HB ASN 2 14.432 -14.674 8.613 16 HD21 ASN 2 2HD2 ASN 2 15.999 -15.786 9.884 17 HD22 ASN 2 1HD2 ASN 2 16.266 -17.485 9.663 18 H ASP 3 H ASP 3 13.312 -15.776 12.424 19 HA ASP 3 HA ASP 3 12.729 -18.596 12.141 20 HB2 ASP 3 1HB ASP 3 13.639 -18.653 14.499 21 HB3 ASP 3 2HB ASP 3 14.764 -18.103 13.262 22 H ASP 4 H ASP 4 12.094 -18.807 15.046 23 HA ASP 4 HA ASP 4 9.259 -18.761 14.570 24 HB2 ASP 4 1HB ASP 4 9.015 -20.092 16.531 25 HB3 ASP 4 2HB ASP 4 10.426 -20.693 15.674 26 H VAL 5 H VAL 5 7.935 -17.259 15.084 27 HA VAL 5 HA VAL 5 8.234 -15.834 17.642 28 HB VAL 5 HB VAL 5 7.071 -14.487 15.192 29 HG11 VAL 5 1HG1 VAL 5 8.097 -13.367 17.796 30 HG12 VAL 5 2HG1 VAL 5 6.404 -13.583 17.355 31 HG13 VAL 5 3HG1 VAL 5 7.407 -12.434 16.469 32 HG21 VAL 5 3HG2 VAL 5 9.148 -13.235 14.916 33 HG22 VAL 5 1HG2 VAL 5 9.409 -14.963 14.674 34 HG23 VAL 5 2HG2 VAL 5 9.906 -14.196 16.184 35 H ASP 6 H ASP 6 6.929 -18.212 16.590 36 HA ASP 6 HA ASP 6 4.145 -17.436 16.120 37 HB2 ASP 6 1HB ASP 6 5.578 -20.019 15.464 38 HB3 ASP 6 2HB ASP 6 3.938 -19.592 14.986 39 H ILE 7 H ILE 7 6.016 -18.572 18.618 40 HA ILE 7 HA ILE 7 4.349 -20.587 19.705 41 HB ILE 7 HB ILE 7 6.224 -18.669 21.109 42 HG12 ILE 7 1HG1 ILE 7 7.340 -20.184 19.539 43 HG13 ILE 7 2HG1 ILE 7 7.736 -20.611 21.202 44 HG21 ILE 7 1HG2 ILE 7 6.122 -20.208 23.015 45 HG22 ILE 7 2HG2 ILE 7 4.869 -21.137 22.189 46 HG23 ILE 7 3HG2 ILE 7 4.554 -19.471 22.678 47 HD11 ILE 7 3HD1 ILE 7 6.091 -22.430 21.105 48 HD12 ILE 7 1HD1 ILE 7 7.350 -22.593 19.880 49 HD13 ILE 7 2HD1 ILE 7 5.747 -22.012 19.426 50 H GLN 8 H GLN 8 2.294 -20.330 20.132 51 HA GLN 8 HA GLN 8 0.280 -19.433 20.615 52 HB2 GLN 8 1HB GLN 8 1.468 -19.211 22.874 53 HB3 GLN 8 2HB GLN 8 1.688 -17.514 22.466 54 HG2 GLN 8 1HG GLN 8 -0.727 -17.235 22.286 55 HG3 GLN 8 2HG GLN 8 -0.955 -18.938 22.679 56 HE21 GLN 8 2HE2 GLN 8 -2.121 -18.568 24.507 57 HE22 GLN 8 1HE2 GLN 8 -1.427 -17.910 25.957 58 H GLN 9 H GLN 9 0.863 -18.642 18.327 59 HA GLN 9 HA GLN 9 1.248 -15.863 17.902 60 HB2 GLN 9 1HB GLN 9 0.492 -16.405 15.571 61 HB3 GLN 9 2HB GLN 9 1.833 -17.380 16.153 62 HG2 GLN 9 1HG GLN 9 0.238 -19.189 16.691 63 HG3 GLN 9 2HG GLN 9 -1.056 -18.216 15.996 64 HE21 GLN 9 2HE2 GLN 9 0.573 -17.171 13.844 65 HE22 GLN 9 1HE2 GLN 9 0.812 -18.472 12.729 66 H SER 10 H SER 10 -0.257 -14.298 17.235 67 HA SER 10 HA SER 10 -2.818 -14.536 18.504 68 HB2 SER 10 1HB SER 10 -3.128 -12.193 17.579 69 HB3 SER 10 2HB SER 10 -1.748 -12.409 18.656 70 HG SER 10 HG SER 10 -1.291 -12.802 15.935 71 H TYR 11 H TYR 11 -4.832 -13.917 17.352 72 HA TYR 11 HA TYR 11 -5.289 -15.642 15.161 73 HB2 TYR 11 1HB TYR 11 -7.032 -13.394 16.203 74 HB3 TYR 11 2HB TYR 11 -7.557 -14.715 15.163 75 HD1 TYR 11 HD2 TYR 11 -6.543 -13.782 18.560 76 HD2 TYR 11 HD1 TYR 11 -7.918 -16.937 16.059 77 HE1 TYR 11 HE2 TYR 11 -7.052 -15.128 20.550 78 HE2 TYR 11 HE1 TYR 11 -8.431 -18.293 18.045 79 HH TYR 11 HH TYR 11 -8.265 -16.966 21.273 80 HA PRO 12 HA PRO 12 -3.607 -12.936 12.069 81 HB2 PRO 12 1HB PRO 12 -4.441 -14.406 9.907 82 HB3 PRO 12 2HB PRO 12 -2.999 -14.770 10.861 83 HG2 PRO 12 1HG PRO 12 -5.725 -15.987 10.999 84 HG3 PRO 12 2HG PRO 12 -4.137 -16.771 11.112 85 HD2 PRO 12 1HD PRO 12 -5.640 -16.258 13.287 86 HD3 PRO 12 2HD PRO 12 -3.867 -16.187 13.328 87 H PHE 13 H PHE 13 -4.455 -11.102 11.412 88 HA PHE 13 HA PHE 13 -7.281 -10.938 10.712 89 HB2 PHE 13 1HB PHE 13 -6.860 -8.469 10.693 90 HB3 PHE 13 2HB PHE 13 -6.515 -9.231 12.241 91 HD1 PHE 13 HD1 PHE 13 -4.157 -9.612 12.921 92 HD2 PHE 13 HD2 PHE 13 -5.177 -7.352 9.466 93 HE1 PHE 13 HE1 PHE 13 -1.903 -8.634 12.903 94 HE2 PHE 13 HE2 PHE 13 -2.919 -6.371 9.438 95 HZ PHE 13 HZ PHE 13 -1.277 -7.012 11.158 96 H SER 14 H SER 14 -7.957 -10.002 8.693 97 HA SER 14 HA SER 14 -5.999 -10.596 6.581 98 HB2 SER 14 1HB SER 14 -8.049 -12.029 6.665 99 HB3 SER 14 2HB SER 14 -9.017 -10.590 6.354 100 HG SER 14 HG SER 14 -6.904 -11.145 4.602 101 H ILE 15 H ILE 15 -5.171 -8.879 5.622 102 HA ILE 15 HA ILE 15 -6.796 -6.436 5.375 103 HB ILE 15 HB ILE 15 -3.825 -6.818 4.924 104 HG12 ILE 15 1HG1 ILE 15 -5.311 -5.523 7.223 105 HG13 ILE 15 2HG1 ILE 15 -4.453 -7.059 7.289 106 HG21 ILE 15 1HG2 ILE 15 -4.787 -5.022 3.568 107 HG22 ILE 15 2HG2 ILE 15 -3.718 -4.388 4.822 108 HG23 ILE 15 3HG2 ILE 15 -5.469 -4.290 5.021 109 HD11 ILE 15 3HD1 ILE 15 -3.197 -4.382 6.744 110 HD12 ILE 15 1HD1 ILE 15 -2.352 -5.924 6.871 111 HD13 ILE 15 2HD1 ILE 15 -3.163 -5.243 8.282 112 H GLU 16 H GLU 16 -7.921 -6.395 3.508 113 HA GLU 16 HA GLU 16 -6.771 -7.752 1.175 114 HB2 GLU 16 1HB GLU 16 -8.993 -7.797 0.240 115 HB3 GLU 16 2HB GLU 16 -9.057 -8.403 1.891 116 HG2 GLU 16 1HG GLU 16 -10.062 -6.431 2.683 117 HG3 GLU 16 2HG GLU 16 -9.694 -5.556 1.196 118 H THR 17 H THR 17 -6.845 -6.780 -0.887 119 HA THR 17 HA THR 17 -7.208 -3.864 -0.949 120 HB THR 17 HB THR 17 -5.337 -3.797 -2.643 121 HG1 THR 17 HG1 THR 17 -5.125 -5.951 -3.196 122 HG21 THR 17 3HG2 THR 17 -3.527 -3.880 -0.969 123 HG22 THR 17 1HG2 THR 17 -4.620 -4.694 0.150 124 HG23 THR 17 2HG2 THR 17 -4.956 -3.040 -0.364 125 H MET 18 H MET 18 -8.009 -3.060 -2.967 126 HA MET 18 HA MET 18 -9.597 -4.937 -4.436 127 HB2 MET 18 1HB MET 18 -10.350 -3.041 -5.740 128 HB3 MET 18 2HB MET 18 -10.331 -2.603 -4.041 129 HG2 MET 18 1HG MET 18 -9.439 -0.734 -4.983 130 HG3 MET 18 2HG MET 18 -7.976 -1.642 -4.618 131 HE1 MET 18 3HE MET 18 -9.853 -1.315 -8.822 132 HE2 MET 18 1HE MET 18 -10.534 -0.587 -7.368 133 HE3 MET 18 2HE MET 18 -10.546 -2.339 -7.564 134 HA PRO 19 HA PRO 19 -6.779 -6.190 -7.599 135 HB2 PRO 19 1HB PRO 19 -8.969 -5.887 -9.561 136 HB3 PRO 19 2HB PRO 19 -8.051 -7.328 -9.114 137 HG2 PRO 19 1HG PRO 19 -10.595 -7.012 -8.351 138 HG3 PRO 19 2HG PRO 19 -9.401 -7.784 -7.291 139 HD2 PRO 19 1HD PRO 19 -10.499 -5.002 -7.204 140 HD3 PRO 19 2HD PRO 19 -10.149 -6.116 -5.866 141 H VAL 20 H VAL 20 -5.300 -4.680 -8.054 142 HA VAL 20 HA VAL 20 -5.969 -2.138 -9.211 143 HB VAL 20 HB VAL 20 -3.541 -1.711 -9.165 144 HG11 VAL 20 1HG1 VAL 20 -3.264 -1.785 -6.733 145 HG12 VAL 20 2HG1 VAL 20 -4.632 -2.890 -6.616 146 HG13 VAL 20 3HG1 VAL 20 -4.879 -1.241 -7.189 147 HG21 VAL 20 3HG2 VAL 20 -3.316 -4.515 -8.072 148 HG22 VAL 20 1HG2 VAL 20 -2.007 -3.343 -8.201 149 HG23 VAL 20 2HG2 VAL 20 -2.763 -3.982 -9.660 150 HA PRO 21 HA PRO 21 -5.336 -2.831 -13.548 151 HB2 PRO 21 1HB PRO 21 -3.271 -0.693 -13.502 152 HB3 PRO 21 2HB PRO 21 -4.727 -0.830 -14.494 153 HG2 PRO 21 1HG PRO 21 -4.619 0.891 -12.462 154 HG3 PRO 21 2HG PRO 21 -6.104 -0.009 -12.825 155 HD2 PRO 21 1HD PRO 21 -4.084 -0.467 -10.665 156 HD3 PRO 21 2HD PRO 21 -5.852 -0.629 -10.611 157 H LYS 22 H LYS 22 -3.912 -3.819 -14.985 158 HA LYS 22 HA LYS 22 -1.777 -5.222 -13.629 159 HB2 LYS 22 1HB LYS 22 -2.702 -5.511 -16.491 160 HB3 LYS 22 2HB LYS 22 -1.725 -6.654 -15.575 161 HG2 LYS 22 1HG LYS 22 -3.688 -6.829 -13.973 162 HG3 LYS 22 2HG LYS 22 -4.624 -5.964 -15.193 163 HD2 LYS 22 1HD LYS 22 -4.965 -8.347 -15.433 164 HD3 LYS 22 2HD LYS 22 -4.072 -7.733 -16.825 165 HE2 LYS 22 1HE LYS 22 -3.176 -9.866 -15.976 166 HE3 LYS 22 2HE LYS 22 -1.999 -8.557 -15.914 167 HZ1 LYS 22 3HZ LYS 22 -3.534 -9.713 -13.647 168 HZ2 LYS 22 1HZ LYS 22 -2.627 -8.282 -13.527 169 HZ3 LYS 22 2HZ LYS 22 -1.857 -9.745 -13.894 170 H LYS 23 H LYS 23 -2.027 -2.452 -15.514 171 HA LYS 23 HA LYS 23 0.854 -2.183 -15.538 172 HB2 LYS 23 1HB LYS 23 0.952 -1.510 -17.906 173 HB3 LYS 23 2HB LYS 23 0.466 -3.189 -17.725 174 HG2 LYS 23 1HG LYS 23 -1.877 -2.531 -18.077 175 HG3 LYS 23 2HG LYS 23 -1.355 -0.863 -18.315 176 HD2 LYS 23 1HD LYS 23 -0.048 -1.518 -20.248 177 HD3 LYS 23 2HD LYS 23 -0.465 -3.212 -19.982 178 HE2 LYS 23 1HE LYS 23 -2.384 -0.984 -20.656 179 HE3 LYS 23 2HE LYS 23 -1.834 -2.252 -21.751 180 HZ1 LYS 23 3HZ LYS 23 -3.961 -2.867 -20.933 181 HZ2 LYS 23 1HZ LYS 23 -3.511 -2.579 -19.326 182 HZ3 LYS 23 2HZ LYS 23 -2.832 -3.880 -20.175 183 H LEU 24 H LEU 24 1.510 0.052 -15.843 184 HA LEU 24 HA LEU 24 -0.664 1.989 -15.524 185 HB2 LEU 24 1HB LEU 24 1.680 1.618 -13.669 186 HB3 LEU 24 2HB LEU 24 0.712 3.077 -13.704 187 HG LEU 24 HG LEU 24 -0.367 0.332 -13.063 188 HD11 LEU 24 1HD1 LEU 24 1.210 1.109 -11.363 189 HD12 LEU 24 2HD1 LEU 24 -0.446 1.120 -10.755 190 HD13 LEU 24 3HD1 LEU 24 0.328 2.632 -11.237 191 HD21 LEU 24 3HD2 LEU 24 -2.019 1.865 -14.014 192 HD22 LEU 24 1HD2 LEU 24 -1.581 3.082 -12.815 193 HD23 LEU 24 2HD2 LEU 24 -2.331 1.568 -12.303 194 H LYS 25 H LYS 25 -0.330 3.883 -16.501 195 HA LYS 25 HA LYS 25 2.079 4.317 -18.052 196 HB2 LYS 25 1HB LYS 25 -0.072 4.947 -18.996 197 HB3 LYS 25 2HB LYS 25 -0.414 5.979 -17.618 198 HG2 LYS 25 1HG LYS 25 1.543 7.382 -18.277 199 HG3 LYS 25 2HG LYS 25 1.666 6.414 -19.746 200 HD2 LYS 25 1HD LYS 25 -0.609 7.068 -20.366 201 HD3 LYS 25 2HD LYS 25 -0.732 8.028 -18.888 202 HE2 LYS 25 1HE LYS 25 1.281 8.471 -21.093 203 HE3 LYS 25 2HE LYS 25 -0.199 9.401 -20.867 204 HZ1 LYS 25 3HZ LYS 25 1.966 9.216 -18.843 205 HZ2 LYS 25 1HZ LYS 25 0.611 10.232 -18.797 206 HZ3 LYS 25 2HZ LYS 25 1.819 10.477 -19.961 207 H VAL 26 H VAL 26 3.506 6.153 -17.773 208 HA VAL 26 HA VAL 26 4.034 6.940 -15.100 209 HB VAL 26 HB VAL 26 4.925 8.300 -17.655 210 HG11 VAL 26 1HG1 VAL 26 5.173 9.730 -15.694 211 HG12 VAL 26 2HG1 VAL 26 6.745 9.207 -16.296 212 HG13 VAL 26 3HG1 VAL 26 6.054 8.448 -14.862 213 HG21 VAL 26 3HG2 VAL 26 6.299 6.179 -16.007 214 HG22 VAL 26 1HG2 VAL 26 6.985 7.001 -17.407 215 HG23 VAL 26 2HG2 VAL 26 5.583 5.950 -17.601 216 H GLY 27 H GLY 27 2.962 8.352 -13.907 217 HA2 GLY 27 1HA GLY 27 1.960 10.477 -13.506 218 HA3 GLY 27 2HA GLY 27 1.542 10.572 -15.213 219 H GLU 28 H GLU 28 0.730 7.611 -14.899 220 HA GLU 28 HA GLU 28 -2.050 8.163 -14.407 221 HB2 GLU 28 1HB GLU 28 -1.359 6.626 -16.191 222 HB3 GLU 28 2HB GLU 28 -0.616 5.568 -15.007 223 HG2 GLU 28 1HG GLU 28 -2.718 4.957 -14.102 224 HG3 GLU 28 2HG GLU 28 -3.548 6.213 -15.022 225 H THR 29 H THR 29 -3.160 7.818 -12.575 226 HA THR 29 HA THR 29 -1.674 6.659 -10.319 227 HB THR 29 HB THR 29 -3.962 8.639 -10.260 228 HG1 THR 29 HG1 THR 29 -1.571 9.134 -10.957 229 HG21 THR 29 3HG2 THR 29 -3.402 8.883 -7.885 230 HG22 THR 29 1HG2 THR 29 -2.173 7.624 -8.043 231 HG23 THR 29 2HG2 THR 29 -3.876 7.228 -8.257 232 H ALA 30 H ALA 30 -2.408 4.896 -9.359 233 HA ALA 30 HA ALA 30 -5.080 3.906 -10.102 234 HB1 ALA 30 3HB ALA 30 -4.201 1.677 -9.493 235 HB2 ALA 30 1HB ALA 30 -2.634 2.412 -9.152 236 HB3 ALA 30 2HB ALA 30 -3.281 2.434 -10.795 237 H GLU 31 H GLU 31 -6.592 3.713 -8.538 238 HA GLU 31 HA GLU 31 -5.843 4.413 -5.822 239 HB2 GLU 31 1HB GLU 31 -7.877 5.419 -6.728 240 HB3 GLU 31 2HB GLU 31 -8.564 3.821 -7.011 241 HG2 GLU 31 1HG GLU 31 -8.552 3.384 -4.615 242 HG3 GLU 31 2HG GLU 31 -7.842 4.971 -4.323 243 H ILE 32 H ILE 32 -5.211 2.939 -4.444 244 HA ILE 32 HA ILE 32 -6.141 0.172 -4.750 245 HB ILE 32 HB ILE 32 -3.945 1.222 -2.949 246 HG12 ILE 32 1HG1 ILE 32 -3.706 -0.144 -5.642 247 HG13 ILE 32 2HG1 ILE 32 -3.426 1.570 -5.351 248 HG21 ILE 32 1HG2 ILE 32 -4.903 -0.880 -2.198 249 HG22 ILE 32 2HG2 ILE 32 -3.278 -1.144 -2.832 250 HG23 ILE 32 3HG2 ILE 32 -4.684 -1.577 -3.802 251 HD11 ILE 32 3HD1 ILE 32 -1.841 -0.701 -4.175 252 HD12 ILE 32 1HD1 ILE 32 -1.551 1.015 -3.891 253 HD13 ILE 32 2HD1 ILE 32 -1.340 0.340 -5.507 254 H ARG 33 H ARG 33 -8.116 0.135 -3.781 255 HA ARG 33 HA ARG 33 -8.580 1.437 -1.252 256 HB2 ARG 33 1HB ARG 33 -10.338 -0.619 -2.592 257 HB3 ARG 33 2HB ARG 33 -10.812 0.570 -1.388 258 HG2 ARG 33 1HG ARG 33 -10.207 2.339 -3.089 259 HG3 ARG 33 2HG ARG 33 -10.093 1.029 -4.266 260 HD2 ARG 33 1HD ARG 33 -12.501 1.959 -2.733 261 HD3 ARG 33 2HD ARG 33 -12.274 1.887 -4.479 262 HE ARG 33 HE ARG 33 -12.751 -0.410 -2.698 263 HH11 ARG 33 1HH1 ARG 33 -12.494 0.910 -5.941 264 HH12 ARG 33 2HH1 ARG 33 -13.330 -0.427 -6.680 265 HH21 ARG 33 1HH2 ARG 33 -13.898 -2.131 -3.663 266 HH22 ARG 33 2HH2 ARG 33 -14.128 -2.155 -5.387 267 H CYS 34 H CYS 34 -8.308 0.563 0.709 268 HA CYS 34 HA CYS 34 -7.660 -2.306 0.807 269 HB2 CYS 34 1HB CYS 34 -5.763 -0.630 1.176 270 HB3 CYS 34 2HB CYS 34 -6.567 -0.225 2.690 271 HG CYS 34 HG CYS 34 -5.945 -3.494 2.165 272 H GLN 35 H GLN 35 -8.316 -3.462 2.651 273 HA GLN 35 HA GLN 35 -10.143 -2.104 4.494 274 HB2 GLN 35 1HB GLN 35 -11.165 -3.473 2.386 275 HB3 GLN 35 2HB GLN 35 -11.017 -4.773 3.557 276 HG2 GLN 35 1HG GLN 35 -12.495 -2.196 4.031 277 HG3 GLN 35 2HG GLN 35 -13.241 -3.706 3.521 278 HE21 GLN 35 2HE2 GLN 35 -13.774 -2.148 5.886 279 HE22 GLN 35 1HE2 GLN 35 -13.445 -3.174 7.246 280 H LEU 36 H LEU 36 -9.289 -2.471 6.407 281 HA LEU 36 HA LEU 36 -7.730 -4.870 6.926 282 HB2 LEU 36 1HB LEU 36 -6.872 -2.722 7.682 283 HB3 LEU 36 2HB LEU 36 -8.332 -2.433 8.605 284 HG LEU 36 HG LEU 36 -7.184 -4.897 9.485 285 HD11 LEU 36 1HD1 LEU 36 -5.052 -4.068 10.349 286 HD12 LEU 36 2HD1 LEU 36 -5.287 -2.553 9.478 287 HD13 LEU 36 3HD1 LEU 36 -5.075 -4.059 8.585 288 HD21 LEU 36 3HD2 LEU 36 -7.103 -3.680 11.626 289 HD22 LEU 36 1HD2 LEU 36 -8.655 -3.496 10.807 290 HD23 LEU 36 2HD2 LEU 36 -7.480 -2.183 10.770 291 H HIS 37 H HIS 37 -8.839 -6.652 7.432 292 HA HIS 37 HA HIS 37 -11.415 -6.417 8.778 293 HB2 HIS 37 1HB HIS 37 -9.995 -8.764 7.516 294 HB3 HIS 37 2HB HIS 37 -11.526 -8.907 8.369 295 HD1 HIS 37 HD1 HIS 37 -13.631 -8.029 7.175 296 HD2 HIS 37 HD2 HIS 37 -10.130 -7.586 4.984 297 HE1 HIS 37 HE1 HIS 37 -14.367 -7.470 4.836 298 HE2 HIS 37 HE2 HIS 37 -12.234 -7.373 3.489 299 H ARG 38 H ARG 38 -11.202 -6.140 10.929 300 HA ARG 38 HA ARG 38 -9.402 -7.836 12.455 301 HB2 ARG 38 1HB ARG 38 -11.472 -5.798 13.306 302 HB3 ARG 38 2HB ARG 38 -10.495 -6.726 14.435 303 HG2 ARG 38 1HG ARG 38 -8.471 -5.734 13.510 304 HG3 ARG 38 2HG ARG 38 -9.444 -4.813 12.361 305 HD2 ARG 38 1HD ARG 38 -10.544 -3.658 14.206 306 HD3 ARG 38 2HD ARG 38 -9.613 -4.606 15.366 307 HE ARG 38 HE ARG 38 -7.625 -3.467 14.591 308 HH11 ARG 38 1HH1 ARG 38 -10.698 -2.103 13.621 309 HH12 ARG 38 2HH1 ARG 38 -10.044 -0.531 13.274 310 HH21 ARG 38 1HH2 ARG 38 -6.768 -1.370 14.194 311 HH22 ARG 38 2HH2 ARG 38 -7.812 -0.110 13.604 312 H ASP 39 H ASP 39 -10.022 -9.639 13.624 313 HA ASP 39 HA ASP 39 -12.829 -10.448 13.255 314 HB2 ASP 39 1HB ASP 39 -11.217 -11.709 11.825 315 HB3 ASP 39 2HB ASP 39 -10.454 -12.318 13.293 316 H GLY 40 H GLY 40 -10.165 -11.918 15.106 317 HA2 GLY 40 1HA GLY 40 -11.952 -12.639 17.197 318 HA3 GLY 40 2HA GLY 40 -10.212 -12.859 17.202 319 H ARG 41 H ARG 41 -10.361 -9.748 16.618 320 HA ARG 41 HA ARG 41 -10.009 -7.851 17.785 321 HB2 ARG 41 1HB ARG 41 -11.841 -9.090 19.844 322 HB3 ARG 41 2HB ARG 41 -11.371 -7.396 19.772 323 HG2 ARG 41 1HG ARG 41 -12.383 -7.522 17.369 324 HG3 ARG 41 2HG ARG 41 -13.227 -8.928 18.021 325 HD2 ARG 41 1HD ARG 41 -14.592 -6.940 18.267 326 HD3 ARG 41 2HD ARG 41 -14.093 -7.538 19.851 327 HE ARG 41 HE ARG 41 -12.583 -5.717 20.033 328 HH11 ARG 41 1HH1 ARG 41 -14.593 -5.581 17.158 329 HH12 ARG 41 2HH1 ARG 41 -14.311 -3.883 16.900 330 HH21 ARG 41 1HH2 ARG 41 -12.218 -3.499 19.685 331 HH22 ARG 41 2HH2 ARG 41 -12.959 -2.697 18.330 332 H PHE 42 H PHE 42 -7.939 -7.770 18.312 333 HA PHE 42 HA PHE 42 -7.107 -9.058 20.814 334 HB2 PHE 42 1HB PHE 42 -4.775 -9.028 19.539 335 HB3 PHE 42 2HB PHE 42 -5.910 -10.362 19.363 336 HD1 PHE 42 HD2 PHE 42 -4.589 -7.318 17.762 337 HD2 PHE 42 HD1 PHE 42 -6.973 -10.806 17.292 338 HE1 PHE 42 HE2 PHE 42 -4.636 -6.955 15.328 339 HE2 PHE 42 HE1 PHE 42 -7.026 -10.451 14.858 340 HZ PHE 42 HZ PHE 42 -5.857 -8.522 13.874 341 H GLU 43 H GLU 43 -7.969 -6.820 21.371 342 HA GLU 43 HA GLU 43 -7.504 -4.878 22.443 343 HB2 GLU 43 1HB GLU 43 -4.632 -5.560 21.802 344 HB3 GLU 43 2HB GLU 43 -5.142 -4.256 22.865 345 HG2 GLU 43 1HG GLU 43 -6.030 -5.791 24.447 346 HG3 GLU 43 2HG GLU 43 -5.823 -7.146 23.335 347 H GLU 44 H GLU 44 -6.192 -2.700 22.054 348 HA GLU 44 HA GLU 44 -6.741 -1.931 19.301 349 HB2 GLU 44 1HB GLU 44 -6.012 -0.312 21.745 350 HB3 GLU 44 2HB GLU 44 -6.235 0.386 20.147 351 HG2 GLU 44 1HG GLU 44 -8.546 -0.420 20.125 352 HG3 GLU 44 2HG GLU 44 -8.318 -1.092 21.740 353 H THR 45 H THR 45 -4.856 -3.528 18.959 354 HA THR 45 HA THR 45 -2.201 -2.667 19.369 355 HB THR 45 HB THR 45 -2.607 -4.983 18.932 356 HG1 THR 45 HG1 THR 45 -1.424 -4.968 16.626 357 HG21 THR 45 3HG2 THR 45 -3.499 -5.800 16.801 358 HG22 THR 45 1HG2 THR 45 -3.747 -4.135 16.270 359 HG23 THR 45 2HG2 THR 45 -4.658 -4.769 17.641 360 H LYS 46 H LYS 46 -0.748 -1.698 17.941 361 HA LYS 46 HA LYS 46 -2.012 0.154 16.086 362 HB2 LYS 46 1HB LYS 46 0.809 0.003 17.161 363 HB3 LYS 46 2HB LYS 46 0.244 1.225 16.033 364 HG2 LYS 46 1HG LYS 46 -1.404 1.969 17.708 365 HG3 LYS 46 2HG LYS 46 -0.745 0.790 18.843 366 HD2 LYS 46 1HD LYS 46 0.857 2.993 17.551 367 HD3 LYS 46 2HD LYS 46 0.133 3.101 19.156 368 HE2 LYS 46 1HE LYS 46 1.476 1.235 19.923 369 HE3 LYS 46 2HE LYS 46 2.141 1.018 18.304 370 HZ1 LYS 46 3HZ LYS 46 2.456 3.540 19.820 371 HZ2 LYS 46 1HZ LYS 46 3.319 3.032 18.453 372 HZ3 LYS 46 2HZ LYS 46 3.566 2.264 19.948 373 H TYR 47 H TYR 47 -1.912 -0.028 13.964 374 HA TYR 47 HA TYR 47 -0.294 -2.191 12.822 375 HB2 TYR 47 1HB TYR 47 -2.559 -0.627 11.553 376 HB3 TYR 47 2HB TYR 47 -1.765 -2.046 10.880 377 HD1 TYR 47 HD2 TYR 47 -2.179 -4.269 11.838 378 HD2 TYR 47 HD1 TYR 47 -4.207 -0.824 13.277 379 HE1 TYR 47 HE2 TYR 47 -3.828 -5.713 12.956 380 HE2 TYR 47 HE1 TYR 47 -5.859 -2.251 14.399 381 HH TYR 47 HH TYR 47 -5.407 -5.563 14.860 382 H PHE 48 H PHE 48 1.383 -1.763 11.517 383 HA PHE 48 HA PHE 48 1.829 1.066 10.821 384 HB2 PHE 48 1HB PHE 48 3.914 -1.019 11.489 385 HB3 PHE 48 2HB PHE 48 4.218 0.671 11.103 386 HD1 PHE 48 HD1 PHE 48 3.207 2.430 12.655 387 HD2 PHE 48 HD2 PHE 48 3.592 -1.681 13.682 388 HE1 PHE 48 HE1 PHE 48 3.042 3.014 15.037 389 HE2 PHE 48 HE2 PHE 48 3.424 -1.103 16.068 390 HZ PHE 48 HZ PHE 48 3.146 1.247 16.747 391 H ILE 49 H ILE 49 2.509 1.544 8.787 392 HA ILE 49 HA ILE 49 2.666 -0.725 6.914 393 HB ILE 49 HB ILE 49 0.673 0.613 6.514 394 HG12 ILE 49 1HG1 ILE 49 2.795 1.079 4.405 395 HG13 ILE 49 2HG1 ILE 49 1.800 -0.363 4.568 396 HG21 ILE 49 1HG2 ILE 49 1.372 2.720 7.476 397 HG22 ILE 49 2HG2 ILE 49 0.831 2.967 5.815 398 HG23 ILE 49 3HG2 ILE 49 2.555 2.945 6.187 399 HD11 ILE 49 3HD1 ILE 49 1.003 1.075 2.781 400 HD12 ILE 49 1HD1 ILE 49 0.799 2.403 3.926 401 HD13 ILE 49 2HD1 ILE 49 -0.192 0.950 4.074 402 H ARG 50 H ARG 50 4.433 -0.945 5.719 403 HA ARG 50 HA ARG 50 6.016 1.371 4.966 404 HB2 ARG 50 1HB ARG 50 8.127 0.499 5.697 405 HB3 ARG 50 2HB ARG 50 7.057 0.466 7.091 406 HG2 ARG 50 1HG ARG 50 6.728 -1.906 6.843 407 HG3 ARG 50 2HG ARG 50 7.665 -1.915 5.346 408 HD2 ARG 50 1HD ARG 50 9.180 -2.674 6.949 409 HD3 ARG 50 2HD ARG 50 9.580 -0.967 6.777 410 HE ARG 50 HE ARG 50 7.733 -1.644 8.911 411 HH11 ARG 50 1HH1 ARG 50 11.024 -0.900 7.981 412 HH12 ARG 50 2HH1 ARG 50 11.549 -0.619 9.617 413 HH21 ARG 50 1HH2 ARG 50 8.425 -1.261 11.060 414 HH22 ARG 50 2HH2 ARG 50 10.080 -0.804 11.351 415 H TYR 51 H TYR 51 6.817 1.102 2.882 416 HA TYR 51 HA TYR 51 6.404 -1.585 1.760 417 HB2 TYR 51 1HB TYR 51 5.481 -0.744 -0.204 418 HB3 TYR 51 2HB TYR 51 4.770 0.282 1.032 419 HD1 TYR 51 HD2 TYR 51 5.393 2.646 1.185 420 HD2 TYR 51 HD1 TYR 51 7.080 0.114 -1.783 421 HE1 TYR 51 HE2 TYR 51 6.183 4.624 -0.048 422 HE2 TYR 51 HE1 TYR 51 7.868 2.076 -3.024 423 HH TYR 51 HH TYR 51 7.553 4.345 -3.266 424 H PHE 52 H PHE 52 7.765 -2.188 -0.001 425 HA PHE 52 HA PHE 52 10.185 -0.563 -0.319 426 HB2 PHE 52 1HB PHE 52 10.717 -2.326 1.309 427 HB3 PHE 52 2HB PHE 52 10.136 -3.551 0.187 428 HD1 PHE 52 HD2 PHE 52 12.703 -0.914 0.610 429 HD2 PHE 52 HD1 PHE 52 11.570 -4.491 -1.393 430 HE1 PHE 52 HE2 PHE 52 14.958 -1.080 -0.357 431 HE2 PHE 52 HE1 PHE 52 13.822 -4.664 -2.365 432 HZ PHE 52 HZ PHE 52 15.520 -2.959 -1.847 433 H GLN 53 H GLN 53 10.058 0.008 -2.398 434 HA GLN 53 HA GLN 53 9.317 -2.053 -4.342 435 HB2 GLN 53 1HB GLN 53 9.015 -0.184 -5.948 436 HB3 GLN 53 2HB GLN 53 7.946 -0.086 -4.559 437 HG2 GLN 53 1HG GLN 53 9.440 1.593 -3.557 438 HG3 GLN 53 2HG GLN 53 10.455 1.522 -4.999 439 HE21 GLN 53 2HE2 GLN 53 8.171 1.212 -6.786 440 HE22 GLN 53 1HE2 GLN 53 7.412 2.762 -6.879 441 HA PRO 54 HA PRO 54 13.721 -2.401 -5.202 442 HB2 PRO 54 1HB PRO 54 12.575 -4.012 -7.423 443 HB3 PRO 54 2HB PRO 54 13.838 -4.435 -6.263 444 HG2 PRO 54 1HG PRO 54 11.397 -5.472 -6.052 445 HG3 PRO 54 2HG PRO 54 12.315 -5.002 -4.609 446 HD2 PRO 54 1HD PRO 54 10.050 -3.596 -5.956 447 HD3 PRO 54 2HD PRO 54 10.407 -3.763 -4.224 448 H ASP 55 H ASP 55 11.128 -1.765 -7.488 449 HA ASP 55 HA ASP 55 12.897 -0.353 -9.298 450 HB2 ASP 55 1HB ASP 55 9.898 -0.780 -9.306 451 HB3 ASP 55 2HB ASP 55 10.760 0.135 -10.541 452 H GLY 56 H GLY 56 13.592 1.567 -8.693 453 HA2 GLY 56 1HA GLY 56 12.158 3.073 -6.675 454 HA3 GLY 56 2HA GLY 56 13.739 3.454 -7.340 455 H ALA 57 H ALA 57 10.366 3.240 -8.471 456 HA ALA 57 HA ALA 57 10.393 6.015 -9.232 457 HB1 ALA 57 3HB ALA 57 9.910 5.675 -11.596 458 HB2 ALA 57 1HB ALA 57 10.123 3.935 -11.404 459 HB3 ALA 57 2HB ALA 57 11.495 5.023 -11.183 460 H GLY 58 H GLY 58 8.670 6.105 -7.786 461 HA2 GLY 58 1HA GLY 58 6.107 5.785 -8.877 462 HA3 GLY 58 2HA GLY 58 6.428 4.425 -7.808 463 H THR 59 H THR 59 4.501 6.657 -7.585 464 HA THR 59 HA THR 59 5.444 7.741 -5.011 465 HB THR 59 HB THR 59 3.521 9.003 -6.978 466 HG1 THR 59 HG1 THR 59 6.249 9.294 -6.414 467 HG21 THR 59 3HG2 THR 59 2.898 9.520 -4.672 468 HG22 THR 59 1HG2 THR 59 3.579 10.940 -5.465 469 HG23 THR 59 2HG2 THR 59 4.555 10.014 -4.325 470 H LEU 60 H LEU 60 4.486 6.699 -3.395 471 HA LEU 60 HA LEU 60 1.674 5.895 -3.740 472 HB2 LEU 60 1HB LEU 60 3.196 4.014 -3.374 473 HB3 LEU 60 2HB LEU 60 3.780 4.758 -1.899 474 HG LEU 60 HG LEU 60 1.555 4.497 -0.880 475 HD11 LEU 60 1HD1 LEU 60 0.206 4.626 -2.911 476 HD12 LEU 60 2HD1 LEU 60 -0.154 3.161 -1.995 477 HD13 LEU 60 3HD1 LEU 60 0.848 3.072 -3.443 478 HD21 LEU 60 3HD2 LEU 60 3.235 2.745 -0.595 479 HD22 LEU 60 1HD2 LEU 60 2.658 1.950 -2.060 480 HD23 LEU 60 2HD2 LEU 60 1.607 2.070 -0.649 481 H LYS 61 H LYS 61 0.397 7.388 -2.864 482 HA LYS 61 HA LYS 61 1.150 8.409 -0.210 483 HB2 LYS 61 1HB LYS 61 -0.413 9.737 -2.419 484 HB3 LYS 61 2HB LYS 61 -0.456 10.314 -0.759 485 HG2 LYS 61 1HG LYS 61 2.069 10.483 -0.903 486 HG3 LYS 61 2HG LYS 61 1.881 10.236 -2.640 487 HD2 LYS 61 1HD LYS 61 0.487 12.412 -1.085 488 HD3 LYS 61 2HD LYS 61 2.018 12.634 -1.934 489 HE2 LYS 61 1HE LYS 61 -0.557 11.748 -3.225 490 HE3 LYS 61 2HE LYS 61 0.050 13.404 -3.223 491 HZ1 LYS 61 3HZ LYS 61 1.259 11.031 -4.527 492 HZ2 LYS 61 1HZ LYS 61 2.092 12.499 -4.326 493 HZ3 LYS 61 2HZ LYS 61 0.678 12.440 -5.261 494 H MET 62 H MET 62 -0.360 8.429 1.397 495 HA MET 62 HA MET 62 -2.664 6.694 1.002 496 HB2 MET 62 1HB MET 62 -1.131 6.488 2.988 497 HB3 MET 62 2HB MET 62 -1.698 8.061 3.525 498 HG2 MET 62 1HG MET 62 -3.899 7.233 3.876 499 HG3 MET 62 2HG MET 62 -3.507 5.705 3.086 500 HE1 MET 62 3HE MET 62 -1.452 6.903 7.049 501 HE2 MET 62 1HE MET 62 -2.527 8.007 6.191 502 HE3 MET 62 2HE MET 62 -0.995 7.523 5.462 503 H SER 63 H SER 63 -4.825 7.406 1.576 504 HA SER 63 HA SER 63 -5.542 9.809 0.370 505 HB2 SER 63 1HB SER 63 -7.032 7.845 0.662 506 HB3 SER 63 2HB SER 63 -7.167 8.227 2.377 507 HG SER 63 HG SER 63 -7.734 10.355 0.727 508 H ASP 64 H ASP 64 -4.622 9.197 3.663 509 HA ASP 64 HA ASP 64 -5.684 11.503 4.871 510 HB2 ASP 64 1HB ASP 64 -4.731 9.585 6.122 511 HB3 ASP 64 2HB ASP 64 -3.125 10.044 5.565 512 H GLY 65 H GLY 65 -3.157 11.117 2.602 513 HA2 GLY 65 1HA GLY 65 -2.223 13.035 1.493 514 HA3 GLY 65 2HA GLY 65 -2.340 13.919 3.008 515 H THR 66 H THR 66 -1.362 10.958 3.849 516 HA THR 66 HA THR 66 1.295 11.786 4.434 517 HB THR 66 HB THR 66 0.242 8.967 4.615 518 HG1 THR 66 HG1 THR 66 -0.349 11.252 6.175 519 HG21 THR 66 3HG2 THR 66 1.766 8.837 6.530 520 HG22 THR 66 1HG2 THR 66 2.249 10.511 6.260 521 HG23 THR 66 2HG2 THR 66 2.628 9.279 5.055 522 H VAL 67 H VAL 67 2.962 11.724 3.062 523 HA VAL 67 HA VAL 67 2.960 10.024 0.735 524 HB VAL 67 HB VAL 67 5.218 11.703 1.866 525 HG11 VAL 67 1HG1 VAL 67 4.847 10.466 -0.862 526 HG12 VAL 67 2HG1 VAL 67 6.013 9.967 0.365 527 HG13 VAL 67 3HG1 VAL 67 6.161 11.550 -0.398 528 HG21 VAL 67 3HG2 VAL 67 3.327 13.114 1.335 529 HG22 VAL 67 1HG2 VAL 67 3.177 12.366 -0.256 530 HG23 VAL 67 2HG2 VAL 67 4.594 13.343 0.129 531 H LEU 68 H LEU 68 3.612 7.960 0.749 532 HA LEU 68 HA LEU 68 4.845 6.938 3.176 533 HB2 LEU 68 1HB LEU 68 3.739 5.499 0.763 534 HB3 LEU 68 2HB LEU 68 4.313 4.726 2.229 535 HG LEU 68 HG LEU 68 1.998 6.664 2.141 536 HD11 LEU 68 1HD1 LEU 68 1.945 3.654 2.270 537 HD12 LEU 68 2HD1 LEU 68 1.491 4.632 0.875 538 HD13 LEU 68 3HD1 LEU 68 0.548 4.730 2.364 539 HD21 LEU 68 3HD2 LEU 68 3.120 6.551 4.297 540 HD22 LEU 68 1HD2 LEU 68 2.972 4.795 4.293 541 HD23 LEU 68 2HD2 LEU 68 1.526 5.802 4.376 542 H LEU 69 H LEU 69 6.895 6.333 3.343 543 HA LEU 69 HA LEU 69 8.588 6.523 0.954 544 HB2 LEU 69 1HB LEU 69 9.135 6.900 3.889 545 HB3 LEU 69 2HB LEU 69 10.442 6.602 2.764 546 HG LEU 69 HG LEU 69 10.324 8.954 3.153 547 HD11 LEU 69 1HD1 LEU 69 9.111 8.299 0.478 548 HD12 LEU 69 2HD1 LEU 69 10.829 8.316 0.877 549 HD13 LEU 69 3HD1 LEU 69 9.902 9.817 0.902 550 HD21 LEU 69 3HD2 LEU 69 7.419 8.807 2.362 551 HD22 LEU 69 1HD2 LEU 69 8.323 10.283 2.709 552 HD23 LEU 69 2HD2 LEU 69 8.042 9.098 3.988 553 HA PRO 70 HA PRO 70 9.634 2.195 1.229 554 HB2 PRO 70 1HB PRO 70 12.235 2.251 0.420 555 HB3 PRO 70 2HB PRO 70 10.872 2.409 -0.692 556 HG2 PRO 70 1HG PRO 70 12.618 4.535 0.481 557 HG3 PRO 70 2HG PRO 70 11.999 4.380 -1.175 558 HD2 PRO 70 1HD PRO 70 10.896 6.051 0.653 559 HD3 PRO 70 2HD PRO 70 9.941 5.257 -0.616 560 H ASN 71 H ASN 71 10.133 1.002 2.919 561 HA ASN 71 HA ASN 71 11.153 0.135 4.746 562 HB2 ASN 71 1HB ASN 71 13.303 2.164 4.152 563 HB3 ASN 71 2HB ASN 71 13.390 1.035 5.500 564 HD21 ASN 71 2HD2 ASN 71 13.536 -1.200 5.052 565 HD22 ASN 71 1HD2 ASN 71 14.143 -1.758 3.531 566 H ASP 72 H ASP 72 10.864 3.647 4.639 567 HA ASP 72 HA ASP 72 10.879 4.046 7.433 568 HB2 ASP 72 1HB ASP 72 9.944 5.656 5.100 569 HB3 ASP 72 2HB ASP 72 9.427 6.132 6.716 570 H LEU 73 H LEU 73 9.197 4.300 8.902 571 HA LEU 73 HA LEU 73 6.932 2.573 8.188 572 HB2 LEU 73 1HB LEU 73 8.575 1.846 9.955 573 HB3 LEU 73 2HB LEU 73 7.992 3.174 10.941 574 HG LEU 73 HG LEU 73 5.727 2.186 10.891 575 HD11 LEU 73 1HD1 LEU 73 5.819 1.003 8.809 576 HD12 LEU 73 2HD1 LEU 73 5.525 -0.160 10.103 577 HD13 LEU 73 3HD1 LEU 73 7.131 -0.014 9.396 578 HD21 LEU 73 3HD2 LEU 73 7.923 0.365 11.873 579 HD22 LEU 73 1HD2 LEU 73 6.232 0.288 12.370 580 HD23 LEU 73 2HD2 LEU 73 7.201 1.710 12.759 581 H TYR 74 H TYR 74 4.937 3.343 8.227 582 HA TYR 74 HA TYR 74 4.410 5.788 9.783 583 HB2 TYR 74 1HB TYR 74 3.460 5.023 7.032 584 HB3 TYR 74 2HB TYR 74 2.571 6.183 8.017 585 HD1 TYR 74 HD2 TYR 74 3.555 8.345 8.579 586 HD2 TYR 74 HD1 TYR 74 5.598 5.605 6.045 587 HE1 TYR 74 HE2 TYR 74 5.059 10.148 7.857 588 HE2 TYR 74 HE1 TYR 74 7.114 7.405 5.320 589 HH TYR 74 HH TYR 74 7.138 10.523 6.881 590 HA PRO 75 HA PRO 75 1.331 3.238 11.742 591 HB2 PRO 75 1HB PRO 75 0.194 5.627 12.923 592 HB3 PRO 75 2HB PRO 75 1.148 4.362 13.697 593 HG2 PRO 75 1HG PRO 75 2.044 6.914 13.321 594 HG3 PRO 75 2HG PRO 75 3.107 5.501 13.440 595 HD2 PRO 75 1HD PRO 75 2.186 6.982 11.010 596 HD3 PRO 75 2HD PRO 75 3.781 6.288 11.376 597 H LEU 76 H LEU 76 -0.696 2.597 11.230 598 HA LEU 76 HA LEU 76 -2.111 4.056 9.177 599 HB2 LEU 76 1HB LEU 76 -2.685 1.440 10.569 600 HB3 LEU 76 2HB LEU 76 -3.709 2.119 9.316 601 HG LEU 76 HG LEU 76 -0.816 1.329 8.952 602 HD11 LEU 76 1HD1 LEU 76 -3.356 -0.022 8.051 603 HD12 LEU 76 2HD1 LEU 76 -2.241 -0.611 9.285 604 HD13 LEU 76 3HD1 LEU 76 -1.719 -0.505 7.603 605 HD21 LEU 76 3HD2 LEU 76 -2.889 2.252 6.962 606 HD22 LEU 76 1HD2 LEU 76 -1.262 1.694 6.575 607 HD23 LEU 76 2HD2 LEU 76 -1.487 3.175 7.504 608 HA PRO 77 HA PRO 77 -4.689 6.005 12.286 609 HB2 PRO 77 1HB PRO 77 -5.589 7.995 10.753 610 HB3 PRO 77 2HB PRO 77 -3.903 7.953 11.289 611 HG2 PRO 77 1HG PRO 77 -5.068 7.249 8.633 612 HG3 PRO 77 2HG PRO 77 -3.548 8.076 9.005 613 HD2 PRO 77 1HD PRO 77 -3.809 5.370 8.379 614 HD3 PRO 77 2HD PRO 77 -2.408 6.113 9.174 615 H GLY 78 H GLY 78 -5.544 4.116 9.715 616 HA2 GLY 78 1HA GLY 78 -8.339 4.093 10.504 617 HA3 GLY 78 2HA GLY 78 -8.026 4.563 8.839 618 H GLU 79 H GLU 79 -9.537 2.487 8.948 619 HA GLU 79 HA GLU 79 -7.751 0.187 8.468 620 HB2 GLU 79 1HB GLU 79 -9.625 -1.270 9.203 621 HB3 GLU 79 2HB GLU 79 -9.022 -0.226 10.482 622 HG2 GLU 79 1HG GLU 79 -10.916 1.357 9.822 623 HG3 GLU 79 2HG GLU 79 -11.582 -0.018 8.945 624 H THR 80 H THR 80 -10.227 2.240 7.318 625 HA THR 80 HA THR 80 -10.634 0.544 4.951 626 HB THR 80 HB THR 80 -12.585 2.133 4.533 627 HG1 THR 80 HG1 THR 80 -13.306 3.268 6.405 628 HG21 THR 80 3HG2 THR 80 -14.056 0.975 6.113 629 HG22 THR 80 1HG2 THR 80 -12.651 0.447 7.040 630 HG23 THR 80 2HG2 THR 80 -12.894 -0.142 5.396 631 H PHE 81 H PHE 81 -8.283 2.121 5.403 632 HA PHE 81 HA PHE 81 -8.455 4.677 4.218 633 HB2 PHE 81 1HB PHE 81 -5.976 4.610 4.215 634 HB3 PHE 81 2HB PHE 81 -6.681 4.203 5.772 635 HD1 PHE 81 HD2 PHE 81 -6.663 1.860 6.559 636 HD2 PHE 81 HD1 PHE 81 -4.645 3.058 3.010 637 HE1 PHE 81 HE2 PHE 81 -5.347 -0.217 6.610 638 HE2 PHE 81 HE1 PHE 81 -3.322 0.983 3.057 639 HZ PHE 81 HZ PHE 81 -3.675 -0.658 4.860 640 H ARG 82 H ARG 82 -7.622 5.435 2.271 641 HA ARG 82 HA ARG 82 -7.647 3.455 0.090 642 HB2 ARG 82 1HB ARG 82 -8.210 6.423 -0.093 643 HB3 ARG 82 2HB ARG 82 -8.446 5.222 -1.358 644 HG2 ARG 82 1HG ARG 82 -10.267 4.238 -0.200 645 HG3 ARG 82 2HG ARG 82 -9.923 5.168 1.259 646 HD2 ARG 82 1HD ARG 82 -11.769 6.221 0.239 647 HD3 ARG 82 2HD ARG 82 -10.375 7.240 -0.106 648 HE ARG 82 HE ARG 82 -10.393 5.923 -2.339 649 HH11 ARG 82 1HH1 ARG 82 -13.203 6.959 -0.514 650 HH12 ARG 82 2HH1 ARG 82 -14.235 7.025 -1.910 651 HH21 ARG 82 1HH2 ARG 82 -11.744 6.043 -4.175 652 HH22 ARG 82 2HH2 ARG 82 -13.413 6.505 -3.982 653 H LEU 83 H LEU 83 -5.835 3.234 -1.091 654 HA LEU 83 HA LEU 83 -3.642 5.130 -0.599 655 HB2 LEU 83 1HB LEU 83 -3.605 2.341 -1.755 656 HB3 LEU 83 2HB LEU 83 -2.193 3.355 -1.543 657 HG LEU 83 HG LEU 83 -3.941 2.341 0.698 658 HD11 LEU 83 1HD1 LEU 83 -2.052 0.893 1.238 659 HD12 LEU 83 2HD1 LEU 83 -1.201 1.463 -0.199 660 HD13 LEU 83 3HD1 LEU 83 -2.695 0.541 -0.366 661 HD21 LEU 83 3HD2 LEU 83 -1.317 3.829 0.747 662 HD22 LEU 83 1HD2 LEU 83 -2.163 3.178 2.153 663 HD23 LEU 83 2HD2 LEU 83 -2.889 4.482 1.211 664 H TYR 84 H TYR 84 -2.720 6.275 -2.225 665 HA TYR 84 HA TYR 84 -3.850 5.875 -4.917 666 HB2 TYR 84 1HB TYR 84 -3.075 8.448 -3.534 667 HB3 TYR 84 2HB TYR 84 -3.419 8.337 -5.259 668 HD1 TYR 84 HD1 TYR 84 -5.696 7.707 -6.020 669 HD2 TYR 84 HD2 TYR 84 -4.840 8.486 -1.925 670 HE1 TYR 84 HE1 TYR 84 -8.097 7.956 -5.573 671 HE2 TYR 84 HE2 TYR 84 -7.244 8.741 -1.466 672 HH TYR 84 HH TYR 84 -9.641 7.790 -3.707 673 H TYR 85 H TYR 85 -2.354 4.788 -5.997 674 HA TYR 85 HA TYR 85 0.457 5.526 -5.618 675 HB2 TYR 85 1HB TYR 85 -0.130 3.144 -5.313 676 HB3 TYR 85 2HB TYR 85 -0.706 3.087 -6.978 677 HD1 TYR 85 HD1 TYR 85 2.329 3.775 -4.941 678 HD2 TYR 85 HD2 TYR 85 0.781 2.577 -8.718 679 HE1 TYR 85 HE1 TYR 85 4.603 3.241 -5.695 680 HE2 TYR 85 HE2 TYR 85 3.052 2.040 -9.485 681 HH TYR 85 HH TYR 85 5.345 2.555 -8.983 682 H THR 86 H THR 86 1.296 6.852 -7.005 683 HA THR 86 HA THR 86 0.225 7.048 -9.721 684 HB THR 86 HB THR 86 2.257 8.851 -8.390 685 HG1 THR 86 HG1 THR 86 -0.501 9.448 -8.685 686 HG21 THR 86 3HG2 THR 86 1.499 10.464 -10.106 687 HG22 THR 86 1HG2 THR 86 0.466 9.212 -10.798 688 HG23 THR 86 2HG2 THR 86 2.218 9.018 -10.816 689 H SER 87 H SER 87 1.259 6.059 -11.319 690 HA SER 87 HA SER 87 3.715 4.668 -10.823 691 HB2 SER 87 1HB SER 87 1.859 3.791 -12.266 692 HB3 SER 87 2HB SER 87 2.258 5.034 -13.449 693 HG SER 87 HG SER 87 3.778 3.776 -14.146 694 H ALA 88 H ALA 88 5.717 5.387 -11.157 695 HA ALA 88 HA ALA 88 6.078 7.754 -12.872 696 HB1 ALA 88 3HB ALA 88 8.130 8.196 -11.619 697 HB2 ALA 88 1HB ALA 88 7.844 6.760 -10.636 698 HB3 ALA 88 2HB ALA 88 6.732 8.123 -10.548 699 H SER 89 H SER 89 6.411 4.485 -12.833 700 HA SER 89 HA SER 89 8.686 4.544 -14.694 701 HB2 SER 89 1HB SER 89 9.079 3.124 -12.715 702 HB3 SER 89 2HB SER 89 7.612 2.217 -13.074 703 HG SER 89 HG SER 89 9.621 1.247 -13.828 704 H THR 90 H THR 90 8.496 3.451 -16.653 705 HA THR 90 HA THR 90 5.733 2.762 -17.419 706 HB THR 90 HB THR 90 6.719 4.691 -18.654 707 HG1 THR 90 HG1 THR 90 5.736 2.385 -19.794 708 HG21 THR 90 3HG2 THR 90 8.492 4.260 -20.312 709 HG22 THR 90 1HG2 THR 90 8.683 2.630 -19.665 710 HG23 THR 90 2HG2 THR 90 9.056 4.029 -18.656 711 H ASP 91 H ASP 91 8.270 1.311 -16.291 712 HA ASP 91 HA ASP 91 8.355 -0.882 -18.262 713 HB2 ASP 91 1HB ASP 91 10.358 -0.191 -16.096 714 HB3 ASP 91 2HB ASP 91 10.518 -1.488 -17.274 715 H GLN 92 H GLN 92 9.365 -2.876 -16.693 716 HA GLN 92 HA GLN 92 7.250 -3.887 -15.191 717 HB2 GLN 92 1HB GLN 92 9.243 -5.173 -16.059 718 HB3 GLN 92 2HB GLN 92 10.184 -4.488 -14.742 719 HG2 GLN 92 1HG GLN 92 9.449 -6.733 -14.204 720 HG3 GLN 92 2HG GLN 92 8.702 -5.554 -13.123 721 HE21 GLN 92 2HE2 GLN 92 7.004 -6.943 -12.621 722 HE22 GLN 92 1HE2 GLN 92 5.739 -7.288 -13.762 723 H GLN 93 H GLN 93 6.440 -3.225 -13.310 724 HA GLN 93 HA GLN 93 8.157 -1.592 -11.565 725 HB2 GLN 93 1HB GLN 93 6.420 -0.329 -12.840 726 HB3 GLN 93 2HB GLN 93 5.188 -1.274 -12.020 727 HG2 GLN 93 1HG GLN 93 5.734 -0.310 -9.918 728 HG3 GLN 93 2HG GLN 93 7.186 0.447 -10.577 729 HE21 GLN 93 2HE2 GLN 93 4.199 0.322 -12.337 730 HE22 GLN 93 1HE2 GLN 93 3.855 2.015 -12.270 731 H THR 94 H THR 94 8.558 -2.598 -9.734 732 HA THR 94 HA THR 94 6.585 -4.527 -8.703 733 HB THR 94 HB THR 94 9.480 -4.502 -7.914 734 HG1 THR 94 HG1 THR 94 9.557 -4.543 -10.159 735 HG21 THR 94 3HG2 THR 94 7.902 -5.969 -6.718 736 HG22 THR 94 1HG2 THR 94 9.096 -6.898 -7.625 737 HG23 THR 94 2HG2 THR 94 7.455 -6.723 -8.247 738 H VAL 95 H VAL 95 5.566 -3.940 -6.891 739 HA VAL 95 HA VAL 95 7.024 -2.269 -4.942 740 HB VAL 95 HB VAL 95 4.068 -2.050 -5.565 741 HG11 VAL 95 1HG1 VAL 95 4.582 -1.588 -3.229 742 HG12 VAL 95 2HG1 VAL 95 4.124 -0.108 -4.072 743 HG13 VAL 95 3HG1 VAL 95 5.821 -0.432 -3.716 744 HG21 VAL 95 3HG2 VAL 95 4.613 0.179 -6.451 745 HG22 VAL 95 1HG2 VAL 95 5.379 -1.114 -7.376 746 HG23 VAL 95 2HG2 VAL 95 6.329 -0.167 -6.232 747 H ASP 96 H ASP 96 7.375 -3.485 -3.189 748 HA ASP 96 HA ASP 96 5.388 -5.525 -2.454 749 HB2 ASP 96 1HB ASP 96 7.959 -5.979 -2.759 750 HB3 ASP 96 2HB ASP 96 8.085 -5.261 -1.157 751 H VAL 97 H VAL 97 3.960 -4.900 -0.952 752 HA VAL 97 HA VAL 97 4.724 -2.701 0.852 753 HB VAL 97 HB VAL 97 1.940 -3.699 0.223 754 HG11 VAL 97 1HG1 VAL 97 1.193 -1.634 1.261 755 HG12 VAL 97 2HG1 VAL 97 2.862 -1.170 1.585 756 HG13 VAL 97 3HG1 VAL 97 2.163 -2.573 2.395 757 HG21 VAL 97 3HG2 VAL 97 3.016 -2.765 -1.767 758 HG22 VAL 97 1HG2 VAL 97 3.396 -1.293 -0.870 759 HG23 VAL 97 2HG2 VAL 97 1.714 -1.723 -1.191 760 H TYR 98 H TYR 98 4.986 -3.072 2.948 761 HA TYR 98 HA TYR 98 4.194 -5.700 4.003 762 HB2 TYR 98 1HB TYR 98 6.256 -3.751 5.058 763 HB3 TYR 98 2HB TYR 98 5.914 -5.346 5.718 764 HD1 TYR 98 HD2 TYR 98 7.511 -3.489 2.998 765 HD2 TYR 98 HD1 TYR 98 6.687 -7.350 4.585 766 HE1 TYR 98 HE2 TYR 98 9.209 -4.456 1.505 767 HE2 TYR 98 HE1 TYR 98 8.385 -8.330 3.100 768 HH TYR 98 HH TYR 98 9.481 -7.817 0.982 769 H PHE 99 H PHE 99 2.526 -5.756 5.347 770 HA PHE 99 HA PHE 99 1.932 -3.368 6.968 771 HB2 PHE 99 1HB PHE 99 0.174 -5.697 6.163 772 HB3 PHE 99 2HB PHE 99 -0.307 -4.462 7.318 773 HD1 PHE 99 HD2 PHE 99 -0.653 -2.144 6.568 774 HD2 PHE 99 HD1 PHE 99 0.115 -5.300 3.826 775 HE1 PHE 99 HE2 PHE 99 -1.515 -0.751 4.733 776 HE2 PHE 99 HE1 PHE 99 -0.747 -3.918 1.982 777 HZ PHE 99 HZ PHE 99 -1.565 -1.639 2.436 778 H GLN 100 H GLN 100 2.692 -3.499 8.985 779 HA GLN 100 HA GLN 100 2.964 -6.192 10.143 780 HB2 GLN 100 1HB GLN 100 4.867 -5.313 11.461 781 HB3 GLN 100 2HB GLN 100 5.145 -5.288 9.727 782 HG2 GLN 100 1HG GLN 100 4.621 -2.892 9.696 783 HG3 GLN 100 2HG GLN 100 4.398 -2.935 11.443 784 HE21 GLN 100 2HE2 GLN 100 6.855 -4.796 9.807 785 HE22 GLN 100 1HE2 GLN 100 8.212 -3.909 10.409 786 H ASP 101 H ASP 101 2.471 -6.531 12.242 787 HA ASP 101 HA ASP 101 0.763 -4.485 13.488 788 HB2 ASP 101 1HB ASP 101 -0.463 -6.487 12.919 789 HB3 ASP 101 2HB ASP 101 0.750 -7.505 13.684 790 H SER 102 H SER 102 0.739 -4.530 15.912 791 HA SER 102 HA SER 102 3.371 -4.121 16.864 792 HB2 SER 102 1HB SER 102 0.779 -4.309 18.417 793 HB3 SER 102 2HB SER 102 2.296 -3.640 19.019 794 HG SER 102 HG SER 102 1.093 -2.641 16.661 795 H PHE 103 H PHE 103 1.269 -6.905 16.923 796 HA PHE 103 HA PHE 103 2.646 -8.189 19.111 797 HB2 PHE 103 1HB PHE 103 0.251 -8.620 18.587 798 HB3 PHE 103 2HB PHE 103 0.745 -9.381 17.080 799 HD1 PHE 103 HD1 PHE 103 0.709 -9.683 20.735 800 HD2 PHE 103 HD2 PHE 103 1.658 -11.599 17.053 801 HE1 PHE 103 HE1 PHE 103 0.909 -11.838 21.909 802 HE2 PHE 103 HE2 PHE 103 1.858 -13.752 18.220 803 HZ PHE 103 HZ PHE 103 1.482 -13.875 20.651 804 H GLY 104 H GLY 104 3.048 -7.942 15.696 805 HA2 GLY 104 1HA GLY 104 5.396 -8.543 15.046 806 HA3 GLY 104 2HA GLY 104 5.071 -10.095 15.801 807 H GLN 105 H GLN 105 2.233 -9.319 14.430 808 HA GLN 105 HA GLN 105 2.450 -11.189 12.337 809 HB2 GLN 105 1HB GLN 105 0.393 -9.004 12.715 810 HB3 GLN 105 2HB GLN 105 0.234 -10.372 11.624 811 HG2 GLN 105 1HG GLN 105 0.450 -10.549 14.623 812 HG3 GLN 105 2HG GLN 105 -1.044 -10.653 13.697 813 HE21 GLN 105 2HE2 GLN 105 0.277 -12.201 11.547 814 HE22 GLN 105 1HE2 GLN 105 0.482 -13.794 12.185 815 H LEU 106 H LEU 106 2.640 -10.946 10.126 816 HA LEU 106 HA LEU 106 3.241 -8.285 9.078 817 HB2 LEU 106 1HB LEU 106 5.363 -9.417 9.920 818 HB3 LEU 106 2HB LEU 106 5.121 -10.618 8.672 819 HG LEU 106 HG LEU 106 6.815 -8.849 8.135 820 HD11 LEU 106 1HD1 LEU 106 6.119 -8.529 5.842 821 HD12 LEU 106 2HD1 LEU 106 4.459 -8.946 6.266 822 HD13 LEU 106 3HD1 LEU 106 5.728 -10.166 6.375 823 HD21 LEU 106 3HD2 LEU 106 4.381 -7.080 7.992 824 HD22 LEU 106 1HD2 LEU 106 6.001 -6.648 7.440 825 HD23 LEU 106 2HD2 LEU 106 5.705 -6.953 9.151 826 H GLN 107 H GLN 107 1.941 -8.090 7.382 827 HA GLN 107 HA GLN 107 1.594 -10.429 5.617 828 HB2 GLN 107 1HB GLN 107 -0.507 -9.558 6.657 829 HB3 GLN 107 2HB GLN 107 -0.225 -8.020 5.851 830 HG2 GLN 107 1HG GLN 107 -0.248 -9.266 3.674 831 HG3 GLN 107 2HG GLN 107 -0.783 -10.683 4.574 832 HE21 GLN 107 2HE2 GLN 107 -1.643 -7.538 3.402 833 HE22 GLN 107 1HE2 GLN 107 -3.342 -7.673 3.686 834 H GLN 108 H GLN 108 2.691 -10.301 3.785 835 HA GLN 108 HA GLN 108 3.484 -7.641 2.818 836 HB2 GLN 108 1HB GLN 108 5.244 -8.838 1.542 837 HB3 GLN 108 2HB GLN 108 5.382 -9.047 3.282 838 HG2 GLN 108 1HG GLN 108 4.381 -11.262 3.099 839 HG3 GLN 108 2HG GLN 108 4.209 -11.047 1.358 840 HE21 GLN 108 2HE2 GLN 108 5.489 -12.838 0.926 841 HE22 GLN 108 1HE2 GLN 108 7.207 -12.820 1.139 842 H LEU 109 H LEU 109 2.656 -6.868 1.018 843 HA LEU 109 HA LEU 109 1.251 -8.723 -0.795 844 HB2 LEU 109 1HB LEU 109 0.709 -5.794 -0.286 845 HB3 LEU 109 2HB LEU 109 -0.144 -6.792 -1.448 846 HG LEU 109 HG LEU 109 -0.172 -7.189 1.547 847 HD11 LEU 109 1HD1 LEU 109 -1.365 -5.177 0.848 848 HD12 LEU 109 2HD1 LEU 109 -2.474 -6.421 1.424 849 HD13 LEU 109 3HD1 LEU 109 -2.299 -6.129 -0.308 850 HD21 LEU 109 3HD2 LEU 109 -1.714 -8.578 -0.642 851 HD22 LEU 109 1HD2 LEU 109 -1.949 -8.807 1.090 852 HD23 LEU 109 2HD2 LEU 109 -0.429 -9.289 0.335 853 H THR 110 H THR 110 2.485 -9.086 -2.524 854 HA THR 110 HA THR 110 4.320 -7.030 -3.465 855 HB THR 110 HB THR 110 3.971 -9.815 -4.586 856 HG1 THR 110 HG1 THR 110 5.788 -8.974 -2.531 857 HG21 THR 110 3HG2 THR 110 6.309 -9.505 -5.286 858 HG22 THR 110 1HG2 THR 110 6.296 -7.882 -4.595 859 HG23 THR 110 2HG2 THR 110 5.258 -8.264 -5.969 860 H PHE 111 H PHE 111 3.550 -5.589 -4.867 861 HA PHE 111 HA PHE 111 1.443 -6.382 -6.745 862 HB2 PHE 111 1HB PHE 111 2.545 -3.662 -6.004 863 HB3 PHE 111 2HB PHE 111 1.310 -3.928 -7.230 864 HD1 PHE 111 HD2 PHE 111 -0.929 -4.691 -6.593 865 HD2 PHE 111 HD1 PHE 111 2.025 -3.767 -3.672 866 HE1 PHE 111 HE2 PHE 111 -2.679 -4.576 -4.866 867 HE2 PHE 111 HE1 PHE 111 0.282 -3.652 -1.942 868 HZ PHE 111 HZ PHE 111 -2.075 -4.054 -2.536 869 H SER 112 H SER 112 1.985 -6.991 -8.710 870 HA SER 112 HA SER 112 4.540 -6.076 -9.842 871 HB2 SER 112 1HB SER 112 2.889 -8.477 -10.676 872 HB3 SER 112 2HB SER 112 4.523 -8.076 -11.208 873 HG SER 112 HG SER 112 4.525 -8.134 -8.558 874 H PHE 113 H PHE 113 4.243 -4.390 -11.155 875 HA PHE 113 HA PHE 113 1.797 -4.275 -12.773 876 HB2 PHE 113 1HB PHE 113 3.855 -2.131 -12.191 877 HB3 PHE 113 2HB PHE 113 2.413 -1.910 -13.176 878 HD1 PHE 113 HD2 PHE 113 0.148 -2.374 -12.034 879 HD2 PHE 113 HD1 PHE 113 3.777 -1.720 -9.915 880 HE1 PHE 113 HE2 PHE 113 -1.139 -1.775 -10.024 881 HE2 PHE 113 HE1 PHE 113 2.499 -1.119 -7.900 882 HZ PHE 113 HZ PHE 113 0.037 -1.144 -7.954 883 H ASN 114 H ASN 114 2.031 -3.464 -14.995 884 HA ASN 114 HA ASN 114 2.943 -3.311 -17.072 885 HB2 ASN 114 1HB ASN 114 5.040 -2.473 -16.181 886 HB3 ASN 114 2HB ASN 114 5.548 -4.103 -15.755 887 HD21 ASN 114 2HD2 ASN 114 6.381 -5.435 -17.312 888 HD22 ASN 114 1HD2 ASN 114 6.726 -4.906 -18.923 889 H ASN 115 H ASN 115 4.622 -6.099 -15.563 890 HA ASN 115 HA ASN 115 3.103 -7.821 -17.385 891 HB2 ASN 115 1HB ASN 115 5.267 -7.426 -18.474 892 HB3 ASN 115 2HB ASN 115 6.103 -7.977 -17.025 893 HD21 ASN 115 2HD2 ASN 115 7.134 -9.651 -18.060 894 HD22 ASN 115 1HD2 ASN 115 6.303 -11.067 -18.605 895 H ASP 116 H ASP 116 2.241 -9.456 -16.417 896 HA ASP 116 HA ASP 116 3.628 -10.778 -14.207 897 HB2 ASP 116 1HB ASP 116 1.539 -10.980 -12.923 898 HB3 ASP 116 2HB ASP 116 1.976 -9.290 -13.153 899 H SER 117 H SER 117 1.492 -10.774 -16.891 900 HA SER 117 HA SER 117 0.970 -12.361 -18.414 901 HB2 SER 117 1HB SER 117 2.917 -14.102 -16.891 902 HB3 SER 117 2HB SER 117 2.296 -14.419 -18.510 903 HG SER 117 HG SER 117 3.393 -11.915 -18.239 904 H SER 118 H SER 118 -0.273 -12.328 -15.525 905 HA SER 118 HA SER 118 -1.260 -15.066 -15.382 906 HB2 SER 118 1HB SER 118 -1.734 -12.671 -13.590 907 HB3 SER 118 2HB SER 118 -2.330 -14.302 -13.277 908 HG SER 118 HG SER 118 0.327 -13.344 -13.280 909 H LYS 119 H LYS 119 -2.095 -13.742 -17.698 910 HA LYS 119 HA LYS 119 -4.910 -14.057 -17.560 911 HB2 LYS 119 1HB LYS 119 -4.924 -11.876 -16.531 912 HB3 LYS 119 2HB LYS 119 -3.864 -11.230 -17.776 913 HG2 LYS 119 1HG LYS 119 -5.686 -11.728 -19.436 914 HG3 LYS 119 2HG LYS 119 -6.730 -12.086 -18.061 915 HD2 LYS 119 1HD LYS 119 -6.513 -9.846 -17.236 916 HD3 LYS 119 2HD LYS 119 -5.290 -9.467 -18.451 917 HE2 LYS 119 1HE LYS 119 -7.384 -8.526 -19.159 918 HE3 LYS 119 2HE LYS 119 -6.990 -9.881 -20.214 919 HZ1 LYS 119 3HZ LYS 119 -8.479 -11.257 -18.756 920 HZ2 LYS 119 1HZ LYS 119 -9.265 -10.066 -19.673 921 HZ3 LYS 119 2HZ LYS 119 -8.985 -9.813 -18.022 922 H GLU 120 H GLU 120 -2.272 -12.498 -19.332 923 HA GLU 120 HA GLU 120 -3.692 -12.147 -21.712 924 HB2 GLU 120 1HB GLU 120 -1.597 -10.946 -20.995 925 HB3 GLU 120 2HB GLU 120 -0.695 -12.373 -21.486 926 HG2 GLU 120 1HG GLU 120 -0.774 -10.525 -23.171 927 HG3 GLU 120 2HG GLU 120 -1.319 -12.098 -23.756 928 H GLU 121 H GLU 121 -3.417 -13.089 -23.749 929 HA GLU 121 HA GLU 121 -3.045 -16.003 -23.608 930 HB2 GLU 121 1HB GLU 121 -5.310 -15.193 -24.146 931 HB3 GLU 121 2HB GLU 121 -4.664 -14.324 -25.529 932 HG2 GLU 121 1HG GLU 121 -4.037 -16.420 -26.578 933 HG3 GLU 121 2HG GLU 121 -4.624 -17.310 -25.168 934 H GLU 122 H GLU 122 -0.849 -16.090 -24.046 935 HA GLU 122 HA GLU 122 0.143 -14.830 -26.485 936 HB2 GLU 122 1HB GLU 122 1.337 -14.949 -24.140 937 HB3 GLU 122 2HB GLU 122 1.809 -16.552 -24.676 938 HG2 GLU 122 1HG GLU 122 2.410 -13.994 -26.150 939 HG3 GLU 122 2HG GLU 122 3.530 -14.840 -25.087 940 H LEU 123 H LEU 123 -0.415 -15.936 -28.239 941 HA LEU 123 HA LEU 123 -0.748 -17.609 -29.740 942 HB2 LEU 123 1HB LEU 123 1.831 -17.709 -29.007 943 HB3 LEU 123 2HB LEU 123 1.342 -19.304 -28.475 944 HG LEU 123 HG LEU 123 2.358 -19.243 -30.751 945 HD11 LEU 123 1HD1 LEU 123 -0.503 -20.176 -30.614 946 HD12 LEU 123 2HD1 LEU 123 0.928 -21.096 -30.146 947 HD13 LEU 123 3HD1 LEU 123 0.674 -20.659 -31.836 948 HD21 LEU 123 3HD2 LEU 123 -0.163 -17.755 -31.463 949 HD22 LEU 123 1HD2 LEU 123 1.021 -18.385 -32.607 950 HD23 LEU 123 2HD2 LEU 123 1.475 -17.103 -31.485 951 H GLU 124 H GLU 124 -2.626 -17.722 -28.016 952 HA GLU 124 HA GLU 124 -4.202 -18.923 -26.948 953 HB2 GLU 124 1HB GLU 124 -4.167 -20.182 -29.072 954 HB3 GLU 124 2HB GLU 124 -2.977 -21.279 -28.384 955 HG2 GLU 124 1HG GLU 124 -5.309 -22.139 -28.366 956 HG3 GLU 124 2HG GLU 124 -4.534 -22.095 -26.782 957 H HIS 125 H HIS 125 -4.049 -19.010 -24.842 958 HA HIS 125 HA HIS 125 -1.899 -20.455 -23.545 959 HB2 HIS 125 1HB HIS 125 -2.989 -19.603 -21.418 960 HB3 HIS 125 2HB HIS 125 -2.376 -18.375 -22.513 961 HD1 HIS 125 HD1 HIS 125 -3.954 -16.619 -21.445 962 HD2 HIS 125 HD2 HIS 125 -5.926 -19.811 -23.240 963 HE1 HIS 125 HE1 HIS 125 -6.361 -15.912 -21.630 964 HE2 HIS 125 HE2 HIS 125 -7.490 -17.787 -22.875 965 H HIS 126 H HIS 126 -3.273 -22.216 -24.956 966 HA HIS 126 HA HIS 126 -4.115 -24.311 -24.845 967 HB2 HIS 126 1HB HIS 126 -2.890 -24.657 -22.789 968 HB3 HIS 126 2HB HIS 126 -4.139 -23.836 -21.860 969 HD1 HIS 126 HD1 HIS 126 -3.422 -27.095 -23.612 970 HD2 HIS 126 HD2 HIS 126 -6.349 -25.383 -21.197 971 HE1 HIS 126 HE1 HIS 126 -4.967 -28.978 -22.967 972 HE2 HIS 126 HE2 HIS 126 -6.759 -27.914 -21.544 973 H HIS 127 H HIS 127 -5.813 -21.699 -23.422 974 HA HIS 127 HA HIS 127 -7.993 -21.146 -23.196 975 HB2 HIS 127 1HB HIS 127 -8.099 -21.793 -25.596 976 HB3 HIS 127 2HB HIS 127 -8.521 -23.430 -25.111 977 HD1 HIS 127 HD1 HIS 127 -9.893 -19.914 -25.060 978 HD2 HIS 127 HD2 HIS 127 -11.179 -23.835 -24.562 979 HE1 HIS 127 HE1 HIS 127 -12.405 -19.799 -24.962 980 HE2 HIS 127 HE2 HIS 127 -13.158 -22.203 -24.877 981 H HIS 128 H HIS 128 -8.085 -21.686 -21.020 982 HA HIS 128 HA HIS 128 -9.626 -24.086 -20.430 983 HB2 HIS 128 1HB HIS 128 -8.171 -24.836 -18.659 984 HB3 HIS 128 2HB HIS 128 -7.217 -24.700 -20.129 985 HD1 HIS 128 HD1 HIS 128 -7.404 -23.515 -16.646 986 HD2 HIS 128 HD2 HIS 128 -5.430 -22.426 -20.146 987 HE1 HIS 128 HE1 HIS 128 -5.550 -21.975 -15.930 988 HE2 HIS 128 HE2 HIS 128 -4.476 -21.202 -18.075 989 H HIS 129 H HIS 129 -11.111 -23.773 -18.904 990 HA HIS 129 HA HIS 129 -10.727 -21.942 -16.740 991 HB2 HIS 129 1HB HIS 129 -12.620 -20.468 -17.178 992 HB3 HIS 129 2HB HIS 129 -11.463 -20.353 -18.497 993 HD1 HIS 129 HD1 HIS 129 -14.984 -20.833 -17.834 994 HD2 HIS 129 HD2 HIS 129 -12.341 -21.917 -20.853 995 HE1 HIS 129 HE1 HIS 129 -16.419 -21.432 -19.806 996 HE2 HIS 129 HE2 HIS 129 -14.796 -21.893 -21.674 997 H HIS 130 H HIS 130 -11.725 -22.757 -15.013 998 HA HIS 130 HA HIS 130 -14.113 -24.415 -15.393 999 HB2 HIS 130 1HB HIS 130 -11.727 -25.237 -13.717 1000 HB3 HIS 130 2HB HIS 130 -13.255 -26.100 -13.801 1001 HD1 HIS 130 HD1 HIS 130 -13.745 -27.429 -16.004 1002 HD2 HIS 130 HD2 HIS 130 -9.968 -25.706 -15.795 1003 HE1 HIS 130 HE1 HIS 130 -12.400 -28.509 -17.841 1004 HE2 HIS 130 HE2 HIS 130 -10.077 -27.548 -17.603 Start of MODEL 3 1 H1 MET 1 1H MET 1 1.007 -36.486 8.190 2 H2 MET 1 2H MET 1 -0.429 -37.365 8.022 3 H3 MET 1 3H MET 1 0.866 -38.025 8.894 4 HA MET 1 HA MET 1 -0.834 -35.717 9.633 5 HB2 MET 1 1HB MET 1 -1.610 -38.108 10.055 6 HB3 MET 1 2HB MET 1 -0.251 -38.265 11.159 7 HG2 MET 1 1HG MET 1 -2.298 -36.101 11.481 8 HG3 MET 1 2HG MET 1 -2.554 -37.720 12.125 9 HE1 MET 1 3HE MET 1 -2.890 -36.667 14.553 10 HE2 MET 1 1HE MET 1 -2.629 -35.058 13.877 11 HE3 MET 1 2HE MET 1 -1.732 -35.572 15.306 12 H ASN 2 H ASN 2 2.140 -37.483 10.180 13 HA ASN 2 HA ASN 2 4.125 -36.886 11.062 14 HB2 ASN 2 1HB ASN 2 3.715 -34.654 9.995 15 HB3 ASN 2 2HB ASN 2 2.984 -34.117 11.502 16 HD21 ASN 2 2HD2 ASN 2 4.291 -33.616 13.235 17 HD22 ASN 2 1HD2 ASN 2 6.011 -33.529 13.125 18 H ASP 3 H ASP 3 2.371 -34.612 13.109 19 HA ASP 3 HA ASP 3 2.181 -36.422 15.333 20 HB2 ASP 3 1HB ASP 3 4.361 -34.330 15.285 21 HB3 ASP 3 2HB ASP 3 3.680 -34.917 16.795 22 H ASP 4 H ASP 4 2.733 -32.951 14.879 23 HA ASP 4 HA ASP 4 0.401 -32.349 16.498 24 HB2 ASP 4 1HB ASP 4 2.596 -30.642 15.332 25 HB3 ASP 4 2HB ASP 4 1.185 -29.954 16.128 26 H VAL 5 H VAL 5 -1.296 -31.072 15.819 27 HA VAL 5 HA VAL 5 -1.967 -31.162 13.013 28 HB VAL 5 HB VAL 5 -3.410 -29.736 15.267 29 HG11 VAL 5 1HG1 VAL 5 -4.082 -28.961 13.066 30 HG12 VAL 5 2HG1 VAL 5 -5.375 -29.904 13.808 31 HG13 VAL 5 3HG1 VAL 5 -4.369 -30.622 12.549 32 HG21 VAL 5 3HG2 VAL 5 -3.195 -32.094 15.792 33 HG22 VAL 5 1HG2 VAL 5 -3.820 -32.527 14.201 34 HG23 VAL 5 2HG2 VAL 5 -4.863 -31.714 15.369 35 H ASP 6 H ASP 6 -2.267 -29.276 11.688 36 HA ASP 6 HA ASP 6 -0.213 -27.332 12.105 37 HB2 ASP 6 1HB ASP 6 -1.308 -28.282 9.871 38 HB3 ASP 6 2HB ASP 6 -2.345 -26.872 10.069 39 H ILE 7 H ILE 7 -1.199 -24.927 11.319 40 HA ILE 7 HA ILE 7 -2.281 -24.029 13.811 41 HB ILE 7 HB ILE 7 -1.762 -22.491 11.260 42 HG12 ILE 7 1HG1 ILE 7 0.272 -23.478 12.165 43 HG13 ILE 7 2HG1 ILE 7 0.285 -21.740 12.437 44 HG21 ILE 7 1HG2 ILE 7 -2.266 -21.478 14.058 45 HG22 ILE 7 2HG2 ILE 7 -3.380 -21.355 12.697 46 HG23 ILE 7 3HG2 ILE 7 -1.845 -20.490 12.658 47 HD11 ILE 7 3HD1 ILE 7 -0.351 -22.080 14.754 48 HD12 ILE 7 1HD1 ILE 7 1.116 -22.982 14.368 49 HD13 ILE 7 2HD1 ILE 7 -0.430 -23.822 14.487 50 H GLN 8 H GLN 8 -4.332 -24.143 14.330 51 HA GLN 8 HA GLN 8 -6.446 -24.484 12.485 52 HB2 GLN 8 1HB GLN 8 -7.916 -24.147 14.446 53 HB3 GLN 8 2HB GLN 8 -6.633 -25.309 14.756 54 HG2 GLN 8 1HG GLN 8 -5.358 -23.523 15.899 55 HG3 GLN 8 2HG GLN 8 -6.738 -22.446 15.677 56 HE21 GLN 8 2HE2 GLN 8 -5.496 -25.209 17.350 57 HE22 GLN 8 1HE2 GLN 8 -6.749 -25.318 18.539 58 H GLN 9 H GLN 9 -8.274 -23.023 12.186 59 HA GLN 9 HA GLN 9 -7.240 -20.445 11.416 60 HB2 GLN 9 1HB GLN 9 -10.052 -21.497 11.074 61 HB3 GLN 9 2HB GLN 9 -9.328 -20.136 10.233 62 HG2 GLN 9 1HG GLN 9 -9.301 -21.851 8.671 63 HG3 GLN 9 2HG GLN 9 -7.657 -21.830 9.305 64 HE21 GLN 9 2HE2 GLN 9 -7.236 -23.941 8.791 65 HE22 GLN 9 1HE2 GLN 9 -7.978 -25.280 9.603 66 H SER 10 H SER 10 -6.900 -19.423 13.398 67 HA SER 10 HA SER 10 -9.177 -18.987 15.156 68 HB2 SER 10 1HB SER 10 -7.280 -17.649 16.411 69 HB3 SER 10 2HB SER 10 -7.307 -19.413 16.447 70 HG SER 10 HG SER 10 -5.405 -19.325 15.587 71 H TYR 11 H TYR 11 -8.536 -17.719 12.374 72 HA TYR 11 HA TYR 11 -9.022 -15.800 11.285 73 HB2 TYR 11 1HB TYR 11 -10.379 -15.139 13.896 74 HB3 TYR 11 2HB TYR 11 -10.440 -14.082 12.492 75 HD1 TYR 11 HD1 TYR 11 -11.540 -14.895 10.403 76 HD2 TYR 11 HD2 TYR 11 -11.780 -17.044 14.067 77 HE1 TYR 11 HE1 TYR 11 -13.473 -16.138 9.539 78 HE2 TYR 11 HE2 TYR 11 -13.716 -18.299 13.211 79 HH TYR 11 HH TYR 11 -14.591 -18.286 9.924 80 HA PRO 12 HA PRO 12 -5.505 -13.424 12.972 81 HB2 PRO 12 1HB PRO 12 -4.158 -13.746 10.487 82 HB3 PRO 12 2HB PRO 12 -3.763 -14.515 12.023 83 HG2 PRO 12 1HG PRO 12 -4.695 -15.825 9.753 84 HG3 PRO 12 2HG PRO 12 -4.712 -16.477 11.399 85 HD2 PRO 12 1HD PRO 12 -6.922 -15.232 9.828 86 HD3 PRO 12 2HD PRO 12 -6.979 -16.561 11.006 87 H PHE 13 H PHE 13 -4.621 -11.379 12.099 88 HA PHE 13 HA PHE 13 -6.585 -9.794 10.847 89 HB2 PHE 13 1HB PHE 13 -3.615 -9.295 11.171 90 HB3 PHE 13 2HB PHE 13 -4.788 -8.083 10.673 91 HD1 PHE 13 HD2 PHE 13 -6.459 -7.250 12.262 92 HD2 PHE 13 HD1 PHE 13 -3.385 -9.941 13.455 93 HE1 PHE 13 HE2 PHE 13 -6.878 -6.678 14.616 94 HE2 PHE 13 HE1 PHE 13 -3.800 -9.373 15.813 95 HZ PHE 13 HZ PHE 13 -5.549 -7.737 16.397 96 H SER 14 H SER 14 -6.877 -9.216 8.746 97 HA SER 14 HA SER 14 -4.986 -10.140 6.738 98 HB2 SER 14 1HB SER 14 -6.992 -11.139 5.455 99 HB3 SER 14 2HB SER 14 -6.339 -12.070 6.803 100 HG SER 14 HG SER 14 -8.039 -11.439 8.067 101 H ILE 15 H ILE 15 -4.804 -8.726 5.098 102 HA ILE 15 HA ILE 15 -6.756 -6.531 5.055 103 HB ILE 15 HB ILE 15 -3.893 -6.557 4.095 104 HG12 ILE 15 1HG1 ILE 15 -5.197 -5.194 6.461 105 HG13 ILE 15 2HG1 ILE 15 -4.187 -6.631 6.552 106 HG21 ILE 15 1HG2 ILE 15 -5.288 -5.064 2.747 107 HG22 ILE 15 2HG2 ILE 15 -4.185 -4.144 3.772 108 HG23 ILE 15 3HG2 ILE 15 -5.886 -4.290 4.215 109 HD11 ILE 15 3HD1 ILE 15 -3.291 -3.934 5.583 110 HD12 ILE 15 1HD1 ILE 15 -2.284 -5.372 5.765 111 HD13 ILE 15 2HD1 ILE 15 -2.995 -4.605 7.187 112 H GLU 16 H GLU 16 -8.130 -6.516 3.491 113 HA GLU 16 HA GLU 16 -7.707 -8.119 1.096 114 HB2 GLU 16 1HB GLU 16 -9.810 -8.258 2.429 115 HB3 GLU 16 2HB GLU 16 -10.135 -6.578 2.035 116 HG2 GLU 16 1HG GLU 16 -10.308 -7.139 -0.317 117 HG3 GLU 16 2HG GLU 16 -9.914 -8.820 0.044 118 H THR 17 H THR 17 -6.724 -7.152 -0.559 119 HA THR 17 HA THR 17 -7.025 -4.275 -0.929 120 HB THR 17 HB THR 17 -5.270 -4.800 -2.804 121 HG1 THR 17 HG1 THR 17 -4.284 -6.811 -1.230 122 HG21 THR 17 3HG2 THR 17 -3.457 -4.577 -1.164 123 HG22 THR 17 1HG2 THR 17 -4.585 -4.976 0.130 124 HG23 THR 17 2HG2 THR 17 -4.799 -3.491 -0.799 125 H MET 18 H MET 18 -8.130 -3.389 -2.565 126 HA MET 18 HA MET 18 -9.873 -5.022 -4.126 127 HB2 MET 18 1HB MET 18 -9.260 -2.068 -4.336 128 HB3 MET 18 2HB MET 18 -10.571 -2.890 -5.166 129 HG2 MET 18 1HG MET 18 -10.259 -2.626 -2.184 130 HG3 MET 18 2HG MET 18 -11.366 -1.703 -3.200 131 HE1 MET 18 3HE MET 18 -13.333 -2.404 -1.528 132 HE2 MET 18 1HE MET 18 -12.198 -3.354 -0.575 133 HE3 MET 18 2HE MET 18 -13.714 -4.075 -1.116 134 HA PRO 19 HA PRO 19 -7.494 -6.107 -7.653 135 HB2 PRO 19 1HB PRO 19 -9.854 -5.146 -9.210 136 HB3 PRO 19 2HB PRO 19 -8.991 -6.687 -9.309 137 HG2 PRO 19 1HG PRO 19 -11.345 -6.541 -8.089 138 HG3 PRO 19 2HG PRO 19 -10.042 -7.543 -7.423 139 HD2 PRO 19 1HD PRO 19 -11.049 -4.887 -6.510 140 HD3 PRO 19 2HD PRO 19 -10.438 -6.253 -5.556 141 H VAL 20 H VAL 20 -5.956 -5.064 -8.717 142 HA VAL 20 HA VAL 20 -6.233 -2.182 -9.145 143 HB VAL 20 HB VAL 20 -3.772 -2.174 -9.377 144 HG11 VAL 20 1HG1 VAL 20 -4.765 -3.532 -6.874 145 HG12 VAL 20 2HG1 VAL 20 -4.774 -1.796 -7.191 146 HG13 VAL 20 3HG1 VAL 20 -3.242 -2.658 -7.037 147 HG21 VAL 20 3HG2 VAL 20 -2.486 -4.188 -8.805 148 HG22 VAL 20 1HG2 VAL 20 -3.445 -4.417 -10.267 149 HG23 VAL 20 2HG2 VAL 20 -3.983 -5.119 -8.741 150 HA PRO 21 HA PRO 21 -6.194 -2.409 -13.584 151 HB2 PRO 21 1HB PRO 21 -4.303 -0.513 -14.212 152 HB3 PRO 21 2HB PRO 21 -5.971 -0.143 -13.762 153 HG2 PRO 21 1HG PRO 21 -3.496 -0.086 -12.083 154 HG3 PRO 21 2HG PRO 21 -4.850 1.058 -12.126 155 HD2 PRO 21 1HD PRO 21 -4.622 -0.777 -10.183 156 HD3 PRO 21 2HD PRO 21 -6.206 -0.299 -10.832 157 H LYS 22 H LYS 22 -4.780 -2.837 -15.468 158 HA LYS 22 HA LYS 22 -2.784 -4.799 -14.677 159 HB2 LYS 22 1HB LYS 22 -3.904 -4.162 -17.411 160 HB3 LYS 22 2HB LYS 22 -2.860 -5.520 -17.021 161 HG2 LYS 22 1HG LYS 22 -5.658 -5.069 -16.005 162 HG3 LYS 22 2HG LYS 22 -5.153 -6.247 -17.214 163 HD2 LYS 22 1HD LYS 22 -4.275 -6.197 -14.328 164 HD3 LYS 22 2HD LYS 22 -5.486 -7.278 -15.018 165 HE2 LYS 22 1HE LYS 22 -2.559 -7.162 -15.749 166 HE3 LYS 22 2HE LYS 22 -3.349 -8.414 -14.790 167 HZ1 LYS 22 3HZ LYS 22 -4.767 -8.852 -16.794 168 HZ2 LYS 22 1HZ LYS 22 -3.129 -9.240 -16.980 169 HZ3 LYS 22 2HZ LYS 22 -3.742 -7.827 -17.673 170 H LYS 23 H LYS 23 -2.995 -1.718 -16.308 171 HA LYS 23 HA LYS 23 -0.071 -1.616 -16.319 172 HB2 LYS 23 1HB LYS 23 0.061 -0.684 -18.514 173 HB3 LYS 23 2HB LYS 23 -0.896 -2.150 -18.634 174 HG2 LYS 23 1HG LYS 23 -2.223 0.513 -18.341 175 HG3 LYS 23 2HG LYS 23 -1.648 -0.041 -19.911 176 HD2 LYS 23 1HD LYS 23 -3.054 -2.026 -19.735 177 HD3 LYS 23 2HD LYS 23 -3.606 -1.504 -18.140 178 HE2 LYS 23 1HE LYS 23 -4.696 0.410 -19.064 179 HE3 LYS 23 2HE LYS 23 -3.956 0.140 -20.639 180 HZ1 LYS 23 3HZ LYS 23 -5.898 -1.703 -19.353 181 HZ2 LYS 23 1HZ LYS 23 -5.243 -1.848 -20.909 182 HZ3 LYS 23 2HZ LYS 23 -6.290 -0.565 -20.545 183 H LEU 24 H LEU 24 0.806 0.472 -16.103 184 HA LEU 24 HA LEU 24 -1.137 2.558 -15.384 185 HB2 LEU 24 1HB LEU 24 1.354 1.749 -13.897 186 HB3 LEU 24 2HB LEU 24 0.572 3.299 -13.656 187 HG LEU 24 HG LEU 24 -0.691 0.604 -13.142 188 HD11 LEU 24 1HD1 LEU 24 -0.547 1.283 -10.780 189 HD12 LEU 24 2HD1 LEU 24 0.367 2.713 -11.265 190 HD13 LEU 24 3HD1 LEU 24 1.042 1.105 -11.527 191 HD21 LEU 24 3HD2 LEU 24 -1.703 3.386 -12.575 192 HD22 LEU 24 1HD2 LEU 24 -2.510 1.875 -12.159 193 HD23 LEU 24 2HD2 LEU 24 -2.298 2.326 -13.851 194 H LYS 25 H LYS 25 -0.627 4.619 -15.940 195 HA LYS 25 HA LYS 25 1.554 4.937 -17.869 196 HB2 LYS 25 1HB LYS 25 -0.835 6.692 -17.241 197 HB3 LYS 25 2HB LYS 25 0.346 7.009 -18.503 198 HG2 LYS 25 1HG LYS 25 -0.393 5.233 -19.813 199 HG3 LYS 25 2HG LYS 25 -1.212 4.451 -18.458 200 HD2 LYS 25 1HD LYS 25 -2.813 5.469 -19.996 201 HD3 LYS 25 2HD LYS 25 -2.870 6.242 -18.413 202 HE2 LYS 25 1HE LYS 25 -1.432 8.052 -19.291 203 HE3 LYS 25 2HE LYS 25 -1.495 7.296 -20.882 204 HZ1 LYS 25 3HZ LYS 25 -3.857 7.632 -20.950 205 HZ2 LYS 25 1HZ LYS 25 -3.109 9.115 -20.608 206 HZ3 LYS 25 2HZ LYS 25 -3.868 8.241 -19.369 207 H VAL 26 H VAL 26 2.709 7.087 -17.803 208 HA VAL 26 HA VAL 26 3.750 7.582 -15.202 209 HB VAL 26 HB VAL 26 4.085 9.238 -17.713 210 HG11 VAL 26 1HG1 VAL 26 4.640 10.482 -15.692 211 HG12 VAL 26 2HG1 VAL 26 6.092 10.112 -16.620 212 HG13 VAL 26 3HG1 VAL 26 5.708 9.180 -15.171 213 HG21 VAL 26 3HG2 VAL 26 4.836 6.936 -18.027 214 HG22 VAL 26 1HG2 VAL 26 5.836 7.057 -16.580 215 HG23 VAL 26 2HG2 VAL 26 6.201 8.052 -17.990 216 H GLY 27 H GLY 27 2.748 8.673 -13.666 217 HA2 GLY 27 1HA GLY 27 1.792 10.656 -12.771 218 HA3 GLY 27 2HA GLY 27 1.216 11.073 -14.381 219 H GLU 28 H GLU 28 0.570 7.916 -14.139 220 HA GLU 28 HA GLU 28 -2.225 8.403 -13.574 221 HB2 GLU 28 1HB GLU 28 -1.502 6.946 -15.450 222 HB3 GLU 28 2HB GLU 28 -0.802 5.829 -14.287 223 HG2 GLU 28 1HG GLU 28 -2.937 5.015 -15.046 224 HG3 GLU 28 2HG GLU 28 -3.028 5.440 -13.337 225 H THR 29 H THR 29 -3.175 8.070 -11.670 226 HA THR 29 HA THR 29 -1.608 6.753 -9.564 227 HB THR 29 HB THR 29 -3.992 8.586 -9.247 228 HG1 THR 29 HG1 THR 29 -2.588 10.095 -9.689 229 HG21 THR 29 3HG2 THR 29 -1.948 7.598 -7.252 230 HG22 THR 29 1HG2 THR 29 -3.635 7.092 -7.342 231 HG23 THR 29 2HG2 THR 29 -3.236 8.756 -6.920 232 H ALA 30 H ALA 30 -2.161 4.758 -9.057 233 HA ALA 30 HA ALA 30 -4.857 3.790 -9.630 234 HB1 ALA 30 3HB ALA 30 -2.949 2.414 -10.329 235 HB2 ALA 30 1HB ALA 30 -3.960 1.575 -9.154 236 HB3 ALA 30 2HB ALA 30 -2.428 2.290 -8.648 237 H GLU 31 H GLU 31 -6.378 3.736 -8.106 238 HA GLU 31 HA GLU 31 -5.634 4.260 -5.346 239 HB2 GLU 31 1HB GLU 31 -7.579 5.440 -6.283 240 HB3 GLU 31 2HB GLU 31 -8.369 3.898 -6.585 241 HG2 GLU 31 1HG GLU 31 -8.318 3.444 -4.150 242 HG3 GLU 31 2HG GLU 31 -7.650 5.055 -3.902 243 H ILE 32 H ILE 32 -4.770 2.504 -4.431 244 HA ILE 32 HA ILE 32 -6.135 -0.065 -4.676 245 HB ILE 32 HB ILE 32 -3.639 0.598 -3.094 246 HG12 ILE 32 1HG1 ILE 32 -3.858 -0.582 -5.877 247 HG13 ILE 32 2HG1 ILE 32 -3.344 1.061 -5.515 248 HG21 ILE 32 1HG2 ILE 32 -4.795 -1.436 -2.386 249 HG22 ILE 32 2HG2 ILE 32 -3.253 -1.815 -3.153 250 HG23 ILE 32 3HG2 ILE 32 -4.759 -2.041 -4.042 251 HD11 ILE 32 3HD1 ILE 32 -1.450 -0.385 -5.983 252 HD12 ILE 32 1HD1 ILE 32 -1.927 -1.453 -4.663 253 HD13 ILE 32 2HD1 ILE 32 -1.406 0.197 -4.318 254 H ARG 33 H ARG 33 -7.984 0.066 -3.467 255 HA ARG 33 HA ARG 33 -7.928 1.258 -0.838 256 HB2 ARG 33 1HB ARG 33 -9.947 1.442 -2.253 257 HB3 ARG 33 2HB ARG 33 -10.138 -0.304 -2.189 258 HG2 ARG 33 1HG ARG 33 -10.482 -0.208 0.207 259 HG3 ARG 33 2HG ARG 33 -10.216 1.534 0.195 260 HD2 ARG 33 1HD ARG 33 -12.184 1.853 -1.184 261 HD3 ARG 33 2HD ARG 33 -12.429 0.109 -1.279 262 HE ARG 33 HE ARG 33 -12.366 0.881 1.420 263 HH11 ARG 33 1HH1 ARG 33 -14.406 1.267 -1.403 264 HH12 ARG 33 2HH1 ARG 33 -15.880 1.308 -0.484 265 HH21 ARG 33 1HH2 ARG 33 -14.291 0.968 2.629 266 HH22 ARG 33 2HH2 ARG 33 -15.818 1.154 1.820 267 H CYS 34 H CYS 34 -7.535 0.251 0.992 268 HA CYS 34 HA CYS 34 -7.315 -2.683 0.916 269 HB2 CYS 34 1HB CYS 34 -5.821 -0.745 2.695 270 HB3 CYS 34 2HB CYS 34 -5.577 -2.487 2.609 271 HG CYS 34 HG CYS 34 -4.985 -0.353 -0.004 272 H GLN 35 H GLN 35 -8.623 -3.790 2.194 273 HA GLN 35 HA GLN 35 -9.955 -2.372 4.411 274 HB2 GLN 35 1HB GLN 35 -11.441 -3.187 2.564 275 HB3 GLN 35 2HB GLN 35 -10.910 -4.825 2.917 276 HG2 GLN 35 1HG GLN 35 -13.006 -4.549 3.960 277 HG3 GLN 35 2HG GLN 35 -11.796 -4.503 5.241 278 HE21 GLN 35 2HE2 GLN 35 -13.128 -3.390 6.634 279 HE22 GLN 35 1HE2 GLN 35 -13.530 -1.722 6.403 280 H LEU 36 H LEU 36 -8.992 -2.899 6.287 281 HA LEU 36 HA LEU 36 -7.707 -5.480 6.577 282 HB2 LEU 36 1HB LEU 36 -6.648 -3.402 7.422 283 HB3 LEU 36 2HB LEU 36 -7.966 -3.217 8.561 284 HG LEU 36 HG LEU 36 -6.409 -5.756 8.657 285 HD11 LEU 36 1HD1 LEU 36 -5.423 -3.126 9.754 286 HD12 LEU 36 2HD1 LEU 36 -4.679 -4.047 8.447 287 HD13 LEU 36 3HD1 LEU 36 -4.721 -4.710 10.081 288 HD21 LEU 36 3HD2 LEU 36 -7.558 -3.940 10.778 289 HD22 LEU 36 1HD2 LEU 36 -6.844 -5.530 11.043 290 HD23 LEU 36 2HD2 LEU 36 -8.346 -5.379 10.130 291 H HIS 37 H HIS 37 -8.638 -7.191 7.378 292 HA HIS 37 HA HIS 37 -11.315 -7.028 8.458 293 HB2 HIS 37 1HB HIS 37 -10.277 -8.858 6.888 294 HB3 HIS 37 2HB HIS 37 -9.686 -9.548 8.395 295 HD1 HIS 37 HD1 HIS 37 -11.317 -10.918 9.757 296 HD2 HIS 37 HD2 HIS 37 -13.152 -8.751 6.708 297 HE1 HIS 37 HE1 HIS 37 -13.680 -11.770 9.631 298 HE2 HIS 37 HE2 HIS 37 -14.696 -10.605 7.642 299 H ARG 38 H ARG 38 -11.516 -6.391 10.499 300 HA ARG 38 HA ARG 38 -9.425 -6.987 12.439 301 HB2 ARG 38 1HB ARG 38 -10.397 -4.721 12.341 302 HB3 ARG 38 2HB ARG 38 -11.976 -5.385 12.731 303 HG2 ARG 38 1HG ARG 38 -11.087 -4.455 14.719 304 HG3 ARG 38 2HG ARG 38 -10.996 -6.209 14.885 305 HD2 ARG 38 1HD ARG 38 -8.610 -6.031 14.063 306 HD3 ARG 38 2HD ARG 38 -8.765 -4.287 14.266 307 HE ARG 38 HE ARG 38 -9.230 -6.121 16.523 308 HH11 ARG 38 1HH1 ARG 38 -7.503 -3.413 15.095 309 HH12 ARG 38 2HH1 ARG 38 -6.711 -2.985 16.578 310 HH21 ARG 38 1HH2 ARG 38 -8.210 -5.552 18.459 311 HH22 ARG 38 2HH2 ARG 38 -7.133 -4.197 18.515 312 H ASP 39 H ASP 39 -9.514 -8.985 13.234 313 HA ASP 39 HA ASP 39 -12.134 -10.037 14.058 314 HB2 ASP 39 1HB ASP 39 -9.571 -11.469 13.346 315 HB3 ASP 39 2HB ASP 39 -10.960 -12.273 14.073 316 H GLY 40 H GLY 40 -8.727 -10.038 15.068 317 HA2 GLY 40 1HA GLY 40 -9.144 -11.024 17.652 318 HA3 GLY 40 2HA GLY 40 -7.755 -10.077 17.138 319 H ARG 41 H ARG 41 -10.327 -10.174 19.210 320 HA ARG 41 HA ARG 41 -10.625 -7.271 19.364 321 HB2 ARG 41 1HB ARG 41 -12.073 -9.487 20.817 322 HB3 ARG 41 2HB ARG 41 -12.366 -7.773 21.078 323 HG2 ARG 41 1HG ARG 41 -12.927 -7.596 18.642 324 HG3 ARG 41 2HG ARG 41 -12.859 -9.359 18.577 325 HD2 ARG 41 1HD ARG 41 -15.149 -8.637 18.877 326 HD3 ARG 41 2HD ARG 41 -14.585 -9.467 20.328 327 HE ARG 41 HE ARG 41 -14.119 -7.010 21.089 328 HH11 ARG 41 1HH1 ARG 41 -16.868 -8.221 19.301 329 HH12 ARG 41 2HH1 ARG 41 -17.939 -6.958 19.836 330 HH21 ARG 41 1HH2 ARG 41 -15.516 -5.390 21.846 331 HH22 ARG 41 2HH2 ARG 41 -17.171 -5.341 21.299 332 H PHE 42 H PHE 42 -9.059 -6.335 20.371 333 HA PHE 42 HA PHE 42 -8.420 -7.056 23.118 334 HB2 PHE 42 1HB PHE 42 -6.300 -6.687 20.970 335 HB3 PHE 42 2HB PHE 42 -5.981 -6.840 22.691 336 HD1 PHE 42 HD1 PHE 42 -6.512 -9.009 23.834 337 HD2 PHE 42 HD2 PHE 42 -6.541 -8.575 19.603 338 HE1 PHE 42 HE1 PHE 42 -6.329 -11.450 23.586 339 HE2 PHE 42 HE2 PHE 42 -6.362 -11.017 19.346 340 HZ PHE 42 HZ PHE 42 -6.256 -12.456 21.340 341 H GLU 43 H GLU 43 -6.202 -5.115 23.131 342 HA GLU 43 HA GLU 43 -7.574 -2.639 23.217 343 HB2 GLU 43 1HB GLU 43 -5.353 -1.631 23.439 344 HB3 GLU 43 2HB GLU 43 -5.492 -3.053 24.465 345 HG2 GLU 43 1HG GLU 43 -4.264 -4.371 22.816 346 HG3 GLU 43 2HG GLU 43 -4.124 -2.948 21.783 347 H GLU 44 H GLU 44 -6.657 -0.719 21.828 348 HA GLU 44 HA GLU 44 -7.113 -1.404 19.075 349 HB2 GLU 44 1HB GLU 44 -6.419 1.226 20.376 350 HB3 GLU 44 2HB GLU 44 -6.723 1.031 18.656 351 HG2 GLU 44 1HG GLU 44 -8.982 0.086 19.311 352 HG3 GLU 44 2HG GLU 44 -8.641 0.689 20.933 353 H THR 45 H THR 45 -5.242 -2.905 19.209 354 HA THR 45 HA THR 45 -2.600 -2.106 19.017 355 HB THR 45 HB THR 45 -3.379 -4.481 19.004 356 HG1 THR 45 HG1 THR 45 -1.909 -4.743 16.801 357 HG21 THR 45 3HG2 THR 45 -4.072 -5.522 16.919 358 HG22 THR 45 1HG2 THR 45 -4.008 -3.961 16.100 359 HG23 THR 45 2HG2 THR 45 -5.199 -4.242 17.371 360 H LYS 46 H LYS 46 -1.315 -1.382 17.264 361 HA LYS 46 HA LYS 46 -2.967 0.158 15.388 362 HB2 LYS 46 1HB LYS 46 -0.296 0.833 16.614 363 HB3 LYS 46 2HB LYS 46 -1.099 1.800 15.381 364 HG2 LYS 46 1HG LYS 46 -2.972 2.192 16.863 365 HG3 LYS 46 2HG LYS 46 -2.246 1.156 18.090 366 HD2 LYS 46 1HD LYS 46 -0.341 2.702 18.240 367 HD3 LYS 46 2HD LYS 46 -1.108 3.745 17.041 368 HE2 LYS 46 1HE LYS 46 -1.498 4.551 19.320 369 HE3 LYS 46 2HE LYS 46 -3.002 4.096 18.521 370 HZ1 LYS 46 3HZ LYS 46 -2.979 2.005 19.723 371 HZ2 LYS 46 1HZ LYS 46 -2.907 3.304 20.809 372 HZ3 LYS 46 2HZ LYS 46 -1.508 2.410 20.465 373 H TYR 47 H TYR 47 -2.471 0.297 13.295 374 HA TYR 47 HA TYR 47 -0.739 -1.824 12.291 375 HB2 TYR 47 1HB TYR 47 -2.545 -0.228 10.521 376 HB3 TYR 47 2HB TYR 47 -2.133 -1.936 10.443 377 HD1 TYR 47 HD2 TYR 47 -3.221 -3.521 12.096 378 HD2 TYR 47 HD1 TYR 47 -4.496 0.508 11.613 379 HE1 TYR 47 HE2 TYR 47 -5.361 -4.069 13.184 380 HE2 TYR 47 HE1 TYR 47 -6.635 -0.027 12.696 381 HH TYR 47 HH TYR 47 -8.028 -1.809 13.249 382 H PHE 48 H PHE 48 0.977 -1.410 10.970 383 HA PHE 48 HA PHE 48 1.545 1.411 10.338 384 HB2 PHE 48 1HB PHE 48 3.545 -0.698 11.178 385 HB3 PHE 48 2HB PHE 48 3.916 0.970 10.760 386 HD1 PHE 48 HD2 PHE 48 2.960 2.809 12.221 387 HD2 PHE 48 HD1 PHE 48 2.982 -1.292 13.362 388 HE1 PHE 48 HE2 PHE 48 2.662 3.464 14.576 389 HE2 PHE 48 HE1 PHE 48 2.684 -0.646 15.715 390 HZ PHE 48 HZ PHE 48 2.523 1.735 16.325 391 H ILE 49 H ILE 49 2.709 1.792 8.413 392 HA ILE 49 HA ILE 49 2.739 -0.492 6.556 393 HB ILE 49 HB ILE 49 0.885 1.017 6.040 394 HG12 ILE 49 1HG1 ILE 49 3.096 1.240 3.986 395 HG13 ILE 49 2HG1 ILE 49 2.078 -0.177 4.216 396 HG21 ILE 49 1HG2 ILE 49 1.785 3.090 6.940 397 HG22 ILE 49 2HG2 ILE 49 1.289 3.303 5.261 398 HG23 ILE 49 3HG2 ILE 49 2.998 3.134 5.660 399 HD11 ILE 49 3HD1 ILE 49 1.359 1.199 2.327 400 HD12 ILE 49 1HD1 ILE 49 1.100 2.556 3.425 401 HD13 ILE 49 2HD1 ILE 49 0.119 1.096 3.580 402 H ARG 50 H ARG 50 4.519 -0.809 5.409 403 HA ARG 50 HA ARG 50 6.493 1.273 4.988 404 HB2 ARG 50 1HB ARG 50 7.223 0.514 7.138 405 HB3 ARG 50 2HB ARG 50 7.003 -1.170 6.690 406 HG2 ARG 50 1HG ARG 50 8.861 -0.982 5.104 407 HG3 ARG 50 2HG ARG 50 9.088 0.701 5.586 408 HD2 ARG 50 1HD ARG 50 10.636 -0.917 6.702 409 HD3 ARG 50 2HD ARG 50 9.679 0.068 7.806 410 HE ARG 50 HE ARG 50 8.162 -1.989 7.876 411 HH11 ARG 50 1HH1 ARG 50 11.650 -2.153 7.480 412 HH12 ARG 50 2HH1 ARG 50 11.766 -3.726 8.204 413 HH21 ARG 50 1HH2 ARG 50 8.343 -4.048 8.829 414 HH22 ARG 50 2HH2 ARG 50 9.907 -4.808 8.954 415 H TYR 51 H TYR 51 7.036 1.030 2.876 416 HA TYR 51 HA TYR 51 6.796 -1.686 1.788 417 HB2 TYR 51 1HB TYR 51 6.220 -0.763 -0.347 418 HB3 TYR 51 2HB TYR 51 5.188 -0.020 0.866 419 HD1 TYR 51 HD2 TYR 51 7.896 0.538 -1.537 420 HD2 TYR 51 HD1 TYR 51 5.399 2.353 1.393 421 HE1 TYR 51 HE2 TYR 51 8.521 2.757 -2.386 422 HE2 TYR 51 HE1 TYR 51 6.016 4.576 0.546 423 HH TYR 51 HH TYR 51 7.603 5.690 -0.735 424 H PHE 52 H PHE 52 8.254 -2.404 0.253 425 HA PHE 52 HA PHE 52 10.792 -0.922 0.109 426 HB2 PHE 52 1HB PHE 52 11.017 -2.931 1.525 427 HB3 PHE 52 2HB PHE 52 10.386 -3.927 0.218 428 HD1 PHE 52 HD1 PHE 52 13.184 -1.657 1.107 429 HD2 PHE 52 HD2 PHE 52 11.821 -4.846 -1.358 430 HE1 PHE 52 HE1 PHE 52 15.471 -1.974 0.258 431 HE2 PHE 52 HE2 PHE 52 14.104 -5.169 -2.213 432 HZ PHE 52 HZ PHE 52 15.932 -3.731 -1.405 433 H GLN 53 H GLN 53 11.265 -0.332 -1.901 434 HA GLN 53 HA GLN 53 9.947 -1.755 -4.113 435 HB2 GLN 53 1HB GLN 53 9.283 0.628 -3.800 436 HB3 GLN 53 2HB GLN 53 10.955 1.099 -4.063 437 HG2 GLN 53 1HG GLN 53 10.860 0.204 -6.325 438 HG3 GLN 53 2HG GLN 53 9.192 -0.301 -6.061 439 HE21 GLN 53 2HE2 GLN 53 10.517 2.684 -4.826 440 HE22 GLN 53 1HE2 GLN 53 9.597 3.738 -5.836 441 HA PRO 54 HA PRO 54 14.356 -2.820 -4.640 442 HB2 PRO 54 1HB PRO 54 13.861 -5.019 -6.183 443 HB3 PRO 54 2HB PRO 54 13.864 -5.045 -4.416 444 HG2 PRO 54 1HG PRO 54 11.553 -4.898 -6.308 445 HG3 PRO 54 2HG PRO 54 11.712 -5.828 -4.807 446 HD2 PRO 54 1HD PRO 54 10.334 -3.502 -4.947 447 HD3 PRO 54 2HD PRO 54 11.200 -4.011 -3.483 448 H ASP 55 H ASP 55 11.908 -3.078 -7.217 449 HA ASP 55 HA ASP 55 13.573 -1.420 -8.937 450 HB2 ASP 55 1HB ASP 55 12.689 -4.221 -9.633 451 HB3 ASP 55 2HB ASP 55 13.068 -3.030 -10.872 452 H GLY 56 H GLY 56 12.356 0.124 -9.698 453 HA2 GLY 56 1HA GLY 56 10.204 0.105 -11.265 454 HA3 GLY 56 2HA GLY 56 9.461 -0.141 -9.688 455 H ALA 57 H ALA 57 8.527 2.004 -10.672 456 HA ALA 57 HA ALA 57 9.744 4.105 -9.115 457 HB1 ALA 57 3HB ALA 57 9.901 5.717 -10.913 458 HB2 ALA 57 1HB ALA 57 9.334 4.517 -12.074 459 HB3 ALA 57 2HB ALA 57 10.895 4.309 -11.283 460 H GLY 58 H GLY 58 7.966 4.349 -7.890 461 HA2 GLY 58 1HA GLY 58 5.734 5.710 -9.134 462 HA3 GLY 58 2HA GLY 58 5.339 4.173 -8.375 463 H THR 59 H THR 59 4.509 6.915 -7.712 464 HA THR 59 HA THR 59 5.724 7.277 -5.068 465 HB THR 59 HB THR 59 3.630 8.990 -6.428 466 HG1 THR 59 HG1 THR 59 6.420 8.879 -6.683 467 HG21 THR 59 3HG2 THR 59 5.524 9.558 -4.143 468 HG22 THR 59 1HG2 THR 59 3.786 9.301 -4.007 469 HG23 THR 59 2HG2 THR 59 4.404 10.714 -4.865 470 H LEU 60 H LEU 60 4.827 6.089 -3.492 471 HA LEU 60 HA LEU 60 2.008 5.359 -3.671 472 HB2 LEU 60 1HB LEU 60 3.673 3.596 -3.200 473 HB3 LEU 60 2HB LEU 60 4.131 4.437 -1.731 474 HG LEU 60 HG LEU 60 1.871 4.080 -0.823 475 HD11 LEU 60 1HD1 LEU 60 1.412 2.484 -3.339 476 HD12 LEU 60 2HD1 LEU 60 0.635 4.011 -2.923 477 HD13 LEU 60 3HD1 LEU 60 0.324 2.571 -1.954 478 HD21 LEU 60 3HD2 LEU 60 3.639 2.467 -0.346 479 HD22 LEU 60 1HD2 LEU 60 3.210 1.562 -1.797 480 HD23 LEU 60 2HD2 LEU 60 2.068 1.674 -0.458 481 H LYS 61 H LYS 61 0.648 6.779 -2.862 482 HA LYS 61 HA LYS 61 1.375 8.221 -0.401 483 HB2 LYS 61 1HB LYS 61 -0.896 8.803 -2.308 484 HB3 LYS 61 2HB LYS 61 -0.342 9.820 -0.987 485 HG2 LYS 61 1HG LYS 61 1.746 10.231 -2.149 486 HG3 LYS 61 2HG LYS 61 1.245 9.153 -3.458 487 HD2 LYS 61 1HD LYS 61 -0.707 10.623 -3.855 488 HD3 LYS 61 2HD LYS 61 -0.088 11.730 -2.629 489 HE2 LYS 61 1HE LYS 61 1.951 12.035 -3.949 490 HE3 LYS 61 2HE LYS 61 1.316 10.939 -5.176 491 HZ1 LYS 61 3HZ LYS 61 0.105 13.528 -4.365 492 HZ2 LYS 61 1HZ LYS 61 -0.527 12.467 -5.535 493 HZ3 LYS 61 2HZ LYS 61 0.962 13.234 -5.799 494 H MET 62 H MET 62 -0.077 8.256 1.335 495 HA MET 62 HA MET 62 -2.069 6.112 1.323 496 HB2 MET 62 1HB MET 62 -0.386 6.287 3.179 497 HB3 MET 62 2HB MET 62 -1.128 7.810 3.647 498 HG2 MET 62 1HG MET 62 -3.143 6.741 4.273 499 HG3 MET 62 2HG MET 62 -2.655 5.226 3.515 500 HE1 MET 62 3HE MET 62 -0.312 7.547 5.655 501 HE2 MET 62 1HE MET 62 -0.576 6.912 7.280 502 HE3 MET 62 2HE MET 62 -1.878 7.756 6.442 503 H SER 63 H SER 63 -4.194 6.670 2.446 504 HA SER 63 HA SER 63 -5.555 8.542 0.936 505 HB2 SER 63 1HB SER 63 -7.305 8.263 2.876 506 HB3 SER 63 2HB SER 63 -6.907 6.900 1.827 507 HG SER 63 HG SER 63 -6.383 7.293 4.514 508 H ASP 64 H ASP 64 -3.784 9.039 3.857 509 HA ASP 64 HA ASP 64 -5.056 11.482 4.627 510 HB2 ASP 64 1HB ASP 64 -2.390 10.292 5.414 511 HB3 ASP 64 2HB ASP 64 -3.123 11.702 6.171 512 H GLY 65 H GLY 65 -3.120 10.784 2.043 513 HA2 GLY 65 1HA GLY 65 -2.238 12.299 0.490 514 HA3 GLY 65 2HA GLY 65 -2.389 13.580 1.685 515 H THR 66 H THR 66 -1.019 10.899 3.056 516 HA THR 66 HA THR 66 1.545 12.174 3.262 517 HB THR 66 HB THR 66 0.572 9.524 4.348 518 HG1 THR 66 HG1 THR 66 0.596 12.180 5.316 519 HG21 THR 66 3HG2 THR 66 2.505 9.634 5.842 520 HG22 THR 66 1HG2 THR 66 3.048 11.112 5.046 521 HG23 THR 66 2HG2 THR 66 3.018 9.589 4.155 522 H VAL 67 H VAL 67 3.081 11.947 1.813 523 HA VAL 67 HA VAL 67 3.167 9.752 -0.040 524 HB VAL 67 HB VAL 67 5.228 11.900 0.524 525 HG11 VAL 67 1HG1 VAL 67 6.188 11.287 -1.642 526 HG12 VAL 67 2HG1 VAL 67 5.002 9.992 -1.807 527 HG13 VAL 67 3HG1 VAL 67 6.213 9.919 -0.529 528 HG21 VAL 67 3HG2 VAL 67 3.123 12.833 -0.269 529 HG22 VAL 67 1HG2 VAL 67 3.115 11.706 -1.626 530 HG23 VAL 67 2HG2 VAL 67 4.358 12.953 -1.522 531 H LEU 68 H LEU 68 3.841 7.808 0.527 532 HA LEU 68 HA LEU 68 5.280 7.420 2.999 533 HB2 LEU 68 1HB LEU 68 4.406 5.373 0.960 534 HB3 LEU 68 2HB LEU 68 4.880 5.067 2.621 535 HG LEU 68 HG LEU 68 2.443 6.649 1.804 536 HD11 LEU 68 1HD1 LEU 68 2.680 3.815 2.799 537 HD12 LEU 68 2HD1 LEU 68 2.219 4.313 1.171 538 HD13 LEU 68 3HD1 LEU 68 1.174 4.694 2.540 539 HD21 LEU 68 3HD2 LEU 68 3.351 7.297 3.976 540 HD22 LEU 68 1HD2 LEU 68 3.335 5.609 4.492 541 HD23 LEU 68 2HD2 LEU 68 1.818 6.443 4.155 542 H LEU 69 H LEU 69 7.263 6.240 3.172 543 HA LEU 69 HA LEU 69 8.906 6.306 0.738 544 HB2 LEU 69 1HB LEU 69 9.690 7.211 3.510 545 HB3 LEU 69 2HB LEU 69 10.815 7.018 2.179 546 HG LEU 69 HG LEU 69 8.503 8.960 2.236 547 HD11 LEU 69 1HD1 LEU 69 10.267 9.594 3.783 548 HD12 LEU 69 2HD1 LEU 69 10.224 10.677 2.391 549 HD13 LEU 69 3HD1 LEU 69 11.465 9.430 2.499 550 HD21 LEU 69 3HD2 LEU 69 10.699 8.539 0.214 551 HD22 LEU 69 1HD2 LEU 69 9.531 9.861 0.196 552 HD23 LEU 69 2HD2 LEU 69 8.983 8.199 -0.014 553 HA PRO 70 HA PRO 70 10.108 2.204 1.873 554 HB2 PRO 70 1HB PRO 70 12.786 2.622 0.797 555 HB3 PRO 70 2HB PRO 70 11.468 1.642 0.150 556 HG2 PRO 70 1HG PRO 70 12.316 3.924 -1.043 557 HG3 PRO 70 2HG PRO 70 10.636 3.363 -1.124 558 HD2 PRO 70 1HD PRO 70 11.846 5.469 0.633 559 HD3 PRO 70 2HD PRO 70 10.299 5.484 -0.241 560 H ASN 71 H ASN 71 11.289 1.032 3.343 561 HA ASN 71 HA ASN 71 12.720 0.499 5.013 562 HB2 ASN 71 1HB ASN 71 14.044 3.122 4.342 563 HB3 ASN 71 2HB ASN 71 14.597 2.071 5.641 564 HD21 ASN 71 2HD2 ASN 71 15.936 2.910 3.200 565 HD22 ASN 71 1HD2 ASN 71 16.363 1.449 2.366 566 H ASP 72 H ASP 72 11.789 3.955 5.259 567 HA ASP 72 HA ASP 72 11.543 3.674 8.119 568 HB2 ASP 72 1HB ASP 72 10.646 6.026 8.036 569 HB3 ASP 72 2HB ASP 72 12.280 5.812 7.428 570 H LEU 73 H LEU 73 9.439 4.537 9.168 571 HA LEU 73 HA LEU 73 7.326 2.822 8.022 572 HB2 LEU 73 1HB LEU 73 8.572 1.823 9.915 573 HB3 LEU 73 2HB LEU 73 8.091 3.175 10.919 574 HG LEU 73 HG LEU 73 5.702 2.475 10.566 575 HD11 LEU 73 1HD1 LEU 73 5.298 0.199 9.786 576 HD12 LEU 73 2HD1 LEU 73 7.011 0.021 9.409 577 HD13 LEU 73 3HD1 LEU 73 6.030 1.187 8.521 578 HD21 LEU 73 3HD2 LEU 73 6.924 1.940 12.608 579 HD22 LEU 73 1HD2 LEU 73 7.564 0.482 11.853 580 HD23 LEU 73 2HD2 LEU 73 5.835 0.626 12.166 581 H TYR 74 H TYR 74 5.283 3.556 8.001 582 HA TYR 74 HA TYR 74 4.654 5.996 9.531 583 HB2 TYR 74 1HB TYR 74 3.883 5.257 6.713 584 HB3 TYR 74 2HB TYR 74 2.947 6.421 7.646 585 HD1 TYR 74 HD1 TYR 74 4.058 8.522 8.433 586 HD2 TYR 74 HD2 TYR 74 5.917 5.882 5.662 587 HE1 TYR 74 HE1 TYR 74 5.598 10.319 7.767 588 HE2 TYR 74 HE2 TYR 74 7.463 7.672 4.991 589 HH TYR 74 HH TYR 74 7.558 10.136 5.006 590 HA PRO 75 HA PRO 75 1.339 3.523 11.135 591 HB2 PRO 75 1HB PRO 75 -0.100 5.834 12.039 592 HB3 PRO 75 2HB PRO 75 0.953 4.774 12.973 593 HG2 PRO 75 1HG PRO 75 1.507 7.411 12.377 594 HG3 PRO 75 2HG PRO 75 2.723 6.196 12.809 595 HD2 PRO 75 1HD PRO 75 1.939 7.228 10.112 596 HD3 PRO 75 2HD PRO 75 3.548 6.800 10.735 597 H LEU 76 H LEU 76 -0.689 2.803 10.615 598 HA LEU 76 HA LEU 76 -1.952 3.985 8.277 599 HB2 LEU 76 1HB LEU 76 -2.474 1.441 9.811 600 HB3 LEU 76 2HB LEU 76 -3.457 1.965 8.456 601 HG LEU 76 HG LEU 76 -0.501 1.370 8.317 602 HD11 LEU 76 1HD1 LEU 76 -1.162 -0.626 7.077 603 HD12 LEU 76 2HD1 LEU 76 -2.861 -0.244 7.358 604 HD13 LEU 76 3HD1 LEU 76 -1.812 -0.652 8.716 605 HD21 LEU 76 3HD2 LEU 76 -1.267 3.053 6.705 606 HD22 LEU 76 1HD2 LEU 76 -2.506 1.936 6.138 607 HD23 LEU 76 2HD2 LEU 76 -0.803 1.549 5.912 608 HA PRO 77 HA PRO 77 -4.974 6.220 10.493 609 HB2 PRO 77 1HB PRO 77 -6.954 6.385 8.658 610 HB3 PRO 77 2HB PRO 77 -5.424 7.258 8.501 611 HG2 PRO 77 1HG PRO 77 -6.299 4.712 7.201 612 HG3 PRO 77 2HG PRO 77 -5.415 6.081 6.504 613 HD2 PRO 77 1HD PRO 77 -4.205 3.778 7.300 614 HD3 PRO 77 2HD PRO 77 -3.397 5.358 7.322 615 H GLY 78 H GLY 78 -5.817 3.031 9.351 616 HA2 GLY 78 1HA GLY 78 -7.234 2.255 11.560 617 HA3 GLY 78 2HA GLY 78 -8.437 2.995 10.517 618 H GLU 79 H GLU 79 -9.488 0.963 10.378 619 HA GLU 79 HA GLU 79 -8.163 -1.346 9.365 620 HB2 GLU 79 1HB GLU 79 -11.104 -0.684 9.585 621 HB3 GLU 79 2HB GLU 79 -10.479 -2.255 9.111 622 HG2 GLU 79 1HG GLU 79 -11.096 -2.366 11.404 623 HG3 GLU 79 2HG GLU 79 -9.337 -2.396 11.317 624 H THR 80 H THR 80 -10.389 1.025 7.917 625 HA THR 80 HA THR 80 -9.684 -0.080 5.293 626 HB THR 80 HB THR 80 -12.119 -0.029 5.878 627 HG1 THR 80 HG1 THR 80 -11.952 -0.071 3.757 628 HG21 THR 80 3HG2 THR 80 -12.145 2.079 7.136 629 HG22 THR 80 1HG2 THR 80 -13.324 2.085 5.823 630 HG23 THR 80 2HG2 THR 80 -11.804 2.963 5.648 631 H PHE 81 H PHE 81 -8.561 1.110 3.882 632 HA PHE 81 HA PHE 81 -8.438 3.980 4.078 633 HB2 PHE 81 1HB PHE 81 -5.955 4.055 4.311 634 HB3 PHE 81 2HB PHE 81 -6.776 3.468 5.751 635 HD1 PHE 81 HD1 PHE 81 -6.669 1.077 6.350 636 HD2 PHE 81 HD2 PHE 81 -4.447 2.675 3.087 637 HE1 PHE 81 HE1 PHE 81 -5.234 -0.920 6.355 638 HE2 PHE 81 HE2 PHE 81 -3.009 0.676 3.086 639 HZ PHE 81 HZ PHE 81 -3.403 -1.122 4.722 640 H ARG 82 H ARG 82 -6.751 4.814 2.420 641 HA ARG 82 HA ARG 82 -7.004 3.146 -0.001 642 HB2 ARG 82 1HB ARG 82 -7.096 6.162 0.205 643 HB3 ARG 82 2HB ARG 82 -7.190 5.238 -1.285 644 HG2 ARG 82 1HG ARG 82 -9.314 4.339 -0.680 645 HG3 ARG 82 2HG ARG 82 -9.194 5.014 0.948 646 HD2 ARG 82 1HD ARG 82 -9.228 7.269 0.018 647 HD3 ARG 82 2HD ARG 82 -9.323 6.603 -1.612 648 HE ARG 82 HE ARG 82 -11.509 5.637 -0.912 649 HH11 ARG 82 1HH1 ARG 82 -10.196 8.471 0.695 650 HH12 ARG 82 2HH1 ARG 82 -11.749 9.041 1.240 651 HH21 ARG 82 1HH2 ARG 82 -13.554 6.422 -0.258 652 HH22 ARG 82 2HH2 ARG 82 -13.663 7.887 0.670 653 H LEU 83 H LEU 83 -5.200 2.810 -1.164 654 HA LEU 83 HA LEU 83 -2.832 4.433 -0.517 655 HB2 LEU 83 1HB LEU 83 -3.008 1.646 -1.664 656 HB3 LEU 83 2HB LEU 83 -1.520 2.557 -1.509 657 HG LEU 83 HG LEU 83 -3.272 1.609 0.757 658 HD11 LEU 83 1HD1 LEU 83 -1.346 0.198 1.315 659 HD12 LEU 83 2HD1 LEU 83 -0.522 0.756 -0.142 660 HD13 LEU 83 3HD1 LEU 83 -2.008 -0.183 -0.274 661 HD21 LEU 83 3HD2 LEU 83 -1.487 2.470 2.213 662 HD22 LEU 83 1HD2 LEU 83 -2.285 3.752 1.301 663 HD23 LEU 83 2HD2 LEU 83 -0.696 3.175 0.803 664 H TYR 84 H TYR 84 -2.403 5.912 -1.982 665 HA TYR 84 HA TYR 84 -3.429 5.557 -4.703 666 HB2 TYR 84 1HB TYR 84 -2.580 7.991 -3.143 667 HB3 TYR 84 2HB TYR 84 -2.836 8.040 -4.885 668 HD1 TYR 84 HD2 TYR 84 -5.092 7.548 -5.806 669 HD2 TYR 84 HD1 TYR 84 -4.424 7.989 -1.628 670 HE1 TYR 84 HE2 TYR 84 -7.502 7.864 -5.463 671 HE2 TYR 84 HE1 TYR 84 -6.841 8.304 -1.271 672 HH TYR 84 HH TYR 84 -9.146 7.540 -3.616 673 H TYR 85 H TYR 85 -1.993 4.437 -5.842 674 HA TYR 85 HA TYR 85 0.847 5.074 -5.598 675 HB2 TYR 85 1HB TYR 85 0.147 2.707 -5.496 676 HB3 TYR 85 2HB TYR 85 -0.541 2.847 -7.108 677 HD1 TYR 85 HD2 TYR 85 2.661 3.072 -5.234 678 HD2 TYR 85 HD1 TYR 85 0.785 2.463 -9.002 679 HE1 TYR 85 HE2 TYR 85 4.832 2.441 -6.206 680 HE2 TYR 85 HE1 TYR 85 2.948 1.831 -9.984 681 HH TYR 85 HH TYR 85 5.282 2.086 -9.605 682 H THR 86 H THR 86 1.221 6.895 -6.727 683 HA THR 86 HA THR 86 0.179 7.226 -9.414 684 HB THR 86 HB THR 86 2.156 8.955 -7.901 685 HG1 THR 86 HG1 THR 86 -0.678 9.203 -8.222 686 HG21 THR 86 3HG2 THR 86 1.505 10.693 -9.509 687 HG22 THR 86 1HG2 THR 86 0.465 9.534 -10.342 688 HG23 THR 86 2HG2 THR 86 2.212 9.298 -10.326 689 H SER 87 H SER 87 1.101 6.081 -10.975 690 HA SER 87 HA SER 87 3.680 4.926 -10.776 691 HB2 SER 87 1HB SER 87 1.876 3.909 -12.098 692 HB3 SER 87 2HB SER 87 1.901 5.286 -13.199 693 HG SER 87 HG SER 87 3.186 3.854 -14.184 694 H ALA 88 H ALA 88 5.603 5.457 -11.769 695 HA ALA 88 HA ALA 88 5.698 8.051 -13.158 696 HB1 ALA 88 3HB ALA 88 6.479 8.354 -10.869 697 HB2 ALA 88 1HB ALA 88 7.808 8.547 -12.011 698 HB3 ALA 88 2HB ALA 88 7.653 7.055 -11.085 699 H SER 89 H SER 89 5.876 4.988 -13.794 700 HA SER 89 HA SER 89 8.053 5.304 -15.702 701 HB2 SER 89 1HB SER 89 8.959 3.052 -15.132 702 HB3 SER 89 2HB SER 89 9.164 4.231 -13.838 703 HG SER 89 HG SER 89 7.317 2.095 -14.015 704 H THR 90 H THR 90 8.009 3.724 -17.424 705 HA THR 90 HA THR 90 5.311 2.645 -17.875 706 HB THR 90 HB THR 90 6.245 4.156 -19.620 707 HG1 THR 90 HG1 THR 90 5.370 1.569 -20.042 708 HG21 THR 90 3HG2 THR 90 8.058 3.357 -21.063 709 HG22 THR 90 1HG2 THR 90 8.273 1.949 -20.021 710 HG23 THR 90 2HG2 THR 90 8.611 3.565 -19.403 711 H ASP 91 H ASP 91 8.360 1.739 -16.885 712 HA ASP 91 HA ASP 91 8.480 -0.898 -18.011 713 HB2 ASP 91 1HB ASP 91 9.938 0.253 -15.617 714 HB3 ASP 91 2HB ASP 91 10.341 -1.247 -16.445 715 H GLN 92 H GLN 92 8.780 -2.767 -16.273 716 HA GLN 92 HA GLN 92 6.293 -3.037 -14.921 717 HB2 GLN 92 1HB GLN 92 7.041 -5.194 -14.263 718 HB3 GLN 92 2HB GLN 92 7.640 -4.937 -15.890 719 HG2 GLN 92 1HG GLN 92 9.543 -5.740 -15.029 720 HG3 GLN 92 2HG GLN 92 9.756 -4.083 -14.466 721 HE21 GLN 92 2HE2 GLN 92 8.839 -7.324 -13.553 722 HE22 GLN 92 1HE2 GLN 92 9.006 -7.099 -11.845 723 H GLN 93 H GLN 93 5.988 -3.238 -12.649 724 HA GLN 93 HA GLN 93 7.986 -1.760 -11.069 725 HB2 GLN 93 1HB GLN 93 4.988 -1.365 -11.059 726 HB3 GLN 93 2HB GLN 93 6.107 -0.606 -9.932 727 HG2 GLN 93 1HG GLN 93 7.101 0.686 -11.632 728 HG3 GLN 93 2HG GLN 93 6.329 -0.257 -12.905 729 HE21 GLN 93 2HE2 GLN 93 6.293 2.621 -12.376 730 HE22 GLN 93 1HE2 GLN 93 4.616 3.041 -12.260 731 H THR 94 H THR 94 8.691 -3.031 -9.506 732 HA THR 94 HA THR 94 6.818 -4.963 -8.307 733 HB THR 94 HB THR 94 9.843 -5.017 -8.203 734 HG1 THR 94 HG1 THR 94 9.050 -5.353 -10.346 735 HG21 THR 94 3HG2 THR 94 9.525 -7.333 -7.464 736 HG22 THR 94 1HG2 THR 94 7.776 -7.115 -7.520 737 HG23 THR 94 2HG2 THR 94 8.741 -6.201 -6.361 738 H VAL 95 H VAL 95 5.927 -4.028 -6.578 739 HA VAL 95 HA VAL 95 7.719 -2.678 -4.664 740 HB VAL 95 HB VAL 95 4.785 -2.071 -5.086 741 HG11 VAL 95 1HG1 VAL 95 5.516 -1.658 -2.814 742 HG12 VAL 95 2HG1 VAL 95 5.240 -0.127 -3.647 743 HG13 VAL 95 3HG1 VAL 95 6.885 -0.714 -3.401 744 HG21 VAL 95 3HG2 VAL 95 5.540 0.053 -6.063 745 HG22 VAL 95 1HG2 VAL 95 6.068 -1.333 -7.018 746 HG23 VAL 95 2HG2 VAL 95 7.211 -0.501 -5.961 747 H ASP 96 H ASP 96 8.025 -3.979 -2.987 748 HA ASP 96 HA ASP 96 5.910 -5.784 -2.115 749 HB2 ASP 96 1HB ASP 96 8.808 -5.446 -1.349 750 HB3 ASP 96 2HB ASP 96 7.713 -6.411 -0.367 751 H VAL 97 H VAL 97 4.391 -4.950 -0.834 752 HA VAL 97 HA VAL 97 5.142 -2.748 0.951 753 HB VAL 97 HB VAL 97 2.361 -3.685 0.227 754 HG11 VAL 97 1HG1 VAL 97 1.660 -1.526 1.149 755 HG12 VAL 97 2HG1 VAL 97 3.330 -1.177 1.600 756 HG13 VAL 97 3HG1 VAL 97 2.472 -2.517 2.360 757 HG21 VAL 97 3HG2 VAL 97 2.271 -1.699 -1.220 758 HG22 VAL 97 1HG2 VAL 97 3.501 -2.848 -1.747 759 HG23 VAL 97 2HG2 VAL 97 3.972 -1.388 -0.879 760 H TYR 98 H TYR 98 5.479 -3.158 3.011 761 HA TYR 98 HA TYR 98 4.512 -5.656 4.166 762 HB2 TYR 98 1HB TYR 98 6.490 -3.591 5.133 763 HB3 TYR 98 2HB TYR 98 5.955 -4.941 6.124 764 HD1 TYR 98 HD2 TYR 98 7.577 -4.180 2.849 765 HD2 TYR 98 HD1 TYR 98 7.076 -6.960 6.028 766 HE1 TYR 98 HE2 TYR 98 9.346 -5.593 1.887 767 HE2 TYR 98 HE1 TYR 98 8.842 -8.375 5.078 768 HH TYR 98 HH TYR 98 9.949 -8.797 3.025 769 H PHE 99 H PHE 99 2.683 -5.675 5.260 770 HA PHE 99 HA PHE 99 1.879 -3.238 6.695 771 HB2 PHE 99 1HB PHE 99 0.262 -5.610 5.751 772 HB3 PHE 99 2HB PHE 99 -0.373 -4.378 6.835 773 HD1 PHE 99 HD1 PHE 99 -0.432 -1.987 6.026 774 HD2 PHE 99 HD2 PHE 99 0.252 -5.294 3.436 775 HE1 PHE 99 HE1 PHE 99 -1.080 -0.605 4.097 776 HE2 PHE 99 HE2 PHE 99 -0.395 -3.915 1.503 777 HZ PHE 99 HZ PHE 99 -1.064 -1.567 1.833 778 H GLN 100 H GLN 100 2.429 -3.258 8.748 779 HA GLN 100 HA GLN 100 2.530 -5.852 10.135 780 HB2 GLN 100 1HB GLN 100 4.434 -4.930 11.452 781 HB3 GLN 100 2HB GLN 100 4.790 -5.136 9.745 782 HG2 GLN 100 1HG GLN 100 4.252 -2.689 9.466 783 HG3 GLN 100 2HG GLN 100 4.250 -2.585 11.226 784 HE21 GLN 100 2HE2 GLN 100 6.181 -2.876 12.349 785 HE22 GLN 100 1HE2 GLN 100 7.722 -2.732 11.567 786 H ASP 101 H ASP 101 1.714 -5.948 12.157 787 HA ASP 101 HA ASP 101 0.435 -3.499 13.191 788 HB2 ASP 101 1HB ASP 101 -1.238 -5.098 12.475 789 HB3 ASP 101 2HB ASP 101 -0.457 -6.389 13.380 790 H SER 102 H SER 102 0.251 -3.412 15.602 791 HA SER 102 HA SER 102 2.819 -3.996 16.700 792 HB2 SER 102 1HB SER 102 1.692 -3.068 18.851 793 HB3 SER 102 2HB SER 102 1.984 -1.993 17.488 794 HG SER 102 HG SER 102 -0.480 -3.351 17.707 795 H PHE 103 H PHE 103 0.117 -5.933 16.403 796 HA PHE 103 HA PHE 103 0.587 -7.557 18.734 797 HB2 PHE 103 1HB PHE 103 -1.604 -7.518 17.597 798 HB3 PHE 103 2HB PHE 103 -0.866 -8.180 16.146 799 HD1 PHE 103 HD2 PHE 103 -1.558 -8.930 19.710 800 HD2 PHE 103 HD1 PHE 103 -0.707 -10.486 15.841 801 HE1 PHE 103 HE2 PHE 103 -2.028 -11.207 20.523 802 HE2 PHE 103 HE1 PHE 103 -1.176 -12.761 16.645 803 HZ PHE 103 HZ PHE 103 -1.836 -13.123 18.991 804 H GLY 104 H GLY 104 2.055 -7.116 15.687 805 HA2 GLY 104 1HA GLY 104 4.277 -8.014 15.373 806 HA3 GLY 104 2HA GLY 104 3.742 -9.487 16.166 807 H GLN 105 H GLN 105 1.191 -8.822 14.359 808 HA GLN 105 HA GLN 105 1.746 -10.822 12.445 809 HB2 GLN 105 1HB GLN 105 -0.525 -10.328 13.253 810 HB3 GLN 105 2HB GLN 105 -0.466 -8.756 12.467 811 HG2 GLN 105 1HG GLN 105 -1.759 -10.387 11.187 812 HG3 GLN 105 2HG GLN 105 -0.355 -9.808 10.294 813 HE21 GLN 105 2HE2 GLN 105 -1.799 -12.518 11.931 814 HE22 GLN 105 1HE2 GLN 105 -0.719 -13.723 11.321 815 H LEU 106 H LEU 106 2.180 -10.700 10.269 816 HA LEU 106 HA LEU 106 2.901 -8.077 9.170 817 HB2 LEU 106 1HB LEU 106 4.882 -9.266 10.255 818 HB3 LEU 106 2HB LEU 106 4.713 -10.490 9.018 819 HG LEU 106 HG LEU 106 6.525 -8.842 8.585 820 HD11 LEU 106 1HD1 LEU 106 5.998 -8.434 6.242 821 HD12 LEU 106 2HD1 LEU 106 4.307 -8.829 6.551 822 HD13 LEU 106 3HD1 LEU 106 5.549 -10.069 6.726 823 HD21 LEU 106 3HD2 LEU 106 4.243 -6.908 8.265 824 HD22 LEU 106 1HD2 LEU 106 5.921 -6.598 7.823 825 HD23 LEU 106 2HD2 LEU 106 5.491 -6.868 9.512 826 H GLN 107 H GLN 107 1.803 -7.913 7.313 827 HA GLN 107 HA GLN 107 1.655 -10.317 5.624 828 HB2 GLN 107 1HB GLN 107 -0.404 -8.321 6.290 829 HB3 GLN 107 2HB GLN 107 -0.304 -8.747 4.583 830 HG2 GLN 107 1HG GLN 107 -0.489 -11.121 5.192 831 HG3 GLN 107 2HG GLN 107 -0.668 -10.653 6.879 832 HE21 GLN 107 2HE2 GLN 107 -2.654 -11.677 6.955 833 HE22 GLN 107 1HE2 GLN 107 -4.067 -10.981 6.260 834 H GLN 108 H GLN 108 3.028 -10.226 4.064 835 HA GLN 108 HA GLN 108 3.888 -7.670 2.972 836 HB2 GLN 108 1HB GLN 108 5.654 -9.185 3.543 837 HB3 GLN 108 2HB GLN 108 4.889 -10.498 2.660 838 HG2 GLN 108 1HG GLN 108 5.305 -9.333 0.559 839 HG3 GLN 108 2HG GLN 108 6.068 -8.010 1.442 840 HE21 GLN 108 2HE2 GLN 108 7.995 -8.368 0.284 841 HE22 GLN 108 1HE2 GLN 108 9.044 -9.692 0.666 842 H LEU 109 H LEU 109 2.716 -6.867 1.375 843 HA LEU 109 HA LEU 109 1.492 -8.723 -0.546 844 HB2 LEU 109 1HB LEU 109 0.863 -5.826 0.042 845 HB3 LEU 109 2HB LEU 109 0.072 -6.790 -1.189 846 HG LEU 109 HG LEU 109 -0.053 -7.258 1.791 847 HD11 LEU 109 1HD1 LEU 109 -2.400 -6.684 1.547 848 HD12 LEU 109 2HD1 LEU 109 -2.161 -6.391 -0.177 849 HD13 LEU 109 3HD1 LEU 109 -1.374 -5.353 1.011 850 HD21 LEU 109 3HD2 LEU 109 -1.681 -9.011 1.237 851 HD22 LEU 109 1HD2 LEU 109 -0.075 -9.374 0.602 852 HD23 LEU 109 2HD2 LEU 109 -1.334 -8.774 -0.476 853 H THR 110 H THR 110 2.660 -9.020 -2.306 854 HA THR 110 HA THR 110 4.545 -6.974 -3.165 855 HB THR 110 HB THR 110 4.116 -9.730 -4.337 856 HG1 THR 110 HG1 THR 110 6.137 -8.989 -2.460 857 HG21 THR 110 3HG2 THR 110 5.338 -8.167 -5.776 858 HG22 THR 110 1HG2 THR 110 6.398 -9.447 -5.181 859 HG23 THR 110 2HG2 THR 110 6.468 -7.838 -4.462 860 H PHE 111 H PHE 111 3.805 -5.463 -4.517 861 HA PHE 111 HA PHE 111 1.664 -6.168 -6.403 862 HB2 PHE 111 1HB PHE 111 2.719 -3.475 -5.511 863 HB3 PHE 111 2HB PHE 111 1.474 -3.695 -6.735 864 HD1 PHE 111 HD1 PHE 111 -0.713 -4.706 -6.090 865 HD2 PHE 111 HD2 PHE 111 2.203 -3.555 -3.214 866 HE1 PHE 111 HE1 PHE 111 -2.441 -4.727 -4.339 867 HE2 PHE 111 HE2 PHE 111 0.479 -3.576 -1.456 868 HZ PHE 111 HZ PHE 111 -1.847 -4.159 -2.019 869 H SER 112 H SER 112 2.191 -6.593 -8.429 870 HA SER 112 HA SER 112 4.612 -5.340 -9.526 871 HB2 SER 112 1HB SER 112 4.796 -7.831 -9.143 872 HB3 SER 112 2HB SER 112 3.529 -8.045 -10.348 873 HG SER 112 HG SER 112 5.739 -6.479 -11.035 874 H PHE 113 H PHE 113 3.946 -3.783 -10.800 875 HA PHE 113 HA PHE 113 1.486 -4.109 -12.358 876 HB2 PHE 113 1HB PHE 113 3.209 -1.663 -11.892 877 HB3 PHE 113 2HB PHE 113 1.720 -1.686 -12.829 878 HD1 PHE 113 HD1 PHE 113 -0.442 -2.158 -11.684 879 HD2 PHE 113 HD2 PHE 113 3.181 -1.521 -9.542 880 HE1 PHE 113 HE1 PHE 113 -1.734 -1.715 -9.638 881 HE2 PHE 113 HE2 PHE 113 1.894 -1.079 -7.493 882 HZ PHE 113 HZ PHE 113 -0.568 -1.177 -7.537 883 H ASN 114 H ASN 114 1.447 -3.771 -14.619 884 HA ASN 114 HA ASN 114 2.150 -4.219 -16.728 885 HB2 ASN 114 1HB ASN 114 4.750 -3.029 -15.720 886 HB3 ASN 114 2HB ASN 114 4.423 -3.422 -17.406 887 HD21 ASN 114 2HD2 ASN 114 4.994 -0.856 -16.051 888 HD22 ASN 114 1HD2 ASN 114 3.680 0.182 -16.486 889 H ASN 115 H ASN 115 1.907 -6.401 -16.604 890 HA ASN 115 HA ASN 115 3.616 -8.085 -15.115 891 HB2 ASN 115 1HB ASN 115 1.295 -8.678 -15.538 892 HB3 ASN 115 2HB ASN 115 1.607 -8.770 -17.267 893 HD21 ASN 115 2HD2 ASN 115 2.540 -10.588 -18.114 894 HD22 ASN 115 1HD2 ASN 115 2.836 -12.024 -17.193 895 H ASP 116 H ASP 116 3.061 -8.380 -18.628 896 HA ASP 116 HA ASP 116 4.368 -9.190 -20.297 897 HB2 ASP 116 1HB ASP 116 6.422 -7.677 -18.706 898 HB3 ASP 116 2HB ASP 116 6.864 -8.561 -20.163 899 H SER 117 H SER 117 6.895 -9.480 -17.929 900 HA SER 117 HA SER 117 7.796 -11.187 -16.766 901 HB2 SER 117 1HB SER 117 5.403 -11.616 -16.151 902 HB3 SER 117 2HB SER 117 5.328 -12.775 -17.474 903 HG SER 117 HG SER 117 5.974 -14.099 -15.966 904 H SER 118 H SER 118 9.499 -11.443 -18.200 905 HA SER 118 HA SER 118 9.405 -13.531 -20.188 906 HB2 SER 118 1HB SER 118 11.957 -13.152 -20.103 907 HB3 SER 118 2HB SER 118 10.967 -11.796 -20.644 908 HG SER 118 HG SER 118 12.629 -11.315 -19.019 909 H LYS 119 H LYS 119 11.637 -13.183 -17.471 910 HA LYS 119 HA LYS 119 12.061 -14.404 -15.618 911 HB2 LYS 119 1HB LYS 119 9.357 -15.639 -16.128 912 HB3 LYS 119 2HB LYS 119 10.253 -15.693 -14.617 913 HG2 LYS 119 1HG LYS 119 9.165 -13.216 -15.938 914 HG3 LYS 119 2HG LYS 119 8.472 -14.039 -14.542 915 HD2 LYS 119 1HD LYS 119 10.493 -13.561 -13.252 916 HD3 LYS 119 2HD LYS 119 11.199 -12.752 -14.653 917 HE2 LYS 119 1HE LYS 119 10.299 -11.088 -13.167 918 HE3 LYS 119 2HE LYS 119 9.310 -11.149 -14.625 919 HZ1 LYS 119 3HZ LYS 119 7.783 -12.656 -13.334 920 HZ2 LYS 119 1HZ LYS 119 7.837 -11.045 -12.799 921 HZ3 LYS 119 2HZ LYS 119 8.671 -12.248 -11.947 922 H GLU 120 H GLU 120 12.567 -15.608 -18.431 923 HA GLU 120 HA GLU 120 12.594 -18.431 -17.836 924 HB2 GLU 120 1HB GLU 120 13.871 -18.698 -19.911 925 HB3 GLU 120 2HB GLU 120 12.432 -17.728 -20.173 926 HG2 GLU 120 1HG GLU 120 15.129 -16.498 -19.721 927 HG3 GLU 120 2HG GLU 120 14.567 -16.987 -21.318 928 H GLU 121 H GLU 121 14.691 -15.711 -17.517 929 HA GLU 121 HA GLU 121 16.317 -17.174 -15.642 930 HB2 GLU 121 1HB GLU 121 18.454 -16.519 -16.708 931 HB3 GLU 121 2HB GLU 121 17.539 -17.660 -17.682 932 HG2 GLU 121 1HG GLU 121 16.727 -15.753 -19.048 933 HG3 GLU 121 2HG GLU 121 17.793 -14.696 -18.125 934 H GLU 122 H GLU 122 17.108 -15.836 -14.064 935 HA GLU 122 HA GLU 122 16.050 -13.142 -14.147 936 HB2 GLU 122 1HB GLU 122 16.838 -13.033 -11.757 937 HB3 GLU 122 2HB GLU 122 15.621 -14.245 -12.104 938 HG2 GLU 122 1HG GLU 122 18.556 -14.883 -11.946 939 HG3 GLU 122 2HG GLU 122 17.482 -14.928 -10.550 940 H LEU 123 H LEU 123 17.390 -12.243 -15.727 941 HA LEU 123 HA LEU 123 19.828 -11.162 -14.563 942 HB2 LEU 123 1HB LEU 123 20.570 -13.092 -15.895 943 HB3 LEU 123 2HB LEU 123 19.773 -12.419 -17.306 944 HG LEU 123 HG LEU 123 21.292 -10.480 -17.233 945 HD11 LEU 123 1HD1 LEU 123 23.251 -10.523 -15.776 946 HD12 LEU 123 2HD1 LEU 123 22.633 -11.972 -14.984 947 HD13 LEU 123 3HD1 LEU 123 21.756 -10.448 -14.845 948 HD21 LEU 123 3HD2 LEU 123 23.286 -11.635 -17.992 949 HD22 LEU 123 1HD2 LEU 123 21.838 -12.435 -18.601 950 HD23 LEU 123 2HD2 LEU 123 22.724 -13.131 -17.244 951 H GLU 124 H GLU 124 19.160 -9.149 -14.450 952 HA GLU 124 HA GLU 124 19.166 -7.493 -16.727 953 HB2 GLU 124 1HB GLU 124 16.819 -8.395 -16.940 954 HB3 GLU 124 2HB GLU 124 16.464 -7.695 -15.367 955 HG2 GLU 124 1HG GLU 124 17.185 -5.473 -16.356 956 HG3 GLU 124 2HG GLU 124 17.126 -6.273 -17.924 957 H HIS 125 H HIS 125 17.987 -7.941 -13.455 958 HA HIS 125 HA HIS 125 18.668 -5.275 -12.623 959 HB2 HIS 125 1HB HIS 125 16.792 -6.380 -11.549 960 HB3 HIS 125 2HB HIS 125 17.811 -7.740 -11.093 961 HD1 HIS 125 HD1 HIS 125 18.347 -7.690 -8.695 962 HD2 HIS 125 HD2 HIS 125 18.045 -3.860 -10.285 963 HE1 HIS 125 HE1 HIS 125 18.754 -6.120 -6.772 964 HE2 HIS 125 HE2 HIS 125 18.314 -3.827 -7.721 965 H HIS 126 H HIS 126 20.693 -4.686 -12.271 966 HA HIS 126 HA HIS 126 22.784 -6.596 -11.771 967 HB2 HIS 126 1HB HIS 126 23.082 -4.426 -13.036 968 HB3 HIS 126 2HB HIS 126 22.904 -3.580 -11.503 969 HD1 HIS 126 HD1 HIS 126 25.325 -5.485 -13.557 970 HD2 HIS 126 HD2 HIS 126 25.095 -3.929 -9.706 971 HE1 HIS 126 HE1 HIS 126 27.663 -5.575 -12.647 972 HE2 HIS 126 HE2 HIS 126 27.525 -4.519 -10.366 973 H HIS 127 H HIS 127 23.623 -7.196 -9.825 974 HA HIS 127 HA HIS 127 22.042 -6.484 -7.515 975 HB2 HIS 127 1HB HIS 127 23.321 -8.180 -6.308 976 HB3 HIS 127 2HB HIS 127 22.698 -8.820 -7.819 977 HD1 HIS 127 HD1 HIS 127 24.336 -10.293 -8.944 978 HD2 HIS 127 HD2 HIS 127 26.222 -7.292 -6.758 979 HE1 HIS 127 HE1 HIS 127 26.804 -10.703 -9.209 980 HE2 HIS 127 HE2 HIS 127 27.930 -8.913 -7.834 981 H HIS 128 H HIS 128 22.786 -5.551 -5.597 982 HA HIS 128 HA HIS 128 24.957 -3.657 -5.946 983 HB2 HIS 128 1HB HIS 128 23.012 -4.142 -3.683 984 HB3 HIS 128 2HB HIS 128 24.297 -2.940 -3.606 985 HD1 HIS 128 HD1 HIS 128 24.131 -0.991 -5.475 986 HD2 HIS 128 HD2 HIS 128 20.717 -3.295 -4.894 987 HE1 HIS 128 HE1 HIS 128 22.241 0.335 -6.468 988 HE2 HIS 128 HE2 HIS 128 20.201 -1.119 -6.206 989 H HIS 129 H HIS 129 26.392 -3.401 -3.863 990 HA HIS 129 HA HIS 129 27.594 -6.055 -3.470 991 HB2 HIS 129 1HB HIS 129 28.948 -4.204 -4.554 992 HB3 HIS 129 2HB HIS 129 28.912 -3.376 -3.000 993 HD1 HIS 129 HD1 HIS 129 31.169 -5.213 -4.854 994 HD2 HIS 129 HD2 HIS 129 29.861 -5.547 -0.921 995 HE1 HIS 129 HE1 HIS 129 32.940 -6.541 -3.659 996 HE2 HIS 129 HE2 HIS 129 32.056 -6.856 -1.316 997 H HIS 130 H HIS 130 26.783 -6.910 -1.660 998 HA HIS 130 HA HIS 130 26.913 -5.275 0.790 999 HB2 HIS 130 1HB HIS 130 24.670 -6.191 0.352 1000 HB3 HIS 130 2HB HIS 130 25.338 -7.816 0.276 1001 HD1 HIS 130 HD1 HIS 130 24.080 -5.276 2.634 1002 HD2 HIS 130 HD2 HIS 130 26.257 -8.818 2.818 1003 HE1 HIS 130 HE1 HIS 130 24.067 -5.961 5.052 1004 HE2 HIS 130 HE2 HIS 130 25.587 -7.972 5.166 Start of MODEL 4 1 H1 MET 1 1H MET 1 -1.138 -38.931 -2.183 2 H2 MET 1 2H MET 1 -1.886 -40.372 -2.676 3 H3 MET 1 3H MET 1 -2.021 -39.851 -1.068 4 HA MET 1 HA MET 1 -3.154 -38.499 -3.444 5 HB2 MET 1 1HB MET 1 -4.522 -39.849 -1.103 6 HB3 MET 1 2HB MET 1 -5.321 -39.067 -2.459 7 HG2 MET 1 1HG MET 1 -3.623 -41.550 -2.575 8 HG3 MET 1 2HG MET 1 -5.379 -41.473 -2.691 9 HE1 MET 1 3HE MET 1 -5.313 -42.911 -4.892 10 HE2 MET 1 1HE MET 1 -3.554 -42.999 -4.813 11 HE3 MET 1 2HE MET 1 -4.346 -42.506 -6.311 12 H ASN 2 H ASN 2 -4.631 -36.694 -2.772 13 HA ASN 2 HA ASN 2 -3.609 -35.399 -0.329 14 HB2 ASN 2 1HB ASN 2 -2.620 -34.409 -2.398 15 HB3 ASN 2 2HB ASN 2 -4.241 -33.962 -2.912 16 HD21 ASN 2 2HD2 ASN 2 -1.737 -33.413 -0.542 17 HD22 ASN 2 1HD2 ASN 2 -2.313 -31.868 -0.014 18 H ASP 3 H ASP 3 -5.319 -35.914 0.891 19 HA ASP 3 HA ASP 3 -7.893 -34.679 0.153 20 HB2 ASP 3 1HB ASP 3 -8.213 -37.040 -0.004 21 HB3 ASP 3 2HB ASP 3 -7.341 -37.327 1.497 22 H ASP 4 H ASP 4 -5.470 -35.308 2.540 23 HA ASP 4 HA ASP 4 -6.990 -34.104 4.695 24 HB2 ASP 4 1HB ASP 4 -4.111 -35.045 4.617 25 HB3 ASP 4 2HB ASP 4 -5.001 -34.571 6.061 26 H VAL 5 H VAL 5 -6.924 -32.016 5.230 27 HA VAL 5 HA VAL 5 -5.184 -30.275 3.694 28 HB VAL 5 HB VAL 5 -7.481 -29.581 3.821 29 HG11 VAL 5 1HG1 VAL 5 -8.550 -28.927 5.931 30 HG12 VAL 5 2HG1 VAL 5 -7.152 -29.536 6.817 31 HG13 VAL 5 3HG1 VAL 5 -8.159 -30.645 5.888 32 HG21 VAL 5 3HG2 VAL 5 -5.728 -27.796 5.502 33 HG22 VAL 5 1HG2 VAL 5 -7.224 -27.305 4.705 34 HG23 VAL 5 2HG2 VAL 5 -5.836 -27.807 3.740 35 H ASP 6 H ASP 6 -3.209 -30.000 4.396 36 HA ASP 6 HA ASP 6 -2.673 -29.851 7.281 37 HB2 ASP 6 1HB ASP 6 -1.293 -31.412 6.009 38 HB3 ASP 6 2HB ASP 6 -0.801 -30.122 4.919 39 H ILE 7 H ILE 7 -2.965 -27.945 4.488 40 HA ILE 7 HA ILE 7 -1.132 -25.905 4.837 41 HB ILE 7 HB ILE 7 -3.933 -25.665 3.723 42 HG12 ILE 7 1HG1 ILE 7 -1.308 -26.255 2.332 43 HG13 ILE 7 2HG1 ILE 7 -2.575 -27.434 2.650 44 HG21 ILE 7 1HG2 ILE 7 -1.499 -23.925 3.318 45 HG22 ILE 7 2HG2 ILE 7 -2.956 -23.489 4.210 46 HG23 ILE 7 3HG2 ILE 7 -3.035 -23.753 2.467 47 HD11 ILE 7 3HD1 ILE 7 -2.602 -26.654 0.343 48 HD12 ILE 7 1HD1 ILE 7 -2.854 -25.000 0.904 49 HD13 ILE 7 2HD1 ILE 7 -4.088 -26.226 1.193 50 H GLN 8 H GLN 8 -0.846 -24.467 6.372 51 HA GLN 8 HA GLN 8 -2.864 -23.986 8.378 52 HB2 GLN 8 1HB GLN 8 -0.478 -24.122 8.983 53 HB3 GLN 8 2HB GLN 8 -0.148 -22.709 7.991 54 HG2 GLN 8 1HG GLN 8 -1.623 -21.376 9.443 55 HG3 GLN 8 2HG GLN 8 -1.876 -22.798 10.454 56 HE21 GLN 8 2HE2 GLN 8 0.890 -23.697 10.159 57 HE22 GLN 8 1HE2 GLN 8 1.845 -22.645 11.140 58 H GLN 9 H GLN 9 -4.540 -22.792 7.742 59 HA GLN 9 HA GLN 9 -4.033 -20.376 6.144 60 HB2 GLN 9 1HB GLN 9 -6.460 -20.462 5.602 61 HB3 GLN 9 2HB GLN 9 -5.580 -21.885 5.060 62 HG2 GLN 9 1HG GLN 9 -6.470 -23.213 6.811 63 HG3 GLN 9 2HG GLN 9 -7.111 -21.799 7.645 64 HE21 GLN 9 2HE2 GLN 9 -7.524 -23.960 4.933 65 HE22 GLN 9 1HE2 GLN 9 -9.159 -23.505 4.578 66 H SER 10 H SER 10 -4.337 -21.237 9.241 67 HA SER 10 HA SER 10 -6.249 -19.358 10.204 68 HB2 SER 10 1HB SER 10 -5.704 -21.344 11.511 69 HB3 SER 10 2HB SER 10 -4.023 -20.831 11.641 70 HG SER 10 HG SER 10 -4.544 -19.531 13.211 71 H TYR 11 H TYR 11 -5.822 -17.309 9.522 72 HA TYR 11 HA TYR 11 -3.442 -16.066 10.707 73 HB2 TYR 11 1HB TYR 11 -4.588 -15.528 7.961 74 HB3 TYR 11 2HB TYR 11 -3.409 -14.485 8.749 75 HD1 TYR 11 HD2 TYR 11 -1.181 -15.559 9.445 76 HD2 TYR 11 HD1 TYR 11 -3.875 -17.352 6.688 77 HE1 TYR 11 HE2 TYR 11 0.649 -16.958 8.585 78 HE2 TYR 11 HE1 TYR 11 -2.057 -18.759 5.819 79 HH TYR 11 HH TYR 11 0.911 -19.117 7.396 80 HA PRO 12 HA PRO 12 -6.825 -14.024 12.789 81 HB2 PRO 12 1HB PRO 12 -4.566 -12.538 13.988 82 HB3 PRO 12 2HB PRO 12 -5.864 -13.437 14.778 83 HG2 PRO 12 1HG PRO 12 -3.392 -14.419 14.695 84 HG3 PRO 12 2HG PRO 12 -4.800 -15.480 14.491 85 HD2 PRO 12 1HD PRO 12 -2.946 -14.374 12.417 86 HD3 PRO 12 2HD PRO 12 -3.638 -16.004 12.555 87 H PHE 13 H PHE 13 -4.142 -12.366 11.334 88 HA PHE 13 HA PHE 13 -5.944 -10.156 10.625 89 HB2 PHE 13 1HB PHE 13 -3.011 -9.999 11.353 90 HB3 PHE 13 2HB PHE 13 -3.902 -8.678 10.608 91 HD1 PHE 13 HD1 PHE 13 -3.435 -10.653 13.663 92 HD2 PHE 13 HD2 PHE 13 -5.476 -7.373 11.868 93 HE1 PHE 13 HE1 PHE 13 -4.123 -9.866 15.891 94 HE2 PHE 13 HE2 PHE 13 -6.169 -6.584 14.093 95 HZ PHE 13 HZ PHE 13 -5.491 -7.830 16.110 96 H SER 14 H SER 14 -5.978 -9.578 8.543 97 HA SER 14 HA SER 14 -3.873 -10.330 6.705 98 HB2 SER 14 1HB SER 14 -6.698 -11.378 6.339 99 HB3 SER 14 2HB SER 14 -5.384 -11.539 5.175 100 HG SER 14 HG SER 14 -4.655 -12.443 7.630 101 H ILE 15 H ILE 15 -4.145 -9.252 4.631 102 HA ILE 15 HA ILE 15 -5.941 -6.932 4.856 103 HB ILE 15 HB ILE 15 -3.336 -7.129 3.333 104 HG12 ILE 15 1HG1 ILE 15 -3.019 -7.052 5.773 105 HG13 ILE 15 2HG1 ILE 15 -2.465 -5.569 5.007 106 HG21 ILE 15 1HG2 ILE 15 -4.941 -5.649 2.238 107 HG22 ILE 15 2HG2 ILE 15 -3.612 -4.728 2.941 108 HG23 ILE 15 3HG2 ILE 15 -5.179 -4.776 3.751 109 HD11 ILE 15 3HD1 ILE 15 -4.523 -4.452 5.695 110 HD12 ILE 15 1HD1 ILE 15 -3.636 -5.104 7.073 111 HD13 ILE 15 2HD1 ILE 15 -5.067 -5.940 6.468 112 H GLU 16 H GLU 16 -7.642 -7.081 3.569 113 HA GLU 16 HA GLU 16 -7.413 -8.622 1.099 114 HB2 GLU 16 1HB GLU 16 -9.752 -7.696 2.730 115 HB3 GLU 16 2HB GLU 16 -9.961 -8.194 1.053 116 HG2 GLU 16 1HG GLU 16 -8.972 -10.351 1.560 117 HG3 GLU 16 2HG GLU 16 -8.756 -9.862 3.241 118 H THR 17 H THR 17 -7.010 -7.660 -0.676 119 HA THR 17 HA THR 17 -7.353 -4.750 -0.833 120 HB THR 17 HB THR 17 -5.761 -4.951 -2.788 121 HG1 THR 17 HG1 THR 17 -6.183 -7.288 -3.021 122 HG21 THR 17 3HG2 THR 17 -3.767 -5.281 -1.362 123 HG22 THR 17 1HG2 THR 17 -4.807 -5.909 -0.082 124 HG23 THR 17 2HG2 THR 17 -4.966 -4.233 -0.605 125 H MET 18 H MET 18 -8.597 -3.797 -2.358 126 HA MET 18 HA MET 18 -10.331 -5.468 -3.958 127 HB2 MET 18 1HB MET 18 -10.076 -2.458 -3.759 128 HB3 MET 18 2HB MET 18 -11.297 -3.293 -4.709 129 HG2 MET 18 1HG MET 18 -12.159 -4.327 -2.654 130 HG3 MET 18 2HG MET 18 -10.962 -3.429 -1.723 131 HE1 MET 18 3HE MET 18 -12.983 -2.193 -4.868 132 HE2 MET 18 1HE MET 18 -14.383 -1.439 -4.106 133 HE3 MET 18 2HE MET 18 -14.155 -3.184 -4.001 134 HA PRO 19 HA PRO 19 -7.968 -5.815 -7.636 135 HB2 PRO 19 1HB PRO 19 -10.452 -4.898 -9.022 136 HB3 PRO 19 2HB PRO 19 -9.437 -6.308 -9.350 137 HG2 PRO 19 1HG PRO 19 -11.759 -6.594 -8.095 138 HG3 PRO 19 2HG PRO 19 -10.341 -7.533 -7.595 139 HD2 PRO 19 1HD PRO 19 -11.601 -5.166 -6.291 140 HD3 PRO 19 2HD PRO 19 -10.807 -6.572 -5.554 141 H VAL 20 H VAL 20 -6.484 -4.395 -8.212 142 HA VAL 20 HA VAL 20 -7.051 -1.564 -8.365 143 HB VAL 20 HB VAL 20 -4.646 -1.304 -8.813 144 HG11 VAL 20 1HG1 VAL 20 -5.220 -3.219 -6.555 145 HG12 VAL 20 2HG1 VAL 20 -5.362 -1.461 -6.493 146 HG13 VAL 20 3HG1 VAL 20 -3.778 -2.213 -6.705 147 HG21 VAL 20 3HG2 VAL 20 -3.159 -3.261 -8.831 148 HG22 VAL 20 1HG2 VAL 20 -4.290 -3.283 -10.186 149 HG23 VAL 20 2HG2 VAL 20 -4.569 -4.321 -8.788 150 HA PRO 21 HA PRO 21 -7.410 -1.073 -12.812 151 HB2 PRO 21 1HB PRO 21 -5.325 0.714 -13.296 152 HB3 PRO 21 2HB PRO 21 -6.974 1.160 -12.852 153 HG2 PRO 21 1HG PRO 21 -4.539 0.943 -11.141 154 HG3 PRO 21 2HG PRO 21 -5.872 2.110 -11.059 155 HD2 PRO 21 1HD PRO 21 -5.678 0.076 -9.321 156 HD3 PRO 21 2HD PRO 21 -7.254 0.633 -9.920 157 H LYS 22 H LYS 22 -6.656 -2.276 -14.475 158 HA LYS 22 HA LYS 22 -4.291 -3.860 -13.928 159 HB2 LYS 22 1HB LYS 22 -6.442 -4.067 -16.032 160 HB3 LYS 22 2HB LYS 22 -5.060 -5.152 -15.952 161 HG2 LYS 22 1HG LYS 22 -5.741 -5.847 -13.707 162 HG3 LYS 22 2HG LYS 22 -7.136 -4.773 -13.805 163 HD2 LYS 22 1HD LYS 22 -6.721 -6.826 -15.933 164 HD3 LYS 22 2HD LYS 22 -7.356 -7.328 -14.368 165 HE2 LYS 22 1HE LYS 22 -9.186 -6.891 -15.865 166 HE3 LYS 22 2HE LYS 22 -9.162 -5.657 -14.608 167 HZ1 LYS 22 3HZ LYS 22 -8.316 -4.074 -16.105 168 HZ2 LYS 22 1HZ LYS 22 -9.562 -4.868 -16.935 169 HZ3 LYS 22 2HZ LYS 22 -7.944 -5.241 -17.277 170 H LYS 23 H LYS 23 -4.661 -0.962 -15.315 171 HA LYS 23 HA LYS 23 -2.196 -1.322 -16.796 172 HB2 LYS 23 1HB LYS 23 -3.004 -0.052 -18.749 173 HB3 LYS 23 2HB LYS 23 -3.834 -1.586 -18.551 174 HG2 LYS 23 1HG LYS 23 -5.771 -0.460 -17.641 175 HG3 LYS 23 2HG LYS 23 -4.933 1.094 -17.729 176 HD2 LYS 23 1HD LYS 23 -4.744 0.814 -20.173 177 HD3 LYS 23 2HD LYS 23 -5.649 -0.696 -20.049 178 HE2 LYS 23 1HE LYS 23 -7.578 0.498 -19.192 179 HE3 LYS 23 2HE LYS 23 -6.680 2.016 -19.218 180 HZ1 LYS 23 3HZ LYS 23 -7.408 0.359 -21.576 181 HZ2 LYS 23 1HZ LYS 23 -6.459 1.765 -21.636 182 HZ3 LYS 23 2HZ LYS 23 -8.083 1.860 -21.151 183 H LEU 24 H LEU 24 -0.815 0.209 -16.316 184 HA LEU 24 HA LEU 24 -1.846 2.815 -15.404 185 HB2 LEU 24 1HB LEU 24 0.449 1.224 -14.258 186 HB3 LEU 24 2HB LEU 24 0.130 2.902 -13.863 187 HG LEU 24 HG LEU 24 -1.723 0.586 -13.294 188 HD11 LEU 24 1HD1 LEU 24 -1.156 0.943 -10.969 189 HD12 LEU 24 2HD1 LEU 24 -0.071 2.261 -11.408 190 HD13 LEU 24 3HD1 LEU 24 0.306 0.610 -11.897 191 HD21 LEU 24 3HD2 LEU 24 -1.942 3.504 -12.551 192 HD22 LEU 24 1HD2 LEU 24 -3.041 2.219 -12.050 193 HD23 LEU 24 2HD2 LEU 24 -2.925 2.666 -13.751 194 H LYS 25 H LYS 25 -0.788 4.601 -16.115 195 HA LYS 25 HA LYS 25 1.464 4.162 -17.964 196 HB2 LYS 25 1HB LYS 25 -0.692 6.286 -18.156 197 HB3 LYS 25 2HB LYS 25 0.647 6.070 -19.276 198 HG2 LYS 25 1HG LYS 25 -1.529 4.044 -18.787 199 HG3 LYS 25 2HG LYS 25 -1.488 5.187 -20.129 200 HD2 LYS 25 1HD LYS 25 0.494 4.176 -21.015 201 HD3 LYS 25 2HD LYS 25 0.679 3.159 -19.586 202 HE2 LYS 25 1HE LYS 25 -1.400 1.997 -20.139 203 HE3 LYS 25 2HE LYS 25 -1.609 3.033 -21.550 204 HZ1 LYS 25 3HZ LYS 25 0.765 1.297 -21.169 205 HZ2 LYS 25 1HZ LYS 25 0.273 2.092 -22.586 206 HZ3 LYS 25 2HZ LYS 25 -0.625 0.782 -21.991 207 H VAL 26 H VAL 26 2.766 6.273 -18.237 208 HA VAL 26 HA VAL 26 3.786 6.983 -15.706 209 HB VAL 26 HB VAL 26 4.236 8.408 -18.337 210 HG11 VAL 26 1HG1 VAL 26 4.931 9.707 -16.376 211 HG12 VAL 26 2HG1 VAL 26 6.319 9.175 -17.326 212 HG13 VAL 26 3HG1 VAL 26 5.908 8.345 -15.823 213 HG21 VAL 26 3HG2 VAL 26 4.750 6.021 -18.491 214 HG22 VAL 26 1HG2 VAL 26 5.788 6.152 -17.071 215 HG23 VAL 26 2HG2 VAL 26 6.217 6.998 -18.558 216 H GLY 27 H GLY 27 2.993 8.360 -14.274 217 HA2 GLY 27 1HA GLY 27 2.404 10.571 -13.622 218 HA3 GLY 27 2HA GLY 27 1.755 10.846 -15.232 219 H GLU 28 H GLU 28 0.651 7.899 -14.528 220 HA GLU 28 HA GLU 28 -1.930 8.959 -13.705 221 HB2 GLU 28 1HB GLU 28 -1.091 6.201 -14.609 222 HB3 GLU 28 2HB GLU 28 -2.736 6.644 -14.174 223 HG2 GLU 28 1HG GLU 28 -1.116 7.781 -16.437 224 HG3 GLU 28 2HG GLU 28 -2.473 6.661 -16.570 225 H THR 29 H THR 29 -3.012 8.373 -11.851 226 HA THR 29 HA THR 29 -1.310 7.124 -9.799 227 HB THR 29 HB THR 29 -3.645 8.999 -9.374 228 HG1 THR 29 HG1 THR 29 -2.133 10.354 -10.089 229 HG21 THR 29 3HG2 THR 29 -2.777 9.156 -7.080 230 HG22 THR 29 1HG2 THR 29 -1.534 7.967 -7.470 231 HG23 THR 29 2HG2 THR 29 -3.237 7.500 -7.480 232 H ALA 30 H ALA 30 -1.882 5.220 -9.062 233 HA ALA 30 HA ALA 30 -4.518 4.147 -9.735 234 HB1 ALA 30 3HB ALA 30 -3.571 1.975 -9.167 235 HB2 ALA 30 1HB ALA 30 -2.080 2.752 -8.632 236 HB3 ALA 30 2HB ALA 30 -2.549 2.817 -10.331 237 H GLU 31 H GLU 31 -6.073 3.938 -8.275 238 HA GLU 31 HA GLU 31 -5.490 4.492 -5.483 239 HB2 GLU 31 1HB GLU 31 -7.438 5.564 -6.551 240 HB3 GLU 31 2HB GLU 31 -8.133 3.982 -6.863 241 HG2 GLU 31 1HG GLU 31 -8.353 3.565 -4.500 242 HG3 GLU 31 2HG GLU 31 -7.546 5.087 -4.128 243 H ILE 32 H ILE 32 -4.627 2.801 -4.467 244 HA ILE 32 HA ILE 32 -5.655 0.114 -4.924 245 HB ILE 32 HB ILE 32 -3.491 1.012 -3.006 246 HG12 ILE 32 1HG1 ILE 32 -3.233 -0.150 -5.791 247 HG13 ILE 32 2HG1 ILE 32 -2.930 1.529 -5.358 248 HG21 ILE 32 1HG2 ILE 32 -2.836 -1.347 -2.997 249 HG22 ILE 32 2HG2 ILE 32 -4.187 -1.729 -4.066 250 HG23 ILE 32 3HG2 ILE 32 -4.495 -1.141 -2.431 251 HD11 ILE 32 3HD1 ILE 32 -0.870 0.237 -5.606 252 HD12 ILE 32 1HD1 ILE 32 -1.393 -0.834 -4.307 253 HD13 ILE 32 2HD1 ILE 32 -1.066 0.865 -3.970 254 H ARG 33 H ARG 33 -7.562 -0.208 -3.985 255 HA ARG 33 HA ARG 33 -8.213 1.020 -1.440 256 HB2 ARG 33 1HB ARG 33 -9.831 -0.845 -3.185 257 HB3 ARG 33 2HB ARG 33 -10.436 0.093 -1.822 258 HG2 ARG 33 1HG ARG 33 -10.112 2.136 -2.965 259 HG3 ARG 33 2HG ARG 33 -9.172 1.350 -4.234 260 HD2 ARG 33 1HD ARG 33 -11.176 0.107 -4.920 261 HD3 ARG 33 2HD ARG 33 -12.106 0.946 -3.678 262 HE ARG 33 HE ARG 33 -11.395 3.049 -4.916 263 HH11 ARG 33 1HH1 ARG 33 -11.820 -0.036 -6.564 264 HH12 ARG 33 2HH1 ARG 33 -12.205 0.711 -8.090 265 HH21 ARG 33 1HH2 ARG 33 -11.888 3.990 -6.902 266 HH22 ARG 33 2HH2 ARG 33 -12.228 2.995 -8.285 267 H CYS 34 H CYS 34 -7.873 0.088 0.443 268 HA CYS 34 HA CYS 34 -7.369 -2.814 0.482 269 HB2 CYS 34 1HB CYS 34 -5.980 -0.714 2.158 270 HB3 CYS 34 2HB CYS 34 -5.633 -2.439 2.141 271 HG CYS 34 HG CYS 34 -5.189 -0.386 -0.564 272 H GLN 35 H GLN 35 -8.394 -3.982 1.967 273 HA GLN 35 HA GLN 35 -9.797 -2.574 4.139 274 HB2 GLN 35 1HB GLN 35 -11.369 -3.372 2.414 275 HB3 GLN 35 2HB GLN 35 -10.733 -5.002 2.599 276 HG2 GLN 35 1HG GLN 35 -12.805 -4.827 3.781 277 HG3 GLN 35 2HG GLN 35 -11.491 -4.997 4.941 278 HE21 GLN 35 2HE2 GLN 35 -12.150 -2.022 3.266 279 HE22 GLN 35 1HE2 GLN 35 -12.711 -1.146 4.650 280 H LEU 36 H LEU 36 -8.898 -3.079 6.009 281 HA LEU 36 HA LEU 36 -7.211 -5.374 6.309 282 HB2 LEU 36 1HB LEU 36 -6.839 -3.144 7.390 283 HB3 LEU 36 2HB LEU 36 -8.210 -3.470 8.428 284 HG LEU 36 HG LEU 36 -5.954 -5.430 8.404 285 HD11 LEU 36 1HD1 LEU 36 -5.932 -2.797 9.875 286 HD12 LEU 36 2HD1 LEU 36 -4.840 -3.269 8.572 287 HD13 LEU 36 3HD1 LEU 36 -4.793 -4.123 10.117 288 HD21 LEU 36 3HD2 LEU 36 -6.589 -5.668 10.748 289 HD22 LEU 36 1HD2 LEU 36 -7.984 -5.898 9.695 290 HD23 LEU 36 2HD2 LEU 36 -7.778 -4.379 10.568 291 H HIS 37 H HIS 37 -7.773 -7.332 6.903 292 HA HIS 37 HA HIS 37 -10.444 -7.792 8.049 293 HB2 HIS 37 1HB HIS 37 -9.749 -8.971 5.913 294 HB3 HIS 37 2HB HIS 37 -8.536 -9.821 6.857 295 HD1 HIS 37 HD1 HIS 37 -11.488 -10.614 5.364 296 HD2 HIS 37 HD2 HIS 37 -10.253 -10.953 9.326 297 HE1 HIS 37 HE1 HIS 37 -12.963 -12.374 6.392 298 HE2 HIS 37 HE2 HIS 37 -12.344 -12.404 8.834 299 H ARG 38 H ARG 38 -10.414 -7.903 10.213 300 HA ARG 38 HA ARG 38 -8.118 -9.250 11.488 301 HB2 ARG 38 1HB ARG 38 -8.163 -7.710 13.289 302 HB3 ARG 38 2HB ARG 38 -8.253 -6.732 11.833 303 HG2 ARG 38 1HG ARG 38 -10.656 -6.480 12.132 304 HG3 ARG 38 2HG ARG 38 -10.589 -7.490 13.577 305 HD2 ARG 38 1HD ARG 38 -8.842 -5.752 14.394 306 HD3 ARG 38 2HD ARG 38 -9.545 -4.714 13.153 307 HE ARG 38 HE ARG 38 -11.380 -5.961 15.054 308 HH11 ARG 38 1HH1 ARG 38 -9.706 -3.072 13.981 309 HH12 ARG 38 2HH1 ARG 38 -10.636 -2.019 15.003 310 HH21 ARG 38 1HH2 ARG 38 -12.591 -4.582 16.385 311 HH22 ARG 38 2HH2 ARG 38 -12.255 -2.876 16.403 312 H ASP 39 H ASP 39 -8.580 -10.848 12.918 313 HA ASP 39 HA ASP 39 -11.370 -11.136 13.812 314 HB2 ASP 39 1HB ASP 39 -11.035 -13.367 13.885 315 HB3 ASP 39 2HB ASP 39 -9.578 -13.056 12.948 316 H GLY 40 H GLY 40 -8.217 -10.237 14.755 317 HA2 GLY 40 1HA GLY 40 -8.225 -10.734 17.497 318 HA3 GLY 40 2HA GLY 40 -7.302 -9.469 16.701 319 H ARG 41 H ARG 41 -9.838 -10.176 18.782 320 HA ARG 41 HA ARG 41 -11.309 -7.735 18.409 321 HB2 ARG 41 1HB ARG 41 -12.159 -10.009 19.295 322 HB3 ARG 41 2HB ARG 41 -11.472 -9.505 20.832 323 HG2 ARG 41 1HG ARG 41 -12.928 -7.616 20.942 324 HG3 ARG 41 2HG ARG 41 -13.515 -7.914 19.303 325 HD2 ARG 41 1HD ARG 41 -13.914 -9.671 21.719 326 HD3 ARG 41 2HD ARG 41 -15.142 -8.708 20.901 327 HE ARG 41 HE ARG 41 -13.827 -11.106 19.770 328 HH11 ARG 41 1HH1 ARG 41 -16.451 -8.799 19.815 329 HH12 ARG 41 2HH1 ARG 41 -17.497 -9.754 18.807 330 HH21 ARG 41 1HH2 ARG 41 -15.195 -12.388 18.431 331 HH22 ARG 41 2HH2 ARG 41 -16.781 -11.802 18.031 332 H PHE 42 H PHE 42 -9.508 -6.284 18.586 333 HA PHE 42 HA PHE 42 -8.786 -5.705 21.383 334 HB2 PHE 42 1HB PHE 42 -7.229 -5.071 18.860 335 HB3 PHE 42 2HB PHE 42 -6.779 -4.546 20.479 336 HD1 PHE 42 HD2 PHE 42 -6.015 -6.188 22.142 337 HD2 PHE 42 HD1 PHE 42 -6.806 -7.288 18.110 338 HE1 PHE 42 HE2 PHE 42 -4.744 -8.270 22.465 339 HE2 PHE 42 HE1 PHE 42 -5.536 -9.371 18.424 340 HZ PHE 42 HZ PHE 42 -4.503 -9.863 20.604 341 H GLU 43 H GLU 43 -8.646 -3.430 21.932 342 HA GLU 43 HA GLU 43 -10.781 -1.943 20.692 343 HB2 GLU 43 1HB GLU 43 -8.969 -1.281 23.019 344 HB3 GLU 43 2HB GLU 43 -10.279 -0.246 22.465 345 HG2 GLU 43 1HG GLU 43 -10.555 -3.051 23.520 346 HG3 GLU 43 2HG GLU 43 -10.977 -1.562 24.369 347 H GLU 44 H GLU 44 -9.639 -1.856 18.620 348 HA GLU 44 HA GLU 44 -8.538 -0.763 16.972 349 HB2 GLU 44 1HB GLU 44 -9.151 1.502 18.850 350 HB3 GLU 44 2HB GLU 44 -8.423 1.759 17.270 351 HG2 GLU 44 1HG GLU 44 -10.345 0.769 16.190 352 HG3 GLU 44 2HG GLU 44 -11.061 0.403 17.760 353 H THR 45 H THR 45 -6.564 -1.967 17.507 354 HA THR 45 HA THR 45 -4.462 -0.340 18.668 355 HB THR 45 HB THR 45 -4.489 -2.833 18.995 356 HG1 THR 45 HG1 THR 45 -2.445 -2.456 19.322 357 HG21 THR 45 3HG2 THR 45 -3.674 -4.261 17.169 358 HG22 THR 45 1HG2 THR 45 -3.738 -2.882 16.070 359 HG23 THR 45 2HG2 THR 45 -5.225 -3.519 16.773 360 H LYS 46 H LYS 46 -2.750 0.556 17.450 361 HA LYS 46 HA LYS 46 -3.610 1.214 14.747 362 HB2 LYS 46 1HB LYS 46 -1.276 2.375 16.275 363 HB3 LYS 46 2HB LYS 46 -2.034 3.031 14.830 364 HG2 LYS 46 1HG LYS 46 -3.139 2.926 17.622 365 HG3 LYS 46 2HG LYS 46 -2.795 4.343 16.633 366 HD2 LYS 46 1HD LYS 46 -4.902 2.279 16.005 367 HD3 LYS 46 2HD LYS 46 -5.214 3.813 16.816 368 HE2 LYS 46 1HE LYS 46 -4.413 5.022 14.847 369 HE3 LYS 46 2HE LYS 46 -4.073 3.489 14.041 370 HZ1 LYS 46 3HZ LYS 46 -6.221 4.535 13.408 371 HZ2 LYS 46 1HZ LYS 46 -6.770 4.289 14.988 372 HZ3 LYS 46 2HZ LYS 46 -6.381 2.961 14.008 373 H TYR 47 H TYR 47 -2.651 0.537 12.962 374 HA TYR 47 HA TYR 47 -0.532 -1.457 13.274 375 HB2 TYR 47 1HB TYR 47 -2.126 -0.896 10.772 376 HB3 TYR 47 2HB TYR 47 -1.260 -2.368 11.200 377 HD1 TYR 47 HD1 TYR 47 -4.316 -0.417 11.704 378 HD2 TYR 47 HD2 TYR 47 -2.256 -3.999 12.721 379 HE1 TYR 47 HE1 TYR 47 -6.400 -1.347 12.609 380 HE2 TYR 47 HE2 TYR 47 -4.341 -4.941 13.630 381 HH TYR 47 HH TYR 47 -7.412 -3.442 13.120 382 H PHE 48 H PHE 48 1.174 -1.505 11.600 383 HA PHE 48 HA PHE 48 1.852 1.217 10.698 384 HB2 PHE 48 1HB PHE 48 3.701 -0.939 11.741 385 HB3 PHE 48 2HB PHE 48 4.244 0.572 11.016 386 HD1 PHE 48 HD2 PHE 48 3.867 2.703 12.162 387 HD2 PHE 48 HD1 PHE 48 2.847 -1.012 13.972 388 HE1 PHE 48 HE2 PHE 48 3.720 3.814 14.352 389 HE2 PHE 48 HE1 PHE 48 2.694 0.093 16.167 390 HZ PHE 48 HZ PHE 48 3.132 2.510 16.358 391 H ILE 49 H ILE 49 2.488 1.465 8.626 392 HA ILE 49 HA ILE 49 2.388 -0.956 6.967 393 HB ILE 49 HB ILE 49 0.709 0.824 6.515 394 HG12 ILE 49 1HG1 ILE 49 2.636 0.460 4.221 395 HG13 ILE 49 2HG1 ILE 49 1.538 -0.797 4.783 396 HG21 ILE 49 1HG2 ILE 49 3.094 2.444 5.635 397 HG22 ILE 49 2HG2 ILE 49 2.063 2.776 7.030 398 HG23 ILE 49 3HG2 ILE 49 1.402 2.881 5.397 399 HD11 ILE 49 3HD1 ILE 49 0.628 0.333 2.854 400 HD12 ILE 49 1HD1 ILE 49 0.754 1.887 3.679 401 HD13 ILE 49 2HD1 ILE 49 -0.366 0.660 4.275 402 H ARG 50 H ARG 50 3.995 -1.481 5.599 403 HA ARG 50 HA ARG 50 6.472 0.115 5.737 404 HB2 ARG 50 1HB ARG 50 6.490 -1.815 7.312 405 HB3 ARG 50 2HB ARG 50 6.223 -2.895 5.955 406 HG2 ARG 50 1HG ARG 50 8.527 -2.959 6.548 407 HG3 ARG 50 2HG ARG 50 8.374 -2.136 4.996 408 HD2 ARG 50 1HD ARG 50 8.628 0.007 6.053 409 HD3 ARG 50 2HD ARG 50 8.616 -0.738 7.652 410 HE ARG 50 HE ARG 50 10.689 -1.972 6.506 411 HH11 ARG 50 1HH1 ARG 50 9.811 1.410 6.707 412 HH12 ARG 50 2HH1 ARG 50 11.447 1.966 6.599 413 HH21 ARG 50 1HH2 ARG 50 12.844 -1.239 6.348 414 HH22 ARG 50 2HH2 ARG 50 13.179 0.462 6.419 415 H TYR 51 H TYR 51 7.853 -0.086 3.881 416 HA TYR 51 HA TYR 51 6.713 -1.514 1.595 417 HB2 TYR 51 1HB TYR 51 7.420 1.407 1.701 418 HB3 TYR 51 2HB TYR 51 7.378 0.519 0.182 419 HD1 TYR 51 HD1 TYR 51 5.216 -0.600 -0.489 420 HD2 TYR 51 HD2 TYR 51 5.448 2.242 2.667 421 HE1 TYR 51 HE1 TYR 51 2.795 -0.222 -0.661 422 HE2 TYR 51 HE2 TYR 51 3.023 2.624 2.503 423 HH TYR 51 HH TYR 51 1.242 2.387 0.808 424 H PHE 52 H PHE 52 8.169 -1.909 -0.120 425 HA PHE 52 HA PHE 52 10.980 -1.279 0.225 426 HB2 PHE 52 1HB PHE 52 10.731 -3.378 1.471 427 HB3 PHE 52 2HB PHE 52 9.951 -4.126 0.082 428 HD1 PHE 52 HD1 PHE 52 13.140 -2.620 1.226 429 HD2 PHE 52 HD2 PHE 52 11.209 -5.202 -1.554 430 HE1 PHE 52 HE1 PHE 52 15.331 -3.373 0.401 431 HE2 PHE 52 HE2 PHE 52 13.400 -5.954 -2.378 432 HZ PHE 52 HZ PHE 52 15.462 -5.039 -1.402 433 H GLN 53 H GLN 53 11.866 -0.860 -1.744 434 HA GLN 53 HA GLN 53 10.539 -2.009 -4.088 435 HB2 GLN 53 1HB GLN 53 11.086 0.342 -5.178 436 HB3 GLN 53 2HB GLN 53 9.571 0.020 -4.358 437 HG2 GLN 53 1HG GLN 53 10.106 2.051 -3.481 438 HG3 GLN 53 2HG GLN 53 10.826 0.988 -2.279 439 HE21 GLN 53 2HE2 GLN 53 13.034 0.995 -2.002 440 HE22 GLN 53 1HE2 GLN 53 14.085 2.101 -2.823 441 HA PRO 54 HA PRO 54 14.874 -2.864 -4.810 442 HB2 PRO 54 1HB PRO 54 13.976 -4.853 -6.697 443 HB3 PRO 54 2HB PRO 54 14.724 -5.095 -5.119 444 HG2 PRO 54 1HG PRO 54 12.118 -5.729 -5.694 445 HG3 PRO 54 2HG PRO 54 12.717 -5.356 -4.070 446 HD2 PRO 54 1HD PRO 54 11.220 -3.613 -5.982 447 HD3 PRO 54 2HD PRO 54 11.077 -3.736 -4.214 448 H ASP 55 H ASP 55 12.349 -2.368 -7.201 449 HA ASP 55 HA ASP 55 14.162 -0.952 -8.949 450 HB2 ASP 55 1HB ASP 55 14.643 -3.120 -9.781 451 HB3 ASP 55 2HB ASP 55 12.961 -3.619 -9.685 452 H GLY 56 H GLY 56 13.068 0.754 -9.727 453 HA2 GLY 56 1HA GLY 56 11.026 0.974 -11.328 454 HA3 GLY 56 2HA GLY 56 10.140 0.566 -9.869 455 H ALA 57 H ALA 57 9.533 2.833 -11.136 456 HA ALA 57 HA ALA 57 10.501 4.911 -9.288 457 HB1 ALA 57 3HB ALA 57 11.584 5.237 -11.459 458 HB2 ALA 57 1HB ALA 57 10.440 6.535 -11.120 459 HB3 ALA 57 2HB ALA 57 10.003 5.248 -12.247 460 H GLY 58 H GLY 58 8.839 5.851 -8.230 461 HA2 GLY 58 1HA GLY 58 6.381 6.508 -9.515 462 HA3 GLY 58 2HA GLY 58 6.196 5.105 -8.473 463 H THR 59 H THR 59 4.802 7.447 -8.064 464 HA THR 59 HA THR 59 6.046 8.516 -5.616 465 HB THR 59 HB THR 59 3.849 9.762 -7.287 466 HG1 THR 59 HG1 THR 59 6.665 10.219 -7.160 467 HG21 THR 59 3HG2 THR 59 5.452 10.855 -4.968 468 HG22 THR 59 1HG2 THR 59 3.742 10.419 -4.936 469 HG23 THR 59 2HG2 THR 59 4.290 11.770 -5.933 470 H LEU 60 H LEU 60 5.249 7.624 -3.831 471 HA LEU 60 HA LEU 60 2.561 6.441 -3.947 472 HB2 LEU 60 1HB LEU 60 4.361 4.810 -3.761 473 HB3 LEU 60 2HB LEU 60 4.985 5.632 -2.345 474 HG LEU 60 HG LEU 60 2.919 5.048 -1.119 475 HD11 LEU 60 1HD1 LEU 60 1.401 3.379 -2.066 476 HD12 LEU 60 2HD1 LEU 60 2.264 3.465 -3.601 477 HD13 LEU 60 3HD1 LEU 60 1.387 4.873 -3.002 478 HD21 LEU 60 3HD2 LEU 60 4.415 2.755 -2.370 479 HD22 LEU 60 1HD2 LEU 60 3.431 2.656 -0.910 480 HD23 LEU 60 2HD2 LEU 60 4.886 3.656 -0.928 481 H LYS 61 H LYS 61 1.067 7.308 -2.690 482 HA LYS 61 HA LYS 61 1.871 8.482 -0.119 483 HB2 LYS 61 1HB LYS 61 -0.026 9.737 -2.110 484 HB3 LYS 61 2HB LYS 61 0.168 10.276 -0.450 485 HG2 LYS 61 1HG LYS 61 2.547 10.764 -0.933 486 HG3 LYS 61 2HG LYS 61 2.252 10.338 -2.619 487 HD2 LYS 61 1HD LYS 61 0.821 12.517 -1.101 488 HD3 LYS 61 2HD LYS 61 2.151 12.772 -2.230 489 HE2 LYS 61 1HE LYS 61 0.833 11.870 -4.042 490 HE3 LYS 61 2HE LYS 61 -0.476 11.479 -2.933 491 HZ1 LYS 61 3HZ LYS 61 -0.816 13.811 -2.510 492 HZ2 LYS 61 1HZ LYS 61 -0.879 13.533 -4.181 493 HZ3 LYS 61 2HZ LYS 61 0.505 14.227 -3.491 494 H MET 62 H MET 62 0.250 8.484 1.477 495 HA MET 62 HA MET 62 -1.760 6.412 1.221 496 HB2 MET 62 1HB MET 62 -0.390 6.863 3.317 497 HB3 MET 62 2HB MET 62 -1.325 8.337 3.519 498 HG2 MET 62 1HG MET 62 -3.381 6.937 3.599 499 HG3 MET 62 2HG MET 62 -2.348 5.509 3.585 500 HE1 MET 62 3HE MET 62 -0.346 6.006 6.951 501 HE2 MET 62 1HE MET 62 0.124 6.669 5.385 502 HE3 MET 62 2HE MET 62 -0.517 5.028 5.493 503 H SER 63 H SER 63 -4.077 6.912 1.771 504 HA SER 63 HA SER 63 -5.156 8.914 0.156 505 HB2 SER 63 1HB SER 63 -6.472 6.996 0.743 506 HB3 SER 63 2HB SER 63 -6.344 7.362 2.463 507 HG SER 63 HG SER 63 -7.865 8.820 2.292 508 H ASP 64 H ASP 64 -4.042 9.055 3.432 509 HA ASP 64 HA ASP 64 -5.382 11.509 4.075 510 HB2 ASP 64 1HB ASP 64 -3.192 9.956 5.455 511 HB3 ASP 64 2HB ASP 64 -3.833 11.472 6.079 512 H GLY 65 H GLY 65 -2.978 10.921 1.951 513 HA2 GLY 65 1HA GLY 65 -1.811 12.548 0.747 514 HA3 GLY 65 2HA GLY 65 -2.159 13.706 2.021 515 H THR 66 H THR 66 -0.944 10.803 3.218 516 HA THR 66 HA THR 66 1.576 12.073 3.888 517 HB THR 66 HB THR 66 0.486 9.361 4.677 518 HG1 THR 66 HG1 THR 66 0.097 11.957 5.657 519 HG21 THR 66 3HG2 THR 66 2.134 9.429 6.468 520 HG22 THR 66 1HG2 THR 66 2.719 10.994 5.892 521 HG23 THR 66 2HG2 THR 66 2.930 9.552 4.899 522 H VAL 67 H VAL 67 3.299 11.854 2.572 523 HA VAL 67 HA VAL 67 3.449 9.899 0.513 524 HB VAL 67 HB VAL 67 5.640 11.632 1.681 525 HG11 VAL 67 1HG1 VAL 67 6.875 11.169 -0.372 526 HG12 VAL 67 2HG1 VAL 67 5.593 10.088 -0.915 527 HG13 VAL 67 3HG1 VAL 67 6.548 9.678 0.508 528 HG21 VAL 67 3HG2 VAL 67 3.880 12.984 0.740 529 HG22 VAL 67 1HG2 VAL 67 3.863 12.007 -0.731 530 HG23 VAL 67 2HG2 VAL 67 5.264 13.007 -0.351 531 H LEU 68 H LEU 68 4.342 7.914 0.501 532 HA LEU 68 HA LEU 68 5.201 6.898 3.123 533 HB2 LEU 68 1HB LEU 68 4.020 5.393 0.789 534 HB3 LEU 68 2HB LEU 68 4.414 4.714 2.357 535 HG LEU 68 HG LEU 68 2.332 6.850 1.885 536 HD11 LEU 68 1HD1 LEU 68 1.652 4.745 0.883 537 HD12 LEU 68 2HD1 LEU 68 0.701 5.086 2.328 538 HD13 LEU 68 3HD1 LEU 68 2.002 3.898 2.389 539 HD21 LEU 68 3HD2 LEU 68 2.982 5.226 4.340 540 HD22 LEU 68 1HD2 LEU 68 1.666 6.389 4.181 541 HD23 LEU 68 2HD2 LEU 68 3.341 6.937 4.109 542 H LEU 69 H LEU 69 7.344 6.779 3.247 543 HA LEU 69 HA LEU 69 8.856 5.899 0.888 544 HB2 LEU 69 1HB LEU 69 9.811 7.253 3.412 545 HB3 LEU 69 2HB LEU 69 10.827 6.801 2.058 546 HG LEU 69 HG LEU 69 8.614 8.854 1.988 547 HD11 LEU 69 1HD1 LEU 69 10.552 9.606 3.250 548 HD12 LEU 69 2HD1 LEU 69 10.449 10.454 1.706 549 HD13 LEU 69 3HD1 LEU 69 11.614 9.145 1.917 550 HD21 LEU 69 3HD2 LEU 69 8.816 7.740 -0.156 551 HD22 LEU 69 1HD2 LEU 69 10.565 7.970 -0.137 552 HD23 LEU 69 2HD2 LEU 69 9.494 9.365 -0.261 553 HA PRO 70 HA PRO 70 9.680 2.014 2.851 554 HB2 PRO 70 1HB PRO 70 12.172 1.828 1.345 555 HB3 PRO 70 2HB PRO 70 10.684 0.903 1.148 556 HG2 PRO 70 1HG PRO 70 11.525 2.716 -0.673 557 HG3 PRO 70 2HG PRO 70 9.808 2.387 -0.374 558 HD2 PRO 70 1HD PRO 70 11.507 4.649 0.621 559 HD3 PRO 70 2HD PRO 70 9.843 4.681 -0.005 560 H ASN 71 H ASN 71 11.175 4.694 3.714 561 HA ASN 71 HA ASN 71 13.540 3.508 4.934 562 HB2 ASN 71 1HB ASN 71 13.772 5.697 3.833 563 HB3 ASN 71 2HB ASN 71 12.580 6.380 4.934 564 HD21 ASN 71 2HD2 ASN 71 13.154 6.851 7.035 565 HD22 ASN 71 1HD2 ASN 71 14.801 6.837 7.579 566 H ASP 72 H ASP 72 10.353 4.642 5.797 567 HA ASP 72 HA ASP 72 10.970 4.082 8.624 568 HB2 ASP 72 1HB ASP 72 9.356 6.390 7.523 569 HB3 ASP 72 2HB ASP 72 9.352 5.918 9.219 570 H LEU 73 H LEU 73 8.828 3.981 9.906 571 HA LEU 73 HA LEU 73 6.853 2.420 8.381 572 HB2 LEU 73 1HB LEU 73 7.763 2.338 11.233 573 HB3 LEU 73 2HB LEU 73 6.134 1.823 10.840 574 HG LEU 73 HG LEU 73 8.586 0.648 9.532 575 HD11 LEU 73 1HD1 LEU 73 7.000 -0.447 11.848 576 HD12 LEU 73 2HD1 LEU 73 8.625 0.230 11.954 577 HD13 LEU 73 3HD1 LEU 73 8.343 -1.241 11.020 578 HD21 LEU 73 3HD2 LEU 73 7.028 -1.146 8.948 579 HD22 LEU 73 1HD2 LEU 73 6.527 0.405 8.275 580 HD23 LEU 73 2HD2 LEU 73 5.714 -0.243 9.700 581 H TYR 74 H TYR 74 4.748 3.075 8.348 582 HA TYR 74 HA TYR 74 4.200 5.639 9.693 583 HB2 TYR 74 1HB TYR 74 3.069 4.659 7.062 584 HB3 TYR 74 2HB TYR 74 2.734 6.212 7.821 585 HD1 TYR 74 HD1 TYR 74 4.498 7.945 7.934 586 HD2 TYR 74 HD2 TYR 74 5.101 4.283 5.850 587 HE1 TYR 74 HE1 TYR 74 6.445 8.921 6.790 588 HE2 TYR 74 HE2 TYR 74 7.043 5.252 4.704 589 HH TYR 74 HH TYR 74 8.500 8.147 5.673 590 HA PRO 75 HA PRO 75 0.989 3.352 11.763 591 HB2 PRO 75 1HB PRO 75 -0.005 5.973 12.616 592 HB3 PRO 75 2HB PRO 75 0.650 4.657 13.591 593 HG2 PRO 75 1HG PRO 75 1.984 6.972 13.210 594 HG3 PRO 75 2HG PRO 75 2.814 5.416 13.404 595 HD2 PRO 75 1HD PRO 75 2.245 6.963 10.905 596 HD3 PRO 75 2HD PRO 75 3.709 6.071 11.373 597 H LEU 76 H LEU 76 -0.833 2.637 10.914 598 HA LEU 76 HA LEU 76 -2.188 4.098 8.838 599 HB2 LEU 76 1HB LEU 76 -2.780 1.444 10.150 600 HB3 LEU 76 2HB LEU 76 -3.687 2.097 8.800 601 HG LEU 76 HG LEU 76 -0.750 1.394 8.739 602 HD11 LEU 76 1HD1 LEU 76 -3.119 -0.022 7.526 603 HD12 LEU 76 2HD1 LEU 76 -2.206 -0.573 8.931 604 HD13 LEU 76 3HD1 LEU 76 -1.423 -0.483 7.351 605 HD21 LEU 76 3HD2 LEU 76 -0.936 1.760 6.337 606 HD22 LEU 76 1HD2 LEU 76 -1.349 3.228 7.224 607 HD23 LEU 76 2HD2 LEU 76 -2.625 2.228 6.527 608 HA PRO 77 HA PRO 77 -4.975 5.959 11.795 609 HB2 PRO 77 1HB PRO 77 -6.059 7.748 10.127 610 HB3 PRO 77 2HB PRO 77 -4.393 7.918 10.699 611 HG2 PRO 77 1HG PRO 77 -5.401 6.893 8.076 612 HG3 PRO 77 2HG PRO 77 -4.028 7.962 8.409 613 HD2 PRO 77 1HD PRO 77 -3.814 5.256 7.945 614 HD3 PRO 77 2HD PRO 77 -2.625 6.216 8.847 615 H GLY 78 H GLY 78 -5.614 3.741 9.498 616 HA2 GLY 78 1HA GLY 78 -8.326 3.407 10.341 617 HA3 GLY 78 2HA GLY 78 -8.217 3.969 8.679 618 H GLU 79 H GLU 79 -9.384 1.583 9.277 619 HA GLU 79 HA GLU 79 -7.416 -0.429 8.418 620 HB2 GLU 79 1HB GLU 79 -10.159 -0.772 9.656 621 HB3 GLU 79 2HB GLU 79 -9.097 -2.088 9.166 622 HG2 GLU 79 1HG GLU 79 -7.501 -1.544 10.821 623 HG3 GLU 79 2HG GLU 79 -8.286 -0.005 11.170 624 H THR 80 H THR 80 -10.310 1.281 7.619 625 HA THR 80 HA THR 80 -10.332 0.032 4.951 626 HB THR 80 HB THR 80 -12.276 2.015 6.182 627 HG1 THR 80 HG1 THR 80 -12.364 -0.126 7.096 628 HG21 THR 80 3HG2 THR 80 -13.693 1.529 4.250 629 HG22 THR 80 1HG2 THR 80 -12.450 0.465 3.596 630 HG23 THR 80 2HG2 THR 80 -12.145 2.197 3.735 631 H PHE 81 H PHE 81 -8.661 1.014 3.818 632 HA PHE 81 HA PHE 81 -8.684 3.937 3.709 633 HB2 PHE 81 1HB PHE 81 -6.230 4.043 4.026 634 HB3 PHE 81 2HB PHE 81 -7.082 3.475 5.454 635 HD1 PHE 81 HD2 PHE 81 -6.957 1.098 6.106 636 HD2 PHE 81 HD1 PHE 81 -4.659 2.672 2.885 637 HE1 PHE 81 HE2 PHE 81 -5.489 -0.873 6.197 638 HE2 PHE 81 HE1 PHE 81 -3.187 0.704 2.973 639 HZ PHE 81 HZ PHE 81 -3.599 -1.073 4.628 640 H ARG 82 H ARG 82 -6.902 4.681 2.106 641 HA ARG 82 HA ARG 82 -6.927 2.899 -0.223 642 HB2 ARG 82 1HB ARG 82 -7.792 5.786 -0.102 643 HB3 ARG 82 2HB ARG 82 -7.334 5.009 -1.613 644 HG2 ARG 82 1HG ARG 82 -9.100 3.322 -1.240 645 HG3 ARG 82 2HG ARG 82 -9.590 4.194 0.211 646 HD2 ARG 82 1HD ARG 82 -9.514 5.440 -2.529 647 HD3 ARG 82 2HD ARG 82 -10.943 4.658 -1.863 648 HE ARG 82 HE ARG 82 -10.137 6.541 0.007 649 HH11 ARG 82 1HH1 ARG 82 -11.088 6.615 -3.370 650 HH12 ARG 82 2HH1 ARG 82 -11.968 8.103 -3.212 651 HH21 ARG 82 1HH2 ARG 82 -11.272 8.507 0.204 652 HH22 ARG 82 2HH2 ARG 82 -12.090 9.177 -1.184 653 H LEU 83 H LEU 83 -5.064 2.784 -1.309 654 HA LEU 83 HA LEU 83 -2.881 4.574 -0.471 655 HB2 LEU 83 1HB LEU 83 -2.779 1.868 -1.816 656 HB3 LEU 83 2HB LEU 83 -1.383 2.817 -1.340 657 HG LEU 83 HG LEU 83 -3.436 1.687 0.567 658 HD11 LEU 83 1HD1 LEU 83 -0.647 0.760 -0.106 659 HD12 LEU 83 2HD1 LEU 83 -2.152 -0.089 -0.455 660 HD13 LEU 83 3HD1 LEU 83 -1.636 0.139 1.216 661 HD21 LEU 83 3HD2 LEU 83 -0.791 3.057 1.065 662 HD22 LEU 83 1HD2 LEU 83 -1.824 2.330 2.297 663 HD23 LEU 83 2HD2 LEU 83 -2.388 3.733 1.389 664 H TYR 84 H TYR 84 -2.094 6.009 -1.903 665 HA TYR 84 HA TYR 84 -3.066 5.792 -4.666 666 HB2 TYR 84 1HB TYR 84 -2.314 8.164 -2.976 667 HB3 TYR 84 2HB TYR 84 -2.444 8.280 -4.729 668 HD1 TYR 84 HD2 TYR 84 -4.646 7.714 -5.815 669 HD2 TYR 84 HD1 TYR 84 -4.247 8.232 -1.610 670 HE1 TYR 84 HE2 TYR 84 -7.073 8.044 -5.635 671 HE2 TYR 84 HE1 TYR 84 -6.679 8.560 -1.420 672 HH TYR 84 HH TYR 84 -8.839 7.774 -3.881 673 H TYR 85 H TYR 85 -1.652 4.957 -5.986 674 HA TYR 85 HA TYR 85 1.178 5.696 -5.658 675 HB2 TYR 85 1HB TYR 85 0.957 3.332 -5.335 676 HB3 TYR 85 2HB TYR 85 -0.062 3.172 -6.764 677 HD1 TYR 85 HD1 TYR 85 3.386 4.113 -5.709 678 HD2 TYR 85 HD2 TYR 85 0.887 2.655 -8.829 679 HE1 TYR 85 HE1 TYR 85 5.371 3.669 -7.090 680 HE2 TYR 85 HE2 TYR 85 2.865 2.204 -10.214 681 HH TYR 85 HH TYR 85 5.954 2.103 -9.023 682 H THR 86 H THR 86 1.676 7.252 -7.054 683 HA THR 86 HA THR 86 0.478 7.342 -9.696 684 HB THR 86 HB THR 86 2.691 9.063 -8.541 685 HG1 THR 86 HG1 THR 86 -0.132 9.549 -8.689 686 HG21 THR 86 3HG2 THR 86 2.033 10.650 -10.305 687 HG22 THR 86 1HG2 THR 86 0.876 9.471 -10.924 688 HG23 THR 86 2HG2 THR 86 2.605 9.125 -10.977 689 H SER 87 H SER 87 1.225 5.990 -11.204 690 HA SER 87 HA SER 87 3.780 4.726 -10.969 691 HB2 SER 87 1HB SER 87 3.091 3.818 -13.294 692 HB3 SER 87 2HB SER 87 2.124 3.351 -11.896 693 HG SER 87 HG SER 87 1.529 5.316 -13.859 694 H ALA 88 H ALA 88 5.623 5.641 -11.505 695 HA ALA 88 HA ALA 88 5.633 7.682 -13.627 696 HB1 ALA 88 3HB ALA 88 7.539 7.336 -11.314 697 HB2 ALA 88 1HB ALA 88 6.249 8.531 -11.415 698 HB3 ALA 88 2HB ALA 88 7.613 8.609 -12.530 699 H SER 89 H SER 89 5.905 4.686 -13.763 700 HA SER 89 HA SER 89 8.570 4.557 -14.997 701 HB2 SER 89 1HB SER 89 6.946 2.347 -13.724 702 HB3 SER 89 2HB SER 89 8.489 2.116 -14.544 703 HG SER 89 HG SER 89 8.059 3.786 -12.282 704 H THR 90 H THR 90 8.780 3.626 -17.010 705 HA THR 90 HA THR 90 6.328 3.408 -18.582 706 HB THR 90 HB THR 90 8.422 2.957 -20.315 707 HG1 THR 90 HG1 THR 90 9.252 4.990 -18.480 708 HG21 THR 90 3HG2 THR 90 8.064 5.266 -21.032 709 HG22 THR 90 1HG2 THR 90 7.232 5.615 -19.517 710 HG23 THR 90 2HG2 THR 90 6.533 4.473 -20.665 711 H ASP 91 H ASP 91 8.623 1.488 -17.009 712 HA ASP 91 HA ASP 91 7.726 -0.904 -18.471 713 HB2 ASP 91 1HB ASP 91 10.335 -0.363 -17.045 714 HB3 ASP 91 2HB ASP 91 9.839 -1.968 -17.570 715 H GLN 92 H GLN 92 8.580 -2.804 -16.633 716 HA GLN 92 HA GLN 92 6.405 -2.866 -14.869 717 HB2 GLN 92 1HB GLN 92 7.477 -4.858 -13.910 718 HB3 GLN 92 2HB GLN 92 7.442 -4.908 -15.666 719 HG2 GLN 92 1HG GLN 92 9.756 -4.390 -15.803 720 HG3 GLN 92 2HG GLN 92 9.836 -4.017 -14.082 721 HE21 GLN 92 2HE2 GLN 92 8.061 -6.727 -15.378 722 HE22 GLN 92 1HE2 GLN 92 9.084 -7.958 -14.717 723 H GLN 93 H GLN 93 6.330 -2.825 -12.608 724 HA GLN 93 HA GLN 93 8.599 -1.707 -11.152 725 HB2 GLN 93 1HB GLN 93 6.868 0.070 -12.119 726 HB3 GLN 93 2HB GLN 93 5.934 -0.421 -10.719 727 HG2 GLN 93 1HG GLN 93 8.764 0.574 -10.553 728 HG3 GLN 93 2HG GLN 93 7.353 1.622 -10.439 729 HE21 GLN 93 2HE2 GLN 93 9.293 -0.762 -8.838 730 HE22 GLN 93 1HE2 GLN 93 8.524 -0.632 -7.292 731 H THR 94 H THR 94 8.832 -2.961 -9.412 732 HA THR 94 HA THR 94 6.501 -4.437 -8.419 733 HB THR 94 HB THR 94 9.418 -4.947 -7.824 734 HG1 THR 94 HG1 THR 94 8.799 -5.192 -10.086 735 HG21 THR 94 3HG2 THR 94 6.946 -6.644 -7.441 736 HG22 THR 94 1HG2 THR 94 7.910 -5.902 -6.165 737 HG23 THR 94 2HG2 THR 94 8.602 -7.183 -7.162 738 H VAL 95 H VAL 95 5.560 -3.804 -6.631 739 HA VAL 95 HA VAL 95 7.087 -2.230 -4.657 740 HB VAL 95 HB VAL 95 4.078 -2.377 -4.902 741 HG11 VAL 95 1HG1 VAL 95 5.874 -0.432 -3.459 742 HG12 VAL 95 2HG1 VAL 95 4.935 -1.720 -2.711 743 HG13 VAL 95 3HG1 VAL 95 4.111 -0.379 -3.504 744 HG21 VAL 95 3HG2 VAL 95 4.198 -0.144 -5.949 745 HG22 VAL 95 1HG2 VAL 95 4.918 -1.409 -6.948 746 HG23 VAL 95 2HG2 VAL 95 5.952 -0.306 -6.038 747 H ASP 96 H ASP 96 7.733 -3.482 -3.014 748 HA ASP 96 HA ASP 96 6.158 -5.826 -2.263 749 HB2 ASP 96 1HB ASP 96 8.768 -5.676 -2.507 750 HB3 ASP 96 2HB ASP 96 8.694 -4.968 -0.897 751 H VAL 97 H VAL 97 4.572 -5.543 -0.806 752 HA VAL 97 HA VAL 97 4.736 -3.168 0.925 753 HB VAL 97 HB VAL 97 2.239 -4.619 0.042 754 HG11 VAL 97 1HG1 VAL 97 1.082 -2.614 0.847 755 HG12 VAL 97 2HG1 VAL 97 2.622 -1.950 1.393 756 HG13 VAL 97 3HG1 VAL 97 1.979 -3.412 2.139 757 HG21 VAL 97 3HG2 VAL 97 3.385 -3.602 -1.868 758 HG22 VAL 97 1HG2 VAL 97 3.406 -2.053 -1.029 759 HG23 VAL 97 2HG2 VAL 97 1.870 -2.777 -1.504 760 H TYR 98 H TYR 98 4.731 -3.388 3.045 761 HA TYR 98 HA TYR 98 4.071 -6.029 4.191 762 HB2 TYR 98 1HB TYR 98 5.854 -3.885 5.373 763 HB3 TYR 98 2HB TYR 98 5.580 -5.493 6.017 764 HD1 TYR 98 HD1 TYR 98 6.474 -7.475 4.756 765 HD2 TYR 98 HD2 TYR 98 7.514 -3.472 3.768 766 HE1 TYR 98 HE1 TYR 98 8.446 -8.291 3.542 767 HE2 TYR 98 HE2 TYR 98 9.484 -4.276 2.543 768 HH TYR 98 HH TYR 98 9.907 -7.196 1.459 769 H PHE 99 H PHE 99 2.362 -6.076 5.539 770 HA PHE 99 HA PHE 99 1.530 -3.548 6.815 771 HB2 PHE 99 1HB PHE 99 -0.096 -6.021 6.172 772 HB3 PHE 99 2HB PHE 99 -0.694 -4.657 7.110 773 HD1 PHE 99 HD2 PHE 99 -0.933 -2.432 6.013 774 HD2 PHE 99 HD1 PHE 99 -0.059 -5.969 3.811 775 HE1 PHE 99 HE2 PHE 99 -1.658 -1.321 3.941 776 HE2 PHE 99 HE1 PHE 99 -0.790 -4.864 1.736 777 HZ PHE 99 HZ PHE 99 -1.588 -2.536 1.801 778 H GLN 100 H GLN 100 2.197 -3.442 8.887 779 HA GLN 100 HA GLN 100 2.545 -5.998 10.321 780 HB2 GLN 100 1HB GLN 100 4.632 -4.734 9.713 781 HB3 GLN 100 2HB GLN 100 4.088 -3.444 10.774 782 HG2 GLN 100 1HG GLN 100 4.173 -4.937 12.679 783 HG3 GLN 100 2HG GLN 100 4.642 -6.275 11.629 784 HE21 GLN 100 2HE2 GLN 100 5.807 -3.003 11.251 785 HE22 GLN 100 1HE2 GLN 100 7.446 -3.329 11.691 786 H ASP 101 H ASP 101 1.491 -6.277 12.169 787 HA ASP 101 HA ASP 101 -0.074 -4.071 13.252 788 HB2 ASP 101 1HB ASP 101 -1.535 -5.687 13.765 789 HB3 ASP 101 2HB ASP 101 -0.435 -6.872 13.077 790 H SER 102 H SER 102 -0.139 -3.875 15.700 791 HA SER 102 HA SER 102 2.391 -2.984 16.542 792 HB2 SER 102 1HB SER 102 0.175 -2.055 17.274 793 HB3 SER 102 2HB SER 102 -0.032 -3.482 18.284 794 HG SER 102 HG SER 102 1.858 -2.873 19.421 795 H PHE 103 H PHE 103 0.677 -6.008 17.094 796 HA PHE 103 HA PHE 103 2.419 -6.817 19.251 797 HB2 PHE 103 1HB PHE 103 0.118 -7.618 19.214 798 HB3 PHE 103 2HB PHE 103 0.374 -8.371 17.645 799 HD1 PHE 103 HD2 PHE 103 1.399 -8.491 21.199 800 HD2 PHE 103 HD1 PHE 103 1.223 -10.550 17.480 801 HE1 PHE 103 HE2 PHE 103 2.096 -10.569 22.319 802 HE2 PHE 103 HE1 PHE 103 1.920 -12.630 18.590 803 HZ PHE 103 HZ PHE 103 2.356 -12.641 21.013 804 H GLY 104 H GLY 104 2.375 -7.094 15.787 805 HA2 GLY 104 1HA GLY 104 4.681 -7.423 14.893 806 HA3 GLY 104 2HA GLY 104 4.788 -8.795 15.982 807 H GLN 105 H GLN 105 1.694 -8.539 14.612 808 HA GLN 105 HA GLN 105 2.150 -10.801 12.896 809 HB2 GLN 105 1HB GLN 105 -0.004 -10.547 14.013 810 HB3 GLN 105 2HB GLN 105 -0.261 -9.000 13.220 811 HG2 GLN 105 1HG GLN 105 -1.587 -10.652 12.119 812 HG3 GLN 105 2HG GLN 105 -0.287 -10.164 11.039 813 HE21 GLN 105 2HE2 GLN 105 -1.889 -12.588 11.028 814 HE22 GLN 105 1HE2 GLN 105 -0.781 -13.906 11.161 815 H LEU 106 H LEU 106 2.892 -10.714 10.890 816 HA LEU 106 HA LEU 106 2.872 -8.099 9.545 817 HB2 LEU 106 1HB LEU 106 5.089 -8.790 10.354 818 HB3 LEU 106 2HB LEU 106 4.965 -10.272 9.429 819 HG LEU 106 HG LEU 106 5.007 -9.004 7.341 820 HD11 LEU 106 1HD1 LEU 106 5.253 -6.595 9.139 821 HD12 LEU 106 2HD1 LEU 106 3.902 -6.972 8.071 822 HD13 LEU 106 3HD1 LEU 106 5.482 -6.586 7.394 823 HD21 LEU 106 3HD2 LEU 106 7.311 -8.261 7.442 824 HD22 LEU 106 1HD2 LEU 106 7.117 -9.735 8.393 825 HD23 LEU 106 2HD2 LEU 106 7.229 -8.172 9.203 826 H GLN 107 H GLN 107 1.853 -8.015 7.675 827 HA GLN 107 HA GLN 107 1.369 -10.520 6.202 828 HB2 GLN 107 1HB GLN 107 -0.210 -7.977 6.445 829 HB3 GLN 107 2HB GLN 107 -0.412 -9.011 5.037 830 HG2 GLN 107 1HG GLN 107 -0.817 -9.855 7.899 831 HG3 GLN 107 2HG GLN 107 -2.096 -9.452 6.752 832 HE21 GLN 107 2HE2 GLN 107 -1.603 -11.934 8.177 833 HE22 GLN 107 1HE2 GLN 107 -1.417 -13.155 6.970 834 H GLN 108 H GLN 108 2.229 -10.775 4.282 835 HA GLN 108 HA GLN 108 3.678 -8.511 3.091 836 HB2 GLN 108 1HB GLN 108 5.241 -10.171 3.637 837 HB3 GLN 108 2HB GLN 108 4.172 -11.475 3.151 838 HG2 GLN 108 1HG GLN 108 5.984 -11.278 1.601 839 HG3 GLN 108 2HG GLN 108 4.481 -10.832 0.807 840 HE21 GLN 108 2HE2 GLN 108 7.548 -9.742 1.979 841 HE22 GLN 108 1HE2 GLN 108 7.526 -8.202 1.175 842 H LEU 109 H LEU 109 2.735 -7.649 1.399 843 HA LEU 109 HA LEU 109 1.398 -9.418 -0.540 844 HB2 LEU 109 1HB LEU 109 0.539 -6.647 0.311 845 HB3 LEU 109 2HB LEU 109 -0.133 -7.510 -1.057 846 HG LEU 109 HG LEU 109 -0.315 -8.399 1.824 847 HD11 LEU 109 1HD1 LEU 109 -1.655 -6.414 1.372 848 HD12 LEU 109 2HD1 LEU 109 -2.677 -7.829 1.624 849 HD13 LEU 109 3HD1 LEU 109 -2.397 -7.221 -0.007 850 HD21 LEU 109 3HD2 LEU 109 -1.620 -9.526 -0.653 851 HD22 LEU 109 1HD2 LEU 109 -1.842 -10.097 1.002 852 HD23 LEU 109 2HD2 LEU 109 -0.271 -10.261 0.214 853 H THR 110 H THR 110 2.715 -9.484 -2.226 854 HA THR 110 HA THR 110 4.320 -7.130 -2.889 855 HB THR 110 HB THR 110 4.494 -9.896 -4.101 856 HG1 THR 110 HG1 THR 110 6.110 -8.792 -2.009 857 HG21 THR 110 3HG2 THR 110 5.526 -8.111 -5.429 858 HG22 THR 110 1HG2 THR 110 6.747 -9.186 -4.745 859 HG23 THR 110 2HG2 THR 110 6.462 -7.603 -4.022 860 H PHE 111 H PHE 111 3.541 -5.766 -4.347 861 HA PHE 111 HA PHE 111 1.751 -6.798 -6.439 862 HB2 PHE 111 1HB PHE 111 2.233 -3.966 -5.479 863 HB3 PHE 111 2HB PHE 111 1.188 -4.395 -6.828 864 HD1 PHE 111 HD2 PHE 111 1.585 -4.428 -3.195 865 HD2 PHE 111 HD1 PHE 111 -0.961 -5.435 -6.456 866 HE1 PHE 111 HE2 PHE 111 -0.295 -4.722 -1.636 867 HE2 PHE 111 HE1 PHE 111 -2.845 -5.728 -4.900 868 HZ PHE 111 HZ PHE 111 -2.515 -5.372 -2.487 869 H SER 112 H SER 112 2.681 -7.201 -8.328 870 HA SER 112 HA SER 112 4.975 -5.528 -9.098 871 HB2 SER 112 1HB SER 112 5.645 -7.546 -10.524 872 HB3 SER 112 2HB SER 112 5.853 -7.705 -8.782 873 HG SER 112 HG SER 112 4.649 -9.394 -10.251 874 H PHE 113 H PHE 113 4.286 -4.084 -10.518 875 HA PHE 113 HA PHE 113 2.115 -4.751 -12.331 876 HB2 PHE 113 1HB PHE 113 3.677 -2.178 -11.993 877 HB3 PHE 113 2HB PHE 113 2.257 -2.381 -13.014 878 HD1 PHE 113 HD1 PHE 113 0.059 -2.931 -11.928 879 HD2 PHE 113 HD2 PHE 113 3.476 -1.708 -9.702 880 HE1 PHE 113 HE1 PHE 113 -1.390 -2.352 -10.027 881 HE2 PHE 113 HE2 PHE 113 2.031 -1.129 -7.796 882 HZ PHE 113 HZ PHE 113 -0.406 -1.456 -7.956 883 H ASN 114 H ASN 114 2.897 -6.162 -13.795 884 HA ASN 114 HA ASN 114 4.891 -5.089 -15.653 885 HB2 ASN 114 1HB ASN 114 5.647 -7.561 -15.944 886 HB3 ASN 114 2HB ASN 114 6.250 -6.644 -14.573 887 HD21 ASN 114 2HD2 ASN 114 6.697 -8.477 -13.389 888 HD22 ASN 114 1HD2 ASN 114 5.454 -9.460 -12.685 889 H ASN 115 H ASN 115 3.009 -8.094 -15.500 890 HA ASN 115 HA ASN 115 1.353 -7.147 -17.713 891 HB2 ASN 115 1HB ASN 115 2.931 -9.729 -17.740 892 HB3 ASN 115 2HB ASN 115 1.554 -9.436 -18.795 893 HD21 ASN 115 2HD2 ASN 115 4.870 -8.782 -18.176 894 HD22 ASN 115 1HD2 ASN 115 5.176 -7.860 -19.609 895 H ASP 116 H ASP 116 1.907 -9.193 -14.978 896 HA ASP 116 HA ASP 116 -0.809 -10.250 -15.059 897 HB2 ASP 116 1HB ASP 116 1.563 -10.798 -13.278 898 HB3 ASP 116 2HB ASP 116 -0.049 -11.388 -12.889 899 H SER 117 H SER 117 -2.425 -9.252 -14.069 900 HA SER 117 HA SER 117 -1.765 -7.459 -11.831 901 HB2 SER 117 1HB SER 117 -2.627 -6.303 -13.881 902 HB3 SER 117 2HB SER 117 -4.130 -7.208 -13.703 903 HG SER 117 HG SER 117 -3.177 -5.047 -12.274 904 H SER 118 H SER 118 -2.318 -8.322 -9.993 905 HA SER 118 HA SER 118 -3.544 -9.206 -8.311 906 HB2 SER 118 1HB SER 118 -5.876 -9.268 -10.242 907 HB3 SER 118 2HB SER 118 -5.957 -9.378 -8.483 908 HG SER 118 HG SER 118 -4.923 -7.157 -9.922 909 H LYS 119 H LYS 119 -2.324 -11.076 -8.229 910 HA LYS 119 HA LYS 119 -3.030 -13.377 -9.820 911 HB2 LYS 119 1HB LYS 119 -0.699 -12.999 -9.133 912 HB3 LYS 119 2HB LYS 119 -1.173 -13.110 -7.445 913 HG2 LYS 119 1HG LYS 119 -0.138 -15.170 -8.121 914 HG3 LYS 119 2HG LYS 119 -1.852 -15.463 -7.829 915 HD2 LYS 119 1HD LYS 119 -2.303 -15.421 -10.204 916 HD3 LYS 119 2HD LYS 119 -0.630 -14.982 -10.544 917 HE2 LYS 119 1HE LYS 119 -0.902 -17.324 -10.978 918 HE3 LYS 119 2HE LYS 119 0.089 -17.131 -9.533 919 HZ1 LYS 119 3HZ LYS 119 -2.827 -17.721 -9.520 920 HZ2 LYS 119 1HZ LYS 119 -1.806 -17.649 -8.162 921 HZ3 LYS 119 2HZ LYS 119 -1.605 -18.877 -9.317 922 H GLU 120 H GLU 120 -4.974 -14.232 -9.388 923 HA GLU 120 HA GLU 120 -5.366 -15.500 -6.840 924 HB2 GLU 120 1HB GLU 120 -6.264 -13.201 -6.457 925 HB3 GLU 120 2HB GLU 120 -7.401 -13.461 -7.773 926 HG2 GLU 120 1HG GLU 120 -8.373 -13.782 -5.516 927 HG3 GLU 120 2HG GLU 120 -8.510 -15.197 -6.561 928 H GLU 121 H GLU 121 -6.795 -17.218 -6.977 929 HA GLU 121 HA GLU 121 -7.453 -17.947 -9.751 930 HB2 GLU 121 1HB GLU 121 -7.172 -19.749 -7.341 931 HB3 GLU 121 2HB GLU 121 -7.348 -20.256 -9.017 932 HG2 GLU 121 1HG GLU 121 -4.998 -18.867 -7.757 933 HG3 GLU 121 2HG GLU 121 -5.062 -20.503 -8.409 934 H GLU 122 H GLU 122 -9.018 -16.291 -7.861 935 HA GLU 122 HA GLU 122 -11.173 -15.866 -7.376 936 HB2 GLU 122 1HB GLU 122 -11.778 -18.345 -9.003 937 HB3 GLU 122 2HB GLU 122 -12.966 -17.170 -8.454 938 HG2 GLU 122 1HG GLU 122 -10.698 -16.630 -10.361 939 HG3 GLU 122 2HG GLU 122 -12.396 -16.831 -10.791 940 H LEU 123 H LEU 123 -11.602 -19.376 -7.437 941 HA LEU 123 HA LEU 123 -12.326 -20.836 -5.852 942 HB2 LEU 123 1HB LEU 123 -10.001 -20.226 -5.013 943 HB3 LEU 123 2HB LEU 123 -10.788 -19.142 -3.882 944 HG LEU 123 HG LEU 123 -11.977 -21.075 -2.891 945 HD11 LEU 123 1HD1 LEU 123 -11.269 -23.341 -3.463 946 HD12 LEU 123 2HD1 LEU 123 -10.239 -22.701 -4.746 947 HD13 LEU 123 3HD1 LEU 123 -11.992 -22.528 -4.850 948 HD21 LEU 123 3HD2 LEU 123 -8.974 -21.329 -2.992 949 HD22 LEU 123 1HD2 LEU 123 -10.025 -22.046 -1.772 950 HD23 LEU 123 2HD2 LEU 123 -9.897 -20.293 -1.906 951 H GLU 124 H GLU 124 -14.047 -18.812 -6.516 952 HA GLU 124 HA GLU 124 -16.047 -17.924 -5.964 953 HB2 GLU 124 1HB GLU 124 -16.317 -19.923 -4.477 954 HB3 GLU 124 2HB GLU 124 -15.629 -18.982 -3.163 955 HG2 GLU 124 1HG GLU 124 -18.107 -19.116 -3.144 956 HG3 GLU 124 2HG GLU 124 -17.470 -17.472 -3.173 957 H HIS 125 H HIS 125 -16.936 -16.046 -4.914 958 HA HIS 125 HA HIS 125 -14.767 -14.202 -4.228 959 HB2 HIS 125 1HB HIS 125 -17.639 -13.712 -5.045 960 HB3 HIS 125 2HB HIS 125 -16.485 -12.440 -4.662 961 HD1 HIS 125 HD1 HIS 125 -17.914 -13.054 -7.501 962 HD2 HIS 125 HD2 HIS 125 -13.978 -13.862 -6.417 963 HE1 HIS 125 HE1 HIS 125 -16.623 -13.186 -9.660 964 HE2 HIS 125 HE2 HIS 125 -14.287 -13.863 -8.985 965 H HIS 126 H HIS 126 -17.047 -12.442 -3.049 966 HA HIS 126 HA HIS 126 -16.416 -13.113 -0.338 967 HB2 HIS 126 1HB HIS 126 -16.660 -10.768 -1.052 968 HB3 HIS 126 2HB HIS 126 -18.359 -11.051 -1.409 969 HD1 HIS 126 HD1 HIS 126 -19.938 -10.501 0.404 970 HD2 HIS 126 HD2 HIS 126 -16.091 -11.167 1.842 971 HE1 HIS 126 HE1 HIS 126 -20.033 -9.992 2.869 972 HE2 HIS 126 HE2 HIS 126 -17.725 -10.524 3.747 973 H HIS 127 H HIS 127 -17.290 -15.288 -0.469 974 HA HIS 127 HA HIS 127 -19.582 -15.537 1.110 975 HB2 HIS 127 1HB HIS 127 -20.519 -15.029 -1.320 976 HB3 HIS 127 2HB HIS 127 -20.164 -16.732 -1.576 977 HD1 HIS 127 HD1 HIS 127 -22.271 -18.011 -1.367 978 HD2 HIS 127 HD2 HIS 127 -22.036 -14.930 1.421 979 HE1 HIS 127 HE1 HIS 127 -24.370 -18.175 0.011 980 HE2 HIS 127 HE2 HIS 127 -24.295 -16.186 1.556 981 H HIS 128 H HIS 128 -17.655 -16.606 1.995 982 HA HIS 128 HA HIS 128 -16.413 -18.792 0.689 983 HB2 HIS 128 1HB HIS 128 -15.384 -17.367 2.483 984 HB3 HIS 128 2HB HIS 128 -16.426 -18.170 3.650 985 HD1 HIS 128 HD1 HIS 128 -13.258 -18.541 1.795 986 HD2 HIS 128 HD2 HIS 128 -15.764 -20.934 4.103 987 HE1 HIS 128 HE1 HIS 128 -11.892 -20.567 2.410 988 HE2 HIS 128 HE2 HIS 128 -13.377 -21.930 3.926 989 H HIS 129 H HIS 129 -18.698 -18.658 3.398 990 HA HIS 129 HA HIS 129 -19.946 -21.122 2.642 991 HB2 HIS 129 1HB HIS 129 -17.835 -21.895 3.760 992 HB3 HIS 129 2HB HIS 129 -18.356 -21.072 5.222 993 HD1 HIS 129 HD1 HIS 129 -19.138 -24.058 3.072 994 HD2 HIS 129 HD2 HIS 129 -20.218 -22.438 6.752 995 HE1 HIS 129 HE1 HIS 129 -20.428 -25.866 4.265 996 HE2 HIS 129 HE2 HIS 129 -21.190 -24.810 6.427 997 H HIS 130 H HIS 130 -19.296 -18.887 5.307 998 HA HIS 130 HA HIS 130 -22.165 -18.303 5.435 999 HB2 HIS 130 1HB HIS 130 -20.378 -19.046 7.738 1000 HB3 HIS 130 2HB HIS 130 -21.742 -17.962 7.989 1001 HD1 HIS 130 HD1 HIS 130 -21.014 -21.274 8.586 1002 HD2 HIS 130 HD2 HIS 130 -24.149 -19.429 6.562 1003 HE1 HIS 130 HE1 HIS 130 -22.914 -22.923 8.621 1004 HE2 HIS 130 HE2 HIS 130 -24.853 -21.709 7.565 Start of MODEL 5 1 H1 MET 1 1H MET 1 -14.512 -33.959 4.391 2 H2 MET 1 2H MET 1 -13.571 -32.926 3.424 3 H3 MET 1 3H MET 1 -15.022 -32.368 4.106 4 HA MET 1 HA MET 1 -14.144 -32.476 6.290 5 HB2 MET 1 1HB MET 1 -11.759 -33.713 4.918 6 HB3 MET 1 2HB MET 1 -11.658 -33.017 6.529 7 HG2 MET 1 1HG MET 1 -13.431 -35.302 5.693 8 HG3 MET 1 2HG MET 1 -11.939 -35.423 6.625 9 HE1 MET 1 3HE MET 1 -14.623 -36.753 7.657 10 HE2 MET 1 1HE MET 1 -14.572 -36.283 9.355 11 HE3 MET 1 2HE MET 1 -13.093 -36.782 8.533 12 H ASN 2 H ASN 2 -14.483 -30.286 6.094 13 HA ASN 2 HA ASN 2 -12.089 -28.747 5.308 14 HB2 ASN 2 1HB ASN 2 -14.959 -27.797 5.069 15 HB3 ASN 2 2HB ASN 2 -13.518 -26.915 4.579 16 HD21 ASN 2 2HD2 ASN 2 -15.820 -29.310 3.733 17 HD22 ASN 2 1HD2 ASN 2 -15.220 -29.640 2.144 18 H ASP 3 H ASP 3 -13.240 -29.937 7.848 19 HA ASP 3 HA ASP 3 -14.135 -27.712 9.426 20 HB2 ASP 3 1HB ASP 3 -13.276 -30.466 10.342 21 HB3 ASP 3 2HB ASP 3 -14.206 -29.294 11.271 22 H ASP 4 H ASP 4 -11.214 -29.650 9.143 23 HA ASP 4 HA ASP 4 -9.051 -29.294 9.682 24 HB2 ASP 4 1HB ASP 4 -10.105 -26.556 9.527 25 HB3 ASP 4 2HB ASP 4 -8.656 -26.728 10.513 26 H VAL 5 H VAL 5 -8.214 -30.178 11.377 27 HA VAL 5 HA VAL 5 -7.591 -30.630 13.504 28 HB VAL 5 HB VAL 5 -8.801 -27.944 14.203 29 HG11 VAL 5 1HG1 VAL 5 -6.895 -29.690 15.758 30 HG12 VAL 5 2HG1 VAL 5 -8.582 -29.373 16.160 31 HG13 VAL 5 3HG1 VAL 5 -7.403 -28.063 16.211 32 HG21 VAL 5 3HG2 VAL 5 -6.467 -27.143 14.153 33 HG22 VAL 5 1HG2 VAL 5 -7.029 -27.699 12.577 34 HG23 VAL 5 2HG2 VAL 5 -5.960 -28.718 13.541 35 H ASP 6 H ASP 6 -10.504 -28.786 14.297 36 HA ASP 6 HA ASP 6 -12.291 -30.890 14.695 37 HB2 ASP 6 1HB ASP 6 -10.659 -31.645 16.418 38 HB3 ASP 6 2HB ASP 6 -10.834 -30.097 17.236 39 H ILE 7 H ILE 7 -11.094 -28.059 16.442 40 HA ILE 7 HA ILE 7 -13.656 -26.713 15.933 41 HB ILE 7 HB ILE 7 -13.314 -25.481 18.097 42 HG12 ILE 7 1HG1 ILE 7 -11.314 -27.694 18.612 43 HG13 ILE 7 2HG1 ILE 7 -10.920 -25.993 18.390 44 HG21 ILE 7 1HG2 ILE 7 -13.720 -28.459 18.328 45 HG22 ILE 7 2HG2 ILE 7 -14.951 -27.282 17.872 46 HG23 ILE 7 3HG2 ILE 7 -14.251 -27.245 19.491 47 HD11 ILE 7 3HD1 ILE 7 -10.877 -26.623 20.736 48 HD12 ILE 7 1HD1 ILE 7 -12.558 -27.145 20.635 49 HD13 ILE 7 2HD1 ILE 7 -12.151 -25.443 20.420 50 H GLN 8 H GLN 8 -13.436 -24.313 15.991 51 HA GLN 8 HA GLN 8 -10.957 -23.628 14.594 52 HB2 GLN 8 1HB GLN 8 -13.592 -22.140 14.688 53 HB3 GLN 8 2HB GLN 8 -12.186 -21.660 13.751 54 HG2 GLN 8 1HG GLN 8 -13.527 -22.693 12.187 55 HG3 GLN 8 2HG GLN 8 -12.396 -23.965 12.640 56 HE21 GLN 8 2HE2 GLN 8 -15.083 -22.911 14.627 57 HE22 GLN 8 1HE2 GLN 8 -16.004 -24.369 14.490 58 H GLN 9 H GLN 9 -9.512 -23.137 16.156 59 HA GLN 9 HA GLN 9 -10.209 -20.875 17.926 60 HB2 GLN 9 1HB GLN 9 -8.036 -22.953 18.278 61 HB3 GLN 9 2HB GLN 9 -8.371 -21.626 19.381 62 HG2 GLN 9 1HG GLN 9 -10.315 -23.823 18.722 63 HG3 GLN 9 2HG GLN 9 -9.251 -23.817 20.125 64 HE21 GLN 9 2HE2 GLN 9 -9.517 -20.954 20.567 65 HE22 GLN 9 1HE2 GLN 9 -11.095 -20.714 21.230 66 H SER 10 H SER 10 -8.701 -21.682 15.143 67 HA SER 10 HA SER 10 -6.480 -19.802 15.430 68 HB2 SER 10 1HB SER 10 -5.949 -20.738 13.074 69 HB3 SER 10 2HB SER 10 -5.730 -21.815 14.454 70 HG SER 10 HG SER 10 -7.686 -21.837 12.452 71 H TYR 11 H TYR 11 -6.962 -17.738 14.949 72 HA TYR 11 HA TYR 11 -8.369 -17.198 12.459 73 HB2 TYR 11 1HB TYR 11 -9.860 -15.545 13.477 74 HB3 TYR 11 2HB TYR 11 -10.136 -17.140 14.162 75 HD1 TYR 11 HD1 TYR 11 -9.027 -17.647 16.431 76 HD2 TYR 11 HD2 TYR 11 -9.470 -13.719 14.862 77 HE1 TYR 11 HE1 TYR 11 -8.781 -16.719 18.698 78 HE2 TYR 11 HE2 TYR 11 -9.219 -12.779 17.117 79 HH TYR 11 HH TYR 11 -8.098 -14.571 19.748 80 HA PRO 12 HA PRO 12 -5.226 -13.992 12.562 81 HB2 PRO 12 1HB PRO 12 -4.854 -14.039 9.852 82 HB3 PRO 12 2HB PRO 12 -4.056 -15.150 10.966 83 HG2 PRO 12 1HG PRO 12 -6.095 -15.724 8.988 84 HG3 PRO 12 2HG PRO 12 -5.175 -16.858 9.989 85 HD2 PRO 12 1HD PRO 12 -7.896 -15.816 10.369 86 HD3 PRO 12 2HD PRO 12 -7.123 -17.235 11.105 87 H PHE 13 H PHE 13 -5.030 -12.006 10.889 88 HA PHE 13 HA PHE 13 -7.734 -10.899 10.683 89 HB2 PHE 13 1HB PHE 13 -5.036 -9.533 10.579 90 HB3 PHE 13 2HB PHE 13 -6.579 -8.709 10.378 91 HD1 PHE 13 HD1 PHE 13 -8.272 -9.784 12.407 92 HD2 PHE 13 HD2 PHE 13 -4.110 -8.919 12.587 93 HE1 PHE 13 HE1 PHE 13 -8.446 -9.482 14.842 94 HE2 PHE 13 HE2 PHE 13 -4.274 -8.619 15.024 95 HZ PHE 13 HZ PHE 13 -6.444 -8.901 16.158 96 H SER 14 H SER 14 -8.597 -10.228 8.764 97 HA SER 14 HA SER 14 -7.274 -11.329 6.396 98 HB2 SER 14 1HB SER 14 -10.084 -10.253 6.517 99 HB3 SER 14 2HB SER 14 -9.415 -11.453 5.412 100 HG SER 14 HG SER 14 -9.062 -12.653 7.569 101 H ILE 15 H ILE 15 -6.048 -9.903 5.278 102 HA ILE 15 HA ILE 15 -7.085 -7.166 4.988 103 HB ILE 15 HB ILE 15 -4.259 -8.165 4.560 104 HG12 ILE 15 1HG1 ILE 15 -5.470 -6.418 6.716 105 HG13 ILE 15 2HG1 ILE 15 -4.865 -8.056 6.925 106 HG21 ILE 15 1HG2 ILE 15 -5.409 -5.384 4.344 107 HG22 ILE 15 2HG2 ILE 15 -4.779 -6.366 3.021 108 HG23 ILE 15 3HG2 ILE 15 -3.692 -5.782 4.282 109 HD11 ILE 15 3HD1 ILE 15 -3.207 -5.662 6.173 110 HD12 ILE 15 1HD1 ILE 15 -2.609 -7.301 6.427 111 HD13 ILE 15 2HD1 ILE 15 -3.302 -6.396 7.774 112 H GLU 16 H GLU 16 -8.209 -6.953 3.188 113 HA GLU 16 HA GLU 16 -7.328 -8.433 0.805 114 HB2 GLU 16 1HB GLU 16 -9.881 -8.240 2.028 115 HB3 GLU 16 2HB GLU 16 -9.974 -7.394 0.490 116 HG2 GLU 16 1HG GLU 16 -8.963 -10.207 0.842 117 HG3 GLU 16 2HG GLU 16 -10.603 -9.779 0.353 118 H THR 17 H THR 17 -7.470 -7.380 -1.225 119 HA THR 17 HA THR 17 -7.224 -4.451 -1.000 120 HB THR 17 HB THR 17 -5.632 -4.650 -2.965 121 HG1 THR 17 HG1 THR 17 -6.375 -7.004 -3.218 122 HG21 THR 17 3HG2 THR 17 -3.720 -5.242 -1.555 123 HG22 THR 17 1HG2 THR 17 -4.811 -5.951 -0.364 124 HG23 THR 17 2HG2 THR 17 -4.859 -4.217 -0.680 125 H MET 18 H MET 18 -8.310 -3.215 -2.435 126 HA MET 18 HA MET 18 -10.171 -4.444 -4.241 127 HB2 MET 18 1HB MET 18 -9.352 -1.545 -3.903 128 HB3 MET 18 2HB MET 18 -10.692 -2.099 -4.899 129 HG2 MET 18 1HG MET 18 -10.460 -2.515 -1.930 130 HG3 MET 18 2HG MET 18 -11.393 -1.235 -2.700 131 HE1 MET 18 3HE MET 18 -12.704 -2.632 -5.186 132 HE2 MET 18 1HE MET 18 -13.575 -1.593 -4.057 133 HE3 MET 18 2HE MET 18 -14.231 -3.172 -4.490 134 HA PRO 19 HA PRO 19 -7.387 -5.499 -7.430 135 HB2 PRO 19 1HB PRO 19 -9.679 -4.747 -9.191 136 HB3 PRO 19 2HB PRO 19 -8.693 -6.215 -9.190 137 HG2 PRO 19 1HG PRO 19 -11.127 -6.237 -8.130 138 HG3 PRO 19 2HG PRO 19 -9.796 -7.112 -7.346 139 HD2 PRO 19 1HD PRO 19 -11.092 -4.534 -6.580 140 HD3 PRO 19 2HD PRO 19 -10.409 -5.808 -5.550 141 H VAL 20 H VAL 20 -5.787 -4.375 -8.245 142 HA VAL 20 HA VAL 20 -6.107 -1.574 -8.926 143 HB VAL 20 HB VAL 20 -3.676 -1.553 -9.206 144 HG11 VAL 20 1HG1 VAL 20 -4.530 -3.005 -6.702 145 HG12 VAL 20 2HG1 VAL 20 -4.575 -1.261 -6.962 146 HG13 VAL 20 3HG1 VAL 20 -3.028 -2.106 -6.911 147 HG21 VAL 20 3HG2 VAL 20 -2.328 -3.552 -8.756 148 HG22 VAL 20 1HG2 VAL 20 -3.352 -3.760 -10.177 149 HG23 VAL 20 2HG2 VAL 20 -3.801 -4.516 -8.648 150 HA PRO 21 HA PRO 21 -6.436 -2.075 -13.278 151 HB2 PRO 21 1HB PRO 21 -4.503 -0.003 -13.893 152 HB3 PRO 21 2HB PRO 21 -6.259 0.044 -14.036 153 HG2 PRO 21 1HG PRO 21 -4.804 1.468 -12.191 154 HG3 PRO 21 2HG PRO 21 -6.514 1.042 -12.011 155 HD2 PRO 21 1HD PRO 21 -4.114 -0.141 -10.731 156 HD3 PRO 21 2HD PRO 21 -5.772 0.001 -10.118 157 H LYS 22 H LYS 22 -5.479 -3.088 -15.017 158 HA LYS 22 HA LYS 22 -2.873 -4.256 -14.533 159 HB2 LYS 22 1HB LYS 22 -4.915 -4.664 -16.715 160 HB3 LYS 22 2HB LYS 22 -3.335 -5.429 -16.740 161 HG2 LYS 22 1HG LYS 22 -4.749 -7.057 -15.873 162 HG3 LYS 22 2HG LYS 22 -3.954 -6.381 -14.454 163 HD2 LYS 22 1HD LYS 22 -5.912 -4.996 -14.006 164 HD3 LYS 22 2HD LYS 22 -6.709 -5.642 -15.443 165 HE2 LYS 22 1HE LYS 22 -6.503 -7.917 -14.433 166 HE3 LYS 22 2HE LYS 22 -5.903 -7.151 -12.964 167 HZ1 LYS 22 3HZ LYS 22 -7.989 -5.933 -12.793 168 HZ2 LYS 22 1HZ LYS 22 -8.259 -7.609 -12.802 169 HZ3 LYS 22 2HZ LYS 22 -8.566 -6.689 -14.195 170 H LYS 23 H LYS 23 -4.327 -1.784 -16.481 171 HA LYS 23 HA LYS 23 -1.730 -1.311 -17.772 172 HB2 LYS 23 1HB LYS 23 -2.966 0.156 -19.338 173 HB3 LYS 23 2HB LYS 23 -3.526 -1.510 -19.380 174 HG2 LYS 23 1HG LYS 23 -5.514 -0.972 -18.216 175 HG3 LYS 23 2HG LYS 23 -4.909 0.627 -17.774 176 HD2 LYS 23 1HD LYS 23 -5.470 -0.291 -20.595 177 HD3 LYS 23 2HD LYS 23 -6.561 0.692 -19.617 178 HE2 LYS 23 1HE LYS 23 -4.965 2.475 -19.514 179 HE3 LYS 23 2HE LYS 23 -3.736 1.482 -20.291 180 HZ1 LYS 23 3HZ LYS 23 -5.082 1.444 -22.295 181 HZ2 LYS 23 1HZ LYS 23 -4.722 3.037 -21.843 182 HZ3 LYS 23 2HZ LYS 23 -6.266 2.400 -21.545 183 H LEU 24 H LEU 24 -0.516 0.279 -17.006 184 HA LEU 24 HA LEU 24 -1.860 2.403 -15.494 185 HB2 LEU 24 1HB LEU 24 0.802 1.100 -15.002 186 HB3 LEU 24 2HB LEU 24 0.378 2.652 -14.303 187 HG LEU 24 HG LEU 24 -1.102 0.061 -13.844 188 HD11 LEU 24 1HD1 LEU 24 1.052 0.094 -12.727 189 HD12 LEU 24 2HD1 LEU 24 -0.256 0.275 -11.555 190 HD13 LEU 24 3HD1 LEU 24 0.690 1.679 -12.046 191 HD21 LEU 24 3HD2 LEU 24 -1.510 2.788 -12.617 192 HD22 LEU 24 1HD2 LEU 24 -2.388 1.316 -12.206 193 HD23 LEU 24 2HD2 LEU 24 -2.570 2.032 -13.807 194 H LYS 25 H LYS 25 -2.023 4.051 -16.715 195 HA LYS 25 HA LYS 25 -0.260 4.844 -18.783 196 HB2 LYS 25 1HB LYS 25 -2.534 5.533 -18.902 197 HB3 LYS 25 2HB LYS 25 -2.504 6.182 -17.272 198 HG2 LYS 25 1HG LYS 25 -2.560 8.013 -18.763 199 HG3 LYS 25 2HG LYS 25 -0.927 7.941 -18.102 200 HD2 LYS 25 1HD LYS 25 -0.159 6.814 -20.138 201 HD3 LYS 25 2HD LYS 25 -1.796 6.904 -20.794 202 HE2 LYS 25 1HE LYS 25 -1.705 9.347 -20.681 203 HE3 LYS 25 2HE LYS 25 -0.068 9.255 -20.031 204 HZ1 LYS 25 3HZ LYS 25 0.616 8.149 -22.094 205 HZ2 LYS 25 1HZ LYS 25 -0.001 9.704 -22.377 206 HZ3 LYS 25 2HZ LYS 25 -0.953 8.345 -22.717 207 H VAL 26 H VAL 26 1.314 6.480 -18.812 208 HA VAL 26 HA VAL 26 2.669 7.160 -16.426 209 HB VAL 26 HB VAL 26 2.718 8.598 -19.089 210 HG11 VAL 26 1HG1 VAL 26 3.610 9.981 -17.298 211 HG12 VAL 26 2HG1 VAL 26 4.907 9.439 -18.363 212 HG13 VAL 26 3HG1 VAL 26 4.675 8.669 -16.792 213 HG21 VAL 26 3HG2 VAL 26 3.328 6.249 -19.322 214 HG22 VAL 26 1HG2 VAL 26 4.512 6.415 -18.025 215 HG23 VAL 26 2HG2 VAL 26 4.738 7.283 -19.543 216 H GLY 27 H GLY 27 1.865 8.387 -14.856 217 HA2 GLY 27 1HA GLY 27 1.063 10.490 -14.034 218 HA3 GLY 27 2HA GLY 27 0.242 10.740 -15.571 219 H GLU 28 H GLU 28 -0.167 7.579 -14.714 220 HA GLU 28 HA GLU 28 -2.918 8.012 -13.950 221 HB2 GLU 28 1HB GLU 28 -2.237 6.206 -15.521 222 HB3 GLU 28 2HB GLU 28 -1.376 5.423 -14.204 223 HG2 GLU 28 1HG GLU 28 -3.509 4.360 -14.569 224 HG3 GLU 28 2HG GLU 28 -3.486 5.154 -12.995 225 H THR 29 H THR 29 -3.888 7.237 -12.043 226 HA THR 29 HA THR 29 -2.010 6.905 -9.801 227 HB THR 29 HB THR 29 -4.822 8.013 -9.655 228 HG1 THR 29 HG1 THR 29 -2.546 9.177 -10.477 229 HG21 THR 29 3HG2 THR 29 -2.575 7.994 -7.627 230 HG22 THR 29 1HG2 THR 29 -4.012 6.967 -7.577 231 HG23 THR 29 2HG2 THR 29 -4.171 8.717 -7.405 232 H ALA 30 H ALA 30 -1.923 4.851 -9.241 233 HA ALA 30 HA ALA 30 -4.183 3.076 -9.576 234 HB1 ALA 30 3HB ALA 30 -1.486 2.549 -8.327 235 HB2 ALA 30 1HB ALA 30 -1.901 2.272 -10.018 236 HB3 ALA 30 2HB ALA 30 -2.694 1.336 -8.750 237 H GLU 31 H GLU 31 -5.764 3.659 -8.200 238 HA GLU 31 HA GLU 31 -5.236 4.308 -5.451 239 HB2 GLU 31 1HB GLU 31 -7.066 5.334 -6.835 240 HB3 GLU 31 2HB GLU 31 -7.884 3.783 -6.817 241 HG2 GLU 31 1HG GLU 31 -7.163 5.058 -4.227 242 HG3 GLU 31 2HG GLU 31 -8.534 5.678 -5.144 243 H ILE 32 H ILE 32 -4.692 2.763 -4.078 244 HA ILE 32 HA ILE 32 -5.817 0.069 -4.452 245 HB ILE 32 HB ILE 32 -3.405 0.808 -2.786 246 HG12 ILE 32 1HG1 ILE 32 -3.454 -0.301 -5.606 247 HG13 ILE 32 2HG1 ILE 32 -3.053 1.361 -5.186 248 HG21 ILE 32 1HG2 ILE 32 -4.419 -1.831 -3.842 249 HG22 ILE 32 2HG2 ILE 32 -4.455 -1.286 -2.164 250 HG23 ILE 32 3HG2 ILE 32 -2.910 -1.597 -2.957 251 HD11 ILE 32 3HD1 ILE 32 -1.057 0.043 -5.605 252 HD12 ILE 32 1HD1 ILE 32 -1.522 -1.087 -4.333 253 HD13 ILE 32 2HD1 ILE 32 -1.119 0.581 -3.928 254 H ARG 33 H ARG 33 -7.686 0.141 -3.312 255 HA ARG 33 HA ARG 33 -7.689 1.201 -0.613 256 HB2 ARG 33 1HB ARG 33 -9.638 1.733 -1.852 257 HB3 ARG 33 2HB ARG 33 -9.833 0.080 -2.408 258 HG2 ARG 33 1HG ARG 33 -10.622 -0.644 -0.322 259 HG3 ARG 33 2HG ARG 33 -10.057 0.815 0.491 260 HD2 ARG 33 1HD ARG 33 -12.571 0.575 -0.015 261 HD3 ARG 33 2HD ARG 33 -11.783 2.112 -0.362 262 HE ARG 33 HE ARG 33 -11.619 0.746 -2.711 263 HH11 ARG 33 1HH1 ARG 33 -14.272 1.599 -0.573 264 HH12 ARG 33 2HH1 ARG 33 -15.423 1.727 -1.869 265 HH21 ARG 33 1HH2 ARG 33 -13.121 0.960 -4.393 266 HH22 ARG 33 2HH2 ARG 33 -14.773 1.382 -4.031 267 H CYS 34 H CYS 34 -7.159 0.014 1.060 268 HA CYS 34 HA CYS 34 -7.379 -2.919 0.845 269 HB2 CYS 34 1HB CYS 34 -5.412 -1.373 2.548 270 HB3 CYS 34 2HB CYS 34 -5.434 -3.109 2.256 271 HG CYS 34 HG CYS 34 -4.662 -0.685 -0.036 272 H GLN 35 H GLN 35 -8.208 -4.035 2.617 273 HA GLN 35 HA GLN 35 -9.085 -2.389 4.878 274 HB2 GLN 35 1HB GLN 35 -10.997 -2.631 3.317 275 HB3 GLN 35 2HB GLN 35 -10.883 -4.380 3.483 276 HG2 GLN 35 1HG GLN 35 -11.418 -4.235 5.831 277 HG3 GLN 35 2HG GLN 35 -11.401 -2.474 5.759 278 HE21 GLN 35 2HE2 GLN 35 -13.543 -4.230 6.598 279 HE22 GLN 35 1HE2 GLN 35 -14.884 -3.901 5.556 280 H LEU 36 H LEU 36 -8.540 -3.230 6.737 281 HA LEU 36 HA LEU 36 -7.858 -6.064 6.919 282 HB2 LEU 36 1HB LEU 36 -6.293 -4.376 7.836 283 HB3 LEU 36 2HB LEU 36 -7.544 -3.824 8.929 284 HG LEU 36 HG LEU 36 -6.668 -6.686 9.066 285 HD11 LEU 36 1HD1 LEU 36 -4.900 -6.054 10.642 286 HD12 LEU 36 2HD1 LEU 36 -5.194 -4.351 10.288 287 HD13 LEU 36 3HD1 LEU 36 -4.588 -5.423 9.027 288 HD21 LEU 36 3HD2 LEU 36 -7.635 -4.660 11.097 289 HD22 LEU 36 1HD2 LEU 36 -7.176 -6.325 11.470 290 HD23 LEU 36 2HD2 LEU 36 -8.561 -6.004 10.426 291 H HIS 37 H HIS 37 -9.290 -7.473 7.643 292 HA HIS 37 HA HIS 37 -11.640 -6.487 9.099 293 HB2 HIS 37 1HB HIS 37 -12.021 -7.842 7.036 294 HB3 HIS 37 2HB HIS 37 -11.206 -9.195 7.812 295 HD1 HIS 37 HD1 HIS 37 -14.460 -7.607 7.430 296 HD2 HIS 37 HD2 HIS 37 -12.669 -10.209 10.139 297 HE1 HIS 37 HE1 HIS 37 -16.346 -8.627 8.746 298 HE2 HIS 37 HE2 HIS 37 -15.250 -10.204 10.377 299 H ARG 38 H ARG 38 -11.415 -6.538 11.223 300 HA ARG 38 HA ARG 38 -10.021 -8.838 12.408 301 HB2 ARG 38 1HB ARG 38 -9.727 -7.510 14.410 302 HB3 ARG 38 2HB ARG 38 -9.137 -6.604 13.025 303 HG2 ARG 38 1HG ARG 38 -11.025 -5.174 13.047 304 HG3 ARG 38 2HG ARG 38 -11.872 -6.202 14.205 305 HD2 ARG 38 1HD ARG 38 -11.100 -4.576 15.611 306 HD3 ARG 38 2HD ARG 38 -9.756 -5.710 15.676 307 HE ARG 38 HE ARG 38 -8.581 -4.265 14.118 308 HH11 ARG 38 1HH1 ARG 38 -11.405 -2.936 15.704 309 HH12 ARG 38 2HH1 ARG 38 -10.852 -1.298 15.578 310 HH21 ARG 38 1HH2 ARG 38 -7.833 -2.129 13.987 311 HH22 ARG 38 2HH2 ARG 38 -8.815 -0.831 14.587 312 H ASP 39 H ASP 39 -11.147 -10.326 13.496 313 HA ASP 39 HA ASP 39 -13.991 -9.932 13.945 314 HB2 ASP 39 1HB ASP 39 -12.119 -12.267 14.231 315 HB3 ASP 39 2HB ASP 39 -13.698 -12.309 15.010 316 H GLY 40 H GLY 40 -11.058 -9.644 15.668 317 HA2 GLY 40 1HA GLY 40 -12.144 -9.896 18.304 318 HA3 GLY 40 2HA GLY 40 -10.575 -9.221 17.881 319 H ARG 41 H ARG 41 -13.387 -8.487 19.291 320 HA ARG 41 HA ARG 41 -13.905 -5.913 18.152 321 HB2 ARG 41 1HB ARG 41 -14.942 -7.294 20.624 322 HB3 ARG 41 2HB ARG 41 -15.467 -5.694 20.122 323 HG2 ARG 41 1HG ARG 41 -16.416 -6.545 18.114 324 HG3 ARG 41 2HG ARG 41 -15.691 -8.130 18.376 325 HD2 ARG 41 1HD ARG 41 -18.105 -8.055 18.909 326 HD3 ARG 41 2HD ARG 41 -17.101 -8.525 20.279 327 HE ARG 41 HE ARG 41 -17.524 -6.429 21.287 328 HH11 ARG 41 1HH1 ARG 41 -19.244 -6.864 18.258 329 HH12 ARG 41 2HH1 ARG 41 -20.427 -5.638 18.606 330 HH21 ARG 41 1HH2 ARG 41 -19.090 -4.816 21.747 331 HH22 ARG 41 2HH2 ARG 41 -20.366 -4.498 20.599 332 H PHE 42 H PHE 42 -11.836 -4.951 18.334 333 HA PHE 42 HA PHE 42 -11.668 -3.274 20.633 334 HB2 PHE 42 1HB PHE 42 -9.275 -3.834 21.180 335 HB3 PHE 42 2HB PHE 42 -10.436 -5.066 21.648 336 HD1 PHE 42 HD1 PHE 42 -7.684 -4.228 19.375 337 HD2 PHE 42 HD2 PHE 42 -10.440 -7.232 20.591 338 HE1 PHE 42 HE1 PHE 42 -6.365 -5.922 18.177 339 HE2 PHE 42 HE2 PHE 42 -9.124 -8.928 19.393 340 HZ PHE 42 HZ PHE 42 -7.085 -8.274 18.185 341 H GLU 43 H GLU 43 -11.172 -1.328 19.865 342 HA GLU 43 HA GLU 43 -9.957 -1.215 17.197 343 HB2 GLU 43 1HB GLU 43 -10.807 1.106 17.127 344 HB3 GLU 43 2HB GLU 43 -12.079 -0.079 17.392 345 HG2 GLU 43 1HG GLU 43 -12.013 0.445 19.803 346 HG3 GLU 43 2HG GLU 43 -10.819 1.698 19.466 347 H GLU 44 H GLU 44 -9.038 -0.885 20.375 348 HA GLU 44 HA GLU 44 -7.194 1.301 19.995 349 HB2 GLU 44 1HB GLU 44 -7.540 -0.581 22.331 350 HB3 GLU 44 2HB GLU 44 -6.526 0.856 22.323 351 HG2 GLU 44 1HG GLU 44 -8.537 2.225 21.895 352 HG3 GLU 44 2HG GLU 44 -9.518 0.769 22.038 353 H THR 45 H THR 45 -6.337 0.005 18.109 354 HA THR 45 HA THR 45 -3.801 -1.132 18.933 355 HB THR 45 HB THR 45 -5.746 -2.700 17.216 356 HG1 THR 45 HG1 THR 45 -5.336 -2.683 19.822 357 HG21 THR 45 3HG2 THR 45 -3.507 -2.905 16.297 358 HG22 THR 45 1HG2 THR 45 -3.965 -4.408 17.099 359 HG23 THR 45 2HG2 THR 45 -2.860 -3.285 17.892 360 H LYS 46 H LYS 46 -2.304 -0.172 17.715 361 HA LYS 46 HA LYS 46 -3.147 1.249 15.311 362 HB2 LYS 46 1HB LYS 46 -0.512 1.302 16.795 363 HB3 LYS 46 2HB LYS 46 -0.937 2.332 15.439 364 HG2 LYS 46 1HG LYS 46 -2.711 3.358 16.761 365 HG3 LYS 46 2HG LYS 46 -2.303 2.311 18.121 366 HD2 LYS 46 1HD LYS 46 -1.278 4.434 18.504 367 HD3 LYS 46 2HD LYS 46 -0.006 3.286 18.088 368 HE2 LYS 46 1HE LYS 46 0.475 5.274 16.896 369 HE3 LYS 46 2HE LYS 46 -0.177 4.135 15.718 370 HZ1 LYS 46 3HZ LYS 46 -1.103 6.374 15.468 371 HZ2 LYS 46 1HZ LYS 46 -1.720 6.298 17.046 372 HZ3 LYS 46 2HZ LYS 46 -2.310 5.247 15.855 373 H TYR 47 H TYR 47 -2.496 0.767 13.289 374 HA TYR 47 HA TYR 47 -0.831 -1.625 12.943 375 HB2 TYR 47 1HB TYR 47 -2.503 -0.181 10.872 376 HB3 TYR 47 2HB TYR 47 -1.724 -1.748 10.692 377 HD1 TYR 47 HD2 TYR 47 -2.468 -3.515 12.578 378 HD2 TYR 47 HD1 TYR 47 -4.757 -0.166 11.298 379 HE1 TYR 47 HE2 TYR 47 -4.519 -4.624 13.364 380 HE2 TYR 47 HE1 TYR 47 -6.813 -1.263 12.082 381 HH TYR 47 HH TYR 47 -7.626 -3.568 12.513 382 H PHE 48 H PHE 48 0.754 -1.564 11.149 383 HA PHE 48 HA PHE 48 1.842 1.134 10.704 384 HB2 PHE 48 1HB PHE 48 3.420 -1.326 11.492 385 HB3 PHE 48 2HB PHE 48 4.121 0.218 11.025 386 HD1 PHE 48 HD2 PHE 48 3.741 2.217 12.462 387 HD2 PHE 48 HD1 PHE 48 2.646 -1.710 13.681 388 HE1 PHE 48 HE2 PHE 48 3.630 2.980 14.799 389 HE2 PHE 48 HE1 PHE 48 2.530 -0.959 16.023 390 HZ PHE 48 HZ PHE 48 3.024 1.392 16.582 391 H ILE 49 H ILE 49 2.829 1.474 8.738 392 HA ILE 49 HA ILE 49 2.705 -0.759 6.818 393 HB ILE 49 HB ILE 49 0.917 0.822 6.325 394 HG12 ILE 49 1HG1 ILE 49 3.183 1.070 4.332 395 HG13 ILE 49 2HG1 ILE 49 2.081 -0.297 4.452 396 HG21 ILE 49 1HG2 ILE 49 1.392 3.136 5.676 397 HG22 ILE 49 2HG2 ILE 49 3.086 2.903 6.107 398 HG23 ILE 49 3HG2 ILE 49 1.839 2.814 7.351 399 HD11 ILE 49 3HD1 ILE 49 1.440 1.153 2.633 400 HD12 ILE 49 1HD1 ILE 49 1.345 2.529 3.732 401 HD13 ILE 49 2HD1 ILE 49 0.210 1.190 3.898 402 H ARG 50 H ARG 50 4.464 -1.114 5.605 403 HA ARG 50 HA ARG 50 6.486 0.952 5.257 404 HB2 ARG 50 1HB ARG 50 7.100 -0.276 7.355 405 HB3 ARG 50 2HB ARG 50 7.188 -1.757 6.408 406 HG2 ARG 50 1HG ARG 50 8.901 -0.539 4.973 407 HG3 ARG 50 2HG ARG 50 8.961 0.656 6.270 408 HD2 ARG 50 1HD ARG 50 10.726 -0.897 6.646 409 HD3 ARG 50 2HD ARG 50 9.477 -1.223 7.847 410 HE ARG 50 HE ARG 50 8.789 -2.979 6.019 411 HH11 ARG 50 1HH1 ARG 50 12.001 -2.164 7.173 412 HH12 ARG 50 2HH1 ARG 50 12.658 -3.741 6.817 413 HH21 ARG 50 1HH2 ARG 50 9.655 -5.042 5.562 414 HH22 ARG 50 2HH2 ARG 50 11.327 -5.367 5.876 415 H TYR 51 H TYR 51 6.847 0.922 3.095 416 HA TYR 51 HA TYR 51 6.719 -1.700 1.777 417 HB2 TYR 51 1HB TYR 51 5.984 -0.703 -0.189 418 HB3 TYR 51 2HB TYR 51 5.188 0.271 1.037 419 HD1 TYR 51 HD2 TYR 51 5.938 2.586 1.462 420 HD2 TYR 51 HD1 TYR 51 7.669 0.218 -1.622 421 HE1 TYR 51 HE2 TYR 51 6.893 4.614 0.439 422 HE2 TYR 51 HE1 TYR 51 8.620 2.234 -2.649 423 HH TYR 51 HH TYR 51 8.404 4.545 -2.709 424 H PHE 52 H PHE 52 8.352 -2.332 0.378 425 HA PHE 52 HA PHE 52 10.823 -0.735 0.527 426 HB2 PHE 52 1HB PHE 52 10.986 -2.880 1.752 427 HB3 PHE 52 2HB PHE 52 10.552 -3.743 0.281 428 HD1 PHE 52 HD1 PHE 52 12.895 -0.889 0.750 429 HD2 PHE 52 HD2 PHE 52 12.421 -4.999 -0.256 430 HE1 PHE 52 HE1 PHE 52 15.276 -1.009 0.144 431 HE2 PHE 52 HE2 PHE 52 14.801 -5.125 -0.866 432 HZ PHE 52 HZ PHE 52 16.231 -3.129 -0.667 433 H GLN 53 H GLN 53 11.619 -0.062 -1.364 434 HA GLN 53 HA GLN 53 10.524 -1.252 -3.824 435 HB2 GLN 53 1HB GLN 53 9.421 0.906 -3.220 436 HB3 GLN 53 2HB GLN 53 10.986 1.693 -3.328 437 HG2 GLN 53 1HG GLN 53 11.108 1.044 -5.707 438 HG3 GLN 53 2HG GLN 53 9.488 0.361 -5.570 439 HE21 GLN 53 2HE2 GLN 53 8.601 1.779 -7.062 440 HE22 GLN 53 1HE2 GLN 53 8.372 3.457 -6.723 441 HA PRO 54 HA PRO 54 15.110 -1.028 -4.247 442 HB2 PRO 54 1HB PRO 54 15.574 -3.597 -4.789 443 HB3 PRO 54 2HB PRO 54 15.296 -3.058 -3.127 444 HG2 PRO 54 1HG PRO 54 13.402 -4.393 -5.029 445 HG3 PRO 54 2HG PRO 54 13.646 -4.696 -3.299 446 HD2 PRO 54 1HD PRO 54 11.617 -3.136 -4.339 447 HD3 PRO 54 2HD PRO 54 12.245 -2.996 -2.687 448 H ASP 55 H ASP 55 12.456 -1.928 -6.169 449 HA ASP 55 HA ASP 55 14.016 -1.764 -8.639 450 HB2 ASP 55 1HB ASP 55 13.828 -4.153 -8.020 451 HB3 ASP 55 2HB ASP 55 12.079 -3.992 -7.957 452 H GLY 56 H GLY 56 13.074 0.121 -9.342 453 HA2 GLY 56 1HA GLY 56 11.062 0.431 -10.914 454 HA3 GLY 56 2HA GLY 56 10.128 0.190 -9.448 455 H ALA 57 H ALA 57 9.470 2.389 -10.528 456 HA ALA 57 HA ALA 57 10.834 4.475 -8.967 457 HB1 ALA 57 3HB ALA 57 10.548 6.054 -10.825 458 HB2 ALA 57 1HB ALA 57 9.900 4.755 -11.826 459 HB3 ALA 57 2HB ALA 57 11.578 4.698 -11.285 460 H GLY 58 H GLY 58 9.226 6.599 -9.290 461 HA2 GLY 58 1HA GLY 58 6.851 7.119 -9.646 462 HA3 GLY 58 2HA GLY 58 6.484 5.563 -8.923 463 H THR 59 H THR 59 5.043 6.888 -7.611 464 HA THR 59 HA THR 59 6.377 7.614 -5.122 465 HB THR 59 HB THR 59 4.393 9.486 -6.440 466 HG1 THR 59 HG1 THR 59 7.122 9.275 -6.643 467 HG21 THR 59 3HG2 THR 59 4.320 9.516 -3.988 468 HG22 THR 59 1HG2 THR 59 4.988 11.018 -4.626 469 HG23 THR 59 2HG2 THR 59 6.060 9.798 -3.938 470 H LEU 60 H LEU 60 5.250 6.890 -3.387 471 HA LEU 60 HA LEU 60 2.488 5.966 -3.857 472 HB2 LEU 60 1HB LEU 60 4.084 4.158 -3.384 473 HB3 LEU 60 2HB LEU 60 4.531 4.943 -1.883 474 HG LEU 60 HG LEU 60 2.248 4.598 -1.025 475 HD11 LEU 60 1HD1 LEU 60 0.726 3.100 -2.238 476 HD12 LEU 60 2HD1 LEU 60 1.826 3.112 -3.616 477 HD13 LEU 60 3HD1 LEU 60 1.021 4.600 -3.116 478 HD21 LEU 60 3HD2 LEU 60 2.417 2.177 -0.730 479 HD22 LEU 60 1HD2 LEU 60 3.986 2.963 -0.551 480 HD23 LEU 60 2HD2 LEU 60 3.597 2.101 -2.040 481 H LYS 61 H LYS 61 0.933 6.977 -2.776 482 HA LYS 61 HA LYS 61 1.653 8.505 -0.355 483 HB2 LYS 61 1HB LYS 61 -0.509 9.176 -2.361 484 HB3 LYS 61 2HB LYS 61 -0.054 10.128 -0.956 485 HG2 LYS 61 1HG LYS 61 2.078 10.644 -1.931 486 HG3 LYS 61 2HG LYS 61 1.757 9.567 -3.293 487 HD2 LYS 61 1HD LYS 61 -0.195 10.976 -3.882 488 HD3 LYS 61 2HD LYS 61 0.259 12.087 -2.590 489 HE2 LYS 61 1HE LYS 61 2.345 12.579 -3.678 490 HE3 LYS 61 2HE LYS 61 2.045 11.348 -4.900 491 HZ1 LYS 61 3HZ LYS 61 0.151 12.627 -5.681 492 HZ2 LYS 61 1HZ LYS 61 1.566 13.567 -5.732 493 HZ3 LYS 61 2HZ LYS 61 0.431 13.809 -4.496 494 H MET 62 H MET 62 0.047 8.629 1.281 495 HA MET 62 HA MET 62 -1.853 6.404 1.285 496 HB2 MET 62 1HB MET 62 -0.299 6.914 3.238 497 HB3 MET 62 2HB MET 62 -1.271 8.350 3.525 498 HG2 MET 62 1HG MET 62 -3.252 6.875 3.787 499 HG3 MET 62 2HG MET 62 -2.178 5.485 3.657 500 HE1 MET 62 3HE MET 62 0.410 6.654 5.224 501 HE2 MET 62 1HE MET 62 -0.193 5.006 5.398 502 HE3 MET 62 2HE MET 62 0.107 5.990 6.830 503 H SER 63 H SER 63 -4.074 6.904 2.198 504 HA SER 63 HA SER 63 -5.476 8.637 0.567 505 HB2 SER 63 1HB SER 63 -7.319 8.341 2.318 506 HB3 SER 63 2HB SER 63 -6.656 6.868 1.607 507 HG SER 63 HG SER 63 -5.949 8.011 4.122 508 H ASP 64 H ASP 64 -3.884 9.292 3.562 509 HA ASP 64 HA ASP 64 -5.316 11.753 4.069 510 HB2 ASP 64 1HB ASP 64 -3.032 10.375 5.491 511 HB3 ASP 64 2HB ASP 64 -3.736 11.898 6.025 512 H GLY 65 H GLY 65 -3.067 11.016 1.884 513 HA2 GLY 65 1HA GLY 65 -1.925 12.520 0.516 514 HA3 GLY 65 2HA GLY 65 -2.136 13.765 1.736 515 H THR 66 H THR 66 -1.065 11.129 3.331 516 HA THR 66 HA THR 66 1.540 12.192 3.753 517 HB THR 66 HB THR 66 0.470 9.482 4.562 518 HG1 THR 66 HG1 THR 66 0.326 12.013 5.878 519 HG21 THR 66 3HG2 THR 66 2.666 11.192 5.741 520 HG22 THR 66 1HG2 THR 66 2.897 9.710 4.814 521 HG23 THR 66 2HG2 THR 66 2.102 9.651 6.386 522 H VAL 67 H VAL 67 3.206 11.950 2.417 523 HA VAL 67 HA VAL 67 3.283 9.860 0.440 524 HB VAL 67 HB VAL 67 5.434 11.847 1.213 525 HG11 VAL 67 1HG1 VAL 67 5.146 10.113 -1.239 526 HG12 VAL 67 2HG1 VAL 67 6.347 9.925 0.039 527 HG13 VAL 67 3HG1 VAL 67 6.378 11.349 -0.998 528 HG21 VAL 67 3HG2 VAL 67 3.346 11.959 -0.963 529 HG22 VAL 67 1HG2 VAL 67 4.684 13.092 -0.782 530 HG23 VAL 67 2HG2 VAL 67 3.439 12.994 0.462 531 H LEU 68 H LEU 68 4.327 7.958 0.560 532 HA LEU 68 HA LEU 68 5.474 7.274 3.162 533 HB2 LEU 68 1HB LEU 68 4.607 5.487 0.887 534 HB3 LEU 68 2HB LEU 68 5.116 4.954 2.478 535 HG LEU 68 HG LEU 68 2.684 6.666 1.962 536 HD11 LEU 68 1HD1 LEU 68 2.883 3.705 2.489 537 HD12 LEU 68 2HD1 LEU 68 2.390 4.465 0.974 538 HD13 LEU 68 3HD1 LEU 68 1.390 4.642 2.418 539 HD21 LEU 68 3HD2 LEU 68 2.106 6.101 4.264 540 HD22 LEU 68 1HD2 LEU 68 3.654 6.944 4.188 541 HD23 LEU 68 2HD2 LEU 68 3.611 5.196 4.429 542 H LEU 69 H LEU 69 7.456 6.176 3.346 543 HA LEU 69 HA LEU 69 9.225 6.421 1.008 544 HB2 LEU 69 1HB LEU 69 9.864 6.954 3.915 545 HB3 LEU 69 2HB LEU 69 11.069 6.873 2.644 546 HG LEU 69 HG LEU 69 8.826 8.886 2.796 547 HD11 LEU 69 1HD1 LEU 69 11.781 9.177 3.331 548 HD12 LEU 69 2HD1 LEU 69 10.495 9.240 4.536 549 HD13 LEU 69 3HD1 LEU 69 10.605 10.491 3.299 550 HD21 LEU 69 3HD2 LEU 69 9.480 8.373 0.504 551 HD22 LEU 69 1HD2 LEU 69 11.168 8.671 0.909 552 HD23 LEU 69 2HD2 LEU 69 10.003 9.994 0.965 553 HA PRO 70 HA PRO 70 10.093 2.147 1.445 554 HB2 PRO 70 1HB PRO 70 12.888 2.681 0.712 555 HB3 PRO 70 2HB PRO 70 11.661 1.745 -0.147 556 HG2 PRO 70 1HG PRO 70 12.503 4.135 -1.044 557 HG3 PRO 70 2HG PRO 70 10.824 3.600 -1.240 558 HD2 PRO 70 1HD PRO 70 11.983 5.509 0.755 559 HD3 PRO 70 2HD PRO 70 10.450 5.608 -0.137 560 H ASN 71 H ASN 71 10.451 0.993 3.180 561 HA ASN 71 HA ASN 71 11.354 0.102 5.045 562 HB2 ASN 71 1HB ASN 71 13.765 1.427 3.887 563 HB3 ASN 71 2HB ASN 71 13.846 0.777 5.522 564 HD21 ASN 71 2HD2 ASN 71 15.342 -0.779 4.882 565 HD22 ASN 71 1HD2 ASN 71 14.870 -2.168 3.969 566 H ASP 72 H ASP 72 10.336 3.074 4.900 567 HA ASP 72 HA ASP 72 11.127 3.692 7.666 568 HB2 ASP 72 1HB ASP 72 11.303 5.496 5.857 569 HB3 ASP 72 2HB ASP 72 9.541 5.494 5.835 570 H LEU 73 H LEU 73 9.659 3.367 9.273 571 HA LEU 73 HA LEU 73 7.207 2.048 8.442 572 HB2 LEU 73 1HB LEU 73 8.790 1.091 10.155 573 HB3 LEU 73 2HB LEU 73 8.271 2.367 11.239 574 HG LEU 73 HG LEU 73 5.976 1.506 11.182 575 HD11 LEU 73 1HD1 LEU 73 5.978 0.588 8.929 576 HD12 LEU 73 2HD1 LEU 73 5.500 -0.639 10.102 577 HD13 LEU 73 3HD1 LEU 73 7.127 -0.655 9.424 578 HD21 LEU 73 3HD2 LEU 73 7.463 0.657 12.908 579 HD22 LEU 73 1HD2 LEU 73 8.041 -0.600 11.817 580 HD23 LEU 73 2HD2 LEU 73 6.367 -0.615 12.367 581 H TYR 74 H TYR 74 5.478 3.234 8.122 582 HA TYR 74 HA TYR 74 4.959 5.533 9.882 583 HB2 TYR 74 1HB TYR 74 3.937 4.853 7.120 584 HB3 TYR 74 2HB TYR 74 3.271 6.157 8.097 585 HD1 TYR 74 HD1 TYR 74 4.743 8.083 8.732 586 HD2 TYR 74 HD2 TYR 74 5.950 5.151 5.892 587 HE1 TYR 74 HE1 TYR 74 6.463 9.619 7.885 588 HE2 TYR 74 HE2 TYR 74 7.675 6.682 5.041 589 HH TYR 74 HH TYR 74 8.653 9.427 6.685 590 HA PRO 75 HA PRO 75 1.548 3.266 11.578 591 HB2 PRO 75 1HB PRO 75 0.128 5.258 12.688 592 HB3 PRO 75 2HB PRO 75 1.705 4.769 13.320 593 HG2 PRO 75 1HG PRO 75 0.990 7.102 11.596 594 HG3 PRO 75 2HG PRO 75 2.143 7.012 12.939 595 HD2 PRO 75 1HD PRO 75 2.828 6.906 10.263 596 HD3 PRO 75 2HD PRO 75 3.827 6.275 11.587 597 H LEU 76 H LEU 76 -0.551 2.669 11.142 598 HA LEU 76 HA LEU 76 -1.834 3.974 8.850 599 HB2 LEU 76 1HB LEU 76 -2.281 1.287 10.155 600 HB3 LEU 76 2HB LEU 76 -3.308 1.920 8.883 601 HG LEU 76 HG LEU 76 -0.354 1.382 8.597 602 HD11 LEU 76 1HD1 LEU 76 -2.724 -0.201 7.610 603 HD12 LEU 76 2HD1 LEU 76 -1.616 -0.687 8.893 604 HD13 LEU 76 3HD1 LEU 76 -1.031 -0.529 7.238 605 HD21 LEU 76 3HD2 LEU 76 -2.456 2.090 6.552 606 HD22 LEU 76 1HD2 LEU 76 -0.766 1.718 6.218 607 HD23 LEU 76 2HD2 LEU 76 -1.183 3.163 7.139 608 HA PRO 77 HA PRO 77 -4.597 5.796 11.824 609 HB2 PRO 77 1HB PRO 77 -5.917 7.398 10.131 610 HB3 PRO 77 2HB PRO 77 -4.233 7.703 10.574 611 HG2 PRO 77 1HG PRO 77 -5.345 6.454 8.093 612 HG3 PRO 77 2HG PRO 77 -4.014 7.612 8.264 613 HD2 PRO 77 1HD PRO 77 -3.691 4.895 7.949 614 HD3 PRO 77 2HD PRO 77 -2.493 5.965 8.700 615 H GLY 78 H GLY 78 -5.370 3.397 9.737 616 HA2 GLY 78 1HA GLY 78 -7.889 2.888 10.898 617 HA3 GLY 78 2HA GLY 78 -8.121 3.610 9.313 618 H GLU 79 H GLU 79 -9.183 1.287 9.417 619 HA GLU 79 HA GLU 79 -7.246 -0.746 8.547 620 HB2 GLU 79 1HB GLU 79 -10.205 -1.098 9.014 621 HB3 GLU 79 2HB GLU 79 -8.976 -2.350 8.906 622 HG2 GLU 79 1HG GLU 79 -7.964 -1.456 10.982 623 HG3 GLU 79 2HG GLU 79 -9.322 -0.338 11.108 624 H THR 80 H THR 80 -9.674 1.400 7.452 625 HA THR 80 HA THR 80 -10.026 -0.028 4.913 626 HB THR 80 HB THR 80 -11.933 1.652 4.644 627 HG1 THR 80 HG1 THR 80 -11.644 1.942 7.466 628 HG21 THR 80 3HG2 THR 80 -13.430 0.381 6.128 629 HG22 THR 80 1HG2 THR 80 -12.025 -0.311 6.939 630 HG23 THR 80 2HG2 THR 80 -12.332 -0.676 5.240 631 H PHE 81 H PHE 81 -7.623 1.400 5.421 632 HA PHE 81 HA PHE 81 -7.727 4.043 4.351 633 HB2 PHE 81 1HB PHE 81 -5.251 3.902 4.385 634 HB3 PHE 81 2HB PHE 81 -5.978 3.438 5.922 635 HD1 PHE 81 HD2 PHE 81 -6.056 1.063 6.579 636 HD2 PHE 81 HD1 PHE 81 -3.978 2.365 3.103 637 HE1 PHE 81 HE2 PHE 81 -4.840 -1.069 6.517 638 HE2 PHE 81 HE1 PHE 81 -2.756 0.233 3.034 639 HZ PHE 81 HZ PHE 81 -3.184 -1.488 4.744 640 H ARG 82 H ARG 82 -6.863 4.792 2.382 641 HA ARG 82 HA ARG 82 -6.722 2.759 0.254 642 HB2 ARG 82 1HB ARG 82 -7.777 5.589 0.001 643 HB3 ARG 82 2HB ARG 82 -7.749 4.367 -1.264 644 HG2 ARG 82 1HG ARG 82 -9.339 3.015 -0.059 645 HG3 ARG 82 2HG ARG 82 -9.304 4.136 1.301 646 HD2 ARG 82 1HD ARG 82 -11.269 4.635 0.096 647 HD3 ARG 82 2HD ARG 82 -10.118 5.906 -0.304 648 HE ARG 82 HE ARG 82 -9.781 4.062 -2.292 649 HH11 ARG 82 1HH1 ARG 82 -12.504 5.857 -0.994 650 HH12 ARG 82 2HH1 ARG 82 -13.398 5.833 -2.487 651 HH21 ARG 82 1HH2 ARG 82 -10.972 4.042 -4.274 652 HH22 ARG 82 2HH2 ARG 82 -12.525 4.830 -4.345 653 H LEU 83 H LEU 83 -5.007 2.888 -1.122 654 HA LEU 83 HA LEU 83 -2.984 4.919 -0.446 655 HB2 LEU 83 1HB LEU 83 -2.678 2.251 -1.833 656 HB3 LEU 83 2HB LEU 83 -1.369 3.353 -1.452 657 HG LEU 83 HG LEU 83 -3.118 1.969 0.585 658 HD11 LEU 83 1HD1 LEU 83 -1.683 0.387 -0.581 659 HD12 LEU 83 2HD1 LEU 83 -1.120 0.636 1.072 660 HD13 LEU 83 3HD1 LEU 83 -0.281 1.411 -0.272 661 HD21 LEU 83 3HD2 LEU 83 -0.655 3.683 0.899 662 HD22 LEU 83 1HD2 LEU 83 -1.440 2.778 2.192 663 HD23 LEU 83 2HD2 LEU 83 -2.295 4.100 1.397 664 H TYR 84 H TYR 84 -2.093 6.213 -1.994 665 HA TYR 84 HA TYR 84 -3.279 6.040 -4.689 666 HB2 TYR 84 1HB TYR 84 -2.070 8.441 -3.298 667 HB3 TYR 84 2HB TYR 84 -2.737 8.435 -4.923 668 HD1 TYR 84 HD2 TYR 84 -5.274 7.567 -5.019 669 HD2 TYR 84 HD1 TYR 84 -3.368 9.244 -1.610 670 HE1 TYR 84 HE2 TYR 84 -7.472 8.204 -4.112 671 HE2 TYR 84 HE1 TYR 84 -5.552 9.892 -0.697 672 HH TYR 84 HH TYR 84 -8.476 8.703 -1.832 673 H TYR 85 H TYR 85 -1.823 4.808 -5.802 674 HA TYR 85 HA TYR 85 0.995 5.544 -5.585 675 HB2 TYR 85 1HB TYR 85 0.548 3.156 -5.483 676 HB3 TYR 85 2HB TYR 85 -0.321 3.226 -7.018 677 HD1 TYR 85 HD2 TYR 85 3.010 4.103 -5.587 678 HD2 TYR 85 HD1 TYR 85 0.828 2.680 -8.952 679 HE1 TYR 85 HE2 TYR 85 5.114 3.788 -6.812 680 HE2 TYR 85 HE1 TYR 85 2.929 2.372 -10.187 681 HH TYR 85 HH TYR 85 6.012 2.616 -8.670 682 H THR 86 H THR 86 2.006 6.734 -7.075 683 HA THR 86 HA THR 86 0.504 7.392 -9.518 684 HB THR 86 HB THR 86 2.796 8.961 -8.327 685 HG1 THR 86 HG1 THR 86 0.634 8.656 -7.105 686 HG21 THR 86 3HG2 THR 86 0.625 9.735 -10.290 687 HG22 THR 86 1HG2 THR 86 2.301 9.377 -10.710 688 HG23 THR 86 2HG2 THR 86 1.924 10.777 -9.709 689 H SER 87 H SER 87 1.246 6.718 -11.416 690 HA SER 87 HA SER 87 3.881 5.434 -11.526 691 HB2 SER 87 1HB SER 87 1.628 5.301 -13.543 692 HB3 SER 87 2HB SER 87 3.052 4.264 -13.473 693 HG SER 87 HG SER 87 0.766 4.279 -11.861 694 H ALA 88 H ALA 88 5.517 6.201 -12.782 695 HA ALA 88 HA ALA 88 4.915 8.542 -14.479 696 HB1 ALA 88 3HB ALA 88 7.424 8.046 -12.881 697 HB2 ALA 88 1HB ALA 88 6.117 9.143 -12.432 698 HB3 ALA 88 2HB ALA 88 7.078 9.461 -13.876 699 H SER 89 H SER 89 5.493 5.453 -14.880 700 HA SER 89 HA SER 89 6.728 5.761 -17.426 701 HB2 SER 89 1HB SER 89 8.724 5.829 -15.899 702 HB3 SER 89 2HB SER 89 8.306 4.204 -15.355 703 HG SER 89 HG SER 89 9.907 4.447 -17.141 704 H THR 90 H THR 90 7.492 3.186 -17.968 705 HA THR 90 HA THR 90 5.059 1.643 -17.363 706 HB THR 90 HB THR 90 4.841 2.789 -19.549 707 HG1 THR 90 HG1 THR 90 5.125 0.023 -20.091 708 HG21 THR 90 3HG2 THR 90 7.218 2.783 -20.188 709 HG22 THR 90 1HG2 THR 90 6.202 2.076 -21.446 710 HG23 THR 90 2HG2 THR 90 7.153 1.033 -20.389 711 H ASP 91 H ASP 91 8.238 1.528 -16.891 712 HA ASP 91 HA ASP 91 8.820 -1.051 -18.067 713 HB2 ASP 91 1HB ASP 91 10.424 1.020 -17.471 714 HB3 ASP 91 2HB ASP 91 10.638 0.065 -16.007 715 H GLN 92 H GLN 92 10.099 -2.591 -16.389 716 HA GLN 92 HA GLN 92 7.951 -3.659 -14.800 717 HB2 GLN 92 1HB GLN 92 9.373 -5.132 -16.095 718 HB3 GLN 92 2HB GLN 92 10.796 -4.568 -15.240 719 HG2 GLN 92 1HG GLN 92 10.160 -6.758 -14.478 720 HG3 GLN 92 2HG GLN 92 9.967 -5.583 -13.181 721 HE21 GLN 92 2HE2 GLN 92 7.963 -5.224 -12.337 722 HE22 GLN 92 1HE2 GLN 92 6.567 -6.152 -12.761 723 H GLN 93 H GLN 93 7.592 -3.425 -12.699 724 HA GLN 93 HA GLN 93 9.777 -2.455 -10.978 725 HB2 GLN 93 1HB GLN 93 8.423 -0.555 -11.377 726 HB3 GLN 93 2HB GLN 93 6.941 -1.480 -11.195 727 HG2 GLN 93 1HG GLN 93 7.402 -1.751 -8.814 728 HG3 GLN 93 2HG GLN 93 8.882 -0.807 -8.997 729 HE21 GLN 93 2HE2 GLN 93 6.061 -0.051 -10.819 730 HE22 GLN 93 1HE2 GLN 93 5.643 1.401 -9.978 731 H THR 94 H THR 94 9.772 -3.168 -8.845 732 HA THR 94 HA THR 94 7.803 -5.254 -8.143 733 HB THR 94 HB THR 94 10.675 -5.427 -7.268 734 HG1 THR 94 HG1 THR 94 10.684 -5.331 -9.575 735 HG21 THR 94 3HG2 THR 94 10.142 -7.817 -7.131 736 HG22 THR 94 1HG2 THR 94 8.516 -7.489 -7.733 737 HG23 THR 94 2HG2 THR 94 9.023 -6.854 -6.166 738 H VAL 95 H VAL 95 6.704 -4.526 -6.391 739 HA VAL 95 HA VAL 95 8.197 -2.974 -4.370 740 HB VAL 95 HB VAL 95 5.254 -2.709 -5.017 741 HG11 VAL 95 1HG1 VAL 95 5.351 -0.741 -3.551 742 HG12 VAL 95 2HG1 VAL 95 7.032 -1.123 -3.167 743 HG13 VAL 95 3HG1 VAL 95 5.742 -2.229 -2.690 744 HG21 VAL 95 3HG2 VAL 95 6.587 -1.816 -6.831 745 HG22 VAL 95 1HG2 VAL 95 7.550 -0.875 -5.691 746 HG23 VAL 95 2HG2 VAL 95 5.841 -0.502 -5.922 747 H ASP 96 H ASP 96 8.291 -3.840 -2.403 748 HA ASP 96 HA ASP 96 6.381 -5.956 -1.679 749 HB2 ASP 96 1HB ASP 96 9.026 -5.141 -0.455 750 HB3 ASP 96 2HB ASP 96 7.949 -6.324 0.273 751 H VAL 97 H VAL 97 4.608 -5.197 -0.660 752 HA VAL 97 HA VAL 97 4.929 -2.856 1.093 753 HB VAL 97 HB VAL 97 2.373 -4.038 -0.019 754 HG11 VAL 97 1HG1 VAL 97 1.982 -2.897 2.073 755 HG12 VAL 97 2HG1 VAL 97 1.364 -1.917 0.742 756 HG13 VAL 97 3HG1 VAL 97 2.892 -1.494 1.513 757 HG21 VAL 97 3HG2 VAL 97 3.924 -1.594 -0.875 758 HG22 VAL 97 1HG2 VAL 97 2.328 -2.058 -1.473 759 HG23 VAL 97 2HG2 VAL 97 3.724 -3.087 -1.797 760 H TYR 98 H TYR 98 5.104 -3.257 3.181 761 HA TYR 98 HA TYR 98 4.031 -5.769 4.260 762 HB2 TYR 98 1HB TYR 98 6.049 -3.843 5.434 763 HB3 TYR 98 2HB TYR 98 5.548 -5.361 6.161 764 HD1 TYR 98 HD1 TYR 98 7.547 -3.812 3.506 765 HD2 TYR 98 HD2 TYR 98 6.351 -7.468 5.299 766 HE1 TYR 98 HE1 TYR 98 9.376 -4.975 2.339 767 HE2 TYR 98 HE2 TYR 98 8.160 -8.651 4.155 768 HH TYR 98 HH TYR 98 9.552 -8.311 2.049 769 H PHE 99 H PHE 99 2.199 -5.678 5.407 770 HA PHE 99 HA PHE 99 1.600 -3.203 6.889 771 HB2 PHE 99 1HB PHE 99 -0.225 -5.481 6.080 772 HB3 PHE 99 2HB PHE 99 -0.718 -4.100 7.055 773 HD1 PHE 99 HD2 PHE 99 -0.065 -1.757 5.929 774 HD2 PHE 99 HD1 PHE 99 -0.751 -5.402 3.845 775 HE1 PHE 99 HE2 PHE 99 -0.592 -0.488 3.890 776 HE2 PHE 99 HE1 PHE 99 -1.278 -4.138 1.801 777 HZ PHE 99 HZ PHE 99 -1.201 -1.678 1.821 778 H GLN 100 H GLN 100 2.182 -3.285 8.957 779 HA GLN 100 HA GLN 100 2.406 -5.939 10.230 780 HB2 GLN 100 1HB GLN 100 4.533 -4.691 9.786 781 HB3 GLN 100 2HB GLN 100 3.966 -3.426 10.861 782 HG2 GLN 100 1HG GLN 100 3.908 -5.042 12.706 783 HG3 GLN 100 2HG GLN 100 4.539 -6.279 11.619 784 HE21 GLN 100 2HE2 GLN 100 6.673 -6.092 10.870 785 HE22 GLN 100 1HE2 GLN 100 7.844 -5.111 11.681 786 H ASP 101 H ASP 101 1.636 -6.198 12.346 787 HA ASP 101 HA ASP 101 0.167 -3.896 13.453 788 HB2 ASP 101 1HB ASP 101 -1.562 -5.254 14.051 789 HB3 ASP 101 2HB ASP 101 -0.930 -6.274 12.763 790 H SER 102 H SER 102 -0.153 -4.421 16.003 791 HA SER 102 HA SER 102 2.460 -4.026 17.068 792 HB2 SER 102 1HB SER 102 1.152 -4.012 19.280 793 HB3 SER 102 2HB SER 102 0.765 -2.769 18.091 794 HG SER 102 HG SER 102 -0.690 -5.105 17.846 795 H PHE 103 H PHE 103 0.507 -6.839 16.642 796 HA PHE 103 HA PHE 103 1.763 -8.371 18.738 797 HB2 PHE 103 1HB PHE 103 -0.502 -8.928 18.043 798 HB3 PHE 103 2HB PHE 103 0.039 -9.204 16.392 799 HD1 PHE 103 HD1 PHE 103 0.534 -10.435 19.869 800 HD2 PHE 103 HD2 PHE 103 0.617 -11.340 15.712 801 HE1 PHE 103 HE1 PHE 103 0.905 -12.810 20.397 802 HE2 PHE 103 HE2 PHE 103 0.988 -13.718 16.230 803 HZ PHE 103 HZ PHE 103 1.134 -14.454 18.576 804 H GLY 104 H GLY 104 2.506 -7.501 15.518 805 HA2 GLY 104 1HA GLY 104 4.745 -7.813 14.705 806 HA3 GLY 104 2HA GLY 104 4.820 -9.326 15.598 807 H GLN 105 H GLN 105 1.830 -9.193 14.300 808 HA GLN 105 HA GLN 105 2.463 -11.055 12.196 809 HB2 GLN 105 1HB GLN 105 0.432 -11.387 13.493 810 HB3 GLN 105 2HB GLN 105 -0.141 -9.782 13.064 811 HG2 GLN 105 1HG GLN 105 -0.246 -10.499 10.700 812 HG3 GLN 105 2HG GLN 105 0.224 -12.122 11.202 813 HE21 GLN 105 2HE2 GLN 105 -1.879 -10.064 13.080 814 HE22 GLN 105 1HE2 GLN 105 -3.311 -10.995 12.850 815 H LEU 106 H LEU 106 3.190 -10.355 10.285 816 HA LEU 106 HA LEU 106 2.111 -7.801 9.326 817 HB2 LEU 106 1HB LEU 106 4.165 -7.265 8.279 818 HB3 LEU 106 2HB LEU 106 4.536 -7.739 9.922 819 HG LEU 106 HG LEU 106 5.013 -10.085 8.766 820 HD11 LEU 106 1HD1 LEU 106 6.126 -9.663 6.569 821 HD12 LEU 106 2HD1 LEU 106 5.336 -8.084 6.561 822 HD13 LEU 106 3HD1 LEU 106 4.365 -9.550 6.553 823 HD21 LEU 106 3HD2 LEU 106 7.359 -9.438 8.606 824 HD22 LEU 106 1HD2 LEU 106 6.617 -8.767 10.060 825 HD23 LEU 106 2HD2 LEU 106 6.901 -7.738 8.656 826 H GLN 107 H GLN 107 1.329 -7.682 7.332 827 HA GLN 107 HA GLN 107 1.200 -10.189 5.799 828 HB2 GLN 107 1HB GLN 107 -0.636 -7.783 5.750 829 HB3 GLN 107 2HB GLN 107 -0.826 -9.227 4.766 830 HG2 GLN 107 1HG GLN 107 -0.849 -9.246 7.770 831 HG3 GLN 107 2HG GLN 107 -2.298 -9.106 6.776 832 HE21 GLN 107 2HE2 GLN 107 -2.953 -10.871 5.540 833 HE22 GLN 107 1HE2 GLN 107 -2.395 -12.478 5.856 834 H GLN 108 H GLN 108 2.662 -10.178 4.257 835 HA GLN 108 HA GLN 108 3.465 -7.636 3.082 836 HB2 GLN 108 1HB GLN 108 5.382 -8.848 2.153 837 HB3 GLN 108 2HB GLN 108 5.281 -9.030 3.897 838 HG2 GLN 108 1HG GLN 108 4.379 -11.260 3.642 839 HG3 GLN 108 2HG GLN 108 4.369 -11.077 1.888 840 HE21 GLN 108 2HE2 GLN 108 5.746 -12.764 1.503 841 HE22 GLN 108 1HE2 GLN 108 7.427 -12.714 1.895 842 H LEU 109 H LEU 109 2.519 -6.992 1.332 843 HA LEU 109 HA LEU 109 1.458 -8.994 -0.537 844 HB2 LEU 109 1HB LEU 109 0.828 -6.045 -0.360 845 HB3 LEU 109 2HB LEU 109 0.053 -7.207 -1.420 846 HG LEU 109 HG LEU 109 -0.127 -7.173 1.597 847 HD11 LEU 109 1HD1 LEU 109 -1.369 -5.369 0.486 848 HD12 LEU 109 2HD1 LEU 109 -2.440 -6.544 1.246 849 HD13 LEU 109 3HD1 LEU 109 -2.206 -6.565 -0.500 850 HD21 LEU 109 3HD2 LEU 109 -1.455 -8.981 -0.421 851 HD22 LEU 109 1HD2 LEU 109 -1.807 -8.938 1.308 852 HD23 LEU 109 2HD2 LEU 109 -0.215 -9.450 0.742 853 H THR 110 H THR 110 2.587 -9.349 -2.316 854 HA THR 110 HA THR 110 4.710 -7.487 -3.037 855 HB THR 110 HB THR 110 4.117 -10.209 -4.213 856 HG1 THR 110 HG1 THR 110 4.889 -9.687 -1.779 857 HG21 THR 110 3HG2 THR 110 5.543 -8.748 -5.596 858 HG22 THR 110 1HG2 THR 110 6.440 -10.127 -4.958 859 HG23 THR 110 2HG2 THR 110 6.636 -8.534 -4.227 860 H PHE 111 H PHE 111 4.277 -5.963 -4.476 861 HA PHE 111 HA PHE 111 2.164 -6.474 -6.456 862 HB2 PHE 111 1HB PHE 111 3.158 -3.884 -5.270 863 HB3 PHE 111 2HB PHE 111 2.057 -3.964 -6.638 864 HD1 PHE 111 HD2 PHE 111 -0.172 -5.142 -6.294 865 HD2 PHE 111 HD1 PHE 111 2.367 -3.946 -3.096 866 HE1 PHE 111 HE2 PHE 111 -2.081 -5.256 -4.748 867 HE2 PHE 111 HE1 PHE 111 0.462 -4.057 -1.542 868 HZ PHE 111 HZ PHE 111 -1.765 -4.711 -2.367 869 H SER 112 H SER 112 2.888 -6.898 -8.409 870 HA SER 112 HA SER 112 5.383 -5.718 -9.352 871 HB2 SER 112 1HB SER 112 4.883 -8.106 -9.850 872 HB3 SER 112 2HB SER 112 3.463 -7.599 -10.761 873 HG SER 112 HG SER 112 5.343 -8.000 -12.065 874 H PHE 113 H PHE 113 5.212 -3.691 -10.028 875 HA PHE 113 HA PHE 113 2.659 -2.816 -11.187 876 HB2 PHE 113 1HB PHE 113 4.796 -1.333 -9.690 877 HB3 PHE 113 2HB PHE 113 3.637 -0.482 -10.701 878 HD1 PHE 113 HD2 PHE 113 1.110 -1.615 -10.220 879 HD2 PHE 113 HD1 PHE 113 4.315 -1.098 -7.470 880 HE1 PHE 113 HE2 PHE 113 -0.501 -1.573 -8.361 881 HE2 PHE 113 HE1 PHE 113 2.710 -1.054 -5.605 882 HZ PHE 113 HZ PHE 113 0.297 -1.290 -6.051 883 H ASN 114 H ASN 114 2.764 -1.131 -12.808 884 HA ASN 114 HA ASN 114 4.900 -1.664 -14.741 885 HB2 ASN 114 1HB ASN 114 2.529 -2.099 -15.401 886 HB3 ASN 114 2HB ASN 114 2.179 -0.393 -15.158 887 HD21 ASN 114 2HD2 ASN 114 2.899 1.097 -16.657 888 HD22 ASN 114 1HD2 ASN 114 3.512 0.632 -18.209 889 H ASN 115 H ASN 115 6.409 -0.245 -13.719 890 HA ASN 115 HA ASN 115 6.503 2.383 -14.641 891 HB2 ASN 115 1HB ASN 115 4.675 2.888 -13.119 892 HB3 ASN 115 2HB ASN 115 5.561 2.177 -11.773 893 HD21 ASN 115 2HD2 ASN 115 5.451 4.089 -10.613 894 HD22 ASN 115 1HD2 ASN 115 6.449 5.447 -11.006 895 H ASP 116 H ASP 116 8.647 2.072 -14.988 896 HA ASP 116 HA ASP 116 10.367 2.497 -12.717 897 HB2 ASP 116 1HB ASP 116 10.462 0.107 -12.650 898 HB3 ASP 116 2HB ASP 116 10.610 -0.004 -14.401 899 H SER 117 H SER 117 12.464 3.229 -13.346 900 HA SER 117 HA SER 117 13.904 4.445 -14.585 901 HB2 SER 117 1HB SER 117 12.631 3.067 -16.960 902 HB3 SER 117 2HB SER 117 14.169 3.929 -16.961 903 HG SER 117 HG SER 117 13.574 1.632 -15.378 904 H SER 118 H SER 118 13.069 6.417 -14.046 905 HA SER 118 HA SER 118 11.128 7.613 -15.901 906 HB2 SER 118 1HB SER 118 12.095 8.644 -13.219 907 HB3 SER 118 2HB SER 118 10.778 9.311 -14.186 908 HG SER 118 HG SER 118 10.171 6.810 -13.905 909 H LYS 119 H LYS 119 11.625 9.523 -16.985 910 HA LYS 119 HA LYS 119 14.427 9.873 -17.534 911 HB2 LYS 119 1HB LYS 119 11.994 11.352 -18.538 912 HB3 LYS 119 2HB LYS 119 13.635 11.671 -19.085 913 HG2 LYS 119 1HG LYS 119 13.764 9.292 -19.833 914 HG3 LYS 119 2HG LYS 119 12.046 9.143 -19.446 915 HD2 LYS 119 1HD LYS 119 11.504 10.889 -21.028 916 HD3 LYS 119 2HD LYS 119 13.215 11.160 -21.360 917 HE2 LYS 119 1HE LYS 119 13.335 8.772 -22.135 918 HE3 LYS 119 2HE LYS 119 11.574 8.724 -22.014 919 HZ1 LYS 119 3HZ LYS 119 11.449 10.541 -23.605 920 HZ2 LYS 119 1HZ LYS 119 12.299 9.226 -24.265 921 HZ3 LYS 119 2HZ LYS 119 13.138 10.591 -23.709 922 H GLU 120 H GLU 120 15.703 11.002 -16.233 923 HA GLU 120 HA GLU 120 14.624 13.213 -14.686 924 HB2 GLU 120 1HB GLU 120 16.329 11.495 -13.830 925 HB3 GLU 120 2HB GLU 120 17.511 12.352 -14.809 926 HG2 GLU 120 1HG GLU 120 17.142 14.380 -13.556 927 HG3 GLU 120 2HG GLU 120 15.851 13.609 -12.635 928 H GLU 121 H GLU 121 14.193 13.895 -17.128 929 HA GLU 121 HA GLU 121 16.424 15.274 -18.365 930 HB2 GLU 121 1HB GLU 121 14.573 14.000 -19.587 931 HB3 GLU 121 2HB GLU 121 13.517 15.345 -19.187 932 HG2 GLU 121 1HG GLU 121 14.903 16.860 -20.463 933 HG3 GLU 121 2HG GLU 121 16.054 15.565 -20.795 934 H GLU 122 H GLU 122 15.196 15.992 -15.711 935 HA GLU 122 HA GLU 122 14.130 18.651 -16.091 936 HB2 GLU 122 1HB GLU 122 14.927 17.140 -13.593 937 HB3 GLU 122 2HB GLU 122 14.134 18.708 -13.608 938 HG2 GLU 122 1HG GLU 122 12.978 16.181 -14.750 939 HG3 GLU 122 2HG GLU 122 12.599 16.843 -13.161 940 H LEU 123 H LEU 123 15.179 20.338 -14.487 941 HA LEU 123 HA LEU 123 17.788 20.918 -15.398 942 HB2 LEU 123 1HB LEU 123 16.309 21.978 -12.987 943 HB3 LEU 123 2HB LEU 123 17.787 22.661 -13.638 944 HG LEU 123 HG LEU 123 15.141 22.529 -15.091 945 HD11 LEU 123 1HD1 LEU 123 15.091 24.098 -13.232 946 HD12 LEU 123 2HD1 LEU 123 15.110 24.958 -14.772 947 HD13 LEU 123 3HD1 LEU 123 16.582 24.847 -13.807 948 HD21 LEU 123 3HD2 LEU 123 17.748 23.851 -15.852 949 HD22 LEU 123 1HD2 LEU 123 16.229 23.975 -16.739 950 HD23 LEU 123 2HD2 LEU 123 17.051 22.419 -16.611 951 H GLU 124 H GLU 124 19.725 20.273 -14.701 952 HA GLU 124 HA GLU 124 20.026 18.234 -12.792 953 HB2 GLU 124 1HB GLU 124 22.080 20.144 -13.922 954 HB3 GLU 124 2HB GLU 124 22.458 18.687 -13.013 955 HG2 GLU 124 1HG GLU 124 21.583 17.291 -14.717 956 HG3 GLU 124 2HG GLU 124 20.872 18.666 -15.560 957 H HIS 125 H HIS 125 20.750 21.710 -12.621 958 HA HIS 125 HA HIS 125 21.224 21.510 -9.758 959 HB2 HIS 125 1HB HIS 125 21.275 23.849 -11.676 960 HB3 HIS 125 2HB HIS 125 21.553 24.009 -9.945 961 HD1 HIS 125 HD1 HIS 125 23.819 23.260 -9.031 962 HD2 HIS 125 HD2 HIS 125 23.356 22.595 -13.110 963 HE1 HIS 125 HE1 HIS 125 26.106 22.659 -9.886 964 HE2 HIS 125 HE2 HIS 125 25.839 22.494 -12.388 965 H HIS 126 H HIS 126 18.889 20.585 -9.914 966 HA HIS 126 HA HIS 126 16.756 22.505 -10.076 967 HB2 HIS 126 1HB HIS 126 16.515 20.105 -10.732 968 HB3 HIS 126 2HB HIS 126 16.715 19.656 -9.042 969 HD1 HIS 126 HD1 HIS 126 14.642 19.541 -7.672 970 HD2 HIS 126 HD2 HIS 126 14.080 21.665 -11.208 971 HE1 HIS 126 HE1 HIS 126 12.178 20.043 -7.780 972 HE2 HIS 126 HE2 HIS 126 11.881 21.446 -9.855 973 H HIS 127 H HIS 127 15.336 23.047 -8.345 974 HA HIS 127 HA HIS 127 14.685 23.586 -6.259 975 HB2 HIS 127 1HB HIS 127 15.162 21.228 -5.646 976 HB3 HIS 127 2HB HIS 127 16.817 21.688 -5.258 977 HD1 HIS 127 HD1 HIS 127 13.273 22.498 -4.125 978 HD2 HIS 127 HD2 HIS 127 17.173 22.465 -2.680 979 HE1 HIS 127 HE1 HIS 127 13.095 23.024 -1.669 980 HE2 HIS 127 HE2 HIS 127 15.453 22.854 -0.788 981 H HIS 128 H HIS 128 15.844 25.502 -7.288 982 HA HIS 128 HA HIS 128 17.878 26.458 -5.385 983 HB2 HIS 128 1HB HIS 128 17.352 27.060 -8.250 984 HB3 HIS 128 2HB HIS 128 17.888 28.398 -7.241 985 HD1 HIS 128 HD1 HIS 128 19.080 25.250 -8.841 986 HD2 HIS 128 HD2 HIS 128 20.510 28.153 -6.229 987 HE1 HIS 128 HE1 HIS 128 21.565 24.896 -8.725 988 HE2 HIS 128 HE2 HIS 128 22.388 26.561 -7.027 989 H HIS 129 H HIS 129 17.609 29.003 -5.134 990 HA HIS 129 HA HIS 129 15.013 29.246 -3.882 991 HB2 HIS 129 1HB HIS 129 17.375 31.130 -3.965 992 HB3 HIS 129 2HB HIS 129 15.903 31.422 -3.042 993 HD1 HIS 129 HD1 HIS 129 15.541 29.993 -0.902 994 HD2 HIS 129 HD2 HIS 129 19.121 29.250 -2.890 995 HE1 HIS 129 HE1 HIS 129 16.928 28.614 0.680 996 HE2 HIS 129 HE2 HIS 129 19.043 28.075 -0.586 997 H HIS 130 H HIS 130 13.544 30.953 -4.249 998 HA HIS 130 HA HIS 130 13.897 32.566 -6.640 999 HB2 HIS 130 1HB HIS 130 11.790 31.946 -7.643 1000 HB3 HIS 130 2HB HIS 130 12.747 30.490 -7.415 1001 HD1 HIS 130 HD1 HIS 130 12.038 29.139 -5.077 1002 HD2 HIS 130 HD2 HIS 130 9.252 31.710 -6.778 1003 HE1 HIS 130 HE1 HIS 130 9.809 28.412 -4.173 1004 HE2 HIS 130 HE2 HIS 130 8.149 30.056 -5.122 Start of MODEL 6 1 H1 MET 1 1H MET 1 5.344 -22.457 8.788 2 H2 MET 1 2H MET 1 5.894 -24.049 8.613 3 H3 MET 1 3H MET 1 4.920 -23.632 9.934 4 HA MET 1 HA MET 1 3.064 -23.192 8.512 5 HB2 MET 1 1HB MET 1 5.017 -23.913 6.327 6 HB3 MET 1 2HB MET 1 3.279 -23.960 6.090 7 HG2 MET 1 1HG MET 1 4.096 -21.900 5.233 8 HG3 MET 1 2HG MET 1 3.179 -21.561 6.698 9 HE1 MET 1 3HE MET 1 6.857 -22.929 6.219 10 HE2 MET 1 1HE MET 1 7.786 -21.440 6.384 11 HE3 MET 1 2HE MET 1 6.710 -21.662 5.004 12 H ASN 2 H ASN 2 5.434 -25.806 8.125 13 HA ASN 2 HA ASN 2 3.360 -27.812 7.921 14 HB2 ASN 2 1HB ASN 2 5.604 -27.973 6.784 15 HB3 ASN 2 2HB ASN 2 6.325 -28.216 8.370 16 HD21 ASN 2 2HD2 ASN 2 6.392 -29.984 6.132 17 HD22 ASN 2 1HD2 ASN 2 5.632 -31.454 6.628 18 H ASP 3 H ASP 3 2.182 -28.063 9.718 19 HA ASP 3 HA ASP 3 1.599 -28.854 11.763 20 HB2 ASP 3 1HB ASP 3 3.265 -30.585 11.626 21 HB3 ASP 3 2HB ASP 3 4.553 -29.449 12.019 22 H ASP 4 H ASP 4 4.523 -26.861 11.847 23 HA ASP 4 HA ASP 4 3.521 -25.507 14.243 24 HB2 ASP 4 1HB ASP 4 5.828 -26.234 14.365 25 HB3 ASP 4 2HB ASP 4 6.206 -25.420 12.851 26 H VAL 5 H VAL 5 2.726 -23.523 14.197 27 HA VAL 5 HA VAL 5 1.573 -21.793 13.311 28 HB VAL 5 HB VAL 5 3.647 -20.731 13.921 29 HG11 VAL 5 1HG1 VAL 5 5.417 -20.249 12.305 30 HG12 VAL 5 2HG1 VAL 5 4.603 -21.267 11.117 31 HG13 VAL 5 3HG1 VAL 5 5.242 -21.980 12.599 32 HG21 VAL 5 3HG2 VAL 5 2.555 -19.657 11.331 33 HG22 VAL 5 1HG2 VAL 5 3.513 -18.744 12.497 34 HG23 VAL 5 2HG2 VAL 5 1.918 -19.351 12.947 35 H ASP 6 H ASP 6 0.189 -22.802 11.959 36 HA ASP 6 HA ASP 6 0.931 -23.227 9.179 37 HB2 ASP 6 1HB ASP 6 -1.272 -24.357 9.024 38 HB3 ASP 6 2HB ASP 6 -0.250 -25.030 10.290 39 H ILE 7 H ILE 7 -1.823 -22.912 8.205 40 HA ILE 7 HA ILE 7 -1.566 -20.016 7.770 41 HB ILE 7 HB ILE 7 -1.213 -21.564 5.828 42 HG12 ILE 7 1HG1 ILE 7 -2.618 -20.267 4.242 43 HG13 ILE 7 2HG1 ILE 7 -3.514 -19.609 5.608 44 HG21 ILE 7 1HG2 ILE 7 -2.889 -23.237 6.389 45 HG22 ILE 7 2HG2 ILE 7 -3.164 -22.589 4.772 46 HG23 ILE 7 3HG2 ILE 7 -4.172 -22.058 6.118 47 HD11 ILE 7 3HD1 ILE 7 -1.467 -18.563 6.434 48 HD12 ILE 7 1HD1 ILE 7 -1.869 -18.030 4.802 49 HD13 ILE 7 2HD1 ILE 7 -0.585 -19.214 5.052 50 H GLN 8 H GLN 8 -3.462 -22.056 9.513 51 HA GLN 8 HA GLN 8 -6.060 -21.012 8.894 52 HB2 GLN 8 1HB GLN 8 -4.965 -22.606 11.203 53 HB3 GLN 8 2HB GLN 8 -6.630 -22.043 11.168 54 HG2 GLN 8 1HG GLN 8 -7.172 -23.391 9.339 55 HG3 GLN 8 2HG GLN 8 -5.481 -23.651 8.917 56 HE21 GLN 8 2HE2 GLN 8 -4.607 -24.189 11.579 57 HE22 GLN 8 1HE2 GLN 8 -5.207 -25.760 12.010 58 H GLN 9 H GLN 9 -6.716 -19.039 9.310 59 HA GLN 9 HA GLN 9 -5.381 -17.526 11.436 60 HB2 GLN 9 1HB GLN 9 -6.379 -15.514 10.276 61 HB3 GLN 9 2HB GLN 9 -5.158 -16.391 9.367 62 HG2 GLN 9 1HG GLN 9 -6.591 -16.357 7.676 63 HG3 GLN 9 2HG GLN 9 -7.509 -17.572 8.561 64 HE21 GLN 9 2HE2 GLN 9 -9.369 -16.968 9.652 65 HE22 GLN 9 1HE2 GLN 9 -10.172 -15.462 9.348 66 H SER 10 H SER 10 -6.427 -16.808 13.146 67 HA SER 10 HA SER 10 -9.345 -17.116 13.241 68 HB2 SER 10 1HB SER 10 -8.923 -17.560 15.745 69 HB3 SER 10 2HB SER 10 -8.535 -18.852 14.610 70 HG SER 10 HG SER 10 -6.494 -18.676 15.103 71 H TYR 11 H TYR 11 -7.057 -15.831 15.550 72 HA TYR 11 HA TYR 11 -8.516 -13.371 15.815 73 HB2 TYR 11 1HB TYR 11 -5.842 -14.119 17.005 74 HB3 TYR 11 2HB TYR 11 -6.860 -12.771 17.497 75 HD1 TYR 11 HD1 TYR 11 -9.448 -13.696 17.952 76 HD2 TYR 11 HD2 TYR 11 -5.818 -15.848 18.511 77 HE1 TYR 11 HE1 TYR 11 -10.560 -15.130 19.614 78 HE2 TYR 11 HE2 TYR 11 -6.922 -17.288 20.173 79 HH TYR 11 HH TYR 11 -10.288 -17.379 20.582 80 HA PRO 12 HA PRO 12 -4.121 -11.830 13.819 81 HB2 PRO 12 1HB PRO 12 -4.357 -14.073 11.848 82 HB3 PRO 12 2HB PRO 12 -2.918 -13.180 12.360 83 HG2 PRO 12 1HG PRO 12 -3.436 -15.581 13.364 84 HG3 PRO 12 2HG PRO 12 -2.796 -14.290 14.394 85 HD2 PRO 12 1HD PRO 12 -5.519 -15.449 14.296 86 HD3 PRO 12 2HD PRO 12 -4.666 -14.674 15.645 87 H PHE 13 H PHE 13 -4.920 -10.085 12.879 88 HA PHE 13 HA PHE 13 -7.238 -10.081 11.233 89 HB2 PHE 13 1HB PHE 13 -5.182 -7.878 11.522 90 HB3 PHE 13 2HB PHE 13 -6.850 -7.707 10.993 91 HD1 PHE 13 HD1 PHE 13 -8.696 -8.103 12.658 92 HD2 PHE 13 HD2 PHE 13 -4.606 -7.797 13.789 93 HE1 PHE 13 HE1 PHE 13 -9.376 -7.652 14.979 94 HE2 PHE 13 HE2 PHE 13 -5.280 -7.353 16.115 95 HZ PHE 13 HZ PHE 13 -7.665 -7.281 16.713 96 H SER 14 H SER 14 -7.424 -10.020 9.055 97 HA SER 14 HA SER 14 -4.936 -10.077 7.483 98 HB2 SER 14 1HB SER 14 -6.022 -12.255 7.421 99 HB3 SER 14 2HB SER 14 -7.554 -11.512 6.964 100 HG SER 14 HG SER 14 -5.323 -12.084 5.428 101 H ILE 15 H ILE 15 -4.707 -8.529 6.014 102 HA ILE 15 HA ILE 15 -6.926 -6.683 5.585 103 HB ILE 15 HB ILE 15 -4.040 -6.463 4.703 104 HG12 ILE 15 1HG1 ILE 15 -5.518 -5.196 7.022 105 HG13 ILE 15 2HG1 ILE 15 -4.266 -6.427 7.142 106 HG21 ILE 15 1HG2 ILE 15 -6.277 -4.436 4.686 107 HG22 ILE 15 2HG2 ILE 15 -5.519 -5.170 3.272 108 HG23 ILE 15 3HG2 ILE 15 -4.589 -4.091 4.311 109 HD11 ILE 15 3HD1 ILE 15 -3.877 -3.647 6.068 110 HD12 ILE 15 1HD1 ILE 15 -2.629 -4.878 6.260 111 HD13 ILE 15 2HD1 ILE 15 -3.430 -4.204 7.681 112 H GLU 16 H GLU 16 -8.205 -6.896 3.895 113 HA GLU 16 HA GLU 16 -7.259 -8.344 1.538 114 HB2 GLU 16 1HB GLU 16 -9.469 -8.939 2.499 115 HB3 GLU 16 2HB GLU 16 -10.031 -7.303 2.179 116 HG2 GLU 16 1HG GLU 16 -10.801 -8.887 0.489 117 HG3 GLU 16 2HG GLU 16 -9.760 -7.640 -0.199 118 H THR 17 H THR 17 -7.158 -7.405 -0.495 119 HA THR 17 HA THR 17 -7.330 -4.467 -0.508 120 HB THR 17 HB THR 17 -5.344 -4.541 -2.087 121 HG1 THR 17 HG1 THR 17 -5.564 -6.936 -2.315 122 HG21 THR 17 3HG2 THR 17 -4.937 -5.417 0.776 123 HG22 THR 17 1HG2 THR 17 -5.110 -3.759 0.203 124 HG23 THR 17 2HG2 THR 17 -3.694 -4.707 -0.256 125 H MET 18 H MET 18 -8.146 -3.525 -2.306 126 HA MET 18 HA MET 18 -9.468 -5.176 -4.253 127 HB2 MET 18 1HB MET 18 -9.211 -2.199 -3.874 128 HB3 MET 18 2HB MET 18 -9.957 -2.872 -5.315 129 HG2 MET 18 1HG MET 18 -11.661 -2.275 -3.739 130 HG3 MET 18 2HG MET 18 -11.603 -4.029 -3.889 131 HE1 MET 18 3HE MET 18 -13.164 -2.670 -1.537 132 HE2 MET 18 1HE MET 18 -12.632 -3.639 -0.163 133 HE3 MET 18 2HE MET 18 -12.979 -4.416 -1.707 134 HA PRO 19 HA PRO 19 -6.030 -5.762 -6.900 135 HB2 PRO 19 1HB PRO 19 -8.065 -5.944 -9.052 136 HB3 PRO 19 2HB PRO 19 -6.848 -7.122 -8.548 137 HG2 PRO 19 1HG PRO 19 -9.417 -7.491 -7.957 138 HG3 PRO 19 2HG PRO 19 -8.145 -7.909 -6.795 139 HD2 PRO 19 1HD PRO 19 -9.946 -5.521 -6.852 140 HD3 PRO 19 2HD PRO 19 -9.415 -6.501 -5.470 141 H VAL 20 H VAL 20 -4.759 -4.619 -8.235 142 HA VAL 20 HA VAL 20 -5.572 -1.940 -8.943 143 HB VAL 20 HB VAL 20 -3.231 -1.656 -9.689 144 HG11 VAL 20 1HG1 VAL 20 -3.505 -2.914 -6.961 145 HG12 VAL 20 2HG1 VAL 20 -3.776 -1.219 -7.364 146 HG13 VAL 20 3HG1 VAL 20 -2.157 -1.909 -7.495 147 HG21 VAL 20 3HG2 VAL 20 -2.912 -4.546 -8.873 148 HG22 VAL 20 1HG2 VAL 20 -1.598 -3.454 -9.311 149 HG23 VAL 20 2HG2 VAL 20 -2.807 -3.906 -10.513 150 HA PRO 21 HA PRO 21 -6.387 -2.739 -13.248 151 HB2 PRO 21 1HB PRO 21 -5.463 -0.439 -14.371 152 HB3 PRO 21 2HB PRO 21 -6.983 -0.529 -13.476 153 HG2 PRO 21 1HG PRO 21 -4.297 0.431 -12.557 154 HG3 PRO 21 2HG PRO 21 -5.898 1.140 -12.265 155 HD2 PRO 21 1HD PRO 21 -4.617 -0.359 -10.415 156 HD3 PRO 21 2HD PRO 21 -6.385 -0.353 -10.571 157 H LYS 22 H LYS 22 -5.315 -3.374 -15.149 158 HA LYS 22 HA LYS 22 -2.482 -3.941 -14.762 159 HB2 LYS 22 1HB LYS 22 -4.301 -4.792 -17.024 160 HB3 LYS 22 2HB LYS 22 -2.707 -5.435 -16.665 161 HG2 LYS 22 1HG LYS 22 -5.129 -5.694 -14.891 162 HG3 LYS 22 2HG LYS 22 -4.506 -6.943 -15.970 163 HD2 LYS 22 1HD LYS 22 -2.397 -6.961 -14.709 164 HD3 LYS 22 2HD LYS 22 -3.047 -5.731 -13.621 165 HE2 LYS 22 1HE LYS 22 -4.836 -7.261 -12.958 166 HE3 LYS 22 2HE LYS 22 -4.200 -8.485 -14.053 167 HZ1 LYS 22 3HZ LYS 22 -3.511 -8.903 -11.790 168 HZ2 LYS 22 1HZ LYS 22 -2.793 -7.373 -11.681 169 HZ3 LYS 22 2HZ LYS 22 -2.160 -8.536 -12.741 170 H LYS 23 H LYS 23 -3.945 -1.320 -15.674 171 HA LYS 23 HA LYS 23 -1.966 -0.638 -17.727 172 HB2 LYS 23 1HB LYS 23 -4.858 0.247 -17.830 173 HB3 LYS 23 2HB LYS 23 -3.611 0.568 -19.027 174 HG2 LYS 23 1HG LYS 23 -3.494 -1.838 -19.519 175 HG3 LYS 23 2HG LYS 23 -4.795 -2.119 -18.360 176 HD2 LYS 23 1HD LYS 23 -6.218 -0.567 -19.716 177 HD3 LYS 23 2HD LYS 23 -4.930 -0.538 -20.923 178 HE2 LYS 23 1HE LYS 23 -6.495 -2.940 -19.997 179 HE3 LYS 23 2HE LYS 23 -6.591 -2.156 -21.573 180 HZ1 LYS 23 3HZ LYS 23 -5.254 -4.164 -21.649 181 HZ2 LYS 23 1HZ LYS 23 -4.201 -3.542 -20.475 182 HZ3 LYS 23 2HZ LYS 23 -4.307 -2.802 -21.999 183 H LEU 24 H LEU 24 -0.739 0.887 -16.788 184 HA LEU 24 HA LEU 24 -2.102 3.080 -15.401 185 HB2 LEU 24 1HB LEU 24 0.196 1.443 -14.392 186 HB3 LEU 24 2HB LEU 24 -0.024 3.100 -13.864 187 HG LEU 24 HG LEU 24 -2.044 0.881 -13.512 188 HD11 LEU 24 1HD1 LEU 24 -0.084 0.569 -12.098 189 HD12 LEU 24 2HD1 LEU 24 -1.480 1.054 -11.136 190 HD13 LEU 24 3HD1 LEU 24 -0.223 2.229 -11.522 191 HD21 LEU 24 3HD2 LEU 24 -3.092 3.062 -13.772 192 HD22 LEU 24 1HD2 LEU 24 -2.024 3.737 -12.540 193 HD23 LEU 24 2HD2 LEU 24 -3.214 2.511 -12.102 194 H LYS 25 H LYS 25 -1.473 5.016 -15.955 195 HA LYS 25 HA LYS 25 0.660 5.312 -17.920 196 HB2 LYS 25 1HB LYS 25 -1.607 6.301 -18.287 197 HB3 LYS 25 2HB LYS 25 -1.345 7.333 -16.891 198 HG2 LYS 25 1HG LYS 25 0.661 8.262 -18.085 199 HG3 LYS 25 2HG LYS 25 0.117 7.381 -19.511 200 HD2 LYS 25 1HD LYS 25 -1.593 9.366 -18.026 201 HD3 LYS 25 2HD LYS 25 -0.584 9.792 -19.404 202 HE2 LYS 25 1HE LYS 25 -2.780 9.469 -20.233 203 HE3 LYS 25 2HE LYS 25 -1.838 8.068 -20.730 204 HZ1 LYS 25 3HZ LYS 25 -2.922 6.704 -19.222 205 HZ2 LYS 25 1HZ LYS 25 -4.166 7.694 -19.802 206 HZ3 LYS 25 2HZ LYS 25 -3.485 7.993 -18.277 207 H VAL 26 H VAL 26 2.349 6.881 -17.657 208 HA VAL 26 HA VAL 26 3.343 7.212 -15.014 209 HB VAL 26 HB VAL 26 4.161 8.721 -17.510 210 HG11 VAL 26 1HG1 VAL 26 5.606 8.280 -14.897 211 HG12 VAL 26 2HG1 VAL 26 4.928 9.804 -15.473 212 HG13 VAL 26 3HG1 VAL 26 6.284 9.065 -16.324 213 HG21 VAL 26 3HG2 VAL 26 5.313 6.193 -16.334 214 HG22 VAL 26 1HG2 VAL 26 5.924 7.059 -17.744 215 HG23 VAL 26 2HG2 VAL 26 4.336 6.293 -17.799 216 H GLY 27 H GLY 27 2.811 8.677 -13.547 217 HA2 GLY 27 1HA GLY 27 2.273 10.842 -12.764 218 HA3 GLY 27 2HA GLY 27 1.733 11.273 -14.381 219 H GLU 28 H GLU 28 0.501 8.312 -13.823 220 HA GLU 28 HA GLU 28 -2.122 9.428 -13.183 221 HB2 GLU 28 1HB GLU 28 -1.661 7.913 -15.184 222 HB3 GLU 28 2HB GLU 28 -1.469 6.607 -14.031 223 HG2 GLU 28 1HG GLU 28 -3.743 6.818 -13.319 224 HG3 GLU 28 2HG GLU 28 -3.959 8.265 -14.305 225 H THR 29 H THR 29 -3.497 8.364 -11.605 226 HA THR 29 HA THR 29 -1.911 7.169 -9.430 227 HB THR 29 HB THR 29 -4.454 8.791 -9.208 228 HG1 THR 29 HG1 THR 29 -1.998 9.619 -9.642 229 HG21 THR 29 3HG2 THR 29 -3.977 8.818 -6.810 230 HG22 THR 29 1HG2 THR 29 -2.561 7.800 -7.069 231 HG23 THR 29 2HG2 THR 29 -4.175 7.163 -7.388 232 H ALA 30 H ALA 30 -2.621 5.347 -8.441 233 HA ALA 30 HA ALA 30 -5.213 4.226 -9.294 234 HB1 ALA 30 3HB ALA 30 -4.253 1.995 -9.200 235 HB2 ALA 30 1HB ALA 30 -2.693 2.665 -8.724 236 HB3 ALA 30 2HB ALA 30 -3.342 3.000 -10.328 237 H GLU 31 H GLU 31 -6.568 4.088 -7.619 238 HA GLU 31 HA GLU 31 -5.546 4.291 -4.930 239 HB2 GLU 31 1HB GLU 31 -7.917 4.328 -4.240 240 HB3 GLU 31 2HB GLU 31 -7.549 5.539 -5.457 241 HG2 GLU 31 1HG GLU 31 -8.630 4.273 -7.157 242 HG3 GLU 31 2HG GLU 31 -8.794 2.878 -6.093 243 H ILE 32 H ILE 32 -4.589 2.520 -4.198 244 HA ILE 32 HA ILE 32 -5.755 -0.104 -4.571 245 HB ILE 32 HB ILE 32 -3.456 0.698 -2.773 246 HG12 ILE 32 1HG1 ILE 32 -3.359 -0.325 -5.624 247 HG13 ILE 32 2HG1 ILE 32 -3.044 1.335 -5.133 248 HG21 ILE 32 1HG2 ILE 32 -4.242 -1.979 -3.926 249 HG22 ILE 32 2HG2 ILE 32 -4.439 -1.474 -2.247 250 HG23 ILE 32 3HG2 ILE 32 -2.822 -1.659 -2.928 251 HD11 ILE 32 3HD1 ILE 32 -0.979 0.135 -5.536 252 HD12 ILE 32 1HD1 ILE 32 -1.430 -1.075 -4.335 253 HD13 ILE 32 2HD1 ILE 32 -1.120 0.588 -3.837 254 H ARG 33 H ARG 33 -7.666 -0.267 -3.506 255 HA ARG 33 HA ARG 33 -8.066 0.909 -0.923 256 HB2 ARG 33 1HB ARG 33 -9.760 -0.995 -2.540 257 HB3 ARG 33 2HB ARG 33 -10.250 -0.317 -0.992 258 HG2 ARG 33 1HG ARG 33 -10.149 1.923 -1.919 259 HG3 ARG 33 2HG ARG 33 -9.606 1.271 -3.468 260 HD2 ARG 33 1HD ARG 33 -11.957 1.722 -3.595 261 HD3 ARG 33 2HD ARG 33 -11.707 -0.021 -3.609 262 HE ARG 33 HE ARG 33 -12.198 0.300 -1.055 263 HH11 ARG 33 1HH1 ARG 33 -13.751 1.901 -3.756 264 HH12 ARG 33 2HH1 ARG 33 -15.279 2.080 -2.941 265 HH21 ARG 33 1HH2 ARG 33 -14.218 0.509 0.015 266 HH22 ARG 33 2HH2 ARG 33 -15.545 1.278 -0.802 267 H CYS 34 H CYS 34 -7.944 -0.004 1.019 268 HA CYS 34 HA CYS 34 -7.241 -2.855 1.163 269 HB2 CYS 34 1HB CYS 34 -5.899 -0.666 2.759 270 HB3 CYS 34 2HB CYS 34 -5.489 -2.379 2.762 271 HG CYS 34 HG CYS 34 -5.272 -0.698 -0.175 272 H GLN 35 H GLN 35 -8.426 -3.928 2.602 273 HA GLN 35 HA GLN 35 -9.721 -2.394 4.763 274 HB2 GLN 35 1HB GLN 35 -11.302 -2.983 2.928 275 HB3 GLN 35 2HB GLN 35 -10.950 -4.680 3.216 276 HG2 GLN 35 1HG GLN 35 -11.791 -4.400 5.534 277 HG3 GLN 35 2HG GLN 35 -12.261 -2.754 5.118 278 HE21 GLN 35 2HE2 GLN 35 -13.906 -4.966 5.982 279 HE22 GLN 35 1HE2 GLN 35 -15.075 -5.228 4.729 280 H LEU 36 H LEU 36 -8.824 -3.037 6.593 281 HA LEU 36 HA LEU 36 -7.726 -5.679 6.919 282 HB2 LEU 36 1HB LEU 36 -6.642 -3.777 7.974 283 HB3 LEU 36 2HB LEU 36 -8.103 -3.384 8.852 284 HG LEU 36 HG LEU 36 -6.925 -6.071 9.335 285 HD11 LEU 36 1HD1 LEU 36 -5.742 -3.527 10.438 286 HD12 LEU 36 2HD1 LEU 36 -4.955 -4.625 9.305 287 HD13 LEU 36 3HD1 LEU 36 -5.326 -5.165 10.942 288 HD21 LEU 36 3HD2 LEU 36 -7.644 -5.566 11.630 289 HD22 LEU 36 1HD2 LEU 36 -8.968 -5.381 10.480 290 HD23 LEU 36 2HD2 LEU 36 -8.145 -3.956 11.113 291 H HIS 37 H HIS 37 -8.803 -7.425 7.558 292 HA HIS 37 HA HIS 37 -11.546 -7.226 8.397 293 HB2 HIS 37 1HB HIS 37 -9.664 -9.562 8.076 294 HB3 HIS 37 2HB HIS 37 -11.298 -9.750 8.710 295 HD1 HIS 37 HD1 HIS 37 -9.665 -10.292 5.692 296 HD2 HIS 37 HD2 HIS 37 -13.110 -8.177 6.680 297 HE1 HIS 37 HE1 HIS 37 -10.986 -10.111 3.564 298 HE2 HIS 37 HE2 HIS 37 -12.947 -8.634 4.142 299 H ARG 38 H ARG 38 -12.169 -6.757 10.334 300 HA ARG 38 HA ARG 38 -10.231 -6.909 12.535 301 HB2 ARG 38 1HB ARG 38 -11.414 -4.754 11.713 302 HB3 ARG 38 2HB ARG 38 -12.831 -5.392 12.529 303 HG2 ARG 38 1HG ARG 38 -11.555 -5.447 14.635 304 HG3 ARG 38 2HG ARG 38 -10.185 -4.718 13.792 305 HD2 ARG 38 1HD ARG 38 -11.342 -2.948 14.872 306 HD3 ARG 38 2HD ARG 38 -11.724 -2.832 13.155 307 HE ARG 38 HE ARG 38 -13.636 -4.361 14.658 308 HH11 ARG 38 1HH1 ARG 38 -12.737 -1.154 13.543 309 HH12 ARG 38 2HH1 ARG 38 -14.312 -0.473 13.852 310 HH21 ARG 38 1HH2 ARG 38 -15.706 -3.463 15.067 311 HH22 ARG 38 2HH2 ARG 38 -16.001 -1.786 14.712 312 H ASP 39 H ASP 39 -10.493 -8.558 13.958 313 HA ASP 39 HA ASP 39 -13.027 -9.962 14.016 314 HB2 ASP 39 1HB ASP 39 -11.899 -11.771 14.804 315 HB3 ASP 39 2HB ASP 39 -10.522 -10.918 14.121 316 H GLY 40 H GLY 40 -10.937 -8.301 16.412 317 HA2 GLY 40 1HA GLY 40 -12.420 -6.627 17.681 318 HA3 GLY 40 2HA GLY 40 -13.331 -8.061 18.119 319 H ARG 41 H ARG 41 -10.197 -9.080 18.039 320 HA ARG 41 HA ARG 41 -9.982 -8.913 20.930 321 HB2 ARG 41 1HB ARG 41 -8.115 -10.176 18.916 322 HB3 ARG 41 2HB ARG 41 -8.019 -10.361 20.661 323 HG2 ARG 41 1HG ARG 41 -10.425 -11.165 19.067 324 HG3 ARG 41 2HG ARG 41 -9.084 -12.257 19.403 325 HD2 ARG 41 1HD ARG 41 -10.601 -10.811 21.558 326 HD3 ARG 41 2HD ARG 41 -11.075 -12.399 20.958 327 HE ARG 41 HE ARG 41 -8.383 -11.958 22.062 328 HH11 ARG 41 1HH1 ARG 41 -11.469 -13.629 22.122 329 HH12 ARG 41 2HH1 ARG 41 -10.933 -14.813 23.284 330 HH21 ARG 41 1HH2 ARG 41 -7.694 -13.531 23.572 331 HH22 ARG 41 2HH2 ARG 41 -8.806 -14.764 24.085 332 H PHE 42 H PHE 42 -9.345 -7.059 21.718 333 HA PHE 42 HA PHE 42 -8.556 -4.916 21.715 334 HB2 PHE 42 1HB PHE 42 -6.049 -4.858 22.049 335 HB3 PHE 42 2HB PHE 42 -6.973 -5.866 23.147 336 HD1 PHE 42 HD2 PHE 42 -6.831 -8.302 23.002 337 HD2 PHE 42 HD1 PHE 42 -4.437 -5.771 20.563 338 HE1 PHE 42 HE2 PHE 42 -5.323 -10.192 22.538 339 HE2 PHE 42 HE1 PHE 42 -2.915 -7.650 20.100 340 HZ PHE 42 HZ PHE 42 -3.360 -9.866 21.086 341 H GLU 43 H GLU 43 -9.476 -4.910 19.492 342 HA GLU 43 HA GLU 43 -7.919 -4.792 17.165 343 HB2 GLU 43 1HB GLU 43 -9.919 -3.506 16.284 344 HB3 GLU 43 2HB GLU 43 -10.263 -5.090 16.971 345 HG2 GLU 43 1HG GLU 43 -10.991 -4.061 19.043 346 HG3 GLU 43 2HG GLU 43 -10.590 -2.467 18.413 347 H GLU 44 H GLU 44 -7.809 -2.721 19.747 348 HA GLU 44 HA GLU 44 -7.632 -0.228 18.295 349 HB2 GLU 44 1HB GLU 44 -7.041 -0.782 21.208 350 HB3 GLU 44 2HB GLU 44 -7.362 0.788 20.475 351 HG2 GLU 44 1HG GLU 44 -9.635 0.062 19.933 352 HG3 GLU 44 2HG GLU 44 -9.311 -1.496 20.689 353 H THR 45 H THR 45 -5.680 -2.602 18.135 354 HA THR 45 HA THR 45 -3.147 -1.594 18.966 355 HB THR 45 HB THR 45 -3.364 -3.960 18.771 356 HG1 THR 45 HG1 THR 45 -1.878 -4.104 16.617 357 HG21 THR 45 3HG2 THR 45 -5.206 -4.094 17.200 358 HG22 THR 45 1HG2 THR 45 -3.864 -5.085 16.631 359 HG23 THR 45 2HG2 THR 45 -4.171 -3.511 15.897 360 H LYS 46 H LYS 46 -1.418 -0.935 17.553 361 HA LYS 46 HA LYS 46 -2.379 0.851 15.475 362 HB2 LYS 46 1HB LYS 46 0.257 0.536 16.885 363 HB3 LYS 46 2HB LYS 46 0.124 1.503 15.425 364 HG2 LYS 46 1HG LYS 46 -0.037 3.011 17.210 365 HG3 LYS 46 2HG LYS 46 -1.685 2.812 16.614 366 HD2 LYS 46 1HD LYS 46 -2.211 1.322 18.429 367 HD3 LYS 46 2HD LYS 46 -0.532 1.335 18.976 368 HE2 LYS 46 1HE LYS 46 -2.413 3.692 18.925 369 HE3 LYS 46 2HE LYS 46 -1.896 2.803 20.356 370 HZ1 LYS 46 3HZ LYS 46 0.396 3.483 19.871 371 HZ2 LYS 46 1HZ LYS 46 -0.621 4.817 20.137 372 HZ3 LYS 46 2HZ LYS 46 -0.155 4.405 18.560 373 H TYR 47 H TYR 47 -2.167 0.543 13.368 374 HA TYR 47 HA TYR 47 -0.621 -1.772 12.428 375 HB2 TYR 47 1HB TYR 47 -2.550 -0.177 10.751 376 HB3 TYR 47 2HB TYR 47 -2.022 -1.841 10.530 377 HD1 TYR 47 HD1 TYR 47 -2.636 -3.367 12.725 378 HD2 TYR 47 HD2 TYR 47 -4.720 0.098 11.401 379 HE1 TYR 47 HE1 TYR 47 -4.657 -4.142 13.890 380 HE2 TYR 47 HE2 TYR 47 -6.743 -0.666 12.565 381 HH TYR 47 HH TYR 47 -6.759 -3.031 14.870 382 H PHE 48 H PHE 48 1.184 -1.463 11.226 383 HA PHE 48 HA PHE 48 1.770 1.292 10.352 384 HB2 PHE 48 1HB PHE 48 3.700 -0.791 11.393 385 HB3 PHE 48 2HB PHE 48 4.161 0.779 10.748 386 HD1 PHE 48 HD2 PHE 48 3.386 2.856 11.948 387 HD2 PHE 48 HD1 PHE 48 3.061 -1.040 13.637 388 HE1 PHE 48 HE2 PHE 48 3.155 3.849 14.187 389 HE2 PHE 48 HE1 PHE 48 2.829 -0.050 15.876 390 HZ PHE 48 HZ PHE 48 2.880 2.395 16.154 391 H ILE 49 H ILE 49 2.868 1.581 8.420 392 HA ILE 49 HA ILE 49 3.031 -0.792 6.673 393 HB ILE 49 HB ILE 49 1.171 0.608 5.973 394 HG12 ILE 49 1HG1 ILE 49 3.544 0.906 4.114 395 HG13 ILE 49 2HG1 ILE 49 2.496 -0.503 4.227 396 HG21 ILE 49 1HG2 ILE 49 1.868 2.722 6.936 397 HG22 ILE 49 2HG2 ILE 49 1.505 2.918 5.222 398 HG23 ILE 49 3HG2 ILE 49 3.182 2.847 5.766 399 HD11 ILE 49 3HD1 ILE 49 1.947 0.857 2.295 400 HD12 ILE 49 1HD1 ILE 49 1.660 2.249 3.339 401 HD13 ILE 49 2HD1 ILE 49 0.611 0.834 3.446 402 H ARG 50 H ARG 50 4.853 -1.076 5.529 403 HA ARG 50 HA ARG 50 6.722 1.083 5.055 404 HB2 ARG 50 1HB ARG 50 7.461 0.377 7.267 405 HB3 ARG 50 2HB ARG 50 7.474 -1.307 6.762 406 HG2 ARG 50 1HG ARG 50 9.303 -0.864 5.237 407 HG3 ARG 50 2HG ARG 50 9.253 0.851 5.645 408 HD2 ARG 50 1HD ARG 50 11.047 -0.192 6.857 409 HD3 ARG 50 2HD ARG 50 9.778 0.265 7.989 410 HE ARG 50 HE ARG 50 9.283 -2.365 7.285 411 HH11 ARG 50 1HH1 ARG 50 11.854 -0.563 8.815 412 HH12 ARG 50 2HH1 ARG 50 12.359 -1.881 9.829 413 HH21 ARG 50 1HH2 ARG 50 9.925 -4.115 8.636 414 HH22 ARG 50 2HH2 ARG 50 11.265 -3.890 9.724 415 H TYR 51 H TYR 51 7.113 0.803 2.918 416 HA TYR 51 HA TYR 51 7.214 -1.970 1.947 417 HB2 TYR 51 1HB TYR 51 6.417 -1.250 -0.176 418 HB3 TYR 51 2HB TYR 51 5.378 -0.514 1.033 419 HD1 TYR 51 HD1 TYR 51 5.482 1.918 1.442 420 HD2 TYR 51 HD2 TYR 51 7.807 0.077 -1.611 421 HE1 TYR 51 HE1 TYR 51 5.848 4.111 0.398 422 HE2 TYR 51 HE2 TYR 51 8.182 2.269 -2.657 423 HH TYR 51 HH TYR 51 7.282 5.230 -1.100 424 H PHE 52 H PHE 52 8.643 -2.421 0.149 425 HA PHE 52 HA PHE 52 10.934 -0.591 -0.068 426 HB2 PHE 52 1HB PHE 52 11.571 -2.482 1.390 427 HB3 PHE 52 2HB PHE 52 11.099 -3.611 0.124 428 HD1 PHE 52 HD2 PHE 52 13.474 -0.885 0.937 429 HD2 PHE 52 HD1 PHE 52 12.598 -4.206 -1.583 430 HE1 PHE 52 HE2 PHE 52 15.741 -0.760 -0.010 431 HE2 PHE 52 HE1 PHE 52 14.863 -4.083 -2.537 432 HZ PHE 52 HZ PHE 52 16.437 -2.360 -1.750 433 H GLN 53 H GLN 53 11.667 -0.282 -2.107 434 HA GLN 53 HA GLN 53 10.371 -1.840 -4.241 435 HB2 GLN 53 1HB GLN 53 9.415 0.458 -3.958 436 HB3 GLN 53 2HB GLN 53 11.002 1.117 -4.315 437 HG2 GLN 53 1HG GLN 53 10.919 0.093 -6.541 438 HG3 GLN 53 2HG GLN 53 9.314 -0.543 -6.177 439 HE21 GLN 53 2HE2 GLN 53 10.120 1.290 -8.289 440 HE22 GLN 53 1HE2 GLN 53 9.188 2.722 -8.063 441 HA PRO 54 HA PRO 54 14.745 -2.495 -5.284 442 HB2 PRO 54 1HB PRO 54 13.435 -4.051 -7.442 443 HB3 PRO 54 2HB PRO 54 14.691 -4.545 -6.300 444 HG2 PRO 54 1HG PRO 54 12.174 -5.422 -6.059 445 HG3 PRO 54 2HG PRO 54 13.164 -5.050 -4.635 446 HD2 PRO 54 1HD PRO 54 10.977 -3.442 -5.895 447 HD3 PRO 54 2HD PRO 54 11.352 -3.684 -4.176 448 H ASP 55 H ASP 55 12.036 -1.663 -7.375 449 HA ASP 55 HA ASP 55 13.608 -0.554 -9.487 450 HB2 ASP 55 1HB ASP 55 11.290 -1.308 -9.847 451 HB3 ASP 55 2HB ASP 55 10.709 -0.065 -8.744 452 H GLY 56 H GLY 56 13.500 1.851 -10.034 453 HA2 GLY 56 1HA GLY 56 14.095 3.275 -7.518 454 HA3 GLY 56 2HA GLY 56 14.956 3.531 -9.023 455 H ALA 57 H ALA 57 11.626 3.234 -9.625 456 HA ALA 57 HA ALA 57 11.193 6.110 -9.239 457 HB1 ALA 57 3HB ALA 57 10.459 6.440 -11.519 458 HB2 ALA 57 1HB ALA 57 10.812 4.754 -11.896 459 HB3 ALA 57 2HB ALA 57 12.124 5.859 -11.485 460 H GLY 58 H GLY 58 9.512 6.044 -7.910 461 HA2 GLY 58 1HA GLY 58 6.929 5.450 -8.862 462 HA3 GLY 58 2HA GLY 58 7.472 4.133 -7.827 463 H THR 59 H THR 59 5.275 5.994 -7.313 464 HA THR 59 HA THR 59 6.265 6.917 -4.711 465 HB THR 59 HB THR 59 4.651 8.614 -6.621 466 HG1 THR 59 HG1 THR 59 7.224 8.350 -6.344 467 HG21 THR 59 3HG2 THR 59 5.447 9.186 -3.760 468 HG22 THR 59 1HG2 THR 59 3.806 8.890 -4.338 469 HG23 THR 59 2HG2 THR 59 4.681 10.328 -4.863 470 H LEU 60 H LEU 60 5.125 5.777 -3.289 471 HA LEU 60 HA LEU 60 2.292 5.251 -3.811 472 HB2 LEU 60 1HB LEU 60 3.726 3.355 -3.143 473 HB3 LEU 60 2HB LEU 60 4.114 4.184 -1.648 474 HG LEU 60 HG LEU 60 1.724 4.062 -0.993 475 HD11 LEU 60 1HD1 LEU 60 0.229 2.576 -2.240 476 HD12 LEU 60 2HD1 LEU 60 1.467 2.373 -3.479 477 HD13 LEU 60 3HD1 LEU 60 0.735 3.956 -3.215 478 HD21 LEU 60 3HD2 LEU 60 1.732 1.693 -0.455 479 HD22 LEU 60 1HD2 LEU 60 3.347 2.372 -0.256 480 HD23 LEU 60 2HD2 LEU 60 2.969 1.402 -1.679 481 H LYS 61 H LYS 61 0.749 6.418 -2.824 482 HA LYS 61 HA LYS 61 1.565 8.094 -0.541 483 HB2 LYS 61 1HB LYS 61 -0.538 8.670 -2.638 484 HB3 LYS 61 2HB LYS 61 -0.168 9.700 -1.262 485 HG2 LYS 61 1HG LYS 61 2.100 10.033 -2.133 486 HG3 LYS 61 2HG LYS 61 1.705 9.017 -3.519 487 HD2 LYS 61 1HD LYS 61 -0.019 10.592 -4.202 488 HD3 LYS 61 2HD LYS 61 0.314 11.593 -2.788 489 HE2 LYS 61 1HE LYS 61 2.627 11.907 -3.611 490 HE3 LYS 61 2HE LYS 61 2.204 10.996 -5.057 491 HZ1 LYS 61 3HZ LYS 61 0.862 13.503 -4.209 492 HZ2 LYS 61 1HZ LYS 61 0.627 12.670 -5.671 493 HZ3 LYS 61 2HZ LYS 61 2.112 13.426 -5.351 494 H MET 62 H MET 62 0.040 8.441 1.109 495 HA MET 62 HA MET 62 -1.788 6.209 1.499 496 HB2 MET 62 1HB MET 62 -0.247 7.066 3.308 497 HB3 MET 62 2HB MET 62 -1.208 8.537 3.344 498 HG2 MET 62 1HG MET 62 -3.188 7.164 3.933 499 HG3 MET 62 2HG MET 62 -2.131 5.758 4.030 500 HE1 MET 62 3HE MET 62 0.515 7.086 5.277 501 HE2 MET 62 1HE MET 62 -0.139 5.532 5.794 502 HE3 MET 62 2HE MET 62 0.246 6.769 6.991 503 H SER 63 H SER 63 -4.039 6.605 2.156 504 HA SER 63 HA SER 63 -5.571 8.136 0.506 505 HB2 SER 63 1HB SER 63 -7.270 8.010 2.480 506 HB3 SER 63 2HB SER 63 -6.710 6.519 1.722 507 HG SER 63 HG SER 63 -6.214 7.534 4.263 508 H ASP 64 H ASP 64 -4.055 9.175 3.495 509 HA ASP 64 HA ASP 64 -5.487 11.617 3.752 510 HB2 ASP 64 1HB ASP 64 -4.397 10.575 5.673 511 HB3 ASP 64 2HB ASP 64 -2.822 10.774 4.912 512 H GLY 65 H GLY 65 -2.829 10.642 1.805 513 HA2 GLY 65 1HA GLY 65 -2.166 12.105 -0.025 514 HA3 GLY 65 2HA GLY 65 -2.327 13.461 1.083 515 H THR 66 H THR 66 -1.043 11.242 2.969 516 HA THR 66 HA THR 66 1.545 12.330 3.042 517 HB THR 66 HB THR 66 0.696 9.636 4.114 518 HG1 THR 66 HG1 THR 66 0.430 12.239 5.273 519 HG21 THR 66 3HG2 THR 66 2.396 10.096 5.836 520 HG22 THR 66 1HG2 THR 66 2.820 11.593 5.004 521 HG23 THR 66 2HG2 THR 66 3.096 10.038 4.218 522 H VAL 67 H VAL 67 3.156 12.021 1.635 523 HA VAL 67 HA VAL 67 3.210 9.783 -0.168 524 HB VAL 67 HB VAL 67 5.297 11.909 0.375 525 HG11 VAL 67 1HG1 VAL 67 5.154 9.897 -1.871 526 HG12 VAL 67 2HG1 VAL 67 6.315 9.884 -0.544 527 HG13 VAL 67 3HG1 VAL 67 6.335 11.198 -1.721 528 HG21 VAL 67 3HG2 VAL 67 4.525 12.842 -1.778 529 HG22 VAL 67 1HG2 VAL 67 3.276 12.853 -0.534 530 HG23 VAL 67 2HG2 VAL 67 3.238 11.636 -1.810 531 H LEU 68 H LEU 68 4.142 7.870 0.163 532 HA LEU 68 HA LEU 68 5.485 7.463 2.727 533 HB2 LEU 68 1HB LEU 68 4.573 5.373 0.754 534 HB3 LEU 68 2HB LEU 68 4.979 5.139 2.443 535 HG LEU 68 HG LEU 68 2.580 6.660 1.410 536 HD11 LEU 68 1HD1 LEU 68 2.767 3.984 2.779 537 HD12 LEU 68 2HD1 LEU 68 2.402 4.250 1.074 538 HD13 LEU 68 3HD1 LEU 68 1.282 4.815 2.315 539 HD21 LEU 68 3HD2 LEU 68 1.879 6.750 3.740 540 HD22 LEU 68 1HD2 LEU 68 3.421 7.576 3.514 541 HD23 LEU 68 2HD2 LEU 68 3.379 5.965 4.233 542 H LEU 69 H LEU 69 7.626 7.201 2.855 543 HA LEU 69 HA LEU 69 9.153 6.788 0.400 544 HB2 LEU 69 1HB LEU 69 10.061 7.427 3.211 545 HB3 LEU 69 2HB LEU 69 11.116 7.300 1.817 546 HG LEU 69 HG LEU 69 8.931 9.358 2.168 547 HD11 LEU 69 1HD1 LEU 69 11.930 9.634 2.340 548 HD12 LEU 69 2HD1 LEU 69 10.807 9.703 3.698 549 HD13 LEU 69 3HD1 LEU 69 10.756 10.946 2.447 550 HD21 LEU 69 3HD2 LEU 69 9.903 10.393 0.180 551 HD22 LEU 69 1HD2 LEU 69 9.310 8.770 -0.171 552 HD23 LEU 69 2HD2 LEU 69 11.038 9.053 0.031 553 HA PRO 70 HA PRO 70 9.877 2.491 1.178 554 HB2 PRO 70 1HB PRO 70 12.416 2.282 0.147 555 HB3 PRO 70 2HB PRO 70 10.947 2.294 -0.833 556 HG2 PRO 70 1HG PRO 70 12.850 4.522 -0.244 557 HG3 PRO 70 2HG PRO 70 12.035 4.112 -1.766 558 HD2 PRO 70 1HD PRO 70 11.179 6.117 -0.191 559 HD3 PRO 70 2HD PRO 70 10.052 5.108 -1.122 560 H ASN 71 H ASN 71 10.663 1.307 2.805 561 HA ASN 71 HA ASN 71 11.905 0.581 4.559 562 HB2 ASN 71 1HB ASN 71 13.860 2.649 3.574 563 HB3 ASN 71 2HB ASN 71 14.163 1.671 5.006 564 HD21 ASN 71 2HD2 ASN 71 12.897 -0.701 3.978 565 HD22 ASN 71 1HD2 ASN 71 13.957 -1.339 2.775 566 H ASP 72 H ASP 72 10.566 3.626 4.379 567 HA ASP 72 HA ASP 72 11.152 4.262 7.169 568 HB2 ASP 72 1HB ASP 72 11.130 6.067 5.407 569 HB3 ASP 72 2HB ASP 72 9.396 5.806 5.250 570 H LEU 73 H LEU 73 9.303 4.722 8.637 571 HA LEU 73 HA LEU 73 7.226 2.681 8.160 572 HB2 LEU 73 1HB LEU 73 8.888 2.219 9.982 573 HB3 LEU 73 2HB LEU 73 8.271 3.625 10.826 574 HG LEU 73 HG LEU 73 6.026 2.543 10.896 575 HD11 LEU 73 1HD1 LEU 73 6.266 1.076 8.974 576 HD12 LEU 73 2HD1 LEU 73 5.885 0.143 10.421 577 HD13 LEU 73 3HD1 LEU 73 7.535 0.174 9.801 578 HD21 LEU 73 3HD2 LEU 73 7.520 2.413 12.810 579 HD22 LEU 73 1HD2 LEU 73 8.293 0.983 12.127 580 HD23 LEU 73 2HD2 LEU 73 6.605 0.915 12.634 581 H TYR 74 H TYR 74 5.205 3.330 8.076 582 HA TYR 74 HA TYR 74 4.476 5.901 9.326 583 HB2 TYR 74 1HB TYR 74 3.402 4.797 6.718 584 HB3 TYR 74 2HB TYR 74 2.942 6.322 7.466 585 HD1 TYR 74 HD2 TYR 74 4.575 8.190 7.563 586 HD2 TYR 74 HD1 TYR 74 5.380 4.598 5.425 587 HE1 TYR 74 HE2 TYR 74 6.383 9.327 6.343 588 HE2 TYR 74 HE1 TYR 74 7.190 5.724 4.203 589 HH TYR 74 HH TYR 74 8.566 8.530 5.168 590 HA PRO 75 HA PRO 75 1.194 3.439 11.096 591 HB2 PRO 75 1HB PRO 75 -0.190 5.825 11.909 592 HB3 PRO 75 2HB PRO 75 0.797 4.747 12.898 593 HG2 PRO 75 1HG PRO 75 1.479 7.338 12.272 594 HG3 PRO 75 2HG PRO 75 2.644 6.079 12.711 595 HD2 PRO 75 1HD PRO 75 1.891 7.103 10.003 596 HD3 PRO 75 2HD PRO 75 3.490 6.647 10.635 597 H LEU 76 H LEU 76 -0.778 2.707 10.465 598 HA LEU 76 HA LEU 76 -1.972 3.890 8.103 599 HB2 LEU 76 1HB LEU 76 -2.709 1.435 9.705 600 HB3 LEU 76 2HB LEU 76 -3.509 1.929 8.226 601 HG LEU 76 HG LEU 76 -0.599 1.152 8.455 602 HD11 LEU 76 1HD1 LEU 76 -1.270 -0.836 7.189 603 HD12 LEU 76 2HD1 LEU 76 -2.955 -0.326 7.291 604 HD13 LEU 76 3HD1 LEU 76 -2.075 -0.757 8.757 605 HD21 LEU 76 3HD2 LEU 76 -0.644 1.216 5.999 606 HD22 LEU 76 1HD2 LEU 76 -0.973 2.799 6.703 607 HD23 LEU 76 2HD2 LEU 76 -2.297 1.831 6.054 608 HA PRO 77 HA PRO 77 -4.904 6.329 10.248 609 HB2 PRO 77 1HB PRO 77 -6.801 6.630 8.351 610 HB3 PRO 77 2HB PRO 77 -5.211 7.393 8.235 611 HG2 PRO 77 1HG PRO 77 -6.207 4.885 6.935 612 HG3 PRO 77 2HG PRO 77 -5.248 6.203 6.235 613 HD2 PRO 77 1HD PRO 77 -4.151 3.865 7.064 614 HD3 PRO 77 2HD PRO 77 -3.280 5.410 7.125 615 H GLY 78 H GLY 78 -5.651 3.138 9.348 616 HA2 GLY 78 1HA GLY 78 -7.221 2.442 11.419 617 HA3 GLY 78 2HA GLY 78 -8.379 3.177 10.317 618 H GLU 79 H GLU 79 -9.156 0.842 10.648 619 HA GLU 79 HA GLU 79 -7.855 -1.275 9.312 620 HB2 GLU 79 1HB GLU 79 -10.832 -1.004 9.766 621 HB3 GLU 79 2HB GLU 79 -9.937 -2.491 9.498 622 HG2 GLU 79 1HG GLU 79 -10.246 -2.568 11.756 623 HG3 GLU 79 2HG GLU 79 -8.674 -1.775 11.668 624 H THR 80 H THR 80 -10.215 1.109 8.241 625 HA THR 80 HA THR 80 -10.152 -0.057 5.547 626 HB THR 80 HB THR 80 -12.176 1.493 5.204 627 HG1 THR 80 HG1 THR 80 -13.086 1.499 7.663 628 HG21 THR 80 3HG2 THR 80 -13.717 -0.139 6.200 629 HG22 THR 80 1HG2 THR 80 -12.395 -0.805 7.156 630 HG23 THR 80 2HG2 THR 80 -12.367 -0.944 5.399 631 H PHE 81 H PHE 81 -8.825 0.912 4.170 632 HA PHE 81 HA PHE 81 -8.820 3.792 3.960 633 HB2 PHE 81 1HB PHE 81 -6.386 4.036 4.188 634 HB3 PHE 81 2HB PHE 81 -7.119 3.469 5.682 635 HD1 PHE 81 HD1 PHE 81 -6.940 1.017 6.250 636 HD2 PHE 81 HD2 PHE 81 -4.670 2.837 3.144 637 HE1 PHE 81 HE1 PHE 81 -5.346 -0.855 6.323 638 HE2 PHE 81 HE2 PHE 81 -3.074 0.968 3.207 639 HZ PHE 81 HZ PHE 81 -3.412 -0.884 4.799 640 H ARG 82 H ARG 82 -6.830 4.285 2.303 641 HA ARG 82 HA ARG 82 -6.697 2.273 0.215 642 HB2 ARG 82 1HB ARG 82 -7.288 4.211 -1.457 643 HB3 ARG 82 2HB ARG 82 -8.568 3.270 -0.705 644 HG2 ARG 82 1HG ARG 82 -9.104 4.994 0.794 645 HG3 ARG 82 2HG ARG 82 -7.609 5.863 0.458 646 HD2 ARG 82 1HD ARG 82 -9.648 6.863 -0.568 647 HD3 ARG 82 2HD ARG 82 -8.364 6.486 -1.709 648 HE ARG 82 HE ARG 82 -9.679 4.731 -2.574 649 HH11 ARG 82 1HH1 ARG 82 -11.317 6.433 0.007 650 HH12 ARG 82 2HH1 ARG 82 -12.910 5.988 -0.536 651 HH21 ARG 82 1HH2 ARG 82 -11.747 4.184 -3.328 652 HH22 ARG 82 2HH2 ARG 82 -13.161 4.705 -2.441 653 H LEU 83 H LEU 83 -4.920 2.496 -1.099 654 HA LEU 83 HA LEU 83 -3.036 4.621 -0.316 655 HB2 LEU 83 1HB LEU 83 -2.500 1.888 -1.484 656 HB3 LEU 83 2HB LEU 83 -1.271 3.088 -1.134 657 HG LEU 83 HG LEU 83 -3.057 1.783 0.919 658 HD11 LEU 83 1HD1 LEU 83 -0.150 1.328 0.264 659 HD12 LEU 83 2HD1 LEU 83 -1.475 0.201 -0.024 660 HD13 LEU 83 3HD1 LEU 83 -1.019 0.624 1.628 661 HD21 LEU 83 3HD2 LEU 83 -0.698 3.637 1.242 662 HD22 LEU 83 1HD2 LEU 83 -1.571 2.835 2.550 663 HD23 LEU 83 2HD2 LEU 83 -2.386 4.040 1.552 664 H TYR 84 H TYR 84 -2.709 6.147 -1.787 665 HA TYR 84 HA TYR 84 -3.620 5.724 -4.514 666 HB2 TYR 84 1HB TYR 84 -2.532 8.184 -3.126 667 HB3 TYR 84 2HB TYR 84 -3.085 8.146 -4.797 668 HD1 TYR 84 HD1 TYR 84 -5.543 7.385 -5.173 669 HD2 TYR 84 HD2 TYR 84 -4.015 8.722 -1.436 670 HE1 TYR 84 HE1 TYR 84 -7.827 7.907 -4.434 671 HE2 TYR 84 HE2 TYR 84 -6.296 9.248 -0.687 672 HH TYR 84 HH TYR 84 -8.474 9.731 -1.613 673 H TYR 85 H TYR 85 -2.124 4.421 -5.521 674 HA TYR 85 HA TYR 85 0.673 5.081 -5.323 675 HB2 TYR 85 1HB TYR 85 0.156 2.739 -5.619 676 HB3 TYR 85 2HB TYR 85 -0.746 3.082 -7.097 677 HD1 TYR 85 HD1 TYR 85 2.665 3.530 -5.634 678 HD2 TYR 85 HD2 TYR 85 0.332 2.886 -9.137 679 HE1 TYR 85 HE1 TYR 85 4.724 3.366 -6.969 680 HE2 TYR 85 HE2 TYR 85 2.382 2.714 -10.474 681 HH TYR 85 HH TYR 85 5.417 2.307 -9.196 682 H THR 86 H THR 86 1.671 6.542 -6.451 683 HA THR 86 HA THR 86 0.460 7.571 -8.910 684 HB THR 86 HB THR 86 2.835 8.681 -7.399 685 HG1 THR 86 HG1 THR 86 0.424 8.574 -6.501 686 HG21 THR 86 3HG2 THR 86 2.301 10.741 -8.626 687 HG22 THR 86 1HG2 THR 86 0.984 9.903 -9.452 688 HG23 THR 86 2HG2 THR 86 2.654 9.412 -9.731 689 H SER 87 H SER 87 1.073 6.544 -10.674 690 HA SER 87 HA SER 87 3.351 4.834 -10.743 691 HB2 SER 87 1HB SER 87 1.666 5.734 -13.086 692 HB3 SER 87 2HB SER 87 2.620 4.256 -12.951 693 HG SER 87 HG SER 87 0.134 4.429 -12.434 694 H ALA 88 H ALA 88 5.350 5.679 -10.820 695 HA ALA 88 HA ALA 88 5.870 7.997 -12.511 696 HB1 ALA 88 3HB ALA 88 7.761 6.459 -10.736 697 HB2 ALA 88 1HB ALA 88 6.873 7.909 -10.270 698 HB3 ALA 88 2HB ALA 88 8.092 7.994 -11.541 699 H SER 89 H SER 89 5.964 4.618 -12.637 700 HA SER 89 HA SER 89 7.392 4.728 -15.191 701 HB2 SER 89 1HB SER 89 7.823 2.562 -13.120 702 HB3 SER 89 2HB SER 89 8.657 2.735 -14.663 703 HG SER 89 HG SER 89 9.135 3.953 -12.262 704 H THR 90 H THR 90 6.542 3.436 -16.766 705 HA THR 90 HA THR 90 4.301 1.689 -16.023 706 HB THR 90 HB THR 90 5.076 2.758 -18.759 707 HG1 THR 90 HG1 THR 90 2.808 3.482 -17.194 708 HG21 THR 90 3HG2 THR 90 2.607 1.273 -17.851 709 HG22 THR 90 1HG2 THR 90 3.866 0.642 -18.910 710 HG23 THR 90 2HG2 THR 90 2.850 1.979 -19.449 711 H ASP 91 H ASP 91 7.537 1.631 -16.530 712 HA ASP 91 HA ASP 91 7.919 -0.755 -18.027 713 HB2 ASP 91 1HB ASP 91 9.691 0.519 -15.930 714 HB3 ASP 91 2HB ASP 91 10.185 -0.755 -17.038 715 H GLN 92 H GLN 92 9.180 -2.643 -16.780 716 HA GLN 92 HA GLN 92 7.202 -3.720 -15.018 717 HB2 GLN 92 1HB GLN 92 8.436 -5.126 -16.655 718 HB3 GLN 92 2HB GLN 92 9.901 -4.884 -15.712 719 HG2 GLN 92 1HG GLN 92 8.970 -6.034 -13.838 720 HG3 GLN 92 2HG GLN 92 7.389 -6.116 -14.611 721 HE21 GLN 92 2HE2 GLN 92 7.060 -7.554 -16.304 722 HE22 GLN 92 1HE2 GLN 92 8.126 -8.897 -16.582 723 H GLN 93 H GLN 93 7.069 -2.837 -13.112 724 HA GLN 93 HA GLN 93 9.513 -2.595 -11.494 725 HB2 GLN 93 1HB GLN 93 8.236 -0.862 -10.207 726 HB3 GLN 93 2HB GLN 93 8.609 -0.410 -11.866 727 HG2 GLN 93 1HG GLN 93 6.381 -0.808 -12.567 728 HG3 GLN 93 2HG GLN 93 5.970 -1.584 -11.037 729 HE21 GLN 93 2HE2 GLN 93 4.785 0.724 -12.412 730 HE22 GLN 93 1HE2 GLN 93 4.828 2.010 -11.258 731 H THR 94 H THR 94 9.412 -3.226 -9.344 732 HA THR 94 HA THR 94 7.079 -4.870 -8.620 733 HB THR 94 HB THR 94 9.970 -5.471 -7.943 734 HG1 THR 94 HG1 THR 94 9.585 -5.813 -10.174 735 HG21 THR 94 3HG2 THR 94 8.387 -6.343 -6.306 736 HG22 THR 94 1HG2 THR 94 9.076 -7.662 -7.252 737 HG23 THR 94 2HG2 THR 94 7.442 -7.093 -7.593 738 H VAL 95 H VAL 95 6.096 -4.038 -6.839 739 HA VAL 95 HA VAL 95 7.848 -2.681 -4.880 740 HB VAL 95 HB VAL 95 4.916 -2.117 -5.356 741 HG11 VAL 95 1HG1 VAL 95 5.319 -0.158 -3.925 742 HG12 VAL 95 2HG1 VAL 95 6.963 -0.724 -3.633 743 HG13 VAL 95 3HG1 VAL 95 5.588 -1.678 -3.074 744 HG21 VAL 95 3HG2 VAL 95 5.664 0.020 -6.314 745 HG22 VAL 95 1HG2 VAL 95 6.202 -1.365 -7.265 746 HG23 VAL 95 2HG2 VAL 95 7.336 -0.532 -6.203 747 H ASP 96 H ASP 96 7.972 -3.626 -2.962 748 HA ASP 96 HA ASP 96 5.942 -5.647 -2.277 749 HB2 ASP 96 1HB ASP 96 8.374 -6.353 -2.611 750 HB3 ASP 96 2HB ASP 96 8.734 -5.451 -1.145 751 H VAL 97 H VAL 97 4.536 -4.926 -0.830 752 HA VAL 97 HA VAL 97 5.374 -2.768 0.986 753 HB VAL 97 HB VAL 97 2.561 -3.607 0.261 754 HG11 VAL 97 1HG1 VAL 97 1.910 -1.483 1.285 755 HG12 VAL 97 2HG1 VAL 97 3.590 -1.179 1.723 756 HG13 VAL 97 3HG1 VAL 97 2.723 -2.536 2.443 757 HG21 VAL 97 3HG2 VAL 97 2.506 -1.554 -1.100 758 HG22 VAL 97 1HG2 VAL 97 3.691 -2.717 -1.693 759 HG23 VAL 97 2HG2 VAL 97 4.221 -1.310 -0.773 760 H TYR 98 H TYR 98 5.683 -3.234 3.062 761 HA TYR 98 HA TYR 98 4.578 -5.740 4.104 762 HB2 TYR 98 1HB TYR 98 6.722 -3.961 5.293 763 HB3 TYR 98 2HB TYR 98 6.237 -5.546 5.885 764 HD1 TYR 98 HD1 TYR 98 6.673 -7.562 4.448 765 HD2 TYR 98 HD2 TYR 98 8.315 -3.740 3.570 766 HE1 TYR 98 HE1 TYR 98 8.336 -8.618 2.977 767 HE2 TYR 98 HE2 TYR 98 9.983 -4.784 2.099 768 HH TYR 98 HH TYR 98 9.705 -7.851 0.931 769 H PHE 99 H PHE 99 2.879 -5.676 5.373 770 HA PHE 99 HA PHE 99 2.315 -3.222 6.905 771 HB2 PHE 99 1HB PHE 99 0.496 -5.494 6.070 772 HB3 PHE 99 2HB PHE 99 0.015 -4.210 7.170 773 HD1 PHE 99 HD1 PHE 99 0.007 -1.835 6.311 774 HD2 PHE 99 HD2 PHE 99 0.349 -5.220 3.754 775 HE1 PHE 99 HE1 PHE 99 -0.725 -0.463 4.403 776 HE2 PHE 99 HE2 PHE 99 -0.375 -3.851 1.842 777 HZ PHE 99 HZ PHE 99 -0.912 -1.470 2.164 778 H GLN 100 H GLN 100 2.809 -3.311 9.001 779 HA GLN 100 HA GLN 100 2.604 -5.906 10.358 780 HB2 GLN 100 1HB GLN 100 4.653 -5.466 11.614 781 HB3 GLN 100 2HB GLN 100 4.982 -5.512 9.889 782 HG2 GLN 100 1HG GLN 100 5.075 -3.100 9.811 783 HG3 GLN 100 2HG GLN 100 4.646 -3.005 11.517 784 HE21 GLN 100 2HE2 GLN 100 7.017 -2.016 10.132 785 HE22 GLN 100 1HE2 GLN 100 8.370 -2.749 10.920 786 H ASP 101 H ASP 101 1.905 -5.810 12.481 787 HA ASP 101 HA ASP 101 1.234 -3.146 13.511 788 HB2 ASP 101 1HB ASP 101 -0.991 -3.512 13.526 789 HB3 ASP 101 2HB ASP 101 -0.642 -4.766 12.343 790 H SER 102 H SER 102 0.332 -3.441 15.877 791 HA SER 102 HA SER 102 2.563 -4.558 17.299 792 HB2 SER 102 1HB SER 102 1.434 -2.386 17.878 793 HB3 SER 102 2HB SER 102 0.064 -3.323 18.473 794 HG SER 102 HG SER 102 2.250 -4.342 19.569 795 H PHE 103 H PHE 103 -0.432 -5.817 16.334 796 HA PHE 103 HA PHE 103 -0.786 -7.653 18.521 797 HB2 PHE 103 1HB PHE 103 -2.747 -7.027 17.289 798 HB3 PHE 103 2HB PHE 103 -1.998 -7.441 15.755 799 HD1 PHE 103 HD2 PHE 103 -3.583 -8.766 18.779 800 HD2 PHE 103 HD1 PHE 103 -1.964 -9.698 14.962 801 HE1 PHE 103 HE2 PHE 103 -4.609 -10.999 18.896 802 HE2 PHE 103 HE1 PHE 103 -2.990 -11.930 15.065 803 HZ PHE 103 HZ PHE 103 -4.313 -12.585 17.036 804 H GLY 104 H GLY 104 1.037 -7.535 15.602 805 HA2 GLY 104 1HA GLY 104 2.960 -9.080 15.539 806 HA3 GLY 104 2HA GLY 104 1.843 -10.346 16.031 807 H GLN 105 H GLN 105 0.291 -8.281 13.927 808 HA GLN 105 HA GLN 105 0.240 -10.197 11.817 809 HB2 GLN 105 1HB GLN 105 -1.663 -8.737 12.249 810 HB3 GLN 105 2HB GLN 105 -0.678 -7.320 11.928 811 HG2 GLN 105 1HG GLN 105 -0.358 -8.249 9.594 812 HG3 GLN 105 2HG GLN 105 -1.650 -9.381 9.985 813 HE21 GLN 105 2HE2 GLN 105 -2.975 -7.360 11.689 814 HE22 GLN 105 1HE2 GLN 105 -3.752 -6.279 10.589 815 H LEU 106 H LEU 106 1.488 -10.348 10.047 816 HA LEU 106 HA LEU 106 2.833 -7.974 9.050 817 HB2 LEU 106 1HB LEU 106 4.518 -9.058 10.455 818 HB3 LEU 106 2HB LEU 106 4.273 -10.573 9.608 819 HG LEU 106 HG LEU 106 5.168 -9.584 7.548 820 HD11 LEU 106 1HD1 LEU 106 6.189 -7.371 7.577 821 HD12 LEU 106 2HD1 LEU 106 5.640 -7.128 9.235 822 HD13 LEU 106 3HD1 LEU 106 4.463 -7.271 7.930 823 HD21 LEU 106 3HD2 LEU 106 7.486 -9.380 8.261 824 HD22 LEU 106 1HD2 LEU 106 6.684 -10.694 9.122 825 HD23 LEU 106 2HD2 LEU 106 6.967 -9.153 9.933 826 H GLN 107 H GLN 107 2.102 -7.808 7.066 827 HA GLN 107 HA GLN 107 1.926 -10.248 5.428 828 HB2 GLN 107 1HB GLN 107 -0.008 -7.925 5.475 829 HB3 GLN 107 2HB GLN 107 0.005 -9.160 4.224 830 HG2 GLN 107 1HG GLN 107 -0.358 -10.854 6.044 831 HG3 GLN 107 2HG GLN 107 -0.623 -9.500 7.141 832 HE21 GLN 107 2HE2 GLN 107 -1.847 -11.269 4.426 833 HE22 GLN 107 1HE2 GLN 107 -3.446 -10.620 4.459 834 H GLN 108 H GLN 108 3.032 -10.178 3.603 835 HA GLN 108 HA GLN 108 4.013 -7.568 2.698 836 HB2 GLN 108 1HB GLN 108 5.794 -8.789 1.518 837 HB3 GLN 108 2HB GLN 108 5.824 -9.086 3.246 838 HG2 GLN 108 1HG GLN 108 4.601 -10.978 1.253 839 HG3 GLN 108 2HG GLN 108 6.274 -11.071 1.793 840 HE21 GLN 108 2HE2 GLN 108 6.710 -11.711 3.911 841 HE22 GLN 108 1HE2 GLN 108 5.531 -12.512 4.885 842 H LEU 109 H LEU 109 2.911 -6.739 1.100 843 HA LEU 109 HA LEU 109 1.655 -8.551 -0.849 844 HB2 LEU 109 1HB LEU 109 1.135 -5.605 -0.423 845 HB3 LEU 109 2HB LEU 109 0.236 -6.681 -1.472 846 HG LEU 109 HG LEU 109 0.291 -6.752 1.545 847 HD11 LEU 109 1HD1 LEU 109 -1.029 -4.934 0.572 848 HD12 LEU 109 2HD1 LEU 109 -2.046 -6.134 1.369 849 HD13 LEU 109 3HD1 LEU 109 -1.926 -6.110 -0.389 850 HD21 LEU 109 3HD2 LEU 109 -1.171 -8.542 -0.394 851 HD22 LEU 109 1HD2 LEU 109 -1.402 -8.520 1.355 852 HD23 LEU 109 2HD2 LEU 109 0.148 -9.019 0.674 853 H THR 110 H THR 110 2.918 -8.908 -2.529 854 HA THR 110 HA THR 110 4.742 -6.785 -3.419 855 HB THR 110 HB THR 110 4.816 -9.645 -4.355 856 HG1 THR 110 HG1 THR 110 5.765 -8.541 -1.900 857 HG21 THR 110 3HG2 THR 110 6.201 -8.048 -5.557 858 HG22 THR 110 1HG2 THR 110 7.216 -9.144 -4.621 859 HG23 THR 110 2HG2 THR 110 6.923 -7.503 -4.042 860 H PHE 111 H PHE 111 3.977 -5.597 -5.072 861 HA PHE 111 HA PHE 111 2.411 -7.020 -7.109 862 HB2 PHE 111 1HB PHE 111 1.138 -4.973 -7.536 863 HB3 PHE 111 2HB PHE 111 0.952 -5.537 -5.889 864 HD1 PHE 111 HD1 PHE 111 2.134 -4.330 -4.039 865 HD2 PHE 111 HD2 PHE 111 1.913 -2.810 -8.006 866 HE1 PHE 111 HE1 PHE 111 2.634 -2.073 -3.201 867 HE2 PHE 111 HE2 PHE 111 2.424 -0.555 -7.175 868 HZ PHE 111 HZ PHE 111 2.780 -0.179 -4.769 869 H SER 112 H SER 112 3.092 -6.971 -9.085 870 HA SER 112 HA SER 112 5.193 -5.049 -9.817 871 HB2 SER 112 1HB SER 112 6.007 -6.958 -11.340 872 HB3 SER 112 2HB SER 112 6.319 -7.112 -9.611 873 HG SER 112 HG SER 112 4.280 -8.369 -9.574 874 H PHE 113 H PHE 113 5.083 -4.142 -11.836 875 HA PHE 113 HA PHE 113 2.603 -4.681 -13.332 876 HB2 PHE 113 1HB PHE 113 4.179 -2.110 -13.085 877 HB3 PHE 113 2HB PHE 113 2.802 -2.331 -14.156 878 HD1 PHE 113 HD1 PHE 113 0.588 -3.075 -13.021 879 HD2 PHE 113 HD2 PHE 113 3.856 -1.300 -10.954 880 HE1 PHE 113 HE1 PHE 113 -0.931 -2.395 -11.208 881 HE2 PHE 113 HE2 PHE 113 2.346 -0.622 -9.136 882 HZ PHE 113 HZ PHE 113 -0.051 -1.171 -9.262 883 H ASN 114 H ASN 114 2.699 -4.262 -15.629 884 HA ASN 114 HA ASN 114 3.573 -4.135 -17.717 885 HB2 ASN 114 1HB ASN 114 5.327 -2.637 -16.806 886 HB3 ASN 114 2HB ASN 114 6.313 -4.051 -16.452 887 HD21 ASN 114 2HD2 ASN 114 5.333 -1.806 -18.804 888 HD22 ASN 114 1HD2 ASN 114 6.238 -2.456 -20.135 889 H ASN 115 H ASN 115 3.565 -5.738 -19.027 890 HA ASN 115 HA ASN 115 5.378 -8.004 -18.693 891 HB2 ASN 115 1HB ASN 115 3.065 -8.545 -17.704 892 HB3 ASN 115 2HB ASN 115 2.439 -8.401 -19.340 893 HD21 ASN 115 2HD2 ASN 115 2.816 -10.015 -20.805 894 HD22 ASN 115 1HD2 ASN 115 3.532 -11.536 -20.381 895 H ASP 116 H ASP 116 5.663 -5.822 -20.305 896 HA ASP 116 HA ASP 116 4.802 -6.713 -22.977 897 HB2 ASP 116 1HB ASP 116 3.347 -4.884 -22.035 898 HB3 ASP 116 2HB ASP 116 4.767 -3.846 -22.020 899 H SER 117 H SER 117 6.243 -6.379 -24.614 900 HA SER 117 HA SER 117 8.208 -6.015 -25.678 901 HB2 SER 117 1HB SER 117 8.437 -3.783 -23.651 902 HB3 SER 117 2HB SER 117 9.569 -4.015 -24.981 903 HG SER 117 HG SER 117 8.181 -3.154 -26.290 904 H SER 118 H SER 118 10.708 -5.673 -25.168 905 HA SER 118 HA SER 118 11.502 -6.900 -22.650 906 HB2 SER 118 1HB SER 118 12.370 -8.017 -25.332 907 HB3 SER 118 2HB SER 118 12.944 -8.551 -23.755 908 HG SER 118 HG SER 118 10.315 -8.650 -23.665 909 H LYS 119 H LYS 119 13.158 -6.331 -25.752 910 HA LYS 119 HA LYS 119 14.809 -4.905 -26.389 911 HB2 LYS 119 1HB LYS 119 13.197 -3.218 -25.413 912 HB3 LYS 119 2HB LYS 119 14.126 -3.289 -23.926 913 HG2 LYS 119 1HG LYS 119 16.132 -2.634 -25.391 914 HG3 LYS 119 2HG LYS 119 14.921 -2.183 -26.593 915 HD2 LYS 119 1HD LYS 119 15.165 -1.106 -23.785 916 HD3 LYS 119 2HD LYS 119 15.538 -0.245 -25.278 917 HE2 LYS 119 1HE LYS 119 13.207 -0.350 -25.948 918 HE3 LYS 119 2HE LYS 119 12.813 -1.283 -24.504 919 HZ1 LYS 119 3HZ LYS 119 12.230 1.003 -24.149 920 HZ2 LYS 119 1HZ LYS 119 13.783 1.526 -24.588 921 HZ3 LYS 119 2HZ LYS 119 13.557 0.632 -23.165 922 H GLU 120 H GLU 120 15.047 -6.984 -24.070 923 HA GLU 120 HA GLU 120 16.553 -7.775 -22.580 924 HB2 GLU 120 1HB GLU 120 18.508 -6.056 -24.127 925 HB3 GLU 120 2HB GLU 120 18.941 -7.323 -22.988 926 HG2 GLU 120 1HG GLU 120 17.943 -8.999 -24.405 927 HG3 GLU 120 2HG GLU 120 17.374 -7.757 -25.518 928 H GLU 121 H GLU 121 15.304 -6.579 -21.063 929 HA GLU 121 HA GLU 121 15.626 -3.909 -20.404 930 HB2 GLU 121 1HB GLU 121 14.851 -5.976 -18.363 931 HB3 GLU 121 2HB GLU 121 14.296 -4.317 -18.501 932 HG2 GLU 121 1HG GLU 121 12.468 -5.475 -19.239 933 HG3 GLU 121 2HG GLU 121 13.290 -5.128 -20.760 934 H GLU 122 H GLU 122 17.215 -2.828 -19.497 935 HA GLU 122 HA GLU 122 18.957 -4.196 -17.567 936 HB2 GLU 122 1HB GLU 122 20.120 -3.072 -19.446 937 HB3 GLU 122 2HB GLU 122 19.375 -1.548 -18.980 938 HG2 GLU 122 1HG GLU 122 20.517 -1.712 -16.791 939 HG3 GLU 122 2HG GLU 122 21.333 -3.163 -17.366 940 H LEU 123 H LEU 123 18.275 -3.946 -15.537 941 HA LEU 123 HA LEU 123 16.607 -1.685 -14.829 942 HB2 LEU 123 1HB LEU 123 17.504 -4.134 -13.338 943 HB3 LEU 123 2HB LEU 123 16.708 -2.808 -12.515 944 HG LEU 123 HG LEU 123 14.779 -3.109 -14.128 945 HD11 LEU 123 1HD1 LEU 123 14.572 -5.297 -15.212 946 HD12 LEU 123 2HD1 LEU 123 16.226 -5.680 -14.736 947 HD13 LEU 123 3HD1 LEU 123 15.916 -4.360 -15.865 948 HD21 LEU 123 3HD2 LEU 123 15.471 -5.377 -12.270 949 HD22 LEU 123 1HD2 LEU 123 13.862 -5.025 -12.903 950 HD23 LEU 123 2HD2 LEU 123 14.661 -3.872 -11.833 951 H GLU 124 H GLU 124 17.543 0.184 -14.419 952 HA GLU 124 HA GLU 124 20.260 0.258 -13.437 953 HB2 GLU 124 1HB GLU 124 19.626 1.796 -15.220 954 HB3 GLU 124 2HB GLU 124 18.395 2.512 -14.187 955 HG2 GLU 124 1HG GLU 124 20.479 3.847 -14.363 956 HG3 GLU 124 2HG GLU 124 20.046 3.405 -12.711 957 H HIS 125 H HIS 125 20.364 -0.282 -11.394 958 HA HIS 125 HA HIS 125 19.381 1.678 -9.483 959 HB2 HIS 125 1HB HIS 125 17.725 -0.185 -9.443 960 HB3 HIS 125 2HB HIS 125 19.025 -1.313 -9.085 961 HD1 HIS 125 HD1 HIS 125 17.684 1.907 -7.494 962 HD2 HIS 125 HD2 HIS 125 19.170 -1.841 -6.454 963 HE1 HIS 125 HE1 HIS 125 17.572 1.800 -4.983 964 HE2 HIS 125 HE2 HIS 125 18.694 -0.377 -4.379 965 H HIS 126 H HIS 126 21.851 0.969 -10.865 966 HA HIS 126 HA HIS 126 23.511 -0.198 -8.752 967 HB2 HIS 126 1HB HIS 126 24.173 0.510 -11.621 968 HB3 HIS 126 2HB HIS 126 25.300 -0.209 -10.481 969 HD1 HIS 126 HD1 HIS 126 23.119 -1.116 -13.138 970 HD2 HIS 126 HD2 HIS 126 24.172 -2.832 -9.494 971 HE1 HIS 126 HE1 HIS 126 22.533 -3.552 -13.338 972 HE2 HIS 126 HE2 HIS 126 23.307 -4.599 -11.177 973 H HIS 127 H HIS 127 24.272 2.300 -11.124 974 HA HIS 127 HA HIS 127 25.370 4.281 -10.973 975 HB2 HIS 127 1HB HIS 127 23.740 4.460 -8.433 976 HB3 HIS 127 2HB HIS 127 24.642 5.804 -9.121 977 HD1 HIS 127 HD1 HIS 127 23.656 6.974 -11.178 978 HD2 HIS 127 HD2 HIS 127 21.379 3.773 -9.802 979 HE1 HIS 127 HE1 HIS 127 21.449 7.148 -12.364 980 HE2 HIS 127 HE2 HIS 127 20.016 5.341 -11.350 981 H HIS 128 H HIS 128 26.471 5.760 -9.005 982 HA HIS 128 HA HIS 128 28.055 3.956 -7.318 983 HB2 HIS 128 1HB HIS 128 29.114 6.272 -8.957 984 HB3 HIS 128 2HB HIS 128 30.025 5.489 -7.670 985 HD1 HIS 128 HD1 HIS 128 30.535 2.862 -8.083 986 HD2 HIS 128 HD2 HIS 128 29.339 5.073 -11.404 987 HE1 HIS 128 HE1 HIS 128 31.208 1.501 -10.087 988 HE2 HIS 128 HE2 HIS 128 30.588 2.904 -12.087 989 H HIS 129 H HIS 129 28.904 5.032 -5.381 990 HA HIS 129 HA HIS 129 26.850 6.837 -4.370 991 HB2 HIS 129 1HB HIS 129 29.128 5.463 -2.925 992 HB3 HIS 129 2HB HIS 129 27.808 6.343 -2.165 993 HD1 HIS 129 HD1 HIS 129 28.753 3.041 -3.476 994 HD2 HIS 129 HD2 HIS 129 25.261 4.999 -2.346 995 HE1 HIS 129 HE1 HIS 129 27.033 1.236 -3.174 996 HE2 HIS 129 HE2 HIS 129 24.988 2.421 -2.315 997 H HIS 130 H HIS 130 28.839 7.834 -6.240 998 HA HIS 130 HA HIS 130 30.166 9.627 -6.608 999 HB2 HIS 130 1HB HIS 130 29.364 10.384 -3.790 1000 HB3 HIS 130 2HB HIS 130 30.350 11.403 -4.832 1001 HD1 HIS 130 HD1 HIS 130 26.924 10.813 -3.890 1002 HD2 HIS 130 HD2 HIS 130 28.882 12.081 -7.335 1003 HE1 HIS 130 HE1 HIS 130 25.184 11.992 -5.265 1004 HE2 HIS 130 HE2 HIS 130 26.343 12.594 -7.420 Start of MODEL 7 1 H1 MET 1 1H MET 1 5.804 -31.453 1.077 2 H2 MET 1 2H MET 1 5.229 -32.131 -0.367 3 H3 MET 1 3H MET 1 4.484 -32.507 1.110 4 HA MET 1 HA MET 1 4.599 -29.761 0.037 5 HB2 MET 1 1HB MET 1 2.213 -30.122 -0.647 6 HB3 MET 1 2HB MET 1 3.381 -31.014 -1.608 7 HG2 MET 1 1HG MET 1 2.855 -33.055 -0.451 8 HG3 MET 1 2HG MET 1 1.795 -32.195 0.663 9 HE1 MET 1 3HE MET 1 0.915 -32.777 -3.833 10 HE2 MET 1 1HE MET 1 2.331 -33.438 -3.015 11 HE3 MET 1 2HE MET 1 2.172 -31.695 -3.235 12 H ASN 2 H ASN 2 4.730 -28.739 1.991 13 HA ASN 2 HA ASN 2 2.391 -28.783 3.650 14 HB2 ASN 2 1HB ASN 2 3.612 -29.388 5.756 15 HB3 ASN 2 2HB ASN 2 3.414 -30.722 4.628 16 HD21 ASN 2 2HD2 ASN 2 5.660 -28.604 6.192 17 HD22 ASN 2 1HD2 ASN 2 7.095 -29.412 5.673 18 H ASP 3 H ASP 3 3.310 -27.621 5.911 19 HA ASP 3 HA ASP 3 4.116 -25.737 6.897 20 HB2 ASP 3 1HB ASP 3 5.500 -25.201 4.262 21 HB3 ASP 3 2HB ASP 3 5.614 -24.147 5.666 22 H ASP 4 H ASP 4 3.586 -24.746 3.533 23 HA ASP 4 HA ASP 4 2.244 -23.190 2.588 24 HB2 ASP 4 1HB ASP 4 0.398 -24.165 4.766 25 HB3 ASP 4 2HB ASP 4 -0.103 -23.002 3.545 26 H VAL 5 H VAL 5 0.679 -22.404 5.586 27 HA VAL 5 HA VAL 5 2.355 -20.021 5.928 28 HB VAL 5 HB VAL 5 0.323 -18.614 6.262 29 HG11 VAL 5 1HG1 VAL 5 0.590 -19.848 3.522 30 HG12 VAL 5 2HG1 VAL 5 1.525 -18.492 4.155 31 HG13 VAL 5 3HG1 VAL 5 -0.210 -18.319 3.883 32 HG21 VAL 5 3HG2 VAL 5 -1.117 -20.994 5.096 33 HG22 VAL 5 1HG2 VAL 5 -1.822 -19.399 5.347 34 HG23 VAL 5 2HG2 VAL 5 -1.296 -20.357 6.732 35 H ASP 6 H ASP 6 1.164 -22.702 7.320 36 HA ASP 6 HA ASP 6 0.231 -21.410 9.773 37 HB2 ASP 6 1HB ASP 6 -1.205 -23.164 8.753 38 HB3 ASP 6 2HB ASP 6 0.078 -24.337 9.046 39 H ILE 7 H ILE 7 1.439 -21.256 11.463 40 HA ILE 7 HA ILE 7 3.567 -23.233 11.960 41 HB ILE 7 HB ILE 7 3.810 -20.236 12.311 42 HG12 ILE 7 1HG1 ILE 7 5.369 -22.117 10.526 43 HG13 ILE 7 2HG1 ILE 7 4.085 -21.045 9.980 44 HG21 ILE 7 1HG2 ILE 7 4.885 -21.395 14.147 45 HG22 ILE 7 2HG2 ILE 7 6.100 -20.699 13.076 46 HG23 ILE 7 3HG2 ILE 7 5.757 -22.427 13.013 47 HD11 ILE 7 3HD1 ILE 7 6.264 -20.110 9.492 48 HD12 ILE 7 1HD1 ILE 7 6.703 -20.197 11.197 49 HD13 ILE 7 2HD1 ILE 7 5.414 -19.114 10.673 50 H GLN 8 H GLN 8 1.968 -20.422 13.355 51 HA GLN 8 HA GLN 8 0.496 -21.833 15.287 52 HB2 GLN 8 1HB GLN 8 2.699 -22.037 16.419 53 HB3 GLN 8 2HB GLN 8 2.859 -20.284 16.391 54 HG2 GLN 8 1HG GLN 8 0.711 -20.185 17.702 55 HG3 GLN 8 2HG GLN 8 0.849 -21.930 17.901 56 HE21 GLN 8 2HE2 GLN 8 0.867 -19.799 19.872 57 HE22 GLN 8 1HE2 GLN 8 2.355 -19.959 20.751 58 H GLN 9 H GLN 9 2.244 -18.803 14.762 59 HA GLN 9 HA GLN 9 0.094 -17.111 15.536 60 HB2 GLN 9 1HB GLN 9 2.789 -16.787 14.881 61 HB3 GLN 9 2HB GLN 9 1.935 -15.956 13.589 62 HG2 GLN 9 1HG GLN 9 2.401 -14.349 15.250 63 HG3 GLN 9 2HG GLN 9 0.678 -14.700 15.347 64 HE21 GLN 9 2HE2 GLN 9 2.477 -13.574 17.341 65 HE22 GLN 9 1HE2 GLN 9 2.365 -14.616 18.727 66 H SER 10 H SER 10 1.499 -17.933 12.381 67 HA SER 10 HA SER 10 0.626 -18.336 10.346 68 HB2 SER 10 1HB SER 10 -1.891 -18.894 11.919 69 HB3 SER 10 2HB SER 10 -1.570 -19.420 10.267 70 HG SER 10 HG SER 10 -1.014 -21.126 11.544 71 H TYR 11 H TYR 11 0.042 -15.607 11.803 72 HA TYR 11 HA TYR 11 -0.936 -13.606 11.350 73 HB2 TYR 11 1HB TYR 11 -0.927 -14.548 8.479 74 HB3 TYR 11 2HB TYR 11 -0.852 -12.889 9.062 75 HD1 TYR 11 HD2 TYR 11 1.237 -12.274 10.506 76 HD2 TYR 11 HD1 TYR 11 1.032 -15.675 7.957 77 HE1 TYR 11 HE2 TYR 11 3.694 -12.388 10.464 78 HE2 TYR 11 HE1 TYR 11 3.485 -15.797 7.912 79 HH TYR 11 HH TYR 11 5.461 -14.050 10.050 80 HA PRO 12 HA PRO 12 -5.140 -15.429 11.117 81 HB2 PRO 12 1HB PRO 12 -6.123 -14.398 13.384 82 HB3 PRO 12 2HB PRO 12 -5.019 -15.779 13.388 83 HG2 PRO 12 1HG PRO 12 -4.437 -12.895 13.922 84 HG3 PRO 12 2HG PRO 12 -3.855 -14.333 14.783 85 HD2 PRO 12 1HD PRO 12 -2.398 -12.989 12.885 86 HD3 PRO 12 2HD PRO 12 -2.179 -14.706 13.275 87 H PHE 13 H PHE 13 -4.019 -12.511 10.389 88 HA PHE 13 HA PHE 13 -6.716 -11.382 10.066 89 HB2 PHE 13 1HB PHE 13 -5.849 -9.168 10.256 90 HB3 PHE 13 2HB PHE 13 -5.193 -10.082 11.607 91 HD1 PHE 13 HD2 PHE 13 -2.823 -11.191 11.102 92 HD2 PHE 13 HD1 PHE 13 -4.438 -7.812 9.080 93 HE1 PHE 13 HE2 PHE 13 -0.559 -10.509 10.438 94 HE2 PHE 13 HE1 PHE 13 -2.172 -7.126 8.411 95 HZ PHE 13 HZ PHE 13 -0.230 -8.475 9.091 96 H SER 14 H SER 14 -7.309 -10.689 8.055 97 HA SER 14 HA SER 14 -5.347 -11.134 5.911 98 HB2 SER 14 1HB SER 14 -7.490 -11.629 4.530 99 HB3 SER 14 2HB SER 14 -6.889 -12.867 5.633 100 HG SER 14 HG SER 14 -8.611 -12.657 6.819 101 H ILE 15 H ILE 15 -5.046 -9.546 4.468 102 HA ILE 15 HA ILE 15 -6.688 -7.137 4.785 103 HB ILE 15 HB ILE 15 -3.973 -7.425 3.491 104 HG12 ILE 15 1HG1 ILE 15 -4.781 -6.234 6.153 105 HG13 ILE 15 2HG1 ILE 15 -3.954 -7.771 5.935 106 HG21 ILE 15 1HG2 ILE 15 -5.622 -4.975 4.112 107 HG22 ILE 15 2HG2 ILE 15 -5.257 -5.609 2.509 108 HG23 ILE 15 3HG2 ILE 15 -3.963 -4.960 3.518 109 HD11 ILE 15 3HD1 ILE 15 -2.869 -5.061 5.221 110 HD12 ILE 15 1HD1 ILE 15 -2.038 -6.599 4.985 111 HD13 ILE 15 2HD1 ILE 15 -2.413 -6.039 6.616 112 H GLU 16 H GLU 16 -8.210 -6.848 3.351 113 HA GLU 16 HA GLU 16 -8.214 -8.342 0.865 114 HB2 GLU 16 1HB GLU 16 -10.212 -7.981 2.449 115 HB3 GLU 16 2HB GLU 16 -10.285 -6.355 1.785 116 HG2 GLU 16 1HG GLU 16 -11.857 -7.671 0.614 117 HG3 GLU 16 2HG GLU 16 -10.504 -7.379 -0.480 118 H THR 17 H THR 17 -7.271 -7.516 -0.895 119 HA THR 17 HA THR 17 -7.082 -4.587 -1.120 120 HB THR 17 HB THR 17 -5.257 -5.138 -2.822 121 HG1 THR 17 HG1 THR 17 -5.945 -7.426 -2.913 122 HG21 THR 17 3HG2 THR 17 -4.823 -5.942 0.060 123 HG22 THR 17 1HG2 THR 17 -4.752 -4.297 -0.576 124 HG23 THR 17 2HG2 THR 17 -3.557 -5.491 -1.084 125 H MET 18 H MET 18 -8.358 -3.645 -2.562 126 HA MET 18 HA MET 18 -9.937 -5.074 -4.430 127 HB2 MET 18 1HB MET 18 -9.328 -2.152 -4.050 128 HB3 MET 18 2HB MET 18 -10.284 -2.704 -5.414 129 HG2 MET 18 1HG MET 18 -11.755 -1.979 -3.685 130 HG3 MET 18 2HG MET 18 -11.882 -3.728 -3.840 131 HE1 MET 18 3HE MET 18 -12.945 -1.956 -1.358 132 HE2 MET 18 1HE MET 18 -12.491 -2.995 -0.007 133 HE3 MET 18 2HE MET 18 -13.174 -3.701 -1.470 134 HA PRO 19 HA PRO 19 -7.094 -5.813 -7.746 135 HB2 PRO 19 1HB PRO 19 -9.529 -5.384 -9.411 136 HB3 PRO 19 2HB PRO 19 -8.391 -6.737 -9.407 137 HG2 PRO 19 1HG PRO 19 -10.791 -6.992 -8.294 138 HG3 PRO 19 2HG PRO 19 -9.360 -7.717 -7.534 139 HD2 PRO 19 1HD PRO 19 -10.860 -5.242 -6.789 140 HD3 PRO 19 2HD PRO 19 -10.100 -6.461 -5.745 141 H VAL 20 H VAL 20 -5.729 -4.286 -8.317 142 HA VAL 20 HA VAL 20 -6.548 -1.580 -8.841 143 HB VAL 20 HB VAL 20 -4.161 -1.109 -9.093 144 HG11 VAL 20 1HG1 VAL 20 -3.421 -1.764 -6.851 145 HG12 VAL 20 2HG1 VAL 20 -4.753 -2.914 -6.752 146 HG13 VAL 20 3HG1 VAL 20 -5.087 -1.185 -6.846 147 HG21 VAL 20 3HG2 VAL 20 -2.492 -2.891 -8.825 148 HG22 VAL 20 1HG2 VAL 20 -3.481 -3.133 -10.265 149 HG23 VAL 20 2HG2 VAL 20 -3.784 -4.091 -8.817 150 HA PRO 21 HA PRO 21 -6.589 -1.628 -13.298 151 HB2 PRO 21 1HB PRO 21 -4.775 0.681 -13.407 152 HB3 PRO 21 2HB PRO 21 -6.454 0.550 -13.938 153 HG2 PRO 21 1HG PRO 21 -5.706 1.968 -11.760 154 HG3 PRO 21 2HG PRO 21 -7.286 1.176 -11.900 155 HD2 PRO 21 1HD PRO 21 -4.877 0.353 -10.347 156 HD3 PRO 21 2HD PRO 21 -6.597 0.154 -9.961 157 H LYS 22 H LYS 22 -5.463 -2.945 -14.586 158 HA LYS 22 HA LYS 22 -2.767 -3.635 -13.919 159 HB2 LYS 22 1HB LYS 22 -4.481 -4.522 -16.242 160 HB3 LYS 22 2HB LYS 22 -2.941 -5.237 -15.783 161 HG2 LYS 22 1HG LYS 22 -3.928 -5.835 -13.589 162 HG3 LYS 22 2HG LYS 22 -5.483 -5.234 -14.170 163 HD2 LYS 22 1HD LYS 22 -5.419 -7.623 -14.446 164 HD3 LYS 22 2HD LYS 22 -5.353 -6.864 -16.037 165 HE2 LYS 22 1HE LYS 22 -3.765 -8.661 -15.982 166 HE3 LYS 22 2HE LYS 22 -2.889 -7.133 -16.009 167 HZ1 LYS 22 3HZ LYS 22 -3.306 -8.947 -13.698 168 HZ2 LYS 22 1HZ LYS 22 -2.731 -7.361 -13.532 169 HZ3 LYS 22 2HZ LYS 22 -1.838 -8.492 -14.418 170 H LYS 23 H LYS 23 -4.295 -1.571 -16.255 171 HA LYS 23 HA LYS 23 -1.702 -1.097 -17.541 172 HB2 LYS 23 1HB LYS 23 -4.478 -0.261 -18.405 173 HB3 LYS 23 2HB LYS 23 -2.997 0.127 -19.269 174 HG2 LYS 23 1HG LYS 23 -2.586 -2.299 -19.552 175 HG3 LYS 23 2HG LYS 23 -4.156 -2.612 -18.809 176 HD2 LYS 23 1HD LYS 23 -5.228 -1.275 -20.583 177 HD3 LYS 23 2HD LYS 23 -3.650 -1.059 -21.344 178 HE2 LYS 23 1HE LYS 23 -4.847 -2.844 -22.447 179 HE3 LYS 23 2HE LYS 23 -3.459 -3.503 -21.580 180 HZ1 LYS 23 3HZ LYS 23 -5.514 -4.814 -21.306 181 HZ2 LYS 23 1HZ LYS 23 -6.240 -3.492 -20.533 182 HZ3 LYS 23 2HZ LYS 23 -4.893 -4.256 -19.832 183 H LEU 24 H LEU 24 -0.558 0.465 -16.667 184 HA LEU 24 HA LEU 24 -1.918 2.939 -15.871 185 HB2 LEU 24 1HB LEU 24 0.220 1.470 -14.327 186 HB3 LEU 24 2HB LEU 24 -0.243 3.128 -14.003 187 HG LEU 24 HG LEU 24 -2.128 0.778 -13.814 188 HD11 LEU 24 1HD1 LEU 24 -0.675 2.273 -11.637 189 HD12 LEU 24 2HD1 LEU 24 -0.367 0.609 -12.137 190 HD13 LEU 24 3HD1 LEU 24 -1.910 1.035 -11.395 191 HD21 LEU 24 3HD2 LEU 24 -2.387 3.642 -12.910 192 HD22 LEU 24 1HD2 LEU 24 -3.570 2.361 -12.646 193 HD23 LEU 24 2HD2 LEU 24 -3.218 2.911 -14.283 194 H LYS 25 H LYS 25 -0.611 4.829 -16.025 195 HA LYS 25 HA LYS 25 1.773 4.513 -17.726 196 HB2 LYS 25 1HB LYS 25 -0.375 6.640 -17.885 197 HB3 LYS 25 2HB LYS 25 1.136 6.686 -18.783 198 HG2 LYS 25 1HG LYS 25 0.523 4.680 -19.988 199 HG3 LYS 25 2HG LYS 25 -0.960 4.536 -19.036 200 HD2 LYS 25 1HD LYS 25 -1.780 6.626 -19.943 201 HD3 LYS 25 2HD LYS 25 -0.265 6.872 -20.815 202 HE2 LYS 25 1HE LYS 25 -0.702 4.873 -22.148 203 HE3 LYS 25 2HE LYS 25 -2.204 4.602 -21.263 204 HZ1 LYS 25 3HZ LYS 25 -2.532 5.701 -23.428 205 HZ2 LYS 25 1HZ LYS 25 -1.620 7.023 -22.884 206 HZ3 LYS 25 2HZ LYS 25 -3.090 6.635 -22.130 207 H VAL 26 H VAL 26 3.213 6.491 -17.627 208 HA VAL 26 HA VAL 26 3.832 7.060 -14.910 209 HB VAL 26 HB VAL 26 4.851 8.450 -17.399 210 HG11 VAL 26 1HG1 VAL 26 5.256 9.731 -15.358 211 HG12 VAL 26 2HG1 VAL 26 6.760 9.082 -16.011 212 HG13 VAL 26 3HG1 VAL 26 6.004 8.317 -14.613 213 HG21 VAL 26 3HG2 VAL 26 5.239 6.026 -17.441 214 HG22 VAL 26 1HG2 VAL 26 6.029 6.131 -15.868 215 HG23 VAL 26 2HG2 VAL 26 6.745 6.926 -17.270 216 H GLY 27 H GLY 27 2.682 8.369 -13.666 217 HA2 GLY 27 1HA GLY 27 2.033 10.680 -13.212 218 HA3 GLY 27 2HA GLY 27 1.533 10.800 -14.893 219 H GLU 28 H GLU 28 0.531 7.858 -14.283 220 HA GLU 28 HA GLU 28 -2.167 8.700 -13.657 221 HB2 GLU 28 1HB GLU 28 -0.964 6.035 -14.395 222 HB3 GLU 28 2HB GLU 28 -2.655 6.223 -13.949 223 HG2 GLU 28 1HG GLU 28 -1.276 7.573 -16.257 224 HG3 GLU 28 2HG GLU 28 -2.378 6.198 -16.358 225 H THR 29 H THR 29 -3.330 8.176 -11.852 226 HA THR 29 HA THR 29 -1.758 7.083 -9.612 227 HB THR 29 HB THR 29 -4.082 9.020 -9.470 228 HG1 THR 29 HG1 THR 29 -2.390 10.211 -10.193 229 HG21 THR 29 3HG2 THR 29 -3.458 9.253 -7.113 230 HG22 THR 29 1HG2 THR 29 -2.185 8.050 -7.323 231 HG23 THR 29 2HG2 THR 29 -3.876 7.582 -7.490 232 H ALA 30 H ALA 30 -2.402 5.191 -8.867 233 HA ALA 30 HA ALA 30 -5.151 4.294 -9.412 234 HB1 ALA 30 3HB ALA 30 -2.710 2.680 -8.660 235 HB2 ALA 30 1HB ALA 30 -3.373 2.855 -10.286 236 HB3 ALA 30 2HB ALA 30 -4.306 2.031 -9.036 237 H GLU 31 H GLU 31 -6.560 4.165 -7.774 238 HA GLU 31 HA GLU 31 -5.612 4.614 -5.061 239 HB2 GLU 31 1HB GLU 31 -7.629 5.798 -5.827 240 HB3 GLU 31 2HB GLU 31 -8.429 4.258 -6.115 241 HG2 GLU 31 1HG GLU 31 -8.317 3.746 -3.732 242 HG3 GLU 31 2HG GLU 31 -7.498 5.280 -3.440 243 H ILE 32 H ILE 32 -4.638 2.835 -4.301 244 HA ILE 32 HA ILE 32 -5.835 0.207 -4.672 245 HB ILE 32 HB ILE 32 -3.394 0.931 -3.040 246 HG12 ILE 32 1HG1 ILE 32 -3.510 0.023 -5.926 247 HG13 ILE 32 2HG1 ILE 32 -3.166 1.669 -5.403 248 HG21 ILE 32 1HG2 ILE 32 -4.343 -1.673 -4.227 249 HG22 ILE 32 2HG2 ILE 32 -4.302 -1.245 -2.517 250 HG23 ILE 32 3HG2 ILE 32 -2.797 -1.435 -3.415 251 HD11 ILE 32 3HD1 ILE 32 -1.135 0.476 -5.990 252 HD12 ILE 32 1HD1 ILE 32 -1.502 -0.762 -4.789 253 HD13 ILE 32 2HD1 ILE 32 -1.150 0.889 -4.275 254 H ARG 33 H ARG 33 -7.667 0.072 -3.430 255 HA ARG 33 HA ARG 33 -7.606 1.059 -0.706 256 HB2 ARG 33 1HB ARG 33 -9.636 1.306 -2.153 257 HB3 ARG 33 2HB ARG 33 -9.833 -0.442 -2.091 258 HG2 ARG 33 1HG ARG 33 -10.105 -0.356 0.317 259 HG3 ARG 33 2HG ARG 33 -9.829 1.386 0.305 260 HD2 ARG 33 1HD ARG 33 -11.823 1.553 -1.245 261 HD3 ARG 33 2HD ARG 33 -12.148 -0.135 -0.848 262 HE ARG 33 HE ARG 33 -12.243 0.668 1.540 263 HH11 ARG 33 1HH1 ARG 33 -12.959 2.781 -1.162 264 HH12 ARG 33 2HH1 ARG 33 -14.011 3.819 -0.240 265 HH21 ARG 33 1HH2 ARG 33 -13.611 2.029 2.762 266 HH22 ARG 33 2HH2 ARG 33 -14.391 3.385 1.999 267 H CYS 34 H CYS 34 -6.997 -0.114 0.952 268 HA CYS 34 HA CYS 34 -7.160 -3.044 0.719 269 HB2 CYS 34 1HB CYS 34 -5.263 -1.471 2.468 270 HB3 CYS 34 2HB CYS 34 -5.238 -3.203 2.160 271 HG CYS 34 HG CYS 34 -4.764 -0.972 -0.374 272 H GLN 35 H GLN 35 -8.499 -4.003 2.088 273 HA GLN 35 HA GLN 35 -9.483 -2.440 4.385 274 HB2 GLN 35 1HB GLN 35 -11.119 -3.138 2.571 275 HB3 GLN 35 2HB GLN 35 -10.832 -4.799 3.065 276 HG2 GLN 35 1HG GLN 35 -12.809 -4.149 4.131 277 HG3 GLN 35 2HG GLN 35 -11.561 -4.107 5.375 278 HE21 GLN 35 2HE2 GLN 35 -12.719 -2.666 6.647 279 HE22 GLN 35 1HE2 GLN 35 -12.928 -1.001 6.220 280 H LEU 36 H LEU 36 -8.547 -3.062 6.207 281 HA LEU 36 HA LEU 36 -7.341 -5.671 6.440 282 HB2 LEU 36 1HB LEU 36 -6.287 -3.598 7.326 283 HB3 LEU 36 2HB LEU 36 -7.585 -3.479 8.500 284 HG LEU 36 HG LEU 36 -6.382 -6.081 8.670 285 HD11 LEU 36 1HD1 LEU 36 -4.484 -3.759 8.964 286 HD12 LEU 36 2HD1 LEU 36 -4.406 -5.003 7.716 287 HD13 LEU 36 3HD1 LEU 36 -4.157 -5.435 9.409 288 HD21 LEU 36 3HD2 LEU 36 -6.061 -5.412 10.994 289 HD22 LEU 36 1HD2 LEU 36 -7.677 -4.988 10.429 290 HD23 LEU 36 2HD2 LEU 36 -6.437 -3.741 10.572 291 H HIS 37 H HIS 37 -8.466 -7.403 6.999 292 HA HIS 37 HA HIS 37 -11.012 -7.173 8.364 293 HB2 HIS 37 1HB HIS 37 -9.445 -9.529 7.305 294 HB3 HIS 37 2HB HIS 37 -10.943 -9.721 8.207 295 HD1 HIS 37 HD1 HIS 37 -9.994 -10.011 4.935 296 HD2 HIS 37 HD2 HIS 37 -12.895 -7.661 6.774 297 HE1 HIS 37 HE1 HIS 37 -11.664 -9.458 3.136 298 HE2 HIS 37 HE2 HIS 37 -13.522 -8.237 4.330 299 H ARG 38 H ARG 38 -11.180 -7.096 10.501 300 HA ARG 38 HA ARG 38 -8.950 -8.143 12.094 301 HB2 ARG 38 1HB ARG 38 -11.132 -6.183 12.779 302 HB3 ARG 38 2HB ARG 38 -10.006 -6.831 13.963 303 HG2 ARG 38 1HG ARG 38 -8.167 -5.940 12.439 304 HG3 ARG 38 2HG ARG 38 -9.449 -5.025 11.643 305 HD2 ARG 38 1HD ARG 38 -8.856 -4.925 14.593 306 HD3 ARG 38 2HD ARG 38 -8.253 -3.761 13.417 307 HE ARG 38 HE ARG 38 -11.143 -4.172 13.855 308 HH11 ARG 38 1HH1 ARG 38 -8.324 -2.105 13.649 309 HH12 ARG 38 2HH1 ARG 38 -9.235 -0.625 13.742 310 HH21 ARG 38 1HH2 ARG 38 -12.348 -2.264 14.032 311 HH22 ARG 38 2HH2 ARG 38 -11.551 -0.718 13.997 312 H ASP 39 H ASP 39 -9.150 -9.802 13.398 313 HA ASP 39 HA ASP 39 -11.459 -11.405 13.657 314 HB2 ASP 39 1HB ASP 39 -9.172 -12.237 14.076 315 HB3 ASP 39 2HB ASP 39 -9.032 -11.154 15.458 316 H GLY 40 H GLY 40 -10.393 -8.540 15.143 317 HA2 GLY 40 1HA GLY 40 -12.039 -7.252 16.446 318 HA3 GLY 40 2HA GLY 40 -12.393 -8.757 17.293 319 H ARG 41 H ARG 41 -11.820 -7.943 19.291 320 HA ARG 41 HA ARG 41 -10.438 -7.834 21.085 321 HB2 ARG 41 1HB ARG 41 -8.192 -8.611 19.230 322 HB3 ARG 41 2HB ARG 41 -8.243 -8.794 20.978 323 HG2 ARG 41 1HG ARG 41 -9.981 -10.451 20.802 324 HG3 ARG 41 2HG ARG 41 -10.078 -10.211 19.056 325 HD2 ARG 41 1HD ARG 41 -7.676 -10.918 18.927 326 HD3 ARG 41 2HD ARG 41 -7.785 -11.355 20.633 327 HE ARG 41 HE ARG 41 -9.382 -12.600 18.475 328 HH11 ARG 41 1HH1 ARG 41 -7.842 -12.709 21.629 329 HH12 ARG 41 2HH1 ARG 41 -8.142 -14.406 21.860 330 HH21 ARG 41 1HH2 ARG 41 -9.769 -14.843 18.778 331 HH22 ARG 41 2HH2 ARG 41 -9.205 -15.618 20.229 332 H PHE 42 H PHE 42 -8.384 -6.683 18.397 333 HA PHE 42 HA PHE 42 -7.448 -4.505 20.088 334 HB2 PHE 42 1HB PHE 42 -6.625 -5.240 17.267 335 HB3 PHE 42 2HB PHE 42 -5.802 -4.103 18.329 336 HD1 PHE 42 HD1 PHE 42 -4.685 -4.963 20.400 337 HD2 PHE 42 HD2 PHE 42 -6.186 -7.548 17.368 338 HE1 PHE 42 HE1 PHE 42 -3.287 -6.792 21.271 339 HE2 PHE 42 HE2 PHE 42 -4.794 -9.381 18.236 340 HZ PHE 42 HZ PHE 42 -3.343 -9.003 20.190 341 H GLU 43 H GLU 43 -8.925 -2.921 20.215 342 HA GLU 43 HA GLU 43 -10.458 -2.095 17.923 343 HB2 GLU 43 1HB GLU 43 -11.510 -2.067 20.104 344 HB3 GLU 43 2HB GLU 43 -10.279 -0.974 20.722 345 HG2 GLU 43 1HG GLU 43 -11.036 0.754 19.172 346 HG3 GLU 43 2HG GLU 43 -12.272 -0.342 18.559 347 H GLU 44 H GLU 44 -9.182 -1.213 16.402 348 HA GLU 44 HA GLU 44 -7.897 0.293 15.300 349 HB2 GLU 44 1HB GLU 44 -9.106 2.120 17.381 350 HB3 GLU 44 2HB GLU 44 -8.303 2.661 15.910 351 HG2 GLU 44 1HG GLU 44 -9.978 1.537 14.560 352 HG3 GLU 44 2HG GLU 44 -10.766 0.931 16.013 353 H THR 45 H THR 45 -6.018 -0.869 16.109 354 HA THR 45 HA THR 45 -4.535 0.514 18.219 355 HB THR 45 HB THR 45 -4.926 -1.995 18.308 356 HG1 THR 45 HG1 THR 45 -3.344 -1.508 19.639 357 HG21 THR 45 3HG2 THR 45 -2.850 -2.001 16.113 358 HG22 THR 45 1HG2 THR 45 -4.533 -2.505 15.947 359 HG23 THR 45 2HG2 THR 45 -3.438 -3.417 16.985 360 H LYS 46 H LYS 46 -1.912 -0.111 17.513 361 HA LYS 46 HA LYS 46 -1.529 1.810 15.377 362 HB2 LYS 46 1HB LYS 46 0.533 0.336 17.024 363 HB3 LYS 46 2HB LYS 46 0.849 1.679 15.937 364 HG2 LYS 46 1HG LYS 46 -0.563 3.118 17.357 365 HG3 LYS 46 2HG LYS 46 -0.763 1.769 18.474 366 HD2 LYS 46 1HD LYS 46 1.741 1.693 18.667 367 HD3 LYS 46 2HD LYS 46 1.786 3.201 17.754 368 HE2 LYS 46 1HE LYS 46 0.332 2.793 20.366 369 HE3 LYS 46 2HE LYS 46 1.912 3.555 20.195 370 HZ1 LYS 46 3HZ LYS 46 0.004 5.116 20.371 371 HZ2 LYS 46 1HZ LYS 46 -0.549 4.562 18.866 372 HZ3 LYS 46 2HZ LYS 46 0.954 5.344 18.986 373 H TYR 47 H TYR 47 -1.807 1.027 13.388 374 HA TYR 47 HA TYR 47 -0.522 -1.503 12.661 375 HB2 TYR 47 1HB TYR 47 -2.310 0.275 10.980 376 HB3 TYR 47 2HB TYR 47 -1.771 -1.354 10.578 377 HD1 TYR 47 HD2 TYR 47 -2.573 -3.282 11.996 378 HD2 TYR 47 HD1 TYR 47 -4.237 0.625 12.299 379 HE1 TYR 47 HE2 TYR 47 -4.542 -4.212 13.137 380 HE2 TYR 47 HE1 TYR 47 -6.203 -0.297 13.446 381 HH TYR 47 HH TYR 47 -6.304 -3.498 14.629 382 H PHE 48 H PHE 48 1.073 -1.564 11.020 383 HA PHE 48 HA PHE 48 2.332 1.061 10.556 384 HB2 PHE 48 1HB PHE 48 3.736 -1.566 11.080 385 HB3 PHE 48 2HB PHE 48 4.517 -0.016 10.785 386 HD1 PHE 48 HD1 PHE 48 3.728 1.914 12.423 387 HD2 PHE 48 HD2 PHE 48 3.487 -2.252 13.253 388 HE1 PHE 48 HE1 PHE 48 3.666 2.400 14.831 389 HE2 PHE 48 HE2 PHE 48 3.425 -1.768 15.662 390 HZ PHE 48 HZ PHE 48 3.514 0.559 16.456 391 H ILE 49 H ILE 49 2.984 1.525 8.540 392 HA ILE 49 HA ILE 49 2.906 -0.644 6.552 393 HB ILE 49 HB ILE 49 0.902 0.695 6.265 394 HG12 ILE 49 1HG1 ILE 49 2.960 1.296 4.126 395 HG13 ILE 49 2HG1 ILE 49 1.999 -0.174 4.247 396 HG21 ILE 49 1HG2 ILE 49 1.683 2.756 7.318 397 HG22 ILE 49 2HG2 ILE 49 0.985 3.069 5.728 398 HG23 ILE 49 3HG2 ILE 49 2.737 3.065 5.937 399 HD11 ILE 49 3HD1 ILE 49 1.124 1.339 2.559 400 HD12 ILE 49 1HD1 ILE 49 0.921 2.595 3.780 401 HD13 ILE 49 2HD1 ILE 49 -0.031 1.112 3.874 402 H ARG 50 H ARG 50 4.599 -0.800 5.255 403 HA ARG 50 HA ARG 50 6.110 1.537 4.467 404 HB2 ARG 50 1HB ARG 50 8.248 0.812 5.188 405 HB3 ARG 50 2HB ARG 50 7.210 0.618 6.590 406 HG2 ARG 50 1HG ARG 50 6.969 -1.816 5.841 407 HG3 ARG 50 2HG ARG 50 8.350 -1.492 4.794 408 HD2 ARG 50 1HD ARG 50 8.220 -1.370 7.797 409 HD3 ARG 50 2HD ARG 50 9.204 -2.433 6.797 410 HE ARG 50 HE ARG 50 9.692 0.450 6.665 411 HH11 ARG 50 1HH1 ARG 50 10.755 -2.762 7.545 412 HH12 ARG 50 2HH1 ARG 50 12.340 -2.238 8.052 413 HH21 ARG 50 1HH2 ARG 50 11.799 1.147 7.312 414 HH22 ARG 50 2HH2 ARG 50 12.931 -0.038 7.892 415 H TYR 51 H TYR 51 6.942 1.246 2.378 416 HA TYR 51 HA TYR 51 6.244 -1.358 1.200 417 HB2 TYR 51 1HB TYR 51 5.615 -0.305 -0.807 418 HB3 TYR 51 2HB TYR 51 4.947 0.720 0.454 419 HD1 TYR 51 HD1 TYR 51 6.490 2.755 1.164 420 HD2 TYR 51 HD2 TYR 51 6.784 0.666 -2.531 421 HE1 TYR 51 HE1 TYR 51 7.622 4.694 0.160 422 HE2 TYR 51 HE2 TYR 51 7.918 2.597 -3.539 423 HH TYR 51 HH TYR 51 8.029 5.083 -3.134 424 H PHE 52 H PHE 52 7.660 -2.358 -0.194 425 HA PHE 52 HA PHE 52 10.320 -1.115 -0.402 426 HB2 PHE 52 1HB PHE 52 10.326 -3.040 1.142 427 HB3 PHE 52 2HB PHE 52 9.663 -4.060 -0.129 428 HD1 PHE 52 HD1 PHE 52 12.568 -1.824 0.534 429 HD2 PHE 52 HD2 PHE 52 11.108 -5.325 -1.394 430 HE1 PHE 52 HE1 PHE 52 14.849 -2.356 -0.217 431 HE2 PHE 52 HE2 PHE 52 13.387 -5.864 -2.150 432 HZ PHE 52 HZ PHE 52 15.260 -4.378 -1.562 433 H GLN 53 H GLN 53 11.368 -1.276 -2.355 434 HA GLN 53 HA GLN 53 9.955 -2.631 -4.541 435 HB2 GLN 53 1HB GLN 53 11.194 0.123 -4.707 436 HB3 GLN 53 2HB GLN 53 10.503 -0.770 -6.051 437 HG2 GLN 53 1HG GLN 53 8.306 -0.652 -5.016 438 HG3 GLN 53 2HG GLN 53 8.993 0.212 -3.641 439 HE21 GLN 53 2HE2 GLN 53 10.845 1.678 -5.427 440 HE22 GLN 53 1HE2 GLN 53 9.874 2.901 -6.168 441 HA PRO 54 HA PRO 54 14.246 -4.190 -4.780 442 HB2 PRO 54 1HB PRO 54 12.865 -5.895 -6.775 443 HB3 PRO 54 2HB PRO 54 13.927 -6.364 -5.446 444 HG2 PRO 54 1HG PRO 54 11.288 -6.784 -5.328 445 HG3 PRO 54 2HG PRO 54 12.219 -6.331 -3.888 446 HD2 PRO 54 1HD PRO 54 10.414 -4.664 -5.586 447 HD3 PRO 54 2HD PRO 54 10.659 -4.635 -3.828 448 H ASP 55 H ASP 55 11.933 -3.836 -7.424 449 HA ASP 55 HA ASP 55 13.749 -2.068 -8.858 450 HB2 ASP 55 1HB ASP 55 12.676 -4.676 -9.943 451 HB3 ASP 55 2HB ASP 55 13.117 -3.349 -11.012 452 H GLY 56 H GLY 56 12.596 -0.322 -9.454 453 HA2 GLY 56 1HA GLY 56 10.401 -0.002 -10.890 454 HA3 GLY 56 2HA GLY 56 9.679 -0.509 -9.370 455 H ALA 57 H ALA 57 8.857 1.842 -10.197 456 HA ALA 57 HA ALA 57 9.923 3.674 -8.250 457 HB1 ALA 57 3HB ALA 57 11.496 4.033 -10.091 458 HB2 ALA 57 1HB ALA 57 10.492 5.456 -9.814 459 HB3 ALA 57 2HB ALA 57 10.149 4.387 -11.172 460 H GLY 58 H GLY 58 8.276 4.805 -7.447 461 HA2 GLY 58 1HA GLY 58 6.279 6.011 -9.080 462 HA3 GLY 58 2HA GLY 58 5.648 4.601 -8.237 463 H THR 59 H THR 59 4.581 7.070 -7.767 464 HA THR 59 HA THR 59 5.702 7.896 -5.179 465 HB THR 59 HB THR 59 3.607 9.285 -6.870 466 HG1 THR 59 HG1 THR 59 6.434 9.638 -6.650 467 HG21 THR 59 3HG2 THR 59 5.198 10.240 -4.484 468 HG22 THR 59 1HG2 THR 59 3.478 9.848 -4.491 469 HG23 THR 59 2HG2 THR 59 4.075 11.217 -5.428 470 H LEU 60 H LEU 60 4.813 6.873 -3.498 471 HA LEU 60 HA LEU 60 2.021 5.984 -3.714 472 HB2 LEU 60 1HB LEU 60 3.752 4.239 -3.353 473 HB3 LEU 60 2HB LEU 60 4.190 5.020 -1.846 474 HG LEU 60 HG LEU 60 1.928 4.564 -0.967 475 HD11 LEU 60 1HD1 LEU 60 0.485 2.983 -2.194 476 HD12 LEU 60 2HD1 LEU 60 1.569 3.106 -3.579 477 HD13 LEU 60 3HD1 LEU 60 0.678 4.523 -3.029 478 HD21 LEU 60 3HD2 LEU 60 2.217 2.148 -0.690 479 HD22 LEU 60 1HD2 LEU 60 3.746 3.011 -0.512 480 HD23 LEU 60 2HD2 LEU 60 3.393 2.139 -2.004 481 H LYS 61 H LYS 61 0.581 7.147 -2.650 482 HA LYS 61 HA LYS 61 1.448 8.546 -0.201 483 HB2 LYS 61 1HB LYS 61 -0.774 9.308 -2.108 484 HB3 LYS 61 2HB LYS 61 -0.336 10.178 -0.645 485 HG2 LYS 61 1HG LYS 61 1.801 10.770 -1.579 486 HG3 LYS 61 2HG LYS 61 1.487 9.785 -3.009 487 HD2 LYS 61 1HD LYS 61 -0.445 11.222 -3.542 488 HD3 LYS 61 2HD LYS 61 -0.056 12.228 -2.145 489 HE2 LYS 61 1HE LYS 61 2.076 12.816 -3.113 490 HE3 LYS 61 2HE LYS 61 1.802 11.717 -4.465 491 HZ1 LYS 61 3HZ LYS 61 1.336 13.996 -5.079 492 HZ2 LYS 61 1HZ LYS 61 0.188 14.135 -3.839 493 HZ3 LYS 61 2HZ LYS 61 -0.081 13.073 -5.137 494 H MET 62 H MET 62 0.151 8.406 1.609 495 HA MET 62 HA MET 62 -1.748 6.223 1.627 496 HB2 MET 62 1HB MET 62 -0.137 6.555 3.495 497 HB3 MET 62 2HB MET 62 -0.928 8.077 3.874 498 HG2 MET 62 1HG MET 62 -2.873 7.016 4.611 499 HG3 MET 62 2HG MET 62 -2.436 5.492 3.842 500 HE1 MET 62 3HE MET 62 -0.099 7.114 7.481 501 HE2 MET 62 1HE MET 62 -1.385 8.034 6.700 502 HE3 MET 62 2HE MET 62 0.109 7.695 5.828 503 H SER 63 H SER 63 -3.922 6.502 2.469 504 HA SER 63 HA SER 63 -5.499 8.178 1.044 505 HB2 SER 63 1HB SER 63 -6.242 6.192 2.318 506 HB3 SER 63 2HB SER 63 -6.118 7.125 3.808 507 HG SER 63 HG SER 63 -7.800 8.383 3.174 508 H ASP 64 H ASP 64 -3.899 8.994 4.058 509 HA ASP 64 HA ASP 64 -5.593 11.281 4.562 510 HB2 ASP 64 1HB ASP 64 -4.323 11.616 6.529 511 HB3 ASP 64 2HB ASP 64 -4.446 9.868 6.349 512 H GLY 65 H GLY 65 -2.942 10.646 2.590 513 HA2 GLY 65 1HA GLY 65 -2.297 12.359 1.007 514 HA3 GLY 65 2HA GLY 65 -2.413 13.535 2.305 515 H THR 66 H THR 66 -1.043 11.052 3.827 516 HA THR 66 HA THR 66 1.537 12.220 3.855 517 HB THR 66 HB THR 66 0.580 9.539 4.876 518 HG1 THR 66 HG1 THR 66 -0.311 10.988 6.206 519 HG21 THR 66 3HG2 THR 66 2.991 9.466 4.471 520 HG22 THR 66 1HG2 THR 66 2.645 9.486 6.200 521 HG23 THR 66 2HG2 THR 66 3.200 10.952 5.394 522 H VAL 67 H VAL 67 3.054 12.065 2.359 523 HA VAL 67 HA VAL 67 3.038 10.053 0.326 524 HB VAL 67 HB VAL 67 5.255 11.980 1.057 525 HG11 VAL 67 1HG1 VAL 67 6.061 10.135 -0.293 526 HG12 VAL 67 2HG1 VAL 67 6.012 11.610 -1.259 527 HG13 VAL 67 3HG1 VAL 67 4.757 10.384 -1.454 528 HG21 VAL 67 3HG2 VAL 67 3.218 13.190 0.522 529 HG22 VAL 67 1HG2 VAL 67 3.028 12.256 -0.961 530 HG23 VAL 67 2HG2 VAL 67 4.389 13.364 -0.786 531 H LEU 68 H LEU 68 3.840 8.076 0.470 532 HA LEU 68 HA LEU 68 5.243 7.325 2.905 533 HB2 LEU 68 1HB LEU 68 4.198 5.595 0.661 534 HB3 LEU 68 2HB LEU 68 4.774 5.035 2.219 535 HG LEU 68 HG LEU 68 2.325 6.751 1.787 536 HD11 LEU 68 1HD1 LEU 68 2.557 3.829 2.486 537 HD12 LEU 68 2HD1 LEU 68 2.021 4.484 0.938 538 HD13 LEU 68 3HD1 LEU 68 1.061 4.760 2.392 539 HD21 LEU 68 3HD2 LEU 68 1.873 6.299 4.147 540 HD22 LEU 68 1HD2 LEU 68 3.394 7.165 3.936 541 HD23 LEU 68 2HD2 LEU 68 3.404 5.435 4.276 542 H LEU 69 H LEU 69 7.361 7.306 2.942 543 HA LEU 69 HA LEU 69 8.825 6.648 0.475 544 HB2 LEU 69 1HB LEU 69 9.682 8.398 2.787 545 HB3 LEU 69 2HB LEU 69 10.701 7.965 1.427 546 HG LEU 69 HG LEU 69 8.161 9.594 1.257 547 HD11 LEU 69 1HD1 LEU 69 9.985 10.781 2.371 548 HD12 LEU 69 2HD1 LEU 69 9.638 11.466 0.784 549 HD13 LEU 69 3HD1 LEU 69 11.047 10.428 1.009 550 HD21 LEU 69 3HD2 LEU 69 10.211 8.881 -0.841 551 HD22 LEU 69 1HD2 LEU 69 8.874 10.011 -1.057 552 HD23 LEU 69 2HD2 LEU 69 8.545 8.303 -0.766 553 HA PRO 70 HA PRO 70 10.391 3.093 2.563 554 HB2 PRO 70 1HB PRO 70 12.927 3.429 1.115 555 HB3 PRO 70 2HB PRO 70 11.734 2.133 1.002 556 HG2 PRO 70 1HG PRO 70 12.071 3.918 -0.975 557 HG3 PRO 70 2HG PRO 70 10.479 3.242 -0.581 558 HD2 PRO 70 1HD PRO 70 11.635 5.911 0.142 559 HD3 PRO 70 2HD PRO 70 9.995 5.503 -0.409 560 H ASN 71 H ASN 71 11.740 6.147 2.904 561 HA ASN 71 HA ASN 71 13.985 5.493 4.551 562 HB2 ASN 71 1HB ASN 71 13.824 7.624 3.299 563 HB3 ASN 71 2HB ASN 71 12.457 8.099 4.302 564 HD21 ASN 71 2HD2 ASN 71 13.449 9.899 5.140 565 HD22 ASN 71 1HD2 ASN 71 14.773 9.811 6.250 566 H ASP 72 H ASP 72 10.576 5.959 5.040 567 HA ASP 72 HA ASP 72 10.999 5.751 7.943 568 HB2 ASP 72 1HB ASP 72 9.215 7.640 6.443 569 HB3 ASP 72 2HB ASP 72 8.812 7.145 8.081 570 H LEU 73 H LEU 73 8.919 5.222 9.075 571 HA LEU 73 HA LEU 73 7.224 3.398 7.517 572 HB2 LEU 73 1HB LEU 73 8.697 2.022 8.841 573 HB3 LEU 73 2HB LEU 73 8.411 2.994 10.268 574 HG LEU 73 HG LEU 73 6.073 1.598 9.054 575 HD11 LEU 73 1HD1 LEU 73 6.598 -0.457 10.243 576 HD12 LEU 73 2HD1 LEU 73 8.144 0.217 10.759 577 HD13 LEU 73 3HD1 LEU 73 7.848 -0.101 9.051 578 HD21 LEU 73 3HD2 LEU 73 5.416 1.415 11.396 579 HD22 LEU 73 1HD2 LEU 73 5.810 3.085 10.990 580 HD23 LEU 73 2HD2 LEU 73 6.960 2.102 11.897 581 H TYR 74 H TYR 74 5.039 3.687 7.860 582 HA TYR 74 HA TYR 74 4.382 5.867 9.732 583 HB2 TYR 74 1HB TYR 74 3.264 5.350 6.969 584 HB3 TYR 74 2HB TYR 74 2.642 6.566 8.084 585 HD1 TYR 74 HD1 TYR 74 4.006 8.536 8.660 586 HD2 TYR 74 HD2 TYR 74 5.313 5.712 5.757 587 HE1 TYR 74 HE1 TYR 74 5.672 10.152 7.847 588 HE2 TYR 74 HE2 TYR 74 6.983 7.320 4.935 589 HH TYR 74 HH TYR 74 7.743 10.208 6.642 590 HA PRO 75 HA PRO 75 1.248 3.161 11.274 591 HB2 PRO 75 1HB PRO 75 -0.088 5.185 12.693 592 HB3 PRO 75 2HB PRO 75 1.257 4.203 13.274 593 HG2 PRO 75 1HG PRO 75 1.294 6.971 12.769 594 HG3 PRO 75 2HG PRO 75 2.695 5.936 13.083 595 HD2 PRO 75 1HD PRO 75 1.616 6.944 10.498 596 HD3 PRO 75 2HD PRO 75 3.294 6.592 10.967 597 H LEU 76 H LEU 76 -0.598 2.388 10.525 598 HA LEU 76 HA LEU 76 -2.253 3.930 8.732 599 HB2 LEU 76 1HB LEU 76 -2.524 1.112 9.786 600 HB3 LEU 76 2HB LEU 76 -3.569 1.822 8.572 601 HG LEU 76 HG LEU 76 -0.593 1.439 8.228 602 HD11 LEU 76 1HD1 LEU 76 -2.888 -0.215 7.180 603 HD12 LEU 76 2HD1 LEU 76 -1.715 -0.717 8.399 604 HD13 LEU 76 3HD1 LEU 76 -1.191 -0.410 6.741 605 HD21 LEU 76 3HD2 LEU 76 -1.094 1.875 5.865 606 HD22 LEU 76 1HD2 LEU 76 -1.506 3.251 6.888 607 HD23 LEU 76 2HD2 LEU 76 -2.777 2.187 6.286 608 HA PRO 77 HA PRO 77 -4.842 5.365 12.009 609 HB2 PRO 77 1HB PRO 77 -6.673 6.660 10.506 610 HB3 PRO 77 2HB PRO 77 -5.030 7.266 10.743 611 HG2 PRO 77 1HG PRO 77 -6.194 5.802 8.409 612 HG3 PRO 77 2HG PRO 77 -5.073 7.176 8.426 613 HD2 PRO 77 1HD PRO 77 -4.296 4.581 8.031 614 HD3 PRO 77 2HD PRO 77 -3.242 5.834 8.713 615 H GLY 78 H GLY 78 -6.306 3.567 9.300 616 HA2 GLY 78 1HA GLY 78 -8.321 2.561 11.172 617 HA3 GLY 78 2HA GLY 78 -8.884 3.398 9.735 618 H GLU 79 H GLU 79 -9.860 1.028 9.939 619 HA GLU 79 HA GLU 79 -8.297 -1.144 8.993 620 HB2 GLU 79 1HB GLU 79 -11.266 -0.952 8.551 621 HB3 GLU 79 2HB GLU 79 -10.296 -2.379 8.875 622 HG2 GLU 79 1HG GLU 79 -11.501 -2.035 10.831 623 HG3 GLU 79 2HG GLU 79 -9.907 -1.377 11.188 624 H THR 80 H THR 80 -10.298 1.281 7.455 625 HA THR 80 HA THR 80 -9.775 0.115 4.833 626 HB THR 80 HB THR 80 -12.084 0.627 5.123 627 HG1 THR 80 HG1 THR 80 -11.320 2.915 3.681 628 HG21 THR 80 3HG2 THR 80 -11.923 2.174 6.999 629 HG22 THR 80 1HG2 THR 80 -12.915 2.860 5.710 630 HG23 THR 80 2HG2 THR 80 -11.255 3.414 5.935 631 H PHE 81 H PHE 81 -7.667 0.666 4.456 632 HA PHE 81 HA PHE 81 -7.130 3.552 4.337 633 HB2 PHE 81 1HB PHE 81 -4.688 2.907 4.431 634 HB3 PHE 81 2HB PHE 81 -5.605 2.637 5.906 635 HD1 PHE 81 HD1 PHE 81 -6.327 0.299 6.475 636 HD2 PHE 81 HD2 PHE 81 -3.561 1.152 3.355 637 HE1 PHE 81 HE1 PHE 81 -5.538 -2.030 6.545 638 HE2 PHE 81 HE2 PHE 81 -2.770 -1.175 3.418 639 HZ PHE 81 HZ PHE 81 -3.755 -2.770 5.015 640 H ARG 82 H ARG 82 -6.604 4.442 2.461 641 HA ARG 82 HA ARG 82 -6.513 2.648 0.132 642 HB2 ARG 82 1HB ARG 82 -7.302 5.567 0.109 643 HB3 ARG 82 2HB ARG 82 -7.565 4.369 -1.153 644 HG2 ARG 82 1HG ARG 82 -9.127 3.181 0.354 645 HG3 ARG 82 2HG ARG 82 -8.911 4.467 1.542 646 HD2 ARG 82 1HD ARG 82 -10.135 4.665 -1.203 647 HD3 ARG 82 2HD ARG 82 -10.924 4.920 0.352 648 HE ARG 82 HE ARG 82 -9.160 6.770 -1.051 649 HH11 ARG 82 1HH1 ARG 82 -10.946 6.048 1.887 650 HH12 ARG 82 2HH1 ARG 82 -10.989 7.706 2.403 651 HH21 ARG 82 1HH2 ARG 82 -9.256 8.945 -0.376 652 HH22 ARG 82 2HH2 ARG 82 -10.051 9.342 1.121 653 H LEU 83 H LEU 83 -4.711 2.613 -1.002 654 HA LEU 83 HA LEU 83 -2.657 4.611 -0.391 655 HB2 LEU 83 1HB LEU 83 -2.395 1.898 -1.687 656 HB3 LEU 83 2HB LEU 83 -1.069 2.970 -1.273 657 HG LEU 83 HG LEU 83 -2.935 1.615 0.676 658 HD11 LEU 83 1HD1 LEU 83 -0.949 0.382 1.359 659 HD12 LEU 83 2HD1 LEU 83 -0.006 1.197 0.113 660 HD13 LEU 83 3HD1 LEU 83 -1.313 0.105 -0.343 661 HD21 LEU 83 3HD2 LEU 83 -1.510 2.560 2.416 662 HD22 LEU 83 1HD2 LEU 83 -2.272 3.834 1.466 663 HD23 LEU 83 2HD2 LEU 83 -0.577 3.425 1.197 664 H TYR 84 H TYR 84 -2.428 6.177 -1.787 665 HA TYR 84 HA TYR 84 -3.454 5.883 -4.493 666 HB2 TYR 84 1HB TYR 84 -2.452 8.274 -2.939 667 HB3 TYR 84 2HB TYR 84 -2.961 8.353 -4.624 668 HD1 TYR 84 HD2 TYR 84 -4.099 7.846 -1.162 669 HD2 TYR 84 HD1 TYR 84 -5.276 8.247 -5.228 670 HE1 TYR 84 HE2 TYR 84 -6.437 8.131 -0.453 671 HE2 TYR 84 HE1 TYR 84 -7.614 8.531 -4.532 672 HH TYR 84 HH TYR 84 -9.042 7.972 -2.651 673 H TYR 85 H TYR 85 -2.052 4.795 -5.725 674 HA TYR 85 HA TYR 85 0.782 5.497 -5.567 675 HB2 TYR 85 1HB TYR 85 0.373 3.123 -5.395 676 HB3 TYR 85 2HB TYR 85 -0.611 3.145 -6.858 677 HD1 TYR 85 HD2 TYR 85 2.846 3.732 -5.624 678 HD2 TYR 85 HD1 TYR 85 0.365 2.804 -8.955 679 HE1 TYR 85 HE2 TYR 85 4.847 3.327 -6.994 680 HE2 TYR 85 HE1 TYR 85 2.359 2.403 -10.335 681 HH TYR 85 HH TYR 85 5.437 2.025 -9.073 682 H THR 86 H THR 86 1.293 7.142 -6.826 683 HA THR 86 HA THR 86 0.190 7.343 -9.518 684 HB THR 86 HB THR 86 2.197 9.133 -8.118 685 HG1 THR 86 HG1 THR 86 -0.616 9.507 -8.506 686 HG21 THR 86 3HG2 THR 86 1.600 10.765 -9.852 687 HG22 THR 86 1HG2 THR 86 0.549 9.572 -10.612 688 HG23 THR 86 2HG2 THR 86 2.291 9.303 -10.557 689 H SER 87 H SER 87 1.134 6.196 -11.076 690 HA SER 87 HA SER 87 3.558 4.800 -10.713 691 HB2 SER 87 1HB SER 87 2.111 5.373 -13.308 692 HB3 SER 87 2HB SER 87 3.256 4.063 -13.008 693 HG SER 87 HG SER 87 1.676 2.942 -12.218 694 H ALA 88 H ALA 88 5.619 5.234 -11.290 695 HA ALA 88 HA ALA 88 6.117 7.750 -12.746 696 HB1 ALA 88 3HB ALA 88 8.091 8.103 -11.350 697 HB2 ALA 88 1HB ALA 88 7.713 6.643 -10.436 698 HB3 ALA 88 2HB ALA 88 6.623 8.029 -10.374 699 H SER 89 H SER 89 6.197 4.584 -13.136 700 HA SER 89 HA SER 89 8.537 4.708 -14.877 701 HB2 SER 89 1HB SER 89 9.105 2.331 -14.130 702 HB3 SER 89 2HB SER 89 9.479 3.618 -12.986 703 HG SER 89 HG SER 89 7.666 3.078 -11.806 704 H THR 90 H THR 90 8.565 2.755 -16.377 705 HA THR 90 HA THR 90 5.811 1.928 -17.011 706 HB THR 90 HB THR 90 6.489 3.654 -18.596 707 HG1 THR 90 HG1 THR 90 6.597 1.107 -19.884 708 HG21 THR 90 3HG2 THR 90 8.903 3.410 -18.477 709 HG22 THR 90 1HG2 THR 90 8.358 3.276 -20.149 710 HG23 THR 90 2HG2 THR 90 8.802 1.826 -19.248 711 H ASP 91 H ASP 91 9.141 1.052 -16.668 712 HA ASP 91 HA ASP 91 8.895 -1.457 -18.061 713 HB2 ASP 91 1HB ASP 91 11.152 -1.878 -17.450 714 HB3 ASP 91 2HB ASP 91 11.061 -0.158 -17.809 715 H GLN 92 H GLN 92 9.481 -3.522 -16.848 716 HA GLN 92 HA GLN 92 7.348 -4.126 -15.161 717 HB2 GLN 92 1HB GLN 92 8.690 -5.756 -16.524 718 HB3 GLN 92 2HB GLN 92 9.955 -5.646 -15.308 719 HG2 GLN 92 1HG GLN 92 8.247 -6.400 -13.623 720 HG3 GLN 92 2HG GLN 92 7.176 -6.738 -14.981 721 HE21 GLN 92 2HE2 GLN 92 8.192 -8.596 -13.058 722 HE22 GLN 92 1HE2 GLN 92 9.104 -9.776 -13.939 723 H GLN 93 H GLN 93 7.014 -3.366 -13.170 724 HA GLN 93 HA GLN 93 9.334 -3.208 -11.369 725 HB2 GLN 93 1HB GLN 93 8.201 -1.371 -10.201 726 HB3 GLN 93 2HB GLN 93 8.541 -0.979 -11.879 727 HG2 GLN 93 1HG GLN 93 6.268 -1.247 -12.493 728 HG3 GLN 93 2HG GLN 93 5.865 -1.961 -10.930 729 HE21 GLN 93 2HE2 GLN 93 4.755 0.389 -12.286 730 HE22 GLN 93 1HE2 GLN 93 4.966 1.700 -11.170 731 H THR 94 H THR 94 9.009 -3.712 -9.194 732 HA THR 94 HA THR 94 6.550 -5.209 -8.594 733 HB THR 94 HB THR 94 9.368 -6.099 -7.926 734 HG1 THR 94 HG1 THR 94 8.051 -6.347 -10.167 735 HG21 THR 94 3HG2 THR 94 8.317 -8.147 -7.116 736 HG22 THR 94 1HG2 THR 94 6.723 -7.484 -7.474 737 HG23 THR 94 2HG2 THR 94 7.722 -6.748 -6.220 738 H VAL 95 H VAL 95 5.596 -4.309 -6.901 739 HA VAL 95 HA VAL 95 7.276 -2.986 -4.866 740 HB VAL 95 HB VAL 95 4.409 -2.311 -5.548 741 HG11 VAL 95 1HG1 VAL 95 6.442 -0.916 -3.816 742 HG12 VAL 95 2HG1 VAL 95 4.988 -1.756 -3.273 743 HG13 VAL 95 3HG1 VAL 95 4.849 -0.280 -4.227 744 HG21 VAL 95 3HG2 VAL 95 5.299 -0.279 -6.606 745 HG22 VAL 95 1HG2 VAL 95 5.808 -1.747 -7.439 746 HG23 VAL 95 2HG2 VAL 95 6.936 -0.897 -6.383 747 H ASP 96 H ASP 96 7.412 -4.390 -3.198 748 HA ASP 96 HA ASP 96 4.943 -5.732 -2.367 749 HB2 ASP 96 1HB ASP 96 6.441 -7.178 -0.964 750 HB3 ASP 96 2HB ASP 96 6.662 -7.343 -2.697 751 H VAL 97 H VAL 97 3.835 -4.810 -0.874 752 HA VAL 97 HA VAL 97 5.090 -2.840 0.882 753 HB VAL 97 HB VAL 97 2.151 -3.461 0.530 754 HG11 VAL 97 1HG1 VAL 97 1.802 -1.266 1.551 755 HG12 VAL 97 2HG1 VAL 97 3.544 -1.091 1.772 756 HG13 VAL 97 3HG1 VAL 97 2.667 -2.356 2.635 757 HG21 VAL 97 3HG2 VAL 97 2.066 -1.459 -0.888 758 HG22 VAL 97 1HG2 VAL 97 3.098 -2.710 -1.580 759 HG23 VAL 97 2HG2 VAL 97 3.821 -1.314 -0.779 760 H TYR 98 H TYR 98 5.249 -3.066 3.047 761 HA TYR 98 HA TYR 98 4.459 -5.668 4.157 762 HB2 TYR 98 1HB TYR 98 6.569 -3.691 5.056 763 HB3 TYR 98 2HB TYR 98 6.167 -5.177 5.912 764 HD1 TYR 98 HD2 TYR 98 7.286 -3.965 2.571 765 HD2 TYR 98 HD1 TYR 98 7.314 -7.139 5.403 766 HE1 TYR 98 HE2 TYR 98 8.866 -5.199 1.160 767 HE2 TYR 98 HE1 TYR 98 8.897 -8.386 3.990 768 HH TYR 98 HH TYR 98 9.826 -7.172 0.793 769 H PHE 99 H PHE 99 2.779 -5.710 5.465 770 HA PHE 99 HA PHE 99 2.060 -3.257 6.927 771 HB2 PHE 99 1HB PHE 99 0.343 -5.630 6.163 772 HB3 PHE 99 2HB PHE 99 -0.207 -4.248 7.103 773 HD1 PHE 99 HD1 PHE 99 0.174 -1.914 5.944 774 HD2 PHE 99 HD2 PHE 99 -0.034 -5.638 3.892 775 HE1 PHE 99 HE1 PHE 99 -0.440 -0.739 3.876 776 HE2 PHE 99 HE2 PHE 99 -0.653 -4.461 1.816 777 HZ PHE 99 HZ PHE 99 -0.852 -2.009 1.811 778 H GLN 100 H GLN 100 2.257 -3.259 9.058 779 HA GLN 100 HA GLN 100 2.569 -5.846 10.443 780 HB2 GLN 100 1HB GLN 100 4.721 -4.631 10.212 781 HB3 GLN 100 2HB GLN 100 4.015 -3.255 11.043 782 HG2 GLN 100 1HG GLN 100 3.728 -4.605 13.054 783 HG3 GLN 100 2HG GLN 100 4.420 -5.995 12.221 784 HE21 GLN 100 2HE2 GLN 100 5.595 -2.749 11.771 785 HE22 GLN 100 1HE2 GLN 100 7.112 -2.968 12.573 786 H ASP 101 H ASP 101 1.813 -5.890 12.648 787 HA ASP 101 HA ASP 101 0.073 -3.614 13.342 788 HB2 ASP 101 1HB ASP 101 -1.546 -5.161 14.361 789 HB3 ASP 101 2HB ASP 101 -1.362 -5.449 12.637 790 H SER 102 H SER 102 -0.660 -3.983 15.793 791 HA SER 102 HA SER 102 1.776 -3.657 17.265 792 HB2 SER 102 1HB SER 102 -1.100 -3.599 18.201 793 HB3 SER 102 2HB SER 102 0.297 -3.081 19.146 794 HG SER 102 HG SER 102 0.137 -1.928 16.651 795 H PHE 103 H PHE 103 -0.023 -6.346 16.460 796 HA PHE 103 HA PHE 103 0.413 -7.783 18.950 797 HB2 PHE 103 1HB PHE 103 -1.649 -8.167 17.614 798 HB3 PHE 103 2HB PHE 103 -0.660 -8.766 16.288 799 HD1 PHE 103 HD1 PHE 103 -1.334 -9.402 19.900 800 HD2 PHE 103 HD2 PHE 103 -0.292 -11.038 16.111 801 HE1 PHE 103 HE1 PHE 103 -1.466 -11.671 20.845 802 HE2 PHE 103 HE2 PHE 103 -0.420 -13.310 17.050 803 HZ PHE 103 HZ PHE 103 -1.006 -13.626 19.420 804 H GLY 104 H GLY 104 2.032 -7.058 16.075 805 HA2 GLY 104 1HA GLY 104 4.385 -7.465 15.924 806 HA3 GLY 104 2HA GLY 104 4.153 -8.957 16.824 807 H GLN 105 H GLN 105 1.797 -8.389 14.438 808 HA GLN 105 HA GLN 105 2.868 -10.574 12.847 809 HB2 GLN 105 1HB GLN 105 0.326 -8.979 12.488 810 HB3 GLN 105 2HB GLN 105 0.750 -10.453 11.632 811 HG2 GLN 105 1HG GLN 105 0.364 -10.279 14.607 812 HG3 GLN 105 2HG GLN 105 -0.895 -10.748 13.466 813 HE21 GLN 105 2HE2 GLN 105 -1.140 -12.767 14.307 814 HE22 GLN 105 1HE2 GLN 105 0.045 -14.013 14.141 815 H LEU 106 H LEU 106 3.510 -10.417 10.732 816 HA LEU 106 HA LEU 106 3.519 -7.761 9.509 817 HB2 LEU 106 1HB LEU 106 5.707 -8.135 10.575 818 HB3 LEU 106 2HB LEU 106 5.900 -9.614 9.655 819 HG LEU 106 HG LEU 106 6.045 -8.369 7.584 820 HD11 LEU 106 1HD1 LEU 106 5.631 -5.903 9.273 821 HD12 LEU 106 2HD1 LEU 106 4.473 -6.572 8.125 822 HD13 LEU 106 3HD1 LEU 106 6.011 -5.927 7.551 823 HD21 LEU 106 3HD2 LEU 106 8.103 -7.100 8.026 824 HD22 LEU 106 1HD2 LEU 106 8.100 -8.664 8.842 825 HD23 LEU 106 2HD2 LEU 106 7.769 -7.192 9.756 826 H GLN 107 H GLN 107 2.497 -7.911 7.659 827 HA GLN 107 HA GLN 107 2.721 -10.401 6.093 828 HB2 GLN 107 1HB GLN 107 0.535 -10.296 7.202 829 HB3 GLN 107 2HB GLN 107 0.256 -8.696 6.532 830 HG2 GLN 107 1HG GLN 107 0.160 -9.604 4.300 831 HG3 GLN 107 2HG GLN 107 0.573 -11.208 4.907 832 HE21 GLN 107 2HE2 GLN 107 -1.087 -10.913 7.289 833 HE22 GLN 107 1HE2 GLN 107 -2.727 -11.085 6.767 834 H GLN 108 H GLN 108 3.450 -10.070 4.069 835 HA GLN 108 HA GLN 108 3.456 -7.302 3.091 836 HB2 GLN 108 1HB GLN 108 5.327 -7.903 1.678 837 HB3 GLN 108 2HB GLN 108 5.681 -8.321 3.346 838 HG2 GLN 108 1HG GLN 108 5.299 -10.642 2.917 839 HG3 GLN 108 2HG GLN 108 4.702 -10.295 1.296 840 HE21 GLN 108 2HE2 GLN 108 6.760 -8.297 0.763 841 HE22 GLN 108 1HE2 GLN 108 8.227 -9.161 0.513 842 H LEU 109 H LEU 109 2.684 -6.772 1.127 843 HA LEU 109 HA LEU 109 1.417 -8.923 -0.441 844 HB2 LEU 109 1HB LEU 109 0.493 -6.066 -0.109 845 HB3 LEU 109 2HB LEU 109 -0.256 -7.254 -1.158 846 HG LEU 109 HG LEU 109 -0.122 -7.399 1.859 847 HD11 LEU 109 1HD1 LEU 109 -1.658 -5.684 1.016 848 HD12 LEU 109 2HD1 LEU 109 -2.519 -7.022 1.777 849 HD13 LEU 109 3HD1 LEU 109 -2.456 -6.898 0.019 850 HD21 LEU 109 3HD2 LEU 109 -0.044 -9.610 0.815 851 HD22 LEU 109 1HD2 LEU 109 -1.485 -9.220 -0.122 852 HD23 LEU 109 2HD2 LEU 109 -1.582 -9.336 1.636 853 H THR 110 H THR 110 2.315 -9.203 -2.352 854 HA THR 110 HA THR 110 4.186 -7.173 -3.327 855 HB THR 110 HB THR 110 3.790 -9.987 -4.359 856 HG1 THR 110 HG1 THR 110 4.422 -9.565 -1.991 857 HG21 THR 110 3HG2 THR 110 6.103 -9.721 -5.141 858 HG22 THR 110 1HG2 THR 110 6.124 -8.072 -4.516 859 HG23 THR 110 2HG2 THR 110 5.044 -8.495 -5.845 860 H PHE 111 H PHE 111 3.490 -5.767 -4.804 861 HA PHE 111 HA PHE 111 1.356 -6.598 -6.664 862 HB2 PHE 111 1HB PHE 111 2.214 -3.803 -5.876 863 HB3 PHE 111 2HB PHE 111 0.877 -4.211 -6.943 864 HD1 PHE 111 HD1 PHE 111 -1.092 -5.458 -5.993 865 HD2 PHE 111 HD2 PHE 111 1.934 -3.714 -3.561 866 HE1 PHE 111 HE1 PHE 111 -2.616 -5.519 -4.062 867 HE2 PHE 111 HE2 PHE 111 0.414 -3.773 -1.624 868 HZ PHE 111 HZ PHE 111 -1.863 -4.678 -1.875 869 H SER 112 H SER 112 2.045 -7.079 -8.648 870 HA SER 112 HA SER 112 4.447 -5.813 -9.715 871 HB2 SER 112 1HB SER 112 4.075 -7.360 -11.648 872 HB3 SER 112 2HB SER 112 4.230 -8.203 -10.107 873 HG SER 112 HG SER 112 1.724 -7.473 -11.208 874 H PHE 113 H PHE 113 4.299 -3.969 -10.831 875 HA PHE 113 HA PHE 113 1.668 -3.238 -11.930 876 HB2 PHE 113 1HB PHE 113 3.875 -1.567 -10.759 877 HB3 PHE 113 2HB PHE 113 2.669 -0.858 -11.823 878 HD1 PHE 113 HD1 PHE 113 0.191 -1.300 -11.164 879 HD2 PHE 113 HD2 PHE 113 3.484 -1.629 -8.485 880 HE1 PHE 113 HE1 PHE 113 -1.333 -0.989 -9.261 881 HE2 PHE 113 HE2 PHE 113 1.962 -1.322 -6.575 882 HZ PHE 113 HZ PHE 113 -0.452 -0.997 -6.965 883 H ASN 114 H ASN 114 1.460 -2.467 -13.941 884 HA ASN 114 HA ASN 114 1.855 -2.494 -16.182 885 HB2 ASN 114 1HB ASN 114 3.576 -0.744 -16.836 886 HB3 ASN 114 2HB ASN 114 2.276 -0.220 -15.777 887 HD21 ASN 114 2HD2 ASN 114 5.666 -0.934 -16.013 888 HD22 ASN 114 1HD2 ASN 114 6.134 -0.166 -14.537 889 H ASN 115 H ASN 115 2.845 -4.828 -15.371 890 HA ASN 115 HA ASN 115 5.526 -5.272 -16.233 891 HB2 ASN 115 1HB ASN 115 3.208 -7.155 -15.780 892 HB3 ASN 115 2HB ASN 115 4.792 -7.706 -16.308 893 HD21 ASN 115 2HD2 ASN 115 5.312 -8.868 -14.543 894 HD22 ASN 115 1HD2 ASN 115 5.570 -8.184 -12.975 895 H ASP 116 H ASP 116 2.539 -4.886 -17.821 896 HA ASP 116 HA ASP 116 1.861 -4.909 -19.973 897 HB2 ASP 116 1HB ASP 116 3.862 -3.529 -20.361 898 HB3 ASP 116 2HB ASP 116 4.814 -4.986 -20.620 899 H SER 117 H SER 117 4.656 -6.761 -20.906 900 HA SER 117 HA SER 117 2.926 -9.128 -21.205 901 HB2 SER 117 1HB SER 117 5.212 -8.331 -23.024 902 HB3 SER 117 2HB SER 117 4.092 -9.674 -23.258 903 HG SER 117 HG SER 117 3.455 -6.898 -23.248 904 H SER 118 H SER 118 5.391 -7.934 -19.462 905 HA SER 118 HA SER 118 7.041 -10.331 -19.476 906 HB2 SER 118 1HB SER 118 7.307 -7.793 -17.846 907 HB3 SER 118 2HB SER 118 8.500 -9.088 -17.950 908 HG SER 118 HG SER 118 9.018 -7.376 -19.358 909 H LYS 119 H LYS 119 5.869 -11.939 -18.533 910 HA LYS 119 HA LYS 119 4.925 -11.420 -15.792 911 HB2 LYS 119 1HB LYS 119 3.294 -13.200 -16.045 912 HB3 LYS 119 2HB LYS 119 3.076 -12.006 -17.312 913 HG2 LYS 119 1HG LYS 119 4.598 -14.558 -17.743 914 HG3 LYS 119 2HG LYS 119 2.853 -14.440 -17.961 915 HD2 LYS 119 1HD LYS 119 3.244 -12.613 -19.600 916 HD3 LYS 119 2HD LYS 119 4.978 -12.897 -19.441 917 HE2 LYS 119 1HE LYS 119 2.918 -14.877 -20.403 918 HE3 LYS 119 2HE LYS 119 4.101 -14.032 -21.400 919 HZ1 LYS 119 3HZ LYS 119 4.747 -16.330 -20.843 920 HZ2 LYS 119 1HZ LYS 119 4.800 -15.910 -19.202 921 HZ3 LYS 119 2HZ LYS 119 5.873 -15.187 -20.300 922 H GLU 120 H GLU 120 7.579 -12.188 -16.842 923 HA GLU 120 HA GLU 120 8.152 -14.820 -15.930 924 HB2 GLU 120 1HB GLU 120 9.960 -12.408 -16.210 925 HB3 GLU 120 2HB GLU 120 10.508 -14.058 -15.950 926 HG2 GLU 120 1HG GLU 120 8.923 -13.148 -18.338 927 HG3 GLU 120 2HG GLU 120 10.679 -13.300 -18.297 928 H GLU 121 H GLU 121 8.581 -15.550 -13.929 929 HA GLU 121 HA GLU 121 7.910 -13.827 -11.714 930 HB2 GLU 121 1HB GLU 121 8.691 -16.741 -11.844 931 HB3 GLU 121 2HB GLU 121 8.195 -15.915 -10.372 932 HG2 GLU 121 1HG GLU 121 6.474 -16.102 -12.829 933 HG3 GLU 121 2HG GLU 121 6.416 -17.260 -11.503 934 H GLU 122 H GLU 122 9.951 -12.564 -12.478 935 HA GLU 122 HA GLU 122 11.992 -11.723 -12.007 936 HB2 GLU 122 1HB GLU 122 10.995 -11.924 -9.666 937 HB3 GLU 122 2HB GLU 122 11.977 -13.371 -9.483 938 HG2 GLU 122 1HG GLU 122 13.996 -12.087 -9.802 939 HG3 GLU 122 2HG GLU 122 13.054 -10.631 -10.114 940 H LEU 123 H LEU 123 13.317 -12.505 -13.536 941 HA LEU 123 HA LEU 123 14.062 -15.162 -13.909 942 HB2 LEU 123 1HB LEU 123 15.461 -12.619 -14.730 943 HB3 LEU 123 2HB LEU 123 15.989 -14.209 -15.237 944 HG LEU 123 HG LEU 123 14.764 -13.339 -17.044 945 HD11 LEU 123 1HD1 LEU 123 14.230 -15.651 -16.579 946 HD12 LEU 123 2HD1 LEU 123 12.818 -14.812 -17.222 947 HD13 LEU 123 3HD1 LEU 123 12.929 -15.157 -15.496 948 HD21 LEU 123 3HD2 LEU 123 12.497 -12.424 -16.845 949 HD22 LEU 123 1HD2 LEU 123 13.675 -11.486 -15.922 950 HD23 LEU 123 2HD2 LEU 123 12.588 -12.602 -15.093 951 H GLU 124 H GLU 124 16.125 -12.555 -12.624 952 HA GLU 124 HA GLU 124 17.846 -14.533 -11.367 953 HB2 GLU 124 1HB GLU 124 17.998 -11.508 -11.322 954 HB3 GLU 124 2HB GLU 124 19.236 -12.612 -10.733 955 HG2 GLU 124 1HG GLU 124 19.495 -13.498 -13.014 956 HG3 GLU 124 2HG GLU 124 18.309 -12.326 -13.583 957 H HIS 125 H HIS 125 15.867 -15.204 -10.203 958 HA HIS 125 HA HIS 125 14.489 -13.679 -8.366 959 HB2 HIS 125 1HB HIS 125 13.850 -15.838 -7.291 960 HB3 HIS 125 2HB HIS 125 13.608 -15.794 -9.030 961 HD1 HIS 125 HD1 HIS 125 14.341 -18.210 -6.782 962 HD2 HIS 125 HD2 HIS 125 16.464 -16.860 -10.096 963 HE1 HIS 125 HE1 HIS 125 15.856 -20.107 -7.444 964 HE2 HIS 125 HE2 HIS 125 17.265 -19.193 -9.325 965 H HIS 126 H HIS 126 15.281 -12.507 -6.872 966 HA HIS 126 HA HIS 126 17.088 -13.720 -4.883 967 HB2 HIS 126 1HB HIS 126 18.137 -11.479 -4.584 968 HB3 HIS 126 2HB HIS 126 18.424 -12.162 -6.180 969 HD1 HIS 126 HD1 HIS 126 16.930 -11.128 -8.155 970 HD2 HIS 126 HD2 HIS 126 16.962 -9.000 -4.583 971 HE1 HIS 126 HE1 HIS 126 16.064 -8.839 -8.723 972 HE2 HIS 126 HE2 HIS 126 16.284 -7.516 -6.594 973 H HIS 127 H HIS 127 14.387 -11.707 -5.666 974 HA HIS 127 HA HIS 127 13.739 -11.312 -2.832 975 HB2 HIS 127 1HB HIS 127 13.412 -9.409 -4.358 976 HB3 HIS 127 2HB HIS 127 12.349 -10.380 -5.365 977 HD1 HIS 127 HD1 HIS 127 9.925 -10.405 -4.779 978 HD2 HIS 127 HD2 HIS 127 12.283 -8.736 -1.784 979 HE1 HIS 127 HE1 HIS 127 8.314 -9.426 -3.109 980 HE2 HIS 127 HE2 HIS 127 9.773 -8.169 -1.480 981 H HIS 128 H HIS 128 13.298 -13.435 -2.206 982 HA HIS 128 HA HIS 128 11.201 -14.828 -3.735 983 HB2 HIS 128 1HB HIS 128 12.516 -16.910 -3.627 984 HB3 HIS 128 2HB HIS 128 13.352 -15.651 -4.529 985 HD1 HIS 128 HD1 HIS 128 13.631 -17.800 -1.517 986 HD2 HIS 128 HD2 HIS 128 15.652 -14.591 -3.222 987 HE1 HIS 128 HE1 HIS 128 15.826 -17.654 -0.300 988 HE2 HIS 128 HE2 HIS 128 16.925 -15.566 -1.192 989 H HIS 129 H HIS 129 11.862 -13.633 -0.817 990 HA HIS 129 HA HIS 129 11.523 -14.162 1.370 991 HB2 HIS 129 1HB HIS 129 9.301 -15.152 1.894 992 HB3 HIS 129 2HB HIS 129 9.225 -13.810 0.769 993 HD1 HIS 129 HD1 HIS 129 8.989 -17.625 0.762 994 HD2 HIS 129 HD2 HIS 129 7.889 -14.331 -1.540 995 HE1 HIS 129 HE1 HIS 129 7.484 -18.520 -1.036 996 HE2 HIS 129 HE2 HIS 129 6.689 -16.493 -2.306 997 H HIS 130 H HIS 130 10.294 -16.410 2.614 998 HA HIS 130 HA HIS 130 12.442 -18.293 2.535 999 HB2 HIS 130 1HB HIS 130 9.822 -18.197 4.000 1000 HB3 HIS 130 2HB HIS 130 10.773 -19.676 3.984 1001 HD1 HIS 130 HD1 HIS 130 13.338 -19.339 4.890 1002 HD2 HIS 130 HD2 HIS 130 10.531 -16.463 5.964 1003 HE1 HIS 130 HE1 HIS 130 14.320 -18.139 6.867 1004 HE2 HIS 130 HE2 HIS 130 12.485 -16.609 7.658 Start of MODEL 8 1 H1 MET 1 1H MET 1 5.166 -22.165 15.950 2 H2 MET 1 2H MET 1 4.611 -23.179 17.195 3 H3 MET 1 3H MET 1 4.727 -23.761 15.606 4 HA MET 1 HA MET 1 7.103 -23.595 15.633 5 HB2 MET 1 1HB MET 1 6.717 -22.653 18.486 6 HB3 MET 1 2HB MET 1 8.264 -22.972 17.714 7 HG2 MET 1 1HG MET 1 6.292 -20.817 17.004 8 HG3 MET 1 2HG MET 1 7.882 -20.615 17.740 9 HE1 MET 1 3HE MET 1 6.760 -19.090 15.114 10 HE2 MET 1 1HE MET 1 8.207 -19.095 14.104 11 HE3 MET 1 2HE MET 1 8.337 -18.751 15.829 12 H ASN 2 H ASN 2 8.195 -24.714 18.242 13 HA ASN 2 HA ASN 2 7.535 -27.420 17.880 14 HB2 ASN 2 1HB ASN 2 8.768 -27.912 19.859 15 HB3 ASN 2 2HB ASN 2 9.572 -26.554 19.086 16 HD21 ASN 2 2HD2 ASN 2 7.856 -24.490 19.970 17 HD22 ASN 2 1HD2 ASN 2 8.035 -24.329 21.680 18 H ASP 3 H ASP 3 5.897 -24.947 19.571 19 HA ASP 3 HA ASP 3 4.201 -26.415 21.256 20 HB2 ASP 3 1HB ASP 3 2.623 -24.370 20.607 21 HB3 ASP 3 2HB ASP 3 4.034 -24.153 21.639 22 H ASP 4 H ASP 4 4.371 -26.159 17.867 23 HA ASP 4 HA ASP 4 3.320 -27.183 16.168 24 HB2 ASP 4 1HB ASP 4 3.394 -29.223 17.459 25 HB3 ASP 4 2HB ASP 4 1.960 -28.746 18.363 26 H VAL 5 H VAL 5 2.133 -25.810 15.065 27 HA VAL 5 HA VAL 5 -0.534 -25.134 16.059 28 HB VAL 5 HB VAL 5 0.711 -23.235 15.212 29 HG11 VAL 5 1HG1 VAL 5 2.226 -24.371 13.687 30 HG12 VAL 5 2HG1 VAL 5 1.395 -23.045 12.874 31 HG13 VAL 5 3HG1 VAL 5 0.886 -24.709 12.591 32 HG21 VAL 5 3HG2 VAL 5 -1.497 -24.041 13.328 33 HG22 VAL 5 1HG2 VAL 5 -0.871 -22.404 13.529 34 HG23 VAL 5 2HG2 VAL 5 -1.685 -23.207 14.871 35 H ASP 6 H ASP 6 -2.113 -26.451 15.569 36 HA ASP 6 HA ASP 6 -1.786 -28.348 13.384 37 HB2 ASP 6 1HB ASP 6 -3.678 -29.528 14.410 38 HB3 ASP 6 2HB ASP 6 -2.426 -29.195 15.603 39 H ILE 7 H ILE 7 -4.653 -28.787 13.108 40 HA ILE 7 HA ILE 7 -5.211 -27.056 10.960 41 HB ILE 7 HB ILE 7 -7.192 -28.711 12.544 42 HG12 ILE 7 1HG1 ILE 7 -5.582 -29.478 10.094 43 HG13 ILE 7 2HG1 ILE 7 -5.245 -30.030 11.732 44 HG21 ILE 7 1HG2 ILE 7 -8.264 -27.095 11.081 45 HG22 ILE 7 2HG2 ILE 7 -8.483 -28.730 10.455 46 HG23 ILE 7 3HG2 ILE 7 -7.293 -27.656 9.717 47 HD11 ILE 7 3HD1 ILE 7 -6.419 -31.726 10.454 48 HD12 ILE 7 1HD1 ILE 7 -7.744 -30.603 10.152 49 HD13 ILE 7 2HD1 ILE 7 -7.413 -31.156 11.794 50 H GLN 8 H GLN 8 -5.937 -26.947 14.360 51 HA GLN 8 HA GLN 8 -7.865 -24.885 14.360 52 HB2 GLN 8 1HB GLN 8 -7.400 -26.381 16.268 53 HB3 GLN 8 2HB GLN 8 -5.821 -25.639 16.457 54 HG2 GLN 8 1HG GLN 8 -6.902 -23.499 16.970 55 HG3 GLN 8 2HG GLN 8 -8.477 -24.280 16.821 56 HE21 GLN 8 2HE2 GLN 8 -5.699 -25.881 18.179 57 HE22 GLN 8 1HE2 GLN 8 -6.276 -25.922 19.809 58 H GLN 9 H GLN 9 -7.663 -22.728 14.144 59 HA GLN 9 HA GLN 9 -5.003 -21.703 13.510 60 HB2 GLN 9 1HB GLN 9 -6.226 -19.798 12.509 61 HB3 GLN 9 2HB GLN 9 -6.704 -21.344 11.821 62 HG2 GLN 9 1HG GLN 9 -8.676 -21.338 13.326 63 HG3 GLN 9 2HG GLN 9 -8.222 -19.715 13.843 64 HE21 GLN 9 2HE2 GLN 9 -7.295 -18.975 11.149 65 HE22 GLN 9 1HE2 GLN 9 -8.733 -18.717 10.217 66 H SER 10 H SER 10 -4.523 -19.441 14.162 67 HA SER 10 HA SER 10 -5.319 -19.008 16.956 68 HB2 SER 10 1HB SER 10 -2.909 -19.164 16.596 69 HB3 SER 10 2HB SER 10 -2.982 -17.918 15.353 70 HG SER 10 HG SER 10 -4.007 -16.676 17.272 71 H TYR 11 H TYR 11 -6.215 -18.100 13.978 72 HA TYR 11 HA TYR 11 -7.248 -16.374 12.982 73 HB2 TYR 11 1HB TYR 11 -7.970 -15.976 15.839 74 HB3 TYR 11 2HB TYR 11 -8.307 -14.656 14.720 75 HD1 TYR 11 HD2 TYR 11 -9.702 -15.142 12.682 76 HD2 TYR 11 HD1 TYR 11 -9.390 -17.869 15.929 77 HE1 TYR 11 HE2 TYR 11 -11.736 -16.275 11.908 78 HE2 TYR 11 HE1 TYR 11 -11.431 -19.020 15.164 79 HH TYR 11 HH TYR 11 -12.796 -18.477 12.086 80 HA PRO 12 HA PRO 12 -3.797 -13.468 13.341 81 HB2 PRO 12 1HB PRO 12 -2.816 -13.803 10.876 82 HB3 PRO 12 2HB PRO 12 -2.491 -14.977 12.157 83 HG2 PRO 12 1HG PRO 12 -4.355 -15.158 9.849 84 HG3 PRO 12 2HG PRO 12 -3.437 -16.437 10.659 85 HD2 PRO 12 1HD PRO 12 -6.158 -15.790 11.063 86 HD3 PRO 12 2HD PRO 12 -5.169 -16.889 12.045 87 H PHE 13 H PHE 13 -3.659 -11.373 12.526 88 HA PHE 13 HA PHE 13 -6.011 -10.440 11.126 89 HB2 PHE 13 1HB PHE 13 -3.650 -8.936 12.277 90 HB3 PHE 13 2HB PHE 13 -5.083 -8.183 11.577 91 HD1 PHE 13 HD1 PHE 13 -7.283 -8.484 12.657 92 HD2 PHE 13 HD2 PHE 13 -3.666 -9.794 14.486 93 HE1 PHE 13 HE1 PHE 13 -8.442 -8.661 14.825 94 HE2 PHE 13 HE2 PHE 13 -4.816 -9.963 16.656 95 HZ PHE 13 HZ PHE 13 -7.210 -9.401 16.825 96 H SER 14 H SER 14 -6.076 -9.577 9.118 97 HA SER 14 HA SER 14 -3.674 -9.393 7.509 98 HB2 SER 14 1HB SER 14 -4.402 -11.808 7.437 99 HB3 SER 14 2HB SER 14 -5.915 -11.273 6.711 100 HG SER 14 HG SER 14 -4.306 -11.954 5.180 101 H ILE 15 H ILE 15 -4.395 -8.751 5.176 102 HA ILE 15 HA ILE 15 -6.730 -6.981 5.354 103 HB ILE 15 HB ILE 15 -3.959 -6.164 4.455 104 HG12 ILE 15 1HG1 ILE 15 -5.754 -5.284 6.727 105 HG13 ILE 15 2HG1 ILE 15 -4.216 -6.127 6.859 106 HG21 ILE 15 1HG2 ILE 15 -5.640 -5.225 2.950 107 HG22 ILE 15 2HG2 ILE 15 -4.916 -3.969 3.956 108 HG23 ILE 15 3HG2 ILE 15 -6.526 -4.580 4.334 109 HD11 ILE 15 3HD1 ILE 15 -4.597 -3.329 5.827 110 HD12 ILE 15 1HD1 ILE 15 -3.056 -4.166 6.024 111 HD13 ILE 15 2HD1 ILE 15 -4.035 -3.771 7.439 112 H GLU 16 H GLU 16 -7.955 -6.927 3.588 113 HA GLU 16 HA GLU 16 -6.992 -8.349 1.205 114 HB2 GLU 16 1HB GLU 16 -9.350 -8.552 0.580 115 HB3 GLU 16 2HB GLU 16 -9.076 -9.197 2.193 116 HG2 GLU 16 1HG GLU 16 -9.906 -7.064 3.136 117 HG3 GLU 16 2HG GLU 16 -10.282 -6.535 1.495 118 H THR 17 H THR 17 -7.372 -7.403 -0.872 119 HA THR 17 HA THR 17 -7.579 -4.466 -0.799 120 HB THR 17 HB THR 17 -5.747 -4.450 -2.568 121 HG1 THR 17 HG1 THR 17 -5.467 -7.105 -1.570 122 HG21 THR 17 3HG2 THR 17 -3.943 -4.512 -0.916 123 HG22 THR 17 1HG2 THR 17 -5.001 -5.356 0.215 124 HG23 THR 17 2HG2 THR 17 -5.365 -3.700 -0.263 125 H MET 18 H MET 18 -8.162 -3.477 -2.805 126 HA MET 18 HA MET 18 -9.675 -5.230 -4.588 127 HB2 MET 18 1HB MET 18 -9.526 -2.209 -4.435 128 HB3 MET 18 2HB MET 18 -10.536 -3.108 -5.560 129 HG2 MET 18 1HG MET 18 -11.727 -4.111 -3.661 130 HG3 MET 18 2HG MET 18 -10.744 -3.153 -2.559 131 HE1 MET 18 3HE MET 18 -12.939 -2.202 -1.407 132 HE2 MET 18 1HE MET 18 -13.947 -3.149 -2.507 133 HE3 MET 18 2HE MET 18 -14.252 -1.426 -2.293 134 HA PRO 19 HA PRO 19 -6.227 -5.657 -7.304 135 HB2 PRO 19 1HB PRO 19 -8.381 -5.996 -9.336 136 HB3 PRO 19 2HB PRO 19 -6.994 -7.033 -8.979 137 HG2 PRO 19 1HG PRO 19 -9.417 -7.729 -8.163 138 HG3 PRO 19 2HG PRO 19 -8.011 -7.970 -7.109 139 HD2 PRO 19 1HD PRO 19 -10.131 -5.861 -6.989 140 HD3 PRO 19 2HD PRO 19 -9.319 -6.723 -5.665 141 H VAL 20 H VAL 20 -5.032 -4.328 -8.486 142 HA VAL 20 HA VAL 20 -6.207 -1.817 -9.397 143 HB VAL 20 HB VAL 20 -3.882 -1.027 -9.576 144 HG11 VAL 20 1HG1 VAL 20 -4.531 -2.340 -6.941 145 HG12 VAL 20 2HG1 VAL 20 -5.042 -0.736 -7.468 146 HG13 VAL 20 3HG1 VAL 20 -3.333 -1.069 -7.182 147 HG21 VAL 20 3HG2 VAL 20 -2.799 -3.127 -10.172 148 HG22 VAL 20 1HG2 VAL 20 -3.146 -3.777 -8.569 149 HG23 VAL 20 2HG2 VAL 20 -2.036 -2.418 -8.748 150 HA PRO 21 HA PRO 21 -5.649 -2.564 -13.787 151 HB2 PRO 21 1HB PRO 21 -4.006 -0.104 -13.939 152 HB3 PRO 21 2HB PRO 21 -5.494 -0.515 -14.796 153 HG2 PRO 21 1HG PRO 21 -5.493 1.280 -12.821 154 HG3 PRO 21 2HG PRO 21 -6.849 0.158 -13.046 155 HD2 PRO 21 1HD PRO 21 -4.619 0.066 -11.054 156 HD3 PRO 21 2HD PRO 21 -6.338 -0.327 -10.842 157 H LYS 22 H LYS 22 -4.075 -3.278 -15.286 158 HA LYS 22 HA LYS 22 -1.554 -3.988 -13.975 159 HB2 LYS 22 1HB LYS 22 -3.022 -5.171 -16.325 160 HB3 LYS 22 2HB LYS 22 -1.357 -5.599 -15.956 161 HG2 LYS 22 1HG LYS 22 -2.762 -7.277 -15.021 162 HG3 LYS 22 2HG LYS 22 -2.124 -6.318 -13.685 163 HD2 LYS 22 1HD LYS 22 -4.275 -4.997 -13.776 164 HD3 LYS 22 2HD LYS 22 -4.880 -6.222 -14.888 165 HE2 LYS 22 1HE LYS 22 -3.888 -6.761 -12.092 166 HE3 LYS 22 2HE LYS 22 -5.581 -6.604 -12.554 167 HZ1 LYS 22 3HZ LYS 22 -5.215 -8.873 -12.547 168 HZ2 LYS 22 1HZ LYS 22 -3.674 -8.753 -13.249 169 HZ3 LYS 22 2HZ LYS 22 -5.059 -8.482 -14.188 170 H LYS 23 H LYS 23 -2.820 -1.964 -16.387 171 HA LYS 23 HA LYS 23 -0.100 -1.107 -17.050 172 HB2 LYS 23 1HB LYS 23 -2.274 -1.811 -18.998 173 HB3 LYS 23 2HB LYS 23 -1.061 -0.610 -19.414 174 HG2 LYS 23 1HG LYS 23 -0.485 -3.457 -18.615 175 HG3 LYS 23 2HG LYS 23 -0.504 -2.838 -20.267 176 HD2 LYS 23 1HD LYS 23 1.293 -1.247 -19.645 177 HD3 LYS 23 2HD LYS 23 1.348 -1.979 -18.041 178 HE2 LYS 23 1HE LYS 23 3.116 -2.873 -19.449 179 HE3 LYS 23 2HE LYS 23 1.948 -4.131 -19.052 180 HZ1 LYS 23 3HZ LYS 23 2.646 -4.150 -21.398 181 HZ2 LYS 23 1HZ LYS 23 1.974 -2.605 -21.601 182 HZ3 LYS 23 2HZ LYS 23 0.974 -3.921 -21.219 183 H LEU 24 H LEU 24 0.120 0.945 -16.517 184 HA LEU 24 HA LEU 24 -2.219 2.723 -16.713 185 HB2 LEU 24 1HB LEU 24 -0.080 2.782 -14.575 186 HB3 LEU 24 2HB LEU 24 -1.382 3.942 -14.739 187 HG LEU 24 HG LEU 24 -2.915 1.831 -14.458 188 HD11 LEU 24 1HD1 LEU 24 -0.373 0.922 -13.118 189 HD12 LEU 24 2HD1 LEU 24 -1.111 0.188 -14.543 190 HD13 LEU 24 3HD1 LEU 24 -1.952 0.144 -12.993 191 HD21 LEU 24 3HD2 LEU 24 -2.806 3.734 -12.923 192 HD22 LEU 24 1HD2 LEU 24 -1.390 3.024 -12.148 193 HD23 LEU 24 2HD2 LEU 24 -2.949 2.204 -12.058 194 H LYS 25 H LYS 25 -1.548 5.063 -16.761 195 HA LYS 25 HA LYS 25 0.731 5.446 -18.541 196 HB2 LYS 25 1HB LYS 25 -1.489 7.263 -17.595 197 HB3 LYS 25 2HB LYS 25 -0.129 7.847 -18.543 198 HG2 LYS 25 1HG LYS 25 -1.965 5.653 -19.468 199 HG3 LYS 25 2HG LYS 25 -2.225 7.362 -19.829 200 HD2 LYS 25 1HD LYS 25 0.072 7.396 -20.837 201 HD3 LYS 25 2HD LYS 25 0.116 5.643 -20.639 202 HE2 LYS 25 1HE LYS 25 -1.938 7.177 -22.233 203 HE3 LYS 25 2HE LYS 25 -0.563 6.310 -22.911 204 HZ1 LYS 25 3HZ LYS 25 -1.473 4.254 -21.953 205 HZ2 LYS 25 1HZ LYS 25 -2.536 4.967 -23.069 206 HZ3 LYS 25 2HZ LYS 25 -2.832 5.112 -21.406 207 H VAL 26 H VAL 26 2.309 7.159 -18.089 208 HA VAL 26 HA VAL 26 3.112 7.261 -15.336 209 HB VAL 26 HB VAL 26 4.144 8.881 -17.678 210 HG11 VAL 26 1HG1 VAL 26 4.647 9.940 -15.539 211 HG12 VAL 26 2HG1 VAL 26 6.109 9.282 -16.273 212 HG13 VAL 26 3HG1 VAL 26 5.332 8.429 -14.940 213 HG21 VAL 26 3HG2 VAL 26 5.987 7.277 -17.714 214 HG22 VAL 26 1HG2 VAL 26 4.438 6.481 -17.998 215 HG23 VAL 26 2HG2 VAL 26 5.215 6.359 -16.419 216 H GLY 27 H GLY 27 2.175 8.484 -13.876 217 HA2 GLY 27 1HA GLY 27 1.509 10.707 -13.121 218 HA3 GLY 27 2HA GLY 27 0.904 11.004 -14.747 219 H GLU 28 H GLU 28 0.070 7.975 -14.414 220 HA GLU 28 HA GLU 28 -2.637 8.563 -13.587 221 HB2 GLU 28 1HB GLU 28 -2.206 7.096 -15.516 222 HB3 GLU 28 2HB GLU 28 -1.342 5.974 -14.477 223 HG2 GLU 28 1HG GLU 28 -3.623 5.237 -15.021 224 HG3 GLU 28 2HG GLU 28 -3.353 5.437 -13.291 225 H THR 29 H THR 29 -3.680 7.659 -11.788 226 HA THR 29 HA THR 29 -1.857 6.566 -9.747 227 HB THR 29 HB THR 29 -4.071 8.566 -9.238 228 HG1 THR 29 HG1 THR 29 -1.744 9.035 -10.261 229 HG21 THR 29 3HG2 THR 29 -1.934 7.444 -7.414 230 HG22 THR 29 1HG2 THR 29 -3.655 7.062 -7.346 231 HG23 THR 29 2HG2 THR 29 -3.099 8.697 -6.986 232 H ALA 30 H ALA 30 -2.479 4.660 -9.054 233 HA ALA 30 HA ALA 30 -5.247 3.801 -9.466 234 HB1 ALA 30 3HB ALA 30 -2.825 2.186 -8.665 235 HB2 ALA 30 1HB ALA 30 -3.466 2.337 -10.301 236 HB3 ALA 30 2HB ALA 30 -4.423 1.546 -9.050 237 H GLU 31 H GLU 31 -6.648 3.697 -7.829 238 HA GLU 31 HA GLU 31 -5.697 4.213 -5.135 239 HB2 GLU 31 1HB GLU 31 -7.652 5.442 -5.934 240 HB3 GLU 31 2HB GLU 31 -8.508 3.929 -6.211 241 HG2 GLU 31 1HG GLU 31 -8.299 3.454 -3.774 242 HG3 GLU 31 2HG GLU 31 -7.639 5.076 -3.569 243 H ILE 32 H ILE 32 -4.821 2.430 -4.259 244 HA ILE 32 HA ILE 32 -6.098 -0.161 -4.503 245 HB ILE 32 HB ILE 32 -3.841 0.579 -2.636 246 HG12 ILE 32 1HG1 ILE 32 -3.637 -0.386 -5.497 247 HG13 ILE 32 2HG1 ILE 32 -3.269 1.244 -4.951 248 HG21 ILE 32 1HG2 ILE 32 -3.285 -1.795 -2.795 249 HG22 ILE 32 2HG2 ILE 32 -4.641 -2.045 -3.894 250 HG23 ILE 32 3HG2 ILE 32 -4.938 -1.568 -2.222 251 HD11 ILE 32 3HD1 ILE 32 -1.251 -0.074 -5.286 252 HD12 ILE 32 1HD1 ILE 32 -1.823 -1.256 -4.110 253 HD13 ILE 32 2HD1 ILE 32 -1.443 0.387 -3.593 254 H ARG 33 H ARG 33 -8.052 -0.139 -3.466 255 HA ARG 33 HA ARG 33 -8.309 1.090 -0.863 256 HB2 ARG 33 1HB ARG 33 -10.126 1.129 -2.613 257 HB3 ARG 33 2HB ARG 33 -10.353 -0.589 -2.319 258 HG2 ARG 33 1HG ARG 33 -11.157 -0.228 -0.150 259 HG3 ARG 33 2HG ARG 33 -10.545 1.426 -0.106 260 HD2 ARG 33 1HD ARG 33 -12.782 0.400 -1.851 261 HD3 ARG 33 2HD ARG 33 -12.968 1.390 -0.403 262 HE ARG 33 HE ARG 33 -11.509 2.363 -2.781 263 HH11 ARG 33 1HH1 ARG 33 -13.946 2.793 -0.302 264 HH12 ARG 33 2HH1 ARG 33 -14.305 4.426 -0.766 265 HH21 ARG 33 1HH2 ARG 33 -11.956 4.517 -3.376 266 HH22 ARG 33 2HH2 ARG 33 -13.170 5.409 -2.496 267 H CYS 34 H CYS 34 -7.941 0.107 0.992 268 HA CYS 34 HA CYS 34 -7.598 -2.819 0.944 269 HB2 CYS 34 1HB CYS 34 -6.067 -0.846 2.646 270 HB3 CYS 34 2HB CYS 34 -5.747 -2.568 2.468 271 HG CYS 34 HG CYS 34 -5.485 -0.378 -0.146 272 H GLN 35 H GLN 35 -8.598 -3.983 2.486 273 HA GLN 35 HA GLN 35 -9.831 -2.518 4.725 274 HB2 GLN 35 1HB GLN 35 -10.965 -4.846 3.168 275 HB3 GLN 35 2HB GLN 35 -11.649 -4.240 4.669 276 HG2 GLN 35 1HG GLN 35 -11.354 -2.670 2.124 277 HG3 GLN 35 2HG GLN 35 -12.839 -3.416 2.705 278 HE21 GLN 35 2HE2 GLN 35 -12.292 -2.742 5.489 279 HE22 GLN 35 1HE2 GLN 35 -12.567 -1.038 5.638 280 H LEU 36 H LEU 36 -9.074 -3.111 6.608 281 HA LEU 36 HA LEU 36 -7.511 -5.532 6.888 282 HB2 LEU 36 1HB LEU 36 -6.689 -3.614 8.058 283 HB3 LEU 36 2HB LEU 36 -8.245 -3.337 8.818 284 HG LEU 36 HG LEU 36 -7.644 -5.868 9.663 285 HD11 LEU 36 1HD1 LEU 36 -5.380 -5.854 10.508 286 HD12 LEU 36 2HD1 LEU 36 -5.072 -4.315 9.693 287 HD13 LEU 36 3HD1 LEU 36 -5.400 -5.768 8.744 288 HD21 LEU 36 3HD2 LEU 36 -7.180 -4.833 11.822 289 HD22 LEU 36 1HD2 LEU 36 -8.564 -4.090 11.021 290 HD23 LEU 36 2HD2 LEU 36 -7.004 -3.267 11.027 291 H HIS 37 H HIS 37 -8.086 -7.362 7.894 292 HA HIS 37 HA HIS 37 -10.861 -7.654 8.724 293 HB2 HIS 37 1HB HIS 37 -9.921 -9.380 7.270 294 HB3 HIS 37 2HB HIS 37 -8.639 -9.694 8.435 295 HD1 HIS 37 HD1 HIS 37 -12.396 -10.037 8.077 296 HD2 HIS 37 HD2 HIS 37 -9.259 -11.523 10.360 297 HE1 HIS 37 HE1 HIS 37 -13.381 -11.894 9.455 298 HE2 HIS 37 HE2 HIS 37 -11.536 -12.513 11.062 299 H ARG 38 H ARG 38 -11.223 -6.890 10.705 300 HA ARG 38 HA ARG 38 -9.361 -7.654 12.869 301 HB2 ARG 38 1HB ARG 38 -9.229 -5.259 12.492 302 HB3 ARG 38 2HB ARG 38 -10.979 -5.115 12.551 303 HG2 ARG 38 1HG ARG 38 -10.172 -4.311 14.612 304 HG3 ARG 38 2HG ARG 38 -10.860 -5.900 14.937 305 HD2 ARG 38 1HD ARG 38 -8.837 -5.824 16.139 306 HD3 ARG 38 2HD ARG 38 -8.506 -6.812 14.716 307 HE ARG 38 HE ARG 38 -7.842 -4.119 14.182 308 HH11 ARG 38 1HH1 ARG 38 -6.711 -6.822 16.120 309 HH12 ARG 38 2HH1 ARG 38 -5.044 -6.346 16.032 310 HH21 ARG 38 1HH2 ARG 38 -5.661 -3.487 14.122 311 HH22 ARG 38 2HH2 ARG 38 -4.431 -4.487 14.852 312 H ASP 39 H ASP 39 -10.344 -9.332 13.847 313 HA ASP 39 HA ASP 39 -13.205 -9.234 14.392 314 HB2 ASP 39 1HB ASP 39 -11.148 -11.366 15.014 315 HB3 ASP 39 2HB ASP 39 -12.865 -11.497 15.373 316 H GLY 40 H GLY 40 -10.336 -9.984 16.379 317 HA2 GLY 40 1HA GLY 40 -11.552 -9.186 18.814 318 HA3 GLY 40 2HA GLY 40 -9.830 -9.435 18.558 319 H ARG 41 H ARG 41 -12.289 -7.162 19.027 320 HA ARG 41 HA ARG 41 -11.060 -4.959 17.677 321 HB2 ARG 41 1HB ARG 41 -12.805 -3.598 18.699 322 HB3 ARG 41 2HB ARG 41 -13.493 -5.063 18.012 323 HG2 ARG 41 1HG ARG 41 -13.650 -6.057 20.211 324 HG3 ARG 41 2HG ARG 41 -12.867 -4.649 20.928 325 HD2 ARG 41 1HD ARG 41 -14.759 -3.264 20.048 326 HD3 ARG 41 2HD ARG 41 -15.556 -4.765 19.575 327 HE ARG 41 HE ARG 41 -14.885 -5.021 22.260 328 HH11 ARG 41 1HH1 ARG 41 -16.962 -3.028 20.266 329 HH12 ARG 41 2HH1 ARG 41 -18.081 -2.680 21.553 330 HH21 ARG 41 1HH2 ARG 41 -16.337 -4.540 23.961 331 HH22 ARG 41 2HH2 ARG 41 -17.733 -3.556 23.641 332 H PHE 42 H PHE 42 -9.637 -3.543 18.395 333 HA PHE 42 HA PHE 42 -9.200 -3.174 21.254 334 HB2 PHE 42 1HB PHE 42 -7.003 -3.919 19.308 335 HB3 PHE 42 2HB PHE 42 -6.708 -3.254 20.908 336 HD1 PHE 42 HD2 PHE 42 -7.662 -4.564 22.905 337 HD2 PHE 42 HD1 PHE 42 -7.182 -6.210 19.007 338 HE1 PHE 42 HE2 PHE 42 -7.715 -6.834 23.859 339 HE2 PHE 42 HE1 PHE 42 -7.233 -8.478 19.954 340 HZ PHE 42 HZ PHE 42 -7.498 -8.795 22.385 341 H GLU 43 H GLU 43 -7.932 -2.299 18.068 342 HA GLU 43 HA GLU 43 -7.770 -0.361 16.940 343 HB2 GLU 43 1HB GLU 43 -10.031 0.168 17.836 344 HB3 GLU 43 2HB GLU 43 -9.261 0.976 19.198 345 HG2 GLU 43 1HG GLU 43 -8.286 2.616 17.768 346 HG3 GLU 43 2HG GLU 43 -8.795 1.738 16.327 347 H GLU 44 H GLU 44 -7.004 -0.193 20.390 348 HA GLU 44 HA GLU 44 -5.042 1.813 20.221 349 HB2 GLU 44 1HB GLU 44 -4.064 0.751 22.258 350 HB3 GLU 44 2HB GLU 44 -5.786 1.080 22.389 351 HG2 GLU 44 1HG GLU 44 -6.344 -1.196 22.123 352 HG3 GLU 44 2HG GLU 44 -4.711 -1.609 21.602 353 H THR 45 H THR 45 -5.090 -1.517 19.387 354 HA THR 45 HA THR 45 -2.383 -2.001 18.859 355 HB THR 45 HB THR 45 -4.755 -3.077 17.315 356 HG1 THR 45 HG1 THR 45 -3.622 -3.984 19.775 357 HG21 THR 45 3HG2 THR 45 -2.597 -3.660 16.354 358 HG22 THR 45 1HG2 THR 45 -3.349 -5.080 17.079 359 HG23 THR 45 2HG2 THR 45 -2.039 -4.248 17.921 360 H LYS 46 H LYS 46 -1.100 -0.939 17.461 361 HA LYS 46 HA LYS 46 -2.416 0.859 15.576 362 HB2 LYS 46 1HB LYS 46 0.341 0.887 16.792 363 HB3 LYS 46 2HB LYS 46 -0.179 2.013 15.542 364 HG2 LYS 46 1HG LYS 46 -1.929 2.854 16.989 365 HG3 LYS 46 2HG LYS 46 -1.488 1.685 18.234 366 HD2 LYS 46 1HD LYS 46 0.701 2.724 18.458 367 HD3 LYS 46 2HD LYS 46 0.306 3.863 17.166 368 HE2 LYS 46 1HE LYS 46 0.041 4.872 19.384 369 HE3 LYS 46 2HE LYS 46 -1.488 4.798 18.514 370 HZ1 LYS 46 3HZ LYS 46 -1.640 4.147 20.883 371 HZ2 LYS 46 1HZ LYS 46 -0.642 2.814 20.557 372 HZ3 LYS 46 2HZ LYS 46 -2.164 2.936 19.821 373 H TYR 47 H TYR 47 -1.920 1.007 13.470 374 HA TYR 47 HA TYR 47 -0.717 -1.387 12.299 375 HB2 TYR 47 1HB TYR 47 -2.313 0.754 10.887 376 HB3 TYR 47 2HB TYR 47 -1.979 -0.884 10.336 377 HD1 TYR 47 HD1 TYR 47 -3.105 -2.797 11.406 378 HD2 TYR 47 HD2 TYR 47 -4.143 1.219 12.349 379 HE1 TYR 47 HE1 TYR 47 -5.194 -3.580 12.419 380 HE2 TYR 47 HE2 TYR 47 -6.247 0.446 13.364 381 HH TYR 47 HH TYR 47 -7.752 -1.475 13.296 382 H PHE 48 H PHE 48 1.193 -1.288 11.282 383 HA PHE 48 HA PHE 48 2.200 1.374 10.519 384 HB2 PHE 48 1HB PHE 48 3.750 -1.002 11.565 385 HB3 PHE 48 2HB PHE 48 4.489 0.462 10.921 386 HD1 PHE 48 HD1 PHE 48 4.132 2.632 12.093 387 HD2 PHE 48 HD2 PHE 48 2.925 -1.089 13.774 388 HE1 PHE 48 HE1 PHE 48 3.984 3.685 14.310 389 HE2 PHE 48 HE2 PHE 48 2.774 -0.041 15.995 390 HZ PHE 48 HZ PHE 48 3.305 2.348 16.266 391 H ILE 49 H ILE 49 2.538 1.653 8.448 392 HA ILE 49 HA ILE 49 2.770 -0.728 6.735 393 HB ILE 49 HB ILE 49 0.788 0.640 6.260 394 HG12 ILE 49 1HG1 ILE 49 2.912 0.811 4.111 395 HG13 ILE 49 2HG1 ILE 49 1.860 -0.565 4.413 396 HG21 ILE 49 1HG2 ILE 49 2.742 2.851 5.640 397 HG22 ILE 49 2HG2 ILE 49 1.640 2.798 7.016 398 HG23 ILE 49 3HG2 ILE 49 0.998 2.905 5.377 399 HD11 ILE 49 3HD1 ILE 49 1.128 0.748 2.494 400 HD12 ILE 49 1HD1 ILE 49 0.959 2.165 3.530 401 HD13 ILE 49 2HD1 ILE 49 -0.077 0.759 3.782 402 H ARG 50 H ARG 50 4.466 -0.948 5.397 403 HA ARG 50 HA ARG 50 6.084 1.328 4.633 404 HB2 ARG 50 1HB ARG 50 7.162 0.616 6.725 405 HB3 ARG 50 2HB ARG 50 7.285 -1.027 6.113 406 HG2 ARG 50 1HG ARG 50 8.744 -0.178 4.294 407 HG3 ARG 50 2HG ARG 50 8.699 1.411 5.059 408 HD2 ARG 50 1HD ARG 50 10.718 0.215 5.693 409 HD3 ARG 50 2HD ARG 50 9.671 0.447 7.093 410 HE ARG 50 HE ARG 50 8.989 -1.902 6.806 411 HH11 ARG 50 1HH1 ARG 50 11.955 -0.829 5.305 412 HH12 ARG 50 2HH1 ARG 50 12.676 -2.409 5.284 413 HH21 ARG 50 1HH2 ARG 50 9.921 -3.980 6.814 414 HH22 ARG 50 2HH2 ARG 50 11.529 -4.201 6.180 415 H TYR 51 H TYR 51 6.813 1.051 2.571 416 HA TYR 51 HA TYR 51 6.528 -1.651 1.460 417 HB2 TYR 51 1HB TYR 51 6.217 -0.685 -0.719 418 HB3 TYR 51 2HB TYR 51 5.108 0.099 0.393 419 HD1 TYR 51 HD2 TYR 51 5.412 2.449 0.995 420 HD2 TYR 51 HD1 TYR 51 8.024 0.538 -1.763 421 HE1 TYR 51 HE2 TYR 51 6.208 4.645 0.231 422 HE2 TYR 51 HE1 TYR 51 8.823 2.731 -2.538 423 HH TYR 51 HH TYR 51 7.992 5.682 -0.892 424 H PHE 52 H PHE 52 8.127 -2.471 0.118 425 HA PHE 52 HA PHE 52 10.780 -1.252 0.501 426 HB2 PHE 52 1HB PHE 52 10.452 -3.579 1.349 427 HB3 PHE 52 2HB PHE 52 10.063 -4.092 -0.290 428 HD1 PHE 52 HD2 PHE 52 12.758 -2.320 1.580 429 HD2 PHE 52 HD1 PHE 52 11.740 -4.994 -1.570 430 HE1 PHE 52 HE2 PHE 52 15.149 -2.718 1.146 431 HE2 PHE 52 HE1 PHE 52 14.125 -5.396 -2.007 432 HZ PHE 52 HZ PHE 52 15.832 -4.259 -0.648 433 H GLN 53 H GLN 53 11.903 -0.584 -1.266 434 HA GLN 53 HA GLN 53 10.572 -0.957 -3.865 435 HB2 GLN 53 1HB GLN 53 10.537 1.374 -2.771 436 HB3 GLN 53 2HB GLN 53 12.254 1.436 -3.138 437 HG2 GLN 53 1HG GLN 53 11.168 2.572 -4.884 438 HG3 GLN 53 2HG GLN 53 11.641 1.005 -5.538 439 HE21 GLN 53 2HE2 GLN 53 9.529 2.903 -6.336 440 HE22 GLN 53 1HE2 GLN 53 8.065 1.986 -6.326 441 HA PRO 54 HA PRO 54 14.851 -2.541 -4.473 442 HB2 PRO 54 1HB PRO 54 14.221 -4.902 -5.558 443 HB3 PRO 54 2HB PRO 54 14.151 -4.655 -3.808 444 HG2 PRO 54 1HG PRO 54 11.932 -4.704 -5.810 445 HG3 PRO 54 2HG PRO 54 11.979 -5.378 -4.172 446 HD2 PRO 54 1HD PRO 54 10.820 -2.955 -4.864 447 HD3 PRO 54 2HD PRO 54 11.338 -3.405 -3.228 448 H ASP 55 H ASP 55 12.138 -1.880 -6.400 449 HA ASP 55 HA ASP 55 13.659 -2.196 -8.898 450 HB2 ASP 55 1HB ASP 55 11.791 -3.819 -8.588 451 HB3 ASP 55 2HB ASP 55 10.670 -2.467 -8.502 452 H GLY 56 H GLY 56 12.991 -0.710 -10.637 453 HA2 GLY 56 1HA GLY 56 12.740 1.980 -9.589 454 HA3 GLY 56 2HA GLY 56 13.036 1.532 -11.264 455 H ALA 57 H ALA 57 10.550 1.694 -8.772 456 HA ALA 57 HA ALA 57 8.489 1.722 -10.867 457 HB1 ALA 57 3HB ALA 57 8.188 1.212 -7.911 458 HB2 ALA 57 1HB ALA 57 8.265 -0.027 -9.166 459 HB3 ALA 57 2HB ALA 57 6.915 1.106 -9.128 460 H GLY 58 H GLY 58 6.473 2.876 -9.132 461 HA2 GLY 58 1HA GLY 58 7.301 5.673 -9.515 462 HA3 GLY 58 2HA GLY 58 5.650 5.082 -9.535 463 H THR 59 H THR 59 4.831 6.457 -8.038 464 HA THR 59 HA THR 59 6.138 6.606 -5.407 465 HB THR 59 HB THR 59 3.948 8.419 -6.416 466 HG1 THR 59 HG1 THR 59 6.677 8.377 -7.051 467 HG21 THR 59 3HG2 THR 59 6.118 8.796 -4.350 468 HG22 THR 59 1HG2 THR 59 4.417 8.475 -4.012 469 HG23 THR 59 2HG2 THR 59 4.893 9.985 -4.789 470 H LEU 60 H LEU 60 5.034 6.032 -3.553 471 HA LEU 60 HA LEU 60 2.252 5.124 -3.898 472 HB2 LEU 60 1HB LEU 60 3.826 3.289 -3.384 473 HB3 LEU 60 2HB LEU 60 4.297 4.119 -1.913 474 HG LEU 60 HG LEU 60 2.012 3.867 -1.033 475 HD11 LEU 60 1HD1 LEU 60 0.401 2.444 -2.189 476 HD12 LEU 60 2HD1 LEU 60 1.500 2.305 -3.561 477 HD13 LEU 60 3HD1 LEU 60 0.801 3.870 -3.148 478 HD21 LEU 60 3HD2 LEU 60 2.076 1.464 -0.655 479 HD22 LEU 60 1HD2 LEU 60 3.694 2.156 -0.547 480 HD23 LEU 60 2HD2 LEU 60 3.208 1.270 -1.992 481 H LYS 61 H LYS 61 0.825 6.383 -2.948 482 HA LYS 61 HA LYS 61 1.684 8.011 -0.647 483 HB2 LYS 61 1HB LYS 61 -0.565 8.604 -2.571 484 HB3 LYS 61 2HB LYS 61 0.056 9.662 -1.317 485 HG2 LYS 61 1HG LYS 61 2.153 9.886 -2.502 486 HG3 LYS 61 2HG LYS 61 1.593 8.759 -3.739 487 HD2 LYS 61 1HD LYS 61 -0.285 10.322 -4.223 488 HD3 LYS 61 2HD LYS 61 0.443 11.471 -3.101 489 HE2 LYS 61 1HE LYS 61 2.472 11.518 -4.465 490 HE3 LYS 61 2HE LYS 61 1.745 10.370 -5.586 491 HZ1 LYS 61 3HZ LYS 61 0.790 13.122 -5.013 492 HZ2 LYS 61 1HZ LYS 61 -0.011 12.015 -6.018 493 HZ3 LYS 61 2HZ LYS 61 1.530 12.587 -6.445 494 H MET 62 H MET 62 0.216 8.316 1.053 495 HA MET 62 HA MET 62 -1.616 6.104 1.490 496 HB2 MET 62 1HB MET 62 -0.807 8.438 3.240 497 HB3 MET 62 2HB MET 62 -1.837 7.111 3.758 498 HG2 MET 62 1HG MET 62 -0.090 5.589 3.746 499 HG3 MET 62 2HG MET 62 0.902 6.591 2.688 500 HE1 MET 62 3HE MET 62 -0.536 6.182 6.345 501 HE2 MET 62 1HE MET 62 -1.124 7.768 5.842 502 HE3 MET 62 2HE MET 62 0.096 7.642 7.111 503 H SER 63 H SER 63 -3.819 6.524 2.284 504 HA SER 63 HA SER 63 -5.423 8.102 0.701 505 HB2 SER 63 1HB SER 63 -6.135 6.239 2.245 506 HB3 SER 63 2HB SER 63 -6.008 7.378 3.582 507 HG SER 63 HG SER 63 -7.672 8.556 2.740 508 H ASP 64 H ASP 64 -3.613 8.971 3.530 509 HA ASP 64 HA ASP 64 -4.951 11.407 4.138 510 HB2 ASP 64 1HB ASP 64 -2.101 10.658 4.816 511 HB3 ASP 64 2HB ASP 64 -3.137 11.798 5.668 512 H GLY 65 H GLY 65 -2.884 10.541 1.619 513 HA2 GLY 65 1HA GLY 65 -2.007 11.928 -0.056 514 HA3 GLY 65 2HA GLY 65 -2.306 13.324 0.973 515 H THR 66 H THR 66 -0.915 10.937 2.759 516 HA THR 66 HA THR 66 1.615 12.284 2.934 517 HB THR 66 HB THR 66 0.642 9.747 4.266 518 HG1 THR 66 HG1 THR 66 0.848 11.979 5.827 519 HG21 THR 66 3HG2 THR 66 2.930 11.569 5.027 520 HG22 THR 66 1HG2 THR 66 3.097 9.978 4.281 521 HG23 THR 66 2HG2 THR 66 2.401 10.125 5.895 522 H VAL 67 H VAL 67 3.464 11.727 1.932 523 HA VAL 67 HA VAL 67 3.445 9.456 0.125 524 HB VAL 67 HB VAL 67 5.588 11.529 0.640 525 HG11 VAL 67 1HG1 VAL 67 5.406 9.443 -1.533 526 HG12 VAL 67 2HG1 VAL 67 6.545 9.438 -0.186 527 HG13 VAL 67 3HG1 VAL 67 6.633 10.705 -1.410 528 HG21 VAL 67 3HG2 VAL 67 3.587 12.484 -0.343 529 HG22 VAL 67 1HG2 VAL 67 3.589 11.247 -1.603 530 HG23 VAL 67 2HG2 VAL 67 4.889 12.440 -1.532 531 H LEU 68 H LEU 68 4.346 7.547 0.507 532 HA LEU 68 HA LEU 68 5.445 7.070 3.146 533 HB2 LEU 68 1HB LEU 68 4.598 5.273 0.886 534 HB3 LEU 68 2HB LEU 68 5.362 4.660 2.342 535 HG LEU 68 HG LEU 68 2.858 6.318 2.465 536 HD11 LEU 68 1HD1 LEU 68 3.021 3.311 2.302 537 HD12 LEU 68 2HD1 LEU 68 2.421 4.368 1.024 538 HD13 LEU 68 3HD1 LEU 68 1.565 4.275 2.565 539 HD21 LEU 68 3HD2 LEU 68 4.134 6.069 4.518 540 HD22 LEU 68 1HD2 LEU 68 4.125 4.317 4.325 541 HD23 LEU 68 2HD2 LEU 68 2.614 5.179 4.617 542 H LEU 69 H LEU 69 7.459 6.294 3.607 543 HA LEU 69 HA LEU 69 9.413 6.378 1.407 544 HB2 LEU 69 1HB LEU 69 9.808 6.980 4.342 545 HB3 LEU 69 2HB LEU 69 11.088 6.959 3.142 546 HG LEU 69 HG LEU 69 8.738 8.859 3.147 547 HD11 LEU 69 1HD1 LEU 69 11.635 9.303 3.847 548 HD12 LEU 69 2HD1 LEU 69 10.274 9.327 4.969 549 HD13 LEU 69 3HD1 LEU 69 10.407 10.561 3.715 550 HD21 LEU 69 3HD2 LEU 69 9.978 10.014 1.372 551 HD22 LEU 69 1HD2 LEU 69 9.520 8.379 0.896 552 HD23 LEU 69 2HD2 LEU 69 11.179 8.724 1.380 553 HA PRO 70 HA PRO 70 9.964 2.100 2.316 554 HB2 PRO 70 1HB PRO 70 11.969 1.575 0.607 555 HB3 PRO 70 2HB PRO 70 10.342 1.964 0.039 556 HG2 PRO 70 1HG PRO 70 12.765 3.708 0.185 557 HG3 PRO 70 2HG PRO 70 11.537 3.599 -1.090 558 HD2 PRO 70 1HD PRO 70 11.595 5.547 0.862 559 HD3 PRO 70 2HD PRO 70 10.137 5.052 -0.018 560 H ASN 71 H ASN 71 10.887 3.238 4.486 561 HA ASN 71 HA ASN 71 13.332 1.787 5.009 562 HB2 ASN 71 1HB ASN 71 14.242 3.897 4.185 563 HB3 ASN 71 2HB ASN 71 13.252 4.795 5.329 564 HD21 ASN 71 2HD2 ASN 71 15.960 2.598 4.988 565 HD22 ASN 71 1HD2 ASN 71 16.675 2.956 6.525 566 H ASP 72 H ASP 72 11.089 4.220 6.331 567 HA ASP 72 HA ASP 72 11.246 2.801 8.903 568 HB2 ASP 72 1HB ASP 72 10.561 4.878 9.985 569 HB3 ASP 72 2HB ASP 72 12.005 5.136 9.013 570 H LEU 73 H LEU 73 9.096 3.342 10.230 571 HA LEU 73 HA LEU 73 7.003 2.159 8.551 572 HB2 LEU 73 1HB LEU 73 7.323 2.168 11.548 573 HB3 LEU 73 2HB LEU 73 6.030 1.375 10.670 574 HG LEU 73 HG LEU 73 8.960 0.657 10.489 575 HD11 LEU 73 1HD1 LEU 73 7.982 0.069 12.642 576 HD12 LEU 73 2HD1 LEU 73 8.295 -1.372 11.672 577 HD13 LEU 73 3HD1 LEU 73 6.651 -0.748 11.818 578 HD21 LEU 73 3HD2 LEU 73 7.776 0.220 8.407 579 HD22 LEU 73 1HD2 LEU 73 6.519 -0.647 9.289 580 HD23 LEU 73 2HD2 LEU 73 8.161 -1.288 9.233 581 H TYR 74 H TYR 74 5.190 3.206 8.124 582 HA TYR 74 HA TYR 74 4.588 5.668 9.619 583 HB2 TYR 74 1HB TYR 74 3.920 4.745 6.836 584 HB3 TYR 74 2HB TYR 74 2.971 6.007 7.614 585 HD1 TYR 74 HD2 TYR 74 6.442 5.129 6.585 586 HD2 TYR 74 HD1 TYR 74 3.693 8.217 7.589 587 HE1 TYR 74 HE2 TYR 74 8.079 6.814 5.859 588 HE2 TYR 74 HE1 TYR 74 5.320 9.910 6.863 589 HH TYR 74 HH TYR 74 8.225 9.066 5.174 590 HA PRO 75 HA PRO 75 1.102 3.509 11.388 591 HB2 PRO 75 1HB PRO 75 0.114 6.169 12.112 592 HB3 PRO 75 2HB PRO 75 0.613 4.840 13.162 593 HG2 PRO 75 1HG PRO 75 2.070 7.096 12.919 594 HG3 PRO 75 2HG PRO 75 2.818 5.512 13.183 595 HD2 PRO 75 1HD PRO 75 2.532 7.069 10.641 596 HD3 PRO 75 2HD PRO 75 3.927 6.150 11.248 597 H LEU 76 H LEU 76 -0.665 2.848 10.377 598 HA LEU 76 HA LEU 76 -1.775 4.257 8.154 599 HB2 LEU 76 1HB LEU 76 -2.670 1.820 9.687 600 HB3 LEU 76 2HB LEU 76 -3.580 2.468 8.337 601 HG LEU 76 HG LEU 76 -0.723 1.503 8.155 602 HD11 LEU 76 1HD1 LEU 76 -3.298 0.148 7.352 603 HD12 LEU 76 2HD1 LEU 76 -2.206 -0.357 8.641 604 HD13 LEU 76 3HD1 LEU 76 -1.677 -0.426 6.961 605 HD21 LEU 76 3HD2 LEU 76 -2.724 2.270 6.031 606 HD22 LEU 76 1HD2 LEU 76 -1.104 1.630 5.746 607 HD23 LEU 76 2HD2 LEU 76 -1.308 3.208 6.508 608 HA PRO 77 HA PRO 77 -4.621 6.933 10.226 609 HB2 PRO 77 1HB PRO 77 -6.570 7.086 8.307 610 HB3 PRO 77 2HB PRO 77 -5.040 7.967 8.224 611 HG2 PRO 77 1HG PRO 77 -5.822 5.396 6.899 612 HG3 PRO 77 2HG PRO 77 -4.931 6.778 6.228 613 HD2 PRO 77 1HD PRO 77 -3.667 4.546 7.037 614 HD3 PRO 77 2HD PRO 77 -2.945 6.153 7.250 615 H GLY 78 H GLY 78 -5.433 3.756 9.230 616 HA2 GLY 78 1HA GLY 78 -7.042 3.162 11.393 617 HA3 GLY 78 2HA GLY 78 -8.128 3.675 10.108 618 H GLU 79 H GLU 79 -9.065 1.692 9.812 619 HA GLU 79 HA GLU 79 -7.300 -0.393 8.713 620 HB2 GLU 79 1HB GLU 79 -9.180 -1.969 9.554 621 HB3 GLU 79 2HB GLU 79 -8.008 -1.344 10.706 622 HG2 GLU 79 1HG GLU 79 -9.712 0.496 11.164 623 HG3 GLU 79 2HG GLU 79 -10.858 -0.531 10.305 624 H THR 80 H THR 80 -9.776 1.748 8.127 625 HA THR 80 HA THR 80 -10.342 0.392 5.572 626 HB THR 80 HB THR 80 -12.085 2.332 7.114 627 HG1 THR 80 HG1 THR 80 -12.262 0.166 7.825 628 HG21 THR 80 3HG2 THR 80 -13.712 2.066 5.282 629 HG22 THR 80 1HG2 THR 80 -12.517 1.143 4.372 630 HG23 THR 80 2HG2 THR 80 -12.225 2.843 4.740 631 H PHE 81 H PHE 81 -8.941 1.304 4.145 632 HA PHE 81 HA PHE 81 -8.823 4.188 3.916 633 HB2 PHE 81 1HB PHE 81 -6.363 4.285 4.174 634 HB3 PHE 81 2HB PHE 81 -7.171 3.801 5.661 635 HD1 PHE 81 HD1 PHE 81 -7.027 1.494 6.459 636 HD2 PHE 81 HD2 PHE 81 -4.902 2.794 3.013 637 HE1 PHE 81 HE1 PHE 81 -5.609 -0.511 6.586 638 HE2 PHE 81 HE2 PHE 81 -3.479 0.793 3.132 639 HZ PHE 81 HZ PHE 81 -3.833 -0.863 4.919 640 H ARG 82 H ARG 82 -7.196 4.810 2.174 641 HA ARG 82 HA ARG 82 -7.110 2.757 0.065 642 HB2 ARG 82 1HB ARG 82 -7.457 5.732 -0.370 643 HB3 ARG 82 2HB ARG 82 -7.460 4.483 -1.604 644 HG2 ARG 82 1HG ARG 82 -9.676 4.548 -1.439 645 HG3 ARG 82 2HG ARG 82 -9.474 3.677 0.083 646 HD2 ARG 82 1HD ARG 82 -10.893 5.601 0.439 647 HD3 ARG 82 2HD ARG 82 -9.356 5.842 1.267 648 HE ARG 82 HE ARG 82 -9.231 6.981 -1.310 649 HH11 ARG 82 1HH1 ARG 82 -10.742 7.525 1.806 650 HH12 ARG 82 2HH1 ARG 82 -10.844 9.237 1.596 651 HH21 ARG 82 1HH2 ARG 82 -9.346 9.233 -1.583 652 HH22 ARG 82 2HH2 ARG 82 -10.041 10.223 -0.326 653 H LEU 83 H LEU 83 -5.243 2.632 -1.137 654 HA LEU 83 HA LEU 83 -3.044 4.435 -0.362 655 HB2 LEU 83 1HB LEU 83 -2.934 1.611 -1.432 656 HB3 LEU 83 2HB LEU 83 -1.532 2.621 -1.137 657 HG LEU 83 HG LEU 83 -3.461 1.666 0.979 658 HD11 LEU 83 1HD1 LEU 83 -0.659 0.780 0.303 659 HD12 LEU 83 2HD1 LEU 83 -2.136 -0.162 0.096 660 HD13 LEU 83 3HD1 LEU 83 -1.583 0.264 1.716 661 HD21 LEU 83 3HD2 LEU 83 -0.864 3.182 1.200 662 HD22 LEU 83 1HD2 LEU 83 -1.812 2.556 2.550 663 HD23 LEU 83 2HD2 LEU 83 -2.474 3.826 1.520 664 H TYR 84 H TYR 84 -2.483 5.841 -1.886 665 HA TYR 84 HA TYR 84 -3.497 5.403 -4.589 666 HB2 TYR 84 1HB TYR 84 -2.522 7.869 -3.152 667 HB3 TYR 84 2HB TYR 84 -2.845 7.849 -4.883 668 HD1 TYR 84 HD1 TYR 84 -5.115 7.582 -5.720 669 HD2 TYR 84 HD2 TYR 84 -4.332 7.821 -1.548 670 HE1 TYR 84 HE1 TYR 84 -7.498 8.004 -5.308 671 HE2 TYR 84 HE2 TYR 84 -6.716 8.243 -1.120 672 HH TYR 84 HH TYR 84 -9.117 7.714 -3.434 673 H TYR 85 H TYR 85 -2.133 4.247 -5.771 674 HA TYR 85 HA TYR 85 0.726 4.793 -5.591 675 HB2 TYR 85 1HB TYR 85 0.035 2.442 -5.591 676 HB3 TYR 85 2HB TYR 85 -0.761 2.670 -7.148 677 HD1 TYR 85 HD2 TYR 85 2.557 2.833 -5.479 678 HD2 TYR 85 HD1 TYR 85 0.446 2.402 -9.153 679 HE1 TYR 85 HE2 TYR 85 4.667 2.319 -6.626 680 HE2 TYR 85 HE1 TYR 85 2.557 1.893 -10.306 681 HH TYR 85 HH TYR 85 4.887 2.152 -10.077 682 H THR 86 H THR 86 1.457 6.383 -6.786 683 HA THR 86 HA THR 86 0.147 7.072 -9.295 684 HB THR 86 HB THR 86 2.480 8.451 -7.946 685 HG1 THR 86 HG1 THR 86 -0.325 8.984 -7.789 686 HG21 THR 86 3HG2 THR 86 1.783 10.376 -9.316 687 HG22 THR 86 1HG2 THR 86 0.548 9.374 -10.075 688 HG23 THR 86 2HG2 THR 86 2.254 8.996 -10.310 689 H SER 87 H SER 87 0.780 5.966 -11.023 690 HA SER 87 HA SER 87 3.247 4.586 -11.238 691 HB2 SER 87 1HB SER 87 1.196 3.928 -12.467 692 HB3 SER 87 2HB SER 87 1.313 5.403 -13.425 693 HG SER 87 HG SER 87 2.632 4.379 -14.672 694 H ALA 88 H ALA 88 5.136 5.600 -11.346 695 HA ALA 88 HA ALA 88 5.303 8.086 -12.921 696 HB1 ALA 88 3HB ALA 88 6.914 7.355 -10.477 697 HB2 ALA 88 1HB ALA 88 5.551 8.474 -10.508 698 HB3 ALA 88 2HB ALA 88 7.027 8.857 -11.395 699 H SER 89 H SER 89 5.911 5.039 -13.319 700 HA SER 89 HA SER 89 8.589 5.469 -14.454 701 HB2 SER 89 1HB SER 89 8.585 3.932 -12.477 702 HB3 SER 89 2HB SER 89 7.495 2.863 -13.354 703 HG SER 89 HG SER 89 9.730 2.265 -13.502 704 H THR 90 H THR 90 8.922 4.789 -16.529 705 HA THR 90 HA THR 90 6.599 4.021 -18.096 706 HB THR 90 HB THR 90 8.169 4.170 -20.029 707 HG1 THR 90 HG1 THR 90 10.200 5.420 -18.758 708 HG21 THR 90 3HG2 THR 90 8.224 6.561 -18.180 709 HG22 THR 90 1HG2 THR 90 6.938 6.165 -19.319 710 HG23 THR 90 2HG2 THR 90 8.541 6.595 -19.914 711 H ASP 91 H ASP 91 9.278 2.630 -16.558 712 HA ASP 91 HA ASP 91 9.322 0.188 -18.109 713 HB2 ASP 91 1HB ASP 91 11.439 1.035 -17.352 714 HB3 ASP 91 2HB ASP 91 10.859 1.187 -15.701 715 H GLN 92 H GLN 92 9.345 -1.897 -16.708 716 HA GLN 92 HA GLN 92 6.792 -2.271 -15.586 717 HB2 GLN 92 1HB GLN 92 8.754 -3.923 -16.475 718 HB3 GLN 92 2HB GLN 92 8.967 -4.100 -14.742 719 HG2 GLN 92 1HG GLN 92 6.426 -4.603 -16.272 720 HG3 GLN 92 2HG GLN 92 7.526 -5.830 -15.649 721 HE21 GLN 92 2HE2 GLN 92 7.647 -6.167 -13.409 722 HE22 GLN 92 1HE2 GLN 92 6.372 -5.652 -12.358 723 H GLN 93 H GLN 93 6.149 -2.511 -13.402 724 HA GLN 93 HA GLN 93 7.980 -1.212 -11.501 725 HB2 GLN 93 1HB GLN 93 5.004 -0.784 -11.827 726 HB3 GLN 93 2HB GLN 93 5.969 -0.114 -10.518 727 HG2 GLN 93 1HG GLN 93 7.251 1.204 -12.051 728 HG3 GLN 93 2HG GLN 93 6.488 0.423 -13.430 729 HE21 GLN 93 2HE2 GLN 93 4.417 0.997 -14.010 730 HE22 GLN 93 1HE2 GLN 93 3.653 2.438 -13.428 731 H THR 94 H THR 94 8.425 -2.361 -9.782 732 HA THR 94 HA THR 94 6.507 -4.407 -8.852 733 HB THR 94 HB THR 94 9.474 -4.614 -8.405 734 HG1 THR 94 HG1 THR 94 9.010 -4.427 -10.706 735 HG21 THR 94 3HG2 THR 94 8.961 -7.017 -8.271 736 HG22 THR 94 1HG2 THR 94 7.263 -6.667 -8.593 737 HG23 THR 94 2HG2 THR 94 8.015 -6.084 -7.109 738 H VAL 95 H VAL 95 5.743 -3.968 -6.852 739 HA VAL 95 HA VAL 95 7.448 -2.447 -4.984 740 HB VAL 95 HB VAL 95 4.483 -1.977 -5.382 741 HG11 VAL 95 1HG1 VAL 95 6.493 -0.578 -3.615 742 HG12 VAL 95 2HG1 VAL 95 5.177 -1.625 -3.078 743 HG13 VAL 95 3HG1 VAL 95 4.817 -0.081 -3.851 744 HG21 VAL 95 3HG2 VAL 95 5.110 0.204 -6.279 745 HG22 VAL 95 1HG2 VAL 95 5.788 -1.097 -7.255 746 HG23 VAL 95 2HG2 VAL 95 6.815 -0.212 -6.128 747 H ASP 96 H ASP 96 7.626 -3.398 -3.038 748 HA ASP 96 HA ASP 96 5.710 -5.512 -2.319 749 HB2 ASP 96 1HB ASP 96 8.491 -4.898 -1.304 750 HB3 ASP 96 2HB ASP 96 7.438 -6.100 -0.568 751 H VAL 97 H VAL 97 4.085 -4.847 -1.030 752 HA VAL 97 HA VAL 97 4.612 -2.610 0.810 753 HB VAL 97 HB VAL 97 1.943 -3.723 -0.074 754 HG11 VAL 97 1HG1 VAL 97 1.025 -1.668 0.893 755 HG12 VAL 97 2HG1 VAL 97 2.636 -1.215 1.454 756 HG13 VAL 97 3HG1 VAL 97 1.844 -2.650 2.108 757 HG21 VAL 97 3HG2 VAL 97 3.388 -1.237 -0.983 758 HG22 VAL 97 1HG2 VAL 97 1.764 -1.725 -1.463 759 HG23 VAL 97 2HG2 VAL 97 3.153 -2.706 -1.934 760 H TYR 98 H TYR 98 4.816 -3.011 2.912 761 HA TYR 98 HA TYR 98 3.870 -5.602 3.940 762 HB2 TYR 98 1HB TYR 98 6.024 -3.789 5.055 763 HB3 TYR 98 2HB TYR 98 5.567 -5.361 5.696 764 HD1 TYR 98 HD2 TYR 98 7.202 -3.622 2.891 765 HD2 TYR 98 HD1 TYR 98 6.386 -7.380 4.711 766 HE1 TYR 98 HE2 TYR 98 8.874 -4.683 1.437 767 HE2 TYR 98 HE1 TYR 98 8.057 -8.449 3.263 768 HH TYR 98 HH TYR 98 10.249 -6.630 1.329 769 H PHE 99 H PHE 99 2.269 -5.608 5.361 770 HA PHE 99 HA PHE 99 1.627 -3.129 6.828 771 HB2 PHE 99 1HB PHE 99 -0.122 -5.502 6.134 772 HB3 PHE 99 2HB PHE 99 -0.628 -4.167 7.161 773 HD1 PHE 99 HD1 PHE 99 -0.878 -1.905 6.194 774 HD2 PHE 99 HD2 PHE 99 -0.148 -5.335 3.784 775 HE1 PHE 99 HE1 PHE 99 -1.673 -0.681 4.217 776 HE2 PHE 99 HE2 PHE 99 -0.935 -4.113 1.801 777 HZ PHE 99 HZ PHE 99 -1.699 -1.785 2.016 778 H GLN 100 H GLN 100 2.269 -3.155 8.892 779 HA GLN 100 HA GLN 100 2.503 -5.777 10.215 780 HB2 GLN 100 1HB GLN 100 4.629 -4.488 9.835 781 HB3 GLN 100 2HB GLN 100 4.008 -3.263 10.935 782 HG2 GLN 100 1HG GLN 100 3.886 -4.951 12.715 783 HG3 GLN 100 2HG GLN 100 4.544 -6.151 11.605 784 HE21 GLN 100 2HE2 GLN 100 5.575 -2.813 11.724 785 HE22 GLN 100 1HE2 GLN 100 7.156 -3.127 12.343 786 H ASP 101 H ASP 101 1.367 -6.157 11.955 787 HA ASP 101 HA ASP 101 -0.088 -3.943 13.239 788 HB2 ASP 101 1HB ASP 101 -1.572 -5.600 12.257 789 HB3 ASP 101 2HB ASP 101 -0.720 -6.901 13.079 790 H SER 102 H SER 102 -0.076 -3.816 15.539 791 HA SER 102 HA SER 102 2.477 -4.574 16.577 792 HB2 SER 102 1HB SER 102 1.643 -3.361 18.653 793 HB3 SER 102 2HB SER 102 1.741 -2.414 17.170 794 HG SER 102 HG SER 102 -0.441 -3.094 18.687 795 H PHE 103 H PHE 103 -0.409 -6.284 16.492 796 HA PHE 103 HA PHE 103 -0.072 -7.656 19.011 797 HB2 PHE 103 1HB PHE 103 -2.286 -7.496 17.966 798 HB3 PHE 103 2HB PHE 103 -1.704 -8.369 16.558 799 HD1 PHE 103 HD1 PHE 103 -2.250 -8.720 20.218 800 HD2 PHE 103 HD2 PHE 103 -1.885 -10.680 16.459 801 HE1 PHE 103 HE1 PHE 103 -2.939 -10.839 21.258 802 HE2 PHE 103 HE2 PHE 103 -2.572 -12.801 17.496 803 HZ PHE 103 HZ PHE 103 -3.100 -12.883 19.898 804 H GLY 104 H GLY 104 1.521 -7.675 16.074 805 HA2 GLY 104 1HA GLY 104 3.590 -8.944 15.964 806 HA3 GLY 104 2HA GLY 104 2.740 -10.283 16.726 807 H GLN 105 H GLN 105 1.149 -8.460 14.260 808 HA GLN 105 HA GLN 105 1.356 -10.788 12.488 809 HB2 GLN 105 1HB GLN 105 -0.666 -8.539 12.476 810 HB3 GLN 105 2HB GLN 105 -0.676 -9.928 11.401 811 HG2 GLN 105 1HG GLN 105 -0.996 -10.009 14.391 812 HG3 GLN 105 2HG GLN 105 -2.284 -10.188 13.201 813 HE21 GLN 105 2HE2 GLN 105 -0.659 -11.773 11.392 814 HE22 GLN 105 1HE2 GLN 105 -0.516 -13.338 12.110 815 H LEU 106 H LEU 106 2.092 -10.599 10.425 816 HA LEU 106 HA LEU 106 2.658 -7.938 9.367 817 HB2 LEU 106 1HB LEU 106 4.736 -8.681 10.420 818 HB3 LEU 106 2HB LEU 106 4.677 -10.181 9.520 819 HG LEU 106 HG LEU 106 4.992 -8.939 7.423 820 HD11 LEU 106 1HD1 LEU 106 5.241 -6.527 9.218 821 HD12 LEU 106 2HD1 LEU 106 3.956 -6.833 8.048 822 HD13 LEU 106 3HD1 LEU 106 5.608 -6.569 7.492 823 HD21 LEU 106 3HD2 LEU 106 7.323 -8.274 7.807 824 HD22 LEU 106 1HD2 LEU 106 6.938 -9.814 8.578 825 HD23 LEU 106 2HD2 LEU 106 7.048 -8.345 9.547 826 H GLN 107 H GLN 107 1.631 -7.841 7.505 827 HA GLN 107 HA GLN 107 1.485 -10.272 5.847 828 HB2 GLN 107 1HB GLN 107 -0.719 -9.490 6.612 829 HB3 GLN 107 2HB GLN 107 -0.402 -7.903 5.928 830 HG2 GLN 107 1HG GLN 107 -1.871 -9.211 4.501 831 HG3 GLN 107 2HG GLN 107 -0.345 -8.853 3.694 832 HE21 GLN 107 2HE2 GLN 107 -2.353 -11.307 5.080 833 HE22 GLN 107 1HE2 GLN 107 -1.466 -12.660 4.468 834 H GLN 108 H GLN 108 2.275 -10.180 3.810 835 HA GLN 108 HA GLN 108 3.345 -7.582 2.940 836 HB2 GLN 108 1HB GLN 108 5.160 -8.888 1.814 837 HB3 GLN 108 2HB GLN 108 5.200 -8.949 3.569 838 HG2 GLN 108 1HG GLN 108 4.153 -11.153 3.519 839 HG3 GLN 108 2HG GLN 108 4.116 -11.090 1.757 840 HE21 GLN 108 2HE2 GLN 108 6.120 -11.421 4.582 841 HE22 GLN 108 1HE2 GLN 108 7.530 -11.987 3.751 842 H LEU 109 H LEU 109 2.601 -6.861 1.081 843 HA LEU 109 HA LEU 109 1.376 -8.788 -0.787 844 HB2 LEU 109 1HB LEU 109 0.642 -5.880 -0.422 845 HB3 LEU 109 2HB LEU 109 -0.138 -7.024 -1.497 846 HG LEU 109 HG LEU 109 -0.175 -7.141 1.524 847 HD11 LEU 109 1HD1 LEU 109 -2.517 -6.549 1.320 848 HD12 LEU 109 2HD1 LEU 109 -2.361 -6.457 -0.435 849 HD13 LEU 109 3HD1 LEU 109 -1.504 -5.305 0.587 850 HD21 LEU 109 3HD2 LEU 109 -1.804 -8.933 1.241 851 HD22 LEU 109 1HD2 LEU 109 -0.256 -9.367 0.513 852 HD23 LEU 109 2HD2 LEU 109 -1.598 -8.859 -0.511 853 H THR 110 H THR 110 2.726 -9.070 -2.436 854 HA THR 110 HA THR 110 4.431 -6.893 -3.336 855 HB THR 110 HB THR 110 4.258 -9.736 -4.362 856 HG1 THR 110 HG1 THR 110 6.274 -8.669 -2.655 857 HG21 THR 110 3HG2 THR 110 5.271 -8.178 -5.960 858 HG22 THR 110 1HG2 THR 110 6.478 -9.283 -5.301 859 HG23 THR 110 2HG2 THR 110 6.389 -7.623 -4.714 860 H PHE 111 H PHE 111 3.770 -5.548 -4.870 861 HA PHE 111 HA PHE 111 1.648 -6.431 -6.694 862 HB2 PHE 111 1HB PHE 111 2.637 -3.663 -5.976 863 HB3 PHE 111 2HB PHE 111 1.427 -3.983 -7.212 864 HD1 PHE 111 HD2 PHE 111 -0.802 -4.722 -6.611 865 HD2 PHE 111 HD1 PHE 111 2.114 -3.865 -3.634 866 HE1 PHE 111 HE2 PHE 111 -2.569 -4.671 -4.899 867 HE2 PHE 111 HE1 PHE 111 0.354 -3.812 -1.915 868 HZ PHE 111 HZ PHE 111 -1.992 -4.218 -2.549 869 H SER 112 H SER 112 2.277 -7.115 -8.589 870 HA SER 112 HA SER 112 4.560 -5.805 -9.902 871 HB2 SER 112 1HB SER 112 3.721 -8.685 -10.322 872 HB3 SER 112 2HB SER 112 5.196 -7.899 -10.887 873 HG SER 112 HG SER 112 4.494 -8.737 -8.292 874 H PHE 113 H PHE 113 3.895 -4.694 -11.625 875 HA PHE 113 HA PHE 113 1.231 -5.098 -12.648 876 HB2 PHE 113 1HB PHE 113 3.418 -3.183 -13.487 877 HB3 PHE 113 2HB PHE 113 1.787 -3.191 -14.157 878 HD1 PHE 113 HD1 PHE 113 -0.126 -2.537 -12.784 879 HD2 PHE 113 HD2 PHE 113 3.857 -2.311 -11.301 880 HE1 PHE 113 HE1 PHE 113 -0.896 -1.093 -10.946 881 HE2 PHE 113 HE2 PHE 113 3.095 -0.869 -9.464 882 HZ PHE 113 HZ PHE 113 0.715 -0.258 -9.283 883 H ASN 114 H ASN 114 1.104 -4.885 -15.203 884 HA ASN 114 HA ASN 114 1.611 -7.418 -16.174 885 HB2 ASN 114 1HB ASN 114 -0.030 -5.888 -17.166 886 HB3 ASN 114 2HB ASN 114 1.272 -4.875 -17.779 887 HD21 ASN 114 2HD2 ASN 114 1.344 -8.389 -17.754 888 HD22 ASN 114 1HD2 ASN 114 1.257 -8.579 -19.472 889 H ASN 115 H ASN 115 3.507 -8.340 -16.328 890 HA ASN 115 HA ASN 115 5.780 -6.827 -17.427 891 HB2 ASN 115 1HB ASN 115 6.178 -7.521 -15.124 892 HB3 ASN 115 2HB ASN 115 5.738 -9.180 -15.517 893 HD21 ASN 115 2HD2 ASN 115 7.697 -10.015 -14.867 894 HD22 ASN 115 1HD2 ASN 115 9.158 -9.776 -15.767 895 H ASP 116 H ASP 116 6.601 -7.497 -19.307 896 HA ASP 116 HA ASP 116 5.790 -10.157 -20.280 897 HB2 ASP 116 1HB ASP 116 5.825 -9.306 -22.531 898 HB3 ASP 116 2HB ASP 116 4.841 -8.224 -21.556 899 H SER 117 H SER 117 8.229 -8.818 -18.829 900 HA SER 117 HA SER 117 10.399 -9.377 -18.545 901 HB2 SER 117 1HB SER 117 9.908 -11.375 -20.761 902 HB3 SER 117 2HB SER 117 11.365 -11.301 -19.767 903 HG SER 117 HG SER 117 8.792 -11.525 -18.611 904 H SER 118 H SER 118 12.180 -8.320 -19.104 905 HA SER 118 HA SER 118 13.032 -7.806 -21.735 906 HB2 SER 118 1HB SER 118 10.971 -6.372 -21.711 907 HB3 SER 118 2HB SER 118 11.697 -5.433 -20.406 908 HG SER 118 HG SER 118 13.370 -4.843 -21.806 909 H LYS 119 H LYS 119 12.877 -6.322 -18.493 910 HA LYS 119 HA LYS 119 15.502 -5.197 -18.897 911 HB2 LYS 119 1HB LYS 119 15.170 -4.175 -16.656 912 HB3 LYS 119 2HB LYS 119 13.945 -3.751 -17.838 913 HG2 LYS 119 1HG LYS 119 12.357 -5.214 -16.809 914 HG3 LYS 119 2HG LYS 119 13.594 -5.866 -15.727 915 HD2 LYS 119 1HD LYS 119 13.828 -3.761 -14.620 916 HD3 LYS 119 2HD LYS 119 12.789 -2.967 -15.805 917 HE2 LYS 119 1HE LYS 119 10.915 -4.406 -15.041 918 HE3 LYS 119 2HE LYS 119 11.973 -5.053 -13.785 919 HZ1 LYS 119 3HZ LYS 119 10.466 -3.165 -13.116 920 HZ2 LYS 119 1HZ LYS 119 11.427 -2.156 -14.078 921 HZ3 LYS 119 2HZ LYS 119 12.100 -2.962 -12.740 922 H GLU 120 H GLU 120 17.106 -6.550 -18.780 923 HA GLU 120 HA GLU 120 17.677 -7.633 -16.115 924 HB2 GLU 120 1HB GLU 120 17.003 -9.375 -18.040 925 HB3 GLU 120 2HB GLU 120 18.682 -9.136 -18.498 926 HG2 GLU 120 1HG GLU 120 17.735 -10.052 -15.789 927 HG3 GLU 120 2HG GLU 120 18.353 -11.098 -17.062 928 H GLU 121 H GLU 121 18.358 -5.217 -16.853 929 HA GLU 121 HA GLU 121 21.083 -5.338 -17.940 930 HB2 GLU 121 1HB GLU 121 20.585 -3.040 -18.851 931 HB3 GLU 121 2HB GLU 121 19.706 -4.363 -19.608 932 HG2 GLU 121 1HG GLU 121 17.807 -3.805 -18.010 933 HG3 GLU 121 2HG GLU 121 18.681 -2.310 -17.676 934 H GLU 122 H GLU 122 22.047 -2.954 -17.508 935 HA GLU 122 HA GLU 122 22.356 -2.917 -14.641 936 HB2 GLU 122 1HB GLU 122 24.328 -2.785 -16.046 937 HB3 GLU 122 2HB GLU 122 23.699 -1.354 -16.850 938 HG2 GLU 122 1HG GLU 122 23.921 -0.064 -14.839 939 HG3 GLU 122 2HG GLU 122 24.389 -1.498 -13.925 940 H LEU 123 H LEU 123 21.617 -1.425 -13.262 941 HA LEU 123 HA LEU 123 19.871 0.674 -14.288 942 HB2 LEU 123 1HB LEU 123 20.329 -0.466 -11.536 943 HB3 LEU 123 2HB LEU 123 19.403 1.001 -11.788 944 HG LEU 123 HG LEU 123 17.896 -0.370 -13.314 945 HD11 LEU 123 1HD1 LEU 123 19.376 -2.265 -13.680 946 HD12 LEU 123 2HD1 LEU 123 17.861 -2.782 -12.939 947 HD13 LEU 123 3HD1 LEU 123 19.322 -2.654 -11.961 948 HD21 LEU 123 3HD2 LEU 123 16.630 -1.291 -11.434 949 HD22 LEU 123 1HD2 LEU 123 17.227 0.331 -11.089 950 HD23 LEU 123 2HD2 LEU 123 18.033 -1.071 -10.387 951 H GLU 124 H GLU 124 20.095 2.528 -12.193 952 HA GLU 124 HA GLU 124 22.430 3.923 -13.118 953 HB2 GLU 124 1HB GLU 124 19.958 4.667 -11.995 954 HB3 GLU 124 2HB GLU 124 21.194 5.221 -10.869 955 HG2 GLU 124 1HG GLU 124 20.838 5.945 -13.757 956 HG3 GLU 124 2HG GLU 124 20.858 7.007 -12.349 957 H HIS 125 H HIS 125 23.786 5.129 -11.481 958 HA HIS 125 HA HIS 125 25.258 3.180 -10.008 959 HB2 HIS 125 1HB HIS 125 25.517 6.197 -9.907 960 HB3 HIS 125 2HB HIS 125 26.731 5.024 -9.416 961 HD1 HIS 125 HD1 HIS 125 25.128 6.516 -12.479 962 HD2 HIS 125 HD2 HIS 125 28.303 4.016 -11.465 963 HE1 HIS 125 HE1 HIS 125 26.520 6.295 -14.566 964 HE2 HIS 125 HE2 HIS 125 28.514 4.908 -13.887 965 H HIS 126 H HIS 126 23.703 6.187 -8.985 966 HA HIS 126 HA HIS 126 22.895 4.939 -6.468 967 HB2 HIS 126 1HB HIS 126 25.120 6.119 -6.183 968 HB3 HIS 126 2HB HIS 126 24.302 7.620 -6.593 969 HD1 HIS 126 HD1 HIS 126 25.092 5.427 -3.794 970 HD2 HIS 126 HD2 HIS 126 22.259 8.361 -4.635 971 HE1 HIS 126 HE1 HIS 126 24.162 6.141 -1.565 972 HE2 HIS 126 HE2 HIS 126 22.391 7.853 -2.104 973 H HIS 127 H HIS 127 20.778 5.012 -7.311 974 HA HIS 127 HA HIS 127 19.818 7.541 -8.357 975 HB2 HIS 127 1HB HIS 127 17.758 6.353 -8.968 976 HB3 HIS 127 2HB HIS 127 19.182 5.530 -9.580 977 HD1 HIS 127 HD1 HIS 127 16.072 4.915 -7.902 978 HD2 HIS 127 HD2 HIS 127 19.847 3.162 -7.865 979 HE1 HIS 127 HE1 HIS 127 15.739 2.599 -6.972 980 HE2 HIS 127 HE2 HIS 127 18.007 1.508 -7.093 981 H HIS 128 H HIS 128 20.218 8.531 -6.257 982 HA HIS 128 HA HIS 128 17.819 9.191 -4.981 983 HB2 HIS 128 1HB HIS 128 18.029 6.952 -3.945 984 HB3 HIS 128 2HB HIS 128 19.615 7.398 -3.325 985 HD1 HIS 128 HD1 HIS 128 19.705 8.753 -1.182 986 HD2 HIS 128 HD2 HIS 128 15.843 8.259 -2.661 987 HE1 HIS 128 HE1 HIS 128 18.168 9.563 0.636 988 HE2 HIS 128 HE2 HIS 128 15.836 9.169 -0.236 989 H HIS 129 H HIS 129 18.509 11.265 -5.191 990 HA HIS 129 HA HIS 129 19.498 13.213 -4.627 991 HB2 HIS 129 1HB HIS 129 19.069 12.730 -2.336 992 HB3 HIS 129 2HB HIS 129 20.408 11.593 -2.252 993 HD1 HIS 129 HD1 HIS 129 20.197 15.281 -3.259 994 HD2 HIS 129 HD2 HIS 129 22.381 12.716 -0.814 995 HE1 HIS 129 HE1 HIS 129 21.954 16.712 -2.167 996 HE2 HIS 129 HE2 HIS 129 23.393 15.097 -0.877 997 H HIS 130 H HIS 130 20.824 13.558 -6.286 998 HA HIS 130 HA HIS 130 23.622 12.699 -5.969 999 HB2 HIS 130 1HB HIS 130 22.713 11.916 -8.072 1000 HB3 HIS 130 2HB HIS 130 22.086 13.517 -8.449 1001 HD1 HIS 130 HD1 HIS 130 25.402 11.700 -8.096 1002 HD2 HIS 130 HD2 HIS 130 23.815 15.155 -9.781 1003 HE1 HIS 130 HE1 HIS 130 27.250 12.691 -9.480 1004 HE2 HIS 130 HE2 HIS 130 26.348 14.921 -10.235 Start of MODEL 9 1 H1 MET 1 1H MET 1 11.767 -21.348 2.393 2 H2 MET 1 2H MET 1 12.952 -22.535 2.145 3 H3 MET 1 3H MET 1 13.018 -21.076 1.281 4 HA MET 1 HA MET 1 13.289 -21.334 4.214 5 HB2 MET 1 1HB MET 1 15.358 -20.915 2.055 6 HB3 MET 1 2HB MET 1 15.662 -20.599 3.757 7 HG2 MET 1 1HG MET 1 15.152 -22.957 4.249 8 HG3 MET 1 2HG MET 1 14.951 -23.246 2.521 9 HE1 MET 1 3HE MET 1 16.915 -24.877 4.429 10 HE2 MET 1 1HE MET 1 18.368 -24.995 3.434 11 HE3 MET 1 2HE MET 1 16.778 -25.228 2.706 12 H ASN 2 H ASN 2 12.134 -19.632 4.873 13 HA ASN 2 HA ASN 2 13.055 -16.992 3.949 14 HB2 ASN 2 1HB ASN 2 10.187 -17.700 4.640 15 HB3 ASN 2 2HB ASN 2 10.775 -16.102 4.206 16 HD21 ASN 2 2HD2 ASN 2 11.334 -15.676 2.055 17 HD22 ASN 2 1HD2 ASN 2 10.786 -16.693 0.756 18 H ASP 3 H ASP 3 10.727 -18.114 6.353 19 HA ASP 3 HA ASP 3 12.499 -17.230 8.517 20 HB2 ASP 3 1HB ASP 3 9.579 -16.491 8.168 21 HB3 ASP 3 2HB ASP 3 10.472 -16.271 9.668 22 H ASP 4 H ASP 4 10.148 -17.745 10.356 23 HA ASP 4 HA ASP 4 10.530 -20.548 10.733 24 HB2 ASP 4 1HB ASP 4 8.733 -18.497 11.996 25 HB3 ASP 4 2HB ASP 4 8.508 -20.207 12.344 26 H VAL 5 H VAL 5 8.379 -21.893 11.112 27 HA VAL 5 HA VAL 5 7.010 -21.854 8.529 28 HB VAL 5 HB VAL 5 8.113 -23.949 9.407 29 HG11 VAL 5 1HG1 VAL 5 6.893 -25.279 11.068 30 HG12 VAL 5 2HG1 VAL 5 5.798 -23.921 11.331 31 HG13 VAL 5 3HG1 VAL 5 7.506 -23.765 11.738 32 HG21 VAL 5 3HG2 VAL 5 6.461 -24.032 7.624 33 HG22 VAL 5 1HG2 VAL 5 5.163 -24.120 8.813 34 HG23 VAL 5 2HG2 VAL 5 6.324 -25.442 8.674 35 H ASP 6 H ASP 6 6.584 -20.398 11.317 36 HA ASP 6 HA ASP 6 3.911 -21.064 12.034 37 HB2 ASP 6 1HB ASP 6 5.718 -18.768 12.780 38 HB3 ASP 6 2HB ASP 6 4.074 -18.920 13.393 39 H ILE 7 H ILE 7 2.891 -20.913 9.993 40 HA ILE 7 HA ILE 7 1.679 -18.295 9.646 41 HB ILE 7 HB ILE 7 3.606 -18.390 8.032 42 HG12 ILE 7 1HG1 ILE 7 0.860 -18.340 6.759 43 HG13 ILE 7 2HG1 ILE 7 1.620 -16.993 7.598 44 HG21 ILE 7 1HG2 ILE 7 2.014 -20.626 6.788 45 HG22 ILE 7 2HG2 ILE 7 3.591 -20.768 7.564 46 HG23 ILE 7 3HG2 ILE 7 3.424 -19.847 6.070 47 HD11 ILE 7 3HD1 ILE 7 3.380 -16.932 5.910 48 HD12 ILE 7 1HD1 ILE 7 1.781 -16.742 5.189 49 HD13 ILE 7 2HD1 ILE 7 2.623 -18.286 5.074 50 H GLN 8 H GLN 8 1.170 -21.176 10.513 51 HA GLN 8 HA GLN 8 -0.907 -21.930 8.576 52 HB2 GLN 8 1HB GLN 8 0.900 -23.579 8.976 53 HB3 GLN 8 2HB GLN 8 0.444 -23.639 10.672 54 HG2 GLN 8 1HG GLN 8 -0.429 -25.545 9.430 55 HG3 GLN 8 2HG GLN 8 -1.724 -24.549 10.091 56 HE21 GLN 8 2HE2 GLN 8 -3.225 -25.297 8.613 57 HE22 GLN 8 1HE2 GLN 8 -3.194 -24.836 6.940 58 H GLN 9 H GLN 9 -0.469 -20.610 11.644 59 HA GLN 9 HA GLN 9 -2.940 -21.641 12.746 60 HB2 GLN 9 1HB GLN 9 -2.458 -20.003 14.624 61 HB3 GLN 9 2HB GLN 9 -1.299 -21.301 14.402 62 HG2 GLN 9 1HG GLN 9 -0.807 -18.649 13.129 63 HG3 GLN 9 2HG GLN 9 -0.491 -18.873 14.849 64 HE21 GLN 9 2HE2 GLN 9 1.166 -20.278 15.494 65 HE22 GLN 9 1HE2 GLN 9 2.393 -20.801 14.392 66 H SER 10 H SER 10 -4.360 -19.820 13.824 67 HA SER 10 HA SER 10 -5.692 -18.592 11.665 68 HB2 SER 10 1HB SER 10 -6.770 -19.373 13.782 69 HB3 SER 10 2HB SER 10 -6.022 -18.015 14.617 70 HG SER 10 HG SER 10 -8.165 -18.068 12.841 71 H TYR 11 H TYR 11 -5.687 -16.552 10.889 72 HA TYR 11 HA TYR 11 -3.532 -14.790 11.585 73 HB2 TYR 11 1HB TYR 11 -5.909 -14.414 9.748 74 HB3 TYR 11 2HB TYR 11 -4.605 -13.249 9.925 75 HD1 TYR 11 HD1 TYR 11 -2.412 -13.685 8.980 76 HD2 TYR 11 HD2 TYR 11 -5.580 -16.488 8.534 77 HE1 TYR 11 HE1 TYR 11 -1.159 -14.807 7.183 78 HE2 TYR 11 HE2 TYR 11 -4.334 -17.621 6.742 79 HH TYR 11 HH TYR 11 -2.597 -17.155 5.131 80 HA PRO 12 HA PRO 12 -5.661 -12.464 14.741 81 HB2 PRO 12 1HB PRO 12 -4.026 -10.183 13.846 82 HB3 PRO 12 2HB PRO 12 -4.110 -10.943 15.438 83 HG2 PRO 12 1HG PRO 12 -1.981 -11.262 13.846 84 HG3 PRO 12 2HG PRO 12 -2.566 -12.567 14.892 85 HD2 PRO 12 1HD PRO 12 -2.920 -12.197 11.950 86 HD3 PRO 12 2HD PRO 12 -2.620 -13.685 12.871 87 H PHE 13 H PHE 13 -4.923 -10.766 11.774 88 HA PHE 13 HA PHE 13 -7.718 -9.986 11.486 89 HB2 PHE 13 1HB PHE 13 -5.412 -8.020 11.311 90 HB3 PHE 13 2HB PHE 13 -7.092 -7.663 10.926 91 HD1 PHE 13 HD1 PHE 13 -8.803 -7.731 12.753 92 HD2 PHE 13 HD2 PHE 13 -4.626 -7.931 13.522 93 HE1 PHE 13 HE1 PHE 13 -9.209 -7.116 15.100 94 HE2 PHE 13 HE2 PHE 13 -5.024 -7.318 15.873 95 HZ PHE 13 HZ PHE 13 -7.321 -6.911 16.663 96 H SER 14 H SER 14 -8.272 -9.452 9.294 97 HA SER 14 HA SER 14 -6.313 -10.464 7.335 98 HB2 SER 14 1HB SER 14 -8.269 -11.956 7.657 99 HB3 SER 14 2HB SER 14 -9.339 -10.628 7.216 100 HG SER 14 HG SER 14 -8.538 -12.300 5.563 101 H ILE 15 H ILE 15 -5.898 -9.213 5.549 102 HA ILE 15 HA ILE 15 -7.295 -6.620 5.473 103 HB ILE 15 HB ILE 15 -4.482 -7.258 4.565 104 HG12 ILE 15 1HG1 ILE 15 -5.483 -5.658 6.930 105 HG13 ILE 15 2HG1 ILE 15 -4.754 -7.258 7.016 106 HG21 ILE 15 1HG2 ILE 15 -5.944 -4.620 4.670 107 HG22 ILE 15 2HG2 ILE 15 -5.530 -5.514 3.208 108 HG23 ILE 15 3HG2 ILE 15 -4.252 -4.848 4.226 109 HD11 ILE 15 3HD1 ILE 15 -2.666 -6.325 6.125 110 HD12 ILE 15 1HD1 ILE 15 -3.156 -5.570 7.641 111 HD13 ILE 15 2HD1 ILE 15 -3.406 -4.723 6.114 112 H GLU 16 H GLU 16 -8.444 -6.177 3.743 113 HA GLU 16 HA GLU 16 -8.107 -7.849 1.351 114 HB2 GLU 16 1HB GLU 16 -10.342 -7.908 2.328 115 HB3 GLU 16 2HB GLU 16 -10.436 -6.154 2.274 116 HG2 GLU 16 1HG GLU 16 -10.382 -6.223 -0.168 117 HG3 GLU 16 2HG GLU 16 -10.282 -7.983 -0.111 118 H THR 17 H THR 17 -7.551 -6.946 -0.568 119 HA THR 17 HA THR 17 -7.366 -4.011 -0.679 120 HB THR 17 HB THR 17 -5.371 -4.398 -2.223 121 HG1 THR 17 HG1 THR 17 -4.303 -6.388 -1.968 122 HG21 THR 17 3HG2 THR 17 -3.801 -4.640 -0.335 123 HG22 THR 17 1HG2 THR 17 -5.148 -5.122 0.698 124 HG23 THR 17 2HG2 THR 17 -5.101 -3.498 0.011 125 H MET 18 H MET 18 -8.116 -3.042 -2.493 126 HA MET 18 HA MET 18 -9.607 -4.622 -4.370 127 HB2 MET 18 1HB MET 18 -9.074 -1.675 -4.094 128 HB3 MET 18 2HB MET 18 -9.907 -2.324 -5.498 129 HG2 MET 18 1HG MET 18 -11.518 -1.526 -3.911 130 HG3 MET 18 2HG MET 18 -11.621 -3.280 -4.019 131 HE1 MET 18 3HE MET 18 -13.033 -3.383 -1.745 132 HE2 MET 18 1HE MET 18 -12.975 -1.620 -1.710 133 HE3 MET 18 2HE MET 18 -12.541 -2.546 -0.272 134 HA PRO 19 HA PRO 19 -6.372 -5.477 -7.235 135 HB2 PRO 19 1HB PRO 19 -8.540 -5.503 -9.255 136 HB3 PRO 19 2HB PRO 19 -7.395 -6.775 -8.811 137 HG2 PRO 19 1HG PRO 19 -9.955 -6.928 -8.076 138 HG3 PRO 19 2HG PRO 19 -8.661 -7.458 -6.985 139 HD2 PRO 19 1HD PRO 19 -10.237 -4.910 -6.960 140 HD3 PRO 19 2HD PRO 19 -9.739 -5.937 -5.598 141 H VAL 20 H VAL 20 -5.381 -4.682 -9.158 142 HA VAL 20 HA VAL 20 -6.028 -1.856 -9.692 143 HB VAL 20 HB VAL 20 -3.594 -1.557 -10.160 144 HG11 VAL 20 1HG1 VAL 20 -4.240 -2.563 -7.391 145 HG12 VAL 20 2HG1 VAL 20 -4.561 -0.940 -7.999 146 HG13 VAL 20 3HG1 VAL 20 -2.899 -1.503 -7.825 147 HG21 VAL 20 3HG2 VAL 20 -2.976 -3.826 -10.678 148 HG22 VAL 20 1HG2 VAL 20 -3.419 -4.356 -9.054 149 HG23 VAL 20 2HG2 VAL 20 -2.041 -3.280 -9.284 150 HA PRO 21 HA PRO 21 -6.127 -2.705 -14.061 151 HB2 PRO 21 1HB PRO 21 -4.299 -0.475 -14.625 152 HB3 PRO 21 2HB PRO 21 -5.996 -0.672 -15.072 153 HG2 PRO 21 1HG PRO 21 -5.217 1.101 -13.210 154 HG3 PRO 21 2HG PRO 21 -6.760 0.237 -13.099 155 HD2 PRO 21 1HD PRO 21 -4.185 -0.291 -11.660 156 HD3 PRO 21 2HD PRO 21 -5.853 -0.337 -11.044 157 H LYS 22 H LYS 22 -4.985 -3.758 -15.660 158 HA LYS 22 HA LYS 22 -2.399 -4.776 -14.895 159 HB2 LYS 22 1HB LYS 22 -4.181 -5.313 -17.265 160 HB3 LYS 22 2HB LYS 22 -2.599 -6.054 -17.076 161 HG2 LYS 22 1HG LYS 22 -3.379 -6.978 -14.892 162 HG3 LYS 22 2HG LYS 22 -4.989 -6.373 -15.283 163 HD2 LYS 22 1HD LYS 22 -5.103 -7.770 -17.234 164 HD3 LYS 22 2HD LYS 22 -3.424 -8.273 -17.024 165 HE2 LYS 22 1HE LYS 22 -4.045 -9.307 -14.866 166 HE3 LYS 22 2HE LYS 22 -5.726 -8.869 -15.170 167 HZ1 LYS 22 3HZ LYS 22 -5.277 -11.159 -15.789 168 HZ2 LYS 22 1HZ LYS 22 -4.076 -10.658 -16.874 169 HZ3 LYS 22 2HZ LYS 22 -5.698 -10.247 -17.149 170 H LYS 23 H LYS 23 -3.239 -1.968 -16.298 171 HA LYS 23 HA LYS 23 -0.551 -1.685 -17.372 172 HB2 LYS 23 1HB LYS 23 -1.438 -0.315 -19.288 173 HB3 LYS 23 2HB LYS 23 -1.746 -2.038 -19.395 174 HG2 LYS 23 1HG LYS 23 -4.040 -1.678 -18.645 175 HG3 LYS 23 2HG LYS 23 -3.736 0.058 -18.542 176 HD2 LYS 23 1HD LYS 23 -3.315 0.160 -20.926 177 HD3 LYS 23 2HD LYS 23 -3.460 -1.592 -21.055 178 HE2 LYS 23 1HE LYS 23 -5.664 0.310 -20.252 179 HE3 LYS 23 2HE LYS 23 -5.490 -0.460 -21.829 180 HZ1 LYS 23 3HZ LYS 23 -7.039 -1.746 -20.648 181 HZ2 LYS 23 1HZ LYS 23 -6.108 -1.743 -19.230 182 HZ3 LYS 23 2HZ LYS 23 -5.595 -2.633 -20.579 183 H LEU 24 H LEU 24 0.396 -0.039 -16.478 184 HA LEU 24 HA LEU 24 -1.142 2.345 -15.753 185 HB2 LEU 24 1HB LEU 24 0.742 0.803 -13.972 186 HB3 LEU 24 2HB LEU 24 0.306 2.472 -13.665 187 HG LEU 24 HG LEU 24 -1.662 0.184 -13.771 188 HD11 LEU 24 1HD1 LEU 24 -1.773 0.497 -11.331 189 HD12 LEU 24 2HD1 LEU 24 -0.430 1.638 -11.438 190 HD13 LEU 24 3HD1 LEU 24 -0.188 -0.057 -11.871 191 HD21 LEU 24 3HD2 LEU 24 -3.215 1.804 -12.814 192 HD22 LEU 24 1HD2 LEU 24 -2.617 2.357 -14.380 193 HD23 LEU 24 2HD2 LEU 24 -1.971 3.053 -12.893 194 H LYS 25 H LYS 25 -0.257 3.971 -16.822 195 HA LYS 25 HA LYS 25 2.622 3.832 -17.434 196 HB2 LYS 25 1HB LYS 25 0.502 5.438 -18.872 197 HB3 LYS 25 2HB LYS 25 2.177 5.213 -19.368 198 HG2 LYS 25 1HG LYS 25 1.715 2.777 -19.588 199 HG3 LYS 25 2HG LYS 25 0.015 3.124 -19.266 200 HD2 LYS 25 1HD LYS 25 0.040 4.673 -21.222 201 HD3 LYS 25 2HD LYS 25 1.672 4.106 -21.584 202 HE2 LYS 25 1HE LYS 25 -0.847 2.450 -21.505 203 HE3 LYS 25 2HE LYS 25 0.073 2.899 -22.939 204 HZ1 LYS 25 3HZ LYS 25 0.550 0.636 -22.271 205 HZ2 LYS 25 1HZ LYS 25 1.035 1.155 -20.733 206 HZ3 LYS 25 2HZ LYS 25 1.936 1.595 -22.094 207 H VAL 26 H VAL 26 3.340 6.288 -17.985 208 HA VAL 26 HA VAL 26 3.618 7.427 -15.421 209 HB VAL 26 HB VAL 26 4.229 8.772 -18.054 210 HG11 VAL 26 1HG1 VAL 26 5.911 9.990 -16.770 211 HG12 VAL 26 2HG1 VAL 26 5.408 9.154 -15.302 212 HG13 VAL 26 3HG1 VAL 26 4.298 10.257 -16.114 213 HG21 VAL 26 3HG2 VAL 26 6.489 7.833 -17.818 214 HG22 VAL 26 1HG2 VAL 26 5.263 6.580 -18.018 215 HG23 VAL 26 2HG2 VAL 26 5.942 6.903 -16.422 216 H GLY 27 H GLY 27 2.280 8.674 -14.343 217 HA2 GLY 27 1HA GLY 27 1.122 10.755 -14.133 218 HA3 GLY 27 2HA GLY 27 0.669 10.638 -15.826 219 H GLU 28 H GLU 28 0.220 7.615 -14.721 220 HA GLU 28 HA GLU 28 -2.627 8.112 -14.309 221 HB2 GLU 28 1HB GLU 28 -1.214 5.467 -14.677 222 HB3 GLU 28 2HB GLU 28 -2.949 5.752 -14.742 223 HG2 GLU 28 1HG GLU 28 -2.363 7.378 -16.670 224 HG3 GLU 28 2HG GLU 28 -0.839 6.494 -16.723 225 H THR 29 H THR 29 -3.774 7.338 -12.537 226 HA THR 29 HA THR 29 -2.084 6.851 -10.169 227 HB THR 29 HB THR 29 -4.794 8.166 -10.078 228 HG1 THR 29 HG1 THR 29 -3.461 9.444 -11.438 229 HG21 THR 29 3HG2 THR 29 -3.926 9.088 -7.978 230 HG22 THR 29 1HG2 THR 29 -2.396 8.247 -8.242 231 HG23 THR 29 2HG2 THR 29 -3.875 7.326 -7.974 232 H ALA 30 H ALA 30 -2.327 4.837 -9.437 233 HA ALA 30 HA ALA 30 -4.847 3.419 -9.888 234 HB1 ALA 30 3HB ALA 30 -2.214 2.421 -8.792 235 HB2 ALA 30 1HB ALA 30 -2.775 2.249 -10.457 236 HB3 ALA 30 2HB ALA 30 -3.626 1.428 -9.149 237 H GLU 31 H GLU 31 -6.366 3.552 -8.371 238 HA GLU 31 HA GLU 31 -5.634 4.294 -5.657 239 HB2 GLU 31 1HB GLU 31 -7.601 5.338 -6.748 240 HB3 GLU 31 2HB GLU 31 -8.368 3.758 -6.834 241 HG2 GLU 31 1HG GLU 31 -8.309 3.630 -4.371 242 HG3 GLU 31 2HG GLU 31 -7.623 5.253 -4.331 243 H ILE 32 H ILE 32 -4.736 2.639 -4.612 244 HA ILE 32 HA ILE 32 -5.987 -0.004 -4.714 245 HB ILE 32 HB ILE 32 -3.484 0.804 -3.219 246 HG12 ILE 32 1HG1 ILE 32 -3.693 -0.435 -5.974 247 HG13 ILE 32 2HG1 ILE 32 -3.260 1.240 -5.655 248 HG21 ILE 32 1HG2 ILE 32 -2.994 -1.608 -3.286 249 HG22 ILE 32 2HG2 ILE 32 -4.544 -1.889 -4.079 250 HG23 ILE 32 3HG2 ILE 32 -4.499 -1.258 -2.434 251 HD11 ILE 32 3HD1 ILE 32 -1.305 -0.123 -6.129 252 HD12 ILE 32 1HD1 ILE 32 -1.700 -1.177 -4.773 253 HD13 ILE 32 2HD1 ILE 32 -1.259 0.506 -4.482 254 H ARG 33 H ARG 33 -7.791 0.089 -3.441 255 HA ARG 33 HA ARG 33 -7.681 1.399 -0.871 256 HB2 ARG 33 1HB ARG 33 -9.872 -0.255 -2.144 257 HB3 ARG 33 2HB ARG 33 -10.022 0.609 -0.620 258 HG2 ARG 33 1HG ARG 33 -9.532 2.719 -1.843 259 HG3 ARG 33 2HG ARG 33 -9.587 1.798 -3.346 260 HD2 ARG 33 1HD ARG 33 -11.899 1.129 -2.820 261 HD3 ARG 33 2HD ARG 33 -11.836 2.118 -1.361 262 HE ARG 33 HE ARG 33 -11.310 3.413 -3.936 263 HH11 ARG 33 1HH1 ARG 33 -13.472 2.930 -1.210 264 HH12 ARG 33 2HH1 ARG 33 -14.488 4.283 -1.630 265 HH21 ARG 33 1HH2 ARG 33 -12.606 5.174 -4.460 266 HH22 ARG 33 2HH2 ARG 33 -13.979 5.575 -3.473 267 H CYS 34 H CYS 34 -7.086 0.505 0.952 268 HA CYS 34 HA CYS 34 -6.921 -2.432 1.087 269 HB2 CYS 34 1HB CYS 34 -5.141 -0.444 2.518 270 HB3 CYS 34 2HB CYS 34 -4.966 -2.195 2.499 271 HG CYS 34 HG CYS 34 -4.720 -0.337 -0.356 272 H GLN 35 H GLN 35 -8.077 -3.343 2.663 273 HA GLN 35 HA GLN 35 -8.999 -1.617 4.858 274 HB2 GLN 35 1HB GLN 35 -10.721 -1.877 3.054 275 HB3 GLN 35 2HB GLN 35 -10.735 -3.603 3.389 276 HG2 GLN 35 1HG GLN 35 -11.524 -3.202 5.630 277 HG3 GLN 35 2HG GLN 35 -11.401 -1.458 5.390 278 HE21 GLN 35 2HE2 GLN 35 -12.833 -0.437 3.988 279 HE22 GLN 35 1HE2 GLN 35 -14.348 -1.157 3.550 280 H LEU 36 H LEU 36 -8.207 -2.429 6.654 281 HA LEU 36 HA LEU 36 -7.749 -5.272 6.948 282 HB2 LEU 36 1HB LEU 36 -6.173 -3.580 7.864 283 HB3 LEU 36 2HB LEU 36 -7.431 -3.026 8.950 284 HG LEU 36 HG LEU 36 -6.612 -5.898 9.066 285 HD11 LEU 36 1HD1 LEU 36 -4.837 -5.346 10.646 286 HD12 LEU 36 2HD1 LEU 36 -5.085 -3.629 10.329 287 HD13 LEU 36 3HD1 LEU 36 -4.496 -4.686 9.045 288 HD21 LEU 36 3HD2 LEU 36 -7.140 -5.604 11.428 289 HD22 LEU 36 1HD2 LEU 36 -8.492 -5.100 10.414 290 HD23 LEU 36 2HD2 LEU 36 -7.445 -3.889 11.154 291 H HIS 37 H HIS 37 -9.303 -6.596 7.513 292 HA HIS 37 HA HIS 37 -11.757 -5.566 8.671 293 HB2 HIS 37 1HB HIS 37 -10.965 -8.337 7.754 294 HB3 HIS 37 2HB HIS 37 -12.533 -7.949 8.446 295 HD1 HIS 37 HD1 HIS 37 -11.222 -8.597 5.300 296 HD2 HIS 37 HD2 HIS 37 -13.542 -5.478 6.796 297 HE1 HIS 37 HE1 HIS 37 -12.360 -7.574 3.305 298 HE2 HIS 37 HE2 HIS 37 -13.660 -5.617 4.215 299 H ARG 38 H ARG 38 -11.784 -5.218 10.757 300 HA ARG 38 HA ARG 38 -10.153 -6.775 12.570 301 HB2 ARG 38 1HB ARG 38 -12.128 -4.544 13.099 302 HB3 ARG 38 2HB ARG 38 -11.088 -5.279 14.310 303 HG2 ARG 38 1HG ARG 38 -9.490 -4.430 12.107 304 HG3 ARG 38 2HG ARG 38 -10.531 -3.102 12.621 305 HD2 ARG 38 1HD ARG 38 -8.795 -4.725 14.476 306 HD3 ARG 38 2HD ARG 38 -8.325 -3.175 13.780 307 HE ARG 38 HE ARG 38 -10.767 -2.763 15.025 308 HH11 ARG 38 1HH1 ARG 38 -7.527 -3.716 15.943 309 HH12 ARG 38 2HH1 ARG 38 -7.654 -3.075 17.552 310 HH21 ARG 38 1HH2 ARG 38 -10.927 -1.885 17.139 311 HH22 ARG 38 2HH2 ARG 38 -9.577 -2.017 18.225 312 H ASP 39 H ASP 39 -10.818 -8.630 13.393 313 HA ASP 39 HA ASP 39 -13.420 -9.654 13.147 314 HB2 ASP 39 1HB ASP 39 -11.490 -11.119 13.494 315 HB3 ASP 39 2HB ASP 39 -11.237 -10.434 15.097 316 H GLY 40 H GLY 40 -11.778 -8.015 15.789 317 HA2 GLY 40 1HA GLY 40 -14.375 -7.210 16.844 318 HA3 GLY 40 2HA GLY 40 -13.307 -8.091 17.931 319 H ARG 41 H ARG 41 -12.143 -6.859 19.218 320 HA ARG 41 HA ARG 41 -11.163 -4.275 18.193 321 HB2 ARG 41 1HB ARG 41 -12.390 -4.829 20.889 322 HB3 ARG 41 2HB ARG 41 -11.401 -3.416 20.565 323 HG2 ARG 41 1HG ARG 41 -13.013 -2.736 18.824 324 HG3 ARG 41 2HG ARG 41 -14.026 -4.114 19.276 325 HD2 ARG 41 1HD ARG 41 -14.226 -3.253 21.536 326 HD3 ARG 41 2HD ARG 41 -13.157 -1.911 21.140 327 HE ARG 41 HE ARG 41 -15.185 -1.683 19.343 328 HH11 ARG 41 1HH1 ARG 41 -15.009 -1.918 22.837 329 HH12 ARG 41 2HH1 ARG 41 -16.445 -0.968 23.094 330 HH21 ARG 41 1HH2 ARG 41 -17.071 -0.407 19.696 331 HH22 ARG 41 2HH2 ARG 41 -17.605 -0.116 21.329 332 H PHE 42 H PHE 42 -10.841 -6.482 20.978 333 HA PHE 42 HA PHE 42 -9.115 -6.989 22.330 334 HB2 PHE 42 1HB PHE 42 -8.023 -7.846 20.283 335 HB3 PHE 42 2HB PHE 42 -7.357 -6.244 19.981 336 HD1 PHE 42 HD2 PHE 42 -7.497 -8.811 22.659 337 HD2 PHE 42 HD1 PHE 42 -5.222 -5.793 20.711 338 HE1 PHE 42 HE2 PHE 42 -5.558 -9.367 24.075 339 HE2 PHE 42 HE1 PHE 42 -3.278 -6.336 22.124 340 HZ PHE 42 HZ PHE 42 -3.447 -8.126 23.808 341 H GLU 43 H GLU 43 -7.400 -4.491 20.529 342 HA GLU 43 HA GLU 43 -7.984 -2.439 22.477 343 HB2 GLU 43 1HB GLU 43 -5.195 -3.549 22.149 344 HB3 GLU 43 2HB GLU 43 -5.503 -1.941 22.783 345 HG2 GLU 43 1HG GLU 43 -6.973 -3.134 24.516 346 HG3 GLU 43 2HG GLU 43 -6.131 -4.597 24.004 347 H GLU 44 H GLU 44 -6.183 -0.543 21.791 348 HA GLU 44 HA GLU 44 -6.781 -0.008 19.022 349 HB2 GLU 44 1HB GLU 44 -5.144 1.543 21.037 350 HB3 GLU 44 2HB GLU 44 -5.498 2.095 19.405 351 HG2 GLU 44 1HG GLU 44 -7.912 1.987 19.952 352 HG3 GLU 44 2HG GLU 44 -7.475 1.591 21.614 353 H THR 45 H THR 45 -5.615 -2.098 18.542 354 HA THR 45 HA THR 45 -2.832 -2.343 18.615 355 HB THR 45 HB THR 45 -4.615 -3.453 16.441 356 HG1 THR 45 HG1 THR 45 -4.375 -5.237 18.344 357 HG21 THR 45 3HG2 THR 45 -2.137 -4.552 17.779 358 HG22 THR 45 1HG2 THR 45 -2.188 -3.796 16.186 359 HG23 THR 45 2HG2 THR 45 -3.040 -5.313 16.470 360 H LYS 46 H LYS 46 -1.393 -1.003 17.724 361 HA LYS 46 HA LYS 46 -2.109 0.658 15.477 362 HB2 LYS 46 1HB LYS 46 0.481 0.375 17.013 363 HB3 LYS 46 2HB LYS 46 0.194 1.560 15.745 364 HG2 LYS 46 1HG LYS 46 -1.517 2.626 17.050 365 HG3 LYS 46 2HG LYS 46 -1.410 1.368 18.283 366 HD2 LYS 46 1HD LYS 46 0.915 2.039 18.732 367 HD3 LYS 46 2HD LYS 46 0.762 3.324 17.532 368 HE2 LYS 46 1HE LYS 46 -0.915 4.428 18.838 369 HE3 LYS 46 2HE LYS 46 -1.005 3.070 19.960 370 HZ1 LYS 46 3HZ LYS 46 0.293 4.869 20.894 371 HZ2 LYS 46 1HZ LYS 46 1.343 4.850 19.561 372 HZ3 LYS 46 2HZ LYS 46 1.287 3.525 20.611 373 H TYR 47 H TYR 47 -1.976 -0.023 13.471 374 HA TYR 47 HA TYR 47 -0.163 -2.220 12.802 375 HB2 TYR 47 1HB TYR 47 -2.274 -0.969 11.036 376 HB3 TYR 47 2HB TYR 47 -1.480 -2.527 10.823 377 HD1 TYR 47 HD1 TYR 47 -1.972 -4.368 12.497 378 HD2 TYR 47 HD2 TYR 47 -4.253 -0.784 12.290 379 HE1 TYR 47 HE1 TYR 47 -3.791 -5.456 13.738 380 HE2 TYR 47 HE2 TYR 47 -6.079 -1.865 13.532 381 HH TYR 47 HH TYR 47 -5.669 -5.000 15.001 382 H PHE 48 H PHE 48 1.554 -1.947 11.449 383 HA PHE 48 HA PHE 48 2.022 0.808 10.502 384 HB2 PHE 48 1HB PHE 48 4.051 -1.251 11.391 385 HB3 PHE 48 2HB PHE 48 4.431 0.351 10.772 386 HD1 PHE 48 HD2 PHE 48 3.812 2.354 12.081 387 HD2 PHE 48 HD1 PHE 48 3.388 -1.580 13.639 388 HE1 PHE 48 HE2 PHE 48 3.656 3.277 14.357 389 HE2 PHE 48 HE1 PHE 48 3.230 -0.667 15.917 390 HZ PHE 48 HZ PHE 48 3.365 1.764 16.276 391 H ILE 49 H ILE 49 2.748 1.122 8.433 392 HA ILE 49 HA ILE 49 2.826 -1.300 6.758 393 HB ILE 49 HB ILE 49 0.846 0.060 6.310 394 HG12 ILE 49 1HG1 ILE 49 2.869 0.247 4.071 395 HG13 ILE 49 2HG1 ILE 49 1.911 -1.179 4.460 396 HG21 ILE 49 1HG2 ILE 49 2.767 2.272 5.602 397 HG22 ILE 49 2HG2 ILE 49 1.707 2.231 7.010 398 HG23 ILE 49 3HG2 ILE 49 1.016 2.310 5.388 399 HD11 ILE 49 3HD1 ILE 49 -0.129 0.042 3.928 400 HD12 ILE 49 1HD1 ILE 49 0.989 0.036 2.564 401 HD13 ILE 49 2HD1 ILE 49 0.824 1.482 3.562 402 H ARG 50 H ARG 50 4.594 -1.671 5.603 403 HA ARG 50 HA ARG 50 6.448 0.541 5.036 404 HB2 ARG 50 1HB ARG 50 7.218 -0.735 7.064 405 HB3 ARG 50 2HB ARG 50 7.342 -2.167 6.050 406 HG2 ARG 50 1HG ARG 50 9.027 -1.083 4.680 407 HG3 ARG 50 2HG ARG 50 8.869 0.397 5.632 408 HD2 ARG 50 1HD ARG 50 10.816 -0.844 6.354 409 HD3 ARG 50 2HD ARG 50 9.601 -0.838 7.630 410 HE ARG 50 HE ARG 50 9.864 -3.144 5.817 411 HH11 ARG 50 1HH1 ARG 50 9.971 -1.786 9.044 412 HH12 ARG 50 2HH1 ARG 50 10.001 -3.334 9.838 413 HH21 ARG 50 1HH2 ARG 50 9.922 -5.165 6.833 414 HH22 ARG 50 2HH2 ARG 50 9.988 -5.271 8.570 415 H TYR 51 H TYR 51 7.399 0.400 3.036 416 HA TYR 51 HA TYR 51 6.485 -1.832 1.345 417 HB2 TYR 51 1HB TYR 51 6.472 0.531 -0.216 418 HB3 TYR 51 2HB TYR 51 5.078 -0.421 0.304 419 HD1 TYR 51 HD2 TYR 51 7.261 2.424 1.211 420 HD2 TYR 51 HD1 TYR 51 3.633 0.359 2.013 421 HE1 TYR 51 HE2 TYR 51 6.568 4.233 2.717 422 HE2 TYR 51 HE1 TYR 51 2.937 2.161 3.526 423 HH TYR 51 HH TYR 51 4.027 3.913 4.893 424 H PHE 52 H PHE 52 8.313 -2.809 0.767 425 HA PHE 52 HA PHE 52 10.679 -1.185 0.221 426 HB2 PHE 52 1HB PHE 52 10.950 -3.142 1.699 427 HB3 PHE 52 2HB PHE 52 10.386 -4.194 0.406 428 HD1 PHE 52 HD2 PHE 52 13.050 -1.754 1.243 429 HD2 PHE 52 HD1 PHE 52 11.891 -5.106 -1.105 430 HE1 PHE 52 HE2 PHE 52 15.357 -1.967 0.418 431 HE2 PHE 52 HE1 PHE 52 14.196 -5.326 -1.935 432 HZ PHE 52 HZ PHE 52 15.930 -3.753 -1.174 433 H GLN 53 H GLN 53 10.945 -0.508 -1.795 434 HA GLN 53 HA GLN 53 10.029 -2.228 -3.981 435 HB2 GLN 53 1HB GLN 53 10.305 -0.204 -5.416 436 HB3 GLN 53 2HB GLN 53 9.092 -0.033 -4.157 437 HG2 GLN 53 1HG GLN 53 10.663 1.254 -2.807 438 HG3 GLN 53 2HG GLN 53 11.892 1.073 -4.059 439 HE21 GLN 53 2HE2 GLN 53 12.068 3.279 -4.380 440 HE22 GLN 53 1HE2 GLN 53 10.835 4.213 -5.159 441 HA PRO 54 HA PRO 54 14.423 -3.304 -4.177 442 HB2 PRO 54 1HB PRO 54 13.349 -4.999 -6.361 443 HB3 PRO 54 2HB PRO 54 14.347 -5.451 -4.974 444 HG2 PRO 54 1HG PRO 54 11.758 -6.096 -5.077 445 HG3 PRO 54 2HG PRO 54 12.531 -5.621 -3.554 446 HD2 PRO 54 1HD PRO 54 10.740 -4.038 -5.350 447 HD3 PRO 54 2HD PRO 54 10.807 -4.081 -3.576 448 H ASP 55 H ASP 55 12.326 -2.918 -7.010 449 HA ASP 55 HA ASP 55 14.108 -0.957 -8.146 450 HB2 ASP 55 1HB ASP 55 15.148 -3.037 -8.926 451 HB3 ASP 55 2HB ASP 55 13.606 -3.579 -9.576 452 H GLY 56 H GLY 56 12.844 0.581 -8.901 453 HA2 GLY 56 1HA GLY 56 10.828 0.397 -10.747 454 HA3 GLY 56 2HA GLY 56 10.025 0.180 -9.196 455 H ALA 57 H ALA 57 9.270 2.308 -10.669 456 HA ALA 57 HA ALA 57 10.319 4.531 -9.089 457 HB1 ALA 57 3HB ALA 57 10.478 5.983 -11.062 458 HB2 ALA 57 1HB ALA 57 10.104 4.608 -12.097 459 HB3 ALA 57 2HB ALA 57 11.595 4.622 -11.156 460 H GLY 58 H GLY 58 8.460 4.807 -7.962 461 HA2 GLY 58 1HA GLY 58 6.226 5.956 -9.446 462 HA3 GLY 58 2HA GLY 58 5.878 4.534 -8.469 463 H THR 59 H THR 59 4.497 6.722 -7.847 464 HA THR 59 HA THR 59 5.774 7.608 -5.341 465 HB THR 59 HB THR 59 3.865 9.226 -7.047 466 HG1 THR 59 HG1 THR 59 6.556 8.912 -7.128 467 HG21 THR 59 3HG2 THR 59 5.404 9.994 -4.561 468 HG22 THR 59 1HG2 THR 59 3.671 9.671 -4.629 469 HG23 THR 59 2HG2 THR 59 4.346 11.048 -5.499 470 H LEU 60 H LEU 60 4.774 6.657 -3.695 471 HA LEU 60 HA LEU 60 1.931 5.986 -3.970 472 HB2 LEU 60 1HB LEU 60 3.494 4.128 -3.525 473 HB3 LEU 60 2HB LEU 60 3.991 4.913 -2.039 474 HG LEU 60 HG LEU 60 1.696 4.662 -1.161 475 HD11 LEU 60 1HD1 LEU 60 0.120 3.191 -2.323 476 HD12 LEU 60 2HD1 LEU 60 1.220 3.104 -3.697 477 HD13 LEU 60 3HD1 LEU 60 0.473 4.641 -3.262 478 HD21 LEU 60 3HD2 LEU 60 1.814 2.260 -0.778 479 HD22 LEU 60 1HD2 LEU 60 3.413 2.995 -0.669 480 HD23 LEU 60 2HD2 LEU 60 2.955 2.094 -2.113 481 H LYS 61 H LYS 61 0.542 7.280 -2.984 482 HA LYS 61 HA LYS 61 1.358 8.497 -0.429 483 HB2 LYS 61 1HB LYS 61 -0.123 9.710 -2.737 484 HB3 LYS 61 2HB LYS 61 -0.437 10.275 -1.104 485 HG2 LYS 61 1HG LYS 61 1.978 10.780 -0.868 486 HG3 LYS 61 2HG LYS 61 2.194 10.336 -2.564 487 HD2 LYS 61 1HD LYS 61 0.293 12.474 -1.599 488 HD3 LYS 61 2HD LYS 61 1.935 12.790 -2.167 489 HE2 LYS 61 1HE LYS 61 1.394 11.894 -4.346 490 HE3 LYS 61 2HE LYS 61 -0.216 11.438 -3.791 491 HZ1 LYS 61 3HZ LYS 61 -0.828 13.699 -3.575 492 HZ2 LYS 61 1HZ LYS 61 -0.112 13.542 -5.102 493 HZ3 LYS 61 2HZ LYS 61 0.759 14.241 -3.822 494 H MET 62 H MET 62 -0.209 8.629 1.165 495 HA MET 62 HA MET 62 -2.398 6.747 0.905 496 HB2 MET 62 1HB MET 62 -0.969 6.956 2.974 497 HB3 MET 62 2HB MET 62 -1.695 8.534 3.244 498 HG2 MET 62 1HG MET 62 -3.891 7.501 3.447 499 HG3 MET 62 2HG MET 62 -3.177 5.918 3.146 500 HE1 MET 62 3HE MET 62 -0.423 6.217 4.729 501 HE2 MET 62 1HE MET 62 -1.412 4.759 4.823 502 HE3 MET 62 2HE MET 62 -0.844 5.538 6.301 503 H SER 63 H SER 63 -4.608 7.344 1.254 504 HA SER 63 HA SER 63 -5.543 9.495 -0.197 505 HB2 SER 63 1HB SER 63 -7.691 9.097 1.174 506 HB3 SER 63 2HB SER 63 -7.059 7.757 0.221 507 HG SER 63 HG SER 63 -6.540 8.165 3.004 508 H ASP 64 H ASP 64 -4.480 9.410 3.085 509 HA ASP 64 HA ASP 64 -5.857 11.866 3.788 510 HB2 ASP 64 1HB ASP 64 -4.088 10.026 5.415 511 HB3 ASP 64 2HB ASP 64 -4.997 11.394 6.054 512 H GLY 65 H GLY 65 -3.441 11.522 1.900 513 HA2 GLY 65 1HA GLY 65 -2.094 13.262 1.142 514 HA3 GLY 65 2HA GLY 65 -2.329 14.089 2.670 515 H THR 66 H THR 66 -1.471 11.032 3.463 516 HA THR 66 HA THR 66 1.135 11.849 4.294 517 HB THR 66 HB THR 66 0.027 9.041 4.321 518 HG1 THR 66 HG1 THR 66 -0.601 11.304 5.874 519 HG21 THR 66 3HG2 THR 66 2.408 9.265 4.880 520 HG22 THR 66 1HG2 THR 66 1.460 8.793 6.289 521 HG23 THR 66 2HG2 THR 66 2.005 10.460 6.113 522 H VAL 67 H VAL 67 2.852 11.912 2.975 523 HA VAL 67 HA VAL 67 2.986 10.322 0.581 524 HB VAL 67 HB VAL 67 5.082 12.087 1.865 525 HG11 VAL 67 1HG1 VAL 67 5.050 10.746 -0.839 526 HG12 VAL 67 2HG1 VAL 67 6.159 10.413 0.491 527 HG13 VAL 67 3HG1 VAL 67 6.215 11.971 -0.334 528 HG21 VAL 67 3HG2 VAL 67 3.239 12.565 -0.480 529 HG22 VAL 67 1HG2 VAL 67 4.509 13.661 0.069 530 HG23 VAL 67 2HG2 VAL 67 3.125 13.324 1.111 531 H LEU 68 H LEU 68 3.665 8.318 0.468 532 HA LEU 68 HA LEU 68 4.778 7.110 2.871 533 HB2 LEU 68 1HB LEU 68 3.775 5.793 0.348 534 HB3 LEU 68 2HB LEU 68 4.110 5.009 1.879 535 HG LEU 68 HG LEU 68 1.901 7.009 1.371 536 HD11 LEU 68 1HD1 LEU 68 1.809 4.042 1.879 537 HD12 LEU 68 2HD1 LEU 68 1.466 4.847 0.347 538 HD13 LEU 68 3HD1 LEU 68 0.412 5.107 1.736 539 HD21 LEU 68 3HD2 LEU 68 2.757 7.185 3.653 540 HD22 LEU 68 1HD2 LEU 68 2.564 5.442 3.861 541 HD23 LEU 68 2HD2 LEU 68 1.147 6.466 3.629 542 H LEU 69 H LEU 69 6.884 6.819 3.038 543 HA LEU 69 HA LEU 69 8.514 6.678 0.604 544 HB2 LEU 69 1HB LEU 69 9.303 7.374 3.436 545 HB3 LEU 69 2HB LEU 69 10.415 7.271 2.084 546 HG LEU 69 HG LEU 69 8.146 9.245 2.357 547 HD11 LEU 69 1HD1 LEU 69 9.910 10.901 2.604 548 HD12 LEU 69 2HD1 LEU 69 11.131 9.632 2.518 549 HD13 LEU 69 3HD1 LEU 69 10.008 9.683 3.877 550 HD21 LEU 69 3HD2 LEU 69 10.254 8.960 0.217 551 HD22 LEU 69 1HD2 LEU 69 9.091 10.280 0.346 552 HD23 LEU 69 2HD2 LEU 69 8.531 8.637 0.029 553 HA PRO 70 HA PRO 70 9.021 2.352 1.085 554 HB2 PRO 70 1HB PRO 70 11.762 2.916 0.057 555 HB3 PRO 70 2HB PRO 70 10.559 1.754 -0.514 556 HG2 PRO 70 1HG PRO 70 10.981 4.005 -1.854 557 HG3 PRO 70 2HG PRO 70 9.336 3.376 -1.645 558 HD2 PRO 70 1HD PRO 70 10.686 5.646 -0.254 559 HD3 PRO 70 2HD PRO 70 8.995 5.482 -0.769 560 H ASN 71 H ASN 71 11.737 4.398 2.163 561 HA ASN 71 HA ASN 71 12.643 2.248 3.926 562 HB2 ASN 71 1HB ASN 71 14.207 3.652 2.484 563 HB3 ASN 71 2HB ASN 71 13.887 4.978 3.596 564 HD21 ASN 71 2HD2 ASN 71 14.110 1.628 4.597 565 HD22 ASN 71 1HD2 ASN 71 15.583 1.801 5.483 566 H ASP 72 H ASP 72 10.178 4.087 4.245 567 HA ASP 72 HA ASP 72 10.767 4.927 7.007 568 HB2 ASP 72 1HB ASP 72 8.992 6.106 4.905 569 HB3 ASP 72 2HB ASP 72 8.576 6.321 6.602 570 H LEU 73 H LEU 73 8.660 4.996 8.337 571 HA LEU 73 HA LEU 73 6.959 2.683 7.759 572 HB2 LEU 73 1HB LEU 73 8.804 1.972 9.266 573 HB3 LEU 73 2HB LEU 73 8.312 3.203 10.412 574 HG LEU 73 HG LEU 73 6.127 2.057 10.664 575 HD11 LEU 73 1HD1 LEU 73 5.877 -0.215 9.801 576 HD12 LEU 73 2HD1 LEU 73 7.410 -0.060 8.944 577 HD13 LEU 73 3HD1 LEU 73 6.041 0.957 8.493 578 HD21 LEU 73 3HD2 LEU 73 7.937 1.626 12.239 579 HD22 LEU 73 1HD2 LEU 73 8.557 0.351 11.191 580 HD23 LEU 73 2HD2 LEU 73 6.984 0.167 11.966 581 H TYR 74 H TYR 74 4.881 3.261 7.941 582 HA TYR 74 HA TYR 74 4.228 5.547 9.690 583 HB2 TYR 74 1HB TYR 74 3.060 4.805 7.005 584 HB3 TYR 74 2HB TYR 74 2.308 5.963 8.095 585 HD1 TYR 74 HD2 TYR 74 3.615 8.053 8.709 586 HD2 TYR 74 HD1 TYR 74 4.769 5.454 5.550 587 HE1 TYR 74 HE2 TYR 74 4.969 9.857 7.725 588 HE2 TYR 74 HE1 TYR 74 6.121 7.245 4.563 589 HH TYR 74 HH TYR 74 6.142 9.736 4.575 590 HA PRO 75 HA PRO 75 1.171 2.792 11.454 591 HB2 PRO 75 1HB PRO 75 -0.068 4.595 13.026 592 HB3 PRO 75 2HB PRO 75 1.533 3.958 13.419 593 HG2 PRO 75 1HG PRO 75 0.779 6.583 12.216 594 HG3 PRO 75 2HG PRO 75 2.043 6.211 13.398 595 HD2 PRO 75 1HD PRO 75 2.481 6.581 10.699 596 HD3 PRO 75 2HD PRO 75 3.559 5.679 11.782 597 H LEU 76 H LEU 76 -0.887 2.257 10.904 598 HA LEU 76 HA LEU 76 -2.129 3.707 8.770 599 HB2 LEU 76 1HB LEU 76 -3.111 1.332 10.358 600 HB3 LEU 76 2HB LEU 76 -3.849 1.938 8.886 601 HG LEU 76 HG LEU 76 -1.088 0.738 9.134 602 HD11 LEU 76 1HD1 LEU 76 -2.010 -1.040 7.727 603 HD12 LEU 76 2HD1 LEU 76 -3.599 -0.281 7.816 604 HD13 LEU 76 3HD1 LEU 76 -2.845 -0.922 9.276 605 HD21 LEU 76 3HD2 LEU 76 -0.962 0.949 6.715 606 HD22 LEU 76 1HD2 LEU 76 -1.154 2.533 7.468 607 HD23 LEU 76 2HD2 LEU 76 -2.530 1.756 6.686 608 HA PRO 77 HA PRO 77 -4.789 6.384 11.064 609 HB2 PRO 77 1HB PRO 77 -6.760 6.061 8.891 610 HB3 PRO 77 2HB PRO 77 -5.913 7.512 9.434 611 HG2 PRO 77 1HG PRO 77 -5.315 6.325 7.107 612 HG3 PRO 77 2HG PRO 77 -4.070 7.094 8.110 613 HD2 PRO 77 1HD PRO 77 -4.741 4.189 7.815 614 HD3 PRO 77 2HD PRO 77 -3.150 4.973 7.914 615 H GLY 78 H GLY 78 -6.174 3.476 9.629 616 HA2 GLY 78 1HA GLY 78 -7.436 2.651 12.007 617 HA3 GLY 78 2HA GLY 78 -8.620 3.427 10.963 618 H GLU 79 H GLU 79 -9.711 1.415 10.794 619 HA GLU 79 HA GLU 79 -8.510 -0.951 9.868 620 HB2 GLU 79 1HB GLU 79 -11.393 -0.073 9.628 621 HB3 GLU 79 2HB GLU 79 -10.805 -1.708 9.375 622 HG2 GLU 79 1HG GLU 79 -11.514 -1.911 11.503 623 HG3 GLU 79 2HG GLU 79 -9.867 -1.370 11.815 624 H THR 80 H THR 80 -10.288 1.579 8.111 625 HA THR 80 HA THR 80 -9.447 0.274 5.613 626 HB THR 80 HB THR 80 -11.893 0.294 5.952 627 HG1 THR 80 HG1 THR 80 -11.969 2.013 3.909 628 HG21 THR 80 3HG2 THR 80 -13.115 2.435 5.790 629 HG22 THR 80 1HG2 THR 80 -11.577 3.291 5.919 630 HG23 THR 80 2HG2 THR 80 -12.153 2.303 7.263 631 H PHE 81 H PHE 81 -8.374 1.407 4.109 632 HA PHE 81 HA PHE 81 -8.266 4.290 4.163 633 HB2 PHE 81 1HB PHE 81 -5.790 4.397 4.315 634 HB3 PHE 81 2HB PHE 81 -6.532 3.811 5.797 635 HD1 PHE 81 HD1 PHE 81 -6.449 1.367 6.321 636 HD2 PHE 81 HD2 PHE 81 -4.229 3.098 3.129 637 HE1 PHE 81 HE1 PHE 81 -4.983 -0.609 6.274 638 HE2 PHE 81 HE2 PHE 81 -2.761 1.125 3.075 639 HZ PHE 81 HZ PHE 81 -3.137 -0.731 4.650 640 H ARG 82 H ARG 82 -6.726 5.055 2.333 641 HA ARG 82 HA ARG 82 -6.932 3.149 0.098 642 HB2 ARG 82 1HB ARG 82 -7.606 6.095 -0.017 643 HB3 ARG 82 2HB ARG 82 -7.676 4.963 -1.359 644 HG2 ARG 82 1HG ARG 82 -9.726 4.332 -0.815 645 HG3 ARG 82 2HG ARG 82 -9.256 4.017 0.855 646 HD2 ARG 82 1HD ARG 82 -10.008 6.700 -0.303 647 HD3 ARG 82 2HD ARG 82 -11.026 5.695 0.727 648 HE ARG 82 HE ARG 82 -8.434 6.599 1.763 649 HH11 ARG 82 1HH1 ARG 82 -11.934 6.793 1.825 650 HH12 ARG 82 2HH1 ARG 82 -11.971 7.658 3.337 651 HH21 ARG 82 1HH2 ARG 82 -8.506 7.735 3.762 652 HH22 ARG 82 2HH2 ARG 82 -10.048 8.184 4.426 653 H LEU 83 H LEU 83 -5.133 2.983 -1.118 654 HA LEU 83 HA LEU 83 -3.002 4.963 -0.661 655 HB2 LEU 83 1HB LEU 83 -2.787 2.122 -1.666 656 HB3 LEU 83 2HB LEU 83 -1.444 3.215 -1.400 657 HG LEU 83 HG LEU 83 -3.263 2.084 0.728 658 HD11 LEU 83 1HD1 LEU 83 -0.362 1.575 0.091 659 HD12 LEU 83 2HD1 LEU 83 -1.699 0.451 -0.166 660 HD13 LEU 83 3HD1 LEU 83 -1.243 0.923 1.472 661 HD21 LEU 83 3HD2 LEU 83 -0.862 3.889 1.004 662 HD22 LEU 83 1HD2 LEU 83 -1.782 3.173 2.325 663 HD23 LEU 83 2HD2 LEU 83 -2.540 4.365 1.267 664 H TYR 84 H TYR 84 -2.555 6.295 -2.281 665 HA TYR 84 HA TYR 84 -3.604 5.656 -4.938 666 HB2 TYR 84 1HB TYR 84 -2.717 8.240 -3.662 667 HB3 TYR 84 2HB TYR 84 -3.031 8.103 -5.390 668 HD1 TYR 84 HD1 TYR 84 -5.287 7.746 -6.221 669 HD2 TYR 84 HD2 TYR 84 -4.538 8.190 -2.057 670 HE1 TYR 84 HE1 TYR 84 -7.686 8.110 -5.835 671 HE2 TYR 84 HE2 TYR 84 -6.937 8.555 -1.661 672 HH TYR 84 HH TYR 84 -9.295 7.867 -3.992 673 H TYR 85 H TYR 85 -2.207 4.459 -6.008 674 HA TYR 85 HA TYR 85 0.649 4.960 -5.808 675 HB2 TYR 85 1HB TYR 85 -0.244 2.635 -5.828 676 HB3 TYR 85 2HB TYR 85 -0.842 2.905 -7.461 677 HD1 TYR 85 HD2 TYR 85 2.267 2.819 -5.430 678 HD2 TYR 85 HD1 TYR 85 0.554 2.529 -9.310 679 HE1 TYR 85 HE2 TYR 85 4.436 2.088 -6.326 680 HE2 TYR 85 HE1 TYR 85 2.715 1.794 -10.220 681 HH TYR 85 HH TYR 85 5.096 1.921 -9.672 682 H THR 86 H THR 86 1.212 6.752 -6.883 683 HA THR 86 HA THR 86 0.068 7.318 -9.500 684 HB THR 86 HB THR 86 2.223 8.876 -8.061 685 HG1 THR 86 HG1 THR 86 -0.155 8.440 -7.140 686 HG21 THR 86 3HG2 THR 86 1.894 9.434 -10.423 687 HG22 THR 86 1HG2 THR 86 1.339 10.747 -9.386 688 HG23 THR 86 2HG2 THR 86 0.170 9.663 -10.139 689 H SER 87 H SER 87 0.913 6.239 -11.164 690 HA SER 87 HA SER 87 3.521 5.091 -11.087 691 HB2 SER 87 1HB SER 87 1.610 5.414 -13.412 692 HB3 SER 87 2HB SER 87 3.009 4.340 -13.364 693 HG SER 87 HG SER 87 1.865 2.947 -12.297 694 H ALA 88 H ALA 88 5.244 6.371 -11.141 695 HA ALA 88 HA ALA 88 5.316 8.694 -12.908 696 HB1 ALA 88 3HB ALA 88 6.172 8.904 -10.605 697 HB2 ALA 88 1HB ALA 88 7.420 9.228 -11.807 698 HB3 ALA 88 2HB ALA 88 7.390 7.683 -10.961 699 H SER 89 H SER 89 5.593 5.583 -13.356 700 HA SER 89 HA SER 89 7.317 5.819 -15.653 701 HB2 SER 89 1HB SER 89 8.943 5.273 -13.897 702 HB3 SER 89 2HB SER 89 7.963 3.897 -13.395 703 HG SER 89 HG SER 89 9.588 4.221 -15.653 704 H THR 90 H THR 90 7.114 3.924 -17.044 705 HA THR 90 HA THR 90 4.752 2.290 -16.395 706 HB THR 90 HB THR 90 4.386 3.888 -18.288 707 HG1 THR 90 HG1 THR 90 4.334 1.099 -18.864 708 HG21 THR 90 3HG2 THR 90 5.437 3.391 -20.459 709 HG22 THR 90 1HG2 THR 90 6.466 2.193 -19.677 710 HG23 THR 90 2HG2 THR 90 6.621 3.898 -19.254 711 H ASP 91 H ASP 91 7.876 2.141 -16.264 712 HA ASP 91 HA ASP 91 8.451 -0.244 -17.795 713 HB2 ASP 91 1HB ASP 91 10.078 1.291 -15.752 714 HB3 ASP 91 2HB ASP 91 10.671 -0.108 -16.638 715 H GLN 92 H GLN 92 10.010 -1.716 -16.084 716 HA GLN 92 HA GLN 92 8.046 -3.123 -14.559 717 HB2 GLN 92 1HB GLN 92 10.232 -3.984 -15.779 718 HB3 GLN 92 2HB GLN 92 10.978 -3.629 -14.227 719 HG2 GLN 92 1HG GLN 92 8.589 -5.425 -14.575 720 HG3 GLN 92 2HG GLN 92 10.253 -5.993 -14.533 721 HE21 GLN 92 2HE2 GLN 92 7.957 -6.544 -12.772 722 HE22 GLN 92 1HE2 GLN 92 8.500 -6.135 -11.174 723 H GLN 93 H GLN 93 7.361 -2.491 -12.672 724 HA GLN 93 HA GLN 93 9.267 -1.359 -10.751 725 HB2 GLN 93 1HB GLN 93 7.264 0.094 -9.985 726 HB3 GLN 93 2HB GLN 93 8.150 0.578 -11.424 727 HG2 GLN 93 1HG GLN 93 6.381 -0.680 -12.744 728 HG3 GLN 93 2HG GLN 93 5.458 -0.725 -11.244 729 HE21 GLN 93 2HE2 GLN 93 4.937 0.588 -13.822 730 HE22 GLN 93 1HE2 GLN 93 4.689 2.261 -13.460 731 H THR 94 H THR 94 9.385 -2.634 -9.066 732 HA THR 94 HA THR 94 7.024 -4.235 -8.318 733 HB THR 94 HB THR 94 9.929 -4.891 -7.773 734 HG1 THR 94 HG1 THR 94 9.558 -5.050 -9.989 735 HG21 THR 94 3HG2 THR 94 9.053 -7.132 -7.270 736 HG22 THR 94 1HG2 THR 94 7.411 -6.540 -7.526 737 HG23 THR 94 2HG2 THR 94 8.379 -5.909 -6.193 738 H VAL 95 H VAL 95 6.145 -3.802 -6.401 739 HA VAL 95 HA VAL 95 7.835 -2.610 -4.302 740 HB VAL 95 HB VAL 95 4.946 -1.869 -4.808 741 HG11 VAL 95 1HG1 VAL 95 5.585 -1.705 -2.475 742 HG12 VAL 95 2HG1 VAL 95 5.372 -0.096 -3.164 743 HG13 VAL 95 3HG1 VAL 95 6.995 -0.737 -2.904 744 HG21 VAL 95 3HG2 VAL 95 7.434 -0.271 -5.404 745 HG22 VAL 95 1HG2 VAL 95 5.772 0.307 -5.551 746 HG23 VAL 95 2HG2 VAL 95 6.349 -0.991 -6.594 747 H ASP 96 H ASP 96 7.967 -4.029 -2.681 748 HA ASP 96 HA ASP 96 5.761 -5.863 -2.157 749 HB2 ASP 96 1HB ASP 96 8.524 -5.596 -0.965 750 HB3 ASP 96 2HB ASP 96 7.324 -6.727 -0.356 751 H VAL 97 H VAL 97 4.137 -5.118 -0.967 752 HA VAL 97 HA VAL 97 4.690 -3.031 1.004 753 HB VAL 97 HB VAL 97 2.017 -4.028 0.002 754 HG11 VAL 97 1HG1 VAL 97 1.145 -1.959 1.020 755 HG12 VAL 97 2HG1 VAL 97 2.745 -1.635 1.686 756 HG13 VAL 97 3HG1 VAL 97 1.844 -3.055 2.211 757 HG21 VAL 97 3HG2 VAL 97 3.277 -2.974 -1.784 758 HG22 VAL 97 1HG2 VAL 97 3.593 -1.573 -0.762 759 HG23 VAL 97 2HG2 VAL 97 1.946 -1.932 -1.279 760 H TYR 98 H TYR 98 5.094 -3.664 2.976 761 HA TYR 98 HA TYR 98 3.989 -6.203 3.946 762 HB2 TYR 98 1HB TYR 98 6.213 -4.512 5.112 763 HB3 TYR 98 2HB TYR 98 5.725 -6.109 5.661 764 HD1 TYR 98 HD2 TYR 98 6.248 -8.100 4.308 765 HD2 TYR 98 HD1 TYR 98 7.603 -4.231 3.175 766 HE1 TYR 98 HE2 TYR 98 7.883 -9.124 2.787 767 HE2 TYR 98 HE1 TYR 98 9.242 -5.244 1.650 768 HH TYR 98 HH TYR 98 9.163 -8.501 0.751 769 H PHE 99 H PHE 99 2.469 -6.224 5.438 770 HA PHE 99 HA PHE 99 1.902 -3.751 6.940 771 HB2 PHE 99 1HB PHE 99 0.110 -6.108 6.295 772 HB3 PHE 99 2HB PHE 99 -0.349 -4.762 7.329 773 HD1 PHE 99 HD2 PHE 99 -0.838 -2.588 6.400 774 HD2 PHE 99 HD1 PHE 99 0.261 -5.852 3.897 775 HE1 PHE 99 HE2 PHE 99 -1.654 -1.353 4.438 776 HE2 PHE 99 HE1 PHE 99 -0.555 -4.619 1.929 777 HZ PHE 99 HZ PHE 99 -1.516 -2.367 2.199 778 H GLN 100 H GLN 100 2.717 -3.823 8.932 779 HA GLN 100 HA GLN 100 3.006 -6.474 10.171 780 HB2 GLN 100 1HB GLN 100 4.793 -5.434 11.561 781 HB3 GLN 100 2HB GLN 100 5.157 -5.483 9.843 782 HG2 GLN 100 1HG GLN 100 4.363 -3.109 9.725 783 HG3 GLN 100 2HG GLN 100 4.325 -3.117 11.487 784 HE21 GLN 100 2HE2 GLN 100 6.350 -3.227 8.665 785 HE22 GLN 100 1HE2 GLN 100 7.843 -2.918 9.479 786 H ASP 101 H ASP 101 1.987 -6.916 11.924 787 HA ASP 101 HA ASP 101 0.144 -5.014 13.084 788 HB2 ASP 101 1HB ASP 101 -0.354 -7.463 12.572 789 HB3 ASP 101 2HB ASP 101 0.673 -7.869 13.941 790 H SER 102 H SER 102 -0.018 -5.011 15.551 791 HA SER 102 HA SER 102 2.490 -4.108 16.606 792 HB2 SER 102 1HB SER 102 0.253 -3.068 17.125 793 HB3 SER 102 2HB SER 102 -0.130 -4.500 18.076 794 HG SER 102 HG SER 102 2.287 -3.276 18.670 795 H PHE 103 H PHE 103 0.756 -7.080 16.565 796 HA PHE 103 HA PHE 103 2.060 -8.243 18.859 797 HB2 PHE 103 1HB PHE 103 0.599 -9.563 16.560 798 HB3 PHE 103 2HB PHE 103 1.143 -10.388 18.015 799 HD1 PHE 103 HD1 PHE 103 0.284 -9.166 20.260 800 HD2 PHE 103 HD2 PHE 103 -1.607 -9.011 16.453 801 HE1 PHE 103 HE1 PHE 103 -1.865 -8.663 21.349 802 HE2 PHE 103 HE2 PHE 103 -3.754 -8.502 17.533 803 HZ PHE 103 HZ PHE 103 -3.884 -8.330 19.983 804 H GLY 104 H GLY 104 3.034 -7.525 15.707 805 HA2 GLY 104 1HA GLY 104 5.260 -7.934 14.933 806 HA3 GLY 104 2HA GLY 104 5.301 -9.388 15.921 807 H GLN 105 H GLN 105 2.355 -9.225 14.485 808 HA GLN 105 HA GLN 105 2.837 -11.375 12.691 809 HB2 GLN 105 1HB GLN 105 0.700 -10.980 13.893 810 HB3 GLN 105 2HB GLN 105 0.442 -9.535 12.937 811 HG2 GLN 105 1HG GLN 105 0.789 -12.137 11.539 812 HG3 GLN 105 2HG GLN 105 -0.736 -11.797 12.352 813 HE21 GLN 105 2HE2 GLN 105 -1.957 -9.968 11.662 814 HE22 GLN 105 1HE2 GLN 105 -1.783 -9.358 10.056 815 H LEU 106 H LEU 106 3.564 -11.278 10.653 816 HA LEU 106 HA LEU 106 3.625 -8.634 9.359 817 HB2 LEU 106 1HB LEU 106 5.814 -9.697 10.102 818 HB3 LEU 106 2HB LEU 106 5.537 -10.918 8.881 819 HG LEU 106 HG LEU 106 7.148 -9.105 8.240 820 HD11 LEU 106 1HD1 LEU 106 4.702 -9.348 6.501 821 HD12 LEU 106 2HD1 LEU 106 6.058 -10.476 6.543 822 HD13 LEU 106 3HD1 LEU 106 6.303 -8.824 5.976 823 HD21 LEU 106 3HD2 LEU 106 6.270 -6.937 7.587 824 HD22 LEU 106 1HD2 LEU 106 5.979 -7.239 9.300 825 HD23 LEU 106 2HD2 LEU 106 4.662 -7.407 8.138 826 H GLN 107 H GLN 107 2.228 -8.496 7.752 827 HA GLN 107 HA GLN 107 1.784 -10.848 6.033 828 HB2 GLN 107 1HB GLN 107 -0.257 -9.986 7.104 829 HB3 GLN 107 2HB GLN 107 0.060 -8.389 6.445 830 HG2 GLN 107 1HG GLN 107 -1.676 -9.583 5.200 831 HG3 GLN 107 2HG GLN 107 -0.277 -9.205 4.198 832 HE21 GLN 107 2HE2 GLN 107 -2.072 -11.731 5.772 833 HE22 GLN 107 1HE2 GLN 107 -1.332 -13.054 4.935 834 H GLN 108 H GLN 108 1.926 -10.551 3.755 835 HA GLN 108 HA GLN 108 3.201 -8.045 2.928 836 HB2 GLN 108 1HB GLN 108 4.840 -9.373 1.591 837 HB3 GLN 108 2HB GLN 108 5.042 -9.520 3.328 838 HG2 GLN 108 1HG GLN 108 5.095 -11.714 3.006 839 HG3 GLN 108 2HG GLN 108 3.363 -11.614 2.702 840 HE21 GLN 108 2HE2 GLN 108 2.617 -11.634 0.562 841 HE22 GLN 108 1HE2 GLN 108 3.615 -12.191 -0.742 842 H LEU 109 H LEU 109 2.592 -7.276 1.020 843 HA LEU 109 HA LEU 109 1.203 -9.068 -0.866 844 HB2 LEU 109 1HB LEU 109 0.509 -6.172 -0.333 845 HB3 LEU 109 2HB LEU 109 -0.286 -7.231 -1.479 846 HG LEU 109 HG LEU 109 -0.327 -7.588 1.523 847 HD11 LEU 109 1HD1 LEU 109 -2.651 -6.876 1.383 848 HD12 LEU 109 2HD1 LEU 109 -2.469 -6.588 -0.347 849 HD13 LEU 109 3HD1 LEU 109 -1.570 -5.607 0.809 850 HD21 LEU 109 3HD2 LEU 109 -1.845 -9.026 -0.652 851 HD22 LEU 109 1HD2 LEU 109 -2.068 -9.245 1.085 852 HD23 LEU 109 2HD2 LEU 109 -0.541 -9.703 0.326 853 H THR 110 H THR 110 2.473 -9.244 -2.597 854 HA THR 110 HA THR 110 4.406 -7.139 -3.179 855 HB THR 110 HB THR 110 4.118 -9.866 -4.461 856 HG1 THR 110 HG1 THR 110 6.110 -9.114 -2.567 857 HG21 THR 110 3HG2 THR 110 6.438 -9.484 -5.201 858 HG22 THR 110 1HG2 THR 110 6.381 -7.861 -4.517 859 HG23 THR 110 2HG2 THR 110 5.332 -8.286 -5.870 860 H PHE 111 H PHE 111 3.930 -5.602 -4.582 861 HA PHE 111 HA PHE 111 2.019 -6.189 -6.739 862 HB2 PHE 111 1HB PHE 111 2.991 -3.541 -5.638 863 HB3 PHE 111 2HB PHE 111 1.883 -3.716 -6.994 864 HD1 PHE 111 HD1 PHE 111 -0.356 -4.785 -6.604 865 HD2 PHE 111 HD2 PHE 111 2.219 -3.610 -3.427 866 HE1 PHE 111 HE1 PHE 111 -2.261 -4.834 -5.047 867 HE2 PHE 111 HE2 PHE 111 0.318 -3.657 -1.863 868 HZ PHE 111 HZ PHE 111 -1.927 -4.269 -2.675 869 H SER 112 H SER 112 2.863 -6.625 -8.662 870 HA SER 112 HA SER 112 5.447 -5.398 -9.361 871 HB2 SER 112 1HB SER 112 4.441 -8.123 -10.216 872 HB3 SER 112 2HB SER 112 6.020 -7.423 -10.581 873 HG SER 112 HG SER 112 5.454 -7.416 -7.914 874 H PHE 113 H PHE 113 5.129 -3.905 -10.865 875 HA PHE 113 HA PHE 113 2.977 -4.319 -12.837 876 HB2 PHE 113 1HB PHE 113 4.288 -1.724 -11.999 877 HB3 PHE 113 2HB PHE 113 2.927 -1.896 -13.099 878 HD1 PHE 113 HD1 PHE 113 0.731 -2.659 -12.217 879 HD2 PHE 113 HD2 PHE 113 3.988 -1.677 -9.663 880 HE1 PHE 113 HE1 PHE 113 -0.824 -2.432 -10.328 881 HE2 PHE 113 HE2 PHE 113 2.438 -1.453 -7.766 882 HZ PHE 113 HZ PHE 113 0.026 -1.831 -8.097 883 H ASN 114 H ASN 114 3.587 -4.721 -14.864 884 HA ASN 114 HA ASN 114 5.803 -3.254 -16.017 885 HB2 ASN 114 1HB ASN 114 6.904 -5.277 -15.101 886 HB3 ASN 114 2HB ASN 114 5.813 -6.283 -16.049 887 HD21 ASN 114 2HD2 ASN 114 7.480 -7.230 -17.189 888 HD22 ASN 114 1HD2 ASN 114 8.387 -6.383 -18.392 889 H ASN 115 H ASN 115 4.519 -2.315 -17.537 890 HA ASN 115 HA ASN 115 3.113 -4.158 -19.343 891 HB2 ASN 115 1HB ASN 115 1.333 -2.580 -19.670 892 HB3 ASN 115 2HB ASN 115 1.528 -2.826 -17.944 893 HD21 ASN 115 2HD2 ASN 115 2.502 -1.158 -16.703 894 HD22 ASN 115 1HD2 ASN 115 2.489 0.485 -17.259 895 H ASP 116 H ASP 116 3.736 -4.112 -21.355 896 HA ASP 116 HA ASP 116 6.016 -2.658 -22.128 897 HB2 ASP 116 1HB ASP 116 4.060 -4.175 -23.871 898 HB3 ASP 116 2HB ASP 116 5.693 -3.699 -24.324 899 H SER 117 H SER 117 6.224 -0.689 -22.895 900 HA SER 117 HA SER 117 4.024 0.512 -24.421 901 HB2 SER 117 1HB SER 117 5.483 1.923 -22.176 902 HB3 SER 117 2HB SER 117 4.191 2.594 -23.175 903 HG SER 117 HG SER 117 3.989 0.394 -21.381 904 H SER 118 H SER 118 4.828 2.737 -25.284 905 HA SER 118 HA SER 118 6.115 3.853 -26.733 906 HB2 SER 118 1HB SER 118 8.529 4.145 -26.111 907 HB3 SER 118 2HB SER 118 7.379 4.517 -24.833 908 HG SER 118 HG SER 118 8.055 1.936 -24.663 909 H LYS 119 H LYS 119 5.666 0.944 -27.273 910 HA LYS 119 HA LYS 119 8.006 0.337 -28.899 911 HB2 LYS 119 1HB LYS 119 6.997 -1.539 -27.719 912 HB3 LYS 119 2HB LYS 119 5.449 -1.226 -28.495 913 HG2 LYS 119 1HG LYS 119 6.446 -1.741 -30.679 914 HG3 LYS 119 2HG LYS 119 7.985 -2.076 -29.887 915 HD2 LYS 119 1HD LYS 119 7.026 -3.936 -28.697 916 HD3 LYS 119 2HD LYS 119 5.417 -3.546 -29.311 917 HE2 LYS 119 1HE LYS 119 6.404 -5.404 -30.547 918 HE3 LYS 119 2HE LYS 119 6.155 -4.002 -31.587 919 HZ1 LYS 119 3HZ LYS 119 8.294 -4.961 -32.031 920 HZ2 LYS 119 1HZ LYS 119 8.730 -4.889 -30.393 921 HZ3 LYS 119 2HZ LYS 119 8.527 -3.461 -31.278 922 H GLU 120 H GLU 120 7.922 1.997 -30.397 923 HA GLU 120 HA GLU 120 7.448 2.933 -32.414 924 HB2 GLU 120 1HB GLU 120 7.860 0.475 -32.954 925 HB3 GLU 120 2HB GLU 120 6.114 0.312 -33.073 926 HG2 GLU 120 1HG GLU 120 6.170 2.135 -34.800 927 HG3 GLU 120 2HG GLU 120 7.928 1.988 -34.781 928 H GLU 121 H GLU 121 5.639 3.752 -30.568 929 HA GLU 121 HA GLU 121 2.945 3.340 -31.458 930 HB2 GLU 121 1HB GLU 121 4.166 5.328 -29.541 931 HB3 GLU 121 2HB GLU 121 2.443 5.253 -29.891 932 HG2 GLU 121 1HG GLU 121 2.353 2.966 -29.076 933 HG3 GLU 121 2HG GLU 121 4.087 2.997 -28.763 934 H GLU 122 H GLU 122 5.488 5.609 -32.052 935 HA GLU 122 HA GLU 122 5.894 7.005 -33.776 936 HB2 GLU 122 1HB GLU 122 4.866 5.205 -35.150 937 HB3 GLU 122 2HB GLU 122 3.310 6.002 -34.974 938 HG2 GLU 122 1HG GLU 122 4.287 6.530 -37.116 939 HG3 GLU 122 2HG GLU 122 4.211 7.979 -36.115 940 H LEU 123 H LEU 123 2.350 7.143 -33.643 941 HA LEU 123 HA LEU 123 2.157 9.868 -34.155 942 HB2 LEU 123 1HB LEU 123 0.294 8.321 -34.405 943 HB3 LEU 123 2HB LEU 123 0.244 8.070 -32.672 944 HG LEU 123 HG LEU 123 -0.312 10.504 -32.414 945 HD11 LEU 123 1HD1 LEU 123 -0.660 10.355 -35.404 946 HD12 LEU 123 2HD1 LEU 123 0.548 11.305 -34.540 947 HD13 LEU 123 3HD1 LEU 123 -1.164 11.696 -34.375 948 HD21 LEU 123 3HD2 LEU 123 -2.659 10.232 -33.081 949 HD22 LEU 123 1HD2 LEU 123 -2.031 8.794 -32.275 950 HD23 LEU 123 2HD2 LEU 123 -2.214 8.812 -34.029 951 H GLU 124 H GLU 124 2.354 11.637 -32.984 952 HA GLU 124 HA GLU 124 3.362 11.661 -30.361 953 HB2 GLU 124 1HB GLU 124 3.607 13.488 -32.068 954 HB3 GLU 124 2HB GLU 124 1.922 13.900 -31.796 955 HG2 GLU 124 1HG GLU 124 2.431 14.411 -29.460 956 HG3 GLU 124 2HG GLU 124 4.125 14.012 -29.749 957 H HIS 125 H HIS 125 2.292 11.117 -28.580 958 HA HIS 125 HA HIS 125 -0.642 11.270 -28.657 959 HB2 HIS 125 1HB HIS 125 -0.437 9.453 -26.823 960 HB3 HIS 125 2HB HIS 125 -0.168 9.004 -28.501 961 HD1 HIS 125 HD1 HIS 125 2.289 8.457 -29.205 962 HD2 HIS 125 HD2 HIS 125 1.768 9.167 -25.140 963 HE1 HIS 125 HE1 HIS 125 4.370 7.595 -28.096 964 HE2 HIS 125 HE2 HIS 125 4.121 8.213 -25.666 965 H HIS 126 H HIS 126 -1.625 12.588 -27.370 966 HA HIS 126 HA HIS 126 -0.097 13.842 -25.179 967 HB2 HIS 126 1HB HIS 126 -2.472 14.858 -26.760 968 HB3 HIS 126 2HB HIS 126 -1.754 15.704 -25.397 969 HD1 HIS 126 HD1 HIS 126 -0.249 17.506 -26.096 970 HD2 HIS 126 HD2 HIS 126 -0.296 14.405 -28.869 971 HE1 HIS 126 HE1 HIS 126 1.253 18.248 -27.967 972 HE2 HIS 126 HE2 HIS 126 1.321 16.308 -29.571 973 H HIS 127 H HIS 127 -0.938 13.890 -23.113 974 HA HIS 127 HA HIS 127 -3.687 13.179 -22.614 975 HB2 HIS 127 1HB HIS 127 -2.522 10.960 -22.932 976 HB3 HIS 127 2HB HIS 127 -1.549 11.339 -21.514 977 HD1 HIS 127 HD1 HIS 127 -2.405 10.158 -19.523 978 HD2 HIS 127 HD2 HIS 127 -5.478 11.298 -22.090 979 HE1 HIS 127 HE1 HIS 127 -4.536 9.401 -18.415 980 HE2 HIS 127 HE2 HIS 127 -6.371 9.977 -20.047 981 H HIS 128 H HIS 128 -1.477 15.235 -22.047 982 HA HIS 128 HA HIS 128 -2.269 15.708 -19.297 983 HB2 HIS 128 1HB HIS 128 -0.186 14.270 -19.220 984 HB3 HIS 128 2HB HIS 128 0.672 15.599 -19.986 985 HD1 HIS 128 HD1 HIS 128 -0.746 14.467 -16.753 986 HD2 HIS 128 HD2 HIS 128 1.128 17.838 -18.310 987 HE1 HIS 128 HE1 HIS 128 -0.043 15.839 -14.762 988 HE2 HIS 128 HE2 HIS 128 1.174 17.830 -15.723 989 H HIS 129 H HIS 129 -3.327 17.501 -20.245 990 HA HIS 129 HA HIS 129 -1.800 19.880 -20.245 991 HB2 HIS 129 1HB HIS 129 -1.109 19.115 -22.480 992 HB3 HIS 129 2HB HIS 129 -2.794 18.991 -22.966 993 HD1 HIS 129 HD1 HIS 129 -3.436 20.875 -24.416 994 HD2 HIS 129 HD2 HIS 129 -0.666 22.025 -21.534 995 HE1 HIS 129 HE1 HIS 129 -3.042 23.332 -24.791 996 HE2 HIS 129 HE2 HIS 129 -1.524 24.044 -22.909 997 H HIS 130 H HIS 130 -4.537 19.157 -22.354 998 HA HIS 130 HA HIS 130 -6.664 19.858 -20.730 999 HB2 HIS 130 1HB HIS 130 -5.511 22.077 -20.573 1000 HB3 HIS 130 2HB HIS 130 -5.655 22.236 -22.320 1001 HD1 HIS 130 HD1 HIS 130 -7.548 22.604 -19.160 1002 HD2 HIS 130 HD2 HIS 130 -8.303 22.737 -23.246 1003 HE1 HIS 130 HE1 HIS 130 -9.818 23.645 -19.392 1004 HE2 HIS 130 HE2 HIS 130 -10.129 23.955 -21.874 Start of MODEL 10 1 H1 MET 1 1H MET 1 11.785 -9.266 36.164 2 H2 MET 1 2H MET 1 11.934 -9.747 34.545 3 H3 MET 1 3H MET 1 10.850 -10.552 35.571 4 HA MET 1 HA MET 1 9.502 -8.579 35.771 5 HB2 MET 1 1HB MET 1 11.521 -7.415 33.836 6 HB3 MET 1 2HB MET 1 9.995 -6.653 34.262 7 HG2 MET 1 1HG MET 1 10.726 -6.488 36.584 8 HG3 MET 1 2HG MET 1 12.253 -7.256 36.157 9 HE1 MET 1 3HE MET 1 13.324 -3.553 36.852 10 HE2 MET 1 1HE MET 1 13.594 -5.249 37.253 11 HE3 MET 1 2HE MET 1 12.075 -4.470 37.695 12 H ASN 2 H ASN 2 7.694 -8.983 34.673 13 HA ASN 2 HA ASN 2 7.978 -10.107 31.955 14 HB2 ASN 2 1HB ASN 2 5.899 -10.808 34.043 15 HB3 ASN 2 2HB ASN 2 5.944 -11.435 32.403 16 HD21 ASN 2 2HD2 ASN 2 5.995 -12.832 34.915 17 HD22 ASN 2 1HD2 ASN 2 7.451 -13.771 34.927 18 H ASP 3 H ASP 3 6.739 -9.231 30.378 19 HA ASP 3 HA ASP 3 5.023 -6.995 30.965 20 HB2 ASP 3 1HB ASP 3 4.686 -6.820 28.609 21 HB3 ASP 3 2HB ASP 3 6.368 -7.285 28.826 22 H ASP 4 H ASP 4 4.754 -10.388 30.475 23 HA ASP 4 HA ASP 4 3.143 -11.889 30.951 24 HB2 ASP 4 1HB ASP 4 2.694 -10.592 32.972 25 HB3 ASP 4 2HB ASP 4 1.630 -9.519 32.072 26 H VAL 5 H VAL 5 0.696 -9.450 30.497 27 HA VAL 5 HA VAL 5 -1.148 -9.494 29.144 28 HB VAL 5 HB VAL 5 0.946 -9.573 26.967 29 HG11 VAL 5 1HG1 VAL 5 -1.345 -9.758 26.159 30 HG12 VAL 5 2HG1 VAL 5 -0.656 -8.192 25.728 31 HG13 VAL 5 3HG1 VAL 5 -1.796 -8.315 27.069 32 HG21 VAL 5 3HG2 VAL 5 1.557 -7.927 28.673 33 HG22 VAL 5 1HG2 VAL 5 -0.042 -7.194 28.541 34 HG23 VAL 5 2HG2 VAL 5 1.067 -7.146 27.170 35 H ASP 6 H ASP 6 -1.600 -11.769 29.895 36 HA ASP 6 HA ASP 6 -1.139 -13.738 27.776 37 HB2 ASP 6 1HB ASP 6 -0.518 -14.428 30.059 38 HB3 ASP 6 2HB ASP 6 -2.182 -14.175 30.585 39 H ILE 7 H ILE 7 -2.624 -13.709 26.276 40 HA ILE 7 HA ILE 7 -5.437 -13.768 27.131 41 HB ILE 7 HB ILE 7 -5.007 -11.619 26.047 42 HG12 ILE 7 1HG1 ILE 7 -6.599 -13.462 24.248 43 HG13 ILE 7 2HG1 ILE 7 -7.199 -12.738 25.735 44 HG21 ILE 7 1HG2 ILE 7 -3.101 -12.254 24.672 45 HG22 ILE 7 2HG2 ILE 7 -4.351 -11.478 23.698 46 HG23 ILE 7 3HG2 ILE 7 -4.154 -13.229 23.648 47 HD11 ILE 7 3HD1 ILE 7 -6.333 -11.241 23.272 48 HD12 ILE 7 1HD1 ILE 7 -6.940 -10.519 24.762 49 HD13 ILE 7 2HD1 ILE 7 -7.996 -11.538 23.783 50 H GLN 8 H GLN 8 -2.949 -14.900 24.970 51 HA GLN 8 HA GLN 8 -2.660 -16.796 23.803 52 HB2 GLN 8 1HB GLN 8 -5.019 -17.647 25.456 53 HB3 GLN 8 2HB GLN 8 -4.276 -18.720 24.277 54 HG2 GLN 8 1HG GLN 8 -2.191 -18.669 25.435 55 HG3 GLN 8 2HG GLN 8 -2.762 -17.397 26.513 56 HE21 GLN 8 2HE2 GLN 8 -4.060 -17.909 28.223 57 HE22 GLN 8 1HE2 GLN 8 -4.361 -19.539 28.729 58 H GLN 9 H GLN 9 -6.192 -16.199 23.833 59 HA GLN 9 HA GLN 9 -6.191 -16.792 20.963 60 HB2 GLN 9 1HB GLN 9 -7.767 -18.051 22.398 61 HB3 GLN 9 2HB GLN 9 -8.536 -16.538 22.851 62 HG2 GLN 9 1HG GLN 9 -9.813 -17.711 21.146 63 HG3 GLN 9 2HG GLN 9 -9.210 -16.167 20.545 64 HE21 GLN 9 2HE2 GLN 9 -7.626 -16.142 18.948 65 HE22 GLN 9 1HE2 GLN 9 -7.194 -17.560 18.055 66 H SER 10 H SER 10 -5.492 -14.908 20.062 67 HA SER 10 HA SER 10 -7.240 -12.567 20.433 68 HB2 SER 10 1HB SER 10 -4.764 -12.215 20.736 69 HB3 SER 10 2HB SER 10 -4.537 -12.683 19.051 70 HG SER 10 HG SER 10 -4.789 -10.314 19.668 71 H TYR 11 H TYR 11 -6.944 -11.349 17.981 72 HA TYR 11 HA TYR 11 -7.775 -13.388 16.042 73 HB2 TYR 11 1HB TYR 11 -9.317 -10.893 16.751 74 HB3 TYR 11 2HB TYR 11 -9.589 -11.800 15.268 75 HD1 TYR 11 HD1 TYR 11 -10.334 -14.195 15.427 76 HD2 TYR 11 HD2 TYR 11 -10.276 -11.603 18.802 77 HE1 TYR 11 HE1 TYR 11 -11.849 -15.720 16.618 78 HE2 TYR 11 HE2 TYR 11 -11.792 -13.124 19.998 79 HH TYR 11 HH TYR 11 -12.539 -16.291 18.806 80 HA PRO 12 HA PRO 12 -4.624 -10.912 13.892 81 HB2 PRO 12 1HB PRO 12 -4.867 -13.254 12.095 82 HB3 PRO 12 2HB PRO 12 -3.422 -12.526 12.806 83 HG2 PRO 12 1HG PRO 12 -4.361 -14.866 13.691 84 HG3 PRO 12 2HG PRO 12 -3.671 -13.670 14.807 85 HD2 PRO 12 1HD PRO 12 -6.546 -14.313 14.256 86 HD3 PRO 12 2HD PRO 12 -5.745 -13.967 15.804 87 H PHE 13 H PHE 13 -4.944 -9.549 12.217 88 HA PHE 13 HA PHE 13 -7.619 -9.544 11.080 89 HB2 PHE 13 1HB PHE 13 -5.484 -7.434 10.748 90 HB3 PHE 13 2HB PHE 13 -7.224 -7.251 10.545 91 HD1 PHE 13 HD1 PHE 13 -8.695 -7.519 12.605 92 HD2 PHE 13 HD2 PHE 13 -4.476 -7.012 12.794 93 HE1 PHE 13 HE1 PHE 13 -8.891 -6.814 14.952 94 HE2 PHE 13 HE2 PHE 13 -4.662 -6.307 15.146 95 HZ PHE 13 HZ PHE 13 -6.874 -6.208 16.226 96 H SER 14 H SER 14 -8.088 -9.814 8.971 97 HA SER 14 HA SER 14 -5.874 -10.486 7.178 98 HB2 SER 14 1HB SER 14 -7.705 -11.359 5.688 99 HB3 SER 14 2HB SER 14 -7.604 -12.170 7.250 100 HG SER 14 HG SER 14 -9.395 -11.104 7.940 101 H ILE 15 H ILE 15 -5.344 -9.239 5.483 102 HA ILE 15 HA ILE 15 -6.945 -6.807 5.084 103 HB ILE 15 HB ILE 15 -3.995 -7.208 4.557 104 HG12 ILE 15 1HG1 ILE 15 -5.432 -5.623 6.701 105 HG13 ILE 15 2HG1 ILE 15 -4.581 -7.142 6.957 106 HG21 ILE 15 1HG2 ILE 15 -5.704 -4.728 4.351 107 HG22 ILE 15 2HG2 ILE 15 -5.012 -5.627 2.999 108 HG23 ILE 15 3HG2 ILE 15 -3.956 -4.794 4.141 109 HD11 ILE 15 3HD1 ILE 15 -3.241 -5.275 7.694 110 HD12 ILE 15 1HD1 ILE 15 -3.356 -4.534 6.097 111 HD13 ILE 15 2HD1 ILE 15 -2.486 -6.054 6.302 112 H GLU 16 H GLU 16 -8.146 -6.937 3.360 113 HA GLU 16 HA GLU 16 -7.234 -8.490 1.041 114 HB2 GLU 16 1HB GLU 16 -9.438 -9.065 2.024 115 HB3 GLU 16 2HB GLU 16 -9.983 -7.423 1.713 116 HG2 GLU 16 1HG GLU 16 -9.518 -7.850 -0.722 117 HG3 GLU 16 2HG GLU 16 -9.288 -9.544 -0.292 118 H THR 17 H THR 17 -6.294 -7.323 -0.499 119 HA THR 17 HA THR 17 -6.916 -4.491 -0.771 120 HB THR 17 HB THR 17 -5.069 -4.546 -2.476 121 HG1 THR 17 HG1 THR 17 -5.329 -6.856 -2.900 122 HG21 THR 17 3HG2 THR 17 -4.344 -5.644 0.247 123 HG22 THR 17 1HG2 THR 17 -4.627 -3.942 -0.130 124 HG23 THR 17 2HG2 THR 17 -3.262 -4.793 -0.855 125 H MET 18 H MET 18 -8.058 -3.633 -2.454 126 HA MET 18 HA MET 18 -9.565 -5.360 -4.141 127 HB2 MET 18 1HB MET 18 -9.123 -2.371 -4.327 128 HB3 MET 18 2HB MET 18 -10.294 -3.274 -5.279 129 HG2 MET 18 1HG MET 18 -11.206 -4.028 -2.976 130 HG3 MET 18 2HG MET 18 -10.310 -2.637 -2.363 131 HE1 MET 18 3HE MET 18 -13.486 -3.058 -2.059 132 HE2 MET 18 1HE MET 18 -14.039 -1.412 -2.362 133 HE3 MET 18 2HE MET 18 -12.599 -1.692 -1.382 134 HA PRO 19 HA PRO 19 -6.670 -6.474 -7.206 135 HB2 PRO 19 1HB PRO 19 -8.948 -6.016 -9.080 136 HB3 PRO 19 2HB PRO 19 -7.883 -7.418 -8.921 137 HG2 PRO 19 1HG PRO 19 -10.349 -7.493 -7.942 138 HG3 PRO 19 2HG PRO 19 -9.001 -8.217 -7.043 139 HD2 PRO 19 1HD PRO 19 -10.449 -5.657 -6.551 140 HD3 PRO 19 2HD PRO 19 -9.759 -6.805 -5.387 141 H VAL 20 H VAL 20 -5.177 -4.943 -7.521 142 HA VAL 20 HA VAL 20 -5.777 -2.385 -8.678 143 HB VAL 20 HB VAL 20 -3.358 -1.970 -8.540 144 HG11 VAL 20 1HG1 VAL 20 -3.125 -2.131 -6.107 145 HG12 VAL 20 2HG1 VAL 20 -4.497 -3.238 -6.053 146 HG13 VAL 20 3HG1 VAL 20 -4.730 -1.568 -6.573 147 HG21 VAL 20 3HG2 VAL 20 -1.859 -3.649 -7.564 148 HG22 VAL 20 1HG2 VAL 20 -2.538 -4.193 -9.098 149 HG23 VAL 20 2HG2 VAL 20 -3.174 -4.824 -7.579 150 HA PRO 21 HA PRO 21 -5.073 -3.272 -12.962 151 HB2 PRO 21 1HB PRO 21 -3.500 -0.785 -13.149 152 HB3 PRO 21 2HB PRO 21 -5.003 -1.225 -13.964 153 HG2 PRO 21 1HG PRO 21 -4.955 0.598 -12.002 154 HG3 PRO 21 2HG PRO 21 -6.321 -0.514 -12.204 155 HD2 PRO 21 1HD PRO 21 -4.056 -0.631 -10.251 156 HD3 PRO 21 2HD PRO 21 -5.778 -0.981 -9.998 157 H LYS 22 H LYS 22 -3.627 -4.540 -13.932 158 HA LYS 22 HA LYS 22 -0.938 -4.703 -12.858 159 HB2 LYS 22 1HB LYS 22 -2.267 -6.297 -15.057 160 HB3 LYS 22 2HB LYS 22 -0.690 -6.640 -14.358 161 HG2 LYS 22 1HG LYS 22 -1.794 -6.962 -12.161 162 HG3 LYS 22 2HG LYS 22 -3.351 -6.765 -12.967 163 HD2 LYS 22 1HD LYS 22 -2.774 -8.678 -14.439 164 HD3 LYS 22 2HD LYS 22 -1.295 -8.908 -13.502 165 HE2 LYS 22 1HE LYS 22 -4.131 -9.120 -12.499 166 HE3 LYS 22 2HE LYS 22 -2.993 -10.444 -12.734 167 HZ1 LYS 22 3HZ LYS 22 -1.568 -9.445 -11.020 168 HZ2 LYS 22 1HZ LYS 22 -3.103 -9.851 -10.418 169 HZ3 LYS 22 2HZ LYS 22 -2.735 -8.235 -10.763 170 H LYS 23 H LYS 23 -2.266 -2.646 -14.887 171 HA LYS 23 HA LYS 23 0.262 -2.123 -16.252 172 HB2 LYS 23 1HB LYS 23 -2.428 -2.237 -17.647 173 HB3 LYS 23 2HB LYS 23 -0.974 -1.552 -18.351 174 HG2 LYS 23 1HG LYS 23 -1.261 -4.425 -17.499 175 HG3 LYS 23 2HG LYS 23 -1.493 -3.833 -19.144 176 HD2 LYS 23 1HD LYS 23 1.053 -3.593 -17.540 177 HD3 LYS 23 2HD LYS 23 0.749 -4.790 -18.799 178 HE2 LYS 23 1HE LYS 23 0.811 -1.796 -19.170 179 HE3 LYS 23 2HE LYS 23 2.077 -2.924 -19.647 180 HZ1 LYS 23 3HZ LYS 23 0.441 -3.992 -21.137 181 HZ2 LYS 23 1HZ LYS 23 0.753 -2.376 -21.547 182 HZ3 LYS 23 2HZ LYS 23 -0.681 -2.783 -20.747 183 H LEU 24 H LEU 24 0.790 -0.021 -15.913 184 HA LEU 24 HA LEU 24 -1.337 1.977 -15.814 185 HB2 LEU 24 1HB LEU 24 -0.696 1.012 -13.453 186 HB3 LEU 24 2HB LEU 24 0.709 2.049 -13.627 187 HG LEU 24 HG LEU 24 -0.992 3.934 -14.088 188 HD11 LEU 24 1HD1 LEU 24 -2.925 2.448 -14.388 189 HD12 LEU 24 2HD1 LEU 24 -3.179 3.636 -13.108 190 HD13 LEU 24 3HD1 LEU 24 -2.793 1.966 -12.696 191 HD21 LEU 24 3HD2 LEU 24 0.334 3.886 -12.087 192 HD22 LEU 24 1HD2 LEU 24 -0.727 2.680 -11.364 193 HD23 LEU 24 2HD2 LEU 24 -1.324 4.310 -11.671 194 H LYS 25 H LYS 25 -0.738 3.806 -16.815 195 HA LYS 25 HA LYS 25 1.894 3.942 -17.980 196 HB2 LYS 25 1HB LYS 25 -0.501 5.771 -18.123 197 HB3 LYS 25 2HB LYS 25 1.011 6.108 -18.949 198 HG2 LYS 25 1HG LYS 25 0.779 4.103 -20.271 199 HG3 LYS 25 2HG LYS 25 -0.678 3.658 -19.380 200 HD2 LYS 25 1HD LYS 25 -1.840 5.600 -20.222 201 HD3 LYS 25 2HD LYS 25 -0.374 6.177 -21.016 202 HE2 LYS 25 1HE LYS 25 -1.748 3.570 -21.645 203 HE3 LYS 25 2HE LYS 25 -1.996 5.069 -22.541 204 HZ1 LYS 25 3HZ LYS 25 0.663 3.796 -22.205 205 HZ2 LYS 25 1HZ LYS 25 0.255 5.073 -23.242 206 HZ3 LYS 25 2HZ LYS 25 -0.348 3.511 -23.536 207 H VAL 26 H VAL 26 3.107 6.010 -17.971 208 HA VAL 26 HA VAL 26 3.772 6.823 -15.340 209 HB VAL 26 HB VAL 26 4.496 8.165 -17.953 210 HG11 VAL 26 1HG1 VAL 26 4.884 9.551 -15.965 211 HG12 VAL 26 2HG1 VAL 26 6.390 9.078 -16.753 212 HG13 VAL 26 3HG1 VAL 26 5.875 8.266 -15.276 213 HG21 VAL 26 3HG2 VAL 26 5.143 5.833 -18.009 214 HG22 VAL 26 1HG2 VAL 26 5.924 5.986 -16.436 215 HG23 VAL 26 2HG2 VAL 26 6.572 6.849 -17.829 216 H GLY 27 H GLY 27 2.652 8.170 -14.114 217 HA2 GLY 27 1HA GLY 27 1.918 10.450 -13.766 218 HA3 GLY 27 2HA GLY 27 1.290 10.445 -15.407 219 H GLU 28 H GLU 28 0.302 7.593 -14.786 220 HA GLU 28 HA GLU 28 -2.331 8.409 -14.025 221 HB2 GLU 28 1HB GLU 28 -1.209 5.622 -14.357 222 HB3 GLU 28 2HB GLU 28 -2.912 6.025 -14.190 223 HG2 GLU 28 1HG GLU 28 -2.540 7.480 -16.282 224 HG3 GLU 28 2HG GLU 28 -1.069 6.527 -16.484 225 H THR 29 H THR 29 -3.407 8.104 -12.138 226 HA THR 29 HA THR 29 -1.789 7.158 -9.869 227 HB THR 29 HB THR 29 -3.987 9.233 -9.786 228 HG1 THR 29 HG1 THR 29 -1.800 9.694 -10.854 229 HG21 THR 29 3HG2 THR 29 -3.138 9.677 -7.527 230 HG22 THR 29 1HG2 THR 29 -1.960 8.377 -7.711 231 HG23 THR 29 2HG2 THR 29 -3.684 8.009 -7.684 232 H ALA 30 H ALA 30 -2.496 5.324 -9.058 233 HA ALA 30 HA ALA 30 -5.336 4.606 -9.383 234 HB1 ALA 30 3HB ALA 30 -4.591 2.279 -9.159 235 HB2 ALA 30 1HB ALA 30 -2.927 2.838 -8.964 236 HB3 ALA 30 2HB ALA 30 -3.770 3.096 -10.490 237 H GLU 31 H GLU 31 -6.561 4.534 -7.588 238 HA GLU 31 HA GLU 31 -5.264 4.797 -5.013 239 HB2 GLU 31 1HB GLU 31 -7.641 4.923 -4.149 240 HB3 GLU 31 2HB GLU 31 -7.135 6.210 -5.231 241 HG2 GLU 31 1HG GLU 31 -8.341 5.194 -7.060 242 HG3 GLU 31 2HG GLU 31 -8.771 3.818 -6.044 243 H ILE 32 H ILE 32 -4.398 3.016 -4.282 244 HA ILE 32 HA ILE 32 -5.570 0.422 -4.654 245 HB ILE 32 HB ILE 32 -3.315 1.227 -2.803 246 HG12 ILE 32 1HG1 ILE 32 -3.193 0.154 -5.632 247 HG13 ILE 32 2HG1 ILE 32 -2.858 1.817 -5.162 248 HG21 ILE 32 1HG2 ILE 32 -4.255 -0.923 -2.217 249 HG22 ILE 32 2HG2 ILE 32 -2.677 -1.155 -2.974 250 HG23 ILE 32 3HG2 ILE 32 -4.149 -1.458 -3.896 251 HD11 ILE 32 3HD1 ILE 32 -0.812 0.547 -5.533 252 HD12 ILE 32 1HD1 ILE 32 -1.294 -0.602 -4.283 253 HD13 ILE 32 2HD1 ILE 32 -0.948 1.075 -3.855 254 H ARG 33 H ARG 33 -7.494 0.218 -3.681 255 HA ARG 33 HA ARG 33 -7.947 1.214 -1.011 256 HB2 ARG 33 1HB ARG 33 -9.702 -0.377 -2.885 257 HB3 ARG 33 2HB ARG 33 -10.216 0.230 -1.317 258 HG2 ARG 33 1HG ARG 33 -9.812 2.520 -2.070 259 HG3 ARG 33 2HG ARG 33 -9.309 1.908 -3.644 260 HD2 ARG 33 1HD ARG 33 -12.013 1.400 -2.432 261 HD3 ARG 33 2HD ARG 33 -11.673 2.735 -3.535 262 HE ARG 33 HE ARG 33 -11.564 -0.132 -4.219 263 HH11 ARG 33 1HH1 ARG 33 -11.719 3.231 -5.222 264 HH12 ARG 33 2HH1 ARG 33 -12.208 2.841 -6.839 265 HH21 ARG 33 1HH2 ARG 33 -12.167 -0.626 -6.377 266 HH22 ARG 33 2HH2 ARG 33 -12.449 0.675 -7.497 267 H CYS 34 H CYS 34 -7.372 0.153 0.716 268 HA CYS 34 HA CYS 34 -7.065 -2.770 0.554 269 HB2 CYS 34 1HB CYS 34 -5.723 -0.855 2.472 270 HB3 CYS 34 2HB CYS 34 -5.394 -2.575 2.302 271 HG CYS 34 HG CYS 34 -4.803 -0.270 -0.159 272 H GLN 35 H GLN 35 -8.254 -4.013 1.873 273 HA GLN 35 HA GLN 35 -9.955 -2.632 3.846 274 HB2 GLN 35 1HB GLN 35 -11.040 -3.807 1.871 275 HB3 GLN 35 2HB GLN 35 -10.452 -5.319 2.550 276 HG2 GLN 35 1HG GLN 35 -12.628 -5.206 3.300 277 HG3 GLN 35 2HG GLN 35 -11.702 -4.609 4.677 278 HE21 GLN 35 2HE2 GLN 35 -14.471 -4.146 4.006 279 HE22 GLN 35 1HE2 GLN 35 -14.660 -2.429 3.860 280 H LEU 36 H LEU 36 -9.086 -2.883 5.832 281 HA LEU 36 HA LEU 36 -7.923 -5.473 6.544 282 HB2 LEU 36 1HB LEU 36 -6.675 -3.407 7.107 283 HB3 LEU 36 2HB LEU 36 -8.017 -2.879 8.100 284 HG LEU 36 HG LEU 36 -6.697 -5.488 8.742 285 HD11 LEU 36 1HD1 LEU 36 -5.088 -4.302 10.166 286 HD12 LEU 36 2HD1 LEU 36 -5.631 -2.768 9.485 287 HD13 LEU 36 3HD1 LEU 36 -4.833 -3.956 8.456 288 HD21 LEU 36 3HD2 LEU 36 -7.291 -4.820 11.024 289 HD22 LEU 36 1HD2 LEU 36 -8.702 -4.827 9.965 290 HD23 LEU 36 2HD2 LEU 36 -7.940 -3.300 10.407 291 H HIS 37 H HIS 37 -9.137 -6.946 7.506 292 HA HIS 37 HA HIS 37 -11.758 -6.215 8.518 293 HB2 HIS 37 1HB HIS 37 -10.414 -8.925 8.383 294 HB3 HIS 37 2HB HIS 37 -12.097 -8.636 8.815 295 HD1 HIS 37 HD1 HIS 37 -10.272 -9.828 6.115 296 HD2 HIS 37 HD2 HIS 37 -13.306 -7.004 6.453 297 HE1 HIS 37 HE1 HIS 37 -11.271 -9.629 3.818 298 HE2 HIS 37 HE2 HIS 37 -13.272 -8.134 4.124 299 H ARG 38 H ARG 38 -11.669 -5.230 10.438 300 HA ARG 38 HA ARG 38 -9.793 -6.213 12.450 301 HB2 ARG 38 1HB ARG 38 -9.798 -3.817 12.130 302 HB3 ARG 38 2HB ARG 38 -11.540 -3.749 12.367 303 HG2 ARG 38 1HG ARG 38 -11.286 -4.397 14.683 304 HG3 ARG 38 2HG ARG 38 -9.545 -4.581 14.465 305 HD2 ARG 38 1HD ARG 38 -10.124 -2.458 15.549 306 HD3 ARG 38 2HD ARG 38 -9.326 -2.215 13.997 307 HE ARG 38 HE ARG 38 -11.566 -1.748 13.073 308 HH11 ARG 38 1HH1 ARG 38 -11.131 -1.558 16.532 309 HH12 ARG 38 2HH1 ARG 38 -12.366 -0.363 16.763 310 HH21 ARG 38 1HH2 ARG 38 -13.198 -0.179 13.339 311 HH22 ARG 38 2HH2 ARG 38 -13.561 0.421 14.934 312 H ASP 39 H ASP 39 -10.560 -7.936 13.474 313 HA ASP 39 HA ASP 39 -13.311 -7.841 14.506 314 HB2 ASP 39 1HB ASP 39 -12.613 -9.865 13.197 315 HB3 ASP 39 2HB ASP 39 -11.419 -10.196 14.450 316 H GLY 40 H GLY 40 -9.945 -8.119 15.401 317 HA2 GLY 40 1HA GLY 40 -10.545 -8.491 18.204 318 HA3 GLY 40 2HA GLY 40 -8.948 -8.353 17.485 319 H ARG 41 H ARG 41 -11.435 -6.763 19.156 320 HA ARG 41 HA ARG 41 -10.773 -4.077 18.849 321 HB2 ARG 41 1HB ARG 41 -11.480 -3.968 21.352 322 HB3 ARG 41 2HB ARG 41 -12.666 -4.462 20.152 323 HG2 ARG 41 1HG ARG 41 -12.002 -6.851 20.709 324 HG3 ARG 41 2HG ARG 41 -11.170 -6.173 22.108 325 HD2 ARG 41 1HD ARG 41 -13.178 -5.357 23.034 326 HD3 ARG 41 2HD ARG 41 -14.060 -5.597 21.526 327 HE ARG 41 HE ARG 41 -13.012 -7.880 23.075 328 HH11 ARG 41 1HH1 ARG 41 -15.644 -6.206 21.491 329 HH12 ARG 41 2HH1 ARG 41 -16.769 -7.513 21.687 330 HH21 ARG 41 1HH2 ARG 41 -14.458 -9.622 23.291 331 HH22 ARG 41 2HH2 ARG 41 -16.079 -9.483 22.675 332 H PHE 42 H PHE 42 -8.960 -2.971 19.230 333 HA PHE 42 HA PHE 42 -6.788 -4.456 20.546 334 HB2 PHE 42 1HB PHE 42 -5.264 -3.348 18.995 335 HB3 PHE 42 2HB PHE 42 -6.526 -4.200 18.115 336 HD1 PHE 42 HD1 PHE 42 -8.251 -2.968 16.914 337 HD2 PHE 42 HD2 PHE 42 -5.117 -0.945 18.958 338 HE1 PHE 42 HE1 PHE 42 -8.781 -0.906 15.684 339 HE2 PHE 42 HE2 PHE 42 -5.644 1.120 17.734 340 HZ PHE 42 HZ PHE 42 -7.480 1.143 16.095 341 H GLU 43 H GLU 43 -5.181 -3.312 21.669 342 HA GLU 43 HA GLU 43 -5.890 -0.559 22.445 343 HB2 GLU 43 1HB GLU 43 -4.386 -2.665 24.017 344 HB3 GLU 43 2HB GLU 43 -4.590 -0.995 24.528 345 HG2 GLU 43 1HG GLU 43 -7.020 -1.318 24.575 346 HG3 GLU 43 2HG GLU 43 -6.788 -3.003 24.104 347 H GLU 44 H GLU 44 -3.012 -2.650 22.488 348 HA GLU 44 HA GLU 44 -1.371 -0.402 21.599 349 HB2 GLU 44 1HB GLU 44 0.513 -1.659 22.325 350 HB3 GLU 44 2HB GLU 44 -0.719 -1.869 23.560 351 HG2 GLU 44 1HG GLU 44 -0.126 -3.859 21.377 352 HG3 GLU 44 2HG GLU 44 0.518 -3.939 23.014 353 H THR 45 H THR 45 -2.914 -3.143 20.419 354 HA THR 45 HA THR 45 -1.187 -3.900 18.311 355 HB THR 45 HB THR 45 -4.183 -4.279 18.495 356 HG1 THR 45 HG1 THR 45 -2.617 -5.060 20.298 357 HG21 THR 45 3HG2 THR 45 -3.271 -4.825 16.299 358 HG22 THR 45 1HG2 THR 45 -3.765 -6.290 17.146 359 HG23 THR 45 2HG2 THR 45 -2.058 -5.864 17.048 360 H LYS 46 H LYS 46 -0.666 -1.743 17.491 361 HA LYS 46 HA LYS 46 -2.771 -0.562 15.822 362 HB2 LYS 46 1HB LYS 46 -0.138 0.587 16.757 363 HB3 LYS 46 2HB LYS 46 -1.264 1.413 15.690 364 HG2 LYS 46 1HG LYS 46 -2.974 1.308 17.472 365 HG3 LYS 46 2HG LYS 46 -1.773 0.581 18.539 366 HD2 LYS 46 1HD LYS 46 -0.375 2.578 18.325 367 HD3 LYS 46 2HD LYS 46 -1.572 3.300 17.249 368 HE2 LYS 46 1HE LYS 46 -1.845 4.188 19.481 369 HE3 LYS 46 2HE LYS 46 -3.235 3.188 19.061 370 HZ1 LYS 46 3HZ LYS 46 -2.333 1.400 20.376 371 HZ2 LYS 46 1HZ LYS 46 -2.442 2.795 21.328 372 HZ3 LYS 46 2HZ LYS 46 -0.938 2.295 20.725 373 H TYR 47 H TYR 47 -2.213 0.106 13.656 374 HA TYR 47 HA TYR 47 -0.608 -2.013 12.436 375 HB2 TYR 47 1HB TYR 47 -2.543 -0.216 10.988 376 HB3 TYR 47 2HB TYR 47 -1.989 -1.825 10.535 377 HD1 TYR 47 HD1 TYR 47 -2.579 -3.702 12.358 378 HD2 TYR 47 HD2 TYR 47 -4.665 -0.026 11.848 379 HE1 TYR 47 HE1 TYR 47 -4.555 -4.675 13.446 380 HE2 TYR 47 HE2 TYR 47 -6.643 -0.991 12.938 381 HH TYR 47 HH TYR 47 -6.538 -3.909 14.664 382 H PHE 48 H PHE 48 1.105 -1.622 11.174 383 HA PHE 48 HA PHE 48 1.726 1.184 10.518 384 HB2 PHE 48 1HB PHE 48 3.690 -0.998 11.260 385 HB3 PHE 48 2HB PHE 48 4.109 0.647 10.800 386 HD1 PHE 48 HD2 PHE 48 3.422 2.539 12.285 387 HD2 PHE 48 HD1 PHE 48 3.103 -1.537 13.469 388 HE1 PHE 48 HE2 PHE 48 3.256 3.238 14.640 389 HE2 PHE 48 HE1 PHE 48 2.935 -0.847 15.825 390 HZ PHE 48 HZ PHE 48 3.009 1.544 16.410 391 H ILE 49 H ILE 49 2.579 1.570 8.488 392 HA ILE 49 HA ILE 49 2.350 -0.708 6.643 393 HB ILE 49 HB ILE 49 0.684 1.034 6.261 394 HG12 ILE 49 1HG1 ILE 49 2.763 1.038 4.068 395 HG13 ILE 49 2HG1 ILE 49 1.613 -0.265 4.354 396 HG21 ILE 49 1HG2 ILE 49 3.021 2.875 5.770 397 HG22 ILE 49 2HG2 ILE 49 1.893 2.961 7.122 398 HG23 ILE 49 3HG2 ILE 49 1.328 3.268 5.481 399 HD11 ILE 49 3HD1 ILE 49 0.844 1.138 2.560 400 HD12 ILE 49 1HD1 ILE 49 0.957 2.567 3.587 401 HD13 ILE 49 2HD1 ILE 49 -0.227 1.313 3.950 402 H ARG 50 H ARG 50 4.024 -1.318 5.505 403 HA ARG 50 HA ARG 50 6.409 0.410 5.394 404 HB2 ARG 50 1HB ARG 50 6.661 -1.448 7.033 405 HB3 ARG 50 2HB ARG 50 6.330 -2.601 5.751 406 HG2 ARG 50 1HG ARG 50 8.692 -2.523 6.142 407 HG3 ARG 50 2HG ARG 50 8.351 -1.805 4.565 408 HD2 ARG 50 1HD ARG 50 8.460 0.434 5.606 409 HD3 ARG 50 2HD ARG 50 8.900 -0.324 7.136 410 HE ARG 50 HE ARG 50 10.839 -1.267 5.688 411 HH11 ARG 50 1HH1 ARG 50 9.432 1.922 5.512 412 HH12 ARG 50 2HH1 ARG 50 10.875 2.668 4.916 413 HH21 ARG 50 1HH2 ARG 50 12.759 -0.290 4.883 414 HH22 ARG 50 2HH2 ARG 50 12.761 1.415 4.552 415 H TYR 51 H TYR 51 7.474 0.446 3.426 416 HA TYR 51 HA TYR 51 6.370 -1.238 1.292 417 HB2 TYR 51 1HB TYR 51 6.417 1.704 1.470 418 HB3 TYR 51 2HB TYR 51 6.992 1.047 -0.057 419 HD1 TYR 51 HD2 TYR 51 4.089 1.364 2.173 420 HD2 TYR 51 HD1 TYR 51 5.502 -0.061 -1.575 421 HE1 TYR 51 HE2 TYR 51 1.768 1.072 1.414 422 HE2 TYR 51 HE1 TYR 51 3.187 -0.354 -2.345 423 HH TYR 51 HH TYR 51 0.524 0.951 -0.716 424 H PHE 52 H PHE 52 7.762 -1.834 -0.325 425 HA PHE 52 HA PHE 52 10.472 -0.742 -0.313 426 HB2 PHE 52 1HB PHE 52 10.552 -2.839 1.009 427 HB3 PHE 52 2HB PHE 52 9.875 -3.714 -0.361 428 HD1 PHE 52 HD1 PHE 52 12.770 -1.616 0.642 429 HD2 PHE 52 HD2 PHE 52 11.281 -4.620 -1.979 430 HE1 PHE 52 HE1 PHE 52 15.038 -1.966 -0.240 431 HE2 PHE 52 HE2 PHE 52 13.549 -4.976 -2.863 432 HZ PHE 52 HZ PHE 52 15.430 -3.648 -1.993 433 H GLN 53 H GLN 53 11.064 -0.217 -2.329 434 HA GLN 53 HA GLN 53 9.550 -1.419 -4.552 435 HB2 GLN 53 1HB GLN 53 10.494 1.435 -4.249 436 HB3 GLN 53 2HB GLN 53 9.787 0.771 -5.715 437 HG2 GLN 53 1HG GLN 53 7.691 0.418 -4.621 438 HG3 GLN 53 2HG GLN 53 8.380 0.857 -3.058 439 HE21 GLN 53 2HE2 GLN 53 7.247 2.037 -6.135 440 HE22 GLN 53 1HE2 GLN 53 7.180 3.705 -5.682 441 HA PRO 54 HA PRO 54 13.806 -2.663 -5.699 442 HB2 PRO 54 1HB PRO 54 12.100 -3.909 -7.800 443 HB3 PRO 54 2HB PRO 54 13.424 -4.609 -6.863 444 HG2 PRO 54 1HG PRO 54 10.891 -5.219 -6.311 445 HG3 PRO 54 2HG PRO 54 12.088 -5.011 -5.018 446 HD2 PRO 54 1HD PRO 54 9.908 -3.176 -5.900 447 HD3 PRO 54 2HD PRO 54 10.547 -3.475 -4.270 448 H ASP 55 H ASP 55 11.151 -1.440 -7.686 449 HA ASP 55 HA ASP 55 12.983 -0.252 -9.598 450 HB2 ASP 55 1HB ASP 55 10.858 -1.137 -10.426 451 HB3 ASP 55 2HB ASP 55 9.977 -0.041 -9.365 452 H GLY 56 H GLY 56 10.207 1.386 -8.222 453 HA2 GLY 56 1HA GLY 56 10.398 2.844 -6.284 454 HA3 GLY 56 2HA GLY 56 12.034 3.214 -6.798 455 H ALA 57 H ALA 57 10.330 3.220 -9.592 456 HA ALA 57 HA ALA 57 10.295 6.111 -9.603 457 HB1 ALA 57 3HB ALA 57 9.583 4.159 -11.786 458 HB2 ALA 57 1HB ALA 57 11.165 4.895 -11.531 459 HB3 ALA 57 2HB ALA 57 9.786 5.901 -11.979 460 H GLY 58 H GLY 58 8.628 6.851 -8.370 461 HA2 GLY 58 1HA GLY 58 6.157 7.237 -9.495 462 HA3 GLY 58 2HA GLY 58 5.987 5.774 -8.536 463 H THR 59 H THR 59 4.424 7.806 -7.891 464 HA THR 59 HA THR 59 5.592 8.819 -5.378 465 HB THR 59 HB THR 59 3.419 10.204 -6.963 466 HG1 THR 59 HG1 THR 59 6.212 10.320 -7.175 467 HG21 THR 59 3HG2 THR 59 3.965 12.115 -5.541 468 HG22 THR 59 1HG2 THR 59 5.213 11.170 -4.727 469 HG23 THR 59 2HG2 THR 59 3.516 10.722 -4.558 470 H LEU 60 H LEU 60 4.590 8.013 -3.639 471 HA LEU 60 HA LEU 60 1.848 6.990 -3.962 472 HB2 LEU 60 1HB LEU 60 3.452 5.158 -3.863 473 HB3 LEU 60 2HB LEU 60 4.131 5.805 -2.384 474 HG LEU 60 HG LEU 60 1.957 5.396 -1.250 475 HD11 LEU 60 1HD1 LEU 60 1.253 3.967 -3.812 476 HD12 LEU 60 2HD1 LEU 60 0.510 5.452 -3.217 477 HD13 LEU 60 3HD1 LEU 60 0.318 3.949 -2.316 478 HD21 LEU 60 3HD2 LEU 60 2.226 2.958 -1.129 479 HD22 LEU 60 1HD2 LEU 60 3.768 3.809 -1.048 480 HD23 LEU 60 2HD2 LEU 60 3.276 3.019 -2.545 481 H LYS 61 H LYS 61 0.425 7.928 -2.650 482 HA LYS 61 HA LYS 61 1.389 8.931 -0.053 483 HB2 LYS 61 1HB LYS 61 -0.730 10.294 -1.718 484 HB3 LYS 61 2HB LYS 61 -0.041 10.864 -0.207 485 HG2 LYS 61 1HG LYS 61 2.190 10.912 -1.478 486 HG3 LYS 61 2HG LYS 61 1.193 10.798 -2.931 487 HD2 LYS 61 1HD LYS 61 -0.108 12.777 -2.000 488 HD3 LYS 61 2HD LYS 61 1.216 12.965 -0.850 489 HE2 LYS 61 1HE LYS 61 1.798 14.408 -2.580 490 HE3 LYS 61 2HE LYS 61 2.735 12.955 -2.929 491 HZ1 LYS 61 3HZ LYS 61 0.170 13.749 -4.200 492 HZ2 LYS 61 1HZ LYS 61 0.988 12.293 -4.506 493 HZ3 LYS 61 2HZ LYS 61 1.704 13.772 -4.929 494 H MET 62 H MET 62 0.034 8.707 1.669 495 HA MET 62 HA MET 62 -2.037 6.729 1.511 496 HB2 MET 62 1HB MET 62 -0.505 7.060 3.481 497 HB3 MET 62 2HB MET 62 -1.327 8.577 3.808 498 HG2 MET 62 1HG MET 62 -3.433 7.331 4.119 499 HG3 MET 62 2HG MET 62 -2.546 5.827 3.879 500 HE1 MET 62 3HE MET 62 0.205 6.515 5.332 501 HE2 MET 62 1HE MET 62 -0.623 4.972 5.548 502 HE3 MET 62 2HE MET 62 -0.092 5.893 6.956 503 H SER 63 H SER 63 -4.262 7.155 2.286 504 HA SER 63 HA SER 63 -5.643 9.052 0.883 505 HB2 SER 63 1HB SER 63 -6.582 7.048 2.056 506 HB3 SER 63 2HB SER 63 -6.486 7.950 3.569 507 HG SER 63 HG SER 63 -7.741 9.557 1.989 508 H ASP 64 H ASP 64 -4.076 9.464 3.999 509 HA ASP 64 HA ASP 64 -5.439 11.977 4.505 510 HB2 ASP 64 1HB ASP 64 -3.275 10.562 6.075 511 HB3 ASP 64 2HB ASP 64 -4.124 12.013 6.599 512 H GLY 65 H GLY 65 -3.087 11.246 2.446 513 HA2 GLY 65 1HA GLY 65 -1.915 12.902 1.234 514 HA3 GLY 65 2HA GLY 65 -1.971 13.945 2.646 515 H THR 66 H THR 66 -1.089 11.415 4.191 516 HA THR 66 HA THR 66 1.603 12.051 4.479 517 HB THR 66 HB THR 66 0.398 9.337 5.039 518 HG1 THR 66 HG1 THR 66 0.391 11.545 6.833 519 HG21 THR 66 3HG2 THR 66 2.830 9.539 5.354 520 HG22 THR 66 1HG2 THR 66 1.991 9.296 6.886 521 HG23 THR 66 2HG2 THR 66 2.569 10.902 6.442 522 H VAL 67 H VAL 67 3.194 11.812 3.031 523 HA VAL 67 HA VAL 67 2.959 10.065 0.778 524 HB VAL 67 HB VAL 67 5.408 11.541 1.764 525 HG11 VAL 67 1HG1 VAL 67 5.944 9.768 0.180 526 HG12 VAL 67 2HG1 VAL 67 6.180 11.355 -0.552 527 HG13 VAL 67 3HG1 VAL 67 4.751 10.404 -0.952 528 HG21 VAL 67 3HG2 VAL 67 3.541 13.065 1.381 529 HG22 VAL 67 1HG2 VAL 67 3.319 12.398 -0.235 530 HG23 VAL 67 2HG2 VAL 67 4.795 13.281 0.157 531 H LEU 68 H LEU 68 3.776 8.068 0.468 532 HA LEU 68 HA LEU 68 4.950 6.779 2.826 533 HB2 LEU 68 1HB LEU 68 3.643 5.541 0.403 534 HB3 LEU 68 2HB LEU 68 4.214 4.676 1.815 535 HG LEU 68 HG LEU 68 1.981 6.702 1.825 536 HD11 LEU 68 1HD1 LEU 68 1.368 4.683 0.608 537 HD12 LEU 68 2HD1 LEU 68 0.510 4.786 2.144 538 HD13 LEU 68 3HD1 LEU 68 1.884 3.695 1.973 539 HD21 LEU 68 3HD2 LEU 68 1.561 5.878 4.090 540 HD22 LEU 68 1HD2 LEU 68 3.167 6.596 3.950 541 HD23 LEU 68 2HD2 LEU 68 2.983 4.841 3.975 542 H LEU 69 H LEU 69 7.105 7.004 2.685 543 HA LEU 69 HA LEU 69 8.417 6.299 0.159 544 HB2 LEU 69 1HB LEU 69 9.513 7.735 2.581 545 HB3 LEU 69 2HB LEU 69 10.418 7.379 1.124 546 HG LEU 69 HG LEU 69 7.998 9.181 1.255 547 HD11 LEU 69 1HD1 LEU 69 9.907 10.146 2.419 548 HD12 LEU 69 2HD1 LEU 69 9.604 10.996 0.904 549 HD13 LEU 69 3HD1 LEU 69 10.931 9.840 1.018 550 HD21 LEU 69 3HD2 LEU 69 9.942 8.637 -0.988 551 HD22 LEU 69 1HD2 LEU 69 8.606 9.790 -1.024 552 HD23 LEU 69 2HD2 LEU 69 8.277 8.061 -0.909 553 HA PRO 70 HA PRO 70 9.635 2.460 1.926 554 HB2 PRO 70 1HB PRO 70 11.906 2.336 0.114 555 HB3 PRO 70 2HB PRO 70 10.405 1.411 0.078 556 HG2 PRO 70 1HG PRO 70 11.033 3.293 -1.774 557 HG3 PRO 70 2HG PRO 70 9.365 2.903 -1.312 558 HD2 PRO 70 1HD PRO 70 11.087 5.196 -0.451 559 HD3 PRO 70 2HD PRO 70 9.359 5.176 -0.867 560 H ASN 71 H ASN 71 10.938 4.987 3.029 561 HA ASN 71 HA ASN 71 13.439 3.733 3.945 562 HB2 ASN 71 1HB ASN 71 13.633 5.947 2.763 563 HB3 ASN 71 2HB ASN 71 12.728 6.671 4.088 564 HD21 ASN 71 2HD2 ASN 71 15.438 7.201 3.156 565 HD22 ASN 71 1HD2 ASN 71 16.466 6.950 4.529 566 H ASP 72 H ASP 72 10.696 5.727 5.068 567 HA ASP 72 HA ASP 72 11.330 4.910 7.820 568 HB2 ASP 72 1HB ASP 72 9.562 7.126 6.776 569 HB3 ASP 72 2HB ASP 72 9.696 6.700 8.477 570 H LEU 73 H LEU 73 9.272 4.810 9.238 571 HA LEU 73 HA LEU 73 7.371 2.978 7.932 572 HB2 LEU 73 1HB LEU 73 8.783 1.948 9.665 573 HB3 LEU 73 2HB LEU 73 8.226 3.135 10.828 574 HG LEU 73 HG LEU 73 5.917 2.226 10.568 575 HD11 LEU 73 1HD1 LEU 73 6.180 1.252 8.340 576 HD12 LEU 73 2HD1 LEU 73 5.634 0.051 9.509 577 HD13 LEU 73 3HD1 LEU 73 7.320 0.073 8.990 578 HD21 LEU 73 3HD2 LEU 73 8.052 0.279 11.427 579 HD22 LEU 73 1HD2 LEU 73 6.346 0.194 11.869 580 HD23 LEU 73 2HD2 LEU 73 7.335 1.547 12.420 581 H TYR 74 H TYR 74 5.206 3.430 8.073 582 HA TYR 74 HA TYR 74 4.477 5.845 9.595 583 HB2 TYR 74 1HB TYR 74 3.455 5.044 6.859 584 HB3 TYR 74 2HB TYR 74 2.953 6.467 7.771 585 HD1 TYR 74 HD2 TYR 74 4.599 8.304 8.176 586 HD2 TYR 74 HD1 TYR 74 5.449 5.055 5.566 587 HE1 TYR 74 HE2 TYR 74 6.437 9.594 7.178 588 HE2 TYR 74 HE1 TYR 74 7.294 6.334 4.563 589 HH TYR 74 HH TYR 74 8.468 9.265 5.949 590 HA PRO 75 HA PRO 75 1.258 3.261 11.233 591 HB2 PRO 75 1HB PRO 75 -0.198 5.559 12.163 592 HB3 PRO 75 2HB PRO 75 0.836 4.473 13.091 593 HG2 PRO 75 1HG PRO 75 1.422 7.106 12.574 594 HG3 PRO 75 2HG PRO 75 2.632 5.867 12.950 595 HD2 PRO 75 1HD PRO 75 1.833 6.994 10.293 596 HD3 PRO 75 2HD PRO 75 3.444 6.544 10.889 597 H LEU 76 H LEU 76 -0.739 2.510 10.690 598 HA LEU 76 HA LEU 76 -2.006 3.682 8.355 599 HB2 LEU 76 1HB LEU 76 -2.447 1.129 9.885 600 HB3 LEU 76 2HB LEU 76 -3.518 1.639 8.594 601 HG LEU 76 HG LEU 76 -0.561 1.122 8.278 602 HD11 LEU 76 1HD1 LEU 76 -2.935 -0.553 7.469 603 HD12 LEU 76 2HD1 LEU 76 -1.778 -0.935 8.745 604 HD13 LEU 76 3HD1 LEU 76 -1.252 -0.887 7.063 605 HD21 LEU 76 3HD2 LEU 76 -1.064 1.252 5.871 606 HD22 LEU 76 1HD2 LEU 76 -1.384 2.775 6.703 607 HD23 LEU 76 2HD2 LEU 76 -2.721 1.715 6.258 608 HA PRO 77 HA PRO 77 -5.161 5.891 10.441 609 HB2 PRO 77 1HB PRO 77 -7.031 5.149 8.295 610 HB3 PRO 77 2HB PRO 77 -6.410 6.741 8.743 611 HG2 PRO 77 1HG PRO 77 -5.635 5.498 6.492 612 HG3 PRO 77 2HG PRO 77 -4.531 6.521 7.428 613 HD2 PRO 77 1HD PRO 77 -4.735 3.537 7.337 614 HD3 PRO 77 2HD PRO 77 -3.288 4.567 7.374 615 H GLY 78 H GLY 78 -6.473 2.929 8.924 616 HA2 GLY 78 1HA GLY 78 -7.445 1.883 11.371 617 HA3 GLY 78 2HA GLY 78 -8.740 2.697 10.508 618 H GLU 79 H GLU 79 -9.965 1.011 9.924 619 HA GLU 79 HA GLU 79 -8.896 -1.481 9.050 620 HB2 GLU 79 1HB GLU 79 -11.728 -0.513 8.665 621 HB3 GLU 79 2HB GLU 79 -11.163 -2.173 8.761 622 HG2 GLU 79 1HG GLU 79 -11.954 -1.997 10.857 623 HG3 GLU 79 2HG GLU 79 -10.352 -1.327 11.154 624 H THR 80 H THR 80 -10.926 0.900 7.304 625 HA THR 80 HA THR 80 -9.807 -0.206 4.826 626 HB THR 80 HB THR 80 -12.210 -0.448 4.931 627 HG1 THR 80 HG1 THR 80 -11.892 -0.127 2.878 628 HG21 THR 80 3HG2 THR 80 -12.328 2.550 5.243 629 HG22 THR 80 1HG2 THR 80 -12.793 1.347 6.448 630 HG23 THR 80 2HG2 THR 80 -13.712 1.495 4.949 631 H PHE 81 H PHE 81 -8.503 0.972 3.641 632 HA PHE 81 HA PHE 81 -8.619 3.874 3.752 633 HB2 PHE 81 1HB PHE 81 -6.163 4.040 4.170 634 HB3 PHE 81 2HB PHE 81 -7.068 3.418 5.544 635 HD1 PHE 81 HD1 PHE 81 -6.886 1.065 6.186 636 HD2 PHE 81 HD2 PHE 81 -4.567 2.682 3.005 637 HE1 PHE 81 HE1 PHE 81 -5.396 -0.889 6.283 638 HE2 PHE 81 HE2 PHE 81 -3.073 0.729 3.097 639 HZ PHE 81 HZ PHE 81 -3.487 -1.058 4.739 640 H ARG 82 H ARG 82 -7.386 4.892 2.057 641 HA ARG 82 HA ARG 82 -6.861 3.072 -0.193 642 HB2 ARG 82 1HB ARG 82 -7.565 4.890 -1.696 643 HB3 ARG 82 2HB ARG 82 -8.855 4.391 -0.615 644 HG2 ARG 82 1HG ARG 82 -8.309 6.339 0.836 645 HG3 ARG 82 2HG ARG 82 -7.155 6.863 -0.390 646 HD2 ARG 82 1HD ARG 82 -9.251 8.046 -0.660 647 HD3 ARG 82 2HD ARG 82 -8.980 6.973 -2.033 648 HE ARG 82 HE ARG 82 -10.704 6.134 0.195 649 HH11 ARG 82 1HH1 ARG 82 -10.300 6.951 -3.179 650 HH12 ARG 82 2HH1 ARG 82 -11.825 6.282 -3.651 651 HH21 ARG 82 1HH2 ARG 82 -12.721 5.266 -0.422 652 HH22 ARG 82 2HH2 ARG 82 -13.209 5.332 -2.091 653 H LEU 83 H LEU 83 -5.033 3.341 -1.361 654 HA LEU 83 HA LEU 83 -3.158 5.442 -0.482 655 HB2 LEU 83 1HB LEU 83 -2.467 2.691 -1.520 656 HB3 LEU 83 2HB LEU 83 -1.345 3.888 -0.905 657 HG LEU 83 HG LEU 83 -3.463 2.514 0.748 658 HD11 LEU 83 1HD1 LEU 83 -0.492 2.030 0.594 659 HD12 LEU 83 2HD1 LEU 83 -1.755 0.940 0.021 660 HD13 LEU 83 3HD1 LEU 83 -1.600 1.281 1.744 661 HD21 LEU 83 3HD2 LEU 83 -1.176 4.315 1.535 662 HD22 LEU 83 1HD2 LEU 83 -2.253 3.472 2.649 663 HD23 LEU 83 2HD2 LEU 83 -2.890 4.727 1.586 664 H TYR 84 H TYR 84 -2.683 6.858 -2.067 665 HA TYR 84 HA TYR 84 -3.564 6.211 -4.762 666 HB2 TYR 84 1HB TYR 84 -2.776 8.767 -3.400 667 HB3 TYR 84 2HB TYR 84 -2.915 8.681 -5.155 668 HD1 TYR 84 HD2 TYR 84 -4.778 8.369 -1.981 669 HD2 TYR 84 HD1 TYR 84 -5.048 8.576 -6.223 670 HE1 TYR 84 HE2 TYR 84 -7.214 8.659 -1.810 671 HE2 TYR 84 HE1 TYR 84 -7.484 8.863 -6.060 672 HH TYR 84 HH TYR 84 -9.287 8.370 -4.511 673 H TYR 85 H TYR 85 -2.250 5.173 -6.002 674 HA TYR 85 HA TYR 85 0.638 5.603 -5.800 675 HB2 TYR 85 1HB TYR 85 0.023 3.300 -5.616 676 HB3 TYR 85 2HB TYR 85 -1.031 3.404 -7.020 677 HD1 TYR 85 HD1 TYR 85 2.556 3.677 -6.035 678 HD2 TYR 85 HD2 TYR 85 -0.236 2.771 -9.123 679 HE1 TYR 85 HE1 TYR 85 4.397 2.912 -7.471 680 HE2 TYR 85 HE2 TYR 85 1.603 2.005 -10.560 681 HH TYR 85 HH TYR 85 4.020 2.340 -10.797 682 H THR 86 H THR 86 1.195 7.285 -7.027 683 HA THR 86 HA THR 86 0.248 7.481 -9.780 684 HB THR 86 HB THR 86 2.249 9.258 -8.368 685 HG1 THR 86 HG1 THR 86 -0.533 9.794 -8.696 686 HG21 THR 86 3HG2 THR 86 2.254 9.440 -10.803 687 HG22 THR 86 1HG2 THR 86 1.587 10.899 -10.071 688 HG23 THR 86 2HG2 THR 86 0.510 9.705 -10.798 689 H SER 87 H SER 87 1.261 6.134 -11.169 690 HA SER 87 HA SER 87 3.891 5.118 -10.566 691 HB2 SER 87 1HB SER 87 2.088 3.715 -11.591 692 HB3 SER 87 2HB SER 87 2.248 4.667 -13.067 693 HG SER 87 HG SER 87 3.580 2.992 -13.404 694 H ALA 88 H ALA 88 5.758 5.854 -11.283 695 HA ALA 88 HA ALA 88 5.766 7.645 -13.621 696 HB1 ALA 88 3HB ALA 88 7.641 7.716 -11.257 697 HB2 ALA 88 1HB ALA 88 6.327 8.854 -11.559 698 HB3 ALA 88 2HB ALA 88 7.702 8.780 -12.662 699 H SER 89 H SER 89 6.164 4.651 -13.003 700 HA SER 89 HA SER 89 8.908 4.219 -13.821 701 HB2 SER 89 1HB SER 89 7.641 2.822 -12.079 702 HB3 SER 89 2HB SER 89 6.793 2.098 -13.446 703 HG SER 89 HG SER 89 9.386 1.742 -12.567 704 H THR 90 H THR 90 9.527 3.269 -15.741 705 HA THR 90 HA THR 90 7.706 3.792 -17.944 706 HB THR 90 HB THR 90 9.761 3.324 -19.338 707 HG1 THR 90 HG1 THR 90 10.885 2.075 -17.732 708 HG21 THR 90 3HG2 THR 90 9.989 5.474 -17.231 709 HG22 THR 90 1HG2 THR 90 9.062 5.595 -18.725 710 HG23 THR 90 2HG2 THR 90 10.820 5.456 -18.787 711 H ASP 91 H ASP 91 8.670 1.153 -16.081 712 HA ASP 91 HA ASP 91 7.536 -0.704 -17.999 713 HB2 ASP 91 1HB ASP 91 9.412 -2.218 -18.000 714 HB3 ASP 91 2HB ASP 91 9.969 -0.636 -18.523 715 H GLN 92 H GLN 92 8.461 -3.019 -16.622 716 HA GLN 92 HA GLN 92 6.374 -3.333 -14.799 717 HB2 GLN 92 1HB GLN 92 7.492 -5.146 -16.059 718 HB3 GLN 92 2HB GLN 92 8.907 -4.959 -15.033 719 HG2 GLN 92 1HG GLN 92 7.601 -5.605 -13.090 720 HG3 GLN 92 2HG GLN 92 6.160 -5.754 -14.099 721 HE21 GLN 92 2HE2 GLN 92 7.449 -7.789 -12.494 722 HE22 GLN 92 1HE2 GLN 92 7.880 -9.060 -13.587 723 H GLN 93 H GLN 93 6.190 -2.352 -12.882 724 HA GLN 93 HA GLN 93 8.596 -2.192 -11.206 725 HB2 GLN 93 1HB GLN 93 7.516 -0.029 -11.490 726 HB3 GLN 93 2HB GLN 93 5.982 -0.695 -10.939 727 HG2 GLN 93 1HG GLN 93 6.840 -1.036 -8.734 728 HG3 GLN 93 2HG GLN 93 8.472 -0.619 -9.248 729 HE21 GLN 93 2HE2 GLN 93 7.555 1.601 -10.887 730 HE22 GLN 93 1HE2 GLN 93 7.130 2.869 -9.793 731 H THR 94 H THR 94 8.820 -3.624 -9.685 732 HA THR 94 HA THR 94 6.575 -5.198 -8.740 733 HB THR 94 HB THR 94 9.444 -5.298 -7.787 734 HG1 THR 94 HG1 THR 94 9.697 -6.971 -9.371 735 HG21 THR 94 3HG2 THR 94 8.869 -7.619 -7.215 736 HG22 THR 94 1HG2 THR 94 7.218 -7.339 -7.770 737 HG23 THR 94 2HG2 THR 94 7.841 -6.462 -6.371 738 H VAL 95 H VAL 95 5.402 -4.554 -7.046 739 HA VAL 95 HA VAL 95 6.613 -2.635 -5.165 740 HB VAL 95 HB VAL 95 3.680 -3.022 -5.796 741 HG11 VAL 95 1HG1 VAL 95 4.090 -2.283 -3.500 742 HG12 VAL 95 2HG1 VAL 95 3.325 -1.019 -4.465 743 HG13 VAL 95 3HG1 VAL 95 5.050 -0.935 -4.107 744 HG21 VAL 95 3HG2 VAL 95 3.853 -0.786 -6.848 745 HG22 VAL 95 1HG2 VAL 95 4.799 -2.022 -7.681 746 HG23 VAL 95 2HG2 VAL 95 5.603 -0.855 -6.631 747 H ASP 96 H ASP 96 7.309 -3.754 -3.450 748 HA ASP 96 HA ASP 96 5.692 -5.949 -2.412 749 HB2 ASP 96 1HB ASP 96 8.479 -4.982 -1.804 750 HB3 ASP 96 2HB ASP 96 7.659 -6.145 -0.766 751 H VAL 97 H VAL 97 4.120 -5.438 -1.112 752 HA VAL 97 HA VAL 97 4.338 -3.061 0.596 753 HB VAL 97 HB VAL 97 1.883 -4.739 0.075 754 HG11 VAL 97 1HG1 VAL 97 0.682 -2.723 0.787 755 HG12 VAL 97 2HG1 VAL 97 2.224 -1.927 1.105 756 HG13 VAL 97 3HG1 VAL 97 1.749 -3.339 2.050 757 HG21 VAL 97 3HG2 VAL 97 1.225 -3.058 -1.580 758 HG22 VAL 97 1HG2 VAL 97 2.701 -3.898 -2.054 759 HG23 VAL 97 2HG2 VAL 97 2.788 -2.265 -1.391 760 H TYR 98 H TYR 98 4.396 -3.213 2.761 761 HA TYR 98 HA TYR 98 4.010 -5.872 3.974 762 HB2 TYR 98 1HB TYR 98 5.996 -3.752 4.835 763 HB3 TYR 98 2HB TYR 98 5.775 -5.332 5.578 764 HD1 TYR 98 HD1 TYR 98 6.403 -7.385 4.265 765 HD2 TYR 98 HD2 TYR 98 7.409 -3.459 2.969 766 HE1 TYR 98 HE1 TYR 98 8.124 -8.320 2.780 767 HE2 TYR 98 HE2 TYR 98 9.128 -4.386 1.477 768 HH TYR 98 HH TYR 98 9.313 -7.655 0.686 769 H PHE 99 H PHE 99 2.295 -5.843 5.280 770 HA PHE 99 HA PHE 99 1.721 -3.362 6.767 771 HB2 PHE 99 1HB PHE 99 -0.080 -5.718 6.150 772 HB3 PHE 99 2HB PHE 99 -0.535 -4.348 7.155 773 HD1 PHE 99 HD2 PHE 99 -0.259 -2.000 5.997 774 HD2 PHE 99 HD1 PHE 99 -0.659 -5.700 3.934 775 HE1 PHE 99 HE2 PHE 99 -1.067 -0.798 4.005 776 HE2 PHE 99 HE1 PHE 99 -1.469 -4.507 1.940 777 HZ PHE 99 HZ PHE 99 -1.675 -2.054 1.975 778 H GLN 100 H GLN 100 2.494 -3.395 8.779 779 HA GLN 100 HA GLN 100 2.688 -6.013 10.116 780 HB2 GLN 100 1HB GLN 100 4.759 -5.304 11.155 781 HB3 GLN 100 2HB GLN 100 4.898 -5.183 9.409 782 HG2 GLN 100 1HG GLN 100 4.407 -2.740 9.625 783 HG3 GLN 100 2HG GLN 100 4.508 -2.941 11.372 784 HE21 GLN 100 2HE2 GLN 100 6.527 -4.608 9.030 785 HE22 GLN 100 1HE2 GLN 100 8.007 -3.827 9.469 786 H ASP 101 H ASP 101 2.721 -5.901 12.466 787 HA ASP 101 HA ASP 101 1.515 -3.505 13.621 788 HB2 ASP 101 1HB ASP 101 -0.506 -4.429 13.934 789 HB3 ASP 101 2HB ASP 101 0.014 -5.791 12.946 790 H SER 102 H SER 102 1.458 -3.670 16.049 791 HA SER 102 HA SER 102 4.123 -4.253 16.886 792 HB2 SER 102 1HB SER 102 2.676 -2.303 17.642 793 HB3 SER 102 2HB SER 102 1.817 -3.454 18.664 794 HG SER 102 HG SER 102 3.620 -3.756 19.874 795 H PHE 103 H PHE 103 1.171 -6.037 16.968 796 HA PHE 103 HA PHE 103 1.917 -7.733 19.177 797 HB2 PHE 103 1HB PHE 103 -0.438 -7.344 18.661 798 HB3 PHE 103 2HB PHE 103 -0.223 -8.018 17.053 799 HD1 PHE 103 HD1 PHE 103 -0.074 -8.883 20.660 800 HD2 PHE 103 HD2 PHE 103 -0.541 -10.289 16.668 801 HE1 PHE 103 HE1 PHE 103 -0.689 -11.105 21.517 802 HE2 PHE 103 HE2 PHE 103 -1.155 -12.514 17.520 803 HZ PHE 103 HZ PHE 103 -1.232 -12.923 19.947 804 H GLY 104 H GLY 104 2.427 -7.666 15.741 805 HA2 GLY 104 1HA GLY 104 4.535 -8.863 15.150 806 HA3 GLY 104 2HA GLY 104 3.861 -10.241 16.003 807 H GLN 105 H GLN 105 1.496 -8.537 14.258 808 HA GLN 105 HA GLN 105 1.339 -10.620 12.262 809 HB2 GLN 105 1HB GLN 105 -0.746 -9.787 13.054 810 HB3 GLN 105 2HB GLN 105 -0.260 -8.119 12.800 811 HG2 GLN 105 1HG GLN 105 -1.876 -8.792 11.140 812 HG3 GLN 105 2HG GLN 105 -0.321 -8.467 10.382 813 HE21 GLN 105 2HE2 GLN 105 -1.041 -11.400 12.162 814 HE22 GLN 105 1HE2 GLN 105 -1.010 -12.452 10.788 815 H LEU 106 H LEU 106 2.039 -10.548 10.207 816 HA LEU 106 HA LEU 106 2.785 -7.979 9.032 817 HB2 LEU 106 1HB LEU 106 4.859 -8.848 9.963 818 HB3 LEU 106 2HB LEU 106 4.606 -10.383 9.157 819 HG LEU 106 HG LEU 106 4.848 -9.259 6.966 820 HD11 LEU 106 1HD1 LEU 106 5.524 -6.833 8.625 821 HD12 LEU 106 2HD1 LEU 106 4.105 -7.030 7.597 822 HD13 LEU 106 3HD1 LEU 106 5.714 -6.973 6.876 823 HD21 LEU 106 3HD2 LEU 106 6.781 -10.306 8.007 824 HD22 LEU 106 1HD2 LEU 106 7.138 -8.816 8.879 825 HD23 LEU 106 2HD2 LEU 106 7.261 -8.859 7.121 826 H GLN 107 H GLN 107 1.707 -7.832 7.231 827 HA GLN 107 HA GLN 107 1.064 -10.285 5.729 828 HB2 GLN 107 1HB GLN 107 -0.842 -8.891 6.595 829 HB3 GLN 107 2HB GLN 107 -0.283 -7.575 5.576 830 HG2 GLN 107 1HG GLN 107 -2.130 -8.722 4.539 831 HG3 GLN 107 2HG GLN 107 -0.660 -8.963 3.594 832 HE21 GLN 107 2HE2 GLN 107 -2.973 -10.448 5.728 833 HE22 GLN 107 1HE2 GLN 107 -2.543 -12.085 5.376 834 H GLN 108 H GLN 108 2.233 -10.596 3.975 835 HA GLN 108 HA GLN 108 3.642 -8.302 2.790 836 HB2 GLN 108 1HB GLN 108 4.857 -10.359 3.758 837 HB3 GLN 108 2HB GLN 108 4.261 -11.218 2.349 838 HG2 GLN 108 1HG GLN 108 5.880 -8.713 2.112 839 HG3 GLN 108 2HG GLN 108 6.625 -10.300 2.271 840 HE21 GLN 108 2HE2 GLN 108 4.955 -8.117 0.202 841 HE22 GLN 108 1HE2 GLN 108 5.081 -9.059 -1.246 842 H LEU 109 H LEU 109 2.620 -7.510 1.076 843 HA LEU 109 HA LEU 109 1.355 -9.397 -0.811 844 HB2 LEU 109 1HB LEU 109 0.581 -6.518 -0.310 845 HB3 LEU 109 2HB LEU 109 -0.241 -7.655 -1.366 846 HG LEU 109 HG LEU 109 -0.081 -7.816 1.644 847 HD11 LEU 109 1HD1 LEU 109 -2.492 -7.423 1.552 848 HD12 LEU 109 2HD1 LEU 109 -2.388 -7.212 -0.195 849 HD13 LEU 109 3HD1 LEU 109 -1.578 -6.073 0.881 850 HD21 LEU 109 3HD2 LEU 109 -1.472 -9.626 -0.323 851 HD22 LEU 109 1HD2 LEU 109 -1.618 -9.707 1.434 852 HD23 LEU 109 2HD2 LEU 109 -0.065 -10.036 0.661 853 H THR 110 H THR 110 2.229 -9.419 -2.800 854 HA THR 110 HA THR 110 3.981 -7.163 -3.529 855 HB THR 110 HB THR 110 4.167 -10.041 -4.455 856 HG1 THR 110 HG1 THR 110 6.197 -8.784 -2.971 857 HG21 THR 110 3HG2 THR 110 6.293 -9.366 -5.462 858 HG22 THR 110 1HG2 THR 110 6.019 -7.702 -4.949 859 HG23 THR 110 2HG2 THR 110 4.957 -8.442 -6.148 860 H PHE 111 H PHE 111 3.260 -5.917 -5.100 861 HA PHE 111 HA PHE 111 1.310 -7.040 -7.009 862 HB2 PHE 111 1HB PHE 111 1.700 -4.155 -6.172 863 HB3 PHE 111 2HB PHE 111 0.510 -4.734 -7.333 864 HD1 PHE 111 HD2 PHE 111 -1.206 -6.449 -6.489 865 HD2 PHE 111 HD1 PHE 111 1.164 -4.016 -3.925 866 HE1 PHE 111 HE2 PHE 111 -2.811 -6.820 -4.661 867 HE2 PHE 111 HE1 PHE 111 -0.435 -4.383 -2.094 868 HZ PHE 111 HZ PHE 111 -2.426 -5.784 -2.459 869 H SER 112 H SER 112 1.656 -6.825 -9.176 870 HA SER 112 HA SER 112 4.217 -5.595 -9.960 871 HB2 SER 112 1HB SER 112 4.146 -8.030 -10.307 872 HB3 SER 112 2HB SER 112 2.701 -7.852 -11.299 873 HG SER 112 HG SER 112 4.583 -6.226 -12.255 874 H PHE 113 H PHE 113 3.812 -3.636 -10.731 875 HA PHE 113 HA PHE 113 1.487 -3.185 -12.431 876 HB2 PHE 113 1HB PHE 113 3.604 -1.332 -11.327 877 HB3 PHE 113 2HB PHE 113 2.381 -0.806 -12.478 878 HD1 PHE 113 HD1 PHE 113 3.020 -1.858 -9.038 879 HD2 PHE 113 HD2 PHE 113 0.067 -0.600 -11.832 880 HE1 PHE 113 HE1 PHE 113 1.447 -1.456 -7.188 881 HE2 PHE 113 HE2 PHE 113 -1.511 -0.195 -9.988 882 HZ PHE 113 HZ PHE 113 -0.822 -0.622 -7.663 883 H ASN 114 H ASN 114 1.588 -2.965 -14.595 884 HA ASN 114 HA ASN 114 2.335 -3.370 -16.699 885 HB2 ASN 114 1HB ASN 114 4.932 -2.307 -15.563 886 HB3 ASN 114 2HB ASN 114 4.720 -2.732 -17.256 887 HD21 ASN 114 2HD2 ASN 114 5.218 -0.584 -17.793 888 HD22 ASN 114 1HD2 ASN 114 4.070 0.694 -17.592 889 H ASN 115 H ASN 115 1.882 -5.557 -15.672 890 HA ASN 115 HA ASN 115 3.846 -7.197 -14.594 891 HB2 ASN 115 1HB ASN 115 1.333 -7.566 -14.586 892 HB3 ASN 115 2HB ASN 115 1.507 -8.211 -16.214 893 HD21 ASN 115 2HD2 ASN 115 3.769 -8.615 -13.537 894 HD22 ASN 115 1HD2 ASN 115 3.583 -10.328 -13.415 895 H ASP 116 H ASP 116 4.814 -9.139 -15.453 896 HA ASP 116 HA ASP 116 6.597 -8.714 -17.473 897 HB2 ASP 116 1HB ASP 116 5.494 -11.426 -16.722 898 HB3 ASP 116 2HB ASP 116 7.072 -11.088 -17.424 899 H SER 117 H SER 117 3.549 -10.443 -17.718 900 HA SER 117 HA SER 117 3.542 -10.042 -20.600 901 HB2 SER 117 1HB SER 117 4.685 -12.238 -20.135 902 HB3 SER 117 2HB SER 117 3.190 -12.800 -19.394 903 HG SER 117 HG SER 117 3.163 -13.487 -21.493 904 H SER 118 H SER 118 1.384 -11.467 -21.314 905 HA SER 118 HA SER 118 -0.743 -9.857 -20.501 906 HB2 SER 118 1HB SER 118 -0.981 -12.610 -21.726 907 HB3 SER 118 2HB SER 118 -2.112 -11.263 -21.875 908 HG SER 118 HG SER 118 -0.308 -10.115 -22.906 909 H LYS 119 H LYS 119 0.052 -13.200 -19.574 910 HA LYS 119 HA LYS 119 -1.359 -12.921 -17.084 911 HB2 LYS 119 1HB LYS 119 -3.210 -13.388 -18.645 912 HB3 LYS 119 2HB LYS 119 -2.393 -14.848 -19.179 913 HG2 LYS 119 1HG LYS 119 -2.602 -15.757 -16.886 914 HG3 LYS 119 2HG LYS 119 -3.513 -14.312 -16.432 915 HD2 LYS 119 1HD LYS 119 -5.177 -14.839 -18.168 916 HD3 LYS 119 2HD LYS 119 -4.282 -16.305 -18.566 917 HE2 LYS 119 1HE LYS 119 -5.557 -15.683 -15.902 918 HE3 LYS 119 2HE LYS 119 -6.206 -16.776 -17.124 919 HZ1 LYS 119 3HZ LYS 119 -4.038 -18.033 -16.871 920 HZ2 LYS 119 1HZ LYS 119 -5.124 -18.129 -15.574 921 HZ3 LYS 119 2HZ LYS 119 -3.773 -17.113 -15.468 922 H GLU 120 H GLU 120 0.599 -13.532 -16.119 923 HA GLU 120 HA GLU 120 0.873 -16.366 -15.855 924 HB2 GLU 120 1HB GLU 120 3.275 -16.474 -16.447 925 HB3 GLU 120 2HB GLU 120 2.237 -16.149 -17.826 926 HG2 GLU 120 1HG GLU 120 2.875 -13.843 -17.839 927 HG3 GLU 120 2HG GLU 120 3.775 -14.041 -16.333 928 H GLU 121 H GLU 121 0.271 -14.074 -14.202 929 HA GLU 121 HA GLU 121 2.484 -13.646 -12.422 930 HB2 GLU 121 1HB GLU 121 0.608 -12.030 -12.686 931 HB3 GLU 121 2HB GLU 121 -0.483 -13.213 -11.977 932 HG2 GLU 121 1HG GLU 121 0.970 -13.145 -9.918 933 HG3 GLU 121 2HG GLU 121 1.785 -11.762 -10.645 934 H GLU 122 H GLU 122 0.425 -16.174 -13.025 935 HA GLU 122 HA GLU 122 0.156 -17.143 -10.304 936 HB2 GLU 122 1HB GLU 122 -0.742 -18.332 -12.938 937 HB3 GLU 122 2HB GLU 122 -1.236 -18.871 -11.335 938 HG2 GLU 122 1HG GLU 122 -2.578 -17.040 -10.978 939 HG3 GLU 122 2HG GLU 122 -1.699 -16.040 -12.134 940 H LEU 123 H LEU 123 2.821 -17.003 -11.674 941 HA LEU 123 HA LEU 123 3.459 -19.874 -11.826 942 HB2 LEU 123 1HB LEU 123 4.994 -17.531 -12.950 943 HB3 LEU 123 2HB LEU 123 5.438 -19.218 -13.112 944 HG LEU 123 HG LEU 123 3.000 -17.903 -14.303 945 HD11 LEU 123 1HD1 LEU 123 4.115 -18.292 -16.426 946 HD12 LEU 123 2HD1 LEU 123 5.504 -18.981 -15.588 947 HD13 LEU 123 3HD1 LEU 123 5.105 -17.275 -15.379 948 HD21 LEU 123 3HD2 LEU 123 4.002 -20.735 -14.567 949 HD22 LEU 123 1HD2 LEU 123 2.634 -20.031 -15.429 950 HD23 LEU 123 2HD2 LEU 123 2.567 -20.226 -13.677 951 H GLU 124 H GLU 124 4.785 -20.738 -10.352 952 HA GLU 124 HA GLU 124 6.096 -19.131 -8.363 953 HB2 GLU 124 1HB GLU 124 6.698 -22.031 -8.966 954 HB3 GLU 124 2HB GLU 124 6.936 -21.174 -7.453 955 HG2 GLU 124 1HG GLU 124 5.086 -22.470 -7.018 956 HG3 GLU 124 2HG GLU 124 4.367 -20.923 -7.463 957 H HIS 125 H HIS 125 7.544 -17.783 -9.312 958 HA HIS 125 HA HIS 125 9.358 -17.015 -10.425 959 HB2 HIS 125 1HB HIS 125 10.657 -18.797 -9.338 960 HB3 HIS 125 2HB HIS 125 10.184 -19.928 -10.602 961 HD1 HIS 125 HD1 HIS 125 11.915 -20.227 -12.350 962 HD2 HIS 125 HD2 HIS 125 12.132 -16.471 -10.568 963 HE1 HIS 125 HE1 HIS 125 13.883 -19.074 -13.422 964 HE2 HIS 125 HE2 HIS 125 14.064 -16.850 -12.250 965 H HIS 126 H HIS 126 9.118 -16.169 -12.352 966 HA HIS 126 HA HIS 126 7.385 -17.160 -14.288 967 HB2 HIS 126 1HB HIS 126 9.569 -15.098 -14.422 968 HB3 HIS 126 2HB HIS 126 8.618 -15.514 -15.844 969 HD1 HIS 126 HD1 HIS 126 6.124 -14.811 -15.862 970 HD2 HIS 126 HD2 HIS 126 8.244 -13.580 -12.501 971 HE1 HIS 126 HE1 HIS 126 4.641 -13.159 -14.686 972 HE2 HIS 126 HE2 HIS 126 6.105 -12.187 -12.889 973 H HIS 127 H HIS 127 7.585 -19.015 -15.241 974 HA HIS 127 HA HIS 127 10.190 -19.817 -16.355 975 HB2 HIS 127 1HB HIS 127 9.235 -21.192 -14.456 976 HB3 HIS 127 2HB HIS 127 7.903 -21.619 -15.523 977 HD1 HIS 127 HD1 HIS 127 11.709 -21.793 -15.665 978 HD2 HIS 127 HD2 HIS 127 8.336 -23.981 -16.731 979 HE1 HIS 127 HE1 HIS 127 12.572 -23.961 -16.608 980 HE2 HIS 127 HE2 HIS 127 10.512 -25.348 -17.028 981 H HIS 128 H HIS 128 7.380 -18.499 -17.153 982 HA HIS 128 HA HIS 128 6.944 -19.996 -19.636 983 HB2 HIS 128 1HB HIS 128 4.983 -19.508 -18.188 984 HB3 HIS 128 2HB HIS 128 5.307 -17.789 -18.351 985 HD1 HIS 128 HD1 HIS 128 4.033 -20.750 -20.285 986 HD2 HIS 128 HD2 HIS 128 4.343 -16.618 -20.671 987 HE1 HIS 128 HE1 HIS 128 2.608 -20.141 -22.267 988 HE2 HIS 128 HE2 HIS 128 2.619 -17.620 -22.323 989 H HIS 129 H HIS 129 7.159 -18.983 -21.638 990 HA HIS 129 HA HIS 129 7.991 -17.557 -23.186 991 HB2 HIS 129 1HB HIS 129 6.450 -15.889 -22.540 992 HB3 HIS 129 2HB HIS 129 7.291 -15.575 -21.028 993 HD1 HIS 129 HD1 HIS 129 8.183 -15.290 -24.746 994 HD2 HIS 129 HD2 HIS 129 8.644 -13.257 -21.142 995 HE1 HIS 129 HE1 HIS 129 9.431 -13.176 -25.307 996 HE2 HIS 129 HE2 HIS 129 9.697 -11.955 -23.117 997 H HIS 130 H HIS 130 9.997 -18.438 -23.322 998 HA HIS 130 HA HIS 130 12.115 -16.771 -22.194 999 HB2 HIS 130 1HB HIS 130 13.518 -18.846 -21.798 1000 HB3 HIS 130 2HB HIS 130 12.200 -18.588 -20.666 1001 HD1 HIS 130 HD1 HIS 130 13.458 -20.956 -23.236 1002 HD2 HIS 130 HD2 HIS 130 10.081 -20.461 -20.862 1003 HE1 HIS 130 HE1 HIS 130 12.238 -23.155 -23.323 1004 HE2 HIS 130 HE2 HIS 130 10.305 -22.890 -21.725 Start of MODEL 11 1 H1 MET 1 1H MET 1 -3.909 -32.502 15.000 2 H2 MET 1 2H MET 1 -2.545 -33.161 14.246 3 H3 MET 1 3H MET 1 -4.072 -33.848 13.976 4 HA MET 1 HA MET 1 -3.103 -31.192 13.096 5 HB2 MET 1 1HB MET 1 -2.430 -33.251 11.800 6 HB3 MET 1 2HB MET 1 -4.134 -33.529 11.477 7 HG2 MET 1 1HG MET 1 -3.086 -32.463 9.588 8 HG3 MET 1 2HG MET 1 -4.262 -31.375 10.326 9 HE1 MET 1 3HE MET 1 -3.167 -29.359 8.943 10 HE2 MET 1 1HE MET 1 -1.977 -30.459 8.251 11 HE3 MET 1 2HE MET 1 -1.452 -28.955 9.006 12 H ASN 2 H ASN 2 -5.800 -33.063 14.089 13 HA ASN 2 HA ASN 2 -7.573 -30.835 13.359 14 HB2 ASN 2 1HB ASN 2 -9.346 -32.335 12.695 15 HB3 ASN 2 2HB ASN 2 -7.911 -32.745 11.762 16 HD21 ASN 2 2HD2 ASN 2 -10.245 -34.370 12.390 17 HD22 ASN 2 1HD2 ASN 2 -9.641 -35.768 13.215 18 H ASP 3 H ASP 3 -6.149 -32.178 15.787 19 HA ASP 3 HA ASP 3 -8.439 -32.968 17.395 20 HB2 ASP 3 1HB ASP 3 -6.603 -33.583 19.069 21 HB3 ASP 3 2HB ASP 3 -6.698 -34.524 17.586 22 H ASP 4 H ASP 4 -9.330 -30.875 17.578 23 HA ASP 4 HA ASP 4 -8.935 -29.838 20.138 24 HB2 ASP 4 1HB ASP 4 -6.942 -28.758 18.895 25 HB3 ASP 4 2HB ASP 4 -8.157 -27.781 18.072 26 H VAL 5 H VAL 5 -10.219 -27.529 20.199 27 HA VAL 5 HA VAL 5 -12.620 -27.981 18.554 28 HB VAL 5 HB VAL 5 -13.980 -27.242 20.552 29 HG11 VAL 5 1HG1 VAL 5 -13.900 -29.564 19.831 30 HG12 VAL 5 2HG1 VAL 5 -13.960 -29.462 21.591 31 HG13 VAL 5 3HG1 VAL 5 -12.435 -29.823 20.780 32 HG21 VAL 5 3HG2 VAL 5 -12.984 -27.538 22.767 33 HG22 VAL 5 1HG2 VAL 5 -12.174 -26.256 21.868 34 HG23 VAL 5 2HG2 VAL 5 -11.413 -27.840 22.026 35 H ASP 6 H ASP 6 -10.637 -25.638 20.304 36 HA ASP 6 HA ASP 6 -12.256 -23.501 19.087 37 HB2 ASP 6 1HB ASP 6 -11.462 -22.029 20.909 38 HB3 ASP 6 2HB ASP 6 -12.375 -23.410 21.502 39 H ILE 7 H ILE 7 -9.077 -24.838 19.397 40 HA ILE 7 HA ILE 7 -7.156 -24.435 18.245 41 HB ILE 7 HB ILE 7 -8.741 -22.326 16.754 42 HG12 ILE 7 1HG1 ILE 7 -8.014 -25.162 15.981 43 HG13 ILE 7 2HG1 ILE 7 -9.611 -24.625 16.491 44 HG21 ILE 7 1HG2 ILE 7 -6.074 -23.566 16.091 45 HG22 ILE 7 2HG2 ILE 7 -6.339 -21.908 16.629 46 HG23 ILE 7 3HG2 ILE 7 -6.972 -22.443 15.073 47 HD11 ILE 7 3HD1 ILE 7 -9.455 -24.865 14.072 48 HD12 ILE 7 1HD1 ILE 7 -8.154 -23.678 14.036 49 HD13 ILE 7 2HD1 ILE 7 -9.775 -23.195 14.539 50 H GLN 8 H GLN 8 -5.343 -23.069 18.454 51 HA GLN 8 HA GLN 8 -5.253 -21.623 20.820 52 HB2 GLN 8 1HB GLN 8 -3.381 -21.525 18.455 53 HB3 GLN 8 2HB GLN 8 -3.028 -20.835 20.036 54 HG2 GLN 8 1HG GLN 8 -3.243 -23.075 21.032 55 HG3 GLN 8 2HG GLN 8 -3.513 -23.744 19.421 56 HE21 GLN 8 2HE2 GLN 8 -1.288 -21.137 20.124 57 HE22 GLN 8 1HE2 GLN 8 0.158 -22.020 19.781 58 H GLN 9 H GLN 9 -4.567 -19.369 21.114 59 HA GLN 9 HA GLN 9 -6.550 -17.643 20.007 60 HB2 GLN 9 1HB GLN 9 -5.544 -15.919 21.440 61 HB3 GLN 9 2HB GLN 9 -5.826 -17.414 22.322 62 HG2 GLN 9 1HG GLN 9 -3.452 -17.994 22.051 63 HG3 GLN 9 2HG GLN 9 -3.191 -16.455 21.231 64 HE21 GLN 9 2HE2 GLN 9 -2.044 -17.518 23.714 65 HE22 GLN 9 1HE2 GLN 9 -2.412 -16.349 24.940 66 H SER 10 H SER 10 -3.825 -18.686 18.611 67 HA SER 10 HA SER 10 -2.760 -16.266 17.528 68 HB2 SER 10 1HB SER 10 -2.450 -19.116 16.552 69 HB3 SER 10 2HB SER 10 -1.433 -17.744 16.106 70 HG SER 10 HG SER 10 -0.667 -17.638 18.189 71 H TYR 11 H TYR 11 -5.203 -15.723 17.073 72 HA TYR 11 HA TYR 11 -6.104 -16.733 14.504 73 HB2 TYR 11 1HB TYR 11 -7.310 -14.596 16.276 74 HB3 TYR 11 2HB TYR 11 -8.067 -15.305 14.854 75 HD1 TYR 11 HD2 TYR 11 -8.303 -17.943 14.939 76 HD2 TYR 11 HD1 TYR 11 -7.862 -15.443 18.355 77 HE1 TYR 11 HE2 TYR 11 -9.301 -19.697 16.344 78 HE2 TYR 11 HE1 TYR 11 -8.859 -17.189 19.768 79 HH TYR 11 HH TYR 11 -9.292 -20.380 18.737 80 HA PRO 12 HA PRO 12 -3.772 -13.503 12.539 81 HB2 PRO 12 1HB PRO 12 -4.254 -14.243 9.995 82 HB3 PRO 12 2HB PRO 12 -3.163 -15.151 11.047 83 HG2 PRO 12 1HG PRO 12 -6.010 -15.728 10.330 84 HG3 PRO 12 2HG PRO 12 -4.636 -16.845 10.440 85 HD2 PRO 12 1HD PRO 12 -6.499 -16.551 12.418 86 HD3 PRO 12 2HD PRO 12 -4.819 -17.037 12.721 87 H PHE 13 H PHE 13 -4.166 -11.598 11.466 88 HA PHE 13 HA PHE 13 -6.902 -10.720 11.295 89 HB2 PHE 13 1HB PHE 13 -4.262 -9.360 10.743 90 HB3 PHE 13 2HB PHE 13 -5.810 -8.579 10.438 91 HD1 PHE 13 HD1 PHE 13 -3.586 -9.914 13.045 92 HD2 PHE 13 HD2 PHE 13 -7.138 -7.728 12.213 93 HE1 PHE 13 HE1 PHE 13 -3.673 -9.176 15.390 94 HE2 PHE 13 HE2 PHE 13 -7.235 -6.989 14.559 95 HZ PHE 13 HZ PHE 13 -5.501 -7.713 16.146 96 H SER 14 H SER 14 -7.284 -9.279 9.170 97 HA SER 14 HA SER 14 -6.370 -10.767 6.831 98 HB2 SER 14 1HB SER 14 -8.552 -11.735 7.640 99 HB3 SER 14 2HB SER 14 -9.296 -10.175 7.320 100 HG SER 14 HG SER 14 -8.933 -12.157 5.635 101 H ILE 15 H ILE 15 -5.377 -9.209 5.753 102 HA ILE 15 HA ILE 15 -6.828 -6.691 5.300 103 HB ILE 15 HB ILE 15 -3.888 -7.307 4.924 104 HG12 ILE 15 1HG1 ILE 15 -3.680 -5.319 6.509 105 HG13 ILE 15 2HG1 ILE 15 -5.405 -5.500 6.803 106 HG21 ILE 15 1HG2 ILE 15 -5.410 -4.801 4.228 107 HG22 ILE 15 2HG2 ILE 15 -4.632 -5.908 3.097 108 HG23 ILE 15 3HG2 ILE 15 -3.654 -4.958 4.216 109 HD11 ILE 15 3HD1 ILE 15 -3.303 -7.582 7.344 110 HD12 ILE 15 1HD1 ILE 15 -5.031 -7.744 7.657 111 HD13 ILE 15 2HD1 ILE 15 -4.082 -6.551 8.543 112 H GLU 16 H GLU 16 -8.073 -6.930 3.585 113 HA GLU 16 HA GLU 16 -7.064 -8.435 1.281 114 HB2 GLU 16 1HB GLU 16 -9.388 -8.471 0.506 115 HB3 GLU 16 2HB GLU 16 -9.265 -9.117 2.137 116 HG2 GLU 16 1HG GLU 16 -10.040 -6.990 3.040 117 HG3 GLU 16 2HG GLU 16 -10.154 -6.340 1.405 118 H THR 17 H THR 17 -7.296 -7.511 -0.836 119 HA THR 17 HA THR 17 -7.297 -4.566 -0.801 120 HB THR 17 HB THR 17 -5.758 -4.682 -2.751 121 HG1 THR 17 HG1 THR 17 -5.054 -7.319 -2.201 122 HG21 THR 17 3HG2 THR 17 -3.748 -5.342 -1.494 123 HG22 THR 17 1HG2 THR 17 -4.767 -6.102 -0.273 124 HG23 THR 17 2HG2 THR 17 -4.833 -4.354 -0.516 125 H MET 18 H MET 18 -8.036 -3.545 -2.807 126 HA MET 18 HA MET 18 -10.112 -5.066 -4.153 127 HB2 MET 18 1HB MET 18 -10.690 -2.993 -5.265 128 HB3 MET 18 2HB MET 18 -10.488 -2.682 -3.548 129 HG2 MET 18 1HG MET 18 -8.279 -1.759 -3.959 130 HG3 MET 18 2HG MET 18 -8.448 -2.099 -5.681 131 HE1 MET 18 3HE MET 18 -11.529 -1.361 -6.162 132 HE2 MET 18 1HE MET 18 -10.230 -0.891 -7.257 133 HE3 MET 18 2HE MET 18 -11.379 0.317 -6.681 134 HA PRO 19 HA PRO 19 -7.749 -6.779 -7.416 135 HB2 PRO 19 1HB PRO 19 -9.869 -5.586 -9.164 136 HB3 PRO 19 2HB PRO 19 -9.197 -7.222 -9.173 137 HG2 PRO 19 1HG PRO 19 -11.561 -6.765 -8.068 138 HG3 PRO 19 2HG PRO 19 -10.408 -7.868 -7.296 139 HD2 PRO 19 1HD PRO 19 -11.176 -5.096 -6.531 140 HD3 PRO 19 2HD PRO 19 -10.703 -6.462 -5.503 141 H VAL 20 H VAL 20 -5.892 -5.846 -7.946 142 HA VAL 20 HA VAL 20 -5.801 -3.076 -8.789 143 HB VAL 20 HB VAL 20 -3.340 -3.360 -8.738 144 HG11 VAL 20 1HG1 VAL 20 -4.786 -4.297 -6.263 145 HG12 VAL 20 2HG1 VAL 20 -4.492 -2.621 -6.734 146 HG13 VAL 20 3HG1 VAL 20 -3.138 -3.669 -6.307 147 HG21 VAL 20 3HG2 VAL 20 -3.163 -5.696 -9.352 148 HG22 VAL 20 1HG2 VAL 20 -3.994 -6.175 -7.872 149 HG23 VAL 20 2HG2 VAL 20 -2.397 -5.432 -7.784 150 HA PRO 21 HA PRO 21 -5.378 -3.881 -13.140 151 HB2 PRO 21 1HB PRO 21 -3.819 -1.777 -13.865 152 HB3 PRO 21 2HB PRO 21 -5.532 -1.610 -13.470 153 HG2 PRO 21 1HG PRO 21 -3.134 -1.064 -11.766 154 HG3 PRO 21 2HG PRO 21 -4.617 -0.107 -11.953 155 HD2 PRO 21 1HD PRO 21 -4.200 -1.751 -9.844 156 HD3 PRO 21 2HD PRO 21 -5.816 -1.453 -10.515 157 H LYS 22 H LYS 22 -3.679 -4.251 -14.807 158 HA LYS 22 HA LYS 22 -1.252 -5.330 -13.529 159 HB2 LYS 22 1HB LYS 22 -2.427 -6.084 -16.206 160 HB3 LYS 22 2HB LYS 22 -1.094 -6.878 -15.383 161 HG2 LYS 22 1HG LYS 22 -2.678 -7.465 -13.550 162 HG3 LYS 22 2HG LYS 22 -3.980 -6.833 -14.555 163 HD2 LYS 22 1HD LYS 22 -2.142 -9.127 -15.232 164 HD3 LYS 22 2HD LYS 22 -3.839 -9.249 -14.772 165 HE2 LYS 22 1HE LYS 22 -4.008 -9.404 -17.053 166 HE3 LYS 22 2HE LYS 22 -4.183 -7.664 -16.839 167 HZ1 LYS 22 3HZ LYS 22 -1.919 -7.334 -17.461 168 HZ2 LYS 22 1HZ LYS 22 -2.626 -8.333 -18.635 169 HZ3 LYS 22 2HZ LYS 22 -1.604 -8.999 -17.455 170 H LYS 23 H LYS 23 -2.040 -2.590 -14.886 171 HA LYS 23 HA LYS 23 0.589 -2.039 -15.845 172 HB2 LYS 23 1HB LYS 23 0.021 -1.440 -18.139 173 HB3 LYS 23 2HB LYS 23 -0.327 -3.137 -17.845 174 HG2 LYS 23 1HG LYS 23 -2.691 -2.643 -17.635 175 HG3 LYS 23 2HG LYS 23 -2.367 -0.921 -17.857 176 HD2 LYS 23 1HD LYS 23 -1.399 -1.445 -20.079 177 HD3 LYS 23 2HD LYS 23 -1.875 -3.128 -19.850 178 HE2 LYS 23 1HE LYS 23 -4.217 -2.434 -19.670 179 HE3 LYS 23 2HE LYS 23 -3.737 -0.756 -19.918 180 HZ1 LYS 23 3HZ LYS 23 -3.403 -2.981 -21.855 181 HZ2 LYS 23 1HZ LYS 23 -2.846 -1.396 -22.095 182 HZ3 LYS 23 2HZ LYS 23 -4.512 -1.699 -21.974 183 H LEU 24 H LEU 24 0.870 0.218 -16.442 184 HA LEU 24 HA LEU 24 -1.260 2.028 -15.567 185 HB2 LEU 24 1HB LEU 24 1.483 1.888 -14.318 186 HB3 LEU 24 2HB LEU 24 0.410 3.263 -14.141 187 HG LEU 24 HG LEU 24 -0.236 0.459 -13.221 188 HD11 LEU 24 1HD1 LEU 24 1.610 1.400 -11.943 189 HD12 LEU 24 2HD1 LEU 24 0.144 1.318 -10.967 190 HD13 LEU 24 3HD1 LEU 24 0.669 2.860 -11.642 191 HD21 LEU 24 3HD2 LEU 24 -2.217 1.767 -13.752 192 HD22 LEU 24 1HD2 LEU 24 -1.628 3.096 -12.753 193 HD23 LEU 24 2HD2 LEU 24 -2.066 1.558 -12.009 194 H LYS 25 H LYS 25 -0.524 4.375 -15.916 195 HA LYS 25 HA LYS 25 1.286 4.516 -18.234 196 HB2 LYS 25 1HB LYS 25 -1.327 5.975 -17.821 197 HB3 LYS 25 2HB LYS 25 -0.163 6.397 -19.069 198 HG2 LYS 25 1HG LYS 25 -0.405 4.192 -20.066 199 HG3 LYS 25 2HG LYS 25 -1.549 3.738 -18.801 200 HD2 LYS 25 1HD LYS 25 -3.115 5.402 -19.552 201 HD3 LYS 25 2HD LYS 25 -1.946 6.036 -20.713 202 HE2 LYS 25 1HE LYS 25 -3.086 3.243 -20.761 203 HE3 LYS 25 2HE LYS 25 -3.661 4.583 -21.752 204 HZ1 LYS 25 3HZ LYS 25 -2.133 3.197 -22.990 205 HZ2 LYS 25 1HZ LYS 25 -0.927 3.414 -21.815 206 HZ3 LYS 25 2HZ LYS 25 -1.451 4.731 -22.745 207 H VAL 26 H VAL 26 2.158 6.738 -18.596 208 HA VAL 26 HA VAL 26 3.335 7.750 -16.224 209 HB VAL 26 HB VAL 26 3.178 9.106 -18.928 210 HG11 VAL 26 1HG1 VAL 26 3.849 10.608 -17.124 211 HG12 VAL 26 2HG1 VAL 26 5.200 10.282 -18.208 212 HG13 VAL 26 3HG1 VAL 26 5.115 9.478 -16.642 213 HG21 VAL 26 3HG2 VAL 26 4.127 6.865 -19.128 214 HG22 VAL 26 1HG2 VAL 26 5.281 7.233 -17.843 215 HG23 VAL 26 2HG2 VAL 26 5.363 8.099 -19.375 216 H GLY 27 H GLY 27 2.250 8.850 -14.724 217 HA2 GLY 27 1HA GLY 27 1.184 10.849 -13.994 218 HA3 GLY 27 2HA GLY 27 0.478 11.028 -15.594 219 H GLU 28 H GLU 28 0.159 7.866 -14.850 220 HA GLU 28 HA GLU 28 -2.634 8.167 -14.132 221 HB2 GLU 28 1HB GLU 28 -1.966 6.501 -15.830 222 HB3 GLU 28 2HB GLU 28 -0.988 5.670 -14.630 223 HG2 GLU 28 1HG GLU 28 -3.054 4.489 -14.940 224 HG3 GLU 28 2HG GLU 28 -3.029 5.207 -13.331 225 H THR 29 H THR 29 -3.546 7.535 -12.207 226 HA THR 29 HA THR 29 -1.641 6.856 -10.067 227 HB THR 29 HB THR 29 -4.166 8.509 -9.855 228 HG1 THR 29 HG1 THR 29 -2.698 9.932 -10.551 229 HG21 THR 29 3HG2 THR 29 -3.501 8.874 -7.522 230 HG22 THR 29 1HG2 THR 29 -2.147 7.765 -7.734 231 HG23 THR 29 2HG2 THR 29 -3.802 7.166 -7.840 232 H ALA 30 H ALA 30 -1.883 4.841 -9.440 233 HA ALA 30 HA ALA 30 -4.363 3.407 -9.844 234 HB1 ALA 30 3HB ALA 30 -1.787 2.508 -8.550 235 HB2 ALA 30 1HB ALA 30 -2.203 2.311 -10.251 236 HB3 ALA 30 2HB ALA 30 -3.137 1.471 -9.014 237 H GLU 31 H GLU 31 -5.924 3.225 -8.408 238 HA GLU 31 HA GLU 31 -5.494 4.190 -5.682 239 HB2 GLU 31 1HB GLU 31 -7.606 4.404 -7.522 240 HB3 GLU 31 2HB GLU 31 -8.195 3.315 -6.275 241 HG2 GLU 31 1HG GLU 31 -6.980 5.994 -5.675 242 HG3 GLU 31 2HG GLU 31 -8.701 5.753 -5.953 243 H ILE 32 H ILE 32 -4.616 2.619 -4.465 244 HA ILE 32 HA ILE 32 -5.740 -0.090 -4.681 245 HB ILE 32 HB ILE 32 -3.158 0.761 -3.353 246 HG12 ILE 32 1HG1 ILE 32 -3.607 -0.625 -6.012 247 HG13 ILE 32 2HG1 ILE 32 -3.112 1.052 -5.811 248 HG21 ILE 32 1HG2 ILE 32 -4.107 -1.246 -2.360 249 HG22 ILE 32 2HG2 ILE 32 -2.674 -1.651 -3.305 250 HG23 ILE 32 3HG2 ILE 32 -4.281 -1.976 -3.956 251 HD11 ILE 32 3HD1 ILE 32 -1.225 -0.355 -6.371 252 HD12 ILE 32 1HD1 ILE 32 -1.538 -1.365 -4.960 253 HD13 ILE 32 2HD1 ILE 32 -1.042 0.315 -4.751 254 H ARG 33 H ARG 33 -7.487 -0.073 -3.379 255 HA ARG 33 HA ARG 33 -7.270 1.064 -0.712 256 HB2 ARG 33 1HB ARG 33 -9.628 -0.208 -2.107 257 HB3 ARG 33 2HB ARG 33 -9.678 0.613 -0.551 258 HG2 ARG 33 1HG ARG 33 -9.095 2.704 -1.576 259 HG3 ARG 33 2HG ARG 33 -8.859 1.916 -3.136 260 HD2 ARG 33 1HD ARG 33 -11.255 1.247 -3.078 261 HD3 ARG 33 2HD ARG 33 -11.440 2.224 -1.618 262 HE ARG 33 HE ARG 33 -10.381 4.003 -3.319 263 HH11 ARG 33 1HH1 ARG 33 -12.994 1.699 -3.743 264 HH12 ARG 33 2HH1 ARG 33 -13.864 2.699 -4.870 265 HH21 ARG 33 1HH2 ARG 33 -11.502 5.304 -4.798 266 HH22 ARG 33 2HH2 ARG 33 -12.999 4.752 -5.488 267 H CYS 34 H CYS 34 -6.874 -0.075 1.027 268 HA CYS 34 HA CYS 34 -7.057 -3.008 0.843 269 HB2 CYS 34 1HB CYS 34 -5.210 -1.371 2.598 270 HB3 CYS 34 2HB CYS 34 -5.234 -3.125 2.458 271 HG CYS 34 HG CYS 34 -4.252 -0.900 0.052 272 H GLN 35 H GLN 35 -8.034 -4.099 2.558 273 HA GLN 35 HA GLN 35 -9.512 -2.324 4.396 274 HB2 GLN 35 1HB GLN 35 -10.644 -3.822 2.458 275 HB3 GLN 35 2HB GLN 35 -10.602 -5.012 3.750 276 HG2 GLN 35 1HG GLN 35 -11.970 -2.333 3.785 277 HG3 GLN 35 2HG GLN 35 -12.728 -3.922 3.750 278 HE21 GLN 35 2HE2 GLN 35 -12.704 -5.199 5.611 279 HE22 GLN 35 1HE2 GLN 35 -12.412 -4.514 7.183 280 H LEU 36 H LEU 36 -8.689 -2.510 6.356 281 HA LEU 36 HA LEU 36 -7.417 -4.953 7.249 282 HB2 LEU 36 1HB LEU 36 -6.464 -2.819 7.937 283 HB3 LEU 36 2HB LEU 36 -7.981 -2.357 8.687 284 HG LEU 36 HG LEU 36 -7.529 -4.639 10.021 285 HD11 LEU 36 1HD1 LEU 36 -5.437 -5.130 8.911 286 HD12 LEU 36 2HD1 LEU 36 -5.160 -4.774 10.616 287 HD13 LEU 36 3HD1 LEU 36 -4.788 -3.560 9.391 288 HD21 LEU 36 3HD2 LEU 36 -6.601 -3.247 11.821 289 HD22 LEU 36 1HD2 LEU 36 -8.013 -2.529 11.047 290 HD23 LEU 36 2HD2 LEU 36 -6.397 -1.928 10.667 291 H HIS 37 H HIS 37 -8.541 -6.581 8.077 292 HA HIS 37 HA HIS 37 -11.225 -6.199 9.017 293 HB2 HIS 37 1HB HIS 37 -9.410 -8.607 8.957 294 HB3 HIS 37 2HB HIS 37 -11.007 -8.648 9.694 295 HD1 HIS 37 HD1 HIS 37 -11.729 -10.424 7.934 296 HD2 HIS 37 HD2 HIS 37 -10.709 -6.719 6.338 297 HE1 HIS 37 HE1 HIS 37 -12.561 -10.452 5.561 298 HE2 HIS 37 HE2 HIS 37 -12.016 -8.172 4.636 299 H ARG 38 H ARG 38 -11.452 -5.096 10.796 300 HA ARG 38 HA ARG 38 -10.095 -6.027 13.217 301 HB2 ARG 38 1HB ARG 38 -8.797 -4.126 12.563 302 HB3 ARG 38 2HB ARG 38 -10.238 -3.185 12.205 303 HG2 ARG 38 1HG ARG 38 -10.803 -3.368 14.666 304 HG3 ARG 38 2HG ARG 38 -9.164 -3.986 14.889 305 HD2 ARG 38 1HD ARG 38 -8.198 -1.969 14.120 306 HD3 ARG 38 2HD ARG 38 -9.742 -1.382 13.502 307 HE ARG 38 HE ARG 38 -9.567 -1.870 16.366 308 HH11 ARG 38 1HH1 ARG 38 -9.507 0.484 13.748 309 HH12 ARG 38 2HH1 ARG 38 -9.867 1.824 14.804 310 HH21 ARG 38 1HH2 ARG 38 -10.097 -0.143 17.705 311 HH22 ARG 38 2HH2 ARG 38 -10.194 1.473 17.059 312 H ASP 39 H ASP 39 -11.808 -6.824 14.284 313 HA ASP 39 HA ASP 39 -14.279 -5.281 14.415 314 HB2 ASP 39 1HB ASP 39 -13.500 -8.046 15.275 315 HB3 ASP 39 2HB ASP 39 -14.917 -7.281 15.985 316 H GLY 40 H GLY 40 -12.046 -6.789 16.772 317 HA2 GLY 40 1HA GLY 40 -12.366 -4.414 18.446 318 HA3 GLY 40 2HA GLY 40 -12.892 -5.943 19.123 319 H ARG 41 H ARG 41 -11.052 -7.737 18.714 320 HA ARG 41 HA ARG 41 -9.164 -8.527 19.684 321 HB2 ARG 41 1HB ARG 41 -8.062 -7.232 17.879 322 HB3 ARG 41 2HB ARG 41 -8.000 -5.829 18.933 323 HG2 ARG 41 1HG ARG 41 -5.929 -6.546 19.379 324 HG3 ARG 41 2HG ARG 41 -6.736 -7.682 20.460 325 HD2 ARG 41 1HD ARG 41 -6.293 -8.373 17.581 326 HD3 ARG 41 2HD ARG 41 -4.991 -8.552 18.749 327 HE ARG 41 HE ARG 41 -7.174 -9.857 19.839 328 HH11 ARG 41 1HH1 ARG 41 -5.223 -10.124 16.933 329 HH12 ARG 41 2HH1 ARG 41 -5.413 -11.841 16.802 330 HH21 ARG 41 1HH2 ARG 41 -7.410 -12.134 19.689 331 HH22 ARG 41 2HH2 ARG 41 -6.637 -12.988 18.391 332 H PHE 42 H PHE 42 -8.079 -5.385 20.658 333 HA PHE 42 HA PHE 42 -9.697 -4.910 22.863 334 HB2 PHE 42 1HB PHE 42 -8.100 -5.351 24.725 335 HB3 PHE 42 2HB PHE 42 -8.738 -6.808 23.983 336 HD1 PHE 42 HD2 PHE 42 -5.766 -4.740 24.510 337 HD2 PHE 42 HD1 PHE 42 -7.297 -8.310 22.772 338 HE1 PHE 42 HE2 PHE 42 -3.471 -5.598 24.259 339 HE2 PHE 42 HE1 PHE 42 -5.013 -9.175 22.524 340 HZ PHE 42 HZ PHE 42 -3.095 -7.823 23.265 341 H GLU 43 H GLU 43 -9.554 -2.829 23.235 342 HA GLU 43 HA GLU 43 -8.942 -0.664 23.011 343 HB2 GLU 43 1HB GLU 43 -6.135 -1.765 23.260 344 HB3 GLU 43 2HB GLU 43 -6.577 -0.070 23.402 345 HG2 GLU 43 1HG GLU 43 -7.406 -2.308 25.232 346 HG3 GLU 43 2HG GLU 43 -6.266 -1.013 25.589 347 H GLU 44 H GLU 44 -7.189 0.780 21.653 348 HA GLU 44 HA GLU 44 -7.413 -0.259 18.918 349 HB2 GLU 44 1HB GLU 44 -6.949 2.592 19.814 350 HB3 GLU 44 2HB GLU 44 -7.206 2.049 18.161 351 HG2 GLU 44 1HG GLU 44 -9.457 1.168 19.004 352 HG3 GLU 44 2HG GLU 44 -9.167 2.185 20.418 353 H THR 45 H THR 45 -5.568 -1.596 19.309 354 HA THR 45 HA THR 45 -3.024 -0.493 19.868 355 HB THR 45 HB THR 45 -3.609 -2.923 20.135 356 HG1 THR 45 HG1 THR 45 -1.454 -3.487 18.897 357 HG21 THR 45 3HG2 THR 45 -3.374 -4.385 18.173 358 HG22 THR 45 1HG2 THR 45 -3.247 -2.964 17.135 359 HG23 THR 45 2HG2 THR 45 -4.747 -3.290 18.006 360 H LYS 46 H LYS 46 -1.287 -0.100 18.453 361 HA LYS 46 HA LYS 46 -2.208 1.214 16.052 362 HB2 LYS 46 1HB LYS 46 0.435 1.157 17.497 363 HB3 LYS 46 2HB LYS 46 0.259 1.920 15.926 364 HG2 LYS 46 1HG LYS 46 0.115 3.590 17.637 365 HG3 LYS 46 2HG LYS 46 -1.467 3.409 16.880 366 HD2 LYS 46 1HD LYS 46 -2.195 2.006 18.756 367 HD3 LYS 46 2HD LYS 46 -0.611 2.192 19.508 368 HE2 LYS 46 1HE LYS 46 -2.448 4.487 18.860 369 HE3 LYS 46 2HE LYS 46 -2.396 3.681 20.426 370 HZ1 LYS 46 3HZ LYS 46 -0.158 5.134 19.122 371 HZ2 LYS 46 1HZ LYS 46 -0.040 4.284 20.587 372 HZ3 LYS 46 2HZ LYS 46 -1.043 5.648 20.471 373 H TYR 47 H TYR 47 -2.166 0.386 14.100 374 HA TYR 47 HA TYR 47 -0.503 -1.959 13.541 375 HB2 TYR 47 1HB TYR 47 -2.722 -0.705 11.900 376 HB3 TYR 47 2HB TYR 47 -1.870 -2.193 11.503 377 HD1 TYR 47 HD2 TYR 47 -2.206 -4.214 12.893 378 HD2 TYR 47 HD1 TYR 47 -4.493 -0.680 13.503 379 HE1 TYR 47 HE2 TYR 47 -3.850 -5.503 14.189 380 HE2 TYR 47 HE1 TYR 47 -6.141 -1.960 14.800 381 HH TYR 47 HH TYR 47 -5.549 -5.121 15.893 382 H PHE 48 H PHE 48 0.990 -1.948 11.809 383 HA PHE 48 HA PHE 48 1.713 0.765 10.918 384 HB2 PHE 48 1HB PHE 48 3.546 -1.397 11.954 385 HB3 PHE 48 2HB PHE 48 4.113 0.047 11.119 386 HD1 PHE 48 HD2 PHE 48 3.680 2.287 12.132 387 HD2 PHE 48 HD1 PHE 48 2.986 -1.348 14.234 388 HE1 PHE 48 HE2 PHE 48 3.684 3.522 14.258 389 HE2 PHE 48 HE1 PHE 48 2.987 -0.119 16.367 390 HZ PHE 48 HZ PHE 48 3.336 2.321 16.380 391 H ILE 49 H ILE 49 2.896 0.931 8.984 392 HA ILE 49 HA ILE 49 2.786 -1.414 7.217 393 HB ILE 49 HB ILE 49 0.789 -0.071 6.774 394 HG12 ILE 49 1HG1 ILE 49 2.850 0.241 4.580 395 HG13 ILE 49 2HG1 ILE 49 1.904 -1.213 4.891 396 HG21 ILE 49 1HG2 ILE 49 2.700 2.192 6.211 397 HG22 ILE 49 2HG2 ILE 49 1.581 2.086 7.569 398 HG23 ILE 49 3HG2 ILE 49 0.961 2.221 5.923 399 HD11 ILE 49 3HD1 ILE 49 0.995 0.067 3.037 400 HD12 ILE 49 1HD1 ILE 49 0.798 1.468 4.089 401 HD13 ILE 49 2HD1 ILE 49 -0.141 0.003 4.383 402 H ARG 50 H ARG 50 4.488 -1.581 5.797 403 HA ARG 50 HA ARG 50 6.332 0.686 5.550 404 HB2 ARG 50 1HB ARG 50 6.981 -1.020 7.411 405 HB3 ARG 50 2HB ARG 50 7.432 -2.064 6.071 406 HG2 ARG 50 1HG ARG 50 9.052 -0.467 5.299 407 HG3 ARG 50 2HG ARG 50 8.518 0.713 6.496 408 HD2 ARG 50 1HD ARG 50 10.538 -0.302 7.283 409 HD3 ARG 50 2HD ARG 50 9.202 -0.873 8.280 410 HE ARG 50 HE ARG 50 9.988 -2.560 6.040 411 HH11 ARG 50 1HH1 ARG 50 10.168 -1.932 9.490 412 HH12 ARG 50 2HH1 ARG 50 10.732 -3.531 9.879 413 HH21 ARG 50 1HH2 ARG 50 10.767 -4.654 6.553 414 HH22 ARG 50 2HH2 ARG 50 11.037 -5.085 8.216 415 H TYR 51 H TYR 51 7.951 0.277 3.750 416 HA TYR 51 HA TYR 51 6.783 -1.464 1.699 417 HB2 TYR 51 1HB TYR 51 7.399 1.470 1.430 418 HB3 TYR 51 2HB TYR 51 7.215 0.408 0.042 419 HD1 TYR 51 HD1 TYR 51 5.040 -0.612 -0.454 420 HD2 TYR 51 HD2 TYR 51 5.509 2.242 2.663 421 HE1 TYR 51 HE1 TYR 51 2.613 -0.242 -0.440 422 HE2 TYR 51 HE2 TYR 51 3.083 2.617 2.689 423 HH TYR 51 HH TYR 51 1.186 2.379 1.110 424 H PHE 52 H PHE 52 8.135 -1.814 -0.142 425 HA PHE 52 HA PHE 52 10.845 -0.823 -0.137 426 HB2 PHE 52 1HB PHE 52 11.030 -2.937 1.177 427 HB3 PHE 52 2HB PHE 52 10.327 -3.810 -0.182 428 HD1 PHE 52 HD1 PHE 52 13.257 -1.926 0.982 429 HD2 PHE 52 HD2 PHE 52 11.635 -4.372 -2.108 430 HE1 PHE 52 HE1 PHE 52 15.502 -2.188 0.014 431 HE2 PHE 52 HE2 PHE 52 13.879 -4.641 -3.074 432 HZ PHE 52 HZ PHE 52 15.814 -3.550 -2.012 433 H GLN 53 H GLN 53 10.911 0.010 -2.143 434 HA GLN 53 HA GLN 53 9.939 -1.639 -4.347 435 HB2 GLN 53 1HB GLN 53 8.785 0.283 -5.365 436 HB3 GLN 53 2HB GLN 53 8.080 -0.175 -3.822 437 HG2 GLN 53 1HG GLN 53 9.399 1.673 -2.773 438 HG3 GLN 53 2HG GLN 53 9.856 2.178 -4.398 439 HE21 GLN 53 2HE2 GLN 53 8.226 2.918 -5.815 440 HE22 GLN 53 1HE2 GLN 53 6.756 3.572 -5.191 441 HA PRO 54 HA PRO 54 13.898 -0.288 -5.925 442 HB2 PRO 54 1HB PRO 54 13.138 -1.964 -8.219 443 HB3 PRO 54 2HB PRO 54 14.510 -2.123 -7.120 444 HG2 PRO 54 1HG PRO 54 12.467 -3.850 -7.052 445 HG3 PRO 54 2HG PRO 54 13.299 -3.337 -5.574 446 HD2 PRO 54 1HD PRO 54 10.698 -2.359 -6.706 447 HD3 PRO 54 2HD PRO 54 11.093 -2.809 -5.031 448 H ASP 55 H ASP 55 10.778 -0.034 -7.478 449 HA ASP 55 HA ASP 55 11.683 1.403 -9.766 450 HB2 ASP 55 1HB ASP 55 9.271 2.113 -9.985 451 HB3 ASP 55 2HB ASP 55 9.552 0.380 -9.984 452 H GLY 56 H GLY 56 12.299 3.411 -9.967 453 HA2 GLY 56 1HA GLY 56 12.085 5.132 -7.599 454 HA3 GLY 56 2HA GLY 56 13.297 5.274 -8.859 455 H ALA 57 H ALA 57 11.025 4.955 -10.904 456 HA ALA 57 HA ALA 57 10.401 7.808 -10.901 457 HB1 ALA 57 3HB ALA 57 11.448 6.939 -12.910 458 HB2 ALA 57 1HB ALA 57 9.814 7.501 -13.253 459 HB3 ALA 57 2HB ALA 57 10.140 5.775 -13.109 460 H GLY 58 H GLY 58 8.798 7.813 -9.378 461 HA2 GLY 58 1HA GLY 58 6.167 7.680 -10.216 462 HA3 GLY 58 2HA GLY 58 6.508 6.151 -9.410 463 H THR 59 H THR 59 4.650 7.456 -8.148 464 HA THR 59 HA THR 59 5.998 8.316 -5.716 465 HB THR 59 HB THR 59 3.831 10.037 -6.935 466 HG1 THR 59 HG1 THR 59 6.528 9.975 -7.351 467 HG21 THR 59 3HG2 THR 59 5.644 10.494 -4.557 468 HG22 THR 59 1HG2 THR 59 3.934 10.066 -4.472 469 HG23 THR 59 2HG2 THR 59 4.423 11.614 -5.162 470 H LEU 60 H LEU 60 4.957 7.647 -3.920 471 HA LEU 60 HA LEU 60 2.275 6.480 -4.254 472 HB2 LEU 60 1HB LEU 60 3.950 4.731 -4.043 473 HB3 LEU 60 2HB LEU 60 4.588 5.480 -2.592 474 HG LEU 60 HG LEU 60 2.452 5.003 -1.432 475 HD11 LEU 60 1HD1 LEU 60 0.979 4.972 -3.372 476 HD12 LEU 60 2HD1 LEU 60 0.852 3.468 -2.457 477 HD13 LEU 60 3HD1 LEU 60 1.774 3.512 -3.961 478 HD21 LEU 60 3HD2 LEU 60 2.806 2.589 -1.238 479 HD22 LEU 60 1HD2 LEU 60 4.333 3.474 -1.239 480 HD23 LEU 60 2HD2 LEU 60 3.806 2.621 -2.690 481 H LYS 61 H LYS 61 0.780 7.404 -3.027 482 HA LYS 61 HA LYS 61 1.632 8.706 -0.520 483 HB2 LYS 61 1HB LYS 61 -0.682 9.536 -2.274 484 HB3 LYS 61 2HB LYS 61 -0.146 10.335 -0.807 485 HG2 LYS 61 1HG LYS 61 2.036 10.775 -2.002 486 HG3 LYS 61 2HG LYS 61 1.220 10.240 -3.477 487 HD2 LYS 61 1HD LYS 61 -0.560 11.941 -2.987 488 HD3 LYS 61 2HD LYS 61 0.472 12.553 -1.696 489 HE2 LYS 61 1HE LYS 61 1.018 13.952 -3.442 490 HE3 LYS 61 2HE LYS 61 2.264 12.712 -3.571 491 HZ1 LYS 61 3HZ LYS 61 -0.253 12.748 -5.144 492 HZ2 LYS 61 1HZ LYS 61 1.036 11.658 -5.331 493 HZ3 LYS 61 2HZ LYS 61 1.248 13.298 -5.710 494 H MET 62 H MET 62 0.135 8.662 1.205 495 HA MET 62 HA MET 62 -1.749 6.435 1.194 496 HB2 MET 62 1HB MET 62 -0.194 6.919 3.128 497 HB3 MET 62 2HB MET 62 -1.104 8.394 3.413 498 HG2 MET 62 1HG MET 62 -3.144 6.951 3.702 499 HG3 MET 62 2HG MET 62 -2.063 5.558 3.674 500 HE1 MET 62 3HE MET 62 0.512 6.755 5.201 501 HE2 MET 62 1HE MET 62 -0.144 5.142 5.485 502 HE3 MET 62 2HE MET 62 0.163 6.221 6.846 503 H SER 63 H SER 63 -3.985 6.914 2.156 504 HA SER 63 HA SER 63 -5.419 8.758 0.687 505 HB2 SER 63 1HB SER 63 -7.111 8.466 2.670 506 HB3 SER 63 2HB SER 63 -6.702 7.089 1.647 507 HG SER 63 HG SER 63 -6.507 7.179 4.227 508 H ASP 64 H ASP 64 -3.581 9.314 3.575 509 HA ASP 64 HA ASP 64 -4.817 11.807 4.268 510 HB2 ASP 64 1HB ASP 64 -3.664 10.476 5.969 511 HB3 ASP 64 2HB ASP 64 -2.151 10.623 5.083 512 H GLY 65 H GLY 65 -2.547 10.836 1.921 513 HA2 GLY 65 1HA GLY 65 -1.702 12.326 0.260 514 HA3 GLY 65 2HA GLY 65 -1.789 13.635 1.431 515 H THR 66 H THR 66 -0.641 11.287 3.227 516 HA THR 66 HA THR 66 2.008 12.167 3.356 517 HB THR 66 HB THR 66 0.876 9.503 4.253 518 HG1 THR 66 HG1 THR 66 0.991 12.074 5.467 519 HG21 THR 66 3HG2 THR 66 2.710 9.465 5.849 520 HG22 THR 66 1HG2 THR 66 3.310 11.004 5.230 521 HG23 THR 66 2HG2 THR 66 3.340 9.571 4.205 522 H VAL 67 H VAL 67 3.625 11.850 1.985 523 HA VAL 67 HA VAL 67 3.516 9.824 -0.051 524 HB VAL 67 HB VAL 67 5.795 11.658 0.721 525 HG11 VAL 67 1HG1 VAL 67 6.597 9.697 -0.469 526 HG12 VAL 67 2HG1 VAL 67 6.700 11.124 -1.500 527 HG13 VAL 67 3HG1 VAL 67 5.401 9.955 -1.740 528 HG21 VAL 67 3HG2 VAL 67 3.859 12.909 -0.005 529 HG22 VAL 67 1HG2 VAL 67 3.699 11.888 -1.436 530 HG23 VAL 67 2HG2 VAL 67 5.097 12.954 -1.260 531 H LEU 68 H LEU 68 4.063 7.798 0.217 532 HA LEU 68 HA LEU 68 5.294 6.990 2.717 533 HB2 LEU 68 1HB LEU 68 4.099 5.364 0.471 534 HB3 LEU 68 2HB LEU 68 4.630 4.724 2.016 535 HG LEU 68 HG LEU 68 2.477 6.823 1.809 536 HD11 LEU 68 1HD1 LEU 68 2.138 3.831 1.891 537 HD12 LEU 68 2HD1 LEU 68 1.755 4.882 0.527 538 HD13 LEU 68 3HD1 LEU 68 0.846 5.023 2.032 539 HD21 LEU 68 3HD2 LEU 68 1.893 6.018 4.033 540 HD22 LEU 68 1HD2 LEU 68 3.569 6.565 3.981 541 HD23 LEU 68 2HD2 LEU 68 3.203 4.839 3.962 542 H LEU 69 H LEU 69 7.439 6.998 2.787 543 HA LEU 69 HA LEU 69 8.942 6.188 0.398 544 HB2 LEU 69 1HB LEU 69 9.855 7.694 2.852 545 HB3 LEU 69 2HB LEU 69 10.862 7.300 1.474 546 HG LEU 69 HG LEU 69 8.449 9.116 1.398 547 HD11 LEU 69 1HD1 LEU 69 10.292 10.096 2.651 548 HD12 LEU 69 2HD1 LEU 69 10.085 10.907 1.098 549 HD13 LEU 69 3HD1 LEU 69 11.396 9.747 1.320 550 HD21 LEU 69 3HD2 LEU 69 8.830 7.952 -0.714 551 HD22 LEU 69 1HD2 LEU 69 10.517 8.471 -0.703 552 HD23 LEU 69 2HD2 LEU 69 9.227 9.666 -0.855 553 HA PRO 70 HA PRO 70 9.948 2.413 2.555 554 HB2 PRO 70 1HB PRO 70 11.920 1.597 0.851 555 HB3 PRO 70 2HB PRO 70 10.196 1.393 0.522 556 HG2 PRO 70 1HG PRO 70 12.089 3.472 -0.491 557 HG3 PRO 70 2HG PRO 70 10.793 2.619 -1.351 558 HD2 PRO 70 1HD PRO 70 10.528 5.151 -0.426 559 HD3 PRO 70 2HD PRO 70 9.162 4.025 -0.536 560 H ASN 71 H ASN 71 10.822 3.390 4.412 561 HA ASN 71 HA ASN 71 13.627 3.016 4.741 562 HB2 ASN 71 1HB ASN 71 13.739 5.222 3.707 563 HB3 ASN 71 2HB ASN 71 12.563 5.848 4.855 564 HD21 ASN 71 2HD2 ASN 71 15.835 4.726 4.428 565 HD22 ASN 71 1HD2 ASN 71 16.469 5.426 5.881 566 H ASP 72 H ASP 72 11.013 4.983 6.179 567 HA ASP 72 HA ASP 72 11.590 3.661 8.736 568 HB2 ASP 72 1HB ASP 72 10.517 5.560 9.828 569 HB3 ASP 72 2HB ASP 72 11.813 6.106 8.773 570 H LEU 73 H LEU 73 9.315 4.037 10.123 571 HA LEU 73 HA LEU 73 7.506 2.228 8.672 572 HB2 LEU 73 1HB LEU 73 8.757 1.224 10.544 573 HB3 LEU 73 2HB LEU 73 8.061 2.408 11.632 574 HG LEU 73 HG LEU 73 5.833 1.479 11.250 575 HD11 LEU 73 1HD1 LEU 73 5.560 -0.602 9.990 576 HD12 LEU 73 2HD1 LEU 73 7.256 -0.534 9.510 577 HD13 LEU 73 3HD1 LEU 73 6.132 0.708 8.956 578 HD21 LEU 73 3HD2 LEU 73 6.177 -0.668 12.369 579 HD22 LEU 73 1HD2 LEU 73 7.182 0.599 13.072 580 HD23 LEU 73 2HD2 LEU 73 7.897 -0.593 11.984 581 H TYR 74 H TYR 74 5.557 3.002 8.247 582 HA TYR 74 HA TYR 74 4.598 5.343 9.736 583 HB2 TYR 74 1HB TYR 74 3.610 4.216 7.101 584 HB3 TYR 74 2HB TYR 74 3.107 5.733 7.839 585 HD1 TYR 74 HD2 TYR 74 4.999 7.475 8.265 586 HD2 TYR 74 HD1 TYR 74 5.337 4.216 5.550 587 HE1 TYR 74 HE2 TYR 74 6.821 8.641 7.098 588 HE2 TYR 74 HE1 TYR 74 7.165 5.372 4.382 589 HH TYR 74 HH TYR 74 8.883 7.796 5.629 590 HA PRO 75 HA PRO 75 1.284 2.808 11.344 591 HB2 PRO 75 1HB PRO 75 -0.253 4.715 12.415 592 HB3 PRO 75 2HB PRO 75 1.346 4.349 13.070 593 HG2 PRO 75 1HG PRO 75 0.471 6.629 11.368 594 HG3 PRO 75 2HG PRO 75 1.685 6.588 12.658 595 HD2 PRO 75 1HD PRO 75 2.186 6.467 9.896 596 HD3 PRO 75 2HD PRO 75 3.341 6.100 11.191 597 H LEU 76 H LEU 76 -1.067 2.511 11.184 598 HA LEU 76 HA LEU 76 -2.101 3.405 8.593 599 HB2 LEU 76 1HB LEU 76 -3.021 1.217 10.462 600 HB3 LEU 76 2HB LEU 76 -3.839 1.646 8.970 601 HG LEU 76 HG LEU 76 -1.015 0.589 9.167 602 HD11 LEU 76 1HD1 LEU 76 -3.551 -0.741 8.223 603 HD12 LEU 76 2HD1 LEU 76 -2.690 -1.099 9.722 604 HD13 LEU 76 3HD1 LEU 76 -1.931 -1.436 8.165 605 HD21 LEU 76 3HD2 LEU 76 -1.181 0.410 6.719 606 HD22 LEU 76 1HD2 LEU 76 -1.295 2.083 7.269 607 HD23 LEU 76 2HD2 LEU 76 -2.750 1.213 6.777 608 HA PRO 77 HA PRO 77 -4.772 6.219 10.725 609 HB2 PRO 77 1HB PRO 77 -6.205 7.101 8.640 610 HB3 PRO 77 2HB PRO 77 -4.486 7.477 8.808 611 HG2 PRO 77 1HG PRO 77 -5.816 5.426 7.089 612 HG3 PRO 77 2HG PRO 77 -4.455 6.496 6.708 613 HD2 PRO 77 1HD PRO 77 -4.205 3.850 7.448 614 HD3 PRO 77 2HD PRO 77 -2.930 5.070 7.628 615 H GLY 78 H GLY 78 -5.771 3.258 9.575 616 HA2 GLY 78 1HA GLY 78 -7.879 2.819 11.178 617 HA3 GLY 78 2HA GLY 78 -8.620 3.698 9.845 618 H GLU 79 H GLU 79 -9.870 1.745 9.556 619 HA GLU 79 HA GLU 79 -8.459 -0.615 8.630 620 HB2 GLU 79 1HB GLU 79 -11.416 -0.063 8.950 621 HB3 GLU 79 2HB GLU 79 -10.736 -1.608 8.468 622 HG2 GLU 79 1HG GLU 79 -11.216 -1.833 10.740 623 HG3 GLU 79 2HG GLU 79 -9.476 -1.579 10.664 624 H THR 80 H THR 80 -10.662 1.823 7.337 625 HA THR 80 HA THR 80 -10.671 0.543 4.724 626 HB THR 80 HB THR 80 -12.295 2.530 4.272 627 HG1 THR 80 HG1 THR 80 -11.950 3.769 6.099 628 HG21 THR 80 3HG2 THR 80 -13.009 0.323 6.211 629 HG22 THR 80 1HG2 THR 80 -12.991 0.191 4.453 630 HG23 THR 80 2HG2 THR 80 -14.154 1.255 5.245 631 H PHE 81 H PHE 81 -8.163 1.516 5.221 632 HA PHE 81 HA PHE 81 -7.903 4.199 4.172 633 HB2 PHE 81 1HB PHE 81 -5.474 3.841 4.438 634 HB3 PHE 81 2HB PHE 81 -6.359 3.475 5.914 635 HD1 PHE 81 HD2 PHE 81 -6.729 1.105 6.563 636 HD2 PHE 81 HD1 PHE 81 -4.189 2.202 3.330 637 HE1 PHE 81 HE2 PHE 81 -5.682 -1.118 6.641 638 HE2 PHE 81 HE1 PHE 81 -3.135 -0.021 3.402 639 HZ PHE 81 HZ PHE 81 -3.884 -1.687 5.059 640 H ARG 82 H ARG 82 -6.262 4.582 2.377 641 HA ARG 82 HA ARG 82 -6.291 2.516 0.321 642 HB2 ARG 82 1HB ARG 82 -7.223 3.992 -1.372 643 HB3 ARG 82 2HB ARG 82 -8.357 3.807 -0.040 644 HG2 ARG 82 1HG ARG 82 -7.434 5.987 0.857 645 HG3 ARG 82 2HG ARG 82 -6.640 6.174 -0.710 646 HD2 ARG 82 1HD ARG 82 -8.749 7.354 -0.706 647 HD3 ARG 82 2HD ARG 82 -8.824 5.985 -1.817 648 HE ARG 82 HE ARG 82 -10.157 4.823 -0.186 649 HH11 ARG 82 1HH1 ARG 82 -9.665 8.238 0.407 650 HH12 ARG 82 2HH1 ARG 82 -11.048 8.383 1.458 651 HH21 ARG 82 1HH2 ARG 82 -11.952 4.997 1.217 652 HH22 ARG 82 2HH2 ARG 82 -12.342 6.537 1.925 653 H LEU 83 H LEU 83 -4.905 3.068 -1.519 654 HA LEU 83 HA LEU 83 -2.659 4.800 -0.709 655 HB2 LEU 83 1HB LEU 83 -2.421 2.115 -2.067 656 HB3 LEU 83 2HB LEU 83 -1.115 3.116 -1.462 657 HG LEU 83 HG LEU 83 -3.206 1.850 0.308 658 HD11 LEU 83 1HD1 LEU 83 -0.408 0.905 -0.286 659 HD12 LEU 83 2HD1 LEU 83 -1.890 0.141 -0.860 660 HD13 LEU 83 3HD1 LEU 83 -1.532 0.187 0.868 661 HD21 LEU 83 3HD2 LEU 83 -1.640 2.371 2.098 662 HD22 LEU 83 1HD2 LEU 83 -2.102 3.836 1.232 663 HD23 LEU 83 2HD2 LEU 83 -0.530 3.095 0.935 664 H TYR 84 H TYR 84 -2.035 6.188 -2.247 665 HA TYR 84 HA TYR 84 -3.115 5.820 -4.961 666 HB2 TYR 84 1HB TYR 84 -2.202 8.316 -3.516 667 HB3 TYR 84 2HB TYR 84 -2.673 8.276 -5.210 668 HD1 TYR 84 HD1 TYR 84 -3.873 8.086 -1.746 669 HD2 TYR 84 HD2 TYR 84 -4.998 8.074 -5.851 670 HE1 TYR 84 HE1 TYR 84 -6.211 8.482 -1.104 671 HE2 TYR 84 HE2 TYR 84 -7.340 8.467 -5.215 672 HH TYR 84 HH TYR 84 -8.806 8.124 -3.272 673 H TYR 85 H TYR 85 -1.647 4.941 -6.308 674 HA TYR 85 HA TYR 85 1.139 5.874 -6.056 675 HB2 TYR 85 1HB TYR 85 0.927 3.453 -5.709 676 HB3 TYR 85 2HB TYR 85 0.135 3.288 -7.273 677 HD1 TYR 85 HD2 TYR 85 3.338 3.993 -5.586 678 HD2 TYR 85 HD1 TYR 85 1.402 3.298 -9.311 679 HE1 TYR 85 HE2 TYR 85 5.529 3.716 -6.669 680 HE2 TYR 85 HE1 TYR 85 3.585 3.020 -10.403 681 HH TYR 85 HH TYR 85 6.503 2.678 -8.648 682 H THR 86 H THR 86 1.597 7.379 -7.475 683 HA THR 86 HA THR 86 0.348 7.326 -10.125 684 HB THR 86 HB THR 86 2.125 9.478 -8.950 685 HG1 THR 86 HG1 THR 86 -0.730 9.457 -9.092 686 HG21 THR 86 3HG2 THR 86 1.107 10.895 -10.674 687 HG22 THR 86 1HG2 THR 86 0.179 9.515 -11.264 688 HG23 THR 86 2HG2 THR 86 1.937 9.516 -11.394 689 H SER 87 H SER 87 1.413 6.398 -11.742 690 HA SER 87 HA SER 87 4.209 5.688 -11.403 691 HB2 SER 87 1HB SER 87 3.715 4.519 -13.672 692 HB3 SER 87 2HB SER 87 2.954 3.888 -12.210 693 HG SER 87 HG SER 87 1.795 5.552 -14.201 694 H ALA 88 H ALA 88 5.909 6.462 -12.578 695 HA ALA 88 HA ALA 88 5.308 8.588 -14.535 696 HB1 ALA 88 3HB ALA 88 7.684 8.359 -12.691 697 HB2 ALA 88 1HB ALA 88 6.337 9.485 -12.524 698 HB3 ALA 88 2HB ALA 88 7.439 9.625 -13.895 699 H SER 89 H SER 89 6.042 5.521 -14.556 700 HA SER 89 HA SER 89 8.039 5.747 -16.714 701 HB2 SER 89 1HB SER 89 7.520 3.367 -14.907 702 HB3 SER 89 2HB SER 89 8.743 3.461 -16.173 703 HG SER 89 HG SER 89 8.610 5.038 -13.815 704 H THR 90 H THR 90 7.772 3.590 -18.202 705 HA THR 90 HA THR 90 5.243 3.916 -19.435 706 HB THR 90 HB THR 90 7.094 1.579 -19.899 707 HG1 THR 90 HG1 THR 90 8.024 3.148 -21.510 708 HG21 THR 90 3HG2 THR 90 6.301 1.807 -22.216 709 HG22 THR 90 1HG2 THR 90 5.278 3.157 -21.729 710 HG23 THR 90 2HG2 THR 90 4.963 1.540 -21.099 711 H ASP 91 H ASP 91 6.673 1.150 -17.671 712 HA ASP 91 HA ASP 91 4.298 0.931 -16.050 713 HB2 ASP 91 1HB ASP 91 5.129 -1.399 -17.782 714 HB3 ASP 91 2HB ASP 91 4.091 -1.531 -16.381 715 H GLN 92 H GLN 92 6.172 1.572 -14.746 716 HA GLN 92 HA GLN 92 7.752 -0.753 -13.928 717 HB2 GLN 92 1HB GLN 92 9.103 1.172 -14.706 718 HB3 GLN 92 2HB GLN 92 8.436 2.133 -13.394 719 HG2 GLN 92 1HG GLN 92 10.683 1.232 -12.917 720 HG3 GLN 92 2HG GLN 92 9.459 0.721 -11.755 721 HE21 GLN 92 2HE2 GLN 92 8.853 -1.437 -11.669 722 HE22 GLN 92 1HE2 GLN 92 9.740 -2.685 -12.465 723 H GLN 93 H GLN 93 6.508 -1.719 -12.363 724 HA GLN 93 HA GLN 93 6.591 -0.228 -9.884 725 HB2 GLN 93 1HB GLN 93 4.330 0.255 -10.648 726 HB3 GLN 93 2HB GLN 93 4.008 -1.462 -10.849 727 HG2 GLN 93 1HG GLN 93 4.041 -1.855 -8.537 728 HG3 GLN 93 2HG GLN 93 4.800 -0.301 -8.200 729 HE21 GLN 93 2HE2 GLN 93 3.191 0.241 -6.731 730 HE22 GLN 93 1HE2 GLN 93 1.608 0.703 -7.242 731 H THR 94 H THR 94 7.614 -1.436 -8.495 732 HA THR 94 HA THR 94 6.703 -4.197 -8.121 733 HB THR 94 HB THR 94 9.642 -3.440 -8.121 734 HG1 THR 94 HG1 THR 94 7.961 -4.271 -10.140 735 HG21 THR 94 3HG2 THR 94 10.008 -5.862 -7.947 736 HG22 THR 94 1HG2 THR 94 8.268 -6.125 -7.892 737 HG23 THR 94 2HG2 THR 94 9.071 -5.259 -6.581 738 H VAL 95 H VAL 95 5.782 -3.959 -6.152 739 HA VAL 95 HA VAL 95 7.266 -2.384 -4.151 740 HB VAL 95 HB VAL 95 4.260 -2.385 -4.444 741 HG11 VAL 95 1HG1 VAL 95 5.001 -1.977 -2.186 742 HG12 VAL 95 2HG1 VAL 95 4.378 -0.484 -2.890 743 HG13 VAL 95 3HG1 VAL 95 6.118 -0.731 -2.745 744 HG21 VAL 95 3HG2 VAL 95 6.228 -0.266 -5.300 745 HG22 VAL 95 1HG2 VAL 95 4.473 -0.090 -5.283 746 HG23 VAL 95 2HG2 VAL 95 5.231 -1.259 -6.362 747 H ASP 96 H ASP 96 7.819 -3.650 -2.513 748 HA ASP 96 HA ASP 96 6.116 -5.851 -1.663 749 HB2 ASP 96 1HB ASP 96 8.731 -4.751 -0.607 750 HB3 ASP 96 2HB ASP 96 7.854 -6.054 0.184 751 H VAL 97 H VAL 97 4.354 -5.362 -0.545 752 HA VAL 97 HA VAL 97 4.371 -2.968 1.155 753 HB VAL 97 HB VAL 97 1.968 -4.614 0.351 754 HG11 VAL 97 1HG1 VAL 97 0.719 -2.599 0.952 755 HG12 VAL 97 2HG1 VAL 97 2.225 -1.805 1.415 756 HG13 VAL 97 3HG1 VAL 97 1.656 -3.212 2.314 757 HG21 VAL 97 3HG2 VAL 97 3.091 -2.154 -0.989 758 HG22 VAL 97 1HG2 VAL 97 1.533 -2.897 -1.353 759 HG23 VAL 97 2HG2 VAL 97 3.025 -3.779 -1.669 760 H TYR 98 H TYR 98 4.531 -3.184 3.274 761 HA TYR 98 HA TYR 98 4.074 -5.842 4.448 762 HB2 TYR 98 1HB TYR 98 5.839 -3.548 5.321 763 HB3 TYR 98 2HB TYR 98 5.525 -4.959 6.324 764 HD1 TYR 98 HD1 TYR 98 6.814 -4.020 2.947 765 HD2 TYR 98 HD2 TYR 98 6.913 -6.805 6.160 766 HE1 TYR 98 HE1 TYR 98 8.665 -5.208 1.853 767 HE2 TYR 98 HE2 TYR 98 8.765 -8.000 5.075 768 HH TYR 98 HH TYR 98 10.374 -6.727 2.238 769 H PHE 99 H PHE 99 2.139 -5.987 5.378 770 HA PHE 99 HA PHE 99 1.201 -3.734 7.034 771 HB2 PHE 99 1HB PHE 99 -0.303 -6.143 5.968 772 HB3 PHE 99 2HB PHE 99 -0.990 -4.930 7.038 773 HD1 PHE 99 HD2 PHE 99 -1.041 -2.514 6.194 774 HD2 PHE 99 HD1 PHE 99 -0.405 -5.882 3.672 775 HE1 PHE 99 HE2 PHE 99 -1.737 -1.183 4.246 776 HE2 PHE 99 HE1 PHE 99 -1.100 -4.555 1.722 777 HZ PHE 99 HZ PHE 99 -1.769 -2.206 2.006 778 H GLN 100 H GLN 100 1.778 -3.964 9.128 779 HA GLN 100 HA GLN 100 1.784 -6.704 10.191 780 HB2 GLN 100 1HB GLN 100 3.717 -6.199 11.564 781 HB3 GLN 100 2HB GLN 100 4.089 -5.977 9.862 782 HG2 GLN 100 1HG GLN 100 3.910 -3.583 10.098 783 HG3 GLN 100 2HG GLN 100 3.421 -3.762 11.781 784 HE21 GLN 100 2HE2 GLN 100 5.709 -2.369 10.602 785 HE22 GLN 100 1HE2 GLN 100 7.106 -3.046 11.356 786 H ASP 101 H ASP 101 0.980 -7.059 12.088 787 HA ASP 101 HA ASP 101 -0.336 -4.887 13.522 788 HB2 ASP 101 1HB ASP 101 -1.907 -6.540 13.445 789 HB3 ASP 101 2HB ASP 101 -0.708 -7.818 13.277 790 H SER 102 H SER 102 -0.152 -4.827 15.871 791 HA SER 102 HA SER 102 2.479 -4.449 16.675 792 HB2 SER 102 1HB SER 102 1.380 -4.335 19.006 793 HB3 SER 102 2HB SER 102 0.835 -3.194 17.777 794 HG SER 102 HG SER 102 -0.610 -5.451 17.587 795 H PHE 103 H PHE 103 0.532 -7.346 16.839 796 HA PHE 103 HA PHE 103 2.296 -8.528 18.841 797 HB2 PHE 103 1HB PHE 103 -0.164 -9.706 17.536 798 HB3 PHE 103 2HB PHE 103 0.684 -10.339 18.946 799 HD1 PHE 103 HD2 PHE 103 0.937 -8.620 20.932 800 HD2 PHE 103 HD1 PHE 103 -2.018 -8.399 17.877 801 HE1 PHE 103 HE2 PHE 103 -0.463 -7.223 22.393 802 HE2 PHE 103 HE1 PHE 103 -3.420 -6.998 19.330 803 HZ PHE 103 HZ PHE 103 -2.643 -6.409 21.592 804 H GLY 104 H GLY 104 2.266 -8.202 15.545 805 HA2 GLY 104 1HA GLY 104 4.271 -9.032 14.453 806 HA3 GLY 104 2HA GLY 104 4.071 -10.529 15.345 807 H GLN 105 H GLN 105 1.089 -9.445 14.226 808 HA GLN 105 HA GLN 105 0.953 -11.502 12.237 809 HB2 GLN 105 1HB GLN 105 -1.009 -10.882 13.584 810 HB3 GLN 105 2HB GLN 105 -0.988 -9.270 12.884 811 HG2 GLN 105 1HG GLN 105 -2.700 -10.615 11.857 812 HG3 GLN 105 2HG GLN 105 -1.449 -10.223 10.683 813 HE21 GLN 105 2HE2 GLN 105 -1.027 -12.653 13.148 814 HE22 GLN 105 1HE2 GLN 105 -1.025 -14.022 12.081 815 H LEU 106 H LEU 106 2.090 -11.233 10.416 816 HA LEU 106 HA LEU 106 2.098 -8.566 9.170 817 HB2 LEU 106 1HB LEU 106 4.289 -9.123 9.977 818 HB3 LEU 106 2HB LEU 106 4.220 -10.703 9.224 819 HG LEU 106 HG LEU 106 4.215 -9.582 6.992 820 HD11 LEU 106 1HD1 LEU 106 3.327 -7.417 7.684 821 HD12 LEU 106 2HD1 LEU 106 4.869 -7.243 6.847 822 HD13 LEU 106 3HD1 LEU 106 4.798 -7.104 8.604 823 HD21 LEU 106 3HD2 LEU 106 6.545 -8.960 8.799 824 HD22 LEU 106 1HD2 LEU 106 6.589 -8.977 7.036 825 HD23 LEU 106 2HD2 LEU 106 6.273 -10.468 7.925 826 H GLN 107 H GLN 107 1.091 -8.433 7.301 827 HA GLN 107 HA GLN 107 1.018 -10.802 5.549 828 HB2 GLN 107 1HB GLN 107 -0.802 -8.395 5.676 829 HB3 GLN 107 2HB GLN 107 -0.812 -9.533 4.337 830 HG2 GLN 107 1HG GLN 107 -1.318 -11.340 5.984 831 HG3 GLN 107 2HG GLN 107 -1.515 -10.084 7.207 832 HE21 GLN 107 2HE2 GLN 107 -2.416 -9.644 3.876 833 HE22 GLN 107 1HE2 GLN 107 -4.124 -9.611 4.124 834 H GLN 108 H GLN 108 2.647 -10.715 4.148 835 HA GLN 108 HA GLN 108 3.552 -8.112 3.171 836 HB2 GLN 108 1HB GLN 108 5.017 -10.175 4.020 837 HB3 GLN 108 2HB GLN 108 4.866 -10.651 2.333 838 HG2 GLN 108 1HG GLN 108 5.702 -7.873 2.961 839 HG3 GLN 108 2HG GLN 108 6.867 -9.173 3.180 840 HE21 GLN 108 2HE2 GLN 108 8.188 -8.358 1.569 841 HE22 GLN 108 1HE2 GLN 108 7.781 -8.457 -0.114 842 H LEU 109 H LEU 109 2.720 -7.356 1.373 843 HA LEU 109 HA LEU 109 1.689 -9.263 -0.625 844 HB2 LEU 109 1HB LEU 109 0.908 -6.366 -0.298 845 HB3 LEU 109 2HB LEU 109 0.148 -7.556 -1.336 846 HG LEU 109 HG LEU 109 0.056 -7.474 1.683 847 HD11 LEU 109 1HD1 LEU 109 -1.383 -5.862 0.506 848 HD12 LEU 109 2HD1 LEU 109 -2.304 -7.086 1.377 849 HD13 LEU 109 3HD1 LEU 109 -2.128 -7.197 -0.374 850 HD21 LEU 109 3HD2 LEU 109 -1.157 -9.494 -0.198 851 HD22 LEU 109 1HD2 LEU 109 -1.401 -9.413 1.546 852 HD23 LEU 109 2HD2 LEU 109 0.200 -9.784 0.900 853 H THR 110 H THR 110 2.970 -9.459 -2.338 854 HA THR 110 HA THR 110 4.752 -7.237 -3.037 855 HB THR 110 HB THR 110 4.809 -10.035 -4.180 856 HG1 THR 110 HG1 THR 110 5.647 -9.072 -1.702 857 HG21 THR 110 3HG2 THR 110 7.158 -9.470 -4.661 858 HG22 THR 110 1HG2 THR 110 6.902 -7.859 -3.988 859 HG23 THR 110 2HG2 THR 110 6.045 -8.352 -5.450 860 H PHE 111 H PHE 111 4.034 -5.888 -4.566 861 HA PHE 111 HA PHE 111 2.319 -7.001 -6.694 862 HB2 PHE 111 1HB PHE 111 2.413 -4.186 -5.588 863 HB3 PHE 111 2HB PHE 111 1.453 -4.682 -6.976 864 HD1 PHE 111 HD2 PHE 111 -0.284 -6.544 -6.588 865 HD2 PHE 111 HD1 PHE 111 1.531 -4.305 -3.452 866 HE1 PHE 111 HE2 PHE 111 -2.142 -7.139 -5.090 867 HE2 PHE 111 HE1 PHE 111 -0.324 -4.898 -1.952 868 HZ PHE 111 HZ PHE 111 -2.166 -6.314 -2.769 869 H SER 112 H SER 112 3.365 -7.227 -8.554 870 HA SER 112 HA SER 112 5.163 -5.046 -9.383 871 HB2 SER 112 1HB SER 112 5.419 -7.909 -10.312 872 HB3 SER 112 2HB SER 112 6.563 -6.585 -10.550 873 HG SER 112 HG SER 112 6.093 -8.177 -8.306 874 H PHE 113 H PHE 113 4.192 -3.902 -10.894 875 HA PHE 113 HA PHE 113 2.038 -5.088 -12.451 876 HB2 PHE 113 1HB PHE 113 3.005 -2.240 -12.156 877 HB3 PHE 113 2HB PHE 113 1.713 -2.712 -13.251 878 HD1 PHE 113 HD2 PHE 113 2.396 -3.854 -9.766 879 HD2 PHE 113 HD1 PHE 113 -0.192 -1.724 -12.393 880 HE1 PHE 113 HE2 PHE 113 0.770 -3.591 -7.943 881 HE2 PHE 113 HE1 PHE 113 -1.821 -1.459 -10.568 882 HZ PHE 113 HZ PHE 113 -1.338 -2.390 -8.340 883 H ASN 114 H ASN 114 2.581 -6.111 -14.234 884 HA ASN 114 HA ASN 114 3.402 -6.545 -16.303 885 HB2 ASN 114 1HB ASN 114 2.845 -4.122 -16.712 886 HB3 ASN 114 2HB ASN 114 4.503 -3.722 -16.291 887 HD21 ASN 114 2HD2 ASN 114 6.110 -4.049 -17.773 888 HD22 ASN 114 1HD2 ASN 114 5.814 -4.550 -19.405 889 H ASN 115 H ASN 115 5.614 -6.549 -17.555 890 HA ASN 115 HA ASN 115 7.611 -7.452 -15.636 891 HB2 ASN 115 1HB ASN 115 8.698 -8.497 -17.552 892 HB3 ASN 115 2HB ASN 115 6.986 -8.903 -17.553 893 HD21 ASN 115 2HD2 ASN 115 9.558 -7.433 -19.244 894 HD22 ASN 115 1HD2 ASN 115 8.664 -6.937 -20.644 895 H ASP 116 H ASP 116 9.895 -7.074 -17.280 896 HA ASP 116 HA ASP 116 11.465 -5.579 -17.980 897 HB2 ASP 116 1HB ASP 116 9.222 -3.601 -17.730 898 HB3 ASP 116 2HB ASP 116 10.878 -3.048 -17.935 899 H SER 117 H SER 117 10.586 -6.301 -15.135 900 HA SER 117 HA SER 117 11.941 -4.215 -13.634 901 HB2 SER 117 1HB SER 117 9.939 -5.563 -12.754 902 HB3 SER 117 2HB SER 117 11.060 -6.913 -12.579 903 HG SER 117 HG SER 117 10.627 -5.175 -10.785 904 H SER 118 H SER 118 14.069 -4.153 -13.969 905 HA SER 118 HA SER 118 15.583 -6.353 -14.896 906 HB2 SER 118 1HB SER 118 16.477 -3.680 -13.804 907 HB3 SER 118 2HB SER 118 17.514 -4.824 -14.659 908 HG SER 118 HG SER 118 15.837 -2.985 -15.673 909 H LYS 119 H LYS 119 16.352 -7.979 -13.804 910 HA LYS 119 HA LYS 119 16.483 -7.978 -10.916 911 HB2 LYS 119 1HB LYS 119 17.385 -10.101 -12.872 912 HB3 LYS 119 2HB LYS 119 17.097 -10.318 -11.153 913 HG2 LYS 119 1HG LYS 119 14.743 -10.029 -11.440 914 HG3 LYS 119 2HG LYS 119 14.956 -9.555 -13.128 915 HD2 LYS 119 1HD LYS 119 15.666 -12.255 -11.972 916 HD3 LYS 119 2HD LYS 119 14.203 -11.895 -12.894 917 HE2 LYS 119 1HE LYS 119 15.506 -11.354 -14.847 918 HE3 LYS 119 2HE LYS 119 17.008 -11.514 -13.939 919 HZ1 LYS 119 3HZ LYS 119 16.572 -13.460 -15.303 920 HZ2 LYS 119 1HZ LYS 119 15.095 -13.719 -14.508 921 HZ3 LYS 119 2HZ LYS 119 16.555 -13.864 -13.657 922 H GLU 120 H GLU 120 18.774 -8.448 -13.592 923 HA GLU 120 HA GLU 120 21.003 -8.548 -11.734 924 HB2 GLU 120 1HB GLU 120 21.005 -8.764 -14.747 925 HB3 GLU 120 2HB GLU 120 22.330 -9.176 -13.667 926 HG2 GLU 120 1HG GLU 120 19.658 -10.556 -13.779 927 HG3 GLU 120 2HG GLU 120 21.164 -11.155 -14.472 928 H GLU 121 H GLU 121 19.557 -6.336 -13.983 929 HA GLU 121 HA GLU 121 21.844 -4.564 -14.041 930 HB2 GLU 121 1HB GLU 121 19.026 -4.009 -14.979 931 HB3 GLU 121 2HB GLU 121 20.480 -3.126 -15.418 932 HG2 GLU 121 1HG GLU 121 19.748 -5.937 -16.191 933 HG3 GLU 121 2HG GLU 121 19.863 -4.528 -17.242 934 H GLU 122 H GLU 122 20.919 -5.202 -11.492 935 HA GLU 122 HA GLU 122 19.249 -3.316 -10.265 936 HB2 GLU 122 1HB GLU 122 19.885 -5.429 -9.235 937 HB3 GLU 122 2HB GLU 122 21.567 -4.928 -9.186 938 HG2 GLU 122 1HG GLU 122 20.880 -3.072 -7.656 939 HG3 GLU 122 2HG GLU 122 19.277 -3.807 -7.594 940 H LEU 123 H LEU 123 22.794 -3.498 -10.357 941 HA LEU 123 HA LEU 123 22.991 -0.813 -9.277 942 HB2 LEU 123 1HB LEU 123 25.158 -2.779 -10.032 943 HB3 LEU 123 2HB LEU 123 25.402 -1.259 -9.189 944 HG LEU 123 HG LEU 123 23.904 -3.661 -8.139 945 HD11 LEU 123 1HD1 LEU 123 26.313 -3.972 -8.171 946 HD12 LEU 123 2HD1 LEU 123 25.734 -3.768 -6.517 947 HD13 LEU 123 3HD1 LEU 123 26.537 -2.432 -7.340 948 HD21 LEU 123 3HD2 LEU 123 24.471 -1.000 -6.835 949 HD22 LEU 123 1HD2 LEU 123 23.739 -2.400 -6.050 950 HD23 LEU 123 2HD2 LEU 123 22.892 -1.582 -7.363 951 H GLU 124 H GLU 124 23.112 0.902 -10.517 952 HA GLU 124 HA GLU 124 23.376 0.797 -13.335 953 HB2 GLU 124 1HB GLU 124 22.318 2.589 -11.679 954 HB3 GLU 124 2HB GLU 124 23.920 3.299 -11.787 955 HG2 GLU 124 1HG GLU 124 22.330 2.638 -14.237 956 HG3 GLU 124 2HG GLU 124 22.114 4.153 -13.365 957 H HIS 125 H HIS 125 25.177 0.876 -14.578 958 HA HIS 125 HA HIS 125 27.617 0.150 -13.358 959 HB2 HIS 125 1HB HIS 125 26.921 -0.575 -15.630 960 HB3 HIS 125 2HB HIS 125 27.189 1.066 -16.209 961 HD1 HIS 125 HD1 HIS 125 29.479 1.566 -17.059 962 HD2 HIS 125 HD2 HIS 125 29.399 -1.807 -14.625 963 HE1 HIS 125 HE1 HIS 125 31.799 0.600 -17.155 964 HE2 HIS 125 HE2 HIS 125 31.783 -1.292 -15.492 965 H HIS 126 H HIS 126 28.785 1.455 -12.209 966 HA HIS 126 HA HIS 126 30.331 3.029 -11.729 967 HB2 HIS 126 1HB HIS 126 30.873 2.910 -14.207 968 HB3 HIS 126 2HB HIS 126 29.848 4.327 -14.406 969 HD1 HIS 126 HD1 HIS 126 31.597 6.052 -14.977 970 HD2 HIS 126 HD2 HIS 126 32.511 3.898 -11.531 971 HE1 HIS 126 HE1 HIS 126 33.632 7.157 -13.997 972 HE2 HIS 126 HE2 HIS 126 34.273 5.727 -12.017 973 H HIS 127 H HIS 127 27.605 4.470 -13.504 974 HA HIS 127 HA HIS 127 26.080 6.041 -12.941 975 HB2 HIS 127 1HB HIS 127 25.905 4.916 -10.770 976 HB3 HIS 127 2HB HIS 127 27.253 5.867 -10.157 977 HD1 HIS 127 HD1 HIS 127 26.655 7.982 -9.008 978 HD2 HIS 127 HD2 HIS 127 23.582 6.606 -11.453 979 HE1 HIS 127 HE1 HIS 127 24.704 9.516 -8.577 980 HE2 HIS 127 HE2 HIS 127 22.805 8.533 -9.915 981 H HIS 128 H HIS 128 29.057 6.855 -11.141 982 HA HIS 128 HA HIS 128 29.615 9.110 -12.817 983 HB2 HIS 128 1HB HIS 128 27.727 9.825 -11.153 984 HB3 HIS 128 2HB HIS 128 29.010 9.820 -9.951 985 HD1 HIS 128 HD1 HIS 128 29.814 12.135 -9.563 986 HD2 HIS 128 HD2 HIS 128 28.755 11.494 -13.541 987 HE1 HIS 128 HE1 HIS 128 30.283 14.303 -10.758 988 HE2 HIS 128 HE2 HIS 128 29.561 13.922 -13.143 989 H HIS 129 H HIS 129 31.812 9.587 -12.664 990 HA HIS 129 HA HIS 129 33.476 7.821 -11.292 991 HB2 HIS 129 1HB HIS 129 35.330 9.489 -11.752 992 HB3 HIS 129 2HB HIS 129 34.447 8.893 -13.145 993 HD1 HIS 129 HD1 HIS 129 34.217 10.680 -14.798 994 HD2 HIS 129 HD2 HIS 129 33.904 12.158 -10.916 995 HE1 HIS 129 HE1 HIS 129 33.823 13.158 -15.036 996 HE2 HIS 129 HE2 HIS 129 33.666 14.041 -12.681 997 H HIS 130 H HIS 130 32.314 10.968 -10.314 998 HA HIS 130 HA HIS 130 32.154 10.308 -7.656 999 HB2 HIS 130 1HB HIS 130 33.883 11.870 -6.658 1000 HB3 HIS 130 2HB HIS 130 34.499 10.366 -7.314 1001 HD1 HIS 130 HD1 HIS 130 36.271 10.504 -9.073 1002 HD2 HIS 130 HD2 HIS 130 34.586 14.209 -8.197 1003 HE1 HIS 130 HE1 HIS 130 37.725 12.202 -10.223 1004 HE2 HIS 130 HE2 HIS 130 36.812 14.436 -9.506 Start of MODEL 12 1 H1 MET 1 1H MET 1 -15.740 -20.174 7.986 2 H2 MET 1 2H MET 1 -17.392 -20.052 8.336 3 H3 MET 1 3H MET 1 -16.632 -21.567 8.337 4 HA MET 1 HA MET 1 -15.303 -20.984 10.216 5 HB2 MET 1 1HB MET 1 -15.550 -18.878 11.366 6 HB3 MET 1 2HB MET 1 -15.147 -18.567 9.686 7 HG2 MET 1 1HG MET 1 -17.932 -18.437 10.815 8 HG3 MET 1 2HG MET 1 -16.865 -17.047 10.620 9 HE1 MET 1 3HE MET 1 -19.539 -16.508 7.808 10 HE2 MET 1 1HE MET 1 -18.756 -15.814 9.228 11 HE3 MET 1 2HE MET 1 -19.821 -17.211 9.401 12 H ASN 2 H ASN 2 -18.400 -21.475 9.278 13 HA ASN 2 HA ASN 2 -19.628 -21.403 11.902 14 HB2 ASN 2 1HB ASN 2 -20.675 -22.440 9.260 15 HB3 ASN 2 2HB ASN 2 -21.620 -22.312 10.741 16 HD21 ASN 2 2HD2 ASN 2 -22.063 -21.067 8.164 17 HD22 ASN 2 1HD2 ASN 2 -22.062 -19.351 8.439 18 H ASP 3 H ASP 3 -18.711 -23.858 9.513 19 HA ASP 3 HA ASP 3 -18.919 -25.971 11.492 20 HB2 ASP 3 1HB ASP 3 -17.921 -25.988 8.632 21 HB3 ASP 3 2HB ASP 3 -17.989 -27.414 9.659 22 H ASP 4 H ASP 4 -17.326 -26.557 12.793 23 HA ASP 4 HA ASP 4 -15.291 -26.732 13.783 24 HB2 ASP 4 1HB ASP 4 -14.457 -27.555 11.592 25 HB3 ASP 4 2HB ASP 4 -14.114 -25.892 11.122 26 H VAL 5 H VAL 5 -15.435 -25.186 15.268 27 HA VAL 5 HA VAL 5 -15.431 -22.402 14.569 28 HB VAL 5 HB VAL 5 -15.663 -22.007 16.999 29 HG11 VAL 5 1HG1 VAL 5 -17.520 -24.117 15.903 30 HG12 VAL 5 2HG1 VAL 5 -17.640 -22.383 15.615 31 HG13 VAL 5 3HG1 VAL 5 -17.871 -23.023 17.240 32 HG21 VAL 5 3HG2 VAL 5 -15.478 -25.015 17.189 33 HG22 VAL 5 1HG2 VAL 5 -15.965 -23.942 18.501 34 HG23 VAL 5 2HG2 VAL 5 -14.329 -23.848 17.848 35 H ASP 6 H ASP 6 -14.092 -20.880 15.936 36 HA ASP 6 HA ASP 6 -11.379 -21.226 15.283 37 HB2 ASP 6 1HB ASP 6 -10.989 -19.132 16.472 38 HB3 ASP 6 2HB ASP 6 -12.455 -19.008 15.505 39 H ILE 7 H ILE 7 -9.582 -21.634 16.516 40 HA ILE 7 HA ILE 7 -9.887 -22.416 19.305 41 HB ILE 7 HB ILE 7 -10.478 -24.467 18.104 42 HG12 ILE 7 1HG1 ILE 7 -7.748 -24.570 19.402 43 HG13 ILE 7 2HG1 ILE 7 -9.297 -24.705 20.223 44 HG21 ILE 7 1HG2 ILE 7 -7.773 -24.184 16.809 45 HG22 ILE 7 2HG2 ILE 7 -9.344 -24.087 16.014 46 HG23 ILE 7 3HG2 ILE 7 -8.798 -25.615 16.704 47 HD11 ILE 7 3HD1 ILE 7 -8.264 -26.869 19.994 48 HD12 ILE 7 1HD1 ILE 7 -8.152 -26.659 18.248 49 HD13 ILE 7 2HD1 ILE 7 -9.733 -26.794 19.021 50 H GLN 8 H GLN 8 -8.065 -21.215 16.732 51 HA GLN 8 HA GLN 8 -5.467 -21.988 17.616 52 HB2 GLN 8 1HB GLN 8 -6.381 -19.933 15.610 53 HB3 GLN 8 2HB GLN 8 -4.691 -20.328 15.901 54 HG2 GLN 8 1HG GLN 8 -5.027 -22.588 15.199 55 HG3 GLN 8 2HG GLN 8 -6.768 -22.347 15.094 56 HE21 GLN 8 2HE2 GLN 8 -6.842 -22.977 12.970 57 HE22 GLN 8 1HE2 GLN 8 -6.236 -22.005 11.673 58 H GLN 9 H GLN 9 -7.570 -19.861 18.970 59 HA GLN 9 HA GLN 9 -7.373 -18.537 20.799 60 HB2 GLN 9 1HB GLN 9 -4.527 -19.532 20.745 61 HB3 GLN 9 2HB GLN 9 -5.226 -18.594 22.060 62 HG2 GLN 9 1HG GLN 9 -6.766 -20.333 22.582 63 HG3 GLN 9 2HG GLN 9 -6.332 -21.229 21.128 64 HE21 GLN 9 2HE2 GLN 9 -3.970 -19.614 23.112 65 HE22 GLN 9 1HE2 GLN 9 -3.233 -21.047 23.740 66 H SER 10 H SER 10 -6.214 -17.722 17.957 67 HA SER 10 HA SER 10 -5.582 -15.016 18.819 68 HB2 SER 10 1HB SER 10 -3.402 -16.211 18.576 69 HB3 SER 10 2HB SER 10 -3.814 -16.557 16.896 70 HG SER 10 HG SER 10 -2.669 -14.733 16.738 71 H TYR 11 H TYR 11 -5.955 -13.452 17.185 72 HA TYR 11 HA TYR 11 -7.462 -14.473 14.875 73 HB2 TYR 11 1HB TYR 11 -8.104 -12.027 16.535 74 HB3 TYR 11 2HB TYR 11 -8.932 -12.487 15.054 75 HD1 TYR 11 HD1 TYR 11 -10.193 -14.697 15.018 76 HD2 TYR 11 HD2 TYR 11 -8.773 -12.911 18.612 77 HE1 TYR 11 HE1 TYR 11 -11.774 -16.064 16.318 78 HE2 TYR 11 HE2 TYR 11 -10.350 -14.275 19.915 79 HH TYR 11 HH TYR 11 -11.992 -16.939 18.639 80 HA PRO 12 HA PRO 12 -4.176 -11.863 13.096 81 HB2 PRO 12 1HB PRO 12 -4.468 -13.602 10.779 82 HB3 PRO 12 2HB PRO 12 -3.053 -13.354 11.802 83 HG2 PRO 12 1HG PRO 12 -4.467 -15.674 11.751 84 HG3 PRO 12 2HG PRO 12 -3.577 -15.104 13.173 85 HD2 PRO 12 1HD PRO 12 -6.509 -14.968 12.593 86 HD3 PRO 12 2HD PRO 12 -5.675 -15.314 14.122 87 H PHE 13 H PHE 13 -4.939 -10.001 12.296 88 HA PHE 13 HA PHE 13 -7.511 -9.751 11.185 89 HB2 PHE 13 1HB PHE 13 -5.196 -7.808 11.069 90 HB3 PHE 13 2HB PHE 13 -6.877 -7.418 10.716 91 HD1 PHE 13 HD1 PHE 13 -8.580 -7.895 12.612 92 HD2 PHE 13 HD2 PHE 13 -4.384 -7.531 13.199 93 HE1 PHE 13 HE1 PHE 13 -8.963 -7.402 14.990 94 HE2 PHE 13 HE2 PHE 13 -4.755 -7.042 15.583 95 HZ PHE 13 HZ PHE 13 -7.050 -6.976 16.481 96 H SER 14 H SER 14 -8.249 -9.577 9.141 97 HA SER 14 HA SER 14 -6.459 -10.515 7.051 98 HB2 SER 14 1HB SER 14 -9.463 -10.139 7.105 99 HB3 SER 14 2HB SER 14 -8.558 -10.777 5.733 100 HG SER 14 HG SER 14 -8.038 -12.572 6.879 101 H ILE 15 H ILE 15 -5.513 -9.156 5.722 102 HA ILE 15 HA ILE 15 -6.714 -6.500 5.330 103 HB ILE 15 HB ILE 15 -3.831 -7.312 4.914 104 HG12 ILE 15 1HG1 ILE 15 -5.117 -5.754 7.166 105 HG13 ILE 15 2HG1 ILE 15 -4.454 -7.380 7.289 106 HG21 ILE 15 1HG2 ILE 15 -4.476 -5.477 3.484 107 HG22 ILE 15 2HG2 ILE 15 -3.448 -4.873 4.785 108 HG23 ILE 15 3HG2 ILE 15 -5.193 -4.622 4.851 109 HD11 ILE 15 3HD1 ILE 15 -2.881 -4.906 6.634 110 HD12 ILE 15 1HD1 ILE 15 -2.234 -6.531 6.846 111 HD13 ILE 15 2HD1 ILE 15 -2.960 -5.687 8.213 112 H GLU 16 H GLU 16 -7.734 -6.335 3.460 113 HA GLU 16 HA GLU 16 -6.688 -7.872 1.185 114 HB2 GLU 16 1HB GLU 16 -9.542 -7.306 1.964 115 HB3 GLU 16 2HB GLU 16 -9.088 -7.878 0.361 116 HG2 GLU 16 1HG GLU 16 -8.106 -9.868 1.328 117 HG3 GLU 16 2HG GLU 16 -8.501 -9.297 2.948 118 H THR 17 H THR 17 -6.628 -6.958 -0.776 119 HA THR 17 HA THR 17 -7.006 -4.042 -0.850 120 HB THR 17 HB THR 17 -5.232 -4.095 -2.651 121 HG1 THR 17 HG1 THR 17 -5.381 -6.373 -3.072 122 HG21 THR 17 3HG2 THR 17 -3.365 -4.241 -1.082 123 HG22 THR 17 1HG2 THR 17 -4.388 -5.092 0.076 124 HG23 THR 17 2HG2 THR 17 -4.732 -3.413 -0.336 125 H MET 18 H MET 18 -8.074 -3.161 -2.573 126 HA MET 18 HA MET 18 -9.755 -4.873 -4.122 127 HB2 MET 18 1HB MET 18 -9.270 -1.898 -4.157 128 HB3 MET 18 2HB MET 18 -10.363 -2.685 -5.288 129 HG2 MET 18 1HG MET 18 -10.594 -2.673 -2.288 130 HG3 MET 18 2HG MET 18 -11.594 -1.772 -3.426 131 HE1 MET 18 3HE MET 18 -14.073 -4.476 -2.023 132 HE2 MET 18 1HE MET 18 -13.799 -2.752 -2.283 133 HE3 MET 18 2HE MET 18 -12.796 -3.642 -1.138 134 HA PRO 19 HA PRO 19 -7.446 -5.806 -7.715 135 HB2 PRO 19 1HB PRO 19 -9.222 -4.997 -9.705 136 HB3 PRO 19 2HB PRO 19 -9.220 -6.567 -8.900 137 HG2 PRO 19 1HG PRO 19 -10.895 -4.163 -8.357 138 HG3 PRO 19 2HG PRO 19 -11.341 -5.878 -8.304 139 HD2 PRO 19 1HD PRO 19 -10.907 -4.491 -6.061 140 HD3 PRO 19 2HD PRO 19 -10.393 -6.186 -6.203 141 H VAL 20 H VAL 20 -6.095 -4.927 -9.221 142 HA VAL 20 HA VAL 20 -6.172 -1.996 -9.513 143 HB VAL 20 HB VAL 20 -3.695 -1.990 -9.490 144 HG11 VAL 20 1HG1 VAL 20 -4.958 -3.159 -7.012 145 HG12 VAL 20 2HG1 VAL 20 -4.906 -1.452 -7.453 146 HG13 VAL 20 3HG1 VAL 20 -3.412 -2.311 -7.074 147 HG21 VAL 20 3HG2 VAL 20 -3.284 -4.285 -10.171 148 HG22 VAL 20 1HG2 VAL 20 -3.986 -4.876 -8.666 149 HG23 VAL 20 2HG2 VAL 20 -2.486 -3.950 -8.635 150 HA PRO 21 HA PRO 21 -5.705 -2.514 -13.911 151 HB2 PRO 21 1HB PRO 21 -3.418 -0.622 -13.752 152 HB3 PRO 21 2HB PRO 21 -4.879 -0.537 -14.742 153 HG2 PRO 21 1HG PRO 21 -4.579 1.037 -12.616 154 HG3 PRO 21 2HG PRO 21 -6.159 0.333 -13.015 155 HD2 PRO 21 1HD PRO 21 -4.195 -0.475 -10.908 156 HD3 PRO 21 2HD PRO 21 -5.970 -0.440 -10.846 157 H LYS 22 H LYS 22 -4.644 -3.990 -15.098 158 HA LYS 22 HA LYS 22 -2.578 -5.526 -13.933 159 HB2 LYS 22 1HB LYS 22 -2.562 -6.727 -16.105 160 HB3 LYS 22 2HB LYS 22 -4.165 -6.569 -15.404 161 HG2 LYS 22 1HG LYS 22 -4.626 -4.697 -16.925 162 HG3 LYS 22 2HG LYS 22 -3.031 -4.913 -17.650 163 HD2 LYS 22 1HD LYS 22 -5.235 -6.977 -17.588 164 HD3 LYS 22 2HD LYS 22 -4.792 -5.989 -18.984 165 HE2 LYS 22 1HE LYS 22 -2.600 -7.004 -19.054 166 HE3 LYS 22 2HE LYS 22 -2.934 -7.906 -17.576 167 HZ1 LYS 22 3HZ LYS 22 -4.306 -8.243 -20.196 168 HZ2 LYS 22 1HZ LYS 22 -4.725 -9.065 -18.768 169 HZ3 LYS 22 2HZ LYS 22 -3.207 -9.317 -19.477 170 H LYS 23 H LYS 23 -2.565 -2.841 -16.125 171 HA LYS 23 HA LYS 23 0.336 -2.739 -15.902 172 HB2 LYS 23 1HB LYS 23 0.586 -2.178 -18.311 173 HB3 LYS 23 2HB LYS 23 0.051 -3.830 -18.044 174 HG2 LYS 23 1HG LYS 23 -2.254 -3.153 -18.567 175 HG3 LYS 23 2HG LYS 23 -1.687 -1.511 -18.872 176 HD2 LYS 23 1HD LYS 23 -1.936 -2.696 -20.970 177 HD3 LYS 23 2HD LYS 23 -0.227 -2.381 -20.665 178 HE2 LYS 23 1HE LYS 23 0.079 -4.661 -19.889 179 HE3 LYS 23 2HE LYS 23 -1.642 -4.982 -20.090 180 HZ1 LYS 23 3HZ LYS 23 -0.367 -5.858 -21.937 181 HZ2 LYS 23 1HZ LYS 23 0.260 -4.320 -22.280 182 HZ3 LYS 23 2HZ LYS 23 -1.398 -4.621 -22.467 183 H LEU 24 H LEU 24 1.169 -0.614 -16.036 184 HA LEU 24 HA LEU 24 -0.905 1.475 -15.905 185 HB2 LEU 24 1HB LEU 24 1.551 1.113 -14.201 186 HB3 LEU 24 2HB LEU 24 0.666 2.624 -14.278 187 HG LEU 24 HG LEU 24 -0.524 -0.004 -13.375 188 HD11 LEU 24 1HD1 LEU 24 1.210 0.758 -11.831 189 HD12 LEU 24 2HD1 LEU 24 -0.395 0.930 -11.120 190 HD13 LEU 24 3HD1 LEU 24 0.447 2.346 -11.751 191 HD21 LEU 24 3HD2 LEU 24 -1.564 2.827 -13.212 192 HD22 LEU 24 1HD2 LEU 24 -2.361 1.390 -12.569 193 HD23 LEU 24 2HD2 LEU 24 -2.149 1.577 -14.311 194 H LYS 25 H LYS 25 -0.113 3.661 -16.324 195 HA LYS 25 HA LYS 25 2.244 3.749 -18.087 196 HB2 LYS 25 1HB LYS 25 -0.294 5.373 -18.372 197 HB3 LYS 25 2HB LYS 25 1.132 5.504 -19.390 198 HG2 LYS 25 1HG LYS 25 0.773 3.175 -20.127 199 HG3 LYS 25 2HG LYS 25 -0.716 3.141 -19.177 200 HD2 LYS 25 1HD LYS 25 -1.541 5.070 -20.483 201 HD3 LYS 25 2HD LYS 25 -0.089 4.978 -21.482 202 HE2 LYS 25 1HE LYS 25 -0.719 2.660 -22.089 203 HE3 LYS 25 2HE LYS 25 -2.218 2.870 -21.183 204 HZ1 LYS 25 3HZ LYS 25 -2.679 3.306 -23.452 205 HZ2 LYS 25 1HZ LYS 25 -1.357 4.354 -23.600 206 HZ3 LYS 25 2HZ LYS 25 -2.690 4.801 -22.656 207 H VAL 26 H VAL 26 2.919 6.185 -18.336 208 HA VAL 26 HA VAL 26 3.465 7.206 -15.715 209 HB VAL 26 HB VAL 26 3.893 8.548 -18.396 210 HG11 VAL 26 1HG1 VAL 26 5.074 9.114 -15.674 211 HG12 VAL 26 2HG1 VAL 26 3.957 10.142 -16.573 212 HG13 VAL 26 3HG1 VAL 26 5.588 9.869 -17.182 213 HG21 VAL 26 3HG2 VAL 26 5.793 6.882 -16.749 214 HG22 VAL 26 1HG2 VAL 26 6.195 7.733 -18.238 215 HG23 VAL 26 2HG2 VAL 26 5.046 6.396 -18.270 216 H GLY 27 H GLY 27 2.045 8.298 -14.531 217 HA2 GLY 27 1HA GLY 27 0.772 10.353 -14.274 218 HA3 GLY 27 2HA GLY 27 0.189 10.134 -15.919 219 H GLU 28 H GLU 28 0.024 7.146 -15.128 220 HA GLU 28 HA GLU 28 -2.755 7.180 -14.484 221 HB2 GLU 28 1HB GLU 28 -0.735 4.943 -14.671 222 HB3 GLU 28 2HB GLU 28 -2.431 4.672 -14.301 223 HG2 GLU 28 1HG GLU 28 -1.414 5.996 -16.799 224 HG3 GLU 28 2HG GLU 28 -1.858 4.294 -16.668 225 H THR 29 H THR 29 -3.663 7.269 -12.536 226 HA THR 29 HA THR 29 -1.970 6.805 -10.195 227 HB THR 29 HB THR 29 -4.730 8.038 -10.270 228 HG1 THR 29 HG1 THR 29 -2.455 9.052 -11.173 229 HG21 THR 29 3HG2 THR 29 -4.126 8.912 -8.063 230 HG22 THR 29 1HG2 THR 29 -2.562 8.099 -8.161 231 HG23 THR 29 2HG2 THR 29 -4.046 7.152 -8.081 232 H ALA 30 H ALA 30 -1.994 4.726 -9.622 233 HA ALA 30 HA ALA 30 -4.421 3.146 -9.902 234 HB1 ALA 30 3HB ALA 30 -3.036 1.258 -9.215 235 HB2 ALA 30 1HB ALA 30 -1.694 2.351 -8.878 236 HB3 ALA 30 2HB ALA 30 -2.271 2.147 -10.533 237 H GLU 31 H GLU 31 -5.891 3.565 -8.368 238 HA GLU 31 HA GLU 31 -5.061 4.053 -5.640 239 HB2 GLU 31 1HB GLU 31 -6.950 5.334 -6.529 240 HB3 GLU 31 2HB GLU 31 -7.836 3.841 -6.823 241 HG2 GLU 31 1HG GLU 31 -7.703 3.373 -4.376 242 HG3 GLU 31 2HG GLU 31 -7.017 4.980 -4.163 243 H ILE 32 H ILE 32 -4.571 2.444 -4.376 244 HA ILE 32 HA ILE 32 -5.926 -0.134 -4.737 245 HB ILE 32 HB ILE 32 -3.502 0.469 -3.029 246 HG12 ILE 32 1HG1 ILE 32 -3.600 -0.730 -5.809 247 HG13 ILE 32 2HG1 ILE 32 -3.051 0.898 -5.431 248 HG21 ILE 32 1HG2 ILE 32 -4.775 -1.511 -2.370 249 HG22 ILE 32 2HG2 ILE 32 -3.197 -1.950 -3.028 250 HG23 ILE 32 3HG2 ILE 32 -4.648 -2.142 -4.014 251 HD11 ILE 32 3HD1 ILE 32 -1.772 -1.662 -4.499 252 HD12 ILE 32 1HD1 ILE 32 -1.221 -0.032 -4.108 253 HD13 ILE 32 2HD1 ILE 32 -1.182 -0.601 -5.777 254 H ARG 33 H ARG 33 -7.851 0.132 -3.625 255 HA ARG 33 HA ARG 33 -7.988 1.299 -1.037 256 HB2 ARG 33 1HB ARG 33 -10.040 1.143 -2.266 257 HB3 ARG 33 2HB ARG 33 -9.850 -0.592 -2.480 258 HG2 ARG 33 1HG ARG 33 -10.104 -0.901 -0.052 259 HG3 ARG 33 2HG ARG 33 -10.365 0.832 0.127 260 HD2 ARG 33 1HD ARG 33 -12.406 0.737 -1.072 261 HD3 ARG 33 2HD ARG 33 -12.076 -0.902 -1.637 262 HE ARG 33 HE ARG 33 -12.341 -1.624 0.703 263 HH11 ARG 33 1HH1 ARG 33 -13.740 1.440 -0.269 264 HH12 ARG 33 2HH1 ARG 33 -14.920 1.445 1.009 265 HH21 ARG 33 1HH2 ARG 33 -13.900 -1.627 2.357 266 HH22 ARG 33 2HH2 ARG 33 -15.009 -0.295 2.507 267 H CYS 34 H CYS 34 -7.005 0.524 0.671 268 HA CYS 34 HA CYS 34 -6.710 -2.385 0.937 269 HB2 CYS 34 1HB CYS 34 -4.614 -1.037 0.935 270 HB3 CYS 34 2HB CYS 34 -5.198 -0.183 2.361 271 HG CYS 34 HG CYS 34 -4.602 -1.971 4.133 272 H GLN 35 H GLN 35 -7.812 -3.389 2.504 273 HA GLN 35 HA GLN 35 -9.016 -1.727 4.599 274 HB2 GLN 35 1HB GLN 35 -10.738 -2.046 2.936 275 HB3 GLN 35 2HB GLN 35 -10.428 -3.774 2.885 276 HG2 GLN 35 1HG GLN 35 -11.360 -4.105 5.020 277 HG3 GLN 35 2HG GLN 35 -11.366 -2.377 5.368 278 HE21 GLN 35 2HE2 GLN 35 -13.572 -2.460 5.831 279 HE22 GLN 35 1HE2 GLN 35 -14.765 -2.579 4.584 280 H LEU 36 H LEU 36 -8.203 -2.404 6.414 281 HA LEU 36 HA LEU 36 -7.563 -5.218 6.834 282 HB2 LEU 36 1HB LEU 36 -5.998 -3.410 7.552 283 HB3 LEU 36 2HB LEU 36 -7.224 -2.820 8.655 284 HG LEU 36 HG LEU 36 -6.210 -5.635 8.918 285 HD11 LEU 36 1HD1 LEU 36 -4.502 -4.819 10.471 286 HD12 LEU 36 2HD1 LEU 36 -4.900 -3.157 10.029 287 HD13 LEU 36 3HD1 LEU 36 -4.217 -4.250 8.825 288 HD21 LEU 36 3HD2 LEU 36 -6.773 -5.288 11.257 289 HD22 LEU 36 1HD2 LEU 36 -8.162 -4.922 10.234 290 HD23 LEU 36 2HD2 LEU 36 -7.206 -3.609 10.924 291 H HIS 37 H HIS 37 -9.057 -6.549 7.674 292 HA HIS 37 HA HIS 37 -11.494 -5.442 8.758 293 HB2 HIS 37 1HB HIS 37 -11.520 -7.501 7.365 294 HB3 HIS 37 2HB HIS 37 -10.616 -8.342 8.621 295 HD1 HIS 37 HD1 HIS 37 -12.124 -9.826 9.897 296 HD2 HIS 37 HD2 HIS 37 -14.019 -6.291 8.777 297 HE1 HIS 37 HE1 HIS 37 -14.433 -9.946 10.886 298 HE2 HIS 37 HE2 HIS 37 -15.520 -7.745 10.310 299 H ARG 38 H ARG 38 -11.170 -4.464 10.668 300 HA ARG 38 HA ARG 38 -9.800 -5.971 12.781 301 HB2 ARG 38 1HB ARG 38 -8.897 -3.717 12.275 302 HB3 ARG 38 2HB ARG 38 -10.461 -3.019 12.672 303 HG2 ARG 38 1HG ARG 38 -10.254 -3.668 14.959 304 HG3 ARG 38 2HG ARG 38 -8.805 -4.611 14.611 305 HD2 ARG 38 1HD ARG 38 -8.151 -2.541 15.628 306 HD3 ARG 38 2HD ARG 38 -7.661 -2.523 13.937 307 HE ARG 38 HE ARG 38 -10.049 -1.275 13.851 308 HH11 ARG 38 1HH1 ARG 38 -7.215 -0.817 15.865 309 HH12 ARG 38 2HH1 ARG 38 -7.512 0.877 16.123 310 HH21 ARG 38 1HH2 ARG 38 -10.417 0.939 14.145 311 HH22 ARG 38 2HH2 ARG 38 -9.334 1.882 15.134 312 H ASP 39 H ASP 39 -10.854 -6.568 14.576 313 HA ASP 39 HA ASP 39 -13.733 -6.173 14.650 314 HB2 ASP 39 1HB ASP 39 -12.869 -8.458 14.898 315 HB3 ASP 39 2HB ASP 39 -11.904 -7.959 16.280 316 H GLY 40 H GLY 40 -14.746 -5.592 16.692 317 HA2 GLY 40 1HA GLY 40 -13.501 -3.278 17.837 318 HA3 GLY 40 2HA GLY 40 -15.073 -3.933 18.261 319 H ARG 41 H ARG 41 -11.708 -5.043 18.483 320 HA ARG 41 HA ARG 41 -12.038 -5.352 21.389 321 HB2 ARG 41 1HB ARG 41 -12.289 -7.524 19.900 322 HB3 ARG 41 2HB ARG 41 -10.538 -7.426 19.829 323 HG2 ARG 41 1HG ARG 41 -10.347 -7.677 22.186 324 HG3 ARG 41 2HG ARG 41 -12.092 -7.496 22.403 325 HD2 ARG 41 1HD ARG 41 -12.377 -9.548 20.976 326 HD3 ARG 41 2HD ARG 41 -10.630 -9.764 21.062 327 HE ARG 41 HE ARG 41 -10.902 -10.002 23.493 328 HH11 ARG 41 1HH1 ARG 41 -13.716 -10.412 21.453 329 HH12 ARG 41 2HH1 ARG 41 -14.535 -11.475 22.562 330 HH21 ARG 41 1HH2 ARG 41 -11.990 -11.355 24.987 331 HH22 ARG 41 2HH2 ARG 41 -13.555 -11.994 24.576 332 H PHE 42 H PHE 42 -10.640 -3.762 21.999 333 HA PHE 42 HA PHE 42 -8.242 -3.404 20.338 334 HB2 PHE 42 1HB PHE 42 -9.645 -1.318 22.015 335 HB3 PHE 42 2HB PHE 42 -8.324 -1.048 20.883 336 HD1 PHE 42 HD1 PHE 42 -8.742 -1.494 18.428 337 HD2 PHE 42 HD2 PHE 42 -11.865 -1.273 21.308 338 HE1 PHE 42 HE1 PHE 42 -10.372 -1.099 16.627 339 HE2 PHE 42 HE2 PHE 42 -13.499 -0.878 19.513 340 HZ PHE 42 HZ PHE 42 -12.754 -0.793 17.169 341 H GLU 43 H GLU 43 -6.631 -4.452 21.377 342 HA GLU 43 HA GLU 43 -5.923 -3.272 23.974 343 HB2 GLU 43 1HB GLU 43 -5.288 -6.048 22.965 344 HB3 GLU 43 2HB GLU 43 -4.517 -5.323 24.368 345 HG2 GLU 43 1HG GLU 43 -6.920 -4.996 25.238 346 HG3 GLU 43 2HG GLU 43 -7.353 -6.190 24.015 347 H GLU 44 H GLU 44 -5.125 -1.579 22.617 348 HA GLU 44 HA GLU 44 -3.621 -0.433 21.379 349 HB2 GLU 44 1HB GLU 44 -1.880 -2.176 23.097 350 HB3 GLU 44 2HB GLU 44 -1.196 -0.970 22.016 351 HG2 GLU 44 1HG GLU 44 -1.319 0.106 24.071 352 HG3 GLU 44 2HG GLU 44 -2.725 0.701 23.191 353 H THR 45 H THR 45 -4.708 -2.252 19.734 354 HA THR 45 HA THR 45 -2.672 -3.684 18.312 355 HB THR 45 HB THR 45 -4.698 -3.490 16.517 356 HG1 THR 45 HG1 THR 45 -6.594 -3.812 18.072 357 HG21 THR 45 3HG2 THR 45 -5.460 -5.658 17.376 358 HG22 THR 45 1HG2 THR 45 -4.569 -5.376 18.873 359 HG23 THR 45 2HG2 THR 45 -3.699 -5.557 17.351 360 H LYS 46 H LYS 46 -1.099 -2.213 17.812 361 HA LYS 46 HA LYS 46 -1.839 0.150 16.247 362 HB2 LYS 46 1HB LYS 46 0.822 -0.551 17.505 363 HB3 LYS 46 2HB LYS 46 0.368 0.998 16.803 364 HG2 LYS 46 1HG LYS 46 -1.268 1.360 18.533 365 HG3 LYS 46 2HG LYS 46 -0.969 -0.246 19.196 366 HD2 LYS 46 1HD LYS 46 1.393 0.458 19.618 367 HD3 LYS 46 2HD LYS 46 0.930 2.093 19.135 368 HE2 LYS 46 1HE LYS 46 -0.744 2.145 20.919 369 HE3 LYS 46 2HE LYS 46 -0.284 0.513 21.402 370 HZ1 LYS 46 3HZ LYS 46 0.810 2.029 22.838 371 HZ2 LYS 46 1HZ LYS 46 1.377 2.963 21.539 372 HZ3 LYS 46 2HZ LYS 46 1.990 1.403 21.790 373 H TYR 47 H TYR 47 -1.377 0.312 14.142 374 HA TYR 47 HA TYR 47 -0.033 -2.011 12.930 375 HB2 TYR 47 1HB TYR 47 -2.016 -0.107 11.674 376 HB3 TYR 47 2HB TYR 47 -1.363 -1.570 10.942 377 HD1 TYR 47 HD2 TYR 47 -1.910 -3.796 12.023 378 HD2 TYR 47 HD1 TYR 47 -3.926 -0.192 13.034 379 HE1 TYR 47 HE2 TYR 47 -3.744 -5.105 12.999 380 HE2 TYR 47 HE1 TYR 47 -5.767 -1.492 14.017 381 HH TYR 47 HH TYR 47 -5.517 -4.898 14.543 382 H PHE 48 H PHE 48 1.777 -1.746 11.858 383 HA PHE 48 HA PHE 48 2.594 0.980 11.056 384 HB2 PHE 48 1HB PHE 48 4.392 -1.297 11.924 385 HB3 PHE 48 2HB PHE 48 4.900 0.335 11.504 386 HD1 PHE 48 HD2 PHE 48 4.076 2.248 12.962 387 HD2 PHE 48 HD1 PHE 48 3.803 -1.840 14.105 388 HE1 PHE 48 HE2 PHE 48 3.818 2.925 15.315 389 HE2 PHE 48 HE1 PHE 48 3.545 -1.171 16.459 390 HZ PHE 48 HZ PHE 48 3.551 1.216 17.065 391 H ILE 49 H ILE 49 2.829 1.222 8.908 392 HA ILE 49 HA ILE 49 3.099 -1.237 7.309 393 HB ILE 49 HB ILE 49 1.059 -0.071 6.812 394 HG12 ILE 49 1HG1 ILE 49 3.107 0.425 4.639 395 HG13 ILE 49 2HG1 ILE 49 2.202 -1.063 4.894 396 HG21 ILE 49 1HG2 ILE 49 0.993 2.239 6.045 397 HG22 ILE 49 2HG2 ILE 49 2.738 2.372 6.277 398 HG23 ILE 49 3HG2 ILE 49 1.680 2.124 7.666 399 HD11 ILE 49 3HD1 ILE 49 1.065 1.606 4.095 400 HD12 ILE 49 1HD1 ILE 49 0.120 0.153 4.419 401 HD13 ILE 49 2HD1 ILE 49 1.252 0.184 3.069 402 H ARG 50 H ARG 50 4.883 -1.553 6.151 403 HA ARG 50 HA ARG 50 6.758 0.706 5.854 404 HB2 ARG 50 1HB ARG 50 7.466 -1.298 7.304 405 HB3 ARG 50 2HB ARG 50 7.559 -2.202 5.798 406 HG2 ARG 50 1HG ARG 50 9.138 -0.420 4.959 407 HG3 ARG 50 2HG ARG 50 9.178 0.196 6.609 408 HD2 ARG 50 1HD ARG 50 10.074 -2.502 5.630 409 HD3 ARG 50 2HD ARG 50 11.071 -1.218 6.307 410 HE ARG 50 HE ARG 50 9.363 -3.081 7.759 411 HH11 ARG 50 1HH1 ARG 50 11.315 -0.165 7.899 412 HH12 ARG 50 2HH1 ARG 50 11.651 -0.321 9.598 413 HH21 ARG 50 1HH2 ARG 50 9.815 -3.295 9.971 414 HH22 ARG 50 2HH2 ARG 50 10.820 -2.128 10.772 415 H TYR 51 H TYR 51 8.103 0.616 3.889 416 HA TYR 51 HA TYR 51 6.709 -0.666 1.646 417 HB2 TYR 51 1HB TYR 51 7.714 2.093 1.213 418 HB3 TYR 51 2HB TYR 51 6.289 1.303 0.548 419 HD1 TYR 51 HD1 TYR 51 4.188 1.260 1.816 420 HD2 TYR 51 HD2 TYR 51 7.619 3.288 3.295 421 HE1 TYR 51 HE1 TYR 51 2.794 2.394 3.490 422 HE2 TYR 51 HE2 TYR 51 6.234 4.434 4.967 423 HH TYR 51 HH TYR 51 3.112 3.461 5.720 424 H PHE 52 H PHE 52 8.015 -1.263 -0.042 425 HA PHE 52 HA PHE 52 10.777 -0.310 -0.083 426 HB2 PHE 52 1HB PHE 52 10.819 -2.461 1.133 427 HB3 PHE 52 2HB PHE 52 10.023 -3.240 -0.229 428 HD1 PHE 52 HD2 PHE 52 13.079 -1.298 0.638 429 HD2 PHE 52 HD1 PHE 52 11.300 -4.218 -1.898 430 HE1 PHE 52 HE2 PHE 52 15.276 -1.752 -0.374 431 HE2 PHE 52 HE1 PHE 52 13.493 -4.675 -2.915 432 HZ PHE 52 HZ PHE 52 15.485 -3.442 -2.153 433 H GLN 53 H GLN 53 11.328 0.301 -2.066 434 HA GLN 53 HA GLN 53 9.916 -0.928 -4.338 435 HB2 GLN 53 1HB GLN 53 10.608 1.992 -3.967 436 HB3 GLN 53 2HB GLN 53 10.104 1.293 -5.498 437 HG2 GLN 53 1HG GLN 53 7.980 0.597 -4.409 438 HG3 GLN 53 2HG GLN 53 8.486 1.485 -2.969 439 HE21 GLN 53 2HE2 GLN 53 8.546 3.738 -3.029 440 HE22 GLN 53 1HE2 GLN 53 7.759 4.643 -4.271 441 HA PRO 54 HA PRO 54 14.256 -1.787 -5.326 442 HB2 PRO 54 1HB PRO 54 12.935 -3.185 -7.571 443 HB3 PRO 54 2HB PRO 54 14.098 -3.800 -6.393 444 HG2 PRO 54 1HG PRO 54 11.517 -4.511 -6.302 445 HG3 PRO 54 2HG PRO 54 12.468 -4.268 -4.824 446 HD2 PRO 54 1HD PRO 54 10.456 -2.458 -6.103 447 HD3 PRO 54 2HD PRO 54 10.731 -2.799 -4.381 448 H ASP 55 H ASP 55 11.679 -0.945 -7.586 449 HA ASP 55 HA ASP 55 13.489 0.349 -9.418 450 HB2 ASP 55 1HB ASP 55 10.469 0.382 -9.398 451 HB3 ASP 55 2HB ASP 55 11.521 0.799 -10.749 452 H GLY 56 H GLY 56 10.538 1.539 -7.925 453 HA2 GLY 56 1HA GLY 56 10.378 3.190 -6.257 454 HA3 GLY 56 2HA GLY 56 12.050 3.624 -6.567 455 H ALA 57 H ALA 57 10.325 3.414 -9.469 456 HA ALA 57 HA ALA 57 10.255 6.329 -9.583 457 HB1 ALA 57 3HB ALA 57 10.006 6.067 -11.983 458 HB2 ALA 57 1HB ALA 57 9.865 4.320 -11.798 459 HB3 ALA 57 2HB ALA 57 11.380 5.131 -11.396 460 H GLY 58 H GLY 58 8.462 6.722 -8.311 461 HA2 GLY 58 1HA GLY 58 6.035 7.134 -9.501 462 HA3 GLY 58 2HA GLY 58 5.914 5.518 -8.815 463 H THR 59 H THR 59 4.443 7.920 -8.082 464 HA THR 59 HA THR 59 5.537 8.602 -5.449 465 HB THR 59 HB THR 59 3.163 9.815 -6.876 466 HG1 THR 59 HG1 THR 59 5.894 10.675 -6.745 467 HG21 THR 59 3HG2 THR 59 4.808 10.803 -4.537 468 HG22 THR 59 1HG2 THR 59 3.165 10.163 -4.447 469 HG23 THR 59 2HG2 THR 59 3.478 11.671 -5.305 470 H LEU 60 H LEU 60 4.890 7.365 -3.803 471 HA LEU 60 HA LEU 60 2.225 6.144 -3.896 472 HB2 LEU 60 1HB LEU 60 4.160 4.651 -3.554 473 HB3 LEU 60 2HB LEU 60 4.577 5.539 -2.102 474 HG LEU 60 HG LEU 60 2.453 4.827 -1.071 475 HD11 LEU 60 1HD1 LEU 60 1.102 3.098 -2.126 476 HD12 LEU 60 2HD1 LEU 60 2.128 3.160 -3.561 477 HD13 LEU 60 3HD1 LEU 60 1.145 4.556 -3.118 478 HD21 LEU 60 3HD2 LEU 60 4.142 2.565 -2.133 479 HD22 LEU 60 1HD2 LEU 60 3.078 2.490 -0.727 480 HD23 LEU 60 2HD2 LEU 60 4.495 3.540 -0.707 481 H LYS 61 H LYS 61 0.641 7.027 -2.731 482 HA LYS 61 HA LYS 61 1.349 8.534 -0.304 483 HB2 LYS 61 1HB LYS 61 -0.475 9.386 -2.540 484 HB3 LYS 61 2HB LYS 61 -0.573 10.090 -0.934 485 HG2 LYS 61 1HG LYS 61 1.721 10.873 -1.124 486 HG3 LYS 61 2HG LYS 61 1.850 10.135 -2.722 487 HD2 LYS 61 1HD LYS 61 -0.212 12.212 -2.019 488 HD3 LYS 61 2HD LYS 61 1.363 12.607 -2.712 489 HE2 LYS 61 1HE LYS 61 0.881 11.394 -4.696 490 HE3 LYS 61 2HE LYS 61 -0.573 10.693 -3.991 491 HZ1 LYS 61 3HZ LYS 61 -0.263 13.612 -4.388 492 HZ2 LYS 61 1HZ LYS 61 -1.686 12.738 -4.095 493 HZ3 LYS 61 2HZ LYS 61 -0.899 12.598 -5.590 494 H MET 62 H MET 62 -0.299 8.717 1.258 495 HA MET 62 HA MET 62 -2.257 6.544 1.212 496 HB2 MET 62 1HB MET 62 -0.711 6.975 3.186 497 HB3 MET 62 2HB MET 62 -1.624 8.446 3.478 498 HG2 MET 62 1HG MET 62 -3.670 7.049 3.717 499 HG3 MET 62 2HG MET 62 -2.645 5.621 3.594 500 HE1 MET 62 3HE MET 62 -0.030 6.636 5.146 501 HE2 MET 62 1HE MET 62 -0.722 5.029 5.373 502 HE3 MET 62 2HE MET 62 -0.360 6.038 6.772 503 H SER 63 H SER 63 -4.467 7.125 2.137 504 HA SER 63 HA SER 63 -5.763 8.952 0.499 505 HB2 SER 63 1HB SER 63 -7.573 8.659 2.442 506 HB3 SER 63 2HB SER 63 -7.207 7.368 1.294 507 HG SER 63 HG SER 63 -6.782 7.475 3.990 508 H ASP 64 H ASP 64 -4.345 9.422 3.660 509 HA ASP 64 HA ASP 64 -5.647 11.965 4.072 510 HB2 ASP 64 1HB ASP 64 -3.502 10.490 5.590 511 HB3 ASP 64 2HB ASP 64 -4.054 12.098 6.047 512 H GLY 65 H GLY 65 -3.433 11.178 1.916 513 HA2 GLY 65 1HA GLY 65 -2.262 12.700 0.577 514 HA3 GLY 65 2HA GLY 65 -2.360 13.885 1.870 515 H THR 66 H THR 66 -1.425 11.297 3.470 516 HA THR 66 HA THR 66 1.208 12.132 3.905 517 HB THR 66 HB THR 66 0.263 9.313 4.403 518 HG1 THR 66 HG1 THR 66 -0.519 11.723 5.703 519 HG21 THR 66 3HG2 THR 66 1.616 9.577 6.451 520 HG22 THR 66 1HG2 THR 66 2.054 11.205 5.932 521 HG23 THR 66 2HG2 THR 66 2.572 9.808 4.986 522 H VAL 67 H VAL 67 2.877 11.983 2.528 523 HA VAL 67 HA VAL 67 2.897 10.052 0.380 524 HB VAL 67 HB VAL 67 5.074 11.962 1.274 525 HG11 VAL 67 1HG1 VAL 67 5.976 10.093 -0.001 526 HG12 VAL 67 2HG1 VAL 67 6.026 11.572 -0.960 527 HG13 VAL 67 3HG1 VAL 67 4.782 10.359 -1.271 528 HG21 VAL 67 3HG2 VAL 67 4.344 13.352 -0.603 529 HG22 VAL 67 1HG2 VAL 67 3.036 13.116 0.556 530 HG23 VAL 67 2HG2 VAL 67 3.049 12.208 -0.955 531 H LEU 68 H LEU 68 3.757 8.090 0.436 532 HA LEU 68 HA LEU 68 4.814 7.201 2.996 533 HB2 LEU 68 1HB LEU 68 4.004 5.575 0.587 534 HB3 LEU 68 2HB LEU 68 4.324 4.964 2.201 535 HG LEU 68 HG LEU 68 2.051 6.818 1.477 536 HD11 LEU 68 1HD1 LEU 68 2.027 3.867 2.073 537 HD12 LEU 68 2HD1 LEU 68 1.757 4.610 0.498 538 HD13 LEU 68 3HD1 LEU 68 0.612 4.885 1.811 539 HD21 LEU 68 3HD2 LEU 68 2.622 5.333 4.043 540 HD22 LEU 68 1HD2 LEU 68 1.222 6.353 3.707 541 HD23 LEU 68 2HD2 LEU 68 2.831 7.070 3.788 542 H LEU 69 H LEU 69 6.949 7.521 3.170 543 HA LEU 69 HA LEU 69 8.702 6.921 0.927 544 HB2 LEU 69 1HB LEU 69 9.106 8.204 3.605 545 HB3 LEU 69 2HB LEU 69 10.480 7.596 2.707 546 HG LEU 69 HG LEU 69 10.313 9.935 2.291 547 HD11 LEU 69 1HD1 LEU 69 10.030 10.000 -0.130 548 HD12 LEU 69 2HD1 LEU 69 9.238 8.424 -0.085 549 HD13 LEU 69 3HD1 LEU 69 10.935 8.572 0.378 550 HD21 LEU 69 3HD2 LEU 69 7.450 9.450 1.482 551 HD22 LEU 69 1HD2 LEU 69 8.317 10.979 1.331 552 HD23 LEU 69 2HD2 LEU 69 8.003 10.297 2.927 553 HA PRO 70 HA PRO 70 9.361 2.733 2.236 554 HB2 PRO 70 1HB PRO 70 11.887 3.062 0.714 555 HB3 PRO 70 2HB PRO 70 10.605 1.861 0.523 556 HG2 PRO 70 1HG PRO 70 10.870 3.834 -1.239 557 HG3 PRO 70 2HG PRO 70 9.262 3.300 -0.714 558 HD2 PRO 70 1HD PRO 70 10.836 5.702 0.145 559 HD3 PRO 70 2HD PRO 70 9.104 5.566 -0.230 560 H ASN 71 H ASN 71 11.320 1.411 3.025 561 HA ASN 71 HA ASN 71 12.933 0.998 4.571 562 HB2 ASN 71 1HB ASN 71 14.393 2.675 3.675 563 HB3 ASN 71 2HB ASN 71 13.446 3.972 4.396 564 HD21 ASN 71 2HD2 ASN 71 15.788 1.470 4.967 565 HD22 ASN 71 1HD2 ASN 71 16.257 1.991 6.552 566 H ASP 72 H ASP 72 11.205 3.993 5.402 567 HA ASP 72 HA ASP 72 11.073 3.219 8.195 568 HB2 ASP 72 1HB ASP 72 11.417 5.599 7.371 569 HB3 ASP 72 2HB ASP 72 9.739 5.579 6.845 570 H LEU 73 H LEU 73 8.933 3.213 9.319 571 HA LEU 73 HA LEU 73 6.780 2.278 7.557 572 HB2 LEU 73 1HB LEU 73 6.255 0.408 8.886 573 HB3 LEU 73 2HB LEU 73 7.979 0.342 8.618 574 HG LEU 73 HG LEU 73 6.643 1.240 11.176 575 HD11 LEU 73 1HD1 LEU 73 8.095 -1.315 10.498 576 HD12 LEU 73 2HD1 LEU 73 6.357 -1.145 10.754 577 HD13 LEU 73 3HD1 LEU 73 7.476 -0.865 12.088 578 HD21 LEU 73 3HD2 LEU 73 8.793 2.324 10.878 579 HD22 LEU 73 1HD2 LEU 73 9.550 0.769 10.535 580 HD23 LEU 73 2HD2 LEU 73 8.890 1.094 12.137 581 H TYR 74 H TYR 74 5.001 3.388 7.825 582 HA TYR 74 HA TYR 74 4.847 5.193 10.120 583 HB2 TYR 74 1HB TYR 74 3.161 5.174 7.607 584 HB3 TYR 74 2HB TYR 74 3.211 6.440 8.826 585 HD1 TYR 74 HD1 TYR 74 6.340 6.255 9.101 586 HD2 TYR 74 HD2 TYR 74 3.688 6.675 5.802 587 HE1 TYR 74 HE1 TYR 74 8.107 7.398 7.831 588 HE2 TYR 74 HE2 TYR 74 5.450 7.816 4.526 589 HH TYR 74 HH TYR 74 8.706 7.861 5.519 590 HA PRO 75 HA PRO 75 1.417 3.008 11.931 591 HB2 PRO 75 1HB PRO 75 0.144 5.075 13.162 592 HB3 PRO 75 2HB PRO 75 1.629 4.350 13.786 593 HG2 PRO 75 1HG PRO 75 1.258 6.864 12.211 594 HG3 PRO 75 2HG PRO 75 2.333 6.549 13.585 595 HD2 PRO 75 1HD PRO 75 3.196 6.576 11.008 596 HD3 PRO 75 2HD PRO 75 3.940 5.570 12.266 597 H LEU 76 H LEU 76 -0.606 2.452 11.318 598 HA LEU 76 HA LEU 76 -1.723 3.813 9.021 599 HB2 LEU 76 1HB LEU 76 -2.417 1.267 10.464 600 HB3 LEU 76 2HB LEU 76 -3.419 1.905 9.175 601 HG LEU 76 HG LEU 76 -0.509 1.153 8.875 602 HD11 LEU 76 1HD1 LEU 76 -3.009 -0.308 8.030 603 HD12 LEU 76 2HD1 LEU 76 -1.853 -0.826 9.259 604 HD13 LEU 76 3HD1 LEU 76 -1.364 -0.745 7.566 605 HD21 LEU 76 3HD2 LEU 76 -0.954 1.403 6.483 606 HD22 LEU 76 1HD2 LEU 76 -1.215 2.917 7.352 607 HD23 LEU 76 2HD2 LEU 76 -2.595 1.941 6.845 608 HA PRO 77 HA PRO 77 -4.751 6.213 11.155 609 HB2 PRO 77 1HB PRO 77 -6.672 6.288 9.199 610 HB3 PRO 77 2HB PRO 77 -5.224 7.302 9.206 611 HG2 PRO 77 1HG PRO 77 -5.751 4.758 7.715 612 HG3 PRO 77 2HG PRO 77 -4.940 6.236 7.161 613 HD2 PRO 77 1HD PRO 77 -3.556 4.044 7.901 614 HD3 PRO 77 2HD PRO 77 -2.949 5.684 8.203 615 H GLY 78 H GLY 78 -5.888 3.312 9.424 616 HA2 GLY 78 1HA GLY 78 -7.064 2.131 11.645 617 HA3 GLY 78 2HA GLY 78 -8.316 3.077 10.856 618 H GLU 79 H GLU 79 -9.550 1.374 10.226 619 HA GLU 79 HA GLU 79 -8.508 -0.986 9.033 620 HB2 GLU 79 1HB GLU 79 -11.342 0.075 9.043 621 HB3 GLU 79 2HB GLU 79 -10.861 -1.565 8.639 622 HG2 GLU 79 1HG GLU 79 -11.588 -1.796 10.801 623 HG3 GLU 79 2HG GLU 79 -9.853 -1.600 11.015 624 H THR 80 H THR 80 -10.501 1.656 7.691 625 HA THR 80 HA THR 80 -9.827 0.695 5.013 626 HB THR 80 HB THR 80 -11.674 2.331 4.326 627 HG1 THR 80 HG1 THR 80 -13.165 2.785 6.045 628 HG21 THR 80 3HG2 THR 80 -12.353 -0.043 6.059 629 HG22 THR 80 1HG2 THR 80 -11.989 -0.081 4.334 630 HG23 THR 80 2HG2 THR 80 -13.446 0.731 4.911 631 H PHE 81 H PHE 81 -8.217 1.650 4.009 632 HA PHE 81 HA PHE 81 -8.134 4.556 3.966 633 HB2 PHE 81 1HB PHE 81 -5.631 4.529 4.186 634 HB3 PHE 81 2HB PHE 81 -6.503 4.125 5.657 635 HD1 PHE 81 HD2 PHE 81 -6.562 1.790 6.454 636 HD2 PHE 81 HD1 PHE 81 -4.170 2.982 3.140 637 HE1 PHE 81 HE2 PHE 81 -5.243 -0.271 6.671 638 HE2 PHE 81 HE1 PHE 81 -2.845 0.919 3.354 639 HZ PHE 81 HZ PHE 81 -3.382 -0.708 5.121 640 H ARG 82 H ARG 82 -6.746 5.366 2.181 641 HA ARG 82 HA ARG 82 -7.025 3.519 -0.106 642 HB2 ARG 82 1HB ARG 82 -6.955 6.523 -0.315 643 HB3 ARG 82 2HB ARG 82 -7.577 5.362 -1.478 644 HG2 ARG 82 1HG ARG 82 -8.842 5.817 1.210 645 HG3 ARG 82 2HG ARG 82 -9.287 6.728 -0.232 646 HD2 ARG 82 1HD ARG 82 -9.328 3.729 -0.175 647 HD3 ARG 82 2HD ARG 82 -10.699 4.687 0.380 648 HE ARG 82 HE ARG 82 -9.611 4.888 -2.360 649 HH11 ARG 82 1HH1 ARG 82 -12.277 4.770 -0.111 650 HH12 ARG 82 2HH1 ARG 82 -13.501 4.823 -1.341 651 HH21 ARG 82 1HH2 ARG 82 -11.190 4.938 -4.004 652 HH22 ARG 82 2HH2 ARG 82 -12.874 4.918 -3.569 653 H LEU 83 H LEU 83 -5.160 2.941 -1.083 654 HA LEU 83 HA LEU 83 -2.788 4.597 -0.591 655 HB2 LEU 83 1HB LEU 83 -3.025 1.792 -1.678 656 HB3 LEU 83 2HB LEU 83 -1.514 2.653 -1.460 657 HG LEU 83 HG LEU 83 -3.413 1.813 0.732 658 HD11 LEU 83 1HD1 LEU 83 -0.652 0.845 0.011 659 HD12 LEU 83 2HD1 LEU 83 -2.159 -0.038 -0.233 660 HD13 LEU 83 3HD1 LEU 83 -1.602 0.322 1.401 661 HD21 LEU 83 3HD2 LEU 83 -0.750 3.225 0.913 662 HD22 LEU 83 1HD2 LEU 83 -1.706 2.635 2.272 663 HD23 LEU 83 2HD2 LEU 83 -2.326 3.939 1.259 664 H TYR 84 H TYR 84 -2.324 6.038 -2.085 665 HA TYR 84 HA TYR 84 -3.299 5.607 -4.820 666 HB2 TYR 84 1HB TYR 84 -2.434 8.118 -3.378 667 HB3 TYR 84 2HB TYR 84 -2.817 8.064 -5.095 668 HD1 TYR 84 HD2 TYR 84 -5.123 7.621 -5.836 669 HD2 TYR 84 HD1 TYR 84 -4.156 8.089 -1.720 670 HE1 TYR 84 HE2 TYR 84 -7.502 7.952 -5.323 671 HE2 TYR 84 HE1 TYR 84 -6.535 8.419 -1.193 672 HH TYR 84 HH TYR 84 -9.003 7.657 -3.355 673 H TYR 85 H TYR 85 -1.783 4.511 -5.940 674 HA TYR 85 HA TYR 85 0.970 5.485 -5.779 675 HB2 TYR 85 1HB TYR 85 0.806 3.073 -5.681 676 HB3 TYR 85 2HB TYR 85 -0.164 3.038 -7.154 677 HD1 TYR 85 HD2 TYR 85 3.142 4.323 -5.974 678 HD2 TYR 85 HD1 TYR 85 0.919 2.545 -9.136 679 HE1 TYR 85 HE2 TYR 85 5.180 4.223 -7.342 680 HE2 TYR 85 HE1 TYR 85 2.952 2.447 -10.513 681 HH TYR 85 HH TYR 85 6.064 3.008 -9.254 682 H THR 86 H THR 86 1.381 7.151 -7.001 683 HA THR 86 HA THR 86 0.034 7.527 -9.548 684 HB THR 86 HB THR 86 2.262 9.210 -8.393 685 HG1 THR 86 HG1 THR 86 0.005 8.773 -7.222 686 HG21 THR 86 3HG2 THR 86 1.186 10.993 -9.719 687 HG22 THR 86 1HG2 THR 86 0.024 9.820 -10.332 688 HG23 THR 86 2HG2 THR 86 1.736 9.657 -10.731 689 H SER 87 H SER 87 0.758 6.161 -11.070 690 HA SER 87 HA SER 87 3.388 5.086 -11.065 691 HB2 SER 87 1HB SER 87 1.390 3.891 -11.962 692 HB3 SER 87 2HB SER 87 1.345 5.035 -13.303 693 HG SER 87 HG SER 87 2.772 3.827 -14.240 694 H ALA 88 H ALA 88 5.170 5.889 -11.883 695 HA ALA 88 HA ALA 88 4.973 7.961 -13.969 696 HB1 ALA 88 3HB ALA 88 7.169 7.548 -11.934 697 HB2 ALA 88 1HB ALA 88 5.945 8.818 -11.890 698 HB3 ALA 88 2HB ALA 88 7.143 8.792 -13.186 699 H SER 89 H SER 89 5.132 4.906 -13.924 700 HA SER 89 HA SER 89 7.392 4.657 -15.773 701 HB2 SER 89 1HB SER 89 6.728 2.701 -13.558 702 HB3 SER 89 2HB SER 89 8.021 2.524 -14.747 703 HG SER 89 HG SER 89 7.950 3.991 -12.446 704 H THR 90 H THR 90 7.123 3.254 -17.453 705 HA THR 90 HA THR 90 4.543 1.853 -17.674 706 HB THR 90 HB THR 90 6.453 2.354 -19.953 707 HG1 THR 90 HG1 THR 90 4.299 4.098 -19.326 708 HG21 THR 90 3HG2 THR 90 4.612 0.783 -20.314 709 HG22 THR 90 1HG2 THR 90 4.403 2.241 -21.285 710 HG23 THR 90 2HG2 THR 90 3.457 2.019 -19.814 711 H ASP 91 H ASP 91 7.698 1.440 -16.871 712 HA ASP 91 HA ASP 91 8.158 -1.110 -18.188 713 HB2 ASP 91 1HB ASP 91 9.858 0.366 -16.160 714 HB3 ASP 91 2HB ASP 91 10.348 -1.050 -17.081 715 H GLN 92 H GLN 92 9.523 -2.504 -16.272 716 HA GLN 92 HA GLN 92 7.499 -3.660 -14.664 717 HB2 GLN 92 1HB GLN 92 9.469 -4.918 -15.426 718 HB3 GLN 92 2HB GLN 92 10.513 -3.877 -14.467 719 HG2 GLN 92 1HG GLN 92 9.130 -4.681 -12.462 720 HG3 GLN 92 2HG GLN 92 8.574 -5.958 -13.542 721 HE21 GLN 92 2HE2 GLN 92 9.559 -7.579 -12.370 722 HE22 GLN 92 1HE2 GLN 92 11.280 -7.802 -12.331 723 H GLN 93 H GLN 93 6.604 -2.641 -12.958 724 HA GLN 93 HA GLN 93 8.422 -1.195 -11.142 725 HB2 GLN 93 1HB GLN 93 6.946 0.393 -12.165 726 HB3 GLN 93 2HB GLN 93 5.546 -0.619 -11.848 727 HG2 GLN 93 1HG GLN 93 5.556 1.212 -10.313 728 HG3 GLN 93 2HG GLN 93 5.885 -0.275 -9.431 729 HE21 GLN 93 2HE2 GLN 93 6.829 0.809 -7.743 730 HE22 GLN 93 1HE2 GLN 93 8.380 1.553 -7.853 731 H THR 94 H THR 94 8.777 -2.406 -9.406 732 HA THR 94 HA THR 94 6.545 -4.021 -8.363 733 HB THR 94 HB THR 94 9.493 -4.308 -7.756 734 HG1 THR 94 HG1 THR 94 9.542 -5.295 -9.615 735 HG21 THR 94 3HG2 THR 94 8.839 -6.490 -6.840 736 HG22 THR 94 1HG2 THR 94 7.146 -6.117 -7.165 737 HG23 THR 94 2HG2 THR 94 8.047 -5.169 -5.981 738 H VAL 95 H VAL 95 5.605 -3.454 -6.536 739 HA VAL 95 HA VAL 95 7.066 -1.716 -4.649 740 HB VAL 95 HB VAL 95 4.073 -1.713 -5.080 741 HG11 VAL 95 1HG1 VAL 95 4.702 -1.066 -2.844 742 HG12 VAL 95 2HG1 VAL 95 4.146 0.352 -3.736 743 HG13 VAL 95 3HG1 VAL 95 5.873 0.095 -3.473 744 HG21 VAL 95 3HG2 VAL 95 5.211 -0.821 -7.055 745 HG22 VAL 95 1HG2 VAL 95 6.082 0.321 -6.032 746 HG23 VAL 95 2HG2 VAL 95 4.330 0.435 -6.185 747 H ASP 96 H ASP 96 7.510 -2.808 -2.849 748 HA ASP 96 HA ASP 96 5.745 -5.003 -2.033 749 HB2 ASP 96 1HB ASP 96 8.528 -4.216 -1.155 750 HB3 ASP 96 2HB ASP 96 7.593 -5.486 -0.374 751 H VAL 97 H VAL 97 4.199 -4.557 -0.632 752 HA VAL 97 HA VAL 97 4.587 -2.311 1.238 753 HB VAL 97 HB VAL 97 1.974 -3.597 0.425 754 HG11 VAL 97 1HG1 VAL 97 0.969 -1.589 1.399 755 HG12 VAL 97 2HG1 VAL 97 2.570 -1.016 1.866 756 HG13 VAL 97 3HG1 VAL 97 1.915 -2.484 2.589 757 HG21 VAL 97 3HG2 VAL 97 1.612 -1.608 -0.975 758 HG22 VAL 97 1HG2 VAL 97 2.997 -2.557 -1.519 759 HG23 VAL 97 2HG2 VAL 97 3.251 -1.067 -0.611 760 H TYR 98 H TYR 98 4.857 -2.791 3.328 761 HA TYR 98 HA TYR 98 4.228 -5.534 4.211 762 HB2 TYR 98 1HB TYR 98 6.213 -3.584 5.399 763 HB3 TYR 98 2HB TYR 98 5.978 -5.259 5.881 764 HD1 TYR 98 HD1 TYR 98 6.818 -7.080 4.502 765 HD2 TYR 98 HD2 TYR 98 7.415 -3.026 3.367 766 HE1 TYR 98 HE1 TYR 98 8.524 -7.788 2.882 767 HE2 TYR 98 HE2 TYR 98 9.119 -3.724 1.742 768 HH TYR 98 HH TYR 98 9.548 -6.937 0.790 769 H PHE 99 H PHE 99 2.621 -5.764 5.628 770 HA PHE 99 HA PHE 99 1.849 -3.441 7.266 771 HB2 PHE 99 1HB PHE 99 0.255 -5.874 6.437 772 HB3 PHE 99 2HB PHE 99 -0.328 -4.640 7.547 773 HD1 PHE 99 HD1 PHE 99 -0.774 -2.361 6.732 774 HD2 PHE 99 HD2 PHE 99 0.264 -5.530 4.089 775 HE1 PHE 99 HE1 PHE 99 -1.636 -1.057 4.835 776 HE2 PHE 99 HE2 PHE 99 -0.592 -4.225 2.187 777 HZ PHE 99 HZ PHE 99 -1.546 -1.987 2.556 778 H GLN 100 H GLN 100 2.582 -3.538 9.290 779 HA GLN 100 HA GLN 100 3.020 -6.181 10.500 780 HB2 GLN 100 1HB GLN 100 5.039 -4.838 10.299 781 HB3 GLN 100 2HB GLN 100 4.264 -3.499 11.132 782 HG2 GLN 100 1HG GLN 100 4.259 -4.667 13.190 783 HG3 GLN 100 2HG GLN 100 4.705 -6.185 12.408 784 HE21 GLN 100 2HE2 GLN 100 5.832 -3.036 13.416 785 HE22 GLN 100 1HE2 GLN 100 7.526 -3.387 13.315 786 H ASP 101 H ASP 101 1.632 -6.807 11.951 787 HA ASP 101 HA ASP 101 -0.046 -4.829 13.333 788 HB2 ASP 101 1HB ASP 101 -1.427 -6.344 12.179 789 HB3 ASP 101 2HB ASP 101 -0.419 -7.723 12.597 790 H SER 102 H SER 102 -0.711 -5.472 15.595 791 HA SER 102 HA SER 102 1.692 -5.635 17.138 792 HB2 SER 102 1HB SER 102 -0.172 -4.125 17.724 793 HB3 SER 102 2HB SER 102 -1.189 -5.525 18.062 794 HG SER 102 HG SER 102 0.601 -6.099 19.591 795 H PHE 103 H PHE 103 -0.589 -7.998 16.071 796 HA PHE 103 HA PHE 103 -0.004 -9.828 18.244 797 HB2 PHE 103 1HB PHE 103 -1.626 -10.072 15.720 798 HB3 PHE 103 2HB PHE 103 -1.272 -11.473 16.724 799 HD1 PHE 103 HD2 PHE 103 -2.112 -11.562 19.053 800 HD2 PHE 103 HD1 PHE 103 -3.284 -8.496 16.347 801 HE1 PHE 103 HE2 PHE 103 -4.027 -11.021 20.503 802 HE2 PHE 103 HE1 PHE 103 -5.199 -7.950 17.791 803 HZ PHE 103 HZ PHE 103 -5.573 -9.212 19.869 804 H GLY 104 H GLY 104 1.866 -8.746 15.898 805 HA2 GLY 104 1HA GLY 104 4.003 -9.617 15.415 806 HA3 GLY 104 2HA GLY 104 3.421 -11.219 15.847 807 H GLN 105 H GLN 105 1.101 -9.889 13.981 808 HA GLN 105 HA GLN 105 1.713 -11.566 11.755 809 HB2 GLN 105 1HB GLN 105 -0.592 -11.236 12.443 810 HB3 GLN 105 2HB GLN 105 -0.456 -9.506 12.178 811 HG2 GLN 105 1HG GLN 105 -1.674 -10.565 10.378 812 HG3 GLN 105 2HG GLN 105 -0.158 -9.881 9.795 813 HE21 GLN 105 2HE2 GLN 105 -1.914 -12.792 10.469 814 HE22 GLN 105 1HE2 GLN 105 -0.874 -13.866 9.604 815 H LEU 106 H LEU 106 2.878 -11.082 10.029 816 HA LEU 106 HA LEU 106 3.052 -8.263 9.211 817 HB2 LEU 106 1HB LEU 106 5.192 -8.981 10.173 818 HB3 LEU 106 2HB LEU 106 5.241 -10.339 9.067 819 HG LEU 106 HG LEU 106 5.389 -8.765 7.163 820 HD11 LEU 106 1HD1 LEU 106 4.272 -6.849 8.201 821 HD12 LEU 106 2HD1 LEU 106 5.857 -6.417 7.562 822 HD13 LEU 106 3HD1 LEU 106 5.639 -6.651 9.297 823 HD21 LEU 106 3HD2 LEU 106 7.399 -9.720 8.180 824 HD22 LEU 106 1HD2 LEU 106 7.487 -8.346 9.283 825 HD23 LEU 106 2HD2 LEU 106 7.686 -8.099 7.547 826 H GLN 107 H GLN 107 2.022 -8.016 7.384 827 HA GLN 107 HA GLN 107 1.905 -10.267 5.493 828 HB2 GLN 107 1HB GLN 107 -0.005 -8.022 6.084 829 HB3 GLN 107 2HB GLN 107 -0.076 -8.893 4.559 830 HG2 GLN 107 1HG GLN 107 -0.294 -10.174 7.274 831 HG3 GLN 107 2HG GLN 107 -1.663 -9.725 6.257 832 HE21 GLN 107 2HE2 GLN 107 -2.051 -10.885 4.362 833 HE22 GLN 107 1HE2 GLN 107 -1.349 -12.437 4.073 834 H GLN 108 H GLN 108 3.359 -10.027 3.942 835 HA GLN 108 HA GLN 108 3.904 -7.338 2.946 836 HB2 GLN 108 1HB GLN 108 5.820 -8.416 1.756 837 HB3 GLN 108 2HB GLN 108 5.902 -8.511 3.507 838 HG2 GLN 108 1HG GLN 108 5.046 -10.834 3.370 839 HG3 GLN 108 2HG GLN 108 5.123 -10.712 1.611 840 HE21 GLN 108 2HE2 GLN 108 6.639 -12.360 1.452 841 HE22 GLN 108 1HE2 GLN 108 8.289 -12.145 1.924 842 H LEU 109 H LEU 109 2.681 -6.694 1.361 843 HA LEU 109 HA LEU 109 1.675 -8.643 -0.592 844 HB2 LEU 109 1HB LEU 109 0.851 -5.764 -0.165 845 HB3 LEU 109 2HB LEU 109 0.085 -6.910 -1.246 846 HG LEU 109 HG LEU 109 0.121 -7.098 1.769 847 HD11 LEU 109 1HD1 LEU 109 -1.297 -5.294 0.925 848 HD12 LEU 109 2HD1 LEU 109 -2.251 -6.602 1.623 849 HD13 LEU 109 3HD1 LEU 109 -2.124 -6.441 -0.129 850 HD21 LEU 109 3HD2 LEU 109 -1.286 -8.811 -0.275 851 HD22 LEU 109 1HD2 LEU 109 -1.454 -8.939 1.476 852 HD23 LEU 109 2HD2 LEU 109 0.094 -9.303 0.707 853 H THR 110 H THR 110 2.892 -8.851 -2.343 854 HA THR 110 HA THR 110 4.578 -6.613 -3.185 855 HB THR 110 HB THR 110 4.615 -9.493 -4.113 856 HG1 THR 110 HG1 THR 110 6.519 -8.230 -2.408 857 HG21 THR 110 3HG2 THR 110 5.552 -7.931 -5.749 858 HG22 THR 110 1HG2 THR 110 6.815 -8.928 -5.031 859 HG23 THR 110 2HG2 THR 110 6.609 -7.256 -4.509 860 H PHE 111 H PHE 111 3.713 -5.296 -4.646 861 HA PHE 111 HA PHE 111 1.966 -6.455 -6.717 862 HB2 PHE 111 1HB PHE 111 2.217 -3.577 -5.802 863 HB3 PHE 111 2HB PHE 111 1.162 -4.141 -7.091 864 HD1 PHE 111 HD2 PHE 111 -0.769 -5.600 -6.552 865 HD2 PHE 111 HD1 PHE 111 1.605 -3.773 -3.532 866 HE1 PHE 111 HE2 PHE 111 -2.557 -5.999 -4.911 867 HE2 PHE 111 HE1 PHE 111 -0.181 -4.166 -1.886 868 HZ PHE 111 HZ PHE 111 -2.266 -5.277 -2.575 869 H SER 112 H SER 112 2.919 -6.746 -8.630 870 HA SER 112 HA SER 112 5.053 -4.870 -9.388 871 HB2 SER 112 1HB SER 112 5.812 -7.248 -8.918 872 HB3 SER 112 2HB SER 112 4.865 -7.743 -10.320 873 HG SER 112 HG SER 112 7.179 -6.128 -10.204 874 H PHE 113 H PHE 113 4.446 -3.596 -10.954 875 HA PHE 113 HA PHE 113 2.220 -4.401 -12.684 876 HB2 PHE 113 1HB PHE 113 3.442 -1.657 -12.292 877 HB3 PHE 113 2HB PHE 113 1.973 -2.027 -13.189 878 HD1 PHE 113 HD2 PHE 113 -0.029 -2.875 -11.947 879 HD2 PHE 113 HD1 PHE 113 3.401 -1.317 -9.974 880 HE1 PHE 113 HE2 PHE 113 -1.358 -2.553 -9.904 881 HE2 PHE 113 HE1 PHE 113 2.082 -0.991 -7.924 882 HZ PHE 113 HZ PHE 113 -0.303 -1.610 -7.887 883 H ASN 114 H ASN 114 2.930 -5.418 -14.444 884 HA ASN 114 HA ASN 114 4.493 -3.919 -16.325 885 HB2 ASN 114 1HB ASN 114 6.209 -5.134 -14.899 886 HB3 ASN 114 2HB ASN 114 5.552 -6.640 -15.534 887 HD21 ASN 114 2HD2 ASN 114 7.681 -7.020 -16.373 888 HD22 ASN 114 1HD2 ASN 114 8.175 -6.263 -17.853 889 H ASN 115 H ASN 115 4.367 -4.815 -18.461 890 HA ASN 115 HA ASN 115 1.750 -6.009 -18.783 891 HB2 ASN 115 1HB ASN 115 1.957 -5.409 -21.128 892 HB3 ASN 115 2HB ASN 115 2.402 -4.040 -20.118 893 HD21 ASN 115 2HD2 ASN 115 3.069 -4.580 -22.874 894 HD22 ASN 115 1HD2 ASN 115 4.801 -4.598 -22.966 895 H ASP 116 H ASP 116 4.718 -7.323 -18.380 896 HA ASP 116 HA ASP 116 4.559 -9.374 -20.415 897 HB2 ASP 116 1HB ASP 116 6.652 -10.072 -19.697 898 HB3 ASP 116 2HB ASP 116 6.696 -8.371 -19.246 899 H SER 117 H SER 117 3.108 -8.807 -17.466 900 HA SER 117 HA SER 117 3.114 -11.280 -16.189 901 HB2 SER 117 1HB SER 117 2.309 -9.115 -15.222 902 HB3 SER 117 2HB SER 117 0.855 -9.267 -16.203 903 HG SER 117 HG SER 117 1.139 -10.173 -13.827 904 H SER 118 H SER 118 1.165 -10.088 -18.842 905 HA SER 118 HA SER 118 0.109 -12.794 -19.188 906 HB2 SER 118 1HB SER 118 -2.106 -11.796 -19.830 907 HB3 SER 118 2HB SER 118 -1.695 -11.603 -18.126 908 HG SER 118 HG SER 118 -0.978 -9.587 -19.951 909 H LYS 119 H LYS 119 0.879 -13.461 -21.055 910 HA LYS 119 HA LYS 119 0.680 -11.651 -23.366 911 HB2 LYS 119 1HB LYS 119 2.728 -12.732 -24.279 912 HB3 LYS 119 2HB LYS 119 3.023 -11.814 -22.811 913 HG2 LYS 119 1HG LYS 119 2.905 -13.962 -21.539 914 HG3 LYS 119 2HG LYS 119 2.846 -14.800 -23.092 915 HD2 LYS 119 1HD LYS 119 5.120 -14.794 -22.334 916 HD3 LYS 119 2HD LYS 119 4.994 -13.681 -23.697 917 HE2 LYS 119 1HE LYS 119 4.831 -11.799 -22.114 918 HE3 LYS 119 2HE LYS 119 5.019 -12.930 -20.776 919 HZ1 LYS 119 3HZ LYS 119 7.013 -12.247 -22.861 920 HZ2 LYS 119 1HZ LYS 119 7.189 -13.573 -21.817 921 HZ3 LYS 119 2HZ LYS 119 7.133 -12.005 -21.186 922 H GLU 120 H GLU 120 0.037 -12.601 -25.304 923 HA GLU 120 HA GLU 120 -1.240 -13.965 -26.588 924 HB2 GLU 120 1HB GLU 120 0.147 -16.091 -24.948 925 HB3 GLU 120 2HB GLU 120 -0.952 -16.461 -26.267 926 HG2 GLU 120 1HG GLU 120 0.531 -15.131 -27.772 927 HG3 GLU 120 2HG GLU 120 1.673 -15.012 -26.434 928 H GLU 121 H GLU 121 -2.307 -12.846 -24.133 929 HA GLU 121 HA GLU 121 -4.449 -14.808 -23.643 930 HB2 GLU 121 1HB GLU 121 -2.823 -14.494 -21.713 931 HB3 GLU 121 2HB GLU 121 -3.425 -12.849 -21.584 932 HG2 GLU 121 1HG GLU 121 -4.438 -14.465 -19.986 933 HG3 GLU 121 2HG GLU 121 -5.597 -13.603 -20.995 934 H GLU 122 H GLU 122 -6.322 -13.436 -22.419 935 HA GLU 122 HA GLU 122 -8.035 -11.998 -22.690 936 HB2 GLU 122 1HB GLU 122 -5.915 -10.226 -23.903 937 HB3 GLU 122 2HB GLU 122 -7.590 -9.729 -23.720 938 HG2 GLU 122 1HG GLU 122 -7.398 -10.085 -21.291 939 HG3 GLU 122 2HG GLU 122 -5.696 -10.488 -21.508 940 H LEU 123 H LEU 123 -8.772 -13.715 -24.060 941 HA LEU 123 HA LEU 123 -9.082 -12.813 -26.847 942 HB2 LEU 123 1HB LEU 123 -7.625 -14.794 -26.710 943 HB3 LEU 123 2HB LEU 123 -8.881 -15.658 -25.847 944 HG LEU 123 HG LEU 123 -10.333 -15.476 -27.862 945 HD11 LEU 123 1HD1 LEU 123 -9.321 -14.832 -29.987 946 HD12 LEU 123 2HD1 LEU 123 -7.830 -14.396 -29.154 947 HD13 LEU 123 3HD1 LEU 123 -9.309 -13.488 -28.848 948 HD21 LEU 123 3HD2 LEU 123 -9.114 -17.155 -29.179 949 HD22 LEU 123 1HD2 LEU 123 -9.046 -17.496 -27.449 950 HD23 LEU 123 2HD2 LEU 123 -7.649 -16.792 -28.267 951 H GLU 124 H GLU 124 -10.463 -14.373 -24.041 952 HA GLU 124 HA GLU 124 -12.565 -14.698 -23.301 953 HB2 GLU 124 1HB GLU 124 -13.230 -12.623 -25.390 954 HB3 GLU 124 2HB GLU 124 -14.381 -13.241 -24.212 955 HG2 GLU 124 1HG GLU 124 -11.846 -11.727 -23.619 956 HG3 GLU 124 2HG GLU 124 -13.497 -11.124 -23.473 957 H HIS 125 H HIS 125 -12.981 -16.735 -23.701 958 HA HIS 125 HA HIS 125 -13.081 -18.023 -26.130 959 HB2 HIS 125 1HB HIS 125 -14.251 -19.862 -24.947 960 HB3 HIS 125 2HB HIS 125 -12.852 -19.260 -24.072 961 HD1 HIS 125 HD1 HIS 125 -13.328 -17.910 -21.867 962 HD2 HIS 125 HD2 HIS 125 -16.685 -19.610 -23.645 963 HE1 HIS 125 HE1 HIS 125 -15.136 -17.847 -20.115 964 HE2 HIS 125 HE2 HIS 125 -17.170 -18.847 -21.219 965 H HIS 126 H HIS 126 -14.383 -18.123 -27.742 966 HA HIS 126 HA HIS 126 -16.158 -17.874 -29.113 967 HB2 HIS 126 1HB HIS 126 -16.903 -19.753 -27.596 968 HB3 HIS 126 2HB HIS 126 -17.843 -18.560 -26.706 969 HD1 HIS 126 HD1 HIS 126 -20.168 -18.223 -27.499 970 HD2 HIS 126 HD2 HIS 126 -17.738 -19.867 -30.454 971 HE1 HIS 126 HE1 HIS 126 -21.695 -18.740 -29.428 972 HE2 HIS 126 HE2 HIS 126 -20.219 -19.764 -31.194 973 H HIS 127 H HIS 127 -15.256 -15.493 -28.197 974 HA HIS 127 HA HIS 127 -15.839 -13.306 -28.529 975 HB2 HIS 127 1HB HIS 127 -17.773 -14.595 -29.878 976 HB3 HIS 127 2HB HIS 127 -18.759 -13.852 -28.629 977 HD1 HIS 127 HD1 HIS 127 -18.237 -13.280 -31.885 978 HD2 HIS 127 HD2 HIS 127 -17.548 -10.853 -28.581 979 HE1 HIS 127 HE1 HIS 127 -18.229 -10.922 -32.767 980 HE2 HIS 127 HE2 HIS 127 -18.039 -9.473 -30.715 981 H HIS 128 H HIS 128 -16.931 -15.225 -26.036 982 HA HIS 128 HA HIS 128 -17.975 -14.969 -24.043 983 HB2 HIS 128 1HB HIS 128 -15.946 -13.531 -23.673 984 HB3 HIS 128 2HB HIS 128 -16.915 -12.134 -24.130 985 HD1 HIS 128 HD1 HIS 128 -16.156 -14.371 -21.292 986 HD2 HIS 128 HD2 HIS 128 -18.992 -11.481 -22.243 987 HE1 HIS 128 HE1 HIS 128 -17.282 -13.791 -19.126 988 HE2 HIS 128 HE2 HIS 128 -18.917 -11.964 -19.700 989 H HIS 129 H HIS 129 -19.989 -15.187 -25.149 990 HA HIS 129 HA HIS 129 -21.617 -12.741 -25.078 991 HB2 HIS 129 1HB HIS 129 -21.111 -13.167 -27.412 992 HB3 HIS 129 2HB HIS 129 -21.569 -14.856 -27.244 993 HD1 HIS 129 HD1 HIS 129 -23.003 -11.428 -27.686 994 HD2 HIS 129 HD2 HIS 129 -24.343 -15.352 -27.293 995 HE1 HIS 129 HE1 HIS 129 -25.427 -11.389 -28.343 996 HE2 HIS 129 HE2 HIS 129 -26.255 -13.739 -27.958 997 H HIS 130 H HIS 130 -23.645 -12.984 -24.251 998 HA HIS 130 HA HIS 130 -24.947 -15.511 -24.049 999 HB2 HIS 130 1HB HIS 130 -23.266 -15.617 -22.145 1000 HB3 HIS 130 2HB HIS 130 -24.123 -14.264 -21.415 1001 HD1 HIS 130 HD1 HIS 130 -24.143 -16.538 -19.630 1002 HD2 HIS 130 HD2 HIS 130 -26.885 -16.302 -22.753 1003 HE1 HIS 130 HE1 HIS 130 -26.033 -18.072 -18.996 1004 HE2 HIS 130 HE2 HIS 130 -27.600 -18.036 -20.970 Start of MODEL 13 1 H1 MET 1 1H MET 1 16.089 -25.011 15.047 2 H2 MET 1 2H MET 1 15.619 -26.636 15.104 3 H3 MET 1 3H MET 1 16.099 -25.846 16.525 4 HA MET 1 HA MET 1 14.195 -24.314 16.257 5 HB2 MET 1 1HB MET 1 13.884 -24.675 13.843 6 HB3 MET 1 2HB MET 1 13.420 -26.342 14.145 7 HG2 MET 1 1HG MET 1 11.454 -25.569 15.377 8 HG3 MET 1 2HG MET 1 11.926 -23.898 15.070 9 HE1 MET 1 3HE MET 1 8.794 -24.333 12.758 10 HE2 MET 1 1HE MET 1 9.537 -23.379 14.041 11 HE3 MET 1 2HE MET 1 9.039 -25.041 14.355 12 H ASN 2 H ASN 2 13.569 -24.806 18.255 13 HA ASN 2 HA ASN 2 12.247 -27.371 18.719 14 HB2 ASN 2 1HB ASN 2 13.468 -27.791 20.785 15 HB3 ASN 2 2HB ASN 2 14.595 -27.692 19.438 16 HD21 ASN 2 2HD2 ASN 2 14.922 -27.287 22.355 17 HD22 ASN 2 1HD2 ASN 2 15.640 -25.715 22.518 18 H ASP 3 H ASP 3 10.579 -27.272 20.138 19 HA ASP 3 HA ASP 3 8.889 -26.345 21.338 20 HB2 ASP 3 1HB ASP 3 11.340 -25.197 22.586 21 HB3 ASP 3 2HB ASP 3 9.779 -24.539 23.071 22 H ASP 4 H ASP 4 8.976 -25.289 18.872 23 HA ASP 4 HA ASP 4 8.802 -22.399 19.086 24 HB2 ASP 4 1HB ASP 4 9.684 -23.657 17.029 25 HB3 ASP 4 2HB ASP 4 8.005 -24.066 16.693 26 H VAL 5 H VAL 5 6.620 -21.663 17.672 27 HA VAL 5 HA VAL 5 4.555 -22.342 19.605 28 HB VAL 5 HB VAL 5 3.278 -20.486 18.617 29 HG11 VAL 5 1HG1 VAL 5 4.816 -19.994 20.426 30 HG12 VAL 5 2HG1 VAL 5 4.795 -18.662 19.271 31 HG13 VAL 5 3HG1 VAL 5 6.140 -19.801 19.275 32 HG21 VAL 5 3HG2 VAL 5 5.649 -20.199 16.774 33 HG22 VAL 5 1HG2 VAL 5 4.322 -19.049 16.918 34 HG23 VAL 5 2HG2 VAL 5 4.016 -20.675 16.309 35 H ASP 6 H ASP 6 2.590 -23.217 19.140 36 HA ASP 6 HA ASP 6 2.300 -24.487 16.511 37 HB2 ASP 6 1HB ASP 6 2.032 -25.814 18.660 38 HB3 ASP 6 2HB ASP 6 0.577 -24.876 18.976 39 H ILE 7 H ILE 7 -0.655 -24.594 16.800 40 HA ILE 7 HA ILE 7 -1.244 -22.014 15.657 41 HB ILE 7 HB ILE 7 -3.129 -24.287 16.318 42 HG12 ILE 7 1HG1 ILE 7 -1.811 -23.556 13.692 43 HG13 ILE 7 2HG1 ILE 7 -1.349 -24.916 14.711 44 HG21 ILE 7 1HG2 ILE 7 -3.486 -21.886 14.527 45 HG22 ILE 7 2HG2 ILE 7 -4.256 -22.134 16.095 46 HG23 ILE 7 3HG2 ILE 7 -4.647 -23.197 14.743 47 HD11 ILE 7 3HD1 ILE 7 -3.994 -24.546 13.325 48 HD12 ILE 7 1HD1 ILE 7 -3.569 -25.897 14.379 49 HD13 ILE 7 2HD1 ILE 7 -2.706 -25.662 12.859 50 H GLN 8 H GLN 8 -1.212 -20.411 17.119 51 HA GLN 8 HA GLN 8 -2.721 -20.752 19.618 52 HB2 GLN 8 1HB GLN 8 -0.410 -20.026 19.912 53 HB3 GLN 8 2HB GLN 8 -0.671 -18.675 18.820 54 HG2 GLN 8 1HG GLN 8 -2.357 -17.791 20.416 55 HG3 GLN 8 2HG GLN 8 -1.918 -19.088 21.524 56 HE21 GLN 8 2HE2 GLN 8 0.903 -19.002 20.834 57 HE22 GLN 8 1HE2 GLN 8 1.534 -17.566 21.572 58 H GLN 9 H GLN 9 -2.309 -18.659 16.815 59 HA GLN 9 HA GLN 9 -4.853 -17.346 17.500 60 HB2 GLN 9 1HB GLN 9 -2.855 -15.851 17.520 61 HB3 GLN 9 2HB GLN 9 -2.594 -16.230 15.824 62 HG2 GLN 9 1HG GLN 9 -4.784 -15.259 15.290 63 HG3 GLN 9 2HG GLN 9 -4.995 -14.841 16.990 64 HE21 GLN 9 2HE2 GLN 9 -3.763 -13.186 17.878 65 HE22 GLN 9 1HE2 GLN 9 -2.916 -12.044 16.899 66 H SER 10 H SER 10 -6.301 -18.557 16.390 67 HA SER 10 HA SER 10 -5.762 -19.413 13.684 68 HB2 SER 10 1HB SER 10 -8.268 -19.669 15.365 69 HB3 SER 10 2HB SER 10 -7.975 -20.478 13.824 70 HG SER 10 HG SER 10 -6.243 -21.577 14.791 71 H TYR 11 H TYR 11 -6.589 -16.528 14.921 72 HA TYR 11 HA TYR 11 -7.816 -15.729 12.398 73 HB2 TYR 11 1HB TYR 11 -9.662 -15.921 14.053 74 HB3 TYR 11 2HB TYR 11 -8.829 -14.762 15.087 75 HD1 TYR 11 HD2 TYR 11 -8.664 -12.392 14.414 76 HD2 TYR 11 HD1 TYR 11 -10.828 -15.205 12.071 77 HE1 TYR 11 HE2 TYR 11 -9.740 -10.544 13.203 78 HE2 TYR 11 HE1 TYR 11 -11.907 -13.364 10.851 79 HH TYR 11 HH TYR 11 -10.823 -10.363 10.718 80 HA PRO 12 HA PRO 12 -4.609 -12.657 13.282 81 HB2 PRO 12 1HB PRO 12 -3.409 -12.730 10.908 82 HB3 PRO 12 2HB PRO 12 -3.153 -14.032 12.076 83 HG2 PRO 12 1HG PRO 12 -4.851 -13.994 9.628 84 HG3 PRO 12 2HG PRO 12 -3.909 -15.325 10.324 85 HD2 PRO 12 1HD PRO 12 -6.674 -14.880 10.640 86 HD3 PRO 12 2HD PRO 12 -5.677 -16.019 11.563 87 H PHE 13 H PHE 13 -3.951 -10.873 11.353 88 HA PHE 13 HA PHE 13 -6.522 -9.691 10.603 89 HB2 PHE 13 1HB PHE 13 -3.753 -8.454 10.610 90 HB3 PHE 13 2HB PHE 13 -5.262 -7.610 10.277 91 HD1 PHE 13 HD2 PHE 13 -6.998 -7.496 12.132 92 HD2 PHE 13 HD1 PHE 13 -2.959 -8.659 12.789 93 HE1 PHE 13 HE2 PHE 13 -7.247 -6.991 14.529 94 HE2 PHE 13 HE1 PHE 13 -3.199 -8.159 15.187 95 HZ PHE 13 HZ PHE 13 -5.345 -7.319 16.059 96 H SER 14 H SER 14 -7.087 -9.405 8.510 97 HA SER 14 HA SER 14 -5.124 -10.134 6.450 98 HB2 SER 14 1HB SER 14 -8.045 -10.945 6.536 99 HB3 SER 14 2HB SER 14 -6.938 -11.264 5.200 100 HG SER 14 HG SER 14 -6.368 -12.985 6.241 101 H ILE 15 H ILE 15 -4.971 -8.747 4.805 102 HA ILE 15 HA ILE 15 -6.979 -6.594 4.677 103 HB ILE 15 HB ILE 15 -4.044 -6.501 3.968 104 HG12 ILE 15 1HG1 ILE 15 -5.685 -5.131 6.111 105 HG13 ILE 15 2HG1 ILE 15 -4.481 -6.392 6.363 106 HG21 ILE 15 1HG2 ILE 15 -5.321 -5.182 2.369 107 HG22 ILE 15 2HG2 ILE 15 -4.419 -4.125 3.455 108 HG23 ILE 15 3HG2 ILE 15 -6.152 -4.356 3.687 109 HD11 ILE 15 3HD1 ILE 15 -3.948 -3.624 5.322 110 HD12 ILE 15 1HD1 ILE 15 -2.741 -4.882 5.582 111 HD13 ILE 15 2HD1 ILE 15 -3.620 -4.209 6.954 112 H GLU 16 H GLU 16 -8.220 -6.627 2.972 113 HA GLU 16 HA GLU 16 -7.378 -8.074 0.585 114 HB2 GLU 16 1HB GLU 16 -9.678 -8.389 1.552 115 HB3 GLU 16 2HB GLU 16 -10.028 -6.718 1.127 116 HG2 GLU 16 1HG GLU 16 -10.916 -8.276 -0.523 117 HG3 GLU 16 2HG GLU 16 -9.690 -7.219 -1.222 118 H THR 17 H THR 17 -6.598 -7.077 -1.139 119 HA THR 17 HA THR 17 -6.719 -4.149 -1.215 120 HB THR 17 HB THR 17 -4.855 -4.418 -2.929 121 HG1 THR 17 HG1 THR 17 -4.545 -7.008 -1.793 122 HG21 THR 17 3HG2 THR 17 -4.330 -5.419 -0.125 123 HG22 THR 17 1HG2 THR 17 -4.427 -3.726 -0.613 124 HG23 THR 17 2HG2 THR 17 -3.128 -4.749 -1.228 125 H MET 18 H MET 18 -7.983 -3.197 -2.663 126 HA MET 18 HA MET 18 -9.591 -4.588 -4.482 127 HB2 MET 18 1HB MET 18 -8.781 -1.673 -4.482 128 HB3 MET 18 2HB MET 18 -10.054 -2.352 -5.488 129 HG2 MET 18 1HG MET 18 -10.003 -2.232 -2.483 130 HG3 MET 18 2HG MET 18 -11.016 -1.282 -3.567 131 HE1 MET 18 3HE MET 18 -13.176 -1.983 -2.189 132 HE2 MET 18 1HE MET 18 -12.164 -2.919 -1.090 133 HE3 MET 18 2HE MET 18 -13.597 -3.653 -1.815 134 HA PRO 19 HA PRO 19 -7.173 -5.795 -7.896 135 HB2 PRO 19 1HB PRO 19 -8.822 -4.688 -9.918 136 HB3 PRO 19 2HB PRO 19 -8.864 -6.333 -9.288 137 HG2 PRO 19 1HG PRO 19 -10.561 -4.000 -8.604 138 HG3 PRO 19 2HG PRO 19 -10.962 -5.726 -8.601 139 HD2 PRO 19 1HD PRO 19 -10.580 -4.377 -6.322 140 HD3 PRO 19 2HD PRO 19 -10.046 -6.063 -6.499 141 H VAL 20 H VAL 20 -5.308 -4.817 -8.272 142 HA VAL 20 HA VAL 20 -5.134 -1.991 -8.798 143 HB VAL 20 HB VAL 20 -2.701 -2.377 -8.992 144 HG11 VAL 20 1HG1 VAL 20 -2.320 -3.094 -6.677 145 HG12 VAL 20 2HG1 VAL 20 -3.978 -3.690 -6.595 146 HG13 VAL 20 3HG1 VAL 20 -3.669 -1.966 -6.805 147 HG21 VAL 20 3HG2 VAL 20 -1.767 -4.596 -8.534 148 HG22 VAL 20 1HG2 VAL 20 -2.733 -4.593 -10.010 149 HG23 VAL 20 2HG2 VAL 20 -3.393 -5.278 -8.527 150 HA PRO 21 HA PRO 21 -5.484 -2.142 -13.186 151 HB2 PRO 21 1HB PRO 21 -3.531 0.066 -13.283 152 HB3 PRO 21 2HB PRO 21 -5.215 0.031 -13.809 153 HG2 PRO 21 1HG PRO 21 -4.462 1.379 -11.620 154 HG3 PRO 21 2HG PRO 21 -6.024 0.541 -11.706 155 HD2 PRO 21 1HD PRO 21 -3.488 -0.307 -10.357 156 HD3 PRO 21 2HD PRO 21 -5.165 -0.444 -9.789 157 H LYS 22 H LYS 22 -4.483 -3.093 -14.855 158 HA LYS 22 HA LYS 22 -1.776 -4.072 -14.407 159 HB2 LYS 22 1HB LYS 22 -3.989 -4.852 -16.286 160 HB3 LYS 22 2HB LYS 22 -2.341 -5.389 -16.575 161 HG2 LYS 22 1HG LYS 22 -3.550 -7.111 -15.410 162 HG3 LYS 22 2HG LYS 22 -2.317 -6.443 -14.344 163 HD2 LYS 22 1HD LYS 22 -4.097 -4.993 -13.340 164 HD3 LYS 22 2HD LYS 22 -5.279 -5.887 -14.293 165 HE2 LYS 22 1HE LYS 22 -3.380 -7.160 -12.327 166 HE3 LYS 22 2HE LYS 22 -5.024 -6.669 -11.930 167 HZ1 LYS 22 3HZ LYS 22 -5.893 -8.227 -13.486 168 HZ2 LYS 22 1HZ LYS 22 -4.776 -9.052 -12.508 169 HZ3 LYS 22 2HZ LYS 22 -4.352 -8.599 -14.087 170 H LYS 23 H LYS 23 -3.423 -1.676 -16.197 171 HA LYS 23 HA LYS 23 -0.915 -1.153 -17.652 172 HB2 LYS 23 1HB LYS 23 -3.747 -0.508 -18.484 173 HB3 LYS 23 2HB LYS 23 -2.319 0.116 -19.298 174 HG2 LYS 23 1HG LYS 23 -3.120 -2.775 -19.049 175 HG3 LYS 23 2HG LYS 23 -3.194 -1.779 -20.504 176 HD2 LYS 23 1HD LYS 23 -0.754 -1.521 -20.444 177 HD3 LYS 23 2HD LYS 23 -0.686 -2.531 -18.999 178 HE2 LYS 23 1HE LYS 23 -1.645 -3.375 -21.730 179 HE3 LYS 23 2HE LYS 23 -0.113 -3.818 -20.983 180 HZ1 LYS 23 3HZ LYS 23 -1.435 -4.902 -19.197 181 HZ2 LYS 23 1HZ LYS 23 -1.617 -5.621 -20.720 182 HZ3 LYS 23 2HZ LYS 23 -2.832 -4.614 -20.107 183 H LEU 24 H LEU 24 0.156 0.485 -16.835 184 HA LEU 24 HA LEU 24 -1.349 2.695 -15.602 185 HB2 LEU 24 1HB LEU 24 1.256 1.460 -14.714 186 HB3 LEU 24 2HB LEU 24 0.618 2.963 -14.073 187 HG LEU 24 HG LEU 24 -0.815 0.312 -13.893 188 HD11 LEU 24 1HD1 LEU 24 1.259 0.245 -12.607 189 HD12 LEU 24 2HD1 LEU 24 -0.145 0.303 -11.545 190 HD13 LEU 24 3HD1 LEU 24 0.819 1.754 -11.810 191 HD21 LEU 24 3HD2 LEU 24 -2.181 1.480 -12.226 192 HD22 LEU 24 1HD2 LEU 24 -2.295 2.239 -13.815 193 HD23 LEU 24 2HD2 LEU 24 -1.300 2.973 -12.556 194 H LYS 25 H LYS 25 -0.572 4.770 -15.935 195 HA LYS 25 HA LYS 25 1.482 5.006 -18.034 196 HB2 LYS 25 1HB LYS 25 -0.778 6.955 -17.538 197 HB3 LYS 25 2HB LYS 25 0.349 6.958 -18.884 198 HG2 LYS 25 1HG LYS 25 -1.460 6.050 -19.908 199 HG3 LYS 25 2HG LYS 25 -0.704 4.572 -19.310 200 HD2 LYS 25 1HD LYS 25 -2.167 4.639 -17.336 201 HD3 LYS 25 2HD LYS 25 -2.937 6.098 -17.965 202 HE2 LYS 25 1HE LYS 25 -3.562 4.774 -20.001 203 HE3 LYS 25 2HE LYS 25 -2.968 3.336 -19.171 204 HZ1 LYS 25 3HZ LYS 25 -4.583 3.929 -17.344 205 HZ2 LYS 25 1HZ LYS 25 -5.274 3.407 -18.805 206 HZ3 LYS 25 2HZ LYS 25 -5.261 5.056 -18.421 207 H VAL 26 H VAL 26 2.561 7.219 -18.008 208 HA VAL 26 HA VAL 26 3.609 7.712 -15.395 209 HB VAL 26 HB VAL 26 3.957 9.400 -17.883 210 HG11 VAL 26 1HG1 VAL 26 5.606 9.220 -15.363 211 HG12 VAL 26 2HG1 VAL 26 4.560 10.563 -15.825 212 HG13 VAL 26 3HG1 VAL 26 5.993 10.191 -16.783 213 HG21 VAL 26 3HG2 VAL 26 4.651 7.091 -18.279 214 HG22 VAL 26 1HG2 VAL 26 5.667 7.144 -16.839 215 HG23 VAL 26 2HG2 VAL 26 6.045 8.170 -18.222 216 H GLY 27 H GLY 27 2.640 8.843 -13.873 217 HA2 GLY 27 1HA GLY 27 1.695 10.845 -13.006 218 HA3 GLY 27 2HA GLY 27 1.095 11.230 -14.615 219 H GLU 28 H GLU 28 0.486 8.051 -14.222 220 HA GLU 28 HA GLU 28 -2.302 8.548 -13.632 221 HB2 GLU 28 1HB GLU 28 -1.619 6.972 -15.428 222 HB3 GLU 28 2HB GLU 28 -0.901 5.930 -14.208 223 HG2 GLU 28 1HG GLU 28 -3.134 5.198 -14.980 224 HG3 GLU 28 2HG GLU 28 -3.035 5.477 -13.242 225 H THR 29 H THR 29 -3.450 7.646 -11.908 226 HA THR 29 HA THR 29 -1.733 6.993 -9.601 227 HB THR 29 HB THR 29 -4.416 8.372 -9.438 228 HG1 THR 29 HG1 THR 29 -2.664 9.553 -10.606 229 HG21 THR 29 3HG2 THR 29 -2.117 8.138 -7.491 230 HG22 THR 29 1HG2 THR 29 -3.642 7.260 -7.396 231 HG23 THR 29 2HG2 THR 29 -3.621 9.015 -7.208 232 H ALA 30 H ALA 30 -1.960 4.936 -9.073 233 HA ALA 30 HA ALA 30 -4.479 3.556 -9.580 234 HB1 ALA 30 3HB ALA 30 -1.842 2.505 -8.544 235 HB2 ALA 30 1HB ALA 30 -2.405 2.425 -10.213 236 HB3 ALA 30 2HB ALA 30 -3.248 1.527 -8.951 237 H GLU 31 H GLU 31 -5.967 4.093 -8.062 238 HA GLU 31 HA GLU 31 -5.262 4.404 -5.297 239 HB2 GLU 31 1HB GLU 31 -7.167 5.632 -6.257 240 HB3 GLU 31 2HB GLU 31 -7.987 4.112 -6.579 241 HG2 GLU 31 1HG GLU 31 -8.085 3.652 -4.184 242 HG3 GLU 31 2HG GLU 31 -7.252 5.170 -3.857 243 H ILE 32 H ILE 32 -4.417 2.619 -4.438 244 HA ILE 32 HA ILE 32 -5.774 0.057 -4.747 245 HB ILE 32 HB ILE 32 -3.329 0.673 -3.075 246 HG12 ILE 32 1HG1 ILE 32 -3.423 -0.383 -5.910 247 HG13 ILE 32 2HG1 ILE 32 -2.993 1.266 -5.471 248 HG21 ILE 32 1HG2 ILE 32 -2.905 -1.739 -3.284 249 HG22 ILE 32 2HG2 ILE 32 -4.417 -1.917 -4.174 250 HG23 ILE 32 3HG2 ILE 32 -4.444 -1.403 -2.487 251 HD11 ILE 32 3HD1 ILE 32 -1.025 -0.089 -5.926 252 HD12 ILE 32 1HD1 ILE 32 -1.495 -1.214 -4.652 253 HD13 ILE 32 2HD1 ILE 32 -1.058 0.446 -4.245 254 H ARG 33 H ARG 33 -7.638 0.144 -3.576 255 HA ARG 33 HA ARG 33 -7.638 1.319 -0.939 256 HB2 ARG 33 1HB ARG 33 -9.573 1.436 -2.597 257 HB3 ARG 33 2HB ARG 33 -9.872 -0.253 -2.218 258 HG2 ARG 33 1HG ARG 33 -10.268 0.315 0.108 259 HG3 ARG 33 2HG ARG 33 -9.898 2.008 -0.231 260 HD2 ARG 33 1HD ARG 33 -11.772 1.963 -1.909 261 HD3 ARG 33 2HD ARG 33 -12.207 0.379 -1.275 262 HE ARG 33 HE ARG 33 -12.389 1.643 0.946 263 HH11 ARG 33 1HH1 ARG 33 -13.013 3.097 -2.179 264 HH12 ARG 33 2HH1 ARG 33 -14.259 4.150 -1.579 265 HH21 ARG 33 1HH2 ARG 33 -13.997 3.068 1.748 266 HH22 ARG 33 2HH2 ARG 33 -14.815 4.144 0.650 267 H CYS 34 H CYS 34 -6.925 0.251 0.730 268 HA CYS 34 HA CYS 34 -6.952 -2.688 0.659 269 HB2 CYS 34 1HB CYS 34 -5.248 -0.868 2.376 270 HB3 CYS 34 2HB CYS 34 -5.076 -2.610 2.187 271 HG CYS 34 HG CYS 34 -4.487 -0.273 -0.245 272 H GLN 35 H GLN 35 -8.233 -3.723 2.067 273 HA GLN 35 HA GLN 35 -9.237 -2.174 4.359 274 HB2 GLN 35 1HB GLN 35 -10.926 -2.446 2.553 275 HB3 GLN 35 2HB GLN 35 -10.809 -4.189 2.754 276 HG2 GLN 35 1HG GLN 35 -11.707 -4.074 4.951 277 HG3 GLN 35 2HG GLN 35 -11.602 -2.313 4.960 278 HE21 GLN 35 2HE2 GLN 35 -13.066 -1.109 3.738 279 HE22 GLN 35 1HE2 GLN 35 -14.553 -1.789 3.168 280 H LEU 36 H LEU 36 -8.390 -2.983 6.114 281 HA LEU 36 HA LEU 36 -7.685 -5.770 6.359 282 HB2 LEU 36 1HB LEU 36 -6.380 -3.857 7.358 283 HB3 LEU 36 2HB LEU 36 -7.699 -3.618 8.484 284 HG LEU 36 HG LEU 36 -6.307 -6.274 8.339 285 HD11 LEU 36 1HD1 LEU 36 -5.417 -3.884 9.947 286 HD12 LEU 36 2HD1 LEU 36 -4.548 -4.601 8.590 287 HD13 LEU 36 3HD1 LEU 36 -4.773 -5.519 10.078 288 HD21 LEU 36 3HD2 LEU 36 -6.974 -6.370 10.696 289 HD22 LEU 36 1HD2 LEU 36 -8.364 -6.139 9.634 290 HD23 LEU 36 2HD2 LEU 36 -7.714 -4.776 10.547 291 H HIS 37 H HIS 37 -9.052 -7.290 6.947 292 HA HIS 37 HA HIS 37 -11.636 -6.520 8.062 293 HB2 HIS 37 1HB HIS 37 -10.587 -9.083 6.873 294 HB3 HIS 37 2HB HIS 37 -12.130 -9.012 7.717 295 HD1 HIS 37 HD1 HIS 37 -10.774 -8.787 4.422 296 HD2 HIS 37 HD2 HIS 37 -13.859 -6.885 6.471 297 HE1 HIS 37 HE1 HIS 37 -12.274 -7.817 2.651 298 HE2 HIS 37 HE2 HIS 37 -14.240 -6.874 3.914 299 H ARG 38 H ARG 38 -11.459 -6.142 10.184 300 HA ARG 38 HA ARG 38 -10.319 -8.299 11.826 301 HB2 ARG 38 1HB ARG 38 -9.959 -6.552 13.590 302 HB3 ARG 38 2HB ARG 38 -8.971 -6.343 12.150 303 HG2 ARG 38 1HG ARG 38 -10.284 -4.532 11.394 304 HG3 ARG 38 2HG ARG 38 -11.555 -4.865 12.571 305 HD2 ARG 38 1HD ARG 38 -10.071 -4.237 14.386 306 HD3 ARG 38 2HD ARG 38 -8.748 -3.991 13.247 307 HE ARG 38 HE ARG 38 -10.223 -2.200 12.265 308 HH11 ARG 38 1HH1 ARG 38 -10.419 -3.085 15.643 309 HH12 ARG 38 2HH1 ARG 38 -11.045 -1.544 16.144 310 HH21 ARG 38 1HH2 ARG 38 -10.994 -0.152 12.938 311 HH22 ARG 38 2HH2 ARG 38 -11.313 0.138 14.624 312 H ASP 39 H ASP 39 -12.057 -9.500 12.368 313 HA ASP 39 HA ASP 39 -14.518 -8.321 13.259 314 HB2 ASP 39 1HB ASP 39 -14.334 -10.655 12.329 315 HB3 ASP 39 2HB ASP 39 -13.495 -11.110 13.812 316 H GLY 40 H GLY 40 -11.721 -9.833 14.781 317 HA2 GLY 40 1HA GLY 40 -12.422 -9.433 17.462 318 HA3 GLY 40 2HA GLY 40 -10.777 -9.559 16.849 319 H ARG 41 H ARG 41 -12.903 -7.590 18.405 320 HA ARG 41 HA ARG 41 -12.209 -5.101 17.203 321 HB2 ARG 41 1HB ARG 41 -13.700 -5.815 19.706 322 HB3 ARG 41 2HB ARG 41 -13.328 -4.145 19.291 323 HG2 ARG 41 1HG ARG 41 -14.895 -6.081 17.612 324 HG3 ARG 41 2HG ARG 41 -15.553 -4.737 18.549 325 HD2 ARG 41 1HD ARG 41 -14.194 -3.181 17.182 326 HD3 ARG 41 2HD ARG 41 -13.661 -4.549 16.206 327 HE ARG 41 HE ARG 41 -16.519 -3.894 16.435 328 HH11 ARG 41 1HH1 ARG 41 -13.644 -4.327 14.475 329 HH12 ARG 41 2HH1 ARG 41 -14.498 -4.228 12.965 330 HH21 ARG 41 1HH2 ARG 41 -17.642 -3.796 14.460 331 HH22 ARG 41 2HH2 ARG 41 -16.772 -3.911 12.962 332 H PHE 42 H PHE 42 -10.011 -5.098 17.210 333 HA PHE 42 HA PHE 42 -8.845 -4.192 19.759 334 HB2 PHE 42 1HB PHE 42 -7.432 -5.208 17.273 335 HB3 PHE 42 2HB PHE 42 -6.636 -4.641 18.739 336 HD1 PHE 42 HD1 PHE 42 -7.033 -5.911 20.885 337 HD2 PHE 42 HD2 PHE 42 -8.123 -7.428 17.063 338 HE1 PHE 42 HE1 PHE 42 -7.124 -8.185 21.819 339 HE2 PHE 42 HE2 PHE 42 -8.218 -9.706 17.987 340 HZ PHE 42 HZ PHE 42 -7.719 -10.087 20.370 341 H GLU 43 H GLU 43 -9.233 -2.054 19.796 342 HA GLU 43 HA GLU 43 -9.401 -0.597 17.271 343 HB2 GLU 43 1HB GLU 43 -11.072 -0.568 19.315 344 HB3 GLU 43 2HB GLU 43 -9.958 0.643 19.937 345 HG2 GLU 43 1HG GLU 43 -11.809 1.683 18.777 346 HG3 GLU 43 2HG GLU 43 -10.292 1.984 17.926 347 H GLU 44 H GLU 44 -7.347 -0.882 20.033 348 HA GLU 44 HA GLU 44 -6.011 1.646 19.450 349 HB2 GLU 44 1HB GLU 44 -4.792 1.262 21.530 350 HB3 GLU 44 2HB GLU 44 -6.527 1.131 21.785 351 HG2 GLU 44 1HG GLU 44 -6.330 -1.323 21.686 352 HG3 GLU 44 2HG GLU 44 -4.582 -1.149 21.525 353 H THR 45 H THR 45 -5.776 -1.557 18.548 354 HA THR 45 HA THR 45 -2.953 -1.882 18.527 355 HB THR 45 HB THR 45 -5.100 -3.307 16.947 356 HG1 THR 45 HG1 THR 45 -3.873 -3.690 19.476 357 HG21 THR 45 3HG2 THR 45 -2.229 -4.106 17.453 358 HG22 THR 45 1HG2 THR 45 -2.876 -3.542 15.913 359 HG23 THR 45 2HG2 THR 45 -3.443 -5.062 16.602 360 H LYS 46 H LYS 46 -1.646 -0.680 17.370 361 HA LYS 46 HA LYS 46 -2.621 0.799 15.084 362 HB2 LYS 46 1HB LYS 46 0.136 0.756 16.327 363 HB3 LYS 46 2HB LYS 46 -0.468 1.937 15.173 364 HG2 LYS 46 1HG LYS 46 -1.590 1.499 17.931 365 HG3 LYS 46 2HG LYS 46 -0.447 2.768 17.487 366 HD2 LYS 46 1HD LYS 46 -2.026 3.825 16.077 367 HD3 LYS 46 2HD LYS 46 -3.106 2.430 16.121 368 HE2 LYS 46 1HE LYS 46 -3.915 4.283 17.521 369 HE3 LYS 46 2HE LYS 46 -3.583 2.826 18.457 370 HZ1 LYS 46 3HZ LYS 46 -1.571 3.761 19.262 371 HZ2 LYS 46 1HZ LYS 46 -2.784 4.922 19.485 372 HZ3 LYS 46 2HZ LYS 46 -1.673 5.087 18.210 373 H TYR 47 H TYR 47 -2.229 0.364 13.012 374 HA TYR 47 HA TYR 47 -0.541 -1.949 12.382 375 HB2 TYR 47 1HB TYR 47 -2.519 -0.538 10.573 376 HB3 TYR 47 2HB TYR 47 -1.751 -2.098 10.295 377 HD1 TYR 47 HD1 TYR 47 -2.202 -3.875 12.240 378 HD2 TYR 47 HD2 TYR 47 -4.689 -0.537 11.359 379 HE1 TYR 47 HE1 TYR 47 -4.095 -5.003 13.333 380 HE2 TYR 47 HE2 TYR 47 -6.586 -1.655 12.450 381 HH TYR 47 HH TYR 47 -6.239 -4.361 14.422 382 H PHE 48 H PHE 48 1.256 -1.736 11.159 383 HA PHE 48 HA PHE 48 1.973 1.003 10.313 384 HB2 PHE 48 1HB PHE 48 3.810 -1.226 11.212 385 HB3 PHE 48 2HB PHE 48 4.299 0.401 10.757 386 HD1 PHE 48 HD2 PHE 48 3.524 2.336 12.177 387 HD2 PHE 48 HD1 PHE 48 3.138 -1.722 13.394 388 HE1 PHE 48 HE2 PHE 48 3.259 3.063 14.509 389 HE2 PHE 48 HE1 PHE 48 2.871 -1.000 15.730 390 HZ PHE 48 HZ PHE 48 2.934 1.396 16.291 391 H ILE 49 H ILE 49 2.513 1.296 8.220 392 HA ILE 49 HA ILE 49 2.686 -1.121 6.553 393 HB ILE 49 HB ILE 49 0.863 0.319 5.881 394 HG12 ILE 49 1HG1 ILE 49 3.198 0.515 3.963 395 HG13 ILE 49 2HG1 ILE 49 2.065 -0.826 4.086 396 HG21 ILE 49 1HG2 ILE 49 1.229 2.618 5.105 397 HG22 ILE 49 2HG2 ILE 49 2.919 2.507 5.598 398 HG23 ILE 49 3HG2 ILE 49 1.642 2.422 6.809 399 HD11 ILE 49 3HD1 ILE 49 1.587 0.606 2.172 400 HD12 ILE 49 1HD1 ILE 49 1.369 1.981 3.256 401 HD13 ILE 49 2HD1 ILE 49 0.260 0.611 3.335 402 H ARG 50 H ARG 50 4.529 -1.640 5.639 403 HA ARG 50 HA ARG 50 6.533 0.462 5.155 404 HB2 ARG 50 1HB ARG 50 7.310 -1.002 6.962 405 HB3 ARG 50 2HB ARG 50 7.049 -2.416 5.953 406 HG2 ARG 50 1HG ARG 50 8.808 -1.775 4.473 407 HG3 ARG 50 2HG ARG 50 8.972 -0.210 5.267 408 HD2 ARG 50 1HD ARG 50 9.412 -2.826 6.685 409 HD3 ARG 50 2HD ARG 50 10.703 -1.952 5.861 410 HE ARG 50 HE ARG 50 9.933 -0.043 7.440 411 HH11 ARG 50 1HH1 ARG 50 9.988 -3.454 8.240 412 HH12 ARG 50 2HH1 ARG 50 10.365 -3.176 9.919 413 HH21 ARG 50 1HH2 ARG 50 10.405 0.321 9.658 414 HH22 ARG 50 2HH2 ARG 50 10.535 -1.047 10.732 415 H TYR 51 H TYR 51 7.843 0.115 3.239 416 HA TYR 51 HA TYR 51 6.669 -1.665 1.256 417 HB2 TYR 51 1HB TYR 51 6.652 0.559 -0.244 418 HB3 TYR 51 2HB TYR 51 5.253 0.051 0.702 419 HD1 TYR 51 HD1 TYR 51 8.084 2.405 0.559 420 HD2 TYR 51 HD2 TYR 51 4.540 1.292 2.632 421 HE1 TYR 51 HE1 TYR 51 8.165 4.508 1.824 422 HE2 TYR 51 HE2 TYR 51 4.613 3.397 3.898 423 HH TYR 51 HH TYR 51 6.376 5.058 4.586 424 H PHE 52 H PHE 52 8.195 -2.522 0.055 425 HA PHE 52 HA PHE 52 10.772 -1.105 -0.178 426 HB2 PHE 52 1HB PHE 52 10.864 -3.209 1.135 427 HB3 PHE 52 2HB PHE 52 10.231 -4.085 -0.254 428 HD1 PHE 52 HD1 PHE 52 13.029 -1.756 0.577 429 HD2 PHE 52 HD2 PHE 52 11.741 -5.202 -1.564 430 HE1 PHE 52 HE1 PHE 52 15.328 -2.120 -0.216 431 HE2 PHE 52 HE2 PHE 52 14.037 -5.567 -2.364 432 HZ PHE 52 HZ PHE 52 15.835 -4.026 -1.691 433 H GLN 53 H GLN 53 11.138 -0.339 -2.161 434 HA GLN 53 HA GLN 53 9.973 -1.792 -4.445 435 HB2 GLN 53 1HB GLN 53 8.873 0.382 -4.100 436 HB3 GLN 53 2HB GLN 53 10.433 1.188 -4.199 437 HG2 GLN 53 1HG GLN 53 10.674 0.443 -6.510 438 HG3 GLN 53 2HG GLN 53 9.115 -0.374 -6.411 439 HE21 GLN 53 2HE2 GLN 53 7.238 0.840 -6.384 440 HE22 GLN 53 1HE2 GLN 53 7.204 2.503 -6.844 441 HA PRO 54 HA PRO 54 14.462 -1.833 -5.252 442 HB2 PRO 54 1HB PRO 54 14.622 -4.376 -6.068 443 HB3 PRO 54 2HB PRO 54 14.534 -3.966 -4.352 444 HG2 PRO 54 1HG PRO 54 12.398 -4.987 -6.168 445 HG3 PRO 54 2HG PRO 54 12.714 -5.384 -4.471 446 HD2 PRO 54 1HD PRO 54 10.795 -3.586 -5.364 447 HD3 PRO 54 2HD PRO 54 11.464 -3.635 -3.722 448 H ASP 55 H ASP 55 11.645 -2.263 -7.107 449 HA ASP 55 HA ASP 55 13.088 -1.779 -9.596 450 HB2 ASP 55 1HB ASP 55 12.925 -4.144 -9.702 451 HB3 ASP 55 2HB ASP 55 11.289 -4.136 -9.055 452 H GLY 56 H GLY 56 12.026 -0.417 -10.928 453 HA2 GLY 56 1HA GLY 56 10.096 0.551 -11.909 454 HA3 GLY 56 2HA GLY 56 9.160 0.032 -10.514 455 H ALA 57 H ALA 57 8.610 2.470 -11.119 456 HA ALA 57 HA ALA 57 9.853 4.043 -9.015 457 HB1 ALA 57 3HB ALA 57 11.198 4.565 -11.007 458 HB2 ALA 57 1HB ALA 57 10.282 5.964 -10.444 459 HB3 ALA 57 2HB ALA 57 9.735 5.060 -11.857 460 H GLY 58 H GLY 58 8.161 4.670 -7.846 461 HA2 GLY 58 1HA GLY 58 6.023 6.159 -9.061 462 HA3 GLY 58 2HA GLY 58 5.513 4.579 -8.486 463 H THR 59 H THR 59 5.156 7.545 -7.655 464 HA THR 59 HA THR 59 6.102 7.469 -4.913 465 HB THR 59 HB THR 59 4.353 9.541 -6.254 466 HG1 THR 59 HG1 THR 59 6.346 9.401 -7.329 467 HG21 THR 59 3HG2 THR 59 6.073 9.686 -3.775 468 HG22 THR 59 1HG2 THR 59 4.311 9.618 -3.804 469 HG23 THR 59 2HG2 THR 59 5.153 11.017 -4.473 470 H LEU 60 H LEU 60 4.993 6.300 -3.496 471 HA LEU 60 HA LEU 60 2.138 5.856 -3.850 472 HB2 LEU 60 1HB LEU 60 3.614 3.971 -3.270 473 HB3 LEU 60 2HB LEU 60 4.070 4.785 -1.787 474 HG LEU 60 HG LEU 60 1.738 4.605 -0.989 475 HD11 LEU 60 1HD1 LEU 60 0.168 3.154 -2.178 476 HD12 LEU 60 2HD1 LEU 60 1.318 2.995 -3.503 477 HD13 LEU 60 3HD1 LEU 60 0.602 4.565 -3.142 478 HD21 LEU 60 3HD2 LEU 60 1.775 2.192 -0.572 479 HD22 LEU 60 1HD2 LEU 60 3.377 2.907 -0.378 480 HD23 LEU 60 2HD2 LEU 60 2.990 1.995 -1.835 481 H LYS 61 H LYS 61 0.590 6.838 -2.669 482 HA LYS 61 HA LYS 61 1.464 8.451 -0.362 483 HB2 LYS 61 1HB LYS 61 -0.703 9.068 -2.371 484 HB3 LYS 61 2HB LYS 61 -0.450 9.969 -0.888 485 HG2 LYS 61 1HG LYS 61 1.767 10.630 -1.670 486 HG3 LYS 61 2HG LYS 61 1.505 9.724 -3.165 487 HD2 LYS 61 1HD LYS 61 -0.404 11.137 -3.703 488 HD3 LYS 61 2HD LYS 61 -0.194 12.016 -2.188 489 HE2 LYS 61 1HE LYS 61 2.034 12.736 -2.946 490 HE3 LYS 61 2HE LYS 61 1.761 11.905 -4.478 491 HZ1 LYS 61 3HZ LYS 61 1.281 14.299 -4.586 492 HZ2 LYS 61 1HZ LYS 61 0.056 14.098 -3.428 493 HZ3 LYS 61 2HZ LYS 61 -0.076 13.350 -4.944 494 H MET 62 H MET 62 0.027 8.616 1.374 495 HA MET 62 HA MET 62 -1.849 6.409 1.653 496 HB2 MET 62 1HB MET 62 -0.259 7.068 3.489 497 HB3 MET 62 2HB MET 62 -1.135 8.584 3.638 498 HG2 MET 62 1HG MET 62 -3.174 7.302 4.185 499 HG3 MET 62 2HG MET 62 -2.218 5.824 4.145 500 HE1 MET 62 3HE MET 62 0.543 6.816 5.432 501 HE2 MET 62 1HE MET 62 -0.241 5.292 5.850 502 HE3 MET 62 2HE MET 62 0.271 6.398 7.124 503 H SER 63 H SER 63 -4.067 6.843 2.409 504 HA SER 63 HA SER 63 -5.474 8.560 0.751 505 HB2 SER 63 1HB SER 63 -7.350 8.114 2.486 506 HB3 SER 63 2HB SER 63 -6.659 6.746 1.612 507 HG SER 63 HG SER 63 -6.767 7.120 4.231 508 H ASP 64 H ASP 64 -3.921 9.299 3.744 509 HA ASP 64 HA ASP 64 -5.484 11.637 4.338 510 HB2 ASP 64 1HB ASP 64 -4.371 10.507 6.160 511 HB3 ASP 64 2HB ASP 64 -2.806 10.686 5.374 512 H GLY 65 H GLY 65 -2.888 10.904 2.234 513 HA2 GLY 65 1HA GLY 65 -2.236 12.571 0.577 514 HA3 GLY 65 2HA GLY 65 -2.349 13.785 1.846 515 H THR 66 H THR 66 -1.116 11.360 3.460 516 HA THR 66 HA THR 66 1.487 12.334 3.673 517 HB THR 66 HB THR 66 0.747 9.478 4.263 518 HG1 THR 66 HG1 THR 66 0.253 11.364 6.238 519 HG21 THR 66 3HG2 THR 66 2.190 9.847 6.221 520 HG22 THR 66 1HG2 THR 66 2.479 11.503 5.689 521 HG23 THR 66 2HG2 THR 66 3.052 10.152 4.712 522 H VAL 67 H VAL 67 3.098 12.222 2.245 523 HA VAL 67 HA VAL 67 3.045 10.322 0.072 524 HB VAL 67 HB VAL 67 5.100 12.413 0.821 525 HG11 VAL 67 1HG1 VAL 67 4.930 10.693 -1.654 526 HG12 VAL 67 2HG1 VAL 67 6.169 10.597 -0.401 527 HG13 VAL 67 3HG1 VAL 67 6.047 12.036 -1.413 528 HG21 VAL 67 3HG2 VAL 67 2.991 13.370 0.125 529 HG22 VAL 67 1HG2 VAL 67 2.961 12.339 -1.308 530 HG23 VAL 67 2HG2 VAL 67 4.190 13.595 -1.148 531 H LEU 68 H LEU 68 4.014 8.419 0.021 532 HA LEU 68 HA LEU 68 5.520 7.615 2.393 533 HB2 LEU 68 1HB LEU 68 4.265 5.918 0.234 534 HB3 LEU 68 2HB LEU 68 4.952 5.340 1.742 535 HG LEU 68 HG LEU 68 2.498 7.089 1.494 536 HD11 LEU 68 1HD1 LEU 68 2.082 4.833 0.700 537 HD12 LEU 68 2HD1 LEU 68 1.276 5.108 2.245 538 HD13 LEU 68 3HD1 LEU 68 2.766 4.169 2.185 539 HD21 LEU 68 3HD2 LEU 68 3.736 5.785 3.915 540 HD22 LEU 68 1HD2 LEU 68 2.214 6.676 3.882 541 HD23 LEU 68 2HD2 LEU 68 3.733 7.512 3.555 542 H LEU 69 H LEU 69 7.642 7.581 2.251 543 HA LEU 69 HA LEU 69 8.908 7.167 -0.372 544 HB2 LEU 69 1HB LEU 69 10.000 8.505 2.106 545 HB3 LEU 69 2HB LEU 69 10.879 8.294 0.604 546 HG LEU 69 HG LEU 69 8.373 9.951 0.925 547 HD11 LEU 69 1HD1 LEU 69 10.262 10.953 2.073 548 HD12 LEU 69 2HD1 LEU 69 9.878 11.861 0.611 549 HD13 LEU 69 3HD1 LEU 69 11.260 10.766 0.632 550 HD21 LEU 69 3HD2 LEU 69 8.658 8.960 -1.315 551 HD22 LEU 69 1HD2 LEU 69 10.258 9.693 -1.416 552 HD23 LEU 69 2HD2 LEU 69 8.823 10.713 -1.326 553 HA PRO 70 HA PRO 70 10.071 3.179 1.082 554 HB2 PRO 70 1HB PRO 70 12.268 3.308 -0.882 555 HB3 PRO 70 2HB PRO 70 10.914 2.179 -0.778 556 HG2 PRO 70 1HG PRO 70 11.012 4.069 -2.678 557 HG3 PRO 70 2HG PRO 70 9.482 3.578 -1.927 558 HD2 PRO 70 1HD PRO 70 11.159 6.006 -1.405 559 HD3 PRO 70 2HD PRO 70 9.393 5.856 -1.519 560 H ASN 71 H ASN 71 10.835 3.958 3.127 561 HA ASN 71 HA ASN 71 13.586 3.279 3.549 562 HB2 ASN 71 1HB ASN 71 13.966 5.598 2.972 563 HB3 ASN 71 2HB ASN 71 12.685 6.124 4.059 564 HD21 ASN 71 2HD2 ASN 71 13.088 6.272 6.237 565 HD22 ASN 71 1HD2 ASN 71 14.664 6.108 6.922 566 H ASP 72 H ASP 72 10.787 4.920 5.004 567 HA ASP 72 HA ASP 72 11.235 3.311 7.434 568 HB2 ASP 72 1HB ASP 72 11.333 5.998 7.355 569 HB3 ASP 72 2HB ASP 72 9.599 5.789 7.588 570 H LEU 73 H LEU 73 8.848 3.680 8.720 571 HA LEU 73 HA LEU 73 6.819 2.794 6.788 572 HB2 LEU 73 1HB LEU 73 6.219 0.912 7.972 573 HB3 LEU 73 2HB LEU 73 7.960 0.907 8.142 574 HG LEU 73 HG LEU 73 5.995 1.807 10.258 575 HD11 LEU 73 1HD1 LEU 73 6.691 -0.231 11.420 576 HD12 LEU 73 2HD1 LEU 73 7.676 -0.685 10.029 577 HD13 LEU 73 3HD1 LEU 73 5.922 -0.592 9.875 578 HD21 LEU 73 3HD2 LEU 73 8.143 2.986 10.399 579 HD22 LEU 73 1HD2 LEU 73 8.982 1.434 10.417 580 HD23 LEU 73 2HD2 LEU 73 7.907 1.873 11.746 581 H TYR 74 H TYR 74 4.661 3.272 7.365 582 HA TYR 74 HA TYR 74 4.471 5.376 9.421 583 HB2 TYR 74 1HB TYR 74 3.284 5.240 6.659 584 HB3 TYR 74 2HB TYR 74 2.584 6.271 7.902 585 HD1 TYR 74 HD2 TYR 74 3.766 8.236 8.698 586 HD2 TYR 74 HD1 TYR 74 5.444 5.757 5.680 587 HE1 TYR 74 HE2 TYR 74 5.380 10.008 8.152 588 HE2 TYR 74 HE1 TYR 74 7.065 7.520 5.123 589 HH TYR 74 HH TYR 74 7.685 10.141 7.099 590 HA PRO 75 HA PRO 75 1.090 3.106 11.136 591 HB2 PRO 75 1HB PRO 75 -0.203 5.063 12.450 592 HB3 PRO 75 2HB PRO 75 1.385 4.482 12.968 593 HG2 PRO 75 1HG PRO 75 0.682 6.927 11.386 594 HG3 PRO 75 2HG PRO 75 1.840 6.749 12.718 595 HD2 PRO 75 1HD PRO 75 2.562 6.780 10.089 596 HD3 PRO 75 2HD PRO 75 3.481 5.932 11.347 597 H LEU 76 H LEU 76 -0.897 2.480 10.537 598 HA LEU 76 HA LEU 76 -2.286 4.005 8.483 599 HB2 LEU 76 1HB LEU 76 -2.859 1.285 9.668 600 HB3 LEU 76 2HB LEU 76 -3.703 1.995 8.305 601 HG LEU 76 HG LEU 76 -0.758 1.330 8.326 602 HD11 LEU 76 1HD1 LEU 76 -3.089 -0.157 7.135 603 HD12 LEU 76 2HD1 LEU 76 -2.053 -0.701 8.455 604 HD13 LEU 76 3HD1 LEU 76 -1.391 -0.518 6.828 605 HD21 LEU 76 3HD2 LEU 76 -0.918 1.694 5.911 606 HD22 LEU 76 1HD2 LEU 76 -1.337 3.151 6.812 607 HD23 LEU 76 2HD2 LEU 76 -2.609 2.162 6.093 608 HA PRO 77 HA PRO 77 -4.905 5.711 11.662 609 HB2 PRO 77 1HB PRO 77 -6.373 7.314 10.083 610 HB3 PRO 77 2HB PRO 77 -4.679 7.660 10.448 611 HG2 PRO 77 1HG PRO 77 -5.870 6.418 8.000 612 HG3 PRO 77 2HG PRO 77 -4.598 7.647 8.124 613 HD2 PRO 77 1HD PRO 77 -4.104 4.988 7.710 614 HD3 PRO 77 2HD PRO 77 -2.962 6.089 8.505 615 H GLY 78 H GLY 78 -5.614 3.220 9.877 616 HA2 GLY 78 1HA GLY 78 -8.055 2.614 11.051 617 HA3 GLY 78 2HA GLY 78 -8.409 3.294 9.466 618 H GLU 79 H GLU 79 -9.308 0.953 9.461 619 HA GLU 79 HA GLU 79 -7.201 -0.914 8.655 620 HB2 GLU 79 1HB GLU 79 -9.513 -2.385 8.671 621 HB3 GLU 79 2HB GLU 79 -8.348 -2.294 9.983 622 HG2 GLU 79 1HG GLU 79 -10.521 -1.967 10.877 623 HG3 GLU 79 2HG GLU 79 -9.662 -0.433 10.953 624 H THR 80 H THR 80 -10.208 0.564 7.553 625 HA THR 80 HA THR 80 -9.616 -0.422 4.853 626 HB THR 80 HB THR 80 -11.897 -0.849 5.493 627 HG1 THR 80 HG1 THR 80 -12.336 1.373 3.853 628 HG21 THR 80 3HG2 THR 80 -12.141 0.859 7.240 629 HG22 THR 80 1HG2 THR 80 -13.479 0.904 6.091 630 HG23 THR 80 2HG2 THR 80 -12.198 2.113 5.999 631 H PHE 81 H PHE 81 -8.281 0.856 3.766 632 HA PHE 81 HA PHE 81 -8.683 3.756 3.861 633 HB2 PHE 81 1HB PHE 81 -6.234 4.108 4.159 634 HB3 PHE 81 2HB PHE 81 -7.004 3.368 5.557 635 HD1 PHE 81 HD1 PHE 81 -6.618 1.001 6.080 636 HD2 PHE 81 HD2 PHE 81 -4.587 2.933 2.875 637 HE1 PHE 81 HE1 PHE 81 -4.988 -0.839 6.008 638 HE2 PHE 81 HE2 PHE 81 -2.954 1.094 2.798 639 HZ PHE 81 HZ PHE 81 -3.155 -0.795 4.364 640 H ARG 82 H ARG 82 -7.117 4.841 2.253 641 HA ARG 82 HA ARG 82 -7.053 3.215 -0.206 642 HB2 ARG 82 1HB ARG 82 -7.094 6.226 -0.109 643 HB3 ARG 82 2HB ARG 82 -7.439 5.183 -1.477 644 HG2 ARG 82 1HG ARG 82 -9.530 4.510 -0.502 645 HG3 ARG 82 2HG ARG 82 -9.165 5.400 0.979 646 HD2 ARG 82 1HD ARG 82 -8.978 7.461 -0.498 647 HD3 ARG 82 2HD ARG 82 -9.722 6.493 -1.765 648 HE ARG 82 HE ARG 82 -11.730 6.451 -0.526 649 HH11 ARG 82 1HH1 ARG 82 -9.220 8.326 1.037 650 HH12 ARG 82 2HH1 ARG 82 -10.322 9.241 2.018 651 HH21 ARG 82 1HH2 ARG 82 -13.193 7.667 0.755 652 HH22 ARG 82 2HH2 ARG 82 -12.574 8.871 1.854 653 H LEU 83 H LEU 83 -5.146 3.026 -1.278 654 HA LEU 83 HA LEU 83 -2.927 4.771 -0.443 655 HB2 LEU 83 1HB LEU 83 -2.871 1.969 -1.565 656 HB3 LEU 83 2HB LEU 83 -1.445 2.970 -1.373 657 HG LEU 83 HG LEU 83 -3.228 2.006 0.865 658 HD11 LEU 83 1HD1 LEU 83 -0.447 1.184 0.045 659 HD12 LEU 83 2HD1 LEU 83 -1.911 0.218 -0.127 660 HD13 LEU 83 3HD1 LEU 83 -1.310 0.625 1.479 661 HD21 LEU 83 3HD2 LEU 83 -0.643 3.557 0.946 662 HD22 LEU 83 1HD2 LEU 83 -1.523 2.936 2.342 663 HD23 LEU 83 2HD2 LEU 83 -2.241 4.192 1.334 664 H TYR 84 H TYR 84 -2.336 6.221 -1.907 665 HA TYR 84 HA TYR 84 -3.338 5.901 -4.639 666 HB2 TYR 84 1HB TYR 84 -2.369 8.314 -3.108 667 HB3 TYR 84 2HB TYR 84 -2.712 8.351 -4.837 668 HD1 TYR 84 HD1 TYR 84 -5.009 7.997 -5.647 669 HD2 TYR 84 HD2 TYR 84 -4.151 8.299 -1.491 670 HE1 TYR 84 HE1 TYR 84 -7.390 8.377 -5.190 671 HE2 TYR 84 HE2 TYR 84 -6.536 8.683 -1.023 672 HH TYR 84 HH TYR 84 -8.952 8.068 -3.286 673 H TYR 85 H TYR 85 -1.912 4.697 -5.737 674 HA TYR 85 HA TYR 85 0.929 5.268 -5.467 675 HB2 TYR 85 1HB TYR 85 0.133 2.918 -5.461 676 HB3 TYR 85 2HB TYR 85 -0.456 3.137 -7.106 677 HD1 TYR 85 HD2 TYR 85 2.677 3.493 -5.105 678 HD2 TYR 85 HD1 TYR 85 0.928 2.528 -8.862 679 HE1 TYR 85 HE2 TYR 85 4.890 2.862 -5.967 680 HE2 TYR 85 HE1 TYR 85 3.138 1.898 -9.733 681 HH TYR 85 HH TYR 85 5.465 2.297 -9.303 682 H THR 86 H THR 86 1.511 7.034 -6.570 683 HA THR 86 HA THR 86 0.406 7.590 -9.189 684 HB THR 86 HB THR 86 2.614 9.018 -7.685 685 HG1 THR 86 HG1 THR 86 0.129 10.216 -7.924 686 HG21 THR 86 3HG2 THR 86 2.139 10.881 -9.196 687 HG22 THR 86 1HG2 THR 86 0.925 9.908 -10.029 688 HG23 THR 86 2HG2 THR 86 2.628 9.448 -10.103 689 H SER 87 H SER 87 1.138 6.484 -10.860 690 HA SER 87 HA SER 87 3.667 5.118 -10.745 691 HB2 SER 87 1HB SER 87 1.631 5.290 -12.977 692 HB3 SER 87 2HB SER 87 2.983 4.158 -12.895 693 HG SER 87 HG SER 87 1.334 4.200 -10.679 694 H ALA 88 H ALA 88 5.522 6.006 -11.292 695 HA ALA 88 HA ALA 88 5.566 8.133 -13.319 696 HB1 ALA 88 3HB ALA 88 7.728 7.229 -11.413 697 HB2 ALA 88 1HB ALA 88 6.697 8.643 -11.205 698 HB3 ALA 88 2HB ALA 88 7.846 8.579 -12.540 699 H SER 89 H SER 89 5.498 4.988 -13.290 700 HA SER 89 HA SER 89 7.359 4.663 -15.533 701 HB2 SER 89 1HB SER 89 8.304 3.672 -13.422 702 HB3 SER 89 2HB SER 89 6.899 2.612 -13.347 703 HG SER 89 HG SER 89 8.465 2.697 -15.687 704 H THR 90 H THR 90 6.591 3.327 -17.170 705 HA THR 90 HA THR 90 3.722 2.764 -17.063 706 HB THR 90 HB THR 90 4.041 2.311 -19.538 707 HG1 THR 90 HG1 THR 90 6.498 2.144 -19.062 708 HG21 THR 90 3HG2 THR 90 4.809 5.041 -18.507 709 HG22 THR 90 1HG2 THR 90 3.164 4.436 -18.711 710 HG23 THR 90 2HG2 THR 90 4.194 4.687 -20.121 711 H ASP 91 H ASP 91 6.700 1.191 -16.806 712 HA ASP 91 HA ASP 91 5.793 -1.336 -17.930 713 HB2 ASP 91 1HB ASP 91 8.473 -0.558 -16.753 714 HB3 ASP 91 2HB ASP 91 8.117 -2.057 -17.607 715 H GLN 92 H GLN 92 7.241 -3.105 -16.320 716 HA GLN 92 HA GLN 92 5.422 -3.525 -14.219 717 HB2 GLN 92 1HB GLN 92 8.088 -4.750 -14.867 718 HB3 GLN 92 2HB GLN 92 7.199 -5.200 -13.421 719 HG2 GLN 92 1HG GLN 92 5.246 -5.681 -15.018 720 HG3 GLN 92 2HG GLN 92 6.471 -5.649 -16.288 721 HE21 GLN 92 2HE2 GLN 92 5.292 -7.311 -13.476 722 HE22 GLN 92 1HE2 GLN 92 6.232 -8.750 -13.669 723 H GLN 93 H GLN 93 5.350 -2.839 -12.226 724 HA GLN 93 HA GLN 93 7.729 -1.544 -11.078 725 HB2 GLN 93 1HB GLN 93 4.813 -0.848 -10.648 726 HB3 GLN 93 2HB GLN 93 6.159 -0.108 -9.792 727 HG2 GLN 93 1HG GLN 93 6.988 0.877 -11.804 728 HG3 GLN 93 2HG GLN 93 5.819 -0.011 -12.780 729 HE21 GLN 93 2HE2 GLN 93 3.688 0.655 -12.814 730 HE22 GLN 93 1HE2 GLN 93 3.187 2.204 -12.232 731 H THR 94 H THR 94 8.495 -2.558 -9.347 732 HA THR 94 HA THR 94 6.838 -4.666 -8.157 733 HB THR 94 HB THR 94 9.837 -4.319 -8.026 734 HG1 THR 94 HG1 THR 94 9.327 -4.787 -10.149 735 HG21 THR 94 3HG2 THR 94 9.825 -6.666 -7.296 736 HG22 THR 94 1HG2 THR 94 8.060 -6.663 -7.327 737 HG23 THR 94 2HG2 THR 94 8.923 -5.638 -6.181 738 H VAL 95 H VAL 95 5.800 -3.923 -6.416 739 HA VAL 95 HA VAL 95 7.370 -2.450 -4.399 740 HB VAL 95 HB VAL 95 4.375 -2.293 -4.782 741 HG11 VAL 95 1HG1 VAL 95 5.116 -1.886 -2.493 742 HG12 VAL 95 2HG1 VAL 95 4.504 -0.408 -3.236 743 HG13 VAL 95 3HG1 VAL 95 6.242 -0.656 -3.070 744 HG21 VAL 95 3HG2 VAL 95 4.775 -0.018 -5.649 745 HG22 VAL 95 1HG2 VAL 95 5.466 -1.268 -6.684 746 HG23 VAL 95 2HG2 VAL 95 6.512 -0.334 -5.615 747 H ASP 96 H ASP 96 7.895 -3.842 -2.841 748 HA ASP 96 HA ASP 96 6.048 -5.999 -2.130 749 HB2 ASP 96 1HB ASP 96 8.530 -6.400 -2.533 750 HB3 ASP 96 2HB ASP 96 8.829 -5.508 -1.048 751 H VAL 97 H VAL 97 4.594 -5.553 -0.594 752 HA VAL 97 HA VAL 97 5.174 -3.326 1.236 753 HB VAL 97 HB VAL 97 2.486 -4.477 0.473 754 HG11 VAL 97 1HG1 VAL 97 1.565 -2.475 1.525 755 HG12 VAL 97 2HG1 VAL 97 3.190 -1.964 1.986 756 HG13 VAL 97 3HG1 VAL 97 2.498 -3.430 2.680 757 HG21 VAL 97 3HG2 VAL 97 2.207 -2.416 -0.841 758 HG22 VAL 97 1HG2 VAL 97 3.529 -3.419 -1.440 759 HG23 VAL 97 2HG2 VAL 97 3.878 -1.979 -0.482 760 H TYR 98 H TYR 98 5.027 -3.528 3.381 761 HA TYR 98 HA TYR 98 4.383 -6.191 4.474 762 HB2 TYR 98 1HB TYR 98 6.326 -4.198 5.663 763 HB3 TYR 98 2HB TYR 98 6.076 -5.871 6.151 764 HD1 TYR 98 HD2 TYR 98 6.847 -7.709 4.652 765 HD2 TYR 98 HD1 TYR 98 7.808 -3.637 3.905 766 HE1 TYR 98 HE2 TYR 98 8.645 -8.421 3.137 767 HE2 TYR 98 HE1 TYR 98 9.610 -4.331 2.383 768 HH TYR 98 HH TYR 98 9.837 -7.306 1.061 769 H PHE 99 H PHE 99 2.648 -6.170 5.756 770 HA PHE 99 HA PHE 99 1.941 -3.653 7.109 771 HB2 PHE 99 1HB PHE 99 0.256 -6.042 6.337 772 HB3 PHE 99 2HB PHE 99 -0.322 -4.767 7.405 773 HD1 PHE 99 HD1 PHE 99 -0.352 -2.390 6.507 774 HD2 PHE 99 HD2 PHE 99 0.096 -5.816 4.022 775 HE1 PHE 99 HE1 PHE 99 -1.074 -1.071 4.565 776 HE2 PHE 99 HE2 PHE 99 -0.621 -4.494 2.071 777 HZ PHE 99 HZ PHE 99 -1.206 -2.120 2.342 778 H GLN 100 H GLN 100 2.584 -3.564 9.122 779 HA GLN 100 HA GLN 100 2.882 -6.064 10.649 780 HB2 GLN 100 1HB GLN 100 4.954 -4.769 10.234 781 HB3 GLN 100 2HB GLN 100 4.233 -3.390 11.049 782 HG2 GLN 100 1HG GLN 100 4.110 -4.695 13.124 783 HG3 GLN 100 2HG GLN 100 4.869 -6.054 12.298 784 HE21 GLN 100 2HE2 GLN 100 5.754 -2.717 11.741 785 HE22 GLN 100 1HE2 GLN 100 7.321 -2.817 12.457 786 H ASP 101 H ASP 101 1.879 -6.294 12.591 787 HA ASP 101 HA ASP 101 0.157 -4.059 13.437 788 HB2 ASP 101 1HB ASP 101 -1.508 -5.537 13.709 789 HB3 ASP 101 2HB ASP 101 -0.479 -6.737 12.936 790 H SER 102 H SER 102 -0.292 -4.072 15.871 791 HA SER 102 HA SER 102 2.216 -3.553 17.112 792 HB2 SER 102 1HB SER 102 -0.577 -3.510 18.272 793 HB3 SER 102 2HB SER 102 0.863 -2.837 19.041 794 HG SER 102 HG SER 102 0.264 -2.029 16.426 795 H PHE 103 H PHE 103 0.135 -6.316 17.066 796 HA PHE 103 HA PHE 103 1.188 -7.446 19.503 797 HB2 PHE 103 1HB PHE 103 -1.067 -8.029 18.789 798 HB3 PHE 103 2HB PHE 103 -0.449 -8.681 17.276 799 HD1 PHE 103 HD2 PHE 103 -0.235 -9.137 20.961 800 HD2 PHE 103 HD1 PHE 103 0.071 -10.931 17.113 801 HE1 PHE 103 HE2 PHE 103 -0.010 -11.349 22.014 802 HE2 PHE 103 HE1 PHE 103 0.296 -13.146 18.160 803 HZ PHE 103 HZ PHE 103 0.256 -13.358 20.615 804 H GLY 104 H GLY 104 2.055 -7.416 16.147 805 HA2 GLY 104 1HA GLY 104 4.451 -7.877 15.763 806 HA3 GLY 104 2HA GLY 104 4.256 -9.289 16.790 807 H GLN 105 H GLN 105 1.566 -8.799 14.806 808 HA GLN 105 HA GLN 105 2.283 -11.031 13.116 809 HB2 GLN 105 1HB GLN 105 -0.165 -9.260 13.230 810 HB3 GLN 105 2HB GLN 105 0.017 -10.597 12.102 811 HG2 GLN 105 1HG GLN 105 0.134 -10.885 15.095 812 HG3 GLN 105 2HG GLN 105 -1.322 -11.123 14.127 813 HE21 GLN 105 2HE2 GLN 105 -1.488 -12.918 12.819 814 HE22 GLN 105 1HE2 GLN 105 -0.434 -14.280 12.957 815 H LEU 106 H LEU 106 2.759 -10.962 10.958 816 HA LEU 106 HA LEU 106 3.042 -8.301 9.750 817 HB2 LEU 106 1HB LEU 106 5.223 -9.098 10.579 818 HB3 LEU 106 2HB LEU 106 5.054 -10.546 9.609 819 HG LEU 106 HG LEU 106 5.161 -9.213 7.560 820 HD11 LEU 106 1HD1 LEU 106 5.701 -6.843 7.640 821 HD12 LEU 106 2HD1 LEU 106 5.568 -6.859 9.399 822 HD13 LEU 106 3HD1 LEU 106 4.143 -7.157 8.403 823 HD21 LEU 106 3HD2 LEU 106 7.496 -8.513 7.739 824 HD22 LEU 106 1HD2 LEU 106 7.223 -10.076 8.508 825 HD23 LEU 106 2HD2 LEU 106 7.390 -8.624 9.497 826 H GLN 107 H GLN 107 1.916 -8.176 7.979 827 HA GLN 107 HA GLN 107 1.373 -10.625 6.435 828 HB2 GLN 107 1HB GLN 107 -0.635 -9.585 7.337 829 HB3 GLN 107 2HB GLN 107 -0.184 -8.038 6.637 830 HG2 GLN 107 1HG GLN 107 -0.422 -9.012 4.391 831 HG3 GLN 107 2HG GLN 107 -0.937 -10.532 5.127 832 HE21 GLN 107 2HE2 GLN 107 -1.795 -7.451 6.469 833 HE22 GLN 107 1HE2 GLN 107 -3.474 -7.514 6.067 834 H GLN 108 H GLN 108 2.699 -10.774 4.762 835 HA GLN 108 HA GLN 108 3.770 -8.335 3.559 836 HB2 GLN 108 1HB GLN 108 5.260 -10.245 4.288 837 HB3 GLN 108 2HB GLN 108 4.567 -11.189 2.975 838 HG2 GLN 108 1HG GLN 108 5.375 -9.518 1.372 839 HG3 GLN 108 2HG GLN 108 6.105 -8.617 2.699 840 HE21 GLN 108 2HE2 GLN 108 7.385 -9.732 0.401 841 HE22 GLN 108 1HE2 GLN 108 8.558 -10.876 0.974 842 H LEU 109 H LEU 109 3.046 -7.564 1.715 843 HA LEU 109 HA LEU 109 1.655 -9.380 -0.144 844 HB2 LEU 109 1HB LEU 109 0.929 -6.533 0.558 845 HB3 LEU 109 2HB LEU 109 0.230 -7.425 -0.778 846 HG LEU 109 HG LEU 109 -0.012 -8.242 2.120 847 HD11 LEU 109 1HD1 LEU 109 -1.183 -6.150 1.726 848 HD12 LEU 109 2HD1 LEU 109 -2.331 -7.472 1.929 849 HD13 LEU 109 3HD1 LEU 109 -1.983 -6.844 0.318 850 HD21 LEU 109 3HD2 LEU 109 -1.421 -9.226 -0.360 851 HD22 LEU 109 1HD2 LEU 109 -1.732 -9.760 1.291 852 HD23 LEU 109 2HD2 LEU 109 -0.178 -10.102 0.531 853 H THR 110 H THR 110 2.998 -9.606 -1.808 854 HA THR 110 HA THR 110 4.693 -7.389 -2.639 855 HB THR 110 HB THR 110 4.594 -10.191 -3.776 856 HG1 THR 110 HG1 THR 110 5.992 -9.078 -1.556 857 HG21 THR 110 3HG2 THR 110 5.707 -8.533 -5.197 858 HG22 THR 110 1HG2 THR 110 6.873 -9.671 -4.524 859 HG23 THR 110 2HG2 THR 110 6.728 -8.052 -3.843 860 H PHE 111 H PHE 111 4.035 -6.026 -4.170 861 HA PHE 111 HA PHE 111 1.955 -6.939 -6.041 862 HB2 PHE 111 1HB PHE 111 2.673 -4.139 -5.154 863 HB3 PHE 111 2HB PHE 111 1.444 -4.528 -6.352 864 HD1 PHE 111 HD1 PHE 111 -0.578 -5.819 -5.644 865 HD2 PHE 111 HD2 PHE 111 2.212 -4.223 -2.857 866 HE1 PHE 111 HE1 PHE 111 -2.253 -6.028 -3.855 867 HE2 PHE 111 HE2 PHE 111 0.543 -4.431 -1.061 868 HZ PHE 111 HZ PHE 111 -1.693 -5.335 -1.559 869 H SER 112 H SER 112 2.661 -7.405 -8.002 870 HA SER 112 HA SER 112 4.814 -5.762 -9.134 871 HB2 SER 112 1HB SER 112 4.924 -7.719 -10.828 872 HB3 SER 112 2HB SER 112 5.577 -7.985 -9.212 873 HG SER 112 HG SER 112 4.198 -9.543 -9.014 874 H PHE 113 H PHE 113 3.991 -4.173 -10.295 875 HA PHE 113 HA PHE 113 1.321 -4.358 -11.376 876 HB2 PHE 113 1HB PHE 113 3.362 -2.132 -11.410 877 HB3 PHE 113 2HB PHE 113 1.742 -1.994 -12.084 878 HD1 PHE 113 HD2 PHE 113 -0.219 -1.997 -10.616 879 HD2 PHE 113 HD1 PHE 113 3.735 -2.072 -9.044 880 HE1 PHE 113 HE2 PHE 113 -1.085 -1.330 -8.412 881 HE2 PHE 113 HE1 PHE 113 2.875 -1.407 -6.839 882 HZ PHE 113 HZ PHE 113 0.463 -1.033 -6.520 883 H ASN 114 H ASN 114 0.967 -3.357 -13.586 884 HA ASN 114 HA ASN 114 1.204 -3.269 -15.831 885 HB2 ASN 114 1HB ASN 114 3.489 -2.485 -15.545 886 HB3 ASN 114 2HB ASN 114 4.057 -4.138 -15.346 887 HD21 ASN 114 2HD2 ASN 114 3.022 -1.712 -17.581 888 HD22 ASN 114 1HD2 ASN 114 3.425 -2.576 -19.023 889 H ASN 115 H ASN 115 3.297 -6.084 -15.091 890 HA ASN 115 HA ASN 115 1.324 -7.727 -16.512 891 HB2 ASN 115 1HB ASN 115 3.531 -6.791 -17.808 892 HB3 ASN 115 2HB ASN 115 4.135 -8.319 -17.182 893 HD21 ASN 115 2HD2 ASN 115 1.358 -9.481 -17.341 894 HD22 ASN 115 1HD2 ASN 115 1.150 -9.843 -19.021 895 H ASP 116 H ASP 116 2.869 -10.049 -16.641 896 HA ASP 116 HA ASP 116 2.956 -10.731 -13.779 897 HB2 ASP 116 1HB ASP 116 2.272 -12.539 -16.112 898 HB3 ASP 116 2HB ASP 116 2.223 -12.972 -14.408 899 H SER 117 H SER 117 5.098 -10.690 -13.298 900 HA SER 117 HA SER 117 7.012 -11.891 -15.122 901 HB2 SER 117 1HB SER 117 8.595 -11.256 -13.137 902 HB3 SER 117 2HB SER 117 7.920 -9.973 -14.142 903 HG SER 117 HG SER 117 7.588 -10.432 -11.501 904 H SER 118 H SER 118 6.136 -14.001 -15.054 905 HA SER 118 HA SER 118 5.854 -15.332 -12.502 906 HB2 SER 118 1HB SER 118 5.336 -16.356 -15.300 907 HB3 SER 118 2HB SER 118 4.794 -17.099 -13.793 908 HG SER 118 HG SER 118 3.828 -14.814 -13.500 909 H LYS 119 H LYS 119 8.571 -14.668 -13.417 910 HA LYS 119 HA LYS 119 9.669 -17.325 -13.045 911 HB2 LYS 119 1HB LYS 119 9.595 -17.006 -15.503 912 HB3 LYS 119 2HB LYS 119 10.603 -15.575 -15.324 913 HG2 LYS 119 1HG LYS 119 12.429 -16.871 -14.518 914 HG3 LYS 119 2HG LYS 119 11.429 -18.319 -14.420 915 HD2 LYS 119 1HD LYS 119 11.122 -18.183 -16.894 916 HD3 LYS 119 2HD LYS 119 12.298 -16.865 -16.911 917 HE2 LYS 119 1HE LYS 119 13.325 -19.030 -17.457 918 HE3 LYS 119 2HE LYS 119 13.995 -18.326 -15.985 919 HZ1 LYS 119 3HZ LYS 119 13.476 -20.753 -15.867 920 HZ2 LYS 119 1HZ LYS 119 11.833 -20.363 -15.978 921 HZ3 LYS 119 2HZ LYS 119 12.746 -19.825 -14.656 922 H GLU 120 H GLU 120 11.393 -17.341 -11.774 923 HA GLU 120 HA GLU 120 12.663 -14.766 -11.114 924 HB2 GLU 120 1HB GLU 120 12.174 -17.211 -9.403 925 HB3 GLU 120 2HB GLU 120 13.230 -15.890 -8.923 926 HG2 GLU 120 1HG GLU 120 10.283 -15.672 -9.497 927 HG3 GLU 120 2HG GLU 120 11.035 -15.693 -7.900 928 H GLU 121 H GLU 121 14.889 -15.290 -9.999 929 HA GLU 121 HA GLU 121 16.990 -16.124 -10.011 930 HB2 GLU 121 1HB GLU 121 15.635 -18.318 -9.839 931 HB3 GLU 121 2HB GLU 121 16.051 -18.539 -11.532 932 HG2 GLU 121 1HG GLU 121 17.586 -19.737 -10.089 933 HG3 GLU 121 2HG GLU 121 18.421 -18.455 -10.968 934 H GLU 122 H GLU 122 15.866 -17.516 -13.090 935 HA GLU 122 HA GLU 122 18.257 -16.493 -14.360 936 HB2 GLU 122 1HB GLU 122 16.052 -18.300 -15.336 937 HB3 GLU 122 2HB GLU 122 17.404 -17.791 -16.341 938 HG2 GLU 122 1HG GLU 122 18.971 -18.857 -14.862 939 HG3 GLU 122 2HG GLU 122 17.681 -19.268 -13.733 940 H LEU 123 H LEU 123 15.179 -15.325 -13.863 941 HA LEU 123 HA LEU 123 15.173 -13.658 -16.254 942 HB2 LEU 123 1HB LEU 123 13.060 -14.514 -15.101 943 HB3 LEU 123 2HB LEU 123 13.412 -13.378 -13.814 944 HG LEU 123 HG LEU 123 13.289 -11.526 -15.486 945 HD11 LEU 123 1HD1 LEU 123 12.245 -11.991 -17.653 946 HD12 LEU 123 2HD1 LEU 123 12.294 -13.719 -17.301 947 HD13 LEU 123 3HD1 LEU 123 13.795 -12.814 -17.485 948 HD21 LEU 123 3HD2 LEU 123 10.839 -13.266 -15.222 949 HD22 LEU 123 1HD2 LEU 123 10.840 -11.568 -15.690 950 HD23 LEU 123 2HD2 LEU 123 11.377 -12.037 -14.078 951 H GLU 124 H GLU 124 15.115 -11.186 -15.865 952 HA GLU 124 HA GLU 124 17.534 -10.597 -14.462 953 HB2 GLU 124 1HB GLU 124 16.464 -9.466 -16.604 954 HB3 GLU 124 2HB GLU 124 15.749 -8.400 -15.404 955 HG2 GLU 124 1HG GLU 124 18.692 -8.903 -15.799 956 HG3 GLU 124 2HG GLU 124 17.804 -7.471 -16.309 957 H HIS 125 H HIS 125 16.989 -11.207 -12.357 958 HA HIS 125 HA HIS 125 15.861 -8.949 -10.868 959 HB2 HIS 125 1HB HIS 125 15.277 -11.868 -10.469 960 HB3 HIS 125 2HB HIS 125 15.293 -10.789 -9.080 961 HD1 HIS 125 HD1 HIS 125 12.680 -12.142 -9.782 962 HD2 HIS 125 HD2 HIS 125 13.805 -8.432 -11.298 963 HE1 HIS 125 HE1 HIS 125 10.548 -11.012 -10.470 964 HE2 HIS 125 HE2 HIS 125 11.236 -8.679 -11.098 965 H HIS 126 H HIS 126 16.935 -8.585 -8.834 966 HA HIS 126 HA HIS 126 19.745 -9.271 -9.257 967 HB2 HIS 126 1HB HIS 126 18.441 -7.002 -7.746 968 HB3 HIS 126 2HB HIS 126 20.184 -7.271 -7.812 969 HD1 HIS 126 HD1 HIS 126 21.396 -6.321 -9.795 970 HD2 HIS 126 HD2 HIS 126 17.284 -6.502 -10.387 971 HE1 HIS 126 HE1 HIS 126 20.978 -5.229 -12.018 972 HE2 HIS 126 HE2 HIS 126 18.535 -5.631 -12.476 973 H HIS 127 H HIS 127 17.942 -11.091 -8.019 974 HA HIS 127 HA HIS 127 19.006 -11.327 -5.305 975 HB2 HIS 127 1HB HIS 127 16.576 -11.837 -5.843 976 HB3 HIS 127 2HB HIS 127 17.143 -13.211 -6.783 977 HD1 HIS 127 HD1 HIS 127 17.854 -15.310 -5.498 978 HD2 HIS 127 HD2 HIS 127 16.804 -12.117 -3.042 979 HE1 HIS 127 HE1 HIS 127 17.639 -16.271 -3.182 980 HE2 HIS 127 HE2 HIS 127 16.765 -14.373 -1.774 981 H HIS 128 H HIS 128 20.633 -12.763 -4.825 982 HA HIS 128 HA HIS 128 21.699 -14.328 -7.087 983 HB2 HIS 128 1HB HIS 128 23.974 -13.657 -6.475 984 HB3 HIS 128 2HB HIS 128 22.995 -12.247 -6.856 985 HD1 HIS 128 HD1 HIS 128 25.176 -13.643 -4.308 986 HD2 HIS 128 HD2 HIS 128 22.154 -10.787 -4.446 987 HE1 HIS 128 HE1 HIS 128 25.397 -12.316 -2.178 988 HE2 HIS 128 HE2 HIS 128 23.575 -10.572 -2.290 989 H HIS 129 H HIS 129 20.101 -15.485 -5.257 990 HA HIS 129 HA HIS 129 19.882 -17.141 -3.728 991 HB2 HIS 129 1HB HIS 129 22.852 -17.542 -4.179 992 HB3 HIS 129 2HB HIS 129 21.806 -18.652 -3.307 993 HD1 HIS 129 HD1 HIS 129 23.199 -18.096 -6.570 994 HD2 HIS 129 HD2 HIS 129 19.629 -19.658 -5.101 995 HE1 HIS 129 HE1 HIS 129 22.209 -19.433 -8.458 996 HE2 HIS 129 HE2 HIS 129 20.019 -20.313 -7.575 997 H HIS 130 H HIS 130 23.170 -16.555 -2.671 998 HA HIS 130 HA HIS 130 22.761 -14.486 -0.875 999 HB2 HIS 130 1HB HIS 130 22.639 -15.560 1.288 1000 HB3 HIS 130 2HB HIS 130 21.268 -16.089 0.324 1001 HD1 HIS 130 HD1 HIS 130 24.510 -17.316 1.773 1002 HD2 HIS 130 HD2 HIS 130 21.150 -18.822 -0.160 1003 HE1 HIS 130 HE1 HIS 130 24.656 -19.814 2.013 1004 HE2 HIS 130 HE2 HIS 130 22.650 -20.714 0.781 Start of MODEL 14 1 H1 MET 1 1H MET 1 -22.026 -18.618 22.732 2 H2 MET 1 2H MET 1 -22.632 -20.187 22.920 3 H3 MET 1 3H MET 1 -22.294 -19.590 21.367 4 HA MET 1 HA MET 1 -19.944 -19.427 21.939 5 HB2 MET 1 1HB MET 1 -19.094 -20.385 23.965 6 HB3 MET 1 2HB MET 1 -20.372 -19.268 24.422 7 HG2 MET 1 1HG MET 1 -21.921 -21.168 24.644 8 HG3 MET 1 2HG MET 1 -20.599 -22.264 24.252 9 HE1 MET 1 3HE MET 1 -20.634 -18.997 26.473 10 HE2 MET 1 1HE MET 1 -20.877 -19.698 28.071 11 HE3 MET 1 2HE MET 1 -22.147 -19.821 26.850 12 H ASN 2 H ASN 2 -18.513 -21.482 21.992 13 HA ASN 2 HA ASN 2 -19.998 -23.554 20.527 14 HB2 ASN 2 1HB ASN 2 -17.238 -22.475 20.317 15 HB3 ASN 2 2HB ASN 2 -17.453 -24.190 19.987 16 HD21 ASN 2 2HD2 ASN 2 -16.934 -23.962 17.835 17 HD22 ASN 2 1HD2 ASN 2 -17.992 -23.195 16.698 18 H ASP 3 H ASP 3 -17.610 -23.066 23.082 19 HA ASP 3 HA ASP 3 -16.467 -24.513 24.415 20 HB2 ASP 3 1HB ASP 3 -18.817 -24.678 25.368 21 HB3 ASP 3 2HB ASP 3 -19.010 -26.156 24.429 22 H ASP 4 H ASP 4 -15.365 -24.877 22.322 23 HA ASP 4 HA ASP 4 -16.169 -27.139 20.709 24 HB2 ASP 4 1HB ASP 4 -15.145 -24.726 20.095 25 HB3 ASP 4 2HB ASP 4 -13.653 -25.654 20.168 26 H VAL 5 H VAL 5 -14.006 -28.268 19.735 27 HA VAL 5 HA VAL 5 -12.692 -29.529 22.027 28 HB VAL 5 HB VAL 5 -12.410 -30.244 19.099 29 HG11 VAL 5 1HG1 VAL 5 -11.752 -31.803 21.597 30 HG12 VAL 5 2HG1 VAL 5 -10.589 -31.038 20.513 31 HG13 VAL 5 3HG1 VAL 5 -11.578 -32.380 19.938 32 HG21 VAL 5 3HG2 VAL 5 -14.736 -30.471 19.782 33 HG22 VAL 5 1HG2 VAL 5 -14.248 -31.447 21.165 34 HG23 VAL 5 2HG2 VAL 5 -14.002 -32.054 19.527 35 H ASP 6 H ASP 6 -11.309 -27.916 22.691 36 HA ASP 6 HA ASP 6 -9.596 -26.431 22.727 37 HB2 ASP 6 1HB ASP 6 -8.448 -28.539 21.607 38 HB3 ASP 6 2HB ASP 6 -8.435 -27.505 20.182 39 H ILE 7 H ILE 7 -8.377 -24.809 21.022 40 HA ILE 7 HA ILE 7 -10.384 -23.870 19.108 41 HB ILE 7 HB ILE 7 -9.183 -22.069 21.224 42 HG12 ILE 7 1HG1 ILE 7 -12.054 -22.939 20.812 43 HG13 ILE 7 2HG1 ILE 7 -10.991 -23.520 22.087 44 HG21 ILE 7 1HG2 ILE 7 -10.605 -20.325 20.244 45 HG22 ILE 7 2HG2 ILE 7 -11.107 -21.452 18.984 46 HG23 ILE 7 3HG2 ILE 7 -9.424 -20.937 19.086 47 HD11 ILE 7 3HD1 ILE 7 -12.530 -21.835 22.910 48 HD12 ILE 7 1HD1 ILE 7 -11.918 -20.682 21.724 49 HD13 ILE 7 2HD1 ILE 7 -10.864 -21.269 23.008 50 H GLN 8 H GLN 8 -7.202 -23.212 20.551 51 HA GLN 8 HA GLN 8 -5.243 -22.455 19.704 52 HB2 GLN 8 1HB GLN 8 -6.250 -23.644 17.107 53 HB3 GLN 8 2HB GLN 8 -4.592 -23.164 17.438 54 HG2 GLN 8 1HG GLN 8 -4.473 -24.860 19.210 55 HG3 GLN 8 2HG GLN 8 -6.123 -25.352 18.828 56 HE21 GLN 8 2HE2 GLN 8 -3.664 -26.907 18.736 57 HE22 GLN 8 1HE2 GLN 8 -3.524 -27.484 17.107 58 H GLN 9 H GLN 9 -5.922 -20.296 20.066 59 HA GLN 9 HA GLN 9 -7.429 -18.913 18.059 60 HB2 GLN 9 1HB GLN 9 -5.993 -17.724 20.436 61 HB3 GLN 9 2HB GLN 9 -7.238 -16.951 19.469 62 HG2 GLN 9 1HG GLN 9 -8.373 -17.609 21.369 63 HG3 GLN 9 2HG GLN 9 -8.739 -18.900 20.226 64 HE21 GLN 9 2HE2 GLN 9 -5.648 -18.541 21.803 65 HE22 GLN 9 1HE2 GLN 9 -5.777 -19.942 22.815 66 H SER 10 H SER 10 -5.975 -19.316 16.296 67 HA SER 10 HA SER 10 -3.969 -17.171 16.154 68 HB2 SER 10 1HB SER 10 -2.941 -19.438 16.001 69 HB3 SER 10 2HB SER 10 -3.956 -19.776 14.601 70 HG SER 10 HG SER 10 -1.821 -17.936 14.850 71 H TYR 11 H TYR 11 -5.939 -15.939 15.672 72 HA TYR 11 HA TYR 11 -6.729 -16.252 12.853 73 HB2 TYR 11 1HB TYR 11 -8.293 -15.025 15.134 74 HB3 TYR 11 2HB TYR 11 -8.806 -15.027 13.451 75 HD1 TYR 11 HD1 TYR 11 -9.410 -17.174 12.351 76 HD2 TYR 11 HD2 TYR 11 -8.579 -16.951 16.519 77 HE1 TYR 11 HE1 TYR 11 -10.501 -19.351 12.678 78 HE2 TYR 11 HE2 TYR 11 -9.669 -19.131 16.858 79 HH TYR 11 HH TYR 11 -11.337 -20.560 15.754 80 HA PRO 12 HA PRO 12 -4.336 -12.381 12.891 81 HB2 PRO 12 1HB PRO 12 -3.916 -12.986 10.067 82 HB3 PRO 12 2HB PRO 12 -2.725 -12.825 11.358 83 HG2 PRO 12 1HG PRO 12 -3.302 -15.197 10.185 84 HG3 PRO 12 2HG PRO 12 -2.789 -15.059 11.878 85 HD2 PRO 12 1HD PRO 12 -5.546 -15.420 10.751 86 HD3 PRO 12 2HD PRO 12 -4.798 -16.184 12.172 87 H PHE 13 H PHE 13 -4.609 -10.400 11.698 88 HA PHE 13 HA PHE 13 -7.301 -9.910 10.940 89 HB2 PHE 13 1HB PHE 13 -6.386 -7.631 10.274 90 HB3 PHE 13 2HB PHE 13 -6.169 -8.094 11.956 91 HD1 PHE 13 HD2 PHE 13 -4.489 -7.497 8.758 92 HD2 PHE 13 HD1 PHE 13 -3.982 -8.529 12.854 93 HE1 PHE 13 HE2 PHE 13 -2.077 -7.057 8.569 94 HE2 PHE 13 HE1 PHE 13 -1.570 -8.087 12.671 95 HZ PHE 13 HZ PHE 13 -0.613 -7.352 10.526 96 H SER 14 H SER 14 -8.214 -9.680 8.969 97 HA SER 14 HA SER 14 -6.658 -10.735 6.735 98 HB2 SER 14 1HB SER 14 -8.980 -10.832 5.639 99 HB3 SER 14 2HB SER 14 -8.680 -11.932 6.984 100 HG SER 14 HG SER 14 -10.021 -10.819 8.232 101 H ILE 15 H ILE 15 -5.843 -9.413 5.270 102 HA ILE 15 HA ILE 15 -6.895 -6.687 5.118 103 HB ILE 15 HB ILE 15 -4.263 -7.819 4.164 104 HG12 ILE 15 1HG1 ILE 15 -5.002 -5.929 6.407 105 HG13 ILE 15 2HG1 ILE 15 -4.429 -7.584 6.584 106 HG21 ILE 15 1HG2 ILE 15 -5.019 -6.057 2.657 107 HG22 ILE 15 2HG2 ILE 15 -3.654 -5.505 3.627 108 HG23 ILE 15 3HG2 ILE 15 -5.290 -4.985 4.030 109 HD11 ILE 15 3HD1 ILE 15 -2.685 -5.974 7.066 110 HD12 ILE 15 1HD1 ILE 15 -2.855 -5.290 5.448 111 HD13 ILE 15 2HD1 ILE 15 -2.282 -6.946 5.651 112 H GLU 16 H GLU 16 -8.361 -6.393 3.640 113 HA GLU 16 HA GLU 16 -8.347 -8.037 1.219 114 HB2 GLU 16 1HB GLU 16 -10.403 -7.783 2.694 115 HB3 GLU 16 2HB GLU 16 -10.483 -6.117 2.142 116 HG2 GLU 16 1HG GLU 16 -10.628 -6.963 -0.188 117 HG3 GLU 16 2HG GLU 16 -10.726 -8.599 0.465 118 H THR 17 H THR 17 -7.206 -7.179 -0.389 119 HA THR 17 HA THR 17 -7.381 -4.280 -0.852 120 HB THR 17 HB THR 17 -5.292 -4.590 -2.211 121 HG1 THR 17 HG1 THR 17 -5.463 -6.832 -2.580 122 HG21 THR 17 3HG2 THR 17 -3.777 -4.870 -0.264 123 HG22 THR 17 1HG2 THR 17 -5.161 -5.380 0.701 124 HG23 THR 17 2HG2 THR 17 -5.098 -3.742 0.046 125 H MET 18 H MET 18 -8.506 -3.659 -2.591 126 HA MET 18 HA MET 18 -9.648 -5.490 -4.409 127 HB2 MET 18 1HB MET 18 -10.320 -3.505 -5.707 128 HB3 MET 18 2HB MET 18 -10.685 -3.326 -3.998 129 HG2 MET 18 1HG MET 18 -8.776 -1.888 -3.696 130 HG3 MET 18 2HG MET 18 -8.286 -2.138 -5.370 131 HE1 MET 18 3HE MET 18 -11.185 -0.361 -7.322 132 HE2 MET 18 1HE MET 18 -11.075 -2.066 -6.885 133 HE3 MET 18 2HE MET 18 -9.645 -1.211 -7.464 134 HA PRO 19 HA PRO 19 -6.387 -6.444 -7.208 135 HB2 PRO 19 1HB PRO 19 -7.905 -6.381 -9.559 136 HB3 PRO 19 2HB PRO 19 -7.666 -7.782 -8.514 137 HG2 PRO 19 1HG PRO 19 -9.957 -5.883 -8.647 138 HG3 PRO 19 2HG PRO 19 -9.955 -7.625 -8.319 139 HD2 PRO 19 1HD PRO 19 -10.297 -5.831 -6.356 140 HD3 PRO 19 2HD PRO 19 -9.384 -7.332 -6.090 141 H VAL 20 H VAL 20 -4.884 -5.259 -8.168 142 HA VAL 20 HA VAL 20 -5.435 -2.460 -8.641 143 HB VAL 20 HB VAL 20 -3.002 -2.218 -8.850 144 HG11 VAL 20 1HG1 VAL 20 -2.400 -2.852 -6.564 145 HG12 VAL 20 2HG1 VAL 20 -3.827 -3.884 -6.473 146 HG13 VAL 20 3HG1 VAL 20 -4.011 -2.137 -6.634 147 HG21 VAL 20 3HG2 VAL 20 -2.907 -5.210 -8.446 148 HG22 VAL 20 1HG2 VAL 20 -1.516 -4.125 -8.495 149 HG23 VAL 20 2HG2 VAL 20 -2.508 -4.355 -9.936 150 HA PRO 21 HA PRO 21 -5.419 -2.388 -13.105 151 HB2 PRO 21 1HB PRO 21 -3.191 -0.424 -12.894 152 HB3 PRO 21 2HB PRO 21 -4.732 -0.288 -13.750 153 HG2 PRO 21 1HG PRO 21 -4.337 1.022 -11.468 154 HG3 PRO 21 2HG PRO 21 -5.906 0.271 -11.823 155 HD2 PRO 21 1HD PRO 21 -3.725 -0.661 -10.006 156 HD3 PRO 21 2HD PRO 21 -5.486 -0.749 -9.797 157 H LYS 22 H LYS 22 -4.262 -3.235 -14.825 158 HA LYS 22 HA LYS 22 -2.012 -4.877 -13.990 159 HB2 LYS 22 1HB LYS 22 -3.614 -4.899 -16.559 160 HB3 LYS 22 2HB LYS 22 -2.350 -6.048 -16.147 161 HG2 LYS 22 1HG LYS 22 -4.327 -7.177 -15.656 162 HG3 LYS 22 2HG LYS 22 -3.777 -6.596 -14.086 163 HD2 LYS 22 1HD LYS 22 -5.304 -4.636 -14.370 164 HD3 LYS 22 2HD LYS 22 -5.929 -5.400 -15.830 165 HE2 LYS 22 1HE LYS 22 -7.424 -5.894 -14.036 166 HE3 LYS 22 2HE LYS 22 -6.555 -7.372 -14.444 167 HZ1 LYS 22 3HZ LYS 22 -5.187 -7.149 -12.539 168 HZ2 LYS 22 1HZ LYS 22 -6.783 -6.916 -12.026 169 HZ3 LYS 22 2HZ LYS 22 -5.761 -5.583 -12.213 170 H LYS 23 H LYS 23 -2.750 -2.181 -16.040 171 HA LYS 23 HA LYS 23 0.128 -1.902 -16.603 172 HB2 LYS 23 1HB LYS 23 -2.189 -1.321 -18.451 173 HB3 LYS 23 2HB LYS 23 -0.566 -0.706 -18.724 174 HG2 LYS 23 1HG LYS 23 -1.428 -3.590 -18.665 175 HG3 LYS 23 2HG LYS 23 -0.900 -2.659 -20.070 176 HD2 LYS 23 1HD LYS 23 1.275 -2.309 -18.712 177 HD3 LYS 23 2HD LYS 23 0.709 -3.685 -17.762 178 HE2 LYS 23 1HE LYS 23 2.170 -4.505 -19.469 179 HE3 LYS 23 2HE LYS 23 0.522 -4.981 -19.881 180 HZ1 LYS 23 3HZ LYS 23 1.895 -4.073 -21.751 181 HZ2 LYS 23 1HZ LYS 23 1.827 -2.560 -20.988 182 HZ3 LYS 23 2HZ LYS 23 0.397 -3.306 -21.526 183 H LEU 24 H LEU 24 0.996 0.069 -16.188 184 HA LEU 24 HA LEU 24 -0.752 2.354 -15.720 185 HB2 LEU 24 1HB LEU 24 1.057 1.145 -13.639 186 HB3 LEU 24 2HB LEU 24 0.570 2.827 -13.574 187 HG LEU 24 HG LEU 24 -1.320 0.473 -13.515 188 HD11 LEU 24 1HD1 LEU 24 -1.636 1.038 -11.173 189 HD12 LEU 24 2HD1 LEU 24 -0.435 2.322 -11.305 190 HD13 LEU 24 3HD1 LEU 24 0.052 0.635 -11.491 191 HD21 LEU 24 3HD2 LEU 24 -1.794 3.428 -13.145 192 HD22 LEU 24 1HD2 LEU 24 -2.992 2.161 -12.886 193 HD23 LEU 24 2HD2 LEU 24 -2.341 2.442 -14.501 194 H LYS 25 H LYS 25 0.050 3.898 -16.921 195 HA LYS 25 HA LYS 25 2.929 3.959 -17.478 196 HB2 LYS 25 1HB LYS 25 0.634 5.440 -18.781 197 HB3 LYS 25 2HB LYS 25 2.319 5.544 -19.276 198 HG2 LYS 25 1HG LYS 25 2.315 3.179 -19.844 199 HG3 LYS 25 2HG LYS 25 0.640 3.043 -19.312 200 HD2 LYS 25 1HD LYS 25 0.735 3.217 -21.724 201 HD3 LYS 25 2HD LYS 25 -0.018 4.662 -21.047 202 HE2 LYS 25 1HE LYS 25 1.996 5.928 -21.353 203 HE3 LYS 25 2HE LYS 25 2.891 4.482 -21.819 204 HZ1 LYS 25 3HZ LYS 25 2.223 5.884 -23.717 205 HZ2 LYS 25 1HZ LYS 25 0.593 5.589 -23.344 206 HZ3 LYS 25 2HZ LYS 25 1.606 4.308 -23.812 207 H VAL 26 H VAL 26 3.792 6.295 -17.758 208 HA VAL 26 HA VAL 26 3.838 7.461 -15.200 209 HB VAL 26 HB VAL 26 4.719 8.773 -17.777 210 HG11 VAL 26 1HG1 VAL 26 4.568 10.294 -15.874 211 HG12 VAL 26 2HG1 VAL 26 6.251 10.021 -16.330 212 HG13 VAL 26 3HG1 VAL 26 5.576 9.208 -14.917 213 HG21 VAL 26 3HG2 VAL 26 5.738 6.565 -17.544 214 HG22 VAL 26 1HG2 VAL 26 6.281 6.981 -15.919 215 HG23 VAL 26 2HG2 VAL 26 6.931 7.845 -17.313 216 H GLY 27 H GLY 27 2.431 8.749 -14.252 217 HA2 GLY 27 1HA GLY 27 1.373 10.959 -14.325 218 HA3 GLY 27 2HA GLY 27 0.832 10.560 -15.949 219 H GLU 28 H GLU 28 0.315 7.730 -14.800 220 HA GLU 28 HA GLU 28 -2.441 8.252 -14.132 221 HB2 GLU 28 1HB GLU 28 -0.875 5.675 -14.322 222 HB3 GLU 28 2HB GLU 28 -2.595 5.758 -13.968 223 HG2 GLU 28 1HG GLU 28 -2.918 6.933 -16.136 224 HG3 GLU 28 2HG GLU 28 -1.218 6.633 -16.491 225 H THR 29 H THR 29 -3.494 7.549 -12.208 226 HA THR 29 HA THR 29 -1.703 7.078 -9.921 227 HB THR 29 HB THR 29 -4.199 8.793 -9.844 228 HG1 THR 29 HG1 THR 29 -1.881 9.454 -10.807 229 HG21 THR 29 3HG2 THR 29 -3.364 9.415 -7.602 230 HG22 THR 29 1HG2 THR 29 -2.066 8.233 -7.776 231 HG23 THR 29 2HG2 THR 29 -3.747 7.700 -7.722 232 H ALA 30 H ALA 30 -2.132 5.173 -9.046 233 HA ALA 30 HA ALA 30 -4.696 3.886 -9.601 234 HB1 ALA 30 3HB ALA 30 -3.603 1.836 -8.846 235 HB2 ALA 30 1HB ALA 30 -2.165 2.758 -8.409 236 HB3 ALA 30 2HB ALA 30 -2.656 2.638 -10.100 237 H GLU 31 H GLU 31 -6.270 4.106 -8.165 238 HA GLU 31 HA GLU 31 -5.639 4.642 -5.375 239 HB2 GLU 31 1HB GLU 31 -7.447 5.902 -6.508 240 HB3 GLU 31 2HB GLU 31 -8.331 4.399 -6.733 241 HG2 GLU 31 1HG GLU 31 -8.410 4.130 -4.275 242 HG3 GLU 31 2HG GLU 31 -7.636 5.704 -4.114 243 H ILE 32 H ILE 32 -4.942 2.857 -4.395 244 HA ILE 32 HA ILE 32 -6.304 0.303 -4.825 245 HB ILE 32 HB ILE 32 -3.866 0.876 -3.124 246 HG12 ILE 32 1HG1 ILE 32 -3.978 -0.202 -5.949 247 HG13 ILE 32 2HG1 ILE 32 -3.524 1.445 -5.528 248 HG21 ILE 32 1HG2 ILE 32 -3.476 -1.542 -3.315 249 HG22 ILE 32 2HG2 ILE 32 -4.990 -1.706 -4.205 250 HG23 ILE 32 3HG2 ILE 32 -5.010 -1.183 -2.521 251 HD11 ILE 32 3HD1 ILE 32 -1.574 0.062 -5.972 252 HD12 ILE 32 1HD1 ILE 32 -2.062 -1.052 -4.694 253 HD13 ILE 32 2HD1 ILE 32 -1.599 0.603 -4.293 254 H ARG 33 H ARG 33 -8.165 0.268 -3.666 255 HA ARG 33 HA ARG 33 -8.294 1.411 -1.027 256 HB2 ARG 33 1HB ARG 33 -10.316 -0.239 -2.551 257 HB3 ARG 33 2HB ARG 33 -10.624 0.610 -1.040 258 HG2 ARG 33 1HG ARG 33 -10.184 2.740 -2.119 259 HG3 ARG 33 2HG ARG 33 -9.802 1.912 -3.627 260 HD2 ARG 33 1HD ARG 33 -12.070 1.057 -3.755 261 HD3 ARG 33 2HD ARG 33 -12.465 1.833 -2.222 262 HE ARG 33 HE ARG 33 -11.467 3.732 -4.097 263 HH11 ARG 33 1HH1 ARG 33 -14.311 1.833 -3.365 264 HH12 ARG 33 2HH1 ARG 33 -15.416 2.983 -4.044 265 HH21 ARG 33 1HH2 ARG 33 -12.892 5.236 -5.009 266 HH22 ARG 33 2HH2 ARG 33 -14.604 4.931 -4.996 267 H CYS 34 H CYS 34 -7.690 0.444 0.741 268 HA CYS 34 HA CYS 34 -7.417 -2.490 0.753 269 HB2 CYS 34 1HB CYS 34 -5.245 -1.360 0.657 270 HB3 CYS 34 2HB CYS 34 -5.670 -0.387 2.060 271 HG CYS 34 HG CYS 34 -3.956 -2.110 3.166 272 H GLN 35 H GLN 35 -8.425 -3.541 2.363 273 HA GLN 35 HA GLN 35 -9.428 -1.939 4.618 274 HB2 GLN 35 1HB GLN 35 -10.858 -4.065 3.027 275 HB3 GLN 35 2HB GLN 35 -11.428 -3.492 4.591 276 HG2 GLN 35 1HG GLN 35 -11.616 -1.233 3.704 277 HG3 GLN 35 2HG GLN 35 -11.021 -1.791 2.141 278 HE21 GLN 35 2HE2 GLN 35 -13.541 -0.530 2.965 279 HE22 GLN 35 1HE2 GLN 35 -14.800 -1.593 2.418 280 H LEU 36 H LEU 36 -8.455 -2.543 6.384 281 HA LEU 36 HA LEU 36 -7.505 -5.286 6.704 282 HB2 LEU 36 1HB LEU 36 -6.010 -3.361 7.178 283 HB3 LEU 36 2HB LEU 36 -7.105 -2.840 8.441 284 HG LEU 36 HG LEU 36 -5.860 -5.567 8.590 285 HD11 LEU 36 1HD1 LEU 36 -3.981 -4.605 9.825 286 HD12 LEU 36 2HD1 LEU 36 -4.568 -2.982 9.462 287 HD13 LEU 36 3HD1 LEU 36 -4.010 -4.031 8.157 288 HD21 LEU 36 3HD2 LEU 36 -6.050 -5.133 11.008 289 HD22 LEU 36 1HD2 LEU 36 -7.610 -5.021 10.194 290 HD23 LEU 36 2HD2 LEU 36 -6.754 -3.552 10.661 291 H HIS 37 H HIS 37 -8.740 -6.730 7.721 292 HA HIS 37 HA HIS 37 -10.950 -5.737 9.397 293 HB2 HIS 37 1HB HIS 37 -10.634 -8.580 8.459 294 HB3 HIS 37 2HB HIS 37 -12.095 -7.764 8.996 295 HD1 HIS 37 HD1 HIS 37 -10.794 -9.112 6.104 296 HD2 HIS 37 HD2 HIS 37 -12.526 -5.427 6.947 297 HE1 HIS 37 HE1 HIS 37 -11.639 -8.244 3.902 298 HE2 HIS 37 HE2 HIS 37 -12.880 -6.127 4.475 299 H ARG 38 H ARG 38 -10.420 -5.666 11.516 300 HA ARG 38 HA ARG 38 -8.774 -7.796 12.629 301 HB2 ARG 38 1HB ARG 38 -9.321 -6.545 14.841 302 HB3 ARG 38 2HB ARG 38 -8.196 -5.829 13.699 303 HG2 ARG 38 1HG ARG 38 -9.993 -4.374 12.870 304 HG3 ARG 38 2HG ARG 38 -11.092 -5.082 14.060 305 HD2 ARG 38 1HD ARG 38 -9.924 -4.153 15.863 306 HD3 ARG 38 2HD ARG 38 -8.482 -3.857 14.893 307 HE ARG 38 HE ARG 38 -10.424 -2.301 13.744 308 HH11 ARG 38 1HH1 ARG 38 -9.085 -2.583 16.987 309 HH12 ARG 38 2HH1 ARG 38 -9.263 -0.888 17.338 310 HH21 ARG 38 1HH2 ARG 38 -10.644 -0.082 14.198 311 HH22 ARG 38 2HH2 ARG 38 -10.160 0.537 15.754 312 H ASP 39 H ASP 39 -9.552 -9.592 13.410 313 HA ASP 39 HA ASP 39 -12.227 -10.285 12.930 314 HB2 ASP 39 1HB ASP 39 -10.276 -11.855 12.894 315 HB3 ASP 39 2HB ASP 39 -10.259 -11.786 14.657 316 H GLY 40 H GLY 40 -10.616 -10.626 16.073 317 HA2 GLY 40 1HA GLY 40 -13.234 -10.306 17.333 318 HA3 GLY 40 2HA GLY 40 -11.804 -11.003 18.082 319 H ARG 41 H ARG 41 -11.538 -9.799 19.837 320 HA ARG 41 HA ARG 41 -11.987 -6.937 19.721 321 HB2 ARG 41 1HB ARG 41 -12.651 -8.521 21.655 322 HB3 ARG 41 2HB ARG 41 -10.956 -8.439 22.117 323 HG2 ARG 41 1HG ARG 41 -12.190 -6.840 23.407 324 HG3 ARG 41 2HG ARG 41 -11.162 -5.973 22.263 325 HD2 ARG 41 1HD ARG 41 -13.432 -5.018 22.409 326 HD3 ARG 41 2HD ARG 41 -13.046 -5.603 20.791 327 HE ARG 41 HE ARG 41 -14.483 -7.440 22.546 328 HH11 ARG 41 1HH1 ARG 41 -14.713 -5.039 19.983 329 HH12 ARG 41 2HH1 ARG 41 -16.203 -5.692 19.357 330 HH21 ARG 41 1HH2 ARG 41 -16.451 -8.252 21.729 331 HH22 ARG 41 2HH2 ARG 41 -17.189 -7.489 20.355 332 H PHE 42 H PHE 42 -10.187 -6.779 18.123 333 HA PHE 42 HA PHE 42 -7.551 -6.685 19.384 334 HB2 PHE 42 1HB PHE 42 -8.421 -6.205 16.523 335 HB3 PHE 42 2HB PHE 42 -6.763 -6.034 17.090 336 HD1 PHE 42 HD2 PHE 42 -5.572 -8.045 17.989 337 HD2 PHE 42 HD1 PHE 42 -9.305 -8.306 15.959 338 HE1 PHE 42 HE2 PHE 42 -5.189 -10.443 17.591 339 HE2 PHE 42 HE1 PHE 42 -8.926 -10.701 15.561 340 HZ PHE 42 HZ PHE 42 -6.866 -11.775 16.376 341 H GLU 43 H GLU 43 -7.366 -4.973 20.657 342 HA GLU 43 HA GLU 43 -8.836 -2.547 20.032 343 HB2 GLU 43 1HB GLU 43 -8.919 -3.601 22.278 344 HB3 GLU 43 2HB GLU 43 -7.207 -3.253 22.472 345 HG2 GLU 43 1HG GLU 43 -7.615 -0.903 22.471 346 HG3 GLU 43 2HG GLU 43 -9.307 -1.147 22.030 347 H GLU 44 H GLU 44 -5.613 -2.919 21.503 348 HA GLU 44 HA GLU 44 -4.823 -0.504 20.062 349 HB2 GLU 44 1HB GLU 44 -3.878 -1.843 22.565 350 HB3 GLU 44 2HB GLU 44 -2.826 -0.706 21.728 351 HG2 GLU 44 1HG GLU 44 -5.632 -0.053 22.586 352 HG3 GLU 44 2HG GLU 44 -4.205 0.271 23.569 353 H THR 45 H THR 45 -4.906 -3.016 18.662 354 HA THR 45 HA THR 45 -2.218 -3.852 18.198 355 HB THR 45 HB THR 45 -3.388 -4.618 15.939 356 HG1 THR 45 HG1 THR 45 -5.429 -4.066 15.907 357 HG21 THR 45 3HG2 THR 45 -2.570 -6.126 17.682 358 HG22 THR 45 1HG2 THR 45 -4.139 -6.657 17.077 359 HG23 THR 45 2HG2 THR 45 -4.027 -5.831 18.631 360 H LYS 46 H LYS 46 -0.785 -2.368 17.548 361 HA LYS 46 HA LYS 46 -1.623 -0.062 16.025 362 HB2 LYS 46 1HB LYS 46 1.166 -0.879 16.864 363 HB3 LYS 46 2HB LYS 46 0.667 0.708 16.301 364 HG2 LYS 46 1HG LYS 46 -0.206 -0.630 18.851 365 HG3 LYS 46 2HG LYS 46 0.950 0.696 18.708 366 HD2 LYS 46 1HD LYS 46 -0.867 2.086 17.721 367 HD3 LYS 46 2HD LYS 46 -1.992 0.763 18.037 368 HE2 LYS 46 1HE LYS 46 -1.521 0.907 20.419 369 HE3 LYS 46 2HE LYS 46 -0.350 2.189 20.124 370 HZ1 LYS 46 3HZ LYS 46 -3.295 2.295 19.836 371 HZ2 LYS 46 1HZ LYS 46 -2.281 3.452 19.109 372 HZ3 LYS 46 2HZ LYS 46 -2.290 3.265 20.794 373 H TYR 47 H TYR 47 -1.721 -0.013 13.890 374 HA TYR 47 HA TYR 47 -0.328 -2.086 12.370 375 HB2 TYR 47 1HB TYR 47 -2.437 -0.172 11.360 376 HB3 TYR 47 2HB TYR 47 -1.892 -1.664 10.602 377 HD1 TYR 47 HD2 TYR 47 -2.213 -3.825 12.155 378 HD2 TYR 47 HD1 TYR 47 -4.424 -0.205 12.499 379 HE1 TYR 47 HE2 TYR 47 -4.015 -5.040 13.305 380 HE2 TYR 47 HE1 TYR 47 -6.229 -1.408 13.653 381 HH TYR 47 HH TYR 47 -7.091 -3.643 13.880 382 H PHE 48 H PHE 48 1.474 -1.611 11.350 383 HA PHE 48 HA PHE 48 1.975 1.191 10.578 384 HB2 PHE 48 1HB PHE 48 3.956 -0.927 11.440 385 HB3 PHE 48 2HB PHE 48 4.405 0.641 10.782 386 HD1 PHE 48 HD1 PHE 48 3.768 2.711 12.044 387 HD2 PHE 48 HD2 PHE 48 3.420 -1.190 13.705 388 HE1 PHE 48 HE1 PHE 48 3.689 3.685 14.301 389 HE2 PHE 48 HE2 PHE 48 3.338 -0.225 15.966 390 HZ PHE 48 HZ PHE 48 3.471 2.217 16.265 391 H ILE 49 H ILE 49 2.557 1.605 8.528 392 HA ILE 49 HA ILE 49 2.706 -0.714 6.719 393 HB ILE 49 HB ILE 49 0.687 0.634 6.359 394 HG12 ILE 49 1HG1 ILE 49 2.722 0.923 4.135 395 HG13 ILE 49 2HG1 ILE 49 1.715 -0.489 4.432 396 HG21 ILE 49 1HG2 ILE 49 0.840 2.935 5.537 397 HG22 ILE 49 2HG2 ILE 49 2.586 2.899 5.770 398 HG23 ILE 49 3HG2 ILE 49 1.510 2.781 7.161 399 HD11 ILE 49 3HD1 ILE 49 0.882 0.875 2.583 400 HD12 ILE 49 1HD1 ILE 49 0.702 2.242 3.681 401 HD13 ILE 49 2HD1 ILE 49 -0.277 0.794 3.911 402 H ARG 50 H ARG 50 4.314 -0.857 5.272 403 HA ARG 50 HA ARG 50 5.839 1.455 4.454 404 HB2 ARG 50 1HB ARG 50 8.035 0.462 4.916 405 HB3 ARG 50 2HB ARG 50 7.148 0.740 6.406 406 HG2 ARG 50 1HG ARG 50 6.654 -1.586 6.629 407 HG3 ARG 50 2HG ARG 50 7.299 -1.932 5.022 408 HD2 ARG 50 1HD ARG 50 9.528 -1.359 5.738 409 HD3 ARG 50 2HD ARG 50 8.928 -0.806 7.300 410 HE ARG 50 HE ARG 50 8.474 -3.086 7.877 411 HH11 ARG 50 1HH1 ARG 50 10.383 -2.650 4.981 412 HH12 ARG 50 2HH1 ARG 50 11.006 -4.272 4.990 413 HH21 ARG 50 1HH2 ARG 50 9.284 -5.218 7.906 414 HH22 ARG 50 2HH2 ARG 50 10.360 -5.739 6.642 415 H TYR 51 H TYR 51 7.220 0.898 2.560 416 HA TYR 51 HA TYR 51 6.719 -1.728 1.413 417 HB2 TYR 51 1HB TYR 51 5.930 -0.871 -0.711 418 HB3 TYR 51 2HB TYR 51 4.867 -0.321 0.575 419 HD1 TYR 51 HD1 TYR 51 4.916 2.065 1.278 420 HD2 TYR 51 HD2 TYR 51 7.158 0.671 -2.057 421 HE1 TYR 51 HE1 TYR 51 5.152 4.376 0.477 422 HE2 TYR 51 HE2 TYR 51 7.406 2.980 -2.865 423 HH TYR 51 HH TYR 51 6.574 5.707 -0.942 424 H PHE 52 H PHE 52 8.067 -2.112 -0.520 425 HA PHE 52 HA PHE 52 10.315 -0.281 -0.830 426 HB2 PHE 52 1HB PHE 52 10.983 -1.902 0.935 427 HB3 PHE 52 2HB PHE 52 10.692 -3.220 -0.196 428 HD1 PHE 52 HD2 PHE 52 12.787 -0.243 0.435 429 HD2 PHE 52 HD1 PHE 52 12.330 -3.860 -1.765 430 HE1 PHE 52 HE2 PHE 52 15.097 -0.034 -0.386 431 HE2 PHE 52 HE1 PHE 52 14.641 -3.658 -2.583 432 HZ PHE 52 HZ PHE 52 16.023 -1.740 -1.895 433 H GLN 53 H GLN 53 10.826 -0.078 -2.909 434 HA GLN 53 HA GLN 53 9.893 -2.150 -4.761 435 HB2 GLN 53 1HB GLN 53 9.784 -0.462 -6.503 436 HB3 GLN 53 2HB GLN 53 8.835 0.047 -5.118 437 HG2 GLN 53 1HG GLN 53 11.606 1.041 -5.753 438 HG3 GLN 53 2HG GLN 53 10.117 1.867 -6.197 439 HE21 GLN 53 2HE2 GLN 53 12.371 2.673 -4.490 440 HE22 GLN 53 1HE2 GLN 53 11.663 3.105 -2.974 441 HA PRO 54 HA PRO 54 14.359 -2.814 -5.085 442 HB2 PRO 54 1HB PRO 54 14.102 -5.244 -6.301 443 HB3 PRO 54 2HB PRO 54 14.051 -5.019 -4.551 444 HG2 PRO 54 1HG PRO 54 11.801 -5.370 -6.485 445 HG3 PRO 54 2HG PRO 54 11.994 -6.035 -4.854 446 HD2 PRO 54 1HD PRO 54 10.423 -3.894 -5.406 447 HD3 PRO 54 2HD PRO 54 11.247 -4.108 -3.849 448 H ASP 55 H ASP 55 11.892 -3.302 -7.555 449 HA ASP 55 HA ASP 55 13.738 -2.220 -9.567 450 HB2 ASP 55 1HB ASP 55 11.959 -4.646 -9.843 451 HB3 ASP 55 2HB ASP 55 12.601 -3.778 -11.232 452 H GLY 56 H GLY 56 12.929 -0.438 -10.421 453 HA2 GLY 56 1HA GLY 56 11.157 0.532 -11.789 454 HA3 GLY 56 2HA GLY 56 10.001 -0.227 -10.705 455 H ALA 57 H ALA 57 9.514 2.302 -11.078 456 HA ALA 57 HA ALA 57 10.497 3.604 -8.632 457 HB1 ALA 57 3HB ALA 57 10.412 5.761 -9.789 458 HB2 ALA 57 1HB ALA 57 9.960 4.942 -11.285 459 HB3 ALA 57 2HB ALA 57 11.546 4.656 -10.566 460 H GLY 58 H GLY 58 8.865 5.841 -8.693 461 HA2 GLY 58 1HA GLY 58 6.406 6.203 -9.083 462 HA3 GLY 58 2HA GLY 58 6.202 4.589 -8.415 463 H THR 59 H THR 59 4.795 6.491 -7.222 464 HA THR 59 HA THR 59 6.134 6.719 -4.626 465 HB THR 59 HB THR 59 4.609 8.999 -5.912 466 HG1 THR 59 HG1 THR 59 7.241 8.273 -5.995 467 HG21 THR 59 3HG2 THR 59 6.103 8.845 -3.291 468 HG22 THR 59 1HG2 THR 59 4.352 8.940 -3.484 469 HG23 THR 59 2HG2 THR 59 5.367 10.296 -3.969 470 H LEU 60 H LEU 60 4.864 5.843 -3.104 471 HA LEU 60 HA LEU 60 2.014 5.493 -3.716 472 HB2 LEU 60 1HB LEU 60 3.367 3.481 -3.217 473 HB3 LEU 60 2HB LEU 60 3.723 4.133 -1.630 474 HG LEU 60 HG LEU 60 1.351 3.995 -1.028 475 HD11 LEU 60 1HD1 LEU 60 -0.212 2.818 -2.513 476 HD12 LEU 60 2HD1 LEU 60 1.024 2.789 -3.772 477 HD13 LEU 60 3HD1 LEU 60 0.365 4.328 -3.217 478 HD21 LEU 60 3HD2 LEU 60 2.784 2.111 -0.529 479 HD22 LEU 60 1HD2 LEU 60 2.507 1.445 -2.139 480 HD23 LEU 60 2HD2 LEU 60 1.177 1.544 -0.985 481 H LYS 61 H LYS 61 0.626 6.820 -2.809 482 HA LYS 61 HA LYS 61 1.363 8.180 -0.304 483 HB2 LYS 61 1HB LYS 61 -0.661 8.912 -2.421 484 HB3 LYS 61 2HB LYS 61 -0.429 9.795 -0.922 485 HG2 LYS 61 1HG LYS 61 1.789 10.439 -1.585 486 HG3 LYS 61 2HG LYS 61 1.683 9.435 -3.036 487 HD2 LYS 61 1HD LYS 61 -0.077 10.799 -3.928 488 HD3 LYS 61 2HD LYS 61 -0.199 11.708 -2.422 489 HE2 LYS 61 1HE LYS 61 2.036 12.616 -2.779 490 HE3 LYS 61 2HE LYS 61 2.189 11.678 -4.266 491 HZ1 LYS 61 3HZ LYS 61 1.550 13.989 -4.684 492 HZ2 LYS 61 1HZ LYS 61 0.131 13.770 -3.776 493 HZ3 LYS 61 2HZ LYS 61 0.360 12.904 -5.215 494 H MET 62 H MET 62 -0.412 8.621 1.191 495 HA MET 62 HA MET 62 -2.387 6.448 1.272 496 HB2 MET 62 1HB MET 62 -0.879 6.957 3.259 497 HB3 MET 62 2HB MET 62 -1.749 8.475 3.426 498 HG2 MET 62 1HG MET 62 -3.840 7.205 3.733 499 HG3 MET 62 2HG MET 62 -2.910 5.709 3.658 500 HE1 MET 62 3HE MET 62 -1.054 5.034 5.481 501 HE2 MET 62 1HE MET 62 -0.620 6.069 6.843 502 HE3 MET 62 2HE MET 62 -0.242 6.575 5.197 503 H SER 63 H SER 63 -4.627 7.099 1.964 504 HA SER 63 HA SER 63 -5.697 8.992 0.210 505 HB2 SER 63 1HB SER 63 -7.791 8.677 1.687 506 HB3 SER 63 2HB SER 63 -7.132 7.260 0.868 507 HG SER 63 HG SER 63 -7.137 7.926 3.586 508 H ASP 64 H ASP 64 -4.372 9.415 3.348 509 HA ASP 64 HA ASP 64 -5.750 11.859 3.956 510 HB2 ASP 64 1HB ASP 64 -4.864 10.362 5.719 511 HB3 ASP 64 2HB ASP 64 -3.227 10.701 5.165 512 H GLY 65 H GLY 65 -3.166 11.001 1.946 513 HA2 GLY 65 1HA GLY 65 -2.172 12.622 0.470 514 HA3 GLY 65 2HA GLY 65 -2.314 13.818 1.754 515 H THR 66 H THR 66 -1.414 11.217 3.359 516 HA THR 66 HA THR 66 1.232 12.027 3.836 517 HB THR 66 HB THR 66 0.165 9.258 4.367 518 HG1 THR 66 HG1 THR 66 -0.307 11.641 5.892 519 HG21 THR 66 3HG2 THR 66 2.514 9.660 4.922 520 HG22 THR 66 1HG2 THR 66 1.554 9.434 6.383 521 HG23 THR 66 2HG2 THR 66 2.055 11.054 5.898 522 H VAL 67 H VAL 67 2.956 11.758 2.553 523 HA VAL 67 HA VAL 67 2.986 9.714 0.496 524 HB VAL 67 HB VAL 67 5.136 11.688 1.309 525 HG11 VAL 67 1HG1 VAL 67 6.182 11.130 -0.834 526 HG12 VAL 67 2HG1 VAL 67 4.931 9.923 -1.131 527 HG13 VAL 67 3HG1 VAL 67 6.061 9.711 0.206 528 HG21 VAL 67 3HG2 VAL 67 3.145 12.796 0.451 529 HG22 VAL 67 1HG2 VAL 67 3.164 11.756 -0.975 530 HG23 VAL 67 2HG2 VAL 67 4.468 12.914 -0.709 531 H LEU 68 H LEU 68 3.663 7.720 0.842 532 HA LEU 68 HA LEU 68 4.955 7.093 3.369 533 HB2 LEU 68 1HB LEU 68 3.961 5.252 1.194 534 HB3 LEU 68 2HB LEU 68 4.453 4.779 2.810 535 HG LEU 68 HG LEU 68 2.083 6.543 2.177 536 HD11 LEU 68 1HD1 LEU 68 2.170 3.648 3.009 537 HD12 LEU 68 2HD1 LEU 68 1.756 4.247 1.403 538 HD13 LEU 68 3HD1 LEU 68 0.720 4.625 2.780 539 HD21 LEU 68 3HD2 LEU 68 3.074 7.001 4.363 540 HD22 LEU 68 1HD2 LEU 68 2.980 5.287 4.769 541 HD23 LEU 68 2HD2 LEU 68 1.503 6.218 4.524 542 H LEU 69 H LEU 69 6.961 6.182 3.569 543 HA LEU 69 HA LEU 69 8.593 6.152 1.126 544 HB2 LEU 69 1HB LEU 69 9.384 6.980 3.919 545 HB3 LEU 69 2HB LEU 69 10.501 6.818 2.578 546 HG LEU 69 HG LEU 69 8.219 8.790 2.744 547 HD11 LEU 69 1HD1 LEU 69 11.202 9.174 2.903 548 HD12 LEU 69 2HD1 LEU 69 10.053 9.355 4.230 549 HD13 LEU 69 3HD1 LEU 69 10.000 10.464 2.859 550 HD21 LEU 69 3HD2 LEU 69 9.156 9.728 0.684 551 HD22 LEU 69 1HD2 LEU 69 8.608 8.067 0.448 552 HD23 LEU 69 2HD2 LEU 69 10.329 8.411 0.620 553 HA PRO 70 HA PRO 70 9.727 1.979 2.058 554 HB2 PRO 70 1HB PRO 70 12.481 2.631 1.222 555 HB3 PRO 70 2HB PRO 70 11.339 1.482 0.522 556 HG2 PRO 70 1HG PRO 70 11.951 3.768 -0.726 557 HG3 PRO 70 2HG PRO 70 10.315 3.083 -0.787 558 HD2 PRO 70 1HD PRO 70 11.363 5.341 0.883 559 HD3 PRO 70 2HD PRO 70 9.815 5.202 0.022 560 H ASN 71 H ASN 71 10.965 0.703 3.456 561 HA ASN 71 HA ASN 71 12.275 0.117 5.209 562 HB2 ASN 71 1HB ASN 71 13.409 2.898 4.906 563 HB3 ASN 71 2HB ASN 71 13.960 1.762 6.132 564 HD21 ASN 71 2HD2 ASN 71 13.974 2.594 2.784 565 HD22 ASN 71 1HD2 ASN 71 15.146 1.423 2.277 566 H ASP 72 H ASP 72 11.232 3.506 5.742 567 HA ASP 72 HA ASP 72 10.957 3.022 8.559 568 HB2 ASP 72 1HB ASP 72 11.624 5.228 7.466 569 HB3 ASP 72 2HB ASP 72 9.919 5.434 7.077 570 H LEU 73 H LEU 73 8.928 3.604 9.736 571 HA LEU 73 HA LEU 73 6.658 2.305 8.378 572 HB2 LEU 73 1HB LEU 73 7.515 2.298 11.263 573 HB3 LEU 73 2HB LEU 73 5.913 1.795 10.761 574 HG LEU 73 HG LEU 73 8.486 0.502 9.858 575 HD11 LEU 73 1HD1 LEU 73 8.071 0.141 12.232 576 HD12 LEU 73 2HD1 LEU 73 7.809 -1.342 11.313 577 HD13 LEU 73 3HD1 LEU 73 6.430 -0.396 11.871 578 HD21 LEU 73 3HD2 LEU 73 7.023 -1.228 8.967 579 HD22 LEU 73 1HD2 LEU 73 6.663 0.332 8.230 580 HD23 LEU 73 2HD2 LEU 73 5.605 -0.315 9.487 581 H TYR 74 H TYR 74 4.724 3.277 8.329 582 HA TYR 74 HA TYR 74 4.314 5.621 10.060 583 HB2 TYR 74 1HB TYR 74 3.415 5.231 7.199 584 HB3 TYR 74 2HB TYR 74 2.812 6.513 8.245 585 HD1 TYR 74 HD2 TYR 74 4.649 8.013 9.351 586 HD2 TYR 74 HD1 TYR 74 5.278 5.657 5.866 587 HE1 TYR 74 HE2 TYR 74 6.567 9.428 8.750 588 HE2 TYR 74 HE1 TYR 74 7.205 7.065 5.258 589 HH TYR 74 HH TYR 74 8.652 9.211 7.422 590 HA PRO 75 HA PRO 75 0.958 3.208 11.594 591 HB2 PRO 75 1HB PRO 75 -0.207 5.642 12.693 592 HB3 PRO 75 2HB PRO 75 0.543 4.287 13.538 593 HG2 PRO 75 1HG PRO 75 1.672 6.752 13.397 594 HG3 PRO 75 2HG PRO 75 2.620 5.258 13.516 595 HD2 PRO 75 1HD PRO 75 2.024 6.942 11.115 596 HD3 PRO 75 2HD PRO 75 3.535 6.128 11.578 597 H LEU 76 H LEU 76 -1.007 2.607 10.929 598 HA LEU 76 HA LEU 76 -2.298 4.140 8.835 599 HB2 LEU 76 1HB LEU 76 -2.901 1.438 10.040 600 HB3 LEU 76 2HB LEU 76 -3.839 2.160 8.746 601 HG LEU 76 HG LEU 76 -0.901 1.493 8.553 602 HD11 LEU 76 1HD1 LEU 76 -1.626 -0.352 7.115 603 HD12 LEU 76 2HD1 LEU 76 -3.307 0.025 7.490 604 HD13 LEU 76 3HD1 LEU 76 -2.221 -0.530 8.765 605 HD21 LEU 76 3HD2 LEU 76 -1.227 1.887 6.164 606 HD22 LEU 76 1HD2 LEU 76 -1.604 3.330 7.105 607 HD23 LEU 76 2HD2 LEU 76 -2.907 2.332 6.462 608 HA PRO 77 HA PRO 77 -5.101 5.806 11.942 609 HB2 PRO 77 1HB PRO 77 -5.935 7.913 10.537 610 HB3 PRO 77 2HB PRO 77 -4.291 7.850 11.185 611 HG2 PRO 77 1HG PRO 77 -5.254 7.321 8.402 612 HG3 PRO 77 2HG PRO 77 -3.813 8.205 8.936 613 HD2 PRO 77 1HD PRO 77 -3.829 5.572 8.082 614 HD3 PRO 77 2HD PRO 77 -2.576 6.294 9.108 615 H GLY 78 H GLY 78 -5.712 4.040 9.283 616 HA2 GLY 78 1HA GLY 78 -8.579 4.050 9.782 617 HA3 GLY 78 2HA GLY 78 -8.059 4.415 8.142 618 H GLU 79 H GLU 79 -9.627 2.174 9.150 619 HA GLU 79 HA GLU 79 -7.859 -0.108 8.704 620 HB2 GLU 79 1HB GLU 79 -10.785 0.062 9.450 621 HB3 GLU 79 2HB GLU 79 -9.891 -1.441 9.250 622 HG2 GLU 79 1HG GLU 79 -8.561 -1.040 11.127 623 HG3 GLU 79 2HG GLU 79 -8.992 0.667 11.177 624 H THR 80 H THR 80 -10.625 1.548 7.300 625 HA THR 80 HA THR 80 -10.185 0.032 4.817 626 HB THR 80 HB THR 80 -12.453 -0.285 5.440 627 HG1 THR 80 HG1 THR 80 -12.467 1.879 3.583 628 HG21 THR 80 3HG2 THR 80 -13.999 1.537 5.984 629 HG22 THR 80 1HG2 THR 80 -12.681 2.700 5.836 630 HG23 THR 80 2HG2 THR 80 -12.646 1.485 7.113 631 H PHE 81 H PHE 81 -8.471 1.241 4.070 632 HA PHE 81 HA PHE 81 -8.978 4.110 3.649 633 HB2 PHE 81 1HB PHE 81 -6.528 4.451 3.895 634 HB3 PHE 81 2HB PHE 81 -7.295 3.846 5.358 635 HD1 PHE 81 HD2 PHE 81 -6.966 1.488 6.038 636 HD2 PHE 81 HD1 PHE 81 -4.857 3.203 2.768 637 HE1 PHE 81 HE2 PHE 81 -5.333 -0.348 6.133 638 HE2 PHE 81 HE1 PHE 81 -3.220 1.372 2.859 639 HZ PHE 81 HZ PHE 81 -3.456 -0.409 4.541 640 H ARG 82 H ARG 82 -7.282 4.977 1.985 641 HA ARG 82 HA ARG 82 -7.257 3.144 -0.321 642 HB2 ARG 82 1HB ARG 82 -7.914 6.097 -0.267 643 HB3 ARG 82 2HB ARG 82 -7.661 5.168 -1.737 644 HG2 ARG 82 1HG ARG 82 -9.601 3.869 -1.368 645 HG3 ARG 82 2HG ARG 82 -9.759 4.448 0.291 646 HD2 ARG 82 1HD ARG 82 -9.967 6.225 -2.134 647 HD3 ARG 82 2HD ARG 82 -11.355 5.472 -1.351 648 HE ARG 82 HE ARG 82 -10.104 6.761 0.686 649 HH11 ARG 82 1HH1 ARG 82 -11.284 7.757 -2.461 650 HH12 ARG 82 2HH1 ARG 82 -11.636 9.380 -1.960 651 HH21 ARG 82 1HH2 ARG 82 -10.551 8.913 1.345 652 HH22 ARG 82 2HH2 ARG 82 -11.203 10.040 0.195 653 H LEU 83 H LEU 83 -5.333 2.895 -1.251 654 HA LEU 83 HA LEU 83 -3.170 4.741 -0.516 655 HB2 LEU 83 1HB LEU 83 -3.114 1.971 -1.719 656 HB3 LEU 83 2HB LEU 83 -1.688 2.956 -1.459 657 HG LEU 83 HG LEU 83 -3.528 1.930 0.705 658 HD11 LEU 83 1HD1 LEU 83 -0.751 1.096 -0.114 659 HD12 LEU 83 2HD1 LEU 83 -2.227 0.145 -0.276 660 HD13 LEU 83 3HD1 LEU 83 -1.600 0.535 1.326 661 HD21 LEU 83 3HD2 LEU 83 -1.864 2.800 2.254 662 HD22 LEU 83 1HD2 LEU 83 -2.524 4.098 1.260 663 HD23 LEU 83 2HD2 LEU 83 -0.925 3.443 0.908 664 H TYR 84 H TYR 84 -2.373 6.118 -1.977 665 HA TYR 84 HA TYR 84 -3.409 5.896 -4.717 666 HB2 TYR 84 1HB TYR 84 -2.509 8.273 -3.099 667 HB3 TYR 84 2HB TYR 84 -2.728 8.356 -4.845 668 HD1 TYR 84 HD1 TYR 84 -4.941 8.208 -5.831 669 HD2 TYR 84 HD2 TYR 84 -4.416 8.082 -1.610 670 HE1 TYR 84 HE1 TYR 84 -7.343 8.626 -5.526 671 HE2 TYR 84 HE2 TYR 84 -6.820 8.501 -1.295 672 HH TYR 84 HH TYR 84 -9.072 8.243 -3.821 673 H TYR 85 H TYR 85 -1.930 4.639 -5.729 674 HA TYR 85 HA TYR 85 0.890 5.275 -5.520 675 HB2 TYR 85 1HB TYR 85 0.376 2.929 -5.726 676 HB3 TYR 85 2HB TYR 85 -0.588 3.215 -7.174 677 HD1 TYR 85 HD1 TYR 85 2.887 3.704 -5.895 678 HD2 TYR 85 HD2 TYR 85 0.395 2.886 -9.245 679 HE1 TYR 85 HE1 TYR 85 4.883 3.407 -7.293 680 HE2 TYR 85 HE2 TYR 85 2.387 2.581 -10.658 681 HH TYR 85 HH TYR 85 5.569 2.374 -9.358 682 H THR 86 H THR 86 1.754 6.855 -6.632 683 HA THR 86 HA THR 86 0.491 7.781 -9.090 684 HB THR 86 HB THR 86 2.967 8.886 -7.749 685 HG1 THR 86 HG1 THR 86 0.600 8.806 -6.715 686 HG21 THR 86 3HG2 THR 86 0.993 10.069 -9.710 687 HG22 THR 86 1HG2 THR 86 2.658 9.608 -10.061 688 HG23 THR 86 2HG2 THR 86 2.326 10.946 -8.958 689 H SER 87 H SER 87 1.001 6.732 -10.885 690 HA SER 87 HA SER 87 3.273 5.035 -11.093 691 HB2 SER 87 1HB SER 87 1.470 5.989 -13.325 692 HB3 SER 87 2HB SER 87 2.440 4.516 -13.287 693 HG SER 87 HG SER 87 0.071 4.413 -12.747 694 H ALA 88 H ALA 88 5.260 5.819 -11.280 695 HA ALA 88 HA ALA 88 5.700 8.174 -12.994 696 HB1 ALA 88 3HB ALA 88 7.405 7.134 -10.733 697 HB2 ALA 88 1HB ALA 88 6.320 8.524 -10.658 698 HB3 ALA 88 2HB ALA 88 7.738 8.566 -11.708 699 H SER 89 H SER 89 5.637 5.103 -13.444 700 HA SER 89 HA SER 89 8.020 5.072 -15.142 701 HB2 SER 89 1HB SER 89 7.137 2.751 -13.405 702 HB3 SER 89 2HB SER 89 8.488 2.742 -14.536 703 HG SER 89 HG SER 89 9.462 4.384 -13.253 704 H THR 90 H THR 90 7.857 3.604 -16.944 705 HA THR 90 HA THR 90 5.079 2.928 -17.641 706 HB THR 90 HB THR 90 7.406 3.130 -19.558 707 HG1 THR 90 HG1 THR 90 6.836 5.131 -18.312 708 HG21 THR 90 3HG2 THR 90 5.422 1.916 -20.345 709 HG22 THR 90 1HG2 THR 90 5.644 3.428 -21.225 710 HG23 THR 90 2HG2 THR 90 4.419 3.314 -19.963 711 H ASP 91 H ASP 91 8.121 1.695 -16.802 712 HA ASP 91 HA ASP 91 7.674 -0.901 -18.044 713 HB2 ASP 91 1HB ASP 91 9.945 -1.443 -17.240 714 HB3 ASP 91 2HB ASP 91 9.931 0.022 -18.213 715 H GLN 92 H GLN 92 8.653 -2.682 -16.345 716 HA GLN 92 HA GLN 92 6.451 -3.155 -14.666 717 HB2 GLN 92 1HB GLN 92 7.708 -4.968 -15.662 718 HB3 GLN 92 2HB GLN 92 9.159 -4.487 -14.799 719 HG2 GLN 92 1HG GLN 92 8.007 -5.004 -12.668 720 HG3 GLN 92 2HG GLN 92 6.635 -5.600 -13.602 721 HE21 GLN 92 2HE2 GLN 92 8.421 -6.985 -11.728 722 HE22 GLN 92 1HE2 GLN 92 9.109 -8.299 -12.613 723 H GLN 93 H GLN 93 6.025 -2.066 -12.853 724 HA GLN 93 HA GLN 93 8.222 -1.333 -11.057 725 HB2 GLN 93 1HB GLN 93 5.283 -0.689 -10.754 726 HB3 GLN 93 2HB GLN 93 6.610 -0.008 -9.828 727 HG2 GLN 93 1HG GLN 93 6.365 1.700 -11.248 728 HG3 GLN 93 2HG GLN 93 7.361 0.701 -12.305 729 HE21 GLN 93 2HE2 GLN 93 5.308 2.722 -12.890 730 HE22 GLN 93 1HE2 GLN 93 4.172 1.941 -13.928 731 H THR 94 H THR 94 8.800 -2.867 -9.662 732 HA THR 94 HA THR 94 6.732 -4.681 -8.633 733 HB THR 94 HB THR 94 9.735 -4.923 -8.334 734 HG1 THR 94 HG1 THR 94 8.309 -5.186 -10.519 735 HG21 THR 94 3HG2 THR 94 9.218 -7.282 -7.837 736 HG22 THR 94 1HG2 THR 94 7.496 -6.922 -7.947 737 HG23 THR 94 2HG2 THR 94 8.469 -6.189 -6.671 738 H VAL 95 H VAL 95 5.779 -3.873 -6.879 739 HA VAL 95 HA VAL 95 7.457 -2.508 -4.868 740 HB VAL 95 HB VAL 95 4.504 -2.082 -5.374 741 HG11 VAL 95 1HG1 VAL 95 4.763 -0.154 -3.877 742 HG12 VAL 95 2HG1 VAL 95 6.440 -0.615 -3.587 743 HG13 VAL 95 3HG1 VAL 95 5.133 -1.676 -3.065 744 HG21 VAL 95 3HG2 VAL 95 5.136 0.097 -6.287 745 HG22 VAL 95 1HG2 VAL 95 5.813 -1.227 -7.237 746 HG23 VAL 95 2HG2 VAL 95 6.839 -0.327 -6.119 747 H ASP 96 H ASP 96 7.684 -3.623 -3.051 748 HA ASP 96 HA ASP 96 5.676 -5.666 -2.391 749 HB2 ASP 96 1HB ASP 96 8.111 -6.308 -2.664 750 HB3 ASP 96 2HB ASP 96 8.453 -5.347 -1.232 751 H VAL 97 H VAL 97 4.194 -5.033 -0.953 752 HA VAL 97 HA VAL 97 4.847 -2.800 0.847 753 HB VAL 97 HB VAL 97 2.106 -3.863 0.140 754 HG11 VAL 97 1HG1 VAL 97 1.327 -1.703 1.020 755 HG12 VAL 97 2HG1 VAL 97 2.984 -1.303 1.470 756 HG13 VAL 97 3HG1 VAL 97 2.163 -2.656 2.246 757 HG21 VAL 97 3HG2 VAL 97 3.552 -1.475 -1.007 758 HG22 VAL 97 1HG2 VAL 97 1.899 -1.970 -1.375 759 HG23 VAL 97 2HG2 VAL 97 3.253 -2.995 -1.852 760 H TYR 98 H TYR 98 4.580 -2.942 3.034 761 HA TYR 98 HA TYR 98 3.973 -5.620 4.112 762 HB2 TYR 98 1HB TYR 98 5.932 -3.614 5.251 763 HB3 TYR 98 2HB TYR 98 5.642 -5.250 5.829 764 HD1 TYR 98 HD2 TYR 98 6.308 -7.188 4.371 765 HD2 TYR 98 HD1 TYR 98 7.475 -3.184 3.531 766 HE1 TYR 98 HE2 TYR 98 8.100 -8.020 2.909 767 HE2 TYR 98 HE1 TYR 98 9.267 -4.007 2.065 768 HH TYR 98 HH TYR 98 9.387 -7.085 0.886 769 H PHE 99 H PHE 99 2.210 -5.620 5.339 770 HA PHE 99 HA PHE 99 1.633 -3.239 6.983 771 HB2 PHE 99 1HB PHE 99 -0.217 -5.513 6.214 772 HB3 PHE 99 2HB PHE 99 -0.656 -4.118 7.189 773 HD1 PHE 99 HD1 PHE 99 -0.931 -1.928 6.170 774 HD2 PHE 99 HD2 PHE 99 -0.020 -5.362 3.830 775 HE1 PHE 99 HE1 PHE 99 -1.609 -0.716 4.140 776 HE2 PHE 99 HE2 PHE 99 -0.688 -4.157 1.793 777 HZ PHE 99 HZ PHE 99 -1.490 -1.832 1.947 778 H GLN 100 H GLN 100 2.355 -3.473 9.029 779 HA GLN 100 HA GLN 100 2.313 -6.194 10.166 780 HB2 GLN 100 1HB GLN 100 4.321 -5.628 11.454 781 HB3 GLN 100 2HB GLN 100 4.610 -5.520 9.725 782 HG2 GLN 100 1HG GLN 100 4.422 -3.101 9.824 783 HG3 GLN 100 2HG GLN 100 4.081 -3.189 11.553 784 HE21 GLN 100 2HE2 GLN 100 6.483 -3.584 9.086 785 HE22 GLN 100 1HE2 GLN 100 7.865 -3.557 10.131 786 H ASP 101 H ASP 101 2.102 -6.329 12.471 787 HA ASP 101 HA ASP 101 0.660 -4.030 13.625 788 HB2 ASP 101 1HB ASP 101 -1.027 -5.383 14.236 789 HB3 ASP 101 2HB ASP 101 -0.309 -6.608 13.195 790 H SER 102 H SER 102 0.684 -4.118 16.086 791 HA SER 102 HA SER 102 3.353 -3.804 16.921 792 HB2 SER 102 1HB SER 102 2.153 -3.582 19.227 793 HB3 SER 102 2HB SER 102 1.844 -2.383 17.969 794 HG SER 102 HG SER 102 0.215 -4.670 18.098 795 H PHE 103 H PHE 103 1.213 -6.558 17.088 796 HA PHE 103 HA PHE 103 2.695 -7.850 19.202 797 HB2 PHE 103 1HB PHE 103 0.305 -8.315 18.907 798 HB3 PHE 103 2HB PHE 103 0.615 -8.951 17.294 799 HD1 PHE 103 HD1 PHE 103 1.469 -9.505 20.875 800 HD2 PHE 103 HD2 PHE 103 1.026 -11.212 16.997 801 HE1 PHE 103 HE1 PHE 103 1.801 -11.749 21.829 802 HE2 PHE 103 HE2 PHE 103 1.360 -13.459 17.946 803 HZ PHE 103 HZ PHE 103 1.752 -13.727 20.363 804 H GLY 104 H GLY 104 2.853 -7.650 15.753 805 HA2 GLY 104 1HA GLY 104 5.131 -8.106 14.906 806 HA3 GLY 104 2HA GLY 104 5.073 -9.599 15.828 807 H GLN 105 H GLN 105 2.072 -8.895 14.440 808 HA GLN 105 HA GLN 105 2.344 -11.011 12.513 809 HB2 GLN 105 1HB GLN 105 0.108 -9.021 12.959 810 HB3 GLN 105 2HB GLN 105 0.024 -10.393 11.865 811 HG2 GLN 105 1HG GLN 105 0.400 -10.548 14.846 812 HG3 GLN 105 2HG GLN 105 -1.108 -10.831 13.979 813 HE21 GLN 105 2HE2 GLN 105 -1.308 -12.689 12.703 814 HE22 GLN 105 1HE2 GLN 105 -0.287 -14.069 12.936 815 H LEU 106 H LEU 106 2.386 -10.825 10.256 816 HA LEU 106 HA LEU 106 2.798 -8.138 9.173 817 HB2 LEU 106 1HB LEU 106 5.013 -8.883 9.845 818 HB3 LEU 106 2HB LEU 106 4.807 -10.380 8.959 819 HG LEU 106 HG LEU 106 4.786 -9.138 6.840 820 HD11 LEU 106 1HD1 LEU 106 3.831 -7.043 7.670 821 HD12 LEU 106 2HD1 LEU 106 5.331 -6.769 6.786 822 HD13 LEU 106 3HD1 LEU 106 5.325 -6.713 8.548 823 HD21 LEU 106 3HD2 LEU 106 7.135 -8.463 6.849 824 HD22 LEU 106 1HD2 LEU 106 6.898 -9.981 7.717 825 HD23 LEU 106 2HD2 LEU 106 7.134 -8.480 8.613 826 H GLN 107 H GLN 107 1.586 -7.934 7.469 827 HA GLN 107 HA GLN 107 1.156 -10.253 5.705 828 HB2 GLN 107 1HB GLN 107 -0.470 -7.723 6.055 829 HB3 GLN 107 2HB GLN 107 -0.805 -8.964 4.856 830 HG2 GLN 107 1HG GLN 107 -0.716 -9.570 7.791 831 HG3 GLN 107 2HG GLN 107 -2.178 -8.986 6.998 832 HE21 GLN 107 2HE2 GLN 107 -3.291 -10.893 7.439 833 HE22 GLN 107 1HE2 GLN 107 -2.953 -12.368 6.598 834 H GLN 108 H GLN 108 2.534 -10.204 4.062 835 HA GLN 108 HA GLN 108 3.373 -7.588 3.029 836 HB2 GLN 108 1HB GLN 108 5.324 -8.835 2.054 837 HB3 GLN 108 2HB GLN 108 5.275 -8.781 3.810 838 HG2 GLN 108 1HG GLN 108 4.292 -11.067 3.784 839 HG3 GLN 108 2HG GLN 108 4.550 -11.099 2.039 840 HE21 GLN 108 2HE2 GLN 108 6.062 -11.134 5.160 841 HE22 GLN 108 1HE2 GLN 108 7.626 -11.630 4.626 842 H LEU 109 H LEU 109 2.618 -6.962 1.177 843 HA LEU 109 HA LEU 109 1.518 -8.973 -0.681 844 HB2 LEU 109 1HB LEU 109 0.615 -6.126 -0.226 845 HB3 LEU 109 2HB LEU 109 -0.084 -7.246 -1.376 846 HG LEU 109 HG LEU 109 -0.112 -7.653 1.617 847 HD11 LEU 109 1HD1 LEU 109 -1.441 -5.715 1.027 848 HD12 LEU 109 2HD1 LEU 109 -2.492 -7.060 1.471 849 HD13 LEU 109 3HD1 LEU 109 -2.269 -6.636 -0.226 850 HD21 LEU 109 3HD2 LEU 109 -1.528 -9.084 -0.631 851 HD22 LEU 109 1HD2 LEU 109 -1.795 -9.368 1.090 852 HD23 LEU 109 2HD2 LEU 109 -0.227 -9.733 0.368 853 H THR 110 H THR 110 2.862 -9.172 -2.346 854 HA THR 110 HA THR 110 4.486 -6.912 -3.204 855 HB THR 110 HB THR 110 4.542 -9.713 -4.324 856 HG1 THR 110 HG1 THR 110 5.740 -8.643 -1.963 857 HG21 THR 110 3HG2 THR 110 5.745 -7.998 -5.598 858 HG22 THR 110 1HG2 THR 110 6.864 -9.143 -4.858 859 HG23 THR 110 2HG2 THR 110 6.640 -7.545 -4.147 860 H PHE 111 H PHE 111 3.774 -5.618 -4.775 861 HA PHE 111 HA PHE 111 1.838 -6.693 -6.723 862 HB2 PHE 111 1HB PHE 111 2.298 -3.816 -5.897 863 HB3 PHE 111 2HB PHE 111 1.084 -4.378 -7.040 864 HD1 PHE 111 HD1 PHE 111 -0.628 -6.105 -6.109 865 HD2 PHE 111 HD2 PHE 111 1.739 -3.522 -3.692 866 HE1 PHE 111 HE1 PHE 111 -2.242 -6.359 -4.269 867 HE2 PHE 111 HE2 PHE 111 0.131 -3.777 -1.844 868 HZ PHE 111 HZ PHE 111 -1.861 -5.195 -2.133 869 H SER 112 H SER 112 2.548 -6.936 -8.744 870 HA SER 112 HA SER 112 4.820 -5.288 -9.628 871 HB2 SER 112 1HB SER 112 5.180 -7.754 -9.683 872 HB3 SER 112 2HB SER 112 3.832 -7.897 -10.809 873 HG SER 112 HG SER 112 4.985 -6.816 -12.346 874 H PHE 113 H PHE 113 4.186 -3.597 -10.773 875 HA PHE 113 HA PHE 113 1.645 -3.683 -12.204 876 HB2 PHE 113 1HB PHE 113 3.557 -1.384 -11.747 877 HB3 PHE 113 2HB PHE 113 1.976 -1.260 -12.510 878 HD1 PHE 113 HD2 PHE 113 -0.059 -1.892 -11.126 879 HD2 PHE 113 HD1 PHE 113 3.785 -1.200 -9.443 880 HE1 PHE 113 HE2 PHE 113 -1.095 -1.515 -8.928 881 HE2 PHE 113 HE1 PHE 113 2.756 -0.821 -7.240 882 HZ PHE 113 HZ PHE 113 0.312 -0.978 -6.984 883 H ASN 114 H ASN 114 1.464 -3.093 -14.405 884 HA ASN 114 HA ASN 114 1.928 -3.352 -16.597 885 HB2 ASN 114 1HB ASN 114 4.660 -2.436 -15.701 886 HB3 ASN 114 2HB ASN 114 4.270 -2.766 -17.387 887 HD21 ASN 114 2HD2 ASN 114 3.998 -0.555 -14.784 888 HD22 ASN 114 1HD2 ASN 114 3.155 0.688 -15.653 889 H ASN 115 H ASN 115 1.597 -5.604 -15.484 890 HA ASN 115 HA ASN 115 1.892 -7.840 -15.698 891 HB2 ASN 115 1HB ASN 115 4.116 -7.013 -17.565 892 HB3 ASN 115 2HB ASN 115 3.768 -8.697 -17.193 893 HD21 ASN 115 2HD2 ASN 115 0.940 -8.476 -17.074 894 HD22 ASN 115 1HD2 ASN 115 0.374 -8.180 -18.686 895 H ASP 116 H ASP 116 3.843 -9.559 -15.422 896 HA ASP 116 HA ASP 116 5.673 -8.523 -13.391 897 HB2 ASP 116 1HB ASP 116 5.153 -10.251 -11.816 898 HB3 ASP 116 2HB ASP 116 3.636 -9.485 -12.269 899 H SER 117 H SER 117 7.582 -9.652 -13.192 900 HA SER 117 HA SER 117 7.982 -11.884 -15.061 901 HB2 SER 117 1HB SER 117 9.972 -9.689 -14.412 902 HB3 SER 117 2HB SER 117 10.293 -11.094 -15.428 903 HG SER 117 HG SER 117 8.751 -8.818 -15.944 904 H SER 118 H SER 118 8.125 -13.624 -13.821 905 HA SER 118 HA SER 118 10.193 -13.700 -11.782 906 HB2 SER 118 1HB SER 118 7.378 -14.636 -11.174 907 HB3 SER 118 2HB SER 118 8.762 -14.668 -10.081 908 HG SER 118 HG SER 118 8.529 -12.186 -10.939 909 H LYS 119 H LYS 119 11.185 -14.944 -13.453 910 HA LYS 119 HA LYS 119 10.204 -17.725 -13.504 911 HB2 LYS 119 1HB LYS 119 10.910 -17.920 -15.848 912 HB3 LYS 119 2HB LYS 119 9.677 -16.681 -15.665 913 HG2 LYS 119 1HG LYS 119 11.482 -14.974 -15.668 914 HG3 LYS 119 2HG LYS 119 12.636 -16.261 -16.023 915 HD2 LYS 119 1HD LYS 119 10.240 -15.590 -17.730 916 HD3 LYS 119 2HD LYS 119 11.874 -15.000 -18.033 917 HE2 LYS 119 1HE LYS 119 11.096 -17.913 -17.913 918 HE3 LYS 119 2HE LYS 119 11.257 -16.980 -19.399 919 HZ1 LYS 119 3HZ LYS 119 13.272 -18.144 -19.089 920 HZ2 LYS 119 1HZ LYS 119 13.391 -17.682 -17.465 921 HZ3 LYS 119 2HZ LYS 119 13.604 -16.532 -18.690 922 H GLU 120 H GLU 120 12.294 -16.025 -12.087 923 HA GLU 120 HA GLU 120 14.438 -16.115 -11.390 924 HB2 GLU 120 1HB GLU 120 14.159 -18.951 -12.376 925 HB3 GLU 120 2HB GLU 120 15.594 -18.360 -11.550 926 HG2 GLU 120 1HG GLU 120 12.813 -18.335 -10.399 927 HG3 GLU 120 2HG GLU 120 14.032 -19.566 -10.073 928 H GLU 121 H GLU 121 14.021 -14.879 -13.742 929 HA GLU 121 HA GLU 121 15.704 -15.673 -15.851 930 HB2 GLU 121 1HB GLU 121 15.663 -13.134 -16.375 931 HB3 GLU 121 2HB GLU 121 14.165 -14.046 -16.461 932 HG2 GLU 121 1HG GLU 121 14.885 -12.640 -13.931 933 HG3 GLU 121 2HG GLU 121 14.241 -11.722 -15.292 934 H GLU 122 H GLU 122 16.329 -14.088 -12.842 935 HA GLU 122 HA GLU 122 18.218 -13.495 -11.757 936 HB2 GLU 122 1HB GLU 122 18.660 -15.934 -12.398 937 HB3 GLU 122 2HB GLU 122 19.713 -15.297 -13.652 938 HG2 GLU 122 1HG GLU 122 20.989 -15.932 -11.696 939 HG3 GLU 122 2HG GLU 122 21.073 -14.190 -11.956 940 H LEU 123 H LEU 123 18.158 -11.334 -12.479 941 HA LEU 123 HA LEU 123 19.704 -10.623 -14.843 942 HB2 LEU 123 1HB LEU 123 18.135 -8.882 -12.933 943 HB3 LEU 123 2HB LEU 123 18.874 -8.347 -14.430 944 HG LEU 123 HG LEU 123 16.638 -10.371 -14.223 945 HD11 LEU 123 1HD1 LEU 123 15.255 -8.592 -15.211 946 HD12 LEU 123 2HD1 LEU 123 16.612 -7.476 -15.065 947 HD13 LEU 123 3HD1 LEU 123 15.870 -8.154 -13.616 948 HD21 LEU 123 3HD2 LEU 123 17.912 -9.065 -16.628 949 HD22 LEU 123 1HD2 LEU 123 16.499 -10.120 -16.656 950 HD23 LEU 123 2HD2 LEU 123 18.066 -10.757 -16.158 951 H GLU 124 H GLU 124 21.840 -10.736 -14.457 952 HA GLU 124 HA GLU 124 22.907 -10.038 -11.854 953 HB2 GLU 124 1HB GLU 124 23.652 -12.034 -13.220 954 HB3 GLU 124 2HB GLU 124 24.436 -10.901 -14.312 955 HG2 GLU 124 1HG GLU 124 25.796 -10.082 -12.416 956 HG3 GLU 124 2HG GLU 124 25.063 -11.322 -11.401 957 H HIS 125 H HIS 125 22.476 -8.515 -14.894 958 HA HIS 125 HA HIS 125 23.057 -6.481 -15.747 959 HB2 HIS 125 1HB HIS 125 23.738 -6.080 -12.864 960 HB3 HIS 125 2HB HIS 125 24.338 -4.910 -14.032 961 HD1 HIS 125 HD1 HIS 125 22.890 -2.933 -13.993 962 HD2 HIS 125 HD2 HIS 125 20.699 -6.442 -13.564 963 HE1 HIS 125 HE1 HIS 125 20.484 -2.216 -13.847 964 HE2 HIS 125 HE2 HIS 125 19.185 -4.340 -13.455 965 H HIS 126 H HIS 126 25.031 -8.848 -15.138 966 HA HIS 126 HA HIS 126 27.394 -7.551 -16.261 967 HB2 HIS 126 1HB HIS 126 27.992 -7.513 -13.974 968 HB3 HIS 126 2HB HIS 126 27.265 -9.084 -13.665 969 HD1 HIS 126 HD1 HIS 126 28.749 -11.090 -13.815 970 HD2 HIS 126 HD2 HIS 126 30.523 -7.664 -15.379 971 HE1 HIS 126 HE1 HIS 126 31.138 -11.720 -14.304 972 HE2 HIS 126 HE2 HIS 126 32.239 -9.572 -15.030 973 H HIS 127 H HIS 127 28.332 -8.764 -17.797 974 HA HIS 127 HA HIS 127 28.782 -10.471 -19.215 975 HB2 HIS 127 1HB HIS 127 29.756 -11.590 -17.318 976 HB3 HIS 127 2HB HIS 127 28.179 -12.124 -16.759 977 HD1 HIS 127 HD1 HIS 127 27.853 -14.519 -17.163 978 HD2 HIS 127 HD2 HIS 127 30.159 -12.758 -20.143 979 HE1 HIS 127 HE1 HIS 127 28.406 -16.368 -18.777 980 HE2 HIS 127 HE2 HIS 127 29.643 -15.243 -20.659 981 H HIS 128 H HIS 128 27.059 -9.968 -20.574 982 HA HIS 128 HA HIS 128 24.995 -12.044 -20.650 983 HB2 HIS 128 1HB HIS 128 24.071 -9.953 -19.552 984 HB3 HIS 128 2HB HIS 128 24.364 -9.110 -21.067 985 HD1 HIS 128 HD1 HIS 128 22.530 -9.194 -22.769 986 HD2 HIS 128 HD2 HIS 128 22.104 -12.098 -19.815 987 HE1 HIS 128 HE1 HIS 128 20.294 -10.264 -23.182 988 HE2 HIS 128 HE2 HIS 128 20.140 -12.139 -21.499 989 H HIS 129 H HIS 129 24.213 -12.453 -22.793 990 HA HIS 129 HA HIS 129 26.186 -11.927 -24.814 991 HB2 HIS 129 1HB HIS 129 24.889 -14.074 -24.621 992 HB3 HIS 129 2HB HIS 129 23.466 -13.199 -25.177 993 HD1 HIS 129 HD1 HIS 129 23.337 -12.614 -27.696 994 HD2 HIS 129 HD2 HIS 129 26.838 -14.568 -26.578 995 HE1 HIS 129 HE1 HIS 129 24.462 -13.280 -29.842 996 HE2 HIS 129 HE2 HIS 129 26.444 -14.664 -29.131 997 H HIS 130 H HIS 130 26.196 -10.408 -26.327 998 HA HIS 130 HA HIS 130 23.718 -9.054 -27.046 999 HB2 HIS 130 1HB HIS 130 25.027 -6.827 -26.981 1000 HB3 HIS 130 2HB HIS 130 24.422 -7.474 -25.462 1001 HD1 HIS 130 HD1 HIS 130 26.086 -7.729 -23.623 1002 HD2 HIS 130 HD2 HIS 130 27.913 -7.307 -27.340 1003 HE1 HIS 130 HE1 HIS 130 28.548 -7.537 -23.157 1004 HE2 HIS 130 HE2 HIS 130 29.643 -7.498 -25.422 Start of MODEL 15 1 H1 MET 1 1H MET 1 -3.665 -11.003 33.882 2 H2 MET 1 2H MET 1 -2.580 -11.370 32.627 3 H3 MET 1 3H MET 1 -3.253 -12.618 33.563 4 HA MET 1 HA MET 1 -4.773 -10.811 31.778 5 HB2 MET 1 1HB MET 1 -3.153 -12.830 30.973 6 HB3 MET 1 2HB MET 1 -4.627 -13.733 31.295 7 HG2 MET 1 1HG MET 1 -4.493 -13.073 28.968 8 HG3 MET 1 2HG MET 1 -5.858 -12.295 29.768 9 HE1 MET 1 3HE MET 1 -4.541 -9.681 27.074 10 HE2 MET 1 1HE MET 1 -5.936 -10.630 27.594 11 HE3 MET 1 2HE MET 1 -4.512 -11.439 26.938 12 H ASN 2 H ASN 2 -7.037 -11.323 31.669 13 HA ASN 2 HA ASN 2 -8.090 -11.865 34.253 14 HB2 ASN 2 1HB ASN 2 -9.127 -10.306 32.597 15 HB3 ASN 2 2HB ASN 2 -9.607 -11.703 31.640 16 HD21 ASN 2 2HD2 ASN 2 -11.293 -13.010 32.361 17 HD22 ASN 2 1HD2 ASN 2 -12.345 -12.536 33.647 18 H ASP 3 H ASP 3 -8.858 -13.545 31.204 19 HA ASP 3 HA ASP 3 -8.809 -16.105 32.633 20 HB2 ASP 3 1HB ASP 3 -11.148 -15.366 32.721 21 HB3 ASP 3 2HB ASP 3 -11.156 -15.137 30.976 22 H ASP 4 H ASP 4 -8.769 -14.253 29.722 23 HA ASP 4 HA ASP 4 -8.261 -16.446 27.950 24 HB2 ASP 4 1HB ASP 4 -7.766 -14.571 26.324 25 HB3 ASP 4 2HB ASP 4 -9.379 -14.551 27.027 26 H VAL 5 H VAL 5 -6.514 -16.961 29.763 27 HA VAL 5 HA VAL 5 -3.951 -15.775 28.953 28 HB VAL 5 HB VAL 5 -4.364 -15.673 31.347 29 HG11 VAL 5 1HG1 VAL 5 -4.610 -18.675 31.233 30 HG12 VAL 5 2HG1 VAL 5 -5.888 -17.524 31.626 31 HG13 VAL 5 3HG1 VAL 5 -4.511 -17.719 32.712 32 HG21 VAL 5 3HG2 VAL 5 -2.248 -17.705 30.651 33 HG22 VAL 5 1HG2 VAL 5 -2.335 -16.794 32.158 34 HG23 VAL 5 2HG2 VAL 5 -2.065 -15.951 30.633 35 H ASP 6 H ASP 6 -5.702 -18.814 29.235 36 HA ASP 6 HA ASP 6 -3.465 -20.338 28.184 37 HB2 ASP 6 1HB ASP 6 -4.953 -22.284 28.408 38 HB3 ASP 6 2HB ASP 6 -4.875 -21.362 29.904 39 H ILE 7 H ILE 7 -6.216 -18.675 27.043 40 HA ILE 7 HA ILE 7 -5.760 -19.784 24.356 41 HB ILE 7 HB ILE 7 -8.062 -18.998 23.790 42 HG12 ILE 7 1HG1 ILE 7 -8.364 -18.715 26.788 43 HG13 ILE 7 2HG1 ILE 7 -8.281 -17.373 25.653 44 HG21 ILE 7 1HG2 ILE 7 -7.628 -21.337 24.244 45 HG22 ILE 7 2HG2 ILE 7 -9.215 -20.881 24.862 46 HG23 ILE 7 3HG2 ILE 7 -7.858 -21.067 25.972 47 HD11 ILE 7 3HD1 ILE 7 -10.567 -17.814 26.297 48 HD12 ILE 7 1HD1 ILE 7 -10.421 -19.486 25.756 49 HD13 ILE 7 2HD1 ILE 7 -10.337 -18.171 24.585 50 H GLN 8 H GLN 8 -5.354 -18.369 22.713 51 HA GLN 8 HA GLN 8 -4.960 -15.565 23.511 52 HB2 GLN 8 1HB GLN 8 -3.942 -16.882 20.987 53 HB3 GLN 8 2HB GLN 8 -3.391 -15.380 21.718 54 HG2 GLN 8 1HG GLN 8 -2.995 -18.162 22.796 55 HG3 GLN 8 2HG GLN 8 -1.768 -17.125 22.074 56 HE21 GLN 8 2HE2 GLN 8 -1.931 -18.379 24.720 57 HE22 GLN 8 1HE2 GLN 8 -1.778 -17.086 25.863 58 H GLN 9 H GLN 9 -6.335 -17.647 21.039 59 HA GLN 9 HA GLN 9 -8.094 -17.446 19.627 60 HB2 GLN 9 1HB GLN 9 -9.091 -16.933 21.942 61 HB3 GLN 9 2HB GLN 9 -9.113 -15.255 21.423 62 HG2 GLN 9 1HG GLN 9 -10.570 -15.827 19.565 63 HG3 GLN 9 2HG GLN 9 -10.515 -17.528 20.027 64 HE21 GLN 9 2HE2 GLN 9 -12.720 -17.656 20.349 65 HE22 GLN 9 1HE2 GLN 9 -13.519 -16.898 21.681 66 H SER 10 H SER 10 -5.737 -15.644 19.259 67 HA SER 10 HA SER 10 -7.041 -13.417 17.855 68 HB2 SER 10 1HB SER 10 -4.175 -13.631 18.803 69 HB3 SER 10 2HB SER 10 -4.919 -12.220 18.050 70 HG SER 10 HG SER 10 -5.964 -13.382 20.414 71 H TYR 11 H TYR 11 -7.309 -13.879 15.797 72 HA TYR 11 HA TYR 11 -5.364 -15.534 14.393 73 HB2 TYR 11 1HB TYR 11 -8.159 -14.612 13.747 74 HB3 TYR 11 2HB TYR 11 -7.120 -15.331 12.519 75 HD1 TYR 11 HD1 TYR 11 -8.847 -15.966 15.725 76 HD2 TYR 11 HD2 TYR 11 -6.727 -17.662 12.452 77 HE1 TYR 11 HE1 TYR 11 -9.513 -18.214 16.469 78 HE2 TYR 11 HE2 TYR 11 -7.383 -19.915 13.184 79 HH TYR 11 HH TYR 11 -8.170 -21.097 15.019 80 HA PRO 12 HA PRO 12 -3.281 -12.292 12.266 81 HB2 PRO 12 1HB PRO 12 -3.743 -13.789 9.746 82 HB3 PRO 12 2HB PRO 12 -2.226 -13.260 10.478 83 HG2 PRO 12 1HG PRO 12 -2.954 -15.826 10.533 84 HG3 PRO 12 2HG PRO 12 -2.128 -15.073 11.911 85 HD2 PRO 12 1HD PRO 12 -5.017 -15.751 11.566 86 HD3 PRO 12 2HD PRO 12 -3.996 -15.866 13.014 87 H PHE 13 H PHE 13 -3.698 -10.449 11.093 88 HA PHE 13 HA PHE 13 -6.456 -10.013 10.345 89 HB2 PHE 13 1HB PHE 13 -5.846 -7.688 10.065 90 HB3 PHE 13 2HB PHE 13 -5.131 -8.275 11.561 91 HD1 PHE 13 HD1 PHE 13 -2.673 -8.939 11.519 92 HD2 PHE 13 HD2 PHE 13 -4.535 -6.702 8.422 93 HE1 PHE 13 HE1 PHE 13 -0.466 -8.154 10.764 94 HE2 PHE 13 HE2 PHE 13 -2.334 -5.914 7.658 95 HZ PHE 13 HZ PHE 13 -0.296 -6.642 8.830 96 H SER 14 H SER 14 -7.197 -9.579 8.274 97 HA SER 14 HA SER 14 -5.296 -10.222 6.121 98 HB2 SER 14 1HB SER 14 -7.082 -11.963 6.621 99 HB3 SER 14 2HB SER 14 -8.267 -10.786 6.060 100 HG SER 14 HG SER 14 -7.364 -10.845 4.022 101 H ILE 15 H ILE 15 -5.007 -8.658 4.674 102 HA ILE 15 HA ILE 15 -7.056 -6.550 4.492 103 HB ILE 15 HB ILE 15 -4.120 -6.396 3.774 104 HG12 ILE 15 1HG1 ILE 15 -5.697 -5.160 6.044 105 HG13 ILE 15 2HG1 ILE 15 -4.502 -6.443 6.193 106 HG21 ILE 15 1HG2 ILE 15 -5.435 -4.999 2.301 107 HG22 ILE 15 2HG2 ILE 15 -4.563 -3.986 3.453 108 HG23 ILE 15 3HG2 ILE 15 -6.286 -4.295 3.677 109 HD11 ILE 15 3HD1 ILE 15 -3.972 -3.622 5.298 110 HD12 ILE 15 1HD1 ILE 15 -2.767 -4.903 5.426 111 HD13 ILE 15 2HD1 ILE 15 -3.584 -4.313 6.873 112 H GLU 16 H GLU 16 -8.345 -6.926 2.838 113 HA GLU 16 HA GLU 16 -7.283 -8.099 0.398 114 HB2 GLU 16 1HB GLU 16 -10.058 -7.567 1.403 115 HB3 GLU 16 2HB GLU 16 -9.779 -7.828 -0.313 116 HG2 GLU 16 1HG GLU 16 -10.404 -9.910 0.595 117 HG3 GLU 16 2HG GLU 16 -8.671 -9.992 0.290 118 H THR 17 H THR 17 -7.107 -7.047 -1.507 119 HA THR 17 HA THR 17 -7.345 -4.121 -1.335 120 HB THR 17 HB THR 17 -5.581 -4.146 -3.165 121 HG1 THR 17 HG1 THR 17 -4.324 -6.319 -2.813 122 HG21 THR 17 3HG2 THR 17 -3.728 -4.538 -1.587 123 HG22 THR 17 1HG2 THR 17 -4.854 -5.306 -0.470 124 HG23 THR 17 2HG2 THR 17 -5.024 -3.595 -0.855 125 H MET 18 H MET 18 -8.467 -3.034 -2.851 126 HA MET 18 HA MET 18 -10.229 -4.459 -4.573 127 HB2 MET 18 1HB MET 18 -9.578 -1.517 -4.344 128 HB3 MET 18 2HB MET 18 -10.818 -2.156 -5.415 129 HG2 MET 18 1HG MET 18 -10.780 -2.481 -2.421 130 HG3 MET 18 2HG MET 18 -11.724 -1.286 -3.307 131 HE1 MET 18 3HE MET 18 -14.426 -3.839 -2.037 132 HE2 MET 18 1HE MET 18 -13.917 -2.150 -2.051 133 HE3 MET 18 2HE MET 18 -12.955 -3.353 -1.192 134 HA PRO 19 HA PRO 19 -7.956 -5.297 -8.216 135 HB2 PRO 19 1HB PRO 19 -10.253 -3.940 -9.576 136 HB3 PRO 19 2HB PRO 19 -9.479 -5.485 -9.950 137 HG2 PRO 19 1HG PRO 19 -11.792 -5.440 -8.657 138 HG3 PRO 19 2HG PRO 19 -10.520 -6.584 -8.183 139 HD2 PRO 19 1HD PRO 19 -11.417 -4.080 -6.841 140 HD3 PRO 19 2HD PRO 19 -10.796 -5.583 -6.131 141 H VAL 20 H VAL 20 -6.208 -4.174 -8.682 142 HA VAL 20 HA VAL 20 -6.339 -1.312 -9.207 143 HB VAL 20 HB VAL 20 -3.886 -1.394 -9.234 144 HG11 VAL 20 1HG1 VAL 20 -5.082 -2.853 -6.882 145 HG12 VAL 20 2HG1 VAL 20 -5.002 -1.103 -7.095 146 HG13 VAL 20 3HG1 VAL 20 -3.518 -2.037 -6.897 147 HG21 VAL 20 3HG2 VAL 20 -3.602 -3.617 -10.229 148 HG22 VAL 20 1HG2 VAL 20 -4.191 -4.358 -8.740 149 HG23 VAL 20 2HG2 VAL 20 -2.676 -3.455 -8.737 150 HA PRO 21 HA PRO 21 -6.133 -1.766 -13.628 151 HB2 PRO 21 1HB PRO 21 -4.190 0.444 -13.724 152 HB3 PRO 21 2HB PRO 21 -5.818 0.353 -14.403 153 HG2 PRO 21 1HG PRO 21 -5.248 1.897 -12.276 154 HG3 PRO 21 2HG PRO 21 -6.814 1.086 -12.456 155 HD2 PRO 21 1HD PRO 21 -4.468 0.329 -10.760 156 HD3 PRO 21 2HD PRO 21 -6.202 0.254 -10.381 157 H LYS 22 H LYS 22 -5.008 -3.226 -14.716 158 HA LYS 22 HA LYS 22 -2.472 -4.134 -13.804 159 HB2 LYS 22 1HB LYS 22 -3.893 -4.848 -16.372 160 HB3 LYS 22 2HB LYS 22 -2.626 -5.774 -15.580 161 HG2 LYS 22 1HG LYS 22 -4.127 -6.120 -13.652 162 HG3 LYS 22 2HG LYS 22 -5.400 -5.267 -14.524 163 HD2 LYS 22 1HD LYS 22 -4.056 -7.835 -15.360 164 HD3 LYS 22 2HD LYS 22 -5.701 -7.657 -14.750 165 HE2 LYS 22 1HE LYS 22 -6.283 -6.310 -16.697 166 HE3 LYS 22 2HE LYS 22 -4.632 -6.449 -17.297 167 HZ1 LYS 22 3HZ LYS 22 -6.638 -8.617 -17.008 168 HZ2 LYS 22 1HZ LYS 22 -4.996 -8.901 -17.319 169 HZ3 LYS 22 2HZ LYS 22 -5.924 -8.038 -18.437 170 H LYS 23 H LYS 23 -3.561 -2.150 -16.478 171 HA LYS 23 HA LYS 23 -0.755 -1.688 -17.199 172 HB2 LYS 23 1HB LYS 23 -1.699 -0.818 -19.385 173 HB3 LYS 23 2HB LYS 23 -1.825 -2.550 -19.118 174 HG2 LYS 23 1HG LYS 23 -4.184 -2.225 -18.430 175 HG3 LYS 23 2HG LYS 23 -4.028 -0.515 -18.849 176 HD2 LYS 23 1HD LYS 23 -3.564 -1.068 -21.143 177 HD3 LYS 23 2HD LYS 23 -3.516 -2.789 -20.761 178 HE2 LYS 23 1HE LYS 23 -5.625 -2.323 -21.784 179 HE3 LYS 23 2HE LYS 23 -5.905 -2.626 -20.071 180 HZ1 LYS 23 3HZ LYS 23 -6.095 -0.272 -19.686 181 HZ2 LYS 23 1HZ LYS 23 -7.164 -0.724 -20.920 182 HZ3 LYS 23 2HZ LYS 23 -5.716 0.070 -21.306 183 H LEU 24 H LEU 24 0.060 0.182 -16.663 184 HA LEU 24 HA LEU 24 -1.760 2.437 -16.146 185 HB2 LEU 24 1HB LEU 24 0.705 1.585 -14.625 186 HB3 LEU 24 2HB LEU 24 -0.100 3.126 -14.392 187 HG LEU 24 HG LEU 24 -1.516 0.494 -14.003 188 HD11 LEU 24 1HD1 LEU 24 -1.124 0.773 -11.605 189 HD12 LEU 24 2HD1 LEU 24 -0.086 2.160 -11.935 190 HD13 LEU 24 3HD1 LEU 24 0.387 0.553 -12.486 191 HD21 LEU 24 3HD2 LEU 24 -2.087 3.296 -13.039 192 HD22 LEU 24 1HD2 LEU 24 -3.048 1.862 -12.679 193 HD23 LEU 24 2HD2 LEU 24 -2.932 2.452 -14.338 194 H LYS 25 H LYS 25 -0.667 4.563 -16.292 195 HA LYS 25 HA LYS 25 1.449 4.531 -18.342 196 HB2 LYS 25 1HB LYS 25 -0.814 6.515 -18.023 197 HB3 LYS 25 2HB LYS 25 0.476 6.629 -19.212 198 HG2 LYS 25 1HG LYS 25 -0.277 4.544 -20.235 199 HG3 LYS 25 2HG LYS 25 -1.568 4.423 -19.044 200 HD2 LYS 25 1HD LYS 25 -1.252 6.736 -20.948 201 HD3 LYS 25 2HD LYS 25 -2.253 5.327 -21.286 202 HE2 LYS 25 1HE LYS 25 -3.795 6.827 -20.439 203 HE3 LYS 25 2HE LYS 25 -3.370 5.886 -19.012 204 HZ1 LYS 25 3HZ LYS 25 -1.850 7.649 -18.347 205 HZ2 LYS 25 1HZ LYS 25 -3.424 8.250 -18.532 206 HZ3 LYS 25 2HZ LYS 25 -2.251 8.547 -19.724 207 H VAL 26 H VAL 26 2.854 6.447 -18.324 208 HA VAL 26 HA VAL 26 3.765 7.084 -15.725 209 HB VAL 26 HB VAL 26 4.379 8.509 -18.322 210 HG11 VAL 26 1HG1 VAL 26 6.399 9.291 -17.192 211 HG12 VAL 26 2HG1 VAL 26 5.880 8.500 -15.704 212 HG13 VAL 26 3HG1 VAL 26 4.949 9.848 -16.356 213 HG21 VAL 26 3HG2 VAL 26 5.805 6.249 -16.921 214 HG22 VAL 26 1HG2 VAL 26 6.403 7.105 -18.343 215 HG23 VAL 26 2HG2 VAL 26 4.924 6.149 -18.447 216 H GLY 27 H GLY 27 2.743 8.315 -14.324 217 HA2 GLY 27 1HA GLY 27 2.036 10.537 -13.667 218 HA3 GLY 27 2HA GLY 27 1.397 10.760 -15.291 219 H GLU 28 H GLU 28 0.641 7.695 -14.574 220 HA GLU 28 HA GLU 28 -2.104 8.366 -13.975 221 HB2 GLU 28 1HB GLU 28 -1.503 6.599 -15.615 222 HB3 GLU 28 2HB GLU 28 -0.798 5.657 -14.312 223 HG2 GLU 28 1HG GLU 28 -2.968 4.795 -14.825 224 HG3 GLU 28 2HG GLU 28 -3.009 5.550 -13.233 225 H THR 29 H THR 29 -3.204 7.912 -12.109 226 HA THR 29 HA THR 29 -1.558 7.042 -9.830 227 HB THR 29 HB THR 29 -4.085 8.691 -9.676 228 HG1 THR 29 HG1 THR 29 -1.651 9.435 -10.530 229 HG21 THR 29 3HG2 THR 29 -3.246 9.244 -7.432 230 HG22 THR 29 1HG2 THR 29 -1.852 8.197 -7.699 231 HG23 THR 29 2HG2 THR 29 -3.473 7.506 -7.622 232 H ALA 30 H ALA 30 -1.962 5.003 -9.307 233 HA ALA 30 HA ALA 30 -4.582 3.833 -9.815 234 HB1 ALA 30 3HB ALA 30 -2.058 2.559 -8.759 235 HB2 ALA 30 1HB ALA 30 -2.571 2.575 -10.447 236 HB3 ALA 30 2HB ALA 30 -3.527 1.713 -9.240 237 H GLU 31 H GLU 31 -6.107 3.844 -8.301 238 HA GLU 31 HA GLU 31 -5.368 4.447 -5.551 239 HB2 GLU 31 1HB GLU 31 -8.065 4.253 -6.903 240 HB3 GLU 31 2HB GLU 31 -7.840 4.629 -5.200 241 HG2 GLU 31 1HG GLU 31 -6.555 6.624 -5.820 242 HG3 GLU 31 2HG GLU 31 -6.826 6.258 -7.522 243 H ILE 32 H ILE 32 -4.578 2.689 -4.590 244 HA ILE 32 HA ILE 32 -5.882 0.109 -4.879 245 HB ILE 32 HB ILE 32 -3.584 0.835 -3.051 246 HG12 ILE 32 1HG1 ILE 32 -3.462 -0.266 -5.872 247 HG13 ILE 32 2HG1 ILE 32 -3.049 1.382 -5.410 248 HG21 ILE 32 1HG2 ILE 32 -3.086 -1.573 -3.173 249 HG22 ILE 32 2HG2 ILE 32 -4.534 -1.808 -4.151 250 HG23 ILE 32 3HG2 ILE 32 -4.676 -1.253 -2.483 251 HD11 ILE 32 3HD1 ILE 32 -1.217 0.538 -4.039 252 HD12 ILE 32 1HD1 ILE 32 -1.064 0.021 -5.719 253 HD13 ILE 32 2HD1 ILE 32 -1.637 -1.113 -4.497 254 H ARG 33 H ARG 33 -7.811 0.147 -3.859 255 HA ARG 33 HA ARG 33 -8.054 1.388 -1.248 256 HB2 ARG 33 1HB ARG 33 -10.108 0.007 -2.988 257 HB3 ARG 33 2HB ARG 33 -10.455 0.859 -1.486 258 HG2 ARG 33 1HG ARG 33 -9.821 2.946 -2.420 259 HG3 ARG 33 2HG ARG 33 -9.150 2.170 -3.854 260 HD2 ARG 33 1HD ARG 33 -11.405 1.408 -4.471 261 HD3 ARG 33 2HD ARG 33 -12.057 2.239 -3.057 262 HE ARG 33 HE ARG 33 -11.403 4.334 -4.058 263 HH11 ARG 33 1HH1 ARG 33 -11.320 1.536 -6.180 264 HH12 ARG 33 2HH1 ARG 33 -11.343 2.487 -7.637 265 HH21 ARG 33 1HH2 ARG 33 -11.450 5.573 -5.976 266 HH22 ARG 33 2HH2 ARG 33 -11.402 4.771 -7.517 267 H CYS 34 H CYS 34 -7.804 0.316 0.577 268 HA CYS 34 HA CYS 34 -7.749 -2.626 0.424 269 HB2 CYS 34 1HB CYS 34 -6.057 -0.894 2.229 270 HB3 CYS 34 2HB CYS 34 -5.898 -2.626 1.955 271 HG CYS 34 HG CYS 34 -5.316 -0.237 -0.431 272 H GLN 35 H GLN 35 -8.743 -3.770 2.017 273 HA GLN 35 HA GLN 35 -9.925 -2.233 4.238 274 HB2 GLN 35 1HB GLN 35 -11.678 -2.954 2.703 275 HB3 GLN 35 2HB GLN 35 -11.102 -4.613 2.786 276 HG2 GLN 35 1HG GLN 35 -11.645 -4.657 5.183 277 HG3 GLN 35 2HG GLN 35 -12.283 -3.019 5.047 278 HE21 GLN 35 2HE2 GLN 35 -14.249 -2.680 4.048 279 HE22 GLN 35 1HE2 GLN 35 -15.325 -3.983 3.661 280 H LEU 36 H LEU 36 -8.904 -2.707 6.027 281 HA LEU 36 HA LEU 36 -7.526 -5.230 6.382 282 HB2 LEU 36 1HB LEU 36 -6.621 -2.968 7.057 283 HB3 LEU 36 2HB LEU 36 -7.823 -2.939 8.328 284 HG LEU 36 HG LEU 36 -5.823 -5.176 8.158 285 HD11 LEU 36 1HD1 LEU 36 -5.457 -2.505 9.507 286 HD12 LEU 36 2HD1 LEU 36 -4.539 -3.118 8.133 287 HD13 LEU 36 3HD1 LEU 36 -4.405 -3.907 9.704 288 HD21 LEU 36 3HD2 LEU 36 -7.721 -5.465 9.669 289 HD22 LEU 36 1HD2 LEU 36 -7.331 -3.934 10.455 290 HD23 LEU 36 2HD2 LEU 36 -6.211 -5.292 10.564 291 H HIS 37 H HIS 37 -8.465 -6.955 7.234 292 HA HIS 37 HA HIS 37 -10.988 -6.642 8.663 293 HB2 HIS 37 1HB HIS 37 -9.552 -9.102 7.653 294 HB3 HIS 37 2HB HIS 37 -11.066 -9.147 8.549 295 HD1 HIS 37 HD1 HIS 37 -13.162 -8.960 7.208 296 HD2 HIS 37 HD2 HIS 37 -9.800 -7.727 5.085 297 HE1 HIS 37 HE1 HIS 37 -13.946 -8.569 4.850 298 HE2 HIS 37 HE2 HIS 37 -11.922 -7.735 3.607 299 H ARG 38 H ARG 38 -10.612 -6.027 10.713 300 HA ARG 38 HA ARG 38 -8.974 -7.859 12.330 301 HB2 ARG 38 1HB ARG 38 -8.579 -5.947 13.893 302 HB3 ARG 38 2HB ARG 38 -7.818 -5.771 12.321 303 HG2 ARG 38 1HG ARG 38 -9.500 -4.198 11.625 304 HG3 ARG 38 2HG ARG 38 -10.410 -4.460 13.115 305 HD2 ARG 38 1HD ARG 38 -8.589 -3.543 14.421 306 HD3 ARG 38 2HD ARG 38 -7.606 -3.364 12.970 307 HE ARG 38 HE ARG 38 -9.828 -1.907 12.421 308 HH11 ARG 38 1HH1 ARG 38 -7.553 -1.925 15.075 309 HH12 ARG 38 2HH1 ARG 38 -7.726 -0.235 15.412 310 HH21 ARG 38 1HH2 ARG 38 -10.041 0.344 12.830 311 HH22 ARG 38 2HH2 ARG 38 -9.124 1.061 14.134 312 H ASP 39 H ASP 39 -10.282 -9.120 13.450 313 HA ASP 39 HA ASP 39 -12.858 -8.136 14.333 314 HB2 ASP 39 1HB ASP 39 -11.563 -10.835 14.259 315 HB3 ASP 39 2HB ASP 39 -12.922 -10.557 15.347 316 H GLY 40 H GLY 40 -13.534 -8.117 16.470 317 HA2 GLY 40 1HA GLY 40 -11.435 -7.058 18.162 318 HA3 GLY 40 2HA GLY 40 -13.164 -6.955 18.449 319 H ARG 41 H ARG 41 -10.342 -9.028 18.694 320 HA ARG 41 HA ARG 41 -11.725 -10.655 20.704 321 HB2 ARG 41 1HB ARG 41 -9.912 -11.417 18.837 322 HB3 ARG 41 2HB ARG 41 -8.822 -11.041 20.164 323 HG2 ARG 41 1HG ARG 41 -11.097 -13.016 20.221 324 HG3 ARG 41 2HG ARG 41 -9.378 -13.393 20.153 325 HD2 ARG 41 1HD ARG 41 -10.714 -11.905 22.407 326 HD3 ARG 41 2HD ARG 41 -10.384 -13.635 22.409 327 HE ARG 41 HE ARG 41 -7.973 -12.350 21.897 328 HH11 ARG 41 1HH1 ARG 41 -10.327 -12.528 24.467 329 HH12 ARG 41 2HH1 ARG 41 -9.162 -12.263 25.727 330 HH21 ARG 41 1HH2 ARG 41 -6.425 -12.006 23.576 331 HH22 ARG 41 2HH2 ARG 41 -6.969 -11.997 25.235 332 H PHE 42 H PHE 42 -8.618 -8.993 20.361 333 HA PHE 42 HA PHE 42 -9.073 -7.725 22.975 334 HB2 PHE 42 1HB PHE 42 -7.193 -9.245 23.154 335 HB3 PHE 42 2HB PHE 42 -6.477 -8.597 21.683 336 HD1 PHE 42 HD2 PHE 42 -7.432 -7.680 25.141 337 HD2 PHE 42 HD1 PHE 42 -4.981 -6.839 21.771 338 HE1 PHE 42 HE2 PHE 42 -6.168 -6.047 26.482 339 HE2 PHE 42 HE1 PHE 42 -3.705 -5.205 23.103 340 HZ PHE 42 HZ PHE 42 -4.301 -4.803 25.457 341 H GLU 43 H GLU 43 -7.531 -7.463 19.806 342 HA GLU 43 HA GLU 43 -7.272 -5.771 18.327 343 HB2 GLU 43 1HB GLU 43 -9.840 -5.666 18.999 344 HB3 GLU 43 2HB GLU 43 -9.361 -4.109 19.658 345 HG2 GLU 43 1HG GLU 43 -8.475 -3.469 17.458 346 HG3 GLU 43 2HG GLU 43 -9.020 -5.012 16.808 347 H GLU 44 H GLU 44 -7.776 -2.905 18.860 348 HA GLU 44 HA GLU 44 -6.537 -1.091 19.418 349 HB2 GLU 44 1HB GLU 44 -6.391 -2.690 21.964 350 HB3 GLU 44 2HB GLU 44 -5.703 -1.076 21.830 351 HG2 GLU 44 1HG GLU 44 -7.889 -0.172 21.280 352 HG3 GLU 44 2HG GLU 44 -8.586 -1.789 21.347 353 H THR 45 H THR 45 -5.218 -3.345 18.116 354 HA THR 45 HA THR 45 -2.469 -3.192 19.052 355 HB THR 45 HB THR 45 -3.583 -4.663 16.656 356 HG1 THR 45 HG1 THR 45 -3.975 -5.108 19.277 357 HG21 THR 45 3HG2 THR 45 -1.151 -4.399 16.638 358 HG22 THR 45 1HG2 THR 45 -1.599 -6.081 16.927 359 HG23 THR 45 2HG2 THR 45 -1.060 -5.069 18.268 360 H LYS 46 H LYS 46 -0.809 -2.173 17.873 361 HA LYS 46 HA LYS 46 -1.744 -0.023 16.182 362 HB2 LYS 46 1HB LYS 46 0.845 -0.713 17.484 363 HB3 LYS 46 2HB LYS 46 0.889 0.332 16.075 364 HG2 LYS 46 1HG LYS 46 0.745 1.918 17.678 365 HG3 LYS 46 2HG LYS 46 -0.978 1.623 17.452 366 HD2 LYS 46 1HD LYS 46 0.596 0.096 19.498 367 HD3 LYS 46 2HD LYS 46 -0.025 1.707 19.851 368 HE2 LYS 46 1HE LYS 46 -2.283 0.971 19.427 369 HE3 LYS 46 2HE LYS 46 -1.703 -0.618 18.926 370 HZ1 LYS 46 3HZ LYS 46 -1.406 0.546 21.641 371 HZ2 LYS 46 1HZ LYS 46 -0.875 -0.990 21.160 372 HZ3 LYS 46 2HZ LYS 46 -2.534 -0.637 21.197 373 H TYR 47 H TYR 47 -1.958 -0.198 14.069 374 HA TYR 47 HA TYR 47 -0.469 -2.266 12.632 375 HB2 TYR 47 1HB TYR 47 -2.785 -0.533 11.730 376 HB3 TYR 47 2HB TYR 47 -2.038 -1.809 10.777 377 HD1 TYR 47 HD1 TYR 47 -2.298 -4.177 11.463 378 HD2 TYR 47 HD2 TYR 47 -4.373 -1.033 13.443 379 HE1 TYR 47 HE1 TYR 47 -3.838 -5.819 12.450 380 HE2 TYR 47 HE2 TYR 47 -5.915 -2.668 14.436 381 HH TYR 47 HH TYR 47 -5.319 -6.033 14.339 382 H PHE 48 H PHE 48 1.265 -1.745 11.484 383 HA PHE 48 HA PHE 48 1.679 1.098 10.820 384 HB2 PHE 48 1HB PHE 48 3.750 -1.033 11.381 385 HB3 PHE 48 2HB PHE 48 4.096 0.633 10.937 386 HD1 PHE 48 HD2 PHE 48 3.219 2.465 12.494 387 HD2 PHE 48 HD1 PHE 48 3.510 -1.633 13.602 388 HE1 PHE 48 HE2 PHE 48 3.183 3.108 14.866 389 HE2 PHE 48 HE1 PHE 48 3.475 -0.997 15.978 390 HZ PHE 48 HZ PHE 48 3.314 1.378 16.613 391 H ILE 49 H ILE 49 2.678 1.593 8.833 392 HA ILE 49 HA ILE 49 2.628 -0.580 6.857 393 HB ILE 49 HB ILE 49 0.550 0.680 6.630 394 HG12 ILE 49 1HG1 ILE 49 2.493 1.311 4.401 395 HG13 ILE 49 2HG1 ILE 49 1.645 -0.218 4.608 396 HG21 ILE 49 1HG2 ILE 49 1.258 2.796 7.591 397 HG22 ILE 49 2HG2 ILE 49 0.564 3.045 5.990 398 HG23 ILE 49 3HG2 ILE 49 2.313 3.088 6.208 399 HD11 ILE 49 3HD1 ILE 49 0.589 1.146 2.910 400 HD12 ILE 49 1HD1 ILE 49 0.367 2.455 4.072 401 HD13 ILE 49 2HD1 ILE 49 -0.487 0.927 4.289 402 H ARG 50 H ARG 50 4.233 -0.614 5.439 403 HA ARG 50 HA ARG 50 5.607 1.728 4.546 404 HB2 ARG 50 1HB ARG 50 7.850 1.132 5.247 405 HB3 ARG 50 2HB ARG 50 6.835 1.274 6.674 406 HG2 ARG 50 1HG ARG 50 6.664 -1.135 6.830 407 HG3 ARG 50 2HG ARG 50 7.599 -1.318 5.345 408 HD2 ARG 50 1HD ARG 50 9.494 -0.179 6.445 409 HD3 ARG 50 2HD ARG 50 8.559 -0.113 7.936 410 HE ARG 50 HE ARG 50 8.628 -2.769 7.139 411 HH11 ARG 50 1HH1 ARG 50 10.916 -0.306 8.092 412 HH12 ARG 50 2HH1 ARG 50 12.034 -1.428 8.808 413 HH21 ARG 50 1HH2 ARG 50 10.098 -4.266 8.055 414 HH22 ARG 50 2HH2 ARG 50 11.572 -3.685 8.774 415 H TYR 51 H TYR 51 6.762 1.257 2.584 416 HA TYR 51 HA TYR 51 6.316 -1.498 1.661 417 HB2 TYR 51 1HB TYR 51 5.798 -0.665 -0.571 418 HB3 TYR 51 2HB TYR 51 4.691 0.007 0.616 419 HD1 TYR 51 HD1 TYR 51 4.831 2.374 1.240 420 HD2 TYR 51 HD2 TYR 51 7.303 0.739 -1.809 421 HE1 TYR 51 HE1 TYR 51 5.319 4.637 0.425 422 HE2 TYR 51 HE2 TYR 51 7.802 3.001 -2.629 423 HH TYR 51 HH TYR 51 7.027 5.803 -0.847 424 H PHE 52 H PHE 52 7.805 -2.424 0.342 425 HA PHE 52 HA PHE 52 10.387 -1.032 0.191 426 HB2 PHE 52 1HB PHE 52 10.367 -3.167 1.448 427 HB3 PHE 52 2HB PHE 52 9.788 -3.994 0.007 428 HD1 PHE 52 HD2 PHE 52 12.604 -1.892 1.215 429 HD2 PHE 52 HD1 PHE 52 11.308 -4.945 -1.449 430 HE1 PHE 52 HE2 PHE 52 14.929 -2.242 0.491 431 HE2 PHE 52 HE1 PHE 52 13.629 -5.302 -2.175 432 HZ PHE 52 HZ PHE 52 15.443 -3.948 -1.207 433 H GLN 53 H GLN 53 11.066 -0.383 -1.715 434 HA GLN 53 HA GLN 53 9.781 -1.502 -4.119 435 HB2 GLN 53 1HB GLN 53 9.241 0.883 -3.627 436 HB3 GLN 53 2HB GLN 53 10.952 1.266 -3.737 437 HG2 GLN 53 1HG GLN 53 10.989 0.706 -6.064 438 HG3 GLN 53 2HG GLN 53 9.337 0.096 -5.989 439 HE21 GLN 53 2HE2 GLN 53 8.466 2.260 -4.236 440 HE22 GLN 53 1HE2 GLN 53 8.318 3.661 -5.239 441 HA PRO 54 HA PRO 54 14.094 -2.957 -4.350 442 HB2 PRO 54 1HB PRO 54 12.962 -4.659 -6.471 443 HB3 PRO 54 2HB PRO 54 13.836 -5.122 -5.008 444 HG2 PRO 54 1HG PRO 54 11.203 -5.547 -5.263 445 HG3 PRO 54 2HG PRO 54 11.932 -5.112 -3.708 446 HD2 PRO 54 1HD PRO 54 10.419 -3.398 -5.638 447 HD3 PRO 54 2HD PRO 54 10.343 -3.434 -3.864 448 H ASP 55 H ASP 55 12.040 -2.495 -7.234 449 HA ASP 55 HA ASP 55 14.087 -0.802 -8.404 450 HB2 ASP 55 1HB ASP 55 14.759 -3.041 -9.168 451 HB3 ASP 55 2HB ASP 55 13.142 -3.316 -9.809 452 H GLY 56 H GLY 56 13.255 0.684 -9.811 453 HA2 GLY 56 1HA GLY 56 11.405 0.919 -11.551 454 HA3 GLY 56 2HA GLY 56 10.340 0.576 -10.196 455 H ALA 57 H ALA 57 9.366 2.608 -10.729 456 HA ALA 57 HA ALA 57 10.471 4.741 -9.131 457 HB1 ALA 57 3HB ALA 57 10.322 6.438 -10.892 458 HB2 ALA 57 1HB ALA 57 9.932 5.182 -12.068 459 HB3 ALA 57 2HB ALA 57 11.515 5.203 -11.292 460 H GLY 58 H GLY 58 8.660 4.476 -7.845 461 HA2 GLY 58 1HA GLY 58 6.217 5.624 -8.954 462 HA3 GLY 58 2HA GLY 58 6.094 3.990 -8.317 463 H THR 59 H THR 59 5.245 6.908 -7.552 464 HA THR 59 HA THR 59 6.224 6.967 -4.801 465 HB THR 59 HB THR 59 4.392 8.938 -6.186 466 HG1 THR 59 HG1 THR 59 7.243 8.977 -5.897 467 HG21 THR 59 3HG2 THR 59 6.123 9.174 -3.719 468 HG22 THR 59 1HG2 THR 59 4.362 9.068 -3.747 469 HG23 THR 59 2HG2 THR 59 5.171 10.476 -4.435 470 H LEU 60 H LEU 60 5.123 5.756 -3.389 471 HA LEU 60 HA LEU 60 2.242 5.388 -3.796 472 HB2 LEU 60 1HB LEU 60 3.645 3.365 -3.547 473 HB3 LEU 60 2HB LEU 60 4.122 3.912 -1.951 474 HG LEU 60 HG LEU 60 1.757 3.757 -1.219 475 HD11 LEU 60 1HD1 LEU 60 0.180 2.506 -2.651 476 HD12 LEU 60 2HD1 LEU 60 1.347 2.593 -3.969 477 HD13 LEU 60 3HD1 LEU 60 0.632 4.072 -3.325 478 HD21 LEU 60 3HD2 LEU 60 2.914 1.231 -2.394 479 HD22 LEU 60 1HD2 LEU 60 1.659 1.308 -1.155 480 HD23 LEU 60 2HD2 LEU 60 3.281 1.909 -0.807 481 H LYS 61 H LYS 61 1.056 6.853 -2.825 482 HA LYS 61 HA LYS 61 1.885 7.841 -0.183 483 HB2 LYS 61 1HB LYS 61 -0.036 9.017 -2.200 484 HB3 LYS 61 2HB LYS 61 0.272 9.692 -0.608 485 HG2 LYS 61 1HG LYS 61 2.610 10.059 -1.212 486 HG3 LYS 61 2HG LYS 61 2.301 9.376 -2.810 487 HD2 LYS 61 1HD LYS 61 0.951 11.823 -1.671 488 HD3 LYS 61 2HD LYS 61 2.285 11.842 -2.825 489 HE2 LYS 61 1HE LYS 61 0.904 10.633 -4.436 490 HE3 LYS 61 2HE LYS 61 -0.424 10.606 -3.281 491 HZ1 LYS 61 3HZ LYS 61 -0.545 12.996 -3.366 492 HZ2 LYS 61 1HZ LYS 61 -0.653 12.368 -4.940 493 HZ3 LYS 61 2HZ LYS 61 0.795 13.071 -4.402 494 H MET 62 H MET 62 0.192 8.173 1.408 495 HA MET 62 HA MET 62 -1.792 6.040 1.305 496 HB2 MET 62 1HB MET 62 -0.303 6.415 3.315 497 HB3 MET 62 2HB MET 62 -1.174 7.913 3.600 498 HG2 MET 62 1HG MET 62 -3.178 6.773 4.082 499 HG3 MET 62 2HG MET 62 -2.553 5.252 3.452 500 HE1 MET 62 3HE MET 62 -0.467 7.720 5.699 501 HE2 MET 62 1HE MET 62 -0.938 7.195 7.316 502 HE3 MET 62 2HE MET 62 -2.121 7.969 6.260 503 H SER 63 H SER 63 -3.990 6.661 2.288 504 HA SER 63 HA SER 63 -5.349 8.286 0.533 505 HB2 SER 63 1HB SER 63 -7.095 8.232 2.525 506 HB3 SER 63 2HB SER 63 -6.701 6.774 1.617 507 HG SER 63 HG SER 63 -5.879 7.548 4.199 508 H ASP 64 H ASP 64 -3.844 9.132 3.560 509 HA ASP 64 HA ASP 64 -5.132 11.662 3.856 510 HB2 ASP 64 1HB ASP 64 -2.565 10.651 5.096 511 HB3 ASP 64 2HB ASP 64 -3.510 12.032 5.646 512 H GLY 65 H GLY 65 -2.842 10.610 1.684 513 HA2 GLY 65 1HA GLY 65 -1.836 11.974 0.037 514 HA3 GLY 65 2HA GLY 65 -1.991 13.356 1.116 515 H THR 66 H THR 66 -0.935 11.204 3.152 516 HA THR 66 HA THR 66 1.690 12.176 3.315 517 HB THR 66 HB THR 66 0.527 9.670 4.554 518 HG1 THR 66 HG1 THR 66 0.582 12.400 5.394 519 HG21 THR 66 3HG2 THR 66 2.251 9.964 6.266 520 HG22 THR 66 1HG2 THR 66 2.896 11.353 5.391 521 HG23 THR 66 2HG2 THR 66 2.976 9.744 4.674 522 H VAL 67 H VAL 67 3.418 11.657 2.145 523 HA VAL 67 HA VAL 67 3.468 9.373 0.402 524 HB VAL 67 HB VAL 67 5.742 11.217 1.179 525 HG11 VAL 67 1HG1 VAL 67 6.770 10.453 -0.919 526 HG12 VAL 67 2HG1 VAL 67 5.441 9.315 -1.142 527 HG13 VAL 67 3HG1 VAL 67 6.536 9.137 0.229 528 HG21 VAL 67 3HG2 VAL 67 3.901 12.472 0.191 529 HG22 VAL 67 1HG2 VAL 67 3.866 11.364 -1.183 530 HG23 VAL 67 2HG2 VAL 67 5.271 12.397 -0.917 531 H LEU 68 H LEU 68 4.115 7.378 0.924 532 HA LEU 68 HA LEU 68 4.945 6.942 3.669 533 HB2 LEU 68 1HB LEU 68 4.261 4.950 1.507 534 HB3 LEU 68 2HB LEU 68 4.485 4.588 3.208 535 HG LEU 68 HG LEU 68 2.303 6.352 2.095 536 HD11 LEU 68 1HD1 LEU 68 0.805 4.506 2.629 537 HD12 LEU 68 2HD1 LEU 68 2.186 3.515 3.101 538 HD13 LEU 68 3HD1 LEU 68 2.004 4.035 1.425 539 HD21 LEU 68 3HD2 LEU 68 1.345 6.182 4.338 540 HD22 LEU 68 1HD2 LEU 68 2.931 6.951 4.369 541 HD23 LEU 68 2HD2 LEU 68 2.757 5.269 4.872 542 H LEU 69 H LEU 69 6.826 6.003 4.320 543 HA LEU 69 HA LEU 69 8.862 5.461 2.267 544 HB2 LEU 69 1HB LEU 69 9.104 7.061 4.800 545 HB3 LEU 69 2HB LEU 69 10.503 6.285 4.093 546 HG LEU 69 HG LEU 69 10.595 8.510 3.366 547 HD11 LEU 69 1HD1 LEU 69 10.265 8.396 0.944 548 HD12 LEU 69 2HD1 LEU 69 9.337 6.912 1.148 549 HD13 LEU 69 3HD1 LEU 69 11.047 6.949 1.580 550 HD21 LEU 69 3HD2 LEU 69 7.679 8.304 2.634 551 HD22 LEU 69 1HD2 LEU 69 8.720 9.689 2.302 552 HD23 LEU 69 2HD2 LEU 69 8.367 9.230 3.967 553 HA PRO 70 HA PRO 70 9.500 1.733 4.627 554 HB2 PRO 70 1HB PRO 70 11.946 1.005 3.789 555 HB3 PRO 70 2HB PRO 70 10.541 0.954 2.720 556 HG2 PRO 70 1HG PRO 70 12.721 2.992 2.891 557 HG3 PRO 70 2HG PRO 70 11.926 2.317 1.458 558 HD2 PRO 70 1HD PRO 70 11.311 4.762 2.570 559 HD3 PRO 70 2HD PRO 70 10.198 3.805 1.572 560 H ASN 71 H ASN 71 11.717 4.406 4.890 561 HA ASN 71 HA ASN 71 13.099 3.253 7.176 562 HB2 ASN 71 1HB ASN 71 14.478 5.292 7.129 563 HB3 ASN 71 2HB ASN 71 14.445 4.500 5.558 564 HD21 ASN 71 2HD2 ASN 71 14.999 7.295 6.349 565 HD22 ASN 71 1HD2 ASN 71 13.897 8.252 5.417 566 H ASP 72 H ASP 72 10.537 5.453 6.482 567 HA ASP 72 HA ASP 72 10.381 6.177 9.335 568 HB2 ASP 72 1HB ASP 72 10.524 7.999 7.460 569 HB3 ASP 72 2HB ASP 72 8.835 7.586 7.179 570 H LEU 73 H LEU 73 8.938 4.978 10.389 571 HA LEU 73 HA LEU 73 7.069 3.380 8.847 572 HB2 LEU 73 1HB LEU 73 8.518 2.389 10.601 573 HB3 LEU 73 2HB LEU 73 7.662 3.334 11.803 574 HG LEU 73 HG LEU 73 5.578 2.132 11.250 575 HD11 LEU 73 1HD1 LEU 73 6.045 1.585 8.930 576 HD12 LEU 73 2HD1 LEU 73 5.698 0.118 9.847 577 HD13 LEU 73 3HD1 LEU 73 7.362 0.522 9.427 578 HD21 LEU 73 3HD2 LEU 73 6.243 -0.036 12.219 579 HD22 LEU 73 1HD2 LEU 73 6.952 1.331 13.077 580 HD23 LEU 73 2HD2 LEU 73 7.935 0.385 11.958 581 H TYR 74 H TYR 74 5.058 4.011 8.497 582 HA TYR 74 HA TYR 74 3.874 6.000 10.315 583 HB2 TYR 74 1HB TYR 74 3.149 5.283 7.465 584 HB3 TYR 74 2HB TYR 74 2.325 6.496 8.439 585 HD1 TYR 74 HD2 TYR 74 3.756 8.454 9.315 586 HD2 TYR 74 HD1 TYR 74 4.988 5.888 6.155 587 HE1 TYR 74 HE2 TYR 74 5.366 10.154 8.571 588 HE2 TYR 74 HE1 TYR 74 6.607 7.582 5.402 589 HH TYR 74 HH TYR 74 7.565 10.151 7.280 590 HA PRO 75 HA PRO 75 0.845 2.917 11.408 591 HB2 PRO 75 1HB PRO 75 -0.820 4.812 12.692 592 HB3 PRO 75 2HB PRO 75 0.438 3.828 13.437 593 HG2 PRO 75 1HG PRO 75 0.478 6.610 13.150 594 HG3 PRO 75 2HG PRO 75 1.864 5.584 13.555 595 HD2 PRO 75 1HD PRO 75 1.078 6.772 10.937 596 HD3 PRO 75 2HD PRO 75 2.697 6.457 11.600 597 H LEU 76 H LEU 76 -1.296 2.283 10.937 598 HA LEU 76 HA LEU 76 -2.415 3.556 8.590 599 HB2 LEU 76 1HB LEU 76 -3.163 1.070 10.120 600 HB3 LEU 76 2HB LEU 76 -4.063 1.648 8.730 601 HG LEU 76 HG LEU 76 -1.152 0.838 8.694 602 HD11 LEU 76 1HD1 LEU 76 -2.648 -1.064 9.044 603 HD12 LEU 76 2HD1 LEU 76 -1.924 -1.103 7.435 604 HD13 LEU 76 3HD1 LEU 76 -3.597 -0.581 7.639 605 HD21 LEU 76 3HD2 LEU 76 -1.398 1.018 6.258 606 HD22 LEU 76 1HD2 LEU 76 -1.673 2.568 7.056 607 HD23 LEU 76 2HD2 LEU 76 -3.042 1.619 6.473 608 HA PRO 77 HA PRO 77 -5.360 6.000 10.760 609 HB2 PRO 77 1HB PRO 77 -7.154 6.424 8.768 610 HB3 PRO 77 2HB PRO 77 -5.575 7.211 8.829 611 HG2 PRO 77 1HG PRO 77 -6.449 4.832 7.242 612 HG3 PRO 77 2HG PRO 77 -5.424 6.195 6.750 613 HD2 PRO 77 1HD PRO 77 -4.428 3.765 7.458 614 HD3 PRO 77 2HD PRO 77 -3.543 5.282 7.707 615 H GLY 78 H GLY 78 -6.493 3.131 9.026 616 HA2 GLY 78 1HA GLY 78 -8.149 2.282 11.136 617 HA3 GLY 78 2HA GLY 78 -9.141 3.099 9.935 618 H GLU 79 H GLU 79 -10.155 0.948 9.789 619 HA GLU 79 HA GLU 79 -8.718 -1.259 8.710 620 HB2 GLU 79 1HB GLU 79 -11.695 -0.740 8.572 621 HB3 GLU 79 2HB GLU 79 -10.895 -2.286 8.340 622 HG2 GLU 79 1HG GLU 79 -11.589 -2.535 10.479 623 HG3 GLU 79 2HG GLU 79 -10.013 -1.803 10.773 624 H THR 80 H THR 80 -10.825 1.207 7.309 625 HA THR 80 HA THR 80 -10.223 0.185 4.630 626 HB THR 80 HB THR 80 -12.217 2.338 5.365 627 HG1 THR 80 HG1 THR 80 -13.202 0.661 6.281 628 HG21 THR 80 3HG2 THR 80 -13.210 1.759 3.201 629 HG22 THR 80 1HG2 THR 80 -11.946 0.560 2.936 630 HG23 THR 80 2HG2 THR 80 -11.534 2.275 3.007 631 H PHE 81 H PHE 81 -8.383 1.004 3.882 632 HA PHE 81 HA PHE 81 -8.059 3.921 3.962 633 HB2 PHE 81 1HB PHE 81 -5.601 3.612 4.246 634 HB3 PHE 81 2HB PHE 81 -6.533 3.085 5.639 635 HD1 PHE 81 HD1 PHE 81 -6.819 0.678 6.091 636 HD2 PHE 81 HD2 PHE 81 -4.269 2.106 3.000 637 HE1 PHE 81 HE1 PHE 81 -5.698 -1.509 6.016 638 HE2 PHE 81 HE2 PHE 81 -3.145 -0.077 2.915 639 HZ PHE 81 HZ PHE 81 -3.861 -1.889 4.424 640 H ARG 82 H ARG 82 -6.451 4.673 2.289 641 HA ARG 82 HA ARG 82 -6.746 3.013 -0.131 642 HB2 ARG 82 1HB ARG 82 -7.079 6.019 0.057 643 HB3 ARG 82 2HB ARG 82 -7.208 5.056 -1.408 644 HG2 ARG 82 1HG ARG 82 -9.208 4.063 -0.722 645 HG3 ARG 82 2HG ARG 82 -8.977 4.557 0.955 646 HD2 ARG 82 1HD ARG 82 -9.255 6.911 0.265 647 HD3 ARG 82 2HD ARG 82 -9.565 6.364 -1.384 648 HE ARG 82 HE ARG 82 -11.606 5.378 -0.652 649 HH11 ARG 82 1HH1 ARG 82 -10.016 7.357 1.788 650 HH12 ARG 82 2HH1 ARG 82 -11.426 7.444 2.801 651 HH21 ARG 82 1HH2 ARG 82 -13.457 5.536 0.681 652 HH22 ARG 82 2HH2 ARG 82 -13.378 6.459 2.155 653 H LEU 83 H LEU 83 -4.948 2.733 -1.283 654 HA LEU 83 HA LEU 83 -2.602 4.360 -0.581 655 HB2 LEU 83 1HB LEU 83 -2.772 1.649 -1.897 656 HB3 LEU 83 2HB LEU 83 -1.284 2.519 -1.586 657 HG LEU 83 HG LEU 83 -3.185 1.451 0.502 658 HD11 LEU 83 1HD1 LEU 83 -0.389 0.621 -0.266 659 HD12 LEU 83 2HD1 LEU 83 -1.868 -0.280 -0.597 660 HD13 LEU 83 3HD1 LEU 83 -1.334 -0.042 1.067 661 HD21 LEU 83 3HD2 LEU 83 -0.568 2.920 0.834 662 HD22 LEU 83 1HD2 LEU 83 -1.526 2.203 2.131 663 HD23 LEU 83 2HD2 LEU 83 -2.168 3.562 1.208 664 H TYR 84 H TYR 84 -2.007 5.845 -1.977 665 HA TYR 84 HA TYR 84 -3.108 5.750 -4.684 666 HB2 TYR 84 1HB TYR 84 -1.977 7.996 -3.019 667 HB3 TYR 84 2HB TYR 84 -2.311 8.174 -4.740 668 HD1 TYR 84 HD2 TYR 84 -3.883 7.432 -1.463 669 HD2 TYR 84 HD1 TYR 84 -4.494 8.542 -5.523 670 HE1 TYR 84 HE2 TYR 84 -6.251 7.889 -0.976 671 HE2 TYR 84 HE1 TYR 84 -6.858 8.997 -5.050 672 HH TYR 84 HH TYR 84 -8.557 8.321 -3.441 673 H TYR 85 H TYR 85 -1.837 4.555 -5.908 674 HA TYR 85 HA TYR 85 1.059 4.797 -5.716 675 HB2 TYR 85 1HB TYR 85 0.125 2.553 -5.848 676 HB3 TYR 85 2HB TYR 85 -0.714 2.960 -7.339 677 HD1 TYR 85 HD2 TYR 85 2.741 2.800 -5.921 678 HD2 TYR 85 HD1 TYR 85 0.267 2.421 -9.363 679 HE1 TYR 85 HE2 TYR 85 4.675 2.025 -7.223 680 HE2 TYR 85 HE1 TYR 85 2.199 1.644 -10.670 681 HH TYR 85 HH TYR 85 4.632 1.779 -10.610 682 H THR 86 H THR 86 1.856 6.518 -6.741 683 HA THR 86 HA THR 86 0.705 7.395 -9.265 684 HB THR 86 HB THR 86 3.096 8.529 -7.798 685 HG1 THR 86 HG1 THR 86 0.622 8.471 -6.965 686 HG21 THR 86 3HG2 THR 86 2.569 10.569 -9.065 687 HG22 THR 86 1HG2 THR 86 1.248 9.723 -9.875 688 HG23 THR 86 2HG2 THR 86 2.917 9.220 -10.145 689 H SER 87 H SER 87 1.274 6.271 -11.003 690 HA SER 87 HA SER 87 3.711 4.770 -11.137 691 HB2 SER 87 1HB SER 87 1.702 5.336 -13.328 692 HB3 SER 87 2HB SER 87 2.897 4.039 -13.300 693 HG SER 87 HG SER 87 1.414 2.916 -12.338 694 H ALA 88 H ALA 88 5.537 5.931 -11.299 695 HA ALA 88 HA ALA 88 5.696 8.053 -13.315 696 HB1 ALA 88 3HB ALA 88 7.676 7.233 -11.186 697 HB2 ALA 88 1HB ALA 88 6.570 8.605 -11.107 698 HB3 ALA 88 2HB ALA 88 7.867 8.589 -12.301 699 H SER 89 H SER 89 5.945 4.847 -13.208 700 HA SER 89 HA SER 89 8.186 4.680 -15.091 701 HB2 SER 89 1HB SER 89 8.001 2.179 -14.532 702 HB3 SER 89 2HB SER 89 8.605 3.235 -13.254 703 HG SER 89 HG SER 89 7.075 2.181 -12.192 704 H THR 90 H THR 90 7.896 3.117 -16.878 705 HA THR 90 HA THR 90 5.080 2.939 -17.744 706 HB THR 90 HB THR 90 6.266 4.652 -19.042 707 HG1 THR 90 HG1 THR 90 5.399 2.266 -20.253 708 HG21 THR 90 3HG2 THR 90 8.541 3.831 -18.835 709 HG22 THR 90 1HG2 THR 90 8.117 4.013 -20.537 710 HG23 THR 90 2HG2 THR 90 8.139 2.409 -19.800 711 H ASP 91 H ASP 91 7.298 1.105 -16.507 712 HA ASP 91 HA ASP 91 6.635 -1.205 -18.169 713 HB2 ASP 91 1HB ASP 91 8.948 -2.066 -18.002 714 HB3 ASP 91 2HB ASP 91 8.863 -0.561 -18.909 715 H GLN 92 H GLN 92 7.873 -3.191 -16.817 716 HA GLN 92 HA GLN 92 6.074 -3.576 -14.705 717 HB2 GLN 92 1HB GLN 92 6.950 -5.471 -15.914 718 HB3 GLN 92 2HB GLN 92 8.592 -5.096 -15.401 719 HG2 GLN 92 1HG GLN 92 7.951 -5.536 -13.076 720 HG3 GLN 92 2HG GLN 92 6.321 -5.936 -13.609 721 HE21 GLN 92 2HE2 GLN 92 8.365 -7.508 -12.201 722 HE22 GLN 92 1HE2 GLN 92 8.561 -8.950 -13.143 723 H GLN 93 H GLN 93 6.134 -3.237 -12.604 724 HA GLN 93 HA GLN 93 8.684 -2.753 -11.266 725 HB2 GLN 93 1HB GLN 93 7.886 -0.529 -11.857 726 HB3 GLN 93 2HB GLN 93 6.317 -0.874 -11.145 727 HG2 GLN 93 1HG GLN 93 7.302 -1.001 -8.945 728 HG3 GLN 93 2HG GLN 93 8.912 -0.775 -9.627 729 HE21 GLN 93 2HE2 GLN 93 7.420 0.800 -7.670 730 HE22 GLN 93 1HE2 GLN 93 7.372 2.404 -8.303 731 H THR 94 H THR 94 8.756 -3.600 -9.245 732 HA THR 94 HA THR 94 6.261 -4.791 -8.233 733 HB THR 94 HB THR 94 9.129 -5.663 -7.829 734 HG1 THR 94 HG1 THR 94 8.496 -6.506 -9.734 735 HG21 THR 94 3HG2 THR 94 7.835 -6.017 -5.775 736 HG22 THR 94 1HG2 THR 94 8.205 -7.552 -6.563 737 HG23 THR 94 2HG2 THR 94 6.590 -6.858 -6.701 738 H VAL 95 H VAL 95 5.467 -4.086 -6.393 739 HA VAL 95 HA VAL 95 7.233 -2.664 -4.503 740 HB VAL 95 HB VAL 95 4.322 -2.027 -5.044 741 HG11 VAL 95 1HG1 VAL 95 6.355 -0.618 -3.323 742 HG12 VAL 95 2HG1 VAL 95 5.011 -1.603 -2.744 743 HG13 VAL 95 3HG1 VAL 95 4.695 -0.096 -3.603 744 HG21 VAL 95 3HG2 VAL 95 5.125 0.065 -6.025 745 HG22 VAL 95 1HG2 VAL 95 5.696 -1.337 -6.927 746 HG23 VAL 95 2HG2 VAL 95 6.790 -0.485 -5.837 747 H ASP 96 H ASP 96 7.347 -3.742 -2.620 748 HA ASP 96 HA ASP 96 5.141 -5.557 -1.917 749 HB2 ASP 96 1HB ASP 96 7.466 -6.493 -2.021 750 HB3 ASP 96 2HB ASP 96 7.905 -5.426 -0.689 751 H VAL 97 H VAL 97 3.688 -4.740 -0.579 752 HA VAL 97 HA VAL 97 4.475 -2.513 1.154 753 HB VAL 97 HB VAL 97 1.675 -3.491 0.583 754 HG11 VAL 97 1HG1 VAL 97 0.991 -1.304 1.401 755 HG12 VAL 97 2HG1 VAL 97 2.676 -0.856 1.664 756 HG13 VAL 97 3HG1 VAL 97 1.946 -2.144 2.622 757 HG21 VAL 97 3HG2 VAL 97 3.195 -1.265 -0.777 758 HG22 VAL 97 1HG2 VAL 97 1.495 -1.663 -1.028 759 HG23 VAL 97 2HG2 VAL 97 2.749 -2.809 -1.505 760 H TYR 98 H TYR 98 5.018 -2.985 3.149 761 HA TYR 98 HA TYR 98 4.144 -5.453 4.402 762 HB2 TYR 98 1HB TYR 98 6.024 -3.267 5.314 763 HB3 TYR 98 2HB TYR 98 5.635 -4.685 6.276 764 HD1 TYR 98 HD1 TYR 98 7.397 -3.473 3.279 765 HD2 TYR 98 HD2 TYR 98 6.587 -6.830 5.764 766 HE1 TYR 98 HE1 TYR 98 9.246 -4.697 2.218 767 HE2 TYR 98 HE2 TYR 98 8.431 -8.067 4.708 768 HH TYR 98 HH TYR 98 10.757 -6.550 2.725 769 H PHE 99 H PHE 99 2.277 -5.502 5.453 770 HA PHE 99 HA PHE 99 1.510 -3.169 7.082 771 HB2 PHE 99 1HB PHE 99 -0.149 -5.555 6.223 772 HB3 PHE 99 2HB PHE 99 -0.729 -4.197 7.179 773 HD1 PHE 99 HD2 PHE 99 -0.483 -1.853 6.060 774 HD2 PHE 99 HD1 PHE 99 -0.449 -5.541 3.935 775 HE1 PHE 99 HE2 PHE 99 -1.143 -0.674 4.007 776 HE2 PHE 99 HE1 PHE 99 -1.115 -4.364 1.876 777 HZ PHE 99 HZ PHE 99 -1.462 -1.927 1.914 778 H GLN 100 H GLN 100 2.023 -3.364 9.202 779 HA GLN 100 HA GLN 100 2.396 -6.103 10.227 780 HB2 GLN 100 1HB GLN 100 4.382 -5.272 11.469 781 HB3 GLN 100 2HB GLN 100 4.574 -5.226 9.722 782 HG2 GLN 100 1HG GLN 100 4.047 -2.828 9.745 783 HG3 GLN 100 2HG GLN 100 3.923 -2.887 11.501 784 HE21 GLN 100 2HE2 GLN 100 6.072 -3.043 8.774 785 HE22 GLN 100 1HE2 GLN 100 7.540 -2.817 9.663 786 H ASP 101 H ASP 101 1.983 -6.481 12.358 787 HA ASP 101 HA ASP 101 0.397 -4.519 13.817 788 HB2 ASP 101 1HB ASP 101 1.277 -7.304 14.646 789 HB3 ASP 101 2HB ASP 101 0.108 -6.299 15.485 790 H SER 102 H SER 102 0.954 -4.004 16.068 791 HA SER 102 HA SER 102 3.731 -3.548 16.548 792 HB2 SER 102 1HB SER 102 2.865 -2.940 18.881 793 HB3 SER 102 2HB SER 102 2.220 -1.997 17.536 794 HG SER 102 HG SER 102 0.979 -4.054 19.034 795 H PHE 103 H PHE 103 1.878 -6.239 16.628 796 HA PHE 103 HA PHE 103 2.959 -7.593 18.919 797 HB2 PHE 103 1HB PHE 103 0.688 -8.027 17.981 798 HB3 PHE 103 2HB PHE 103 1.435 -8.668 16.526 799 HD1 PHE 103 HD2 PHE 103 0.735 -9.264 20.068 800 HD2 PHE 103 HD1 PHE 103 2.422 -10.865 16.504 801 HE1 PHE 103 HE2 PHE 103 0.750 -11.505 21.083 802 HE2 PHE 103 HE1 PHE 103 2.433 -13.106 17.510 803 HZ PHE 103 HZ PHE 103 1.598 -13.431 19.806 804 H GLY 104 H GLY 104 3.885 -7.056 15.648 805 HA2 GLY 104 1HA GLY 104 6.143 -7.585 14.958 806 HA3 GLY 104 2HA GLY 104 6.047 -9.050 15.928 807 H GLN 105 H GLN 105 3.165 -9.118 14.768 808 HA GLN 105 HA GLN 105 3.734 -10.935 12.617 809 HB2 GLN 105 1HB GLN 105 1.822 -11.095 14.298 810 HB3 GLN 105 2HB GLN 105 1.064 -9.774 13.425 811 HG2 GLN 105 1HG GLN 105 1.072 -11.175 11.387 812 HG3 GLN 105 2HG GLN 105 1.709 -12.508 12.352 813 HE21 GLN 105 2HE2 GLN 105 -0.698 -10.106 13.316 814 HE22 GLN 105 1HE2 GLN 105 -1.989 -11.245 13.527 815 H LEU 106 H LEU 106 3.351 -10.557 10.384 816 HA LEU 106 HA LEU 106 2.211 -8.001 9.639 817 HB2 LEU 106 1HB LEU 106 4.052 -7.343 8.199 818 HB3 LEU 106 2HB LEU 106 4.556 -7.445 9.870 819 HG LEU 106 HG LEU 106 5.381 -9.849 9.117 820 HD11 LEU 106 1HD1 LEU 106 5.492 -8.265 6.555 821 HD12 LEU 106 2HD1 LEU 106 4.462 -9.662 6.853 822 HD13 LEU 106 3HD1 LEU 106 6.216 -9.849 6.836 823 HD21 LEU 106 3HD2 LEU 106 6.814 -7.266 8.505 824 HD22 LEU 106 1HD2 LEU 106 7.580 -8.849 8.654 825 HD23 LEU 106 2HD2 LEU 106 6.794 -8.114 10.050 826 H GLN 107 H GLN 107 1.388 -7.885 7.604 827 HA GLN 107 HA GLN 107 1.554 -10.319 5.953 828 HB2 GLN 107 1HB GLN 107 -0.705 -10.084 6.831 829 HB3 GLN 107 2HB GLN 107 -0.767 -8.407 6.306 830 HG2 GLN 107 1HG GLN 107 -0.734 -9.083 3.994 831 HG3 GLN 107 2HG GLN 107 -0.529 -10.772 4.461 832 HE21 GLN 107 2HE2 GLN 107 -2.268 -11.908 5.291 833 HE22 GLN 107 1HE2 GLN 107 -3.894 -11.328 5.161 834 H GLN 108 H GLN 108 2.876 -9.874 4.313 835 HA GLN 108 HA GLN 108 3.032 -7.131 3.319 836 HB2 GLN 108 1HB GLN 108 5.071 -7.939 2.122 837 HB3 GLN 108 2HB GLN 108 5.167 -8.066 3.872 838 HG2 GLN 108 1HG GLN 108 4.647 -10.449 3.724 839 HG3 GLN 108 2HG GLN 108 4.569 -10.318 1.969 840 HE21 GLN 108 2HE2 GLN 108 6.802 -8.429 1.836 841 HE22 GLN 108 1HE2 GLN 108 8.226 -9.376 2.129 842 H LEU 109 H LEU 109 2.157 -6.545 1.472 843 HA LEU 109 HA LEU 109 1.138 -8.662 -0.291 844 HB2 LEU 109 1HB LEU 109 0.285 -5.774 -0.054 845 HB3 LEU 109 2HB LEU 109 -0.385 -6.931 -1.188 846 HG LEU 109 HG LEU 109 -0.594 -7.059 1.824 847 HD11 LEU 109 1HD1 LEU 109 -2.952 -6.684 1.478 848 HD12 LEU 109 2HD1 LEU 109 -2.722 -6.645 -0.270 849 HD13 LEU 109 3HD1 LEU 109 -2.033 -5.376 0.738 850 HD21 LEU 109 3HD2 LEU 109 -0.383 -9.291 0.845 851 HD22 LEU 109 1HD2 LEU 109 -1.707 -8.933 -0.263 852 HD23 LEU 109 2HD2 LEU 109 -2.007 -9.014 1.473 853 H THR 110 H THR 110 2.339 -9.060 -1.982 854 HA THR 110 HA THR 110 4.233 -7.058 -2.935 855 HB THR 110 HB THR 110 3.950 -9.865 -3.996 856 HG1 THR 110 HG1 THR 110 5.195 -8.984 -1.579 857 HG21 THR 110 3HG2 THR 110 6.344 -9.628 -4.411 858 HG22 THR 110 1HG2 THR 110 6.324 -8.025 -3.676 859 HG23 THR 110 2HG2 THR 110 5.447 -8.316 -5.178 860 H PHE 111 H PHE 111 3.533 -5.705 -4.474 861 HA PHE 111 HA PHE 111 1.621 -6.713 -6.475 862 HB2 PHE 111 1HB PHE 111 2.372 -3.867 -5.758 863 HB3 PHE 111 2HB PHE 111 1.221 -4.326 -7.007 864 HD1 PHE 111 HD2 PHE 111 -0.928 -5.368 -6.381 865 HD2 PHE 111 HD1 PHE 111 1.773 -3.836 -3.472 866 HE1 PHE 111 HE2 PHE 111 -2.740 -5.351 -4.715 867 HE2 PHE 111 HE1 PHE 111 -0.033 -3.815 -1.800 868 HZ PHE 111 HZ PHE 111 -2.292 -4.574 -2.422 869 H SER 112 H SER 112 2.532 -7.367 -8.317 870 HA SER 112 HA SER 112 4.815 -5.820 -9.335 871 HB2 SER 112 1HB SER 112 3.871 -8.610 -10.036 872 HB3 SER 112 2HB SER 112 5.175 -7.766 -10.873 873 HG SER 112 HG SER 112 6.327 -7.702 -8.915 874 H PHE 113 H PHE 113 4.157 -4.249 -10.606 875 HA PHE 113 HA PHE 113 1.601 -4.429 -11.947 876 HB2 PHE 113 1HB PHE 113 3.637 -2.196 -11.810 877 HB3 PHE 113 2HB PHE 113 2.073 -2.072 -12.611 878 HD1 PHE 113 HD2 PHE 113 0.006 -2.076 -11.305 879 HD2 PHE 113 HD1 PHE 113 3.826 -2.121 -9.428 880 HE1 PHE 113 HE2 PHE 113 -1.035 -1.409 -9.181 881 HE2 PHE 113 HE1 PHE 113 2.789 -1.453 -7.297 882 HZ PHE 113 HZ PHE 113 0.354 -1.095 -7.174 883 H ASN 114 H ASN 114 1.418 -5.355 -13.828 884 HA ASN 114 HA ASN 114 3.112 -4.607 -16.025 885 HB2 ASN 114 1HB ASN 114 3.841 -6.828 -16.638 886 HB3 ASN 114 2HB ASN 114 4.374 -6.502 -14.994 887 HD21 ASN 114 2HD2 ASN 114 3.341 -7.570 -13.273 888 HD22 ASN 114 1HD2 ASN 114 2.451 -9.030 -13.525 889 H ASN 115 H ASN 115 2.161 -5.085 -18.038 890 HA ASN 115 HA ASN 115 -0.722 -5.342 -17.828 891 HB2 ASN 115 1HB ASN 115 0.196 -3.561 -19.222 892 HB3 ASN 115 2HB ASN 115 1.054 -4.745 -20.203 893 HD21 ASN 115 2HD2 ASN 115 0.048 -4.148 -22.078 894 HD22 ASN 115 1HD2 ASN 115 -1.625 -4.482 -22.401 895 H ASP 116 H ASP 116 -1.700 -7.228 -17.988 896 HA ASP 116 HA ASP 116 -0.498 -9.631 -18.766 897 HB2 ASP 116 1HB ASP 116 -3.378 -8.806 -18.496 898 HB3 ASP 116 2HB ASP 116 -2.934 -10.419 -19.044 899 H SER 117 H SER 117 0.164 -10.224 -20.658 900 HA SER 117 HA SER 117 -1.435 -10.164 -22.988 901 HB2 SER 117 1HB SER 117 0.123 -8.655 -24.317 902 HB3 SER 117 2HB SER 117 -0.920 -7.836 -23.154 903 HG SER 117 HG SER 117 0.836 -7.739 -21.721 904 H SER 118 H SER 118 1.730 -10.461 -21.516 905 HA SER 118 HA SER 118 2.592 -12.238 -23.674 906 HB2 SER 118 1HB SER 118 4.243 -11.107 -21.410 907 HB3 SER 118 2HB SER 118 4.835 -11.904 -22.867 908 HG SER 118 HG SER 118 3.209 -9.794 -23.436 909 H LYS 119 H LYS 119 1.589 -14.191 -23.153 910 HA LYS 119 HA LYS 119 2.333 -15.484 -20.663 911 HB2 LYS 119 1HB LYS 119 0.191 -16.070 -21.726 912 HB3 LYS 119 2HB LYS 119 1.039 -16.590 -23.175 913 HG2 LYS 119 1HG LYS 119 2.016 -18.439 -22.025 914 HG3 LYS 119 2HG LYS 119 1.415 -17.857 -20.472 915 HD2 LYS 119 1HD LYS 119 -0.404 -18.606 -22.755 916 HD3 LYS 119 2HD LYS 119 0.125 -19.764 -21.532 917 HE2 LYS 119 1HE LYS 119 -0.843 -18.330 -19.783 918 HE3 LYS 119 2HE LYS 119 -1.400 -17.209 -21.025 919 HZ1 LYS 119 3HZ LYS 119 -2.910 -18.800 -21.858 920 HZ2 LYS 119 1HZ LYS 119 -3.086 -18.846 -20.171 921 HZ3 LYS 119 2HZ LYS 119 -2.215 -20.063 -20.966 922 H GLU 120 H GLU 120 3.940 -17.117 -20.505 923 HA GLU 120 HA GLU 120 6.329 -16.415 -21.659 924 HB2 GLU 120 1HB GLU 120 5.767 -19.251 -20.820 925 HB3 GLU 120 2HB GLU 120 7.296 -18.387 -20.759 926 HG2 GLU 120 1HG GLU 120 6.763 -18.212 -18.586 927 HG3 GLU 120 2HG GLU 120 5.850 -16.815 -19.157 928 H GLU 121 H GLU 121 4.542 -19.381 -22.531 929 HA GLU 121 HA GLU 121 5.138 -18.892 -25.317 930 HB2 GLU 121 1HB GLU 121 6.038 -21.240 -25.608 931 HB3 GLU 121 2HB GLU 121 7.116 -20.081 -24.842 932 HG2 GLU 121 1HG GLU 121 6.456 -21.006 -22.636 933 HG3 GLU 121 2HG GLU 121 5.517 -22.237 -23.483 934 H GLU 122 H GLU 122 2.899 -18.625 -25.365 935 HA GLU 122 HA GLU 122 1.035 -20.617 -24.653 936 HB2 GLU 122 1HB GLU 122 0.415 -18.271 -25.015 937 HB3 GLU 122 2HB GLU 122 0.844 -18.405 -26.714 938 HG2 GLU 122 1HG GLU 122 -0.950 -20.004 -27.058 939 HG3 GLU 122 2HG GLU 122 -1.360 -19.925 -25.343 940 H LEU 123 H LEU 123 1.054 -22.600 -25.463 941 HA LEU 123 HA LEU 123 2.338 -23.182 -27.951 942 HB2 LEU 123 1HB LEU 123 0.843 -24.970 -26.038 943 HB3 LEU 123 2HB LEU 123 1.746 -25.532 -27.432 944 HG LEU 123 HG LEU 123 2.920 -24.093 -25.048 945 HD11 LEU 123 1HD1 LEU 123 2.217 -26.374 -24.534 946 HD12 LEU 123 2HD1 LEU 123 3.974 -26.235 -24.555 947 HD13 LEU 123 3HD1 LEU 123 3.132 -26.972 -25.919 948 HD21 LEU 123 3HD2 LEU 123 4.259 -25.303 -27.467 949 HD22 LEU 123 1HD2 LEU 123 5.079 -24.613 -26.066 950 HD23 LEU 123 2HD2 LEU 123 4.111 -23.581 -27.119 951 H GLU 124 H GLU 124 0.833 -21.786 -29.152 952 HA GLU 124 HA GLU 124 -1.277 -23.486 -30.281 953 HB2 GLU 124 1HB GLU 124 -2.704 -21.512 -30.619 954 HB3 GLU 124 2HB GLU 124 -2.382 -21.790 -28.915 955 HG2 GLU 124 1HG GLU 124 -2.039 -19.565 -28.943 956 HG3 GLU 124 2HG GLU 124 -0.417 -20.064 -29.424 957 H HIS 125 H HIS 125 1.602 -22.353 -30.729 958 HA HIS 125 HA HIS 125 1.270 -21.481 -33.523 959 HB2 HIS 125 1HB HIS 125 3.797 -21.594 -31.837 960 HB3 HIS 125 2HB HIS 125 3.644 -20.869 -33.431 961 HD1 HIS 125 HD1 HIS 125 3.623 -18.398 -33.284 962 HD2 HIS 125 HD2 HIS 125 1.842 -20.157 -29.960 963 HE1 HIS 125 HE1 HIS 125 2.877 -16.495 -31.825 964 HE2 HIS 125 HE2 HIS 125 1.666 -17.579 -29.897 965 H HIS 126 H HIS 126 0.749 -24.149 -32.502 966 HA HIS 126 HA HIS 126 2.964 -25.867 -32.635 967 HB2 HIS 126 1HB HIS 126 0.736 -26.247 -31.479 968 HB3 HIS 126 2HB HIS 126 0.090 -26.670 -33.059 969 HD1 HIS 126 HD1 HIS 126 2.461 -27.892 -30.410 970 HD2 HIS 126 HD2 HIS 126 0.746 -29.210 -33.965 971 HE1 HIS 126 HE1 HIS 126 2.966 -30.349 -30.538 972 HE2 HIS 126 HE2 HIS 126 1.832 -31.152 -32.643 973 H HIS 127 H HIS 127 0.548 -24.984 -35.075 974 HA HIS 127 HA HIS 127 1.501 -26.872 -37.009 975 HB2 HIS 127 1HB HIS 127 -0.278 -24.448 -37.261 976 HB3 HIS 127 2HB HIS 127 0.133 -25.482 -38.624 977 HD1 HIS 127 HD1 HIS 127 -2.584 -24.974 -36.567 978 HD2 HIS 127 HD2 HIS 127 -0.439 -28.395 -37.581 979 HE1 HIS 127 HE1 HIS 127 -4.129 -26.911 -36.109 980 HE2 HIS 127 HE2 HIS 127 -2.737 -28.972 -36.548 981 H HIS 128 H HIS 128 2.692 -23.981 -35.853 982 HA HIS 128 HA HIS 128 4.548 -22.814 -36.286 983 HB2 HIS 128 1HB HIS 128 5.078 -25.201 -38.014 984 HB3 HIS 128 2HB HIS 128 6.189 -23.836 -37.998 985 HD1 HIS 128 HD1 HIS 128 6.756 -26.793 -36.889 986 HD2 HIS 128 HD2 HIS 128 5.887 -23.397 -34.650 987 HE1 HIS 128 HE1 HIS 128 7.702 -27.226 -34.600 988 HE2 HIS 128 HE2 HIS 128 7.386 -25.056 -33.353 989 H HIS 129 H HIS 129 3.537 -21.042 -37.031 990 HA HIS 129 HA HIS 129 4.117 -20.511 -39.870 991 HB2 HIS 129 1HB HIS 129 1.722 -20.230 -39.518 992 HB3 HIS 129 2HB HIS 129 2.008 -19.251 -38.086 993 HD1 HIS 129 HD1 HIS 129 2.259 -16.771 -38.410 994 HD2 HIS 129 HD2 HIS 129 2.408 -18.889 -41.995 995 HE1 HIS 129 HE1 HIS 129 2.178 -15.038 -40.234 996 HE2 HIS 129 HE2 HIS 129 2.399 -16.331 -42.388 997 H HIS 130 H HIS 130 3.694 -18.977 -36.728 998 HA HIS 130 HA HIS 130 6.424 -18.505 -36.339 999 HB2 HIS 130 1HB HIS 130 6.026 -16.664 -37.991 1000 HB3 HIS 130 2HB HIS 130 4.827 -15.988 -36.891 1001 HD1 HIS 130 HD1 HIS 130 8.221 -17.364 -35.919 1002 HD2 HIS 130 HD2 HIS 130 6.156 -13.753 -36.029 1003 HE1 HIS 130 HE1 HIS 130 9.713 -15.695 -34.781 1004 HE2 HIS 130 HE2 HIS 130 8.349 -13.584 -34.657 Start of MODEL 16 1 H1 MET 1 1H MET 1 -13.641 -16.555 -5.290 2 H2 MET 1 2H MET 1 -12.316 -17.437 -5.872 3 H3 MET 1 3H MET 1 -12.243 -16.709 -4.343 4 HA MET 1 HA MET 1 -13.954 -18.150 -3.511 5 HB2 MET 1 1HB MET 1 -13.889 -19.262 -6.321 6 HB3 MET 1 2HB MET 1 -14.620 -20.109 -4.968 7 HG2 MET 1 1HG MET 1 -16.324 -19.002 -6.233 8 HG3 MET 1 2HG MET 1 -16.172 -18.227 -4.659 9 HE1 MET 1 3HE MET 1 -17.685 -16.977 -7.215 10 HE2 MET 1 1HE MET 1 -17.166 -15.294 -7.096 11 HE3 MET 1 2HE MET 1 -17.612 -16.184 -5.639 12 H ASN 2 H ASN 2 -10.909 -17.961 -4.237 13 HA ASN 2 HA ASN 2 -10.267 -20.762 -3.595 14 HB2 ASN 2 1HB ASN 2 -8.659 -18.635 -5.002 15 HB3 ASN 2 2HB ASN 2 -7.913 -20.087 -4.345 16 HD21 ASN 2 2HD2 ASN 2 -7.277 -20.835 -6.343 17 HD22 ASN 2 1HD2 ASN 2 -8.394 -21.468 -7.501 18 H ASP 3 H ASP 3 -10.572 -20.627 -1.418 19 HA ASP 3 HA ASP 3 -8.876 -18.704 0.052 20 HB2 ASP 3 1HB ASP 3 -11.456 -18.650 0.268 21 HB3 ASP 3 2HB ASP 3 -11.270 -20.128 1.204 22 H ASP 4 H ASP 4 -9.737 -22.013 -0.447 23 HA ASP 4 HA ASP 4 -8.860 -23.995 0.225 24 HB2 ASP 4 1HB ASP 4 -6.689 -22.731 -0.320 25 HB3 ASP 4 2HB ASP 4 -6.528 -22.474 1.413 26 H VAL 5 H VAL 5 -7.429 -24.714 2.544 27 HA VAL 5 HA VAL 5 -9.156 -23.716 4.701 28 HB VAL 5 HB VAL 5 -9.922 -25.941 4.193 29 HG11 VAL 5 1HG1 VAL 5 -8.476 -27.913 4.319 30 HG12 VAL 5 2HG1 VAL 5 -7.075 -26.867 4.545 31 HG13 VAL 5 3HG1 VAL 5 -7.978 -26.817 3.032 32 HG21 VAL 5 3HG2 VAL 5 -8.233 -25.956 6.689 33 HG22 VAL 5 1HG2 VAL 5 -9.564 -27.058 6.344 34 HG23 VAL 5 2HG2 VAL 5 -9.876 -25.334 6.542 35 H ASP 6 H ASP 6 -7.802 -22.349 5.656 36 HA ASP 6 HA ASP 6 -4.964 -22.965 5.791 37 HB2 ASP 6 1HB ASP 6 -5.994 -20.706 5.105 38 HB3 ASP 6 2HB ASP 6 -6.285 -20.463 6.822 39 H ILE 7 H ILE 7 -3.851 -22.207 7.876 40 HA ILE 7 HA ILE 7 -5.062 -23.702 10.080 41 HB ILE 7 HB ILE 7 -2.819 -23.538 11.120 42 HG12 ILE 7 1HG1 ILE 7 -2.023 -22.187 8.528 43 HG13 ILE 7 2HG1 ILE 7 -2.168 -21.372 10.082 44 HG21 ILE 7 1HG2 ILE 7 -2.839 -24.567 8.285 45 HG22 ILE 7 2HG2 ILE 7 -3.373 -25.444 9.720 46 HG23 ILE 7 3HG2 ILE 7 -1.671 -25.016 9.527 47 HD11 ILE 7 3HD1 ILE 7 -0.372 -22.759 10.971 48 HD12 ILE 7 1HD1 ILE 7 0.146 -21.853 9.551 49 HD13 ILE 7 2HD1 ILE 7 -0.230 -23.571 9.412 50 H GLN 8 H GLN 8 -6.188 -21.206 9.429 51 HA GLN 8 HA GLN 8 -5.170 -19.047 10.911 52 HB2 GLN 8 1HB GLN 8 -7.436 -18.060 10.569 53 HB3 GLN 8 2HB GLN 8 -6.668 -18.637 9.099 54 HG2 GLN 8 1HG GLN 8 -8.022 -20.700 9.251 55 HG3 GLN 8 2HG GLN 8 -8.848 -20.012 10.646 56 HE21 GLN 8 2HE2 GLN 8 -10.239 -18.266 10.360 57 HE22 GLN 8 1HE2 GLN 8 -10.867 -17.841 8.797 58 H GLN 9 H GLN 9 -4.898 -19.041 13.020 59 HA GLN 9 HA GLN 9 -7.157 -19.728 14.737 60 HB2 GLN 9 1HB GLN 9 -5.696 -20.967 16.277 61 HB3 GLN 9 2HB GLN 9 -5.766 -21.731 14.694 62 HG2 GLN 9 1HG GLN 9 -3.609 -20.498 14.174 63 HG3 GLN 9 2HG GLN 9 -3.523 -20.148 15.900 64 HE21 GLN 9 2HE2 GLN 9 -4.814 -22.742 16.535 65 HE22 GLN 9 1HE2 GLN 9 -3.563 -23.928 16.341 66 H SER 10 H SER 10 -6.586 -19.045 17.081 67 HA SER 10 HA SER 10 -6.466 -17.235 18.434 68 HB2 SER 10 1HB SER 10 -4.218 -16.119 18.551 69 HB3 SER 10 2HB SER 10 -4.158 -17.877 18.645 70 HG SER 10 HG SER 10 -3.974 -17.124 16.082 71 H TYR 11 H TYR 11 -7.651 -16.864 15.837 72 HA TYR 11 HA TYR 11 -8.292 -15.388 14.265 73 HB2 TYR 11 1HB TYR 11 -9.342 -14.361 16.273 74 HB3 TYR 11 2HB TYR 11 -7.925 -13.325 16.445 75 HD1 TYR 11 HD1 TYR 11 -10.738 -14.168 14.184 76 HD2 TYR 11 HD2 TYR 11 -7.698 -11.347 15.145 77 HE1 TYR 11 HE1 TYR 11 -11.696 -12.591 12.564 78 HE2 TYR 11 HE2 TYR 11 -8.659 -9.762 13.527 79 HH TYR 11 HH TYR 11 -10.055 -9.886 11.455 80 HA PRO 12 HA PRO 12 -4.299 -13.810 12.819 81 HB2 PRO 12 1HB PRO 12 -4.591 -14.649 10.289 82 HB3 PRO 12 2HB PRO 12 -4.098 -15.761 11.572 83 HG2 PRO 12 1HG PRO 12 -6.788 -15.376 10.322 84 HG3 PRO 12 2HG PRO 12 -5.968 -16.880 10.780 85 HD2 PRO 12 1HD PRO 12 -7.905 -15.652 12.297 86 HD3 PRO 12 2HD PRO 12 -6.663 -16.735 12.951 87 H PHE 13 H PHE 13 -3.882 -12.146 11.212 88 HA PHE 13 HA PHE 13 -6.263 -10.514 10.746 89 HB2 PHE 13 1HB PHE 13 -3.323 -9.833 10.726 90 HB3 PHE 13 2HB PHE 13 -4.578 -8.703 10.228 91 HD1 PHE 13 HD1 PHE 13 -3.218 -10.609 13.070 92 HD2 PHE 13 HD2 PHE 13 -5.921 -7.570 11.817 93 HE1 PHE 13 HE1 PHE 13 -3.542 -9.936 15.413 94 HE2 PHE 13 HE2 PHE 13 -6.249 -6.896 14.159 95 HZ PHE 13 HZ PHE 13 -5.061 -8.077 15.960 96 H SER 14 H SER 14 -6.930 -9.903 8.769 97 HA SER 14 HA SER 14 -5.461 -11.000 6.470 98 HB2 SER 14 1HB SER 14 -8.469 -10.850 6.794 99 HB3 SER 14 2HB SER 14 -7.603 -11.511 5.408 100 HG SER 14 HG SER 14 -6.681 -12.723 7.571 101 H ILE 15 H ILE 15 -4.856 -9.501 5.058 102 HA ILE 15 HA ILE 15 -6.207 -6.888 5.090 103 HB ILE 15 HB ILE 15 -3.679 -7.523 3.582 104 HG12 ILE 15 1HG1 ILE 15 -3.205 -8.143 5.885 105 HG13 ILE 15 2HG1 ILE 15 -2.397 -6.627 5.509 106 HG21 ILE 15 1HG2 ILE 15 -3.300 -5.128 3.754 107 HG22 ILE 15 2HG2 ILE 15 -4.774 -4.951 4.706 108 HG23 ILE 15 3HG2 ILE 15 -4.868 -5.466 3.022 109 HD11 ILE 15 3HD1 ILE 15 -4.123 -5.402 6.694 110 HD12 ILE 15 1HD1 ILE 15 -3.367 -6.612 7.731 111 HD13 ILE 15 2HD1 ILE 15 -4.962 -6.912 7.042 112 H GLU 16 H GLU 16 -7.883 -6.902 3.721 113 HA GLU 16 HA GLU 16 -7.709 -8.416 1.235 114 HB2 GLU 16 1HB GLU 16 -9.755 -8.626 2.588 115 HB3 GLU 16 2HB GLU 16 -10.030 -6.895 2.447 116 HG2 GLU 16 1HG GLU 16 -10.414 -7.080 0.095 117 HG3 GLU 16 2HG GLU 16 -9.929 -8.775 0.100 118 H THR 17 H THR 17 -7.514 -7.512 -0.737 119 HA THR 17 HA THR 17 -7.475 -4.572 -0.870 120 HB THR 17 HB THR 17 -5.684 -4.943 -2.690 121 HG1 THR 17 HG1 THR 17 -4.717 -7.133 -1.380 122 HG21 THR 17 3HG2 THR 17 -5.039 -5.447 0.218 123 HG22 THR 17 1HG2 THR 17 -5.205 -3.869 -0.557 124 HG23 THR 17 2HG2 THR 17 -3.882 -4.942 -1.014 125 H MET 18 H MET 18 -8.275 -3.627 -2.720 126 HA MET 18 HA MET 18 -9.935 -5.311 -4.402 127 HB2 MET 18 1HB MET 18 -9.614 -2.337 -4.090 128 HB3 MET 18 2HB MET 18 -10.484 -3.010 -5.460 129 HG2 MET 18 1HG MET 18 -12.044 -2.398 -3.743 130 HG3 MET 18 2HG MET 18 -12.012 -4.151 -3.911 131 HE1 MET 18 3HE MET 18 -13.346 -2.752 -1.399 132 HE2 MET 18 1HE MET 18 -12.719 -3.762 -0.096 133 HE3 MET 18 2HE MET 18 -13.233 -4.500 -1.613 134 HA PRO 19 HA PRO 19 -7.165 -5.942 -7.729 135 HB2 PRO 19 1HB PRO 19 -9.436 -5.222 -9.510 136 HB3 PRO 19 2HB PRO 19 -8.434 -6.677 -9.493 137 HG2 PRO 19 1HG PRO 19 -10.921 -6.738 -8.550 138 HG3 PRO 19 2HG PRO 19 -9.620 -7.633 -7.741 139 HD2 PRO 19 1HD PRO 19 -10.914 -5.053 -6.965 140 HD3 PRO 19 2HD PRO 19 -10.357 -6.391 -5.937 141 H VAL 20 H VAL 20 -5.845 -4.818 -9.102 142 HA VAL 20 HA VAL 20 -6.424 -1.946 -9.425 143 HB VAL 20 HB VAL 20 -3.991 -1.522 -9.270 144 HG11 VAL 20 1HG1 VAL 20 -3.785 -1.834 -6.853 145 HG12 VAL 20 2HG1 VAL 20 -5.143 -2.960 -6.881 146 HG13 VAL 20 3HG1 VAL 20 -5.396 -1.263 -7.294 147 HG21 VAL 20 3HG2 VAL 20 -2.515 -3.282 -8.365 148 HG22 VAL 20 1HG2 VAL 20 -3.140 -3.686 -9.965 149 HG23 VAL 20 2HG2 VAL 20 -3.828 -4.445 -8.530 150 HA PRO 21 HA PRO 21 -5.792 -2.305 -13.786 151 HB2 PRO 21 1HB PRO 21 -4.028 0.066 -13.675 152 HB3 PRO 21 2HB PRO 21 -5.537 -0.173 -14.560 153 HG2 PRO 21 1HG PRO 21 -5.415 1.399 -12.393 154 HG3 PRO 21 2HG PRO 21 -6.849 0.420 -12.758 155 HD2 PRO 21 1HD PRO 21 -4.685 -0.056 -10.749 156 HD3 PRO 21 2HD PRO 21 -6.428 -0.372 -10.627 157 H LYS 22 H LYS 22 -4.323 -3.127 -15.242 158 HA LYS 22 HA LYS 22 -1.861 -4.095 -14.033 159 HB2 LYS 22 1HB LYS 22 -3.110 -4.776 -16.698 160 HB3 LYS 22 2HB LYS 22 -1.769 -5.623 -15.933 161 HG2 LYS 22 1HG LYS 22 -3.216 -6.308 -14.108 162 HG3 LYS 22 2HG LYS 22 -4.563 -5.425 -14.828 163 HD2 LYS 22 1HD LYS 22 -4.419 -6.868 -16.814 164 HD3 LYS 22 2HD LYS 22 -3.113 -7.772 -16.044 165 HE2 LYS 22 1HE LYS 22 -4.639 -8.359 -14.199 166 HE3 LYS 22 2HE LYS 22 -5.940 -7.503 -15.027 167 HZ1 LYS 22 3HZ LYS 22 -6.034 -9.882 -15.430 168 HZ2 LYS 22 1HZ LYS 22 -4.470 -9.858 -16.088 169 HZ3 LYS 22 2HZ LYS 22 -5.738 -9.044 -16.874 170 H LYS 23 H LYS 23 -2.917 -2.207 -16.828 171 HA LYS 23 HA LYS 23 -0.128 -1.451 -17.339 172 HB2 LYS 23 1HB LYS 23 -2.647 -0.926 -18.923 173 HB3 LYS 23 2HB LYS 23 -1.065 -0.299 -19.356 174 HG2 LYS 23 1HG LYS 23 -0.261 -2.667 -19.480 175 HG3 LYS 23 2HG LYS 23 -1.940 -3.173 -19.289 176 HD2 LYS 23 1HD LYS 23 -2.552 -1.918 -21.294 177 HD3 LYS 23 2HD LYS 23 -0.877 -1.399 -21.483 178 HE2 LYS 23 1HE LYS 23 -0.218 -3.784 -21.665 179 HE3 LYS 23 2HE LYS 23 -1.926 -4.217 -21.632 180 HZ1 LYS 23 3HZ LYS 23 -1.180 -4.140 -23.891 181 HZ2 LYS 23 1HZ LYS 23 -0.555 -2.576 -23.693 182 HZ3 LYS 23 2HZ LYS 23 -2.228 -2.832 -23.634 183 H LEU 24 H LEU 24 0.564 0.187 -16.149 184 HA LEU 24 HA LEU 24 -1.244 2.474 -15.743 185 HB2 LEU 24 1HB LEU 24 0.912 1.395 -13.929 186 HB3 LEU 24 2HB LEU 24 0.156 2.962 -13.707 187 HG LEU 24 HG LEU 24 -1.283 0.310 -13.623 188 HD11 LEU 24 1HD1 LEU 24 0.181 0.591 -11.714 189 HD12 LEU 24 2HD1 LEU 24 -1.502 0.798 -11.224 190 HD13 LEU 24 3HD1 LEU 24 -0.462 2.208 -11.430 191 HD21 LEU 24 3HD2 LEU 24 -2.235 3.114 -13.044 192 HD22 LEU 24 1HD2 LEU 24 -3.167 1.636 -12.800 193 HD23 LEU 24 2HD2 LEU 24 -2.700 2.123 -14.428 194 H LYS 25 H LYS 25 -0.648 4.269 -16.700 195 HA LYS 25 HA LYS 25 2.023 4.491 -17.836 196 HB2 LYS 25 1HB LYS 25 1.128 6.614 -18.825 197 HB3 LYS 25 2HB LYS 25 0.235 5.172 -19.280 198 HG2 LYS 25 1HG LYS 25 -1.515 5.716 -17.698 199 HG3 LYS 25 2HG LYS 25 -0.604 7.120 -17.137 200 HD2 LYS 25 1HD LYS 25 -0.761 8.112 -19.368 201 HD3 LYS 25 2HD LYS 25 -1.657 6.704 -19.935 202 HE2 LYS 25 1HE LYS 25 -2.593 8.428 -17.654 203 HE3 LYS 25 2HE LYS 25 -3.022 8.749 -19.332 204 HZ1 LYS 25 3HZ LYS 25 -3.650 6.260 -17.821 205 HZ2 LYS 25 1HZ LYS 25 -4.032 6.550 -19.451 206 HZ3 LYS 25 2HZ LYS 25 -4.744 7.488 -18.234 207 H VAL 26 H VAL 26 3.171 6.663 -17.571 208 HA VAL 26 HA VAL 26 3.643 6.997 -14.776 209 HB VAL 26 HB VAL 26 4.684 8.700 -17.049 210 HG11 VAL 26 1HG1 VAL 26 4.971 9.777 -14.903 211 HG12 VAL 26 2HG1 VAL 26 6.532 9.194 -15.482 212 HG13 VAL 26 3HG1 VAL 26 5.670 8.306 -14.225 213 HG21 VAL 26 3HG2 VAL 26 5.234 6.361 -17.422 214 HG22 VAL 26 1HG2 VAL 26 5.872 6.232 -15.783 215 HG23 VAL 26 2HG2 VAL 26 6.678 7.265 -16.964 216 H GLY 27 H GLY 27 2.749 8.393 -13.397 217 HA2 GLY 27 1HA GLY 27 1.784 10.441 -12.723 218 HA3 GLY 27 2HA GLY 27 1.464 10.822 -14.410 219 H GLU 28 H GLU 28 0.557 7.696 -13.970 220 HA GLU 28 HA GLU 28 -2.251 8.436 -13.765 221 HB2 GLU 28 1HB GLU 28 -1.452 6.877 -15.537 222 HB3 GLU 28 2HB GLU 28 -0.982 5.739 -14.285 223 HG2 GLU 28 1HG GLU 28 -3.197 5.265 -13.720 224 HG3 GLU 28 2HG GLU 28 -3.806 6.703 -14.544 225 H THR 29 H THR 29 -3.642 7.598 -12.173 226 HA THR 29 HA THR 29 -2.221 6.774 -9.734 227 HB THR 29 HB THR 29 -4.826 8.296 -9.957 228 HG1 THR 29 HG1 THR 29 -2.517 9.247 -10.386 229 HG21 THR 29 3HG2 THR 29 -4.603 8.611 -7.542 230 HG22 THR 29 1HG2 THR 29 -3.142 7.623 -7.541 231 HG23 THR 29 2HG2 THR 29 -4.696 6.896 -7.947 232 H ALA 30 H ALA 30 -2.535 4.739 -9.213 233 HA ALA 30 HA ALA 30 -5.127 3.471 -9.797 234 HB1 ALA 30 3HB ALA 30 -3.989 1.345 -9.450 235 HB2 ALA 30 1HB ALA 30 -2.507 2.191 -9.011 236 HB3 ALA 30 2HB ALA 30 -3.134 2.308 -10.656 237 H GLU 31 H GLU 31 -6.526 3.434 -8.141 238 HA GLU 31 HA GLU 31 -5.604 3.974 -5.463 239 HB2 GLU 31 1HB GLU 31 -7.691 4.988 -6.197 240 HB3 GLU 31 2HB GLU 31 -8.375 3.401 -6.526 241 HG2 GLU 31 1HG GLU 31 -8.286 2.840 -4.171 242 HG3 GLU 31 2HG GLU 31 -7.530 4.389 -3.810 243 H ILE 32 H ILE 32 -4.705 2.406 -4.347 244 HA ILE 32 HA ILE 32 -5.683 -0.334 -4.601 245 HB ILE 32 HB ILE 32 -3.410 0.695 -2.886 246 HG12 ILE 32 1HG1 ILE 32 -3.310 -0.557 -5.643 247 HG13 ILE 32 2HG1 ILE 32 -2.993 1.136 -5.279 248 HG21 ILE 32 1HG2 ILE 32 -4.142 -2.089 -3.794 249 HG22 ILE 32 2HG2 ILE 32 -4.315 -1.443 -2.162 250 HG23 ILE 32 3HG2 ILE 32 -2.710 -1.658 -2.856 251 HD11 ILE 32 3HD1 ILE 32 -0.940 -0.133 -5.616 252 HD12 ILE 32 1HD1 ILE 32 -1.378 -1.197 -4.278 253 HD13 ILE 32 2HD1 ILE 32 -1.045 0.509 -3.977 254 H ARG 33 H ARG 33 -7.600 -0.434 -3.536 255 HA ARG 33 HA ARG 33 -7.978 0.844 -0.989 256 HB2 ARG 33 1HB ARG 33 -9.706 -1.184 -2.415 257 HB3 ARG 33 2HB ARG 33 -10.171 -0.260 -0.993 258 HG2 ARG 33 1HG ARG 33 -9.920 1.815 -2.293 259 HG3 ARG 33 2HG ARG 33 -9.552 0.844 -3.723 260 HD2 ARG 33 1HD ARG 33 -11.864 1.433 -3.807 261 HD3 ARG 33 2HD ARG 33 -11.750 -0.284 -3.426 262 HE ARG 33 HE ARG 33 -12.328 0.240 -1.150 263 HH11 ARG 33 1HH1 ARG 33 -12.744 2.838 -3.456 264 HH12 ARG 33 2HH1 ARG 33 -13.866 3.716 -2.461 265 HH21 ARG 33 1HH2 ARG 33 -13.799 1.376 0.162 266 HH22 ARG 33 2HH2 ARG 33 -14.477 2.885 -0.404 267 H CYS 34 H CYS 34 -7.640 0.017 0.940 268 HA CYS 34 HA CYS 34 -6.884 -2.823 1.091 269 HB2 CYS 34 1HB CYS 34 -5.527 -0.558 2.565 270 HB3 CYS 34 2HB CYS 34 -5.074 -2.260 2.604 271 HG CYS 34 HG CYS 34 -4.961 -0.374 -0.246 272 H GLN 35 H GLN 35 -7.944 -3.932 2.571 273 HA GLN 35 HA GLN 35 -9.283 -2.459 4.743 274 HB2 GLN 35 1HB GLN 35 -10.180 -4.923 3.237 275 HB3 GLN 35 2HB GLN 35 -10.979 -4.306 4.677 276 HG2 GLN 35 1HG GLN 35 -10.579 -2.512 2.336 277 HG3 GLN 35 2HG GLN 35 -11.868 -3.711 2.305 278 HE21 GLN 35 2HE2 GLN 35 -10.826 -2.169 5.256 279 HE22 GLN 35 1HE2 GLN 35 -12.267 -1.249 5.506 280 H LEU 36 H LEU 36 -8.233 -2.823 6.577 281 HA LEU 36 HA LEU 36 -7.001 -5.417 7.064 282 HB2 LEU 36 1HB LEU 36 -5.825 -3.337 7.739 283 HB3 LEU 36 2HB LEU 36 -7.136 -2.977 8.846 284 HG LEU 36 HG LEU 36 -5.768 -5.595 9.190 285 HD11 LEU 36 1HD1 LEU 36 -4.526 -2.962 9.967 286 HD12 LEU 36 2HD1 LEU 36 -3.884 -4.132 8.812 287 HD13 LEU 36 3HD1 LEU 36 -3.993 -4.549 10.522 288 HD21 LEU 36 3HD2 LEU 36 -6.128 -5.068 11.554 289 HD22 LEU 36 1HD2 LEU 36 -7.629 -4.945 10.635 290 HD23 LEU 36 2HD2 LEU 36 -6.761 -3.484 11.107 291 H HIS 37 H HIS 37 -8.368 -6.964 7.586 292 HA HIS 37 HA HIS 37 -10.879 -6.267 8.882 293 HB2 HIS 37 1HB HIS 37 -10.723 -7.773 6.845 294 HB3 HIS 37 2HB HIS 37 -10.015 -8.989 7.902 295 HD1 HIS 37 HD1 HIS 37 -13.253 -7.229 7.166 296 HD2 HIS 37 HD2 HIS 37 -11.806 -10.312 9.567 297 HE1 HIS 37 HE1 HIS 37 -15.286 -8.395 8.086 298 HE2 HIS 37 HE2 HIS 37 -14.394 -10.226 9.576 299 H ARG 38 H ARG 38 -10.584 -5.981 11.010 300 HA ARG 38 HA ARG 38 -9.440 -8.243 12.505 301 HB2 ARG 38 1HB ARG 38 -8.614 -6.748 14.183 302 HB3 ARG 38 2HB ARG 38 -8.036 -6.186 12.621 303 HG2 ARG 38 1HG ARG 38 -9.785 -4.474 12.598 304 HG3 ARG 38 2HG ARG 38 -10.340 -5.032 14.180 305 HD2 ARG 38 1HD ARG 38 -7.632 -3.884 13.520 306 HD3 ARG 38 2HD ARG 38 -8.916 -3.086 14.426 307 HE ARG 38 HE ARG 38 -8.592 -4.815 16.153 308 HH11 ARG 38 1HH1 ARG 38 -6.038 -4.222 13.850 309 HH12 ARG 38 2HH1 ARG 38 -4.767 -4.832 14.868 310 HH21 ARG 38 1HH2 ARG 38 -6.952 -5.601 17.535 311 HH22 ARG 38 2HH2 ARG 38 -5.302 -5.606 16.988 312 H ASP 39 H ASP 39 -10.244 -8.053 14.920 313 HA ASP 39 HA ASP 39 -13.145 -8.199 14.671 314 HB2 ASP 39 1HB ASP 39 -11.896 -10.147 15.537 315 HB3 ASP 39 2HB ASP 39 -11.328 -9.169 16.883 316 H GLY 40 H GLY 40 -12.172 -5.611 14.710 317 HA2 GLY 40 1HA GLY 40 -12.955 -3.635 15.587 318 HA3 GLY 40 2HA GLY 40 -13.804 -4.563 16.808 319 H ARG 41 H ARG 41 -11.968 -5.737 18.272 320 HA ARG 41 HA ARG 41 -11.241 -3.627 19.977 321 HB2 ARG 41 1HB ARG 41 -11.852 -5.867 20.763 322 HB3 ARG 41 2HB ARG 41 -10.393 -6.525 20.039 323 HG2 ARG 41 1HG ARG 41 -9.014 -5.281 21.566 324 HG3 ARG 41 2HG ARG 41 -10.431 -4.477 22.244 325 HD2 ARG 41 1HD ARG 41 -11.282 -6.634 23.021 326 HD3 ARG 41 2HD ARG 41 -9.878 -7.440 22.327 327 HE ARG 41 HE ARG 41 -8.519 -6.493 24.006 328 HH11 ARG 41 1HH1 ARG 41 -11.928 -5.776 24.413 329 HH12 ARG 41 2HH1 ARG 41 -11.750 -5.299 26.076 330 HH21 ARG 41 1HH2 ARG 41 -8.307 -5.925 26.191 331 HH22 ARG 41 2HH2 ARG 41 -9.688 -5.386 27.091 332 H PHE 42 H PHE 42 -9.601 -2.280 19.791 333 HA PHE 42 HA PHE 42 -6.948 -3.408 19.652 334 HB2 PHE 42 1HB PHE 42 -6.094 -1.899 17.956 335 HB3 PHE 42 2HB PHE 42 -7.416 -2.839 17.285 336 HD1 PHE 42 HD2 PHE 42 -9.694 -1.714 17.106 337 HD2 PHE 42 HD1 PHE 42 -6.091 0.416 17.849 338 HE1 PHE 42 HE2 PHE 42 -10.767 0.360 16.335 339 HE2 PHE 42 HE1 PHE 42 -7.154 2.496 17.077 340 HZ PHE 42 HZ PHE 42 -9.496 2.468 16.319 341 H GLU 43 H GLU 43 -6.063 -2.714 21.462 342 HA GLU 43 HA GLU 43 -6.868 -0.106 22.549 343 HB2 GLU 43 1HB GLU 43 -5.344 -2.345 23.890 344 HB3 GLU 43 2HB GLU 43 -5.944 -0.888 24.664 345 HG2 GLU 43 1HG GLU 43 -8.238 -1.589 24.201 346 HG3 GLU 43 2HG GLU 43 -7.627 -3.056 23.435 347 H GLU 44 H GLU 44 -3.866 -1.831 23.161 348 HA GLU 44 HA GLU 44 -2.307 0.505 22.431 349 HB2 GLU 44 1HB GLU 44 -0.381 -0.880 23.218 350 HB3 GLU 44 2HB GLU 44 -1.638 -0.670 24.429 351 HG2 GLU 44 1HG GLU 44 -2.495 -2.897 23.939 352 HG3 GLU 44 2HG GLU 44 -1.247 -3.111 22.708 353 H THR 45 H THR 45 -3.779 -1.723 20.724 354 HA THR 45 HA THR 45 -1.761 -2.746 19.008 355 HB THR 45 HB THR 45 -4.725 -2.482 18.467 356 HG1 THR 45 HG1 THR 45 -3.231 -4.568 19.736 357 HG21 THR 45 3HG2 THR 45 -3.386 -3.006 16.490 358 HG22 THR 45 1HG2 THR 45 -4.362 -4.390 16.977 359 HG23 THR 45 2HG2 THR 45 -2.638 -4.354 17.347 360 H LYS 46 H LYS 46 -0.693 -1.655 17.542 361 HA LYS 46 HA LYS 46 -1.910 0.784 16.422 362 HB2 LYS 46 1HB LYS 46 1.007 0.257 17.040 363 HB3 LYS 46 2HB LYS 46 0.379 1.710 16.273 364 HG2 LYS 46 1HG LYS 46 -0.813 2.317 18.259 365 HG3 LYS 46 2HG LYS 46 -0.401 0.782 19.026 366 HD2 LYS 46 1HD LYS 46 1.029 2.525 19.893 367 HD3 LYS 46 2HD LYS 46 1.989 1.415 18.915 368 HE2 LYS 46 1HE LYS 46 2.621 3.702 18.439 369 HE3 LYS 46 2HE LYS 46 1.845 2.984 17.027 370 HZ1 LYS 46 3HZ LYS 46 1.119 5.281 17.537 371 HZ2 LYS 46 1HZ LYS 46 0.443 4.724 18.991 372 HZ3 LYS 46 2HZ LYS 46 -0.159 4.166 17.505 373 H TYR 47 H TYR 47 -1.645 1.158 14.239 374 HA TYR 47 HA TYR 47 -0.938 -1.228 12.696 375 HB2 TYR 47 1HB TYR 47 -2.312 1.282 11.713 376 HB3 TYR 47 2HB TYR 47 -2.222 -0.271 10.893 377 HD1 TYR 47 HD2 TYR 47 -3.394 -2.265 12.049 378 HD2 TYR 47 HD1 TYR 47 -4.141 1.805 13.035 379 HE1 TYR 47 HE2 TYR 47 -5.554 -2.903 13.034 380 HE2 TYR 47 HE1 TYR 47 -6.301 1.180 14.023 381 HH TYR 47 HH TYR 47 -7.971 -0.733 13.745 382 H PHE 48 H PHE 48 0.931 -1.293 11.613 383 HA PHE 48 HA PHE 48 2.167 1.263 10.842 384 HB2 PHE 48 1HB PHE 48 3.531 -1.198 11.938 385 HB3 PHE 48 2HB PHE 48 4.393 0.112 11.136 386 HD1 PHE 48 HD1 PHE 48 4.272 2.420 12.131 387 HD2 PHE 48 HD2 PHE 48 2.962 -1.059 14.201 388 HE1 PHE 48 HE1 PHE 48 4.422 3.636 14.262 389 HE2 PHE 48 HE2 PHE 48 3.108 0.150 16.337 390 HZ PHE 48 HZ PHE 48 3.842 2.501 16.369 391 H ILE 49 H ILE 49 3.281 1.296 8.890 392 HA ILE 49 HA ILE 49 3.114 -1.073 7.189 393 HB ILE 49 HB ILE 49 0.993 0.200 6.879 394 HG12 ILE 49 1HG1 ILE 49 2.815 0.262 4.464 395 HG13 ILE 49 2HG1 ILE 49 1.964 -1.163 5.051 396 HG21 ILE 49 1HG2 ILE 49 1.801 2.432 7.321 397 HG22 ILE 49 2HG2 ILE 49 1.065 2.368 5.717 398 HG23 ILE 49 3HG2 ILE 49 2.822 2.377 5.885 399 HD11 ILE 49 3HD1 ILE 49 0.801 -0.184 3.172 400 HD12 ILE 49 1HD1 ILE 49 0.697 1.362 4.018 401 HD13 ILE 49 2HD1 ILE 49 -0.173 -0.045 4.637 402 H ARG 50 H ARG 50 4.683 -1.127 5.601 403 HA ARG 50 HA ARG 50 6.112 1.279 4.895 404 HB2 ARG 50 1HB ARG 50 8.327 0.473 5.438 405 HB3 ARG 50 2HB ARG 50 7.345 0.516 6.893 406 HG2 ARG 50 1HG ARG 50 6.982 -1.922 6.671 407 HG3 ARG 50 2HG ARG 50 8.081 -1.921 5.286 408 HD2 ARG 50 1HD ARG 50 9.842 -0.966 6.745 409 HD3 ARG 50 2HD ARG 50 8.741 -1.110 8.114 410 HE ARG 50 HE ARG 50 9.685 -3.441 6.557 411 HH11 ARG 50 1HH1 ARG 50 8.929 -1.882 9.603 412 HH12 ARG 50 2HH1 ARG 50 9.356 -3.265 10.563 413 HH21 ARG 50 1HH2 ARG 50 10.278 -5.228 7.807 414 HH22 ARG 50 2HH2 ARG 50 10.160 -5.159 9.536 415 H TYR 51 H TYR 51 7.806 0.728 3.163 416 HA TYR 51 HA TYR 51 6.766 -1.463 1.495 417 HB2 TYR 51 1HB TYR 51 7.397 1.276 0.391 418 HB3 TYR 51 2HB TYR 51 6.534 -0.042 -0.398 419 HD1 TYR 51 HD2 TYR 51 4.241 -0.659 0.439 420 HD2 TYR 51 HD1 TYR 51 6.253 2.872 1.692 421 HE1 TYR 51 HE2 TYR 51 2.106 0.275 1.221 422 HE2 TYR 51 HE1 TYR 51 4.127 3.812 2.482 423 HH TYR 51 HH TYR 51 1.741 3.548 2.079 424 H PHE 52 H PHE 52 8.202 -1.997 -0.326 425 HA PHE 52 HA PHE 52 10.954 -1.020 -0.039 426 HB2 PHE 52 1HB PHE 52 10.811 -3.231 1.067 427 HB3 PHE 52 2HB PHE 52 10.184 -3.928 -0.423 428 HD1 PHE 52 HD2 PHE 52 13.121 -2.033 0.867 429 HD2 PHE 52 HD1 PHE 52 11.653 -4.904 -1.909 430 HE1 PHE 52 HE2 PHE 52 15.422 -2.468 0.109 431 HE2 PHE 52 HE1 PHE 52 13.950 -5.344 -2.673 432 HZ PHE 52 HZ PHE 52 15.837 -4.124 -1.665 433 H GLN 53 H GLN 53 12.029 -0.729 -1.956 434 HA GLN 53 HA GLN 53 10.488 -1.281 -4.404 435 HB2 GLN 53 1HB GLN 53 12.329 1.025 -3.747 436 HB3 GLN 53 2HB GLN 53 11.726 0.696 -5.364 437 HG2 GLN 53 1HG GLN 53 9.955 1.208 -2.988 438 HG3 GLN 53 2HG GLN 53 10.491 2.460 -4.110 439 HE21 GLN 53 2HE2 GLN 53 7.794 1.507 -3.504 440 HE22 GLN 53 1HE2 GLN 53 7.124 1.002 -5.013 441 HA PRO 54 HA PRO 54 14.356 -3.606 -5.075 442 HB2 PRO 54 1HB PRO 54 13.217 -5.586 -6.534 443 HB3 PRO 54 2HB PRO 54 13.253 -5.598 -4.768 444 HG2 PRO 54 1HG PRO 54 11.016 -4.914 -6.615 445 HG3 PRO 54 2HG PRO 54 10.973 -5.752 -5.054 446 HD2 PRO 54 1HD PRO 54 10.325 -3.096 -5.430 447 HD3 PRO 54 2HD PRO 54 10.834 -3.801 -3.884 448 H ASP 55 H ASP 55 11.736 -3.148 -7.435 449 HA ASP 55 HA ASP 55 13.589 -1.894 -9.295 450 HB2 ASP 55 1HB ASP 55 11.950 -4.346 -9.995 451 HB3 ASP 55 2HB ASP 55 12.677 -3.288 -11.195 452 H GLY 56 H GLY 56 12.608 -0.307 -10.468 453 HA2 GLY 56 1HA GLY 56 10.702 0.636 -11.586 454 HA3 GLY 56 2HA GLY 56 9.661 -0.215 -10.453 455 H ALA 57 H ALA 57 8.913 2.213 -10.661 456 HA ALA 57 HA ALA 57 9.669 3.425 -8.135 457 HB1 ALA 57 3HB ALA 57 10.128 5.616 -9.074 458 HB2 ALA 57 1HB ALA 57 9.882 4.993 -10.705 459 HB3 ALA 57 2HB ALA 57 11.245 4.425 -9.742 460 H GLY 58 H GLY 58 7.940 4.334 -7.172 461 HA2 GLY 58 1HA GLY 58 5.761 5.407 -8.736 462 HA3 GLY 58 2HA GLY 58 5.368 3.937 -7.850 463 H THR 59 H THR 59 4.775 6.992 -7.680 464 HA THR 59 HA THR 59 5.524 7.496 -4.917 465 HB THR 59 HB THR 59 3.729 9.148 -6.711 466 HG1 THR 59 HG1 THR 59 6.542 8.973 -6.480 467 HG21 THR 59 3HG2 THR 59 5.307 9.859 -4.233 468 HG22 THR 59 1HG2 THR 59 3.555 9.691 -4.333 469 HG23 THR 59 2HG2 THR 59 4.370 10.987 -5.210 470 H LEU 60 H LEU 60 4.372 6.480 -3.402 471 HA LEU 60 HA LEU 60 1.549 5.904 -3.936 472 HB2 LEU 60 1HB LEU 60 3.056 4.038 -3.305 473 HB3 LEU 60 2HB LEU 60 3.362 4.830 -1.771 474 HG LEU 60 HG LEU 60 1.021 4.555 -1.137 475 HD11 LEU 60 1HD1 LEU 60 -0.042 4.702 -3.295 476 HD12 LEU 60 2HD1 LEU 60 -0.460 3.160 -2.548 477 HD13 LEU 60 3HD1 LEU 60 0.753 3.220 -3.825 478 HD21 LEU 60 3HD2 LEU 60 2.631 2.786 -0.610 479 HD22 LEU 60 1HD2 LEU 60 2.258 1.997 -2.143 480 HD23 LEU 60 2HD2 LEU 60 1.018 2.133 -0.895 481 H LYS 61 H LYS 61 0.075 7.208 -3.086 482 HA LYS 61 HA LYS 61 0.828 8.773 -0.706 483 HB2 LYS 61 1HB LYS 61 -1.417 9.401 -2.625 484 HB3 LYS 61 2HB LYS 61 -0.761 10.442 -1.373 485 HG2 LYS 61 1HG LYS 61 1.399 10.447 -2.656 486 HG3 LYS 61 2HG LYS 61 0.531 9.635 -3.964 487 HD2 LYS 61 1HD LYS 61 -1.132 11.536 -3.875 488 HD3 LYS 61 2HD LYS 61 -0.002 12.364 -2.803 489 HE2 LYS 61 1HE LYS 61 0.477 13.214 -4.927 490 HE3 LYS 61 2HE LYS 61 1.731 12.005 -4.650 491 HZ1 LYS 61 3HZ LYS 61 -0.745 11.603 -6.245 492 HZ2 LYS 61 1HZ LYS 61 0.453 10.436 -5.986 493 HZ3 LYS 61 2HZ LYS 61 0.810 11.829 -6.879 494 H MET 62 H MET 62 -0.601 8.908 1.018 495 HA MET 62 HA MET 62 -2.525 6.755 1.271 496 HB2 MET 62 1HB MET 62 -1.024 7.573 3.144 497 HB3 MET 62 2HB MET 62 -1.993 9.037 3.188 498 HG2 MET 62 1HG MET 62 -3.975 7.682 3.722 499 HG3 MET 62 2HG MET 62 -2.959 6.242 3.742 500 HE1 MET 62 3HE MET 62 -0.275 7.471 5.086 501 HE2 MET 62 1HE MET 62 -0.949 5.888 5.482 502 HE3 MET 62 2HE MET 62 -0.564 7.030 6.772 503 H SER 63 H SER 63 -4.803 7.295 2.019 504 HA SER 63 HA SER 63 -6.217 8.854 0.269 505 HB2 SER 63 1HB SER 63 -7.983 8.853 2.181 506 HB3 SER 63 2HB SER 63 -7.469 7.314 1.483 507 HG SER 63 HG SER 63 -7.120 8.308 4.023 508 H ASP 64 H ASP 64 -4.660 9.885 3.246 509 HA ASP 64 HA ASP 64 -5.889 12.484 3.272 510 HB2 ASP 64 1HB ASP 64 -3.625 11.247 4.816 511 HB3 ASP 64 2HB ASP 64 -4.002 12.959 4.960 512 H GLY 65 H GLY 65 -3.681 11.187 1.223 513 HA2 GLY 65 1HA GLY 65 -2.607 12.374 -0.495 514 HA3 GLY 65 2HA GLY 65 -2.707 13.835 0.475 515 H THR 66 H THR 66 -1.669 11.668 2.594 516 HA THR 66 HA THR 66 0.922 12.670 2.829 517 HB THR 66 HB THR 66 0.011 9.978 3.848 518 HG1 THR 66 HG1 THR 66 -0.475 12.585 4.919 519 HG21 THR 66 3HG2 THR 66 1.508 10.458 5.708 520 HG22 THR 66 1HG2 THR 66 1.901 12.029 5.008 521 HG23 THR 66 2HG2 THR 66 2.386 10.550 4.182 522 H VAL 67 H VAL 67 2.621 12.342 1.522 523 HA VAL 67 HA VAL 67 2.723 10.149 -0.322 524 HB VAL 67 HB VAL 67 4.816 12.221 0.366 525 HG11 VAL 67 1HG1 VAL 67 5.843 10.227 -0.589 526 HG12 VAL 67 2HG1 VAL 67 5.888 11.559 -1.743 527 HG13 VAL 67 3HG1 VAL 67 4.703 10.266 -1.933 528 HG21 VAL 67 3HG2 VAL 67 2.828 13.221 -0.573 529 HG22 VAL 67 1HG2 VAL 67 2.817 12.048 -1.889 530 HG23 VAL 67 2HG2 VAL 67 4.114 13.242 -1.779 531 H LEU 68 H LEU 68 3.558 8.222 -0.018 532 HA LEU 68 HA LEU 68 4.924 7.680 2.523 533 HB2 LEU 68 1HB LEU 68 3.501 5.817 0.616 534 HB3 LEU 68 2HB LEU 68 4.169 5.372 2.175 535 HG LEU 68 HG LEU 68 2.131 7.544 2.108 536 HD11 LEU 68 1HD1 LEU 68 1.481 4.610 1.879 537 HD12 LEU 68 2HD1 LEU 68 1.169 5.838 0.654 538 HD13 LEU 68 3HD1 LEU 68 0.325 5.902 2.199 539 HD21 LEU 68 3HD2 LEU 68 3.265 6.899 4.191 540 HD22 LEU 68 1HD2 LEU 68 2.670 5.250 3.990 541 HD23 LEU 68 2HD2 LEU 68 1.533 6.573 4.251 542 H LEU 69 H LEU 69 6.993 7.111 2.544 543 HA LEU 69 HA LEU 69 8.286 6.419 0.001 544 HB2 LEU 69 1HB LEU 69 9.375 7.544 2.578 545 HB3 LEU 69 2HB LEU 69 10.415 6.910 1.318 546 HG LEU 69 HG LEU 69 10.402 9.255 1.054 547 HD11 LEU 69 1HD1 LEU 69 9.353 9.573 -1.146 548 HD12 LEU 69 2HD1 LEU 69 8.504 8.041 -0.940 549 HD13 LEU 69 3HD1 LEU 69 10.265 8.067 -1.033 550 HD21 LEU 69 3HD2 LEU 69 7.392 9.156 1.127 551 HD22 LEU 69 1HD2 LEU 69 8.371 10.592 0.824 552 HD23 LEU 69 2HD2 LEU 69 8.444 9.788 2.394 553 HA PRO 70 HA PRO 70 9.057 2.293 1.373 554 HB2 PRO 70 1HB PRO 70 11.422 1.734 0.171 555 HB3 PRO 70 2HB PRO 70 9.906 1.871 -0.724 556 HG2 PRO 70 1HG PRO 70 12.106 3.866 -0.401 557 HG3 PRO 70 2HG PRO 70 11.163 3.457 -1.845 558 HD2 PRO 70 1HD PRO 70 10.669 5.653 -0.317 559 HD3 PRO 70 2HD PRO 70 9.411 4.808 -1.239 560 H ASN 71 H ASN 71 10.323 0.974 2.707 561 HA ASN 71 HA ASN 71 11.719 0.366 4.367 562 HB2 ASN 71 1HB ASN 71 13.525 1.256 2.918 563 HB3 ASN 71 2HB ASN 71 13.362 2.816 3.720 564 HD21 ASN 71 2HD2 ASN 71 15.465 2.757 4.483 565 HD22 ASN 71 1HD2 ASN 71 15.955 1.712 5.770 566 H ASP 72 H ASP 72 10.802 3.772 4.374 567 HA ASP 72 HA ASP 72 11.169 4.100 7.191 568 HB2 ASP 72 1HB ASP 72 11.159 5.972 5.504 569 HB3 ASP 72 2HB ASP 72 9.417 5.751 5.363 570 H LEU 73 H LEU 73 9.728 3.830 8.835 571 HA LEU 73 HA LEU 73 7.417 2.182 8.186 572 HB2 LEU 73 1HB LEU 73 9.076 1.505 9.919 573 HB3 LEU 73 2HB LEU 73 8.581 2.885 10.880 574 HG LEU 73 HG LEU 73 6.299 1.939 11.019 575 HD11 LEU 73 1HD1 LEU 73 5.966 -0.411 10.356 576 HD12 LEU 73 2HD1 LEU 73 7.552 -0.393 9.583 577 HD13 LEU 73 3HD1 LEU 73 6.264 0.651 8.982 578 HD21 LEU 73 3HD2 LEU 73 7.902 1.526 12.803 579 HD22 LEU 73 1HD2 LEU 73 8.516 0.114 11.942 580 HD23 LEU 73 2HD2 LEU 73 6.864 0.120 12.566 581 H TYR 74 H TYR 74 5.492 3.094 7.918 582 HA TYR 74 HA TYR 74 4.943 5.666 9.234 583 HB2 TYR 74 1HB TYR 74 3.657 4.336 6.846 584 HB3 TYR 74 2HB TYR 74 3.084 5.836 7.565 585 HD1 TYR 74 HD2 TYR 74 5.722 4.272 5.569 586 HD2 TYR 74 HD1 TYR 74 4.320 7.896 7.289 587 HE1 TYR 74 HE2 TYR 74 7.285 5.539 4.158 588 HE2 TYR 74 HE1 TYR 74 5.876 9.175 5.884 589 HH TYR 74 HH TYR 74 8.055 8.752 4.715 590 HA PRO 75 HA PRO 75 1.699 3.593 11.516 591 HB2 PRO 75 1HB PRO 75 0.675 5.941 12.603 592 HB3 PRO 75 2HB PRO 75 2.001 4.991 13.277 593 HG2 PRO 75 1HG PRO 75 2.123 7.610 12.148 594 HG3 PRO 75 2HG PRO 75 3.460 6.629 12.766 595 HD2 PRO 75 1HD PRO 75 2.592 7.084 9.982 596 HD3 PRO 75 2HD PRO 75 4.178 6.591 10.607 597 H LEU 76 H LEU 76 -0.346 3.036 11.027 598 HA LEU 76 HA LEU 76 -1.747 4.582 8.981 599 HB2 LEU 76 1HB LEU 76 -2.259 1.853 10.158 600 HB3 LEU 76 2HB LEU 76 -3.301 2.609 8.967 601 HG LEU 76 HG LEU 76 -0.385 1.989 8.500 602 HD11 LEU 76 1HD1 LEU 76 -2.830 0.446 7.647 603 HD12 LEU 76 2HD1 LEU 76 -1.650 -0.067 8.854 604 HD13 LEU 76 3HD1 LEU 76 -1.167 0.104 7.166 605 HD21 LEU 76 3HD2 LEU 76 -0.991 2.334 6.143 606 HD22 LEU 76 1HD2 LEU 76 -1.240 3.788 7.111 607 HD23 LEU 76 2HD2 LEU 76 -2.618 2.794 6.642 608 HA PRO 77 HA PRO 77 -4.319 6.407 12.106 609 HB2 PRO 77 1HB PRO 77 -6.054 7.686 10.489 610 HB3 PRO 77 2HB PRO 77 -4.378 8.216 10.674 611 HG2 PRO 77 1HG PRO 77 -5.618 6.591 8.487 612 HG3 PRO 77 2HG PRO 77 -4.460 7.928 8.368 613 HD2 PRO 77 1HD PRO 77 -3.739 5.302 8.207 614 HD3 PRO 77 2HD PRO 77 -2.659 6.573 8.813 615 H GLY 78 H GLY 78 -5.118 3.756 10.354 616 HA2 GLY 78 1HA GLY 78 -7.207 2.950 11.984 617 HA3 GLY 78 2HA GLY 78 -7.946 3.692 10.572 618 H GLU 79 H GLU 79 -8.835 1.525 10.317 619 HA GLU 79 HA GLU 79 -6.930 -0.357 9.087 620 HB2 GLU 79 1HB GLU 79 -8.750 -2.051 9.512 621 HB3 GLU 79 2HB GLU 79 -8.015 -1.374 10.958 622 HG2 GLU 79 1HG GLU 79 -9.920 0.219 11.100 623 HG3 GLU 79 2HG GLU 79 -10.674 -0.645 9.762 624 H THR 80 H THR 80 -9.394 1.828 8.500 625 HA THR 80 HA THR 80 -10.049 0.631 5.891 626 HB THR 80 HB THR 80 -11.552 2.913 7.151 627 HG1 THR 80 HG1 THR 80 -12.410 0.242 7.507 628 HG21 THR 80 3HG2 THR 80 -12.023 2.376 4.813 629 HG22 THR 80 1HG2 THR 80 -13.410 2.004 5.836 630 HG23 THR 80 2HG2 THR 80 -12.366 0.704 5.259 631 H PHE 81 H PHE 81 -8.444 1.428 4.558 632 HA PHE 81 HA PHE 81 -8.359 4.322 4.232 633 HB2 PHE 81 1HB PHE 81 -5.870 4.345 4.253 634 HB3 PHE 81 2HB PHE 81 -6.575 3.972 5.821 635 HD1 PHE 81 HD2 PHE 81 -6.525 1.643 6.668 636 HD2 PHE 81 HD1 PHE 81 -4.456 2.809 3.137 637 HE1 PHE 81 HE2 PHE 81 -5.146 -0.388 6.807 638 HE2 PHE 81 HE1 PHE 81 -3.074 0.780 3.273 639 HZ PHE 81 HZ PHE 81 -3.418 -0.822 5.110 640 H ARG 82 H ARG 82 -7.288 5.000 2.262 641 HA ARG 82 HA ARG 82 -7.147 2.868 0.243 642 HB2 ARG 82 1HB ARG 82 -8.202 5.636 -0.350 643 HB3 ARG 82 2HB ARG 82 -8.301 4.200 -1.360 644 HG2 ARG 82 1HG ARG 82 -9.694 3.233 0.608 645 HG3 ARG 82 2HG ARG 82 -9.892 4.923 1.059 646 HD2 ARG 82 1HD ARG 82 -10.672 3.659 -1.565 647 HD3 ARG 82 2HD ARG 82 -11.764 4.174 -0.286 648 HE ARG 82 HE ARG 82 -10.347 5.876 -2.192 649 HH11 ARG 82 1HH1 ARG 82 -12.431 5.644 0.625 650 HH12 ARG 82 2HH1 ARG 82 -13.078 7.238 0.439 651 HH21 ARG 82 1HH2 ARG 82 -11.252 7.973 -2.464 652 HH22 ARG 82 2HH2 ARG 82 -12.424 8.560 -1.317 653 H LEU 83 H LEU 83 -5.422 2.948 -1.087 654 HA LEU 83 HA LEU 83 -3.511 5.130 -0.610 655 HB2 LEU 83 1HB LEU 83 -3.007 2.323 -1.605 656 HB3 LEU 83 2HB LEU 83 -1.779 3.539 -1.318 657 HG LEU 83 HG LEU 83 -3.543 2.316 0.809 658 HD11 LEU 83 1HD1 LEU 83 -1.944 0.713 -0.104 659 HD12 LEU 83 2HD1 LEU 83 -1.518 1.176 1.544 660 HD13 LEU 83 3HD1 LEU 83 -0.629 1.856 0.179 661 HD21 LEU 83 3HD2 LEU 83 -2.047 3.435 2.381 662 HD22 LEU 83 1HD2 LEU 83 -2.871 4.601 1.345 663 HD23 LEU 83 2HD2 LEU 83 -1.185 4.184 1.037 664 H TYR 84 H TYR 84 -2.811 6.346 -2.272 665 HA TYR 84 HA TYR 84 -3.904 5.741 -4.934 666 HB2 TYR 84 1HB TYR 84 -2.818 8.346 -3.844 667 HB3 TYR 84 2HB TYR 84 -3.513 8.113 -5.445 668 HD1 TYR 84 HD1 TYR 84 -5.964 7.106 -5.435 669 HD2 TYR 84 HD2 TYR 84 -4.174 9.164 -2.170 670 HE1 TYR 84 HE1 TYR 84 -8.195 7.608 -4.535 671 HE2 TYR 84 HE2 TYR 84 -6.401 9.674 -1.268 672 HH TYR 84 HH TYR 84 -9.275 8.231 -2.562 673 H TYR 85 H TYR 85 -2.458 4.492 -5.963 674 HA TYR 85 HA TYR 85 0.382 5.006 -5.654 675 HB2 TYR 85 1HB TYR 85 -0.391 2.687 -5.653 676 HB3 TYR 85 2HB TYR 85 -1.086 2.903 -7.257 677 HD1 TYR 85 HD2 TYR 85 2.176 3.165 -5.460 678 HD2 TYR 85 HD1 TYR 85 0.168 2.317 -9.115 679 HE1 TYR 85 HE2 TYR 85 4.314 2.498 -6.473 680 HE2 TYR 85 HE1 TYR 85 2.302 1.651 -10.137 681 HH TYR 85 HH TYR 85 4.609 1.852 -9.880 682 H THR 86 H THR 86 1.352 6.463 -6.857 683 HA THR 86 HA THR 86 0.324 7.026 -9.552 684 HB THR 86 HB THR 86 2.385 8.648 -8.056 685 HG1 THR 86 HG1 THR 86 -0.157 8.284 -7.362 686 HG21 THR 86 3HG2 THR 86 1.586 10.455 -9.507 687 HG22 THR 86 1HG2 THR 86 0.425 9.353 -10.247 688 HG23 THR 86 2HG2 THR 86 2.154 9.085 -10.460 689 H SER 87 H SER 87 1.305 5.780 -11.040 690 HA SER 87 HA SER 87 3.797 4.513 -10.665 691 HB2 SER 87 1HB SER 87 3.371 4.416 -13.369 692 HB3 SER 87 2HB SER 87 2.650 3.308 -12.197 693 HG SER 87 HG SER 87 1.446 5.147 -13.764 694 H ALA 88 H ALA 88 5.827 5.125 -11.092 695 HA ALA 88 HA ALA 88 6.201 7.682 -12.506 696 HB1 ALA 88 3HB ALA 88 7.766 6.670 -10.139 697 HB2 ALA 88 1HB ALA 88 6.533 7.929 -10.099 698 HB3 ALA 88 2HB ALA 88 8.033 8.192 -10.989 699 H SER 89 H SER 89 6.780 4.441 -12.727 700 HA SER 89 HA SER 89 9.150 4.927 -14.398 701 HB2 SER 89 1HB SER 89 9.742 2.508 -13.958 702 HB3 SER 89 2HB SER 89 9.891 3.578 -12.565 703 HG SER 89 HG SER 89 7.927 1.631 -13.116 704 H THR 90 H THR 90 9.297 3.679 -16.343 705 HA THR 90 HA THR 90 6.656 3.265 -17.488 706 HB THR 90 HB THR 90 9.306 3.144 -18.922 707 HG1 THR 90 HG1 THR 90 9.475 5.215 -18.555 708 HG21 THR 90 3HG2 THR 90 6.522 3.848 -19.853 709 HG22 THR 90 1HG2 THR 90 7.355 2.325 -20.160 710 HG23 THR 90 2HG2 THR 90 7.973 3.825 -20.857 711 H ASP 91 H ASP 91 9.417 1.460 -16.467 712 HA ASP 91 HA ASP 91 8.610 -0.920 -17.944 713 HB2 ASP 91 1HB ASP 91 10.754 -1.858 -17.154 714 HB3 ASP 91 2HB ASP 91 10.978 -0.323 -17.983 715 H GLN 92 H GLN 92 9.702 -2.777 -16.040 716 HA GLN 92 HA GLN 92 7.379 -3.529 -14.715 717 HB2 GLN 92 1HB GLN 92 9.116 -5.144 -15.224 718 HB3 GLN 92 2HB GLN 92 10.252 -4.311 -14.172 719 HG2 GLN 92 1HG GLN 92 8.824 -4.857 -12.239 720 HG3 GLN 92 2HG GLN 92 7.754 -5.757 -13.313 721 HE21 GLN 92 2HE2 GLN 92 9.364 -6.619 -10.998 722 HE22 GLN 92 1HE2 GLN 92 10.360 -7.907 -11.588 723 H GLN 93 H GLN 93 6.394 -2.620 -13.070 724 HA GLN 93 HA GLN 93 7.959 -1.136 -11.076 725 HB2 GLN 93 1HB GLN 93 4.958 -1.199 -11.454 726 HB3 GLN 93 2HB GLN 93 5.874 -0.078 -10.455 727 HG2 GLN 93 1HG GLN 93 6.872 0.910 -12.418 728 HG3 GLN 93 2HG GLN 93 6.062 -0.268 -13.450 729 HE21 GLN 93 2HE2 GLN 93 5.005 1.307 -14.615 730 HE22 GLN 93 1HE2 GLN 93 3.687 2.218 -13.967 731 H THR 94 H THR 94 8.529 -2.338 -9.353 732 HA THR 94 HA THR 94 6.642 -4.428 -8.470 733 HB THR 94 HB THR 94 9.609 -4.430 -7.927 734 HG1 THR 94 HG1 THR 94 8.856 -4.481 -10.259 735 HG21 THR 94 3HG2 THR 94 9.232 -6.833 -7.581 736 HG22 THR 94 1HG2 THR 94 7.516 -6.611 -7.923 737 HG23 THR 94 2HG2 THR 94 8.232 -5.867 -6.497 738 H VAL 95 H VAL 95 5.545 -3.613 -6.805 739 HA VAL 95 HA VAL 95 6.990 -1.992 -4.819 740 HB VAL 95 HB VAL 95 4.001 -2.185 -5.242 741 HG11 VAL 95 1HG1 VAL 95 5.674 -0.313 -3.568 742 HG12 VAL 95 2HG1 VAL 95 4.595 -1.573 -2.970 743 HG13 VAL 95 3HG1 VAL 95 3.931 -0.176 -3.816 744 HG21 VAL 95 3HG2 VAL 95 5.110 -1.165 -7.171 745 HG22 VAL 95 1HG2 VAL 95 5.918 -0.019 -6.101 746 HG23 VAL 95 2HG2 VAL 95 4.163 0.022 -6.272 747 H ASP 96 H ASP 96 7.606 -3.093 -3.105 748 HA ASP 96 HA ASP 96 6.128 -5.462 -2.239 749 HB2 ASP 96 1HB ASP 96 8.753 -5.131 -2.419 750 HB3 ASP 96 2HB ASP 96 8.555 -4.408 -0.829 751 H VAL 97 H VAL 97 4.460 -5.101 -0.880 752 HA VAL 97 HA VAL 97 4.623 -2.762 0.904 753 HB VAL 97 HB VAL 97 2.137 -4.216 -0.015 754 HG11 VAL 97 1HG1 VAL 97 2.474 -1.639 1.513 755 HG12 VAL 97 2HG1 VAL 97 1.846 -3.162 2.146 756 HG13 VAL 97 3HG1 VAL 97 0.943 -2.281 0.912 757 HG21 VAL 97 3HG2 VAL 97 3.213 -3.068 -1.874 758 HG22 VAL 97 1HG2 VAL 97 3.268 -1.576 -0.937 759 HG23 VAL 97 2HG2 VAL 97 1.715 -2.259 -1.416 760 H TYR 98 H TYR 98 4.569 -3.023 3.051 761 HA TYR 98 HA TYR 98 4.020 -5.728 4.087 762 HB2 TYR 98 1HB TYR 98 5.802 -3.614 5.315 763 HB3 TYR 98 2HB TYR 98 5.583 -5.262 5.887 764 HD1 TYR 98 HD1 TYR 98 6.496 -7.155 4.552 765 HD2 TYR 98 HD2 TYR 98 7.321 -3.097 3.574 766 HE1 TYR 98 HE1 TYR 98 8.401 -7.880 3.181 767 HE2 TYR 98 HE2 TYR 98 9.229 -3.808 2.199 768 HH TYR 98 HH TYR 98 9.727 -7.034 1.294 769 H PHE 99 H PHE 99 2.219 -5.869 5.252 770 HA PHE 99 HA PHE 99 1.296 -3.508 6.765 771 HB2 PHE 99 1HB PHE 99 -0.207 -5.987 5.881 772 HB3 PHE 99 2HB PHE 99 -0.887 -4.728 6.902 773 HD1 PHE 99 HD2 PHE 99 -1.371 -2.514 5.979 774 HD2 PHE 99 HD1 PHE 99 0.021 -5.699 3.523 775 HE1 PHE 99 HE2 PHE 99 -2.130 -1.300 3.979 776 HE2 PHE 99 HE1 PHE 99 -0.739 -4.490 1.520 777 HZ PHE 99 HZ PHE 99 -1.816 -2.284 1.747 778 H GLN 100 H GLN 100 1.874 -3.570 8.870 779 HA GLN 100 HA GLN 100 2.034 -6.221 10.134 780 HB2 GLN 100 1HB GLN 100 3.908 -5.430 11.486 781 HB3 GLN 100 2HB GLN 100 4.278 -5.346 9.773 782 HG2 GLN 100 1HG GLN 100 3.780 -2.939 9.813 783 HG3 GLN 100 2HG GLN 100 3.501 -3.048 11.548 784 HE21 GLN 100 2HE2 GLN 100 5.255 -3.429 12.927 785 HE22 GLN 100 1HE2 GLN 100 6.880 -3.141 12.418 786 H ASP 101 H ASP 101 1.154 -6.499 12.041 787 HA ASP 101 HA ASP 101 -0.182 -4.207 13.342 788 HB2 ASP 101 1HB ASP 101 -1.729 -5.942 12.451 789 HB3 ASP 101 2HB ASP 101 -0.915 -7.156 13.429 790 H SER 102 H SER 102 -0.208 -4.275 15.725 791 HA SER 102 HA SER 102 2.396 -4.959 16.695 792 HB2 SER 102 1HB SER 102 1.429 -4.072 18.891 793 HB3 SER 102 2HB SER 102 1.514 -2.944 17.537 794 HG SER 102 HG SER 102 -0.753 -4.347 18.506 795 H PHE 103 H PHE 103 -0.311 -6.808 16.290 796 HA PHE 103 HA PHE 103 0.024 -8.537 18.562 797 HB2 PHE 103 1HB PHE 103 -2.115 -8.477 17.422 798 HB3 PHE 103 2HB PHE 103 -1.359 -8.903 15.894 799 HD1 PHE 103 HD1 PHE 103 -1.999 -10.207 19.313 800 HD2 PHE 103 HD2 PHE 103 -1.232 -11.122 15.230 801 HE1 PHE 103 HE1 PHE 103 -2.443 -12.585 19.761 802 HE2 PHE 103 HE2 PHE 103 -1.673 -13.499 15.676 803 HZ PHE 103 HZ PHE 103 -2.279 -14.231 17.943 804 H GLY 104 H GLY 104 1.754 -7.958 15.725 805 HA2 GLY 104 1HA GLY 104 3.908 -8.965 15.403 806 HA3 GLY 104 2HA GLY 104 3.281 -10.446 16.114 807 H GLN 105 H GLN 105 0.936 -9.259 14.167 808 HA GLN 105 HA GLN 105 1.420 -11.272 12.170 809 HB2 GLN 105 1HB GLN 105 -0.852 -10.730 13.103 810 HB3 GLN 105 2HB GLN 105 -0.772 -9.192 12.253 811 HG2 GLN 105 1HG GLN 105 -1.993 -10.489 10.802 812 HG3 GLN 105 2HG GLN 105 -0.360 -10.653 10.157 813 HE21 GLN 105 2HE2 GLN 105 0.762 -12.625 10.473 814 HE22 GLN 105 1HE2 GLN 105 -0.082 -14.082 10.878 815 H LEU 106 H LEU 106 2.456 -10.959 10.313 816 HA LEU 106 HA LEU 106 2.497 -8.247 9.166 817 HB2 LEU 106 1HB LEU 106 4.682 -8.673 10.095 818 HB3 LEU 106 2HB LEU 106 4.753 -10.245 9.326 819 HG LEU 106 HG LEU 106 4.838 -9.143 7.115 820 HD11 LEU 106 1HD1 LEU 106 3.652 -7.072 7.761 821 HD12 LEU 106 2HD1 LEU 106 5.172 -6.768 6.924 822 HD13 LEU 106 3HD1 LEU 106 5.077 -6.575 8.674 823 HD21 LEU 106 3HD2 LEU 106 7.117 -8.278 7.332 824 HD22 LEU 106 1HD2 LEU 106 6.894 -9.773 8.241 825 HD23 LEU 106 2HD2 LEU 106 6.922 -8.225 9.085 826 H GLN 107 H GLN 107 1.410 -8.257 7.330 827 HA GLN 107 HA GLN 107 1.505 -10.681 5.649 828 HB2 GLN 107 1HB GLN 107 -0.769 -9.878 6.606 829 HB3 GLN 107 2HB GLN 107 -0.633 -8.566 5.443 830 HG2 GLN 107 1HG GLN 107 -0.320 -10.382 3.685 831 HG3 GLN 107 2HG GLN 107 -0.878 -11.508 4.916 832 HE21 GLN 107 2HE2 GLN 107 -1.745 -9.000 2.728 833 HE22 GLN 107 1HE2 GLN 107 -3.459 -9.109 2.935 834 H GLN 108 H GLN 108 2.725 -10.434 3.892 835 HA GLN 108 HA GLN 108 3.222 -7.714 2.935 836 HB2 GLN 108 1HB GLN 108 5.088 -8.680 1.651 837 HB3 GLN 108 2HB GLN 108 5.228 -8.996 3.371 838 HG2 GLN 108 1HG GLN 108 5.863 -10.991 2.419 839 HG3 GLN 108 2HG GLN 108 4.173 -11.274 2.821 840 HE21 GLN 108 2HE2 GLN 108 3.986 -12.912 1.290 841 HE22 GLN 108 1HE2 GLN 108 3.939 -12.588 -0.404 842 H LEU 109 H LEU 109 2.882 -7.085 0.851 843 HA LEU 109 HA LEU 109 1.519 -8.974 -0.933 844 HB2 LEU 109 1HB LEU 109 0.628 -6.159 -0.293 845 HB3 LEU 109 2HB LEU 109 0.025 -7.087 -1.652 846 HG LEU 109 HG LEU 109 -0.301 -7.864 1.251 847 HD11 LEU 109 1HD1 LEU 109 -2.653 -7.273 0.919 848 HD12 LEU 109 2HD1 LEU 109 -2.273 -6.686 -0.701 849 HD13 LEU 109 3HD1 LEU 109 -1.593 -5.878 0.711 850 HD21 LEU 109 3HD2 LEU 109 -1.444 -9.049 -1.275 851 HD22 LEU 109 1HD2 LEU 109 -1.877 -9.523 0.367 852 HD23 LEU 109 2HD2 LEU 109 -0.240 -9.793 -0.226 853 H THR 110 H THR 110 2.750 -9.128 -2.683 854 HA THR 110 HA THR 110 4.471 -6.879 -3.411 855 HB THR 110 HB THR 110 4.412 -9.666 -4.583 856 HG1 THR 110 HG1 THR 110 5.063 -9.167 -2.193 857 HG21 THR 110 3HG2 THR 110 5.438 -8.014 -6.055 858 HG22 THR 110 1HG2 THR 110 6.669 -9.087 -5.385 859 HG23 THR 110 2HG2 THR 110 6.470 -7.458 -4.738 860 H PHE 111 H PHE 111 3.632 -5.442 -4.760 861 HA PHE 111 HA PHE 111 1.589 -6.316 -6.670 862 HB2 PHE 111 1HB PHE 111 2.395 -3.563 -5.719 863 HB3 PHE 111 2HB PHE 111 1.208 -3.853 -6.987 864 HD1 PHE 111 HD1 PHE 111 -0.933 -4.946 -6.446 865 HD2 PHE 111 HD2 PHE 111 1.853 -3.847 -3.425 866 HE1 PHE 111 HE1 PHE 111 -2.703 -5.145 -4.751 867 HE2 PHE 111 HE2 PHE 111 0.090 -4.047 -1.721 868 HZ PHE 111 HZ PHE 111 -2.193 -4.694 -2.385 869 H SER 112 H SER 112 2.180 -6.743 -8.659 870 HA SER 112 HA SER 112 4.617 -5.512 -9.736 871 HB2 SER 112 1HB SER 112 3.109 -7.876 -10.873 872 HB3 SER 112 2HB SER 112 4.765 -7.379 -11.223 873 HG SER 112 HG SER 112 5.423 -8.453 -9.531 874 H PHE 113 H PHE 113 4.151 -3.708 -10.838 875 HA PHE 113 HA PHE 113 1.604 -3.550 -12.291 876 HB2 PHE 113 1HB PHE 113 3.520 -1.373 -11.436 877 HB3 PHE 113 2HB PHE 113 2.039 -1.103 -12.347 878 HD1 PHE 113 HD1 PHE 113 -0.157 -1.803 -11.274 879 HD2 PHE 113 HD2 PHE 113 3.486 -1.447 -9.107 880 HE1 PHE 113 HE1 PHE 113 -1.428 -1.608 -9.177 881 HE2 PHE 113 HE2 PHE 113 2.221 -1.254 -7.004 882 HZ PHE 113 HZ PHE 113 -0.241 -1.331 -7.040 883 H ASN 114 H ASN 114 1.487 -2.970 -14.410 884 HA ASN 114 HA ASN 114 2.028 -3.010 -16.598 885 HB2 ASN 114 1HB ASN 114 3.445 -1.033 -15.911 886 HB3 ASN 114 2HB ASN 114 4.809 -2.139 -15.793 887 HD21 ASN 114 2HD2 ASN 114 4.337 0.165 -17.554 888 HD22 ASN 114 1HD2 ASN 114 4.523 -0.434 -19.166 889 H ASN 115 H ASN 115 1.746 -5.213 -16.673 890 HA ASN 115 HA ASN 115 2.265 -7.333 -17.291 891 HB2 ASN 115 1HB ASN 115 4.058 -6.184 -18.688 892 HB3 ASN 115 2HB ASN 115 5.179 -6.532 -17.377 893 HD21 ASN 115 2HD2 ASN 115 5.316 -7.432 -20.088 894 HD22 ASN 115 1HD2 ASN 115 5.262 -9.165 -20.049 895 H ASP 116 H ASP 116 2.389 -9.098 -16.025 896 HA ASP 116 HA ASP 116 3.238 -8.842 -13.313 897 HB2 ASP 116 1HB ASP 116 1.360 -10.324 -13.981 898 HB3 ASP 116 2HB ASP 116 2.500 -11.349 -14.845 899 H SER 117 H SER 117 5.363 -8.317 -13.342 900 HA SER 117 HA SER 117 7.594 -8.463 -13.431 901 HB2 SER 117 1HB SER 117 8.666 -10.649 -13.089 902 HB3 SER 117 2HB SER 117 7.305 -10.414 -11.997 903 HG SER 117 HG SER 117 6.267 -11.574 -14.070 904 H SER 118 H SER 118 9.510 -9.170 -14.743 905 HA SER 118 HA SER 118 8.827 -8.961 -17.526 906 HB2 SER 118 1HB SER 118 11.449 -9.131 -17.679 907 HB3 SER 118 2HB SER 118 10.691 -7.675 -17.033 908 HG SER 118 HG SER 118 11.309 -8.203 -15.036 909 H LYS 119 H LYS 119 7.654 -11.148 -17.063 910 HA LYS 119 HA LYS 119 9.384 -13.464 -17.181 911 HB2 LYS 119 1HB LYS 119 7.252 -13.421 -15.870 912 HB3 LYS 119 2HB LYS 119 6.372 -13.341 -17.390 913 HG2 LYS 119 1HG LYS 119 7.318 -15.502 -18.043 914 HG3 LYS 119 2HG LYS 119 8.177 -15.583 -16.504 915 HD2 LYS 119 1HD LYS 119 6.242 -16.892 -16.204 916 HD3 LYS 119 2HD LYS 119 5.898 -15.366 -15.396 917 HE2 LYS 119 1HE LYS 119 5.035 -15.973 -18.216 918 HE3 LYS 119 2HE LYS 119 4.035 -16.325 -16.812 919 HZ1 LYS 119 3HZ LYS 119 3.480 -14.207 -17.872 920 HZ2 LYS 119 1HZ LYS 119 5.031 -13.619 -17.547 921 HZ3 LYS 119 2HZ LYS 119 3.978 -13.995 -16.269 922 H GLU 120 H GLU 120 10.424 -13.006 -19.147 923 HA GLU 120 HA GLU 120 8.802 -13.614 -21.533 924 HB2 GLU 120 1HB GLU 120 11.456 -12.159 -21.393 925 HB3 GLU 120 2HB GLU 120 10.520 -12.462 -22.848 926 HG2 GLU 120 1HG GLU 120 8.709 -11.065 -21.945 927 HG3 GLU 120 2HG GLU 120 9.710 -10.715 -20.539 928 H GLU 121 H GLU 121 10.972 -14.272 -23.213 929 HA GLU 121 HA GLU 121 11.643 -16.893 -22.478 930 HB2 GLU 121 1HB GLU 121 12.836 -14.977 -24.476 931 HB3 GLU 121 2HB GLU 121 13.447 -16.617 -24.275 932 HG2 GLU 121 1HG GLU 121 11.438 -17.578 -24.984 933 HG3 GLU 121 2HG GLU 121 10.542 -16.079 -24.771 934 H GLU 122 H GLU 122 12.941 -17.589 -20.955 935 HA GLU 122 HA GLU 122 14.281 -15.497 -19.418 936 HB2 GLU 122 1HB GLU 122 12.382 -17.029 -18.578 937 HB3 GLU 122 2HB GLU 122 13.613 -18.277 -18.483 938 HG2 GLU 122 1HG GLU 122 13.708 -15.646 -17.033 939 HG3 GLU 122 2HG GLU 122 13.169 -17.174 -16.339 940 H LEU 123 H LEU 123 16.408 -15.341 -19.512 941 HA LEU 123 HA LEU 123 18.040 -17.708 -19.195 942 HB2 LEU 123 1HB LEU 123 19.569 -16.905 -21.081 943 HB3 LEU 123 2HB LEU 123 18.099 -17.747 -21.520 944 HG LEU 123 HG LEU 123 17.056 -15.453 -21.907 945 HD11 LEU 123 1HD1 LEU 123 18.677 -14.098 -20.707 946 HD12 LEU 123 2HD1 LEU 123 18.612 -13.629 -22.406 947 HD13 LEU 123 3HD1 LEU 123 19.951 -14.614 -21.813 948 HD21 LEU 123 3HD2 LEU 123 18.025 -15.271 -24.134 949 HD22 LEU 123 1HD2 LEU 123 17.721 -16.956 -23.707 950 HD23 LEU 123 2HD2 LEU 123 19.363 -16.311 -23.645 951 H GLU 124 H GLU 124 17.326 -15.191 -17.715 952 HA GLU 124 HA GLU 124 20.045 -14.269 -17.202 953 HB2 GLU 124 1HB GLU 124 19.291 -11.866 -17.291 954 HB3 GLU 124 2HB GLU 124 19.448 -12.678 -18.842 955 HG2 GLU 124 1HG GLU 124 17.095 -12.902 -19.058 956 HG3 GLU 124 2HG GLU 124 16.835 -12.380 -17.393 957 H HIS 125 H HIS 125 16.689 -14.450 -16.197 958 HA HIS 125 HA HIS 125 17.303 -13.192 -13.635 959 HB2 HIS 125 1HB HIS 125 14.717 -14.347 -14.712 960 HB3 HIS 125 2HB HIS 125 14.886 -13.600 -13.127 961 HD1 HIS 125 HD1 HIS 125 14.730 -11.071 -13.017 962 HD2 HIS 125 HD2 HIS 125 15.037 -12.518 -16.904 963 HE1 HIS 125 HE1 HIS 125 14.341 -9.089 -14.515 964 HE2 HIS 125 HE2 HIS 125 14.798 -9.951 -16.838 965 H HIS 126 H HIS 126 16.527 -16.293 -15.028 966 HA HIS 126 HA HIS 126 16.981 -18.406 -14.428 967 HB2 HIS 126 1HB HIS 126 18.854 -17.097 -12.457 968 HB3 HIS 126 2HB HIS 126 18.824 -18.820 -12.819 969 HD1 HIS 126 HD1 HIS 126 20.546 -15.833 -13.751 970 HD2 HIS 126 HD2 HIS 126 19.252 -19.232 -15.778 971 HE1 HIS 126 HE1 HIS 126 21.885 -15.910 -15.883 972 HE2 HIS 126 HE2 HIS 126 21.177 -18.038 -17.034 973 H HIS 127 H HIS 127 17.201 -16.926 -11.187 974 HA HIS 127 HA HIS 127 16.241 -17.488 -9.209 975 HB2 HIS 127 1HB HIS 127 13.976 -18.431 -10.979 976 HB3 HIS 127 2HB HIS 127 13.902 -18.420 -9.225 977 HD1 HIS 127 HD1 HIS 127 14.088 -15.988 -8.095 978 HD2 HIS 127 HD2 HIS 127 13.230 -16.097 -12.165 979 HE1 HIS 127 HE1 HIS 127 13.114 -13.737 -8.646 980 HE2 HIS 127 HE2 HIS 127 12.315 -13.958 -11.022 981 H HIS 128 H HIS 128 14.585 -20.134 -10.730 982 HA HIS 128 HA HIS 128 16.695 -22.039 -10.282 983 HB2 HIS 128 1HB HIS 128 15.247 -23.516 -8.839 984 HB3 HIS 128 2HB HIS 128 15.840 -22.066 -8.045 985 HD1 HIS 128 HD1 HIS 128 14.140 -20.409 -7.184 986 HD2 HIS 128 HD2 HIS 128 12.434 -23.521 -9.356 987 HE1 HIS 128 HE1 HIS 128 11.668 -20.242 -6.780 988 HE2 HIS 128 HE2 HIS 128 10.678 -22.243 -7.950 989 H HIS 129 H HIS 129 15.832 -21.307 -12.573 990 HA HIS 129 HA HIS 129 13.478 -22.315 -13.653 991 HB2 HIS 129 1HB HIS 129 15.261 -20.658 -14.595 992 HB3 HIS 129 2HB HIS 129 16.009 -22.105 -15.261 993 HD1 HIS 129 HD1 HIS 129 14.535 -19.627 -16.774 994 HD2 HIS 129 HD2 HIS 129 13.117 -23.511 -16.260 995 HE1 HIS 129 HE1 HIS 129 12.878 -20.009 -18.638 996 HE2 HIS 129 HE2 HIS 129 12.117 -22.399 -18.368 997 H HIS 130 H HIS 130 12.970 -24.400 -13.262 998 HA HIS 130 HA HIS 130 14.643 -26.437 -14.549 999 HB2 HIS 130 1HB HIS 130 13.542 -26.581 -11.733 1000 HB3 HIS 130 2HB HIS 130 14.051 -28.003 -12.631 1001 HD1 HIS 130 HD1 HIS 130 16.574 -28.392 -12.917 1002 HD2 HIS 130 HD2 HIS 130 15.631 -24.950 -10.777 1003 HE1 HIS 130 HE1 HIS 130 18.728 -27.638 -11.852 1004 HE2 HIS 130 HE2 HIS 130 18.093 -25.662 -10.418 Start of MODEL 17 1 H1 MET 1 1H MET 1 -22.677 -3.769 18.676 2 H2 MET 1 2H MET 1 -21.322 -3.865 17.664 3 H3 MET 1 3H MET 1 -21.626 -5.096 18.792 4 HA MET 1 HA MET 1 -23.658 -5.677 17.636 5 HB2 MET 1 1HB MET 1 -22.784 -3.405 15.879 6 HB3 MET 1 2HB MET 1 -23.746 -4.718 15.216 7 HG2 MET 1 1HG MET 1 -25.193 -2.918 15.829 8 HG3 MET 1 2HG MET 1 -25.471 -4.273 16.919 9 HE1 MET 1 3HE MET 1 -24.113 -0.651 16.497 10 HE2 MET 1 1HE MET 1 -22.627 -1.534 16.839 11 HE3 MET 1 2HE MET 1 -23.257 -0.382 18.015 12 H ASN 2 H ASN 2 -23.610 -7.314 16.087 13 HA ASN 2 HA ASN 2 -22.626 -9.273 15.504 14 HB2 ASN 2 1HB ASN 2 -21.252 -9.139 13.474 15 HB3 ASN 2 2HB ASN 2 -22.676 -8.115 13.376 16 HD21 ASN 2 2HD2 ASN 2 -22.436 -5.918 13.220 17 HD22 ASN 2 1HD2 ASN 2 -20.906 -5.156 12.948 18 H ASP 3 H ASP 3 -21.469 -8.244 17.843 19 HA ASP 3 HA ASP 3 -18.708 -9.233 17.575 20 HB2 ASP 3 1HB ASP 3 -18.052 -7.832 19.430 21 HB3 ASP 3 2HB ASP 3 -18.844 -6.828 18.222 22 H ASP 4 H ASP 4 -17.887 -10.331 19.526 23 HA ASP 4 HA ASP 4 -17.952 -12.146 20.874 24 HB2 ASP 4 1HB ASP 4 -19.342 -10.560 22.302 25 HB3 ASP 4 2HB ASP 4 -20.767 -11.355 21.642 26 H VAL 5 H VAL 5 -21.406 -12.396 20.566 27 HA VAL 5 HA VAL 5 -22.814 -13.849 19.562 28 HB VAL 5 HB VAL 5 -22.065 -12.279 17.699 29 HG11 VAL 5 1HG1 VAL 5 -19.888 -13.205 17.213 30 HG12 VAL 5 2HG1 VAL 5 -20.923 -13.308 15.788 31 HG13 VAL 5 3HG1 VAL 5 -20.617 -14.745 16.761 32 HG21 VAL 5 3HG2 VAL 5 -23.314 -13.532 15.985 33 HG22 VAL 5 1HG2 VAL 5 -24.112 -13.540 17.558 34 HG23 VAL 5 2HG2 VAL 5 -23.233 -14.965 17.008 35 H ASP 6 H ASP 6 -20.283 -15.039 20.759 36 HA ASP 6 HA ASP 6 -19.379 -17.087 21.111 37 HB2 ASP 6 1HB ASP 6 -21.619 -18.126 19.359 38 HB3 ASP 6 2HB ASP 6 -20.565 -19.109 20.369 39 H ILE 7 H ILE 7 -18.221 -18.878 20.054 40 HA ILE 7 HA ILE 7 -16.671 -19.638 18.597 41 HB ILE 7 HB ILE 7 -18.378 -18.366 16.449 42 HG12 ILE 7 1HG1 ILE 7 -18.402 -21.180 17.566 43 HG13 ILE 7 2HG1 ILE 7 -19.638 -19.960 17.851 44 HG21 ILE 7 1HG2 ILE 7 -16.143 -18.904 15.659 45 HG22 ILE 7 2HG2 ILE 7 -17.317 -20.027 14.969 46 HG23 ILE 7 3HG2 ILE 7 -16.286 -20.538 16.307 47 HD11 ILE 7 3HD1 ILE 7 -18.939 -21.193 15.195 48 HD12 ILE 7 1HD1 ILE 7 -20.173 -19.961 15.464 49 HD13 ILE 7 2HD1 ILE 7 -20.353 -21.562 16.182 50 H GLN 8 H GLN 8 -15.113 -18.285 19.502 51 HA GLN 8 HA GLN 8 -14.592 -15.693 18.294 52 HB2 GLN 8 1HB GLN 8 -12.995 -17.188 20.380 53 HB3 GLN 8 2HB GLN 8 -12.839 -15.489 19.964 54 HG2 GLN 8 1HG GLN 8 -15.225 -16.799 21.250 55 HG3 GLN 8 2HG GLN 8 -14.044 -15.763 22.043 56 HE21 GLN 8 2HE2 GLN 8 -16.754 -15.900 19.901 57 HE22 GLN 8 1HE2 GLN 8 -17.085 -14.206 19.868 58 H GLN 9 H GLN 9 -14.438 -17.472 16.342 59 HA GLN 9 HA GLN 9 -12.071 -18.890 15.945 60 HB2 GLN 9 1HB GLN 9 -14.165 -19.137 14.620 61 HB3 GLN 9 2HB GLN 9 -13.807 -17.608 13.830 62 HG2 GLN 9 1HG GLN 9 -11.784 -18.544 12.882 63 HG3 GLN 9 2HG GLN 9 -12.073 -20.067 13.723 64 HE21 GLN 9 2HE2 GLN 9 -12.110 -21.200 11.775 65 HE22 GLN 9 1HE2 GLN 9 -13.458 -21.119 10.692 66 H SER 10 H SER 10 -12.942 -15.596 15.080 67 HA SER 10 HA SER 10 -11.781 -13.762 14.505 68 HB2 SER 10 1HB SER 10 -9.673 -13.375 15.828 69 HB3 SER 10 2HB SER 10 -11.103 -13.781 16.773 70 HG SER 10 HG SER 10 -10.315 -15.937 16.879 71 H TYR 11 H TYR 11 -8.912 -15.749 14.789 72 HA TYR 11 HA TYR 11 -7.214 -16.252 13.363 73 HB2 TYR 11 1HB TYR 11 -9.150 -15.291 11.261 74 HB3 TYR 11 2HB TYR 11 -7.484 -15.696 10.864 75 HD1 TYR 11 HD1 TYR 11 -6.857 -18.092 12.207 76 HD2 TYR 11 HD2 TYR 11 -10.606 -16.922 10.577 77 HE1 TYR 11 HE1 TYR 11 -7.478 -20.457 11.955 78 HE2 TYR 11 HE2 TYR 11 -11.239 -19.282 10.324 79 HH TYR 11 HH TYR 11 -9.417 -21.836 11.755 80 HA PRO 12 HA PRO 12 -4.849 -12.516 13.275 81 HB2 PRO 12 1HB PRO 12 -3.157 -13.004 11.160 82 HB3 PRO 12 2HB PRO 12 -2.923 -13.643 12.789 83 HG2 PRO 12 1HG PRO 12 -4.090 -14.968 10.379 84 HG3 PRO 12 2HG PRO 12 -3.007 -15.635 11.615 85 HD2 PRO 12 1HD PRO 12 -5.648 -16.156 11.611 86 HD3 PRO 12 2HD PRO 12 -4.732 -15.978 13.120 87 H PHE 13 H PHE 13 -4.319 -10.639 11.885 88 HA PHE 13 HA PHE 13 -6.620 -9.832 10.481 89 HB2 PHE 13 1HB PHE 13 -3.891 -8.531 10.420 90 HB3 PHE 13 2HB PHE 13 -5.428 -7.770 10.025 91 HD1 PHE 13 HD2 PHE 13 -7.172 -8.563 12.193 92 HD2 PHE 13 HD1 PHE 13 -3.057 -7.502 12.283 93 HE1 PHE 13 HE2 PHE 13 -7.410 -7.860 14.539 94 HE2 PHE 13 HE1 PHE 13 -3.284 -6.802 14.630 95 HZ PHE 13 HZ PHE 13 -5.462 -6.975 15.763 96 H SER 14 H SER 14 -7.108 -9.719 8.375 97 HA SER 14 HA SER 14 -5.047 -10.487 6.427 98 HB2 SER 14 1HB SER 14 -6.893 -11.593 5.119 99 HB3 SER 14 2HB SER 14 -6.524 -12.387 6.650 100 HG SER 14 HG SER 14 -8.382 -11.665 7.507 101 H ILE 15 H ILE 15 -4.737 -9.001 4.889 102 HA ILE 15 HA ILE 15 -6.739 -6.868 4.641 103 HB ILE 15 HB ILE 15 -3.874 -6.910 3.681 104 HG12 ILE 15 1HG1 ILE 15 -5.166 -5.564 6.066 105 HG13 ILE 15 2HG1 ILE 15 -4.022 -6.901 6.121 106 HG21 ILE 15 1HG2 ILE 15 -5.275 -5.472 2.310 107 HG22 ILE 15 2HG2 ILE 15 -4.209 -4.495 3.322 108 HG23 ILE 15 3HG2 ILE 15 -5.909 -4.679 3.754 109 HD11 ILE 15 3HD1 ILE 15 -2.293 -5.468 5.195 110 HD12 ILE 15 1HD1 ILE 15 -2.964 -4.787 6.676 111 HD13 ILE 15 2HD1 ILE 15 -3.441 -4.132 5.110 112 H GLU 16 H GLU 16 -8.121 -7.072 3.042 113 HA GLU 16 HA GLU 16 -7.362 -8.573 0.655 114 HB2 GLU 16 1HB GLU 16 -9.544 -9.053 1.758 115 HB3 GLU 16 2HB GLU 16 -10.053 -7.406 1.404 116 HG2 GLU 16 1HG GLU 16 -9.879 -7.836 -0.972 117 HG3 GLU 16 2HG GLU 16 -9.290 -9.466 -0.652 118 H THR 17 H THR 17 -6.509 -7.510 -0.978 119 HA THR 17 HA THR 17 -6.868 -4.625 -1.164 120 HB THR 17 HB THR 17 -5.074 -4.812 -2.933 121 HG1 THR 17 HG1 THR 17 -4.732 -7.464 -1.938 122 HG21 THR 17 3HG2 THR 17 -4.385 -5.956 -0.222 123 HG22 THR 17 1HG2 THR 17 -4.570 -4.239 -0.589 124 HG23 THR 17 2HG2 THR 17 -3.266 -5.166 -1.334 125 H MET 18 H MET 18 -7.961 -3.624 -2.752 126 HA MET 18 HA MET 18 -9.783 -5.055 -4.366 127 HB2 MET 18 1HB MET 18 -8.838 -2.188 -4.506 128 HB3 MET 18 2HB MET 18 -10.116 -2.838 -5.526 129 HG2 MET 18 1HG MET 18 -10.146 -2.731 -2.518 130 HG3 MET 18 2HG MET 18 -11.006 -1.638 -3.601 131 HE1 MET 18 3HE MET 18 -12.994 -2.389 -5.187 132 HE2 MET 18 1HE MET 18 -13.592 -4.045 -5.293 133 HE3 MET 18 2HE MET 18 -11.980 -3.651 -5.889 134 HA PRO 19 HA PRO 19 -7.334 -6.584 -7.677 135 HB2 PRO 19 1HB PRO 19 -9.289 -6.156 -9.656 136 HB3 PRO 19 2HB PRO 19 -9.058 -7.623 -8.704 137 HG2 PRO 19 1HG PRO 19 -10.974 -5.382 -8.299 138 HG3 PRO 19 2HG PRO 19 -11.182 -7.114 -7.979 139 HD2 PRO 19 1HD PRO 19 -10.782 -5.377 -5.987 140 HD3 PRO 19 2HD PRO 19 -10.047 -6.995 -5.950 141 H VAL 20 H VAL 20 -5.757 -5.544 -8.672 142 HA VAL 20 HA VAL 20 -6.011 -2.764 -9.340 143 HB VAL 20 HB VAL 20 -3.621 -2.985 -10.105 144 HG11 VAL 20 1HG1 VAL 20 -4.160 -2.223 -7.870 145 HG12 VAL 20 2HG1 VAL 20 -2.736 -3.261 -7.819 146 HG13 VAL 20 3HG1 VAL 20 -4.303 -3.888 -7.307 147 HG21 VAL 20 3HG2 VAL 20 -2.400 -5.004 -9.486 148 HG22 VAL 20 1HG2 VAL 20 -3.646 -5.362 -10.683 149 HG23 VAL 20 2HG2 VAL 20 -3.906 -5.774 -8.987 150 HA PRO 21 HA PRO 21 -7.074 -3.118 -13.521 151 HB2 PRO 21 1HB PRO 21 -6.199 -0.813 -14.522 152 HB3 PRO 21 2HB PRO 21 -7.391 -0.852 -13.217 153 HG2 PRO 21 1HG PRO 21 -4.453 -0.301 -13.090 154 HG3 PRO 21 2HG PRO 21 -5.784 0.465 -12.202 155 HD2 PRO 21 1HD PRO 21 -4.127 -1.538 -11.224 156 HD3 PRO 21 2HD PRO 21 -5.708 -1.091 -10.553 157 H LYS 22 H LYS 22 -6.407 -2.902 -15.818 158 HA LYS 22 HA LYS 22 -3.762 -4.117 -16.200 159 HB2 LYS 22 1HB LYS 22 -5.855 -5.400 -16.723 160 HB3 LYS 22 2HB LYS 22 -6.203 -4.220 -17.976 161 HG2 LYS 22 1HG LYS 22 -4.259 -4.873 -19.207 162 HG3 LYS 22 2HG LYS 22 -3.741 -5.937 -17.896 163 HD2 LYS 22 1HD LYS 22 -4.809 -7.206 -19.693 164 HD3 LYS 22 2HD LYS 22 -5.740 -7.297 -18.198 165 HE2 LYS 22 1HE LYS 22 -7.197 -5.479 -19.066 166 HE3 LYS 22 2HE LYS 22 -6.322 -5.559 -20.593 167 HZ1 LYS 22 3HZ LYS 22 -7.929 -7.733 -19.356 168 HZ2 LYS 22 1HZ LYS 22 -7.003 -7.903 -20.772 169 HZ3 LYS 22 2HZ LYS 22 -8.329 -6.842 -20.743 170 H LYS 23 H LYS 23 -4.859 -1.153 -16.274 171 HA LYS 23 HA LYS 23 -3.311 -0.377 -18.638 172 HB2 LYS 23 1HB LYS 23 -5.142 1.393 -19.059 173 HB3 LYS 23 2HB LYS 23 -5.449 -0.260 -19.576 174 HG2 LYS 23 1HG LYS 23 -6.707 -0.618 -17.456 175 HG3 LYS 23 2HG LYS 23 -6.516 1.102 -17.113 176 HD2 LYS 23 1HD LYS 23 -7.728 0.138 -19.682 177 HD3 LYS 23 2HD LYS 23 -8.696 0.308 -18.216 178 HE2 LYS 23 1HE LYS 23 -7.039 2.530 -19.398 179 HE3 LYS 23 2HE LYS 23 -8.747 2.280 -19.762 180 HZ1 LYS 23 3HZ LYS 23 -7.512 3.035 -17.179 181 HZ2 LYS 23 1HZ LYS 23 -9.080 2.393 -17.261 182 HZ3 LYS 23 2HZ LYS 23 -8.719 3.842 -18.055 183 H LEU 24 H LEU 24 -2.075 1.458 -18.342 184 HA LEU 24 HA LEU 24 -2.631 3.210 -16.059 185 HB2 LEU 24 1HB LEU 24 -0.717 1.230 -15.840 186 HB3 LEU 24 2HB LEU 24 0.228 2.608 -16.357 187 HG LEU 24 HG LEU 24 -1.553 2.561 -13.916 188 HD11 LEU 24 1HD1 LEU 24 0.234 1.099 -13.478 189 HD12 LEU 24 2HD1 LEU 24 0.621 2.630 -12.685 190 HD13 LEU 24 3HD1 LEU 24 1.409 2.200 -14.205 191 HD21 LEU 24 3HD2 LEU 24 -0.412 4.612 -13.284 192 HD22 LEU 24 1HD2 LEU 24 -1.306 4.797 -14.791 193 HD23 LEU 24 2HD2 LEU 24 0.448 4.610 -14.827 194 H LYS 25 H LYS 25 -1.955 5.310 -16.362 195 HA LYS 25 HA LYS 25 -0.533 5.935 -18.862 196 HB2 LYS 25 1HB LYS 25 -2.038 7.879 -17.099 197 HB3 LYS 25 2HB LYS 25 -1.486 8.132 -18.749 198 HG2 LYS 25 1HG LYS 25 -3.096 6.476 -19.545 199 HG3 LYS 25 2HG LYS 25 -3.652 6.223 -17.889 200 HD2 LYS 25 1HD LYS 25 -4.218 8.674 -17.817 201 HD3 LYS 25 2HD LYS 25 -3.874 8.728 -19.548 202 HE2 LYS 25 1HE LYS 25 -5.959 7.005 -18.207 203 HE3 LYS 25 2HE LYS 25 -6.267 8.478 -19.125 204 HZ1 LYS 25 3HZ LYS 25 -5.044 6.002 -20.231 205 HZ2 LYS 25 1HZ LYS 25 -5.420 7.408 -21.103 206 HZ3 LYS 25 2HZ LYS 25 -6.662 6.468 -20.435 207 H VAL 26 H VAL 26 1.436 6.994 -18.733 208 HA VAL 26 HA VAL 26 2.825 6.776 -16.253 209 HB VAL 26 HB VAL 26 3.663 8.081 -18.853 210 HG11 VAL 26 1HG1 VAL 26 4.889 9.094 -17.012 211 HG12 VAL 26 2HG1 VAL 26 5.949 8.026 -17.931 212 HG13 VAL 26 3HG1 VAL 26 5.297 7.500 -16.380 213 HG21 VAL 26 3HG2 VAL 26 3.330 5.655 -18.968 214 HG22 VAL 26 1HG2 VAL 26 4.417 5.440 -17.595 215 HG23 VAL 26 2HG2 VAL 26 5.036 6.077 -19.119 216 H GLY 27 H GLY 27 2.568 8.106 -14.602 217 HA2 GLY 27 1HA GLY 27 2.888 10.335 -13.692 218 HA3 GLY 27 2HA GLY 27 2.159 10.976 -15.160 219 H GLU 28 H GLU 28 0.402 8.325 -14.506 220 HA GLU 28 HA GLU 28 -1.669 9.897 -13.171 221 HB2 GLU 28 1HB GLU 28 -2.147 8.664 -15.312 222 HB3 GLU 28 2HB GLU 28 -1.905 7.158 -14.437 223 HG2 GLU 28 1HG GLU 28 -4.277 7.762 -14.717 224 HG3 GLU 28 2HG GLU 28 -3.793 7.609 -13.028 225 H THR 29 H THR 29 -2.973 8.853 -11.493 226 HA THR 29 HA THR 29 -1.183 7.383 -9.673 227 HB THR 29 HB THR 29 -3.541 9.143 -8.973 228 HG1 THR 29 HG1 THR 29 -1.876 10.406 -9.824 229 HG21 THR 29 3HG2 THR 29 -2.578 9.087 -6.706 230 HG22 THR 29 1HG2 THR 29 -1.360 7.941 -7.264 231 HG23 THR 29 2HG2 THR 29 -3.063 7.484 -7.255 232 H ALA 30 H ALA 30 -1.840 5.544 -8.676 233 HA ALA 30 HA ALA 30 -4.487 4.469 -9.408 234 HB1 ALA 30 3HB ALA 30 -2.017 2.946 -8.564 235 HB2 ALA 30 1HB ALA 30 -2.530 3.193 -10.237 236 HB3 ALA 30 2HB ALA 30 -3.538 2.258 -9.130 237 H GLU 31 H GLU 31 -5.942 4.370 -7.805 238 HA GLU 31 HA GLU 31 -5.041 4.603 -5.049 239 HB2 GLU 31 1HB GLU 31 -7.502 4.725 -4.529 240 HB3 GLU 31 2HB GLU 31 -6.893 6.009 -5.561 241 HG2 GLU 31 1HG GLU 31 -7.818 4.892 -7.515 242 HG3 GLU 31 2HG GLU 31 -8.394 3.574 -6.497 243 H ILE 32 H ILE 32 -4.227 2.755 -4.354 244 HA ILE 32 HA ILE 32 -5.520 0.209 -4.860 245 HB ILE 32 HB ILE 32 -3.212 0.748 -2.979 246 HG12 ILE 32 1HG1 ILE 32 -3.047 -0.063 -5.892 247 HG13 ILE 32 2HG1 ILE 32 -2.771 1.579 -5.314 248 HG21 ILE 32 1HG2 ILE 32 -4.307 -1.417 -2.712 249 HG22 ILE 32 2HG2 ILE 32 -2.689 -1.610 -3.387 250 HG23 ILE 32 3HG2 ILE 32 -4.103 -1.743 -4.434 251 HD11 ILE 32 3HD1 ILE 32 -0.681 0.410 -5.697 252 HD12 ILE 32 1HD1 ILE 32 -1.162 -0.854 -4.566 253 HD13 ILE 32 2HD1 ILE 32 -0.880 0.788 -3.986 254 H ARG 33 H ARG 33 -7.390 -0.023 -3.790 255 HA ARG 33 HA ARG 33 -7.700 1.053 -1.116 256 HB2 ARG 33 1HB ARG 33 -9.678 -0.488 -2.804 257 HB3 ARG 33 2HB ARG 33 -10.036 0.435 -1.349 258 HG2 ARG 33 1HG ARG 33 -9.455 2.495 -2.468 259 HG3 ARG 33 2HG ARG 33 -8.976 1.604 -3.914 260 HD2 ARG 33 1HD ARG 33 -11.292 0.759 -4.101 261 HD3 ARG 33 2HD ARG 33 -11.737 1.757 -2.719 262 HE ARG 33 HE ARG 33 -10.525 3.346 -4.715 263 HH11 ARG 33 1HH1 ARG 33 -13.493 1.617 -4.044 264 HH12 ARG 33 2HH1 ARG 33 -14.472 2.669 -5.026 265 HH21 ARG 33 1HH2 ARG 33 -11.798 4.731 -5.999 266 HH22 ARG 33 2HH2 ARG 33 -13.518 4.458 -6.114 267 H CYS 34 H CYS 34 -7.279 -0.082 0.643 268 HA CYS 34 HA CYS 34 -7.229 -3.024 0.432 269 HB2 CYS 34 1HB CYS 34 -5.458 -1.317 2.193 270 HB3 CYS 34 2HB CYS 34 -5.333 -3.052 1.922 271 HG CYS 34 HG CYS 34 -4.694 -0.611 -0.393 272 H GLN 35 H GLN 35 -8.525 -4.066 1.807 273 HA GLN 35 HA GLN 35 -9.571 -2.559 4.117 274 HB2 GLN 35 1HB GLN 35 -10.823 -4.849 2.583 275 HB3 GLN 35 2HB GLN 35 -11.511 -4.116 4.025 276 HG2 GLN 35 1HG GLN 35 -11.652 -1.966 2.825 277 HG3 GLN 35 2HG GLN 35 -11.044 -2.761 1.376 278 HE21 GLN 35 2HE2 GLN 35 -13.246 -4.286 3.617 279 HE22 GLN 35 1HE2 GLN 35 -14.616 -4.303 2.562 280 H LEU 36 H LEU 36 -8.606 -3.134 5.932 281 HA LEU 36 HA LEU 36 -7.451 -5.784 6.214 282 HB2 LEU 36 1HB LEU 36 -6.193 -3.763 6.894 283 HB3 LEU 36 2HB LEU 36 -7.423 -3.411 8.091 284 HG LEU 36 HG LEU 36 -5.991 -6.038 8.232 285 HD11 LEU 36 1HD1 LEU 36 -4.227 -5.031 9.575 286 HD12 LEU 36 2HD1 LEU 36 -4.890 -3.424 9.268 287 HD13 LEU 36 3HD1 LEU 36 -4.219 -4.370 7.940 288 HD21 LEU 36 3HD2 LEU 36 -6.331 -5.700 10.633 289 HD22 LEU 36 1HD2 LEU 36 -7.854 -5.608 9.747 290 HD23 LEU 36 2HD2 LEU 36 -7.071 -4.131 10.308 291 H HIS 37 H HIS 37 -8.560 -7.401 7.041 292 HA HIS 37 HA HIS 37 -10.984 -6.948 8.562 293 HB2 HIS 37 1HB HIS 37 -9.590 -9.587 8.058 294 HB3 HIS 37 2HB HIS 37 -11.262 -9.342 8.544 295 HD1 HIS 37 HD1 HIS 37 -9.575 -10.439 5.760 296 HD2 HIS 37 HD2 HIS 37 -12.461 -7.487 6.283 297 HE1 HIS 37 HE1 HIS 37 -10.603 -10.083 3.490 298 HE2 HIS 37 HE2 HIS 37 -12.346 -8.291 3.821 299 H ARG 38 H ARG 38 -10.905 -6.535 10.674 300 HA ARG 38 HA ARG 38 -8.692 -7.719 12.205 301 HB2 ARG 38 1HB ARG 38 -8.315 -5.750 13.416 302 HB3 ARG 38 2HB ARG 38 -8.458 -5.232 11.747 303 HG2 ARG 38 1HG ARG 38 -10.669 -5.059 13.782 304 HG3 ARG 38 2HG ARG 38 -9.574 -3.741 13.373 305 HD2 ARG 38 1HD ARG 38 -10.362 -3.955 11.002 306 HD3 ARG 38 2HD ARG 38 -11.587 -5.085 11.580 307 HE ARG 38 HE ARG 38 -11.477 -2.458 12.848 308 HH11 ARG 38 1HH1 ARG 38 -13.093 -4.626 10.614 309 HH12 ARG 38 2HH1 ARG 38 -14.510 -3.630 10.489 310 HH21 ARG 38 1HH2 ARG 38 -13.328 -1.151 12.661 311 HH22 ARG 38 2HH2 ARG 38 -14.659 -1.664 11.668 312 H ASP 39 H ASP 39 -9.134 -7.520 14.615 313 HA ASP 39 HA ASP 39 -11.808 -8.560 15.126 314 HB2 ASP 39 1HB ASP 39 -10.184 -10.081 15.904 315 HB3 ASP 39 2HB ASP 39 -9.160 -8.797 16.540 316 H GLY 40 H GLY 40 -13.011 -7.819 16.914 317 HA2 GLY 40 1HA GLY 40 -12.433 -5.010 17.596 318 HA3 GLY 40 2HA GLY 40 -14.034 -5.735 17.566 319 H ARG 41 H ARG 41 -12.244 -8.060 18.910 320 HA ARG 41 HA ARG 41 -13.201 -7.485 21.555 321 HB2 ARG 41 1HB ARG 41 -13.161 -9.769 20.624 322 HB3 ARG 41 2HB ARG 41 -11.407 -9.702 20.549 323 HG2 ARG 41 1HG ARG 41 -11.333 -9.475 22.996 324 HG3 ARG 41 2HG ARG 41 -13.090 -9.635 23.042 325 HD2 ARG 41 1HD ARG 41 -12.937 -11.848 22.049 326 HD3 ARG 41 2HD ARG 41 -11.187 -11.685 21.924 327 HE ARG 41 HE ARG 41 -12.672 -11.834 24.477 328 HH11 ARG 41 1HH1 ARG 41 -9.826 -12.419 22.533 329 HH12 ARG 41 2HH1 ARG 41 -8.944 -13.211 23.802 330 HH21 ARG 41 1HH2 ARG 41 -11.557 -12.922 26.148 331 HH22 ARG 41 2HH2 ARG 41 -9.945 -13.511 25.874 332 H PHE 42 H PHE 42 -10.102 -7.440 19.891 333 HA PHE 42 HA PHE 42 -8.653 -6.646 22.272 334 HB2 PHE 42 1HB PHE 42 -7.827 -6.826 19.369 335 HB3 PHE 42 2HB PHE 42 -6.737 -6.375 20.677 336 HD1 PHE 42 HD1 PHE 42 -7.452 -8.213 22.793 337 HD2 PHE 42 HD2 PHE 42 -7.136 -8.890 18.607 338 HE1 PHE 42 HE1 PHE 42 -6.953 -10.588 23.218 339 HE2 PHE 42 HE2 PHE 42 -6.644 -11.265 19.021 340 HZ PHE 42 HZ PHE 42 -6.552 -12.119 21.330 341 H GLU 43 H GLU 43 -10.886 -5.011 21.235 342 HA GLU 43 HA GLU 43 -11.480 -2.835 21.169 343 HB2 GLU 43 1HB GLU 43 -8.659 -2.415 22.157 344 HB3 GLU 43 2HB GLU 43 -9.854 -1.132 22.030 345 HG2 GLU 43 1HG GLU 43 -10.057 -3.588 23.757 346 HG3 GLU 43 2HG GLU 43 -9.685 -1.953 24.302 347 H GLU 44 H GLU 44 -8.214 -1.880 20.431 348 HA GLU 44 HA GLU 44 -8.635 -1.568 17.619 349 HB2 GLU 44 1HB GLU 44 -8.561 0.961 17.756 350 HB3 GLU 44 2HB GLU 44 -10.067 0.220 18.276 351 HG2 GLU 44 1HG GLU 44 -9.102 0.357 20.643 352 HG3 GLU 44 2HG GLU 44 -7.925 1.471 19.951 353 H THR 45 H THR 45 -6.646 -2.314 17.155 354 HA THR 45 HA THR 45 -4.381 -1.431 18.760 355 HB THR 45 HB THR 45 -4.664 -3.853 18.280 356 HG1 THR 45 HG1 THR 45 -2.593 -3.537 18.702 357 HG21 THR 45 3HG2 THR 45 -5.562 -3.730 16.027 358 HG22 THR 45 1HG2 THR 45 -4.090 -4.701 16.040 359 HG23 THR 45 2HG2 THR 45 -4.047 -3.044 15.438 360 H LYS 46 H LYS 46 -2.273 -1.153 17.432 361 HA LYS 46 HA LYS 46 -2.838 0.909 15.424 362 HB2 LYS 46 1HB LYS 46 -0.342 0.387 17.054 363 HB3 LYS 46 2HB LYS 46 -0.518 1.671 15.866 364 HG2 LYS 46 1HG LYS 46 -2.305 2.665 17.201 365 HG3 LYS 46 2HG LYS 46 -2.126 1.377 18.393 366 HD2 LYS 46 1HD LYS 46 -0.967 3.403 19.102 367 HD3 LYS 46 2HD LYS 46 0.173 2.085 18.819 368 HE2 LYS 46 1HE LYS 46 0.755 3.012 16.664 369 HE3 LYS 46 2HE LYS 46 -0.463 4.274 16.844 370 HZ1 LYS 46 3HZ LYS 46 1.735 5.112 17.356 371 HZ2 LYS 46 1HZ LYS 46 1.945 3.925 18.551 372 HZ3 LYS 46 2HZ LYS 46 0.766 5.125 18.750 373 H TYR 47 H TYR 47 -2.286 0.622 13.368 374 HA TYR 47 HA TYR 47 -0.780 -1.801 12.669 375 HB2 TYR 47 1HB TYR 47 -2.483 -0.101 10.834 376 HB3 TYR 47 2HB TYR 47 -1.879 -1.728 10.536 377 HD1 TYR 47 HD1 TYR 47 -2.826 -3.645 11.854 378 HD2 TYR 47 HD2 TYR 47 -4.525 0.255 11.976 379 HE1 TYR 47 HE1 TYR 47 -4.901 -4.582 12.778 380 HE2 TYR 47 HE2 TYR 47 -6.605 -0.673 12.902 381 HH TYR 47 HH TYR 47 -7.793 -2.741 13.044 382 H PHE 48 H PHE 48 0.919 -1.677 11.146 383 HA PHE 48 HA PHE 48 1.942 1.047 10.685 384 HB2 PHE 48 1HB PHE 48 3.549 -1.405 11.433 385 HB3 PHE 48 2HB PHE 48 4.232 0.158 11.000 386 HD1 PHE 48 HD2 PHE 48 3.779 2.133 12.471 387 HD2 PHE 48 HD1 PHE 48 2.806 -1.849 13.616 388 HE1 PHE 48 HE2 PHE 48 3.646 2.847 14.821 389 HE2 PHE 48 HE1 PHE 48 2.669 -1.144 15.966 390 HZ PHE 48 HZ PHE 48 3.092 1.207 16.571 391 H ILE 49 H ILE 49 2.825 1.467 8.722 392 HA ILE 49 HA ILE 49 2.771 -0.724 6.759 393 HB ILE 49 HB ILE 49 0.823 0.661 6.393 394 HG12 ILE 49 1HG1 ILE 49 2.968 1.195 4.327 395 HG13 ILE 49 2HG1 ILE 49 1.953 -0.240 4.419 396 HG21 ILE 49 1HG2 ILE 49 1.552 2.697 7.469 397 HG22 ILE 49 2HG2 ILE 49 1.015 3.041 5.824 398 HG23 ILE 49 3HG2 ILE 49 2.738 2.977 6.195 399 HD11 ILE 49 3HD1 ILE 49 1.186 1.297 2.697 400 HD12 ILE 49 1HD1 ILE 49 0.979 2.561 3.911 401 HD13 ILE 49 2HD1 ILE 49 -0.017 1.108 3.974 402 H ARG 50 H ARG 50 4.544 -0.992 5.621 403 HA ARG 50 HA ARG 50 6.210 1.256 4.851 404 HB2 ARG 50 1HB ARG 50 7.144 0.394 7.054 405 HB3 ARG 50 2HB ARG 50 7.456 -1.134 6.240 406 HG2 ARG 50 1HG ARG 50 8.909 0.068 4.637 407 HG3 ARG 50 2HG ARG 50 8.656 1.544 5.572 408 HD2 ARG 50 1HD ARG 50 10.702 0.666 6.330 409 HD3 ARG 50 2HD ARG 50 9.523 0.252 7.573 410 HE ARG 50 HE ARG 50 10.147 -1.740 5.519 411 HH11 ARG 50 1HH1 ARG 50 10.388 -0.680 8.852 412 HH12 ARG 50 2HH1 ARG 50 10.954 -2.223 9.427 413 HH21 ARG 50 1HH2 ARG 50 10.895 -3.766 6.283 414 HH22 ARG 50 2HH2 ARG 50 11.234 -3.963 7.978 415 H TYR 51 H TYR 51 7.257 0.816 2.869 416 HA TYR 51 HA TYR 51 6.956 -1.928 1.873 417 HB2 TYR 51 1HB TYR 51 6.110 -1.211 -0.250 418 HB3 TYR 51 2HB TYR 51 5.098 -0.490 0.994 419 HD1 TYR 51 HD1 TYR 51 5.304 1.943 1.487 420 HD2 TYR 51 HD2 TYR 51 7.366 0.123 -1.757 421 HE1 TYR 51 HE1 TYR 51 5.650 4.154 0.469 422 HE2 TYR 51 HE2 TYR 51 7.721 2.328 -2.783 423 HH TYR 51 HH TYR 51 6.986 5.278 -1.092 424 H PHE 52 H PHE 52 8.267 -2.293 -0.134 425 HA PHE 52 HA PHE 52 10.644 -0.572 -0.244 426 HB2 PHE 52 1HB PHE 52 11.069 -2.532 1.256 427 HB3 PHE 52 2HB PHE 52 10.734 -3.595 -0.106 428 HD1 PHE 52 HD1 PHE 52 13.058 -1.087 1.243 429 HD2 PHE 52 HD2 PHE 52 12.361 -3.984 -1.793 430 HE1 PHE 52 HE1 PHE 52 15.420 -0.952 0.579 431 HE2 PHE 52 HE2 PHE 52 14.723 -3.854 -2.464 432 HZ PHE 52 HZ PHE 52 16.257 -2.338 -1.277 433 H GLN 53 H GLN 53 11.009 0.016 -2.273 434 HA GLN 53 HA GLN 53 10.130 -1.794 -4.414 435 HB2 GLN 53 1HB GLN 53 10.059 0.235 -5.880 436 HB3 GLN 53 2HB GLN 53 8.879 0.240 -4.580 437 HG2 GLN 53 1HG GLN 53 10.200 1.809 -3.323 438 HG3 GLN 53 2HG GLN 53 11.501 1.714 -4.509 439 HE21 GLN 53 2HE2 GLN 53 8.317 2.950 -3.838 440 HE22 GLN 53 1HE2 GLN 53 8.247 4.054 -5.167 441 HA PRO 54 HA PRO 54 14.606 -2.013 -5.018 442 HB2 PRO 54 1HB PRO 54 13.979 -4.356 -6.630 443 HB3 PRO 54 2HB PRO 54 14.885 -4.260 -5.121 444 HG2 PRO 54 1HG PRO 54 12.438 -5.422 -5.310 445 HG3 PRO 54 2HG PRO 54 13.039 -4.654 -3.830 446 HD2 PRO 54 1HD PRO 54 11.136 -3.593 -5.881 447 HD3 PRO 54 2HD PRO 54 11.084 -3.444 -4.110 448 H ASP 55 H ASP 55 11.960 -1.961 -7.243 449 HA ASP 55 HA ASP 55 13.726 -1.353 -9.497 450 HB2 ASP 55 1HB ASP 55 10.748 -1.873 -9.354 451 HB3 ASP 55 2HB ASP 55 11.575 -1.369 -10.823 452 H GLY 56 H GLY 56 13.444 0.581 -10.723 453 HA2 GLY 56 1HA GLY 56 12.876 2.896 -9.152 454 HA3 GLY 56 2HA GLY 56 13.242 2.874 -10.872 455 H ALA 57 H ALA 57 10.794 3.047 -8.489 456 HA ALA 57 HA ALA 57 8.723 2.917 -10.569 457 HB1 ALA 57 3HB ALA 57 8.439 2.229 -7.655 458 HB2 ALA 57 1HB ALA 57 8.648 1.067 -8.965 459 HB3 ALA 57 2HB ALA 57 7.205 2.075 -8.906 460 H GLY 58 H GLY 58 6.660 3.832 -8.746 461 HA2 GLY 58 1HA GLY 58 7.296 6.687 -9.040 462 HA3 GLY 58 2HA GLY 58 5.685 5.991 -9.045 463 H THR 59 H THR 59 5.132 7.626 -7.539 464 HA THR 59 HA THR 59 6.322 7.363 -4.864 465 HB THR 59 HB THR 59 4.674 9.642 -5.978 466 HG1 THR 59 HG1 THR 59 7.000 9.083 -6.792 467 HG21 THR 59 3HG2 THR 59 6.378 9.430 -3.491 468 HG22 THR 59 1HG2 THR 59 4.617 9.502 -3.542 469 HG23 THR 59 2HG2 THR 59 5.572 10.891 -4.059 470 H LEU 60 H LEU 60 5.121 6.574 -3.245 471 HA LEU 60 HA LEU 60 2.281 6.054 -3.749 472 HB2 LEU 60 1HB LEU 60 3.686 4.113 -3.232 473 HB3 LEU 60 2HB LEU 60 4.166 4.854 -1.719 474 HG LEU 60 HG LEU 60 1.821 4.726 -0.934 475 HD11 LEU 60 1HD1 LEU 60 0.686 4.782 -3.077 476 HD12 LEU 60 2HD1 LEU 60 0.225 3.341 -2.171 477 HD13 LEU 60 3HD1 LEU 60 1.375 3.215 -3.501 478 HD21 LEU 60 3HD2 LEU 60 2.972 2.094 -1.851 479 HD22 LEU 60 1HD2 LEU 60 1.779 2.318 -0.574 480 HD23 LEU 60 2HD2 LEU 60 3.413 2.957 -0.378 481 H LYS 61 H LYS 61 0.822 7.290 -2.796 482 HA LYS 61 HA LYS 61 1.520 8.636 -0.267 483 HB2 LYS 61 1HB LYS 61 -0.669 9.278 -2.253 484 HB3 LYS 61 2HB LYS 61 -0.391 10.139 -0.751 485 HG2 LYS 61 1HG LYS 61 1.780 10.890 -1.597 486 HG3 LYS 61 2HG LYS 61 1.484 10.017 -3.105 487 HD2 LYS 61 1HD LYS 61 -0.564 11.374 -3.442 488 HD3 LYS 61 2HD LYS 61 -0.160 12.297 -1.995 489 HE2 LYS 61 1HE LYS 61 1.575 12.090 -4.457 490 HE3 LYS 61 2HE LYS 61 0.489 13.432 -4.101 491 HZ1 LYS 61 3HZ LYS 61 2.744 13.961 -3.451 492 HZ2 LYS 61 1HZ LYS 61 2.810 12.592 -2.459 493 HZ3 LYS 61 2HZ LYS 61 1.755 13.856 -2.074 494 H MET 62 H MET 62 -0.163 8.756 1.343 495 HA MET 62 HA MET 62 -2.102 6.546 1.212 496 HB2 MET 62 1HB MET 62 -0.523 6.494 3.120 497 HB3 MET 62 2HB MET 62 -1.070 8.088 3.613 498 HG2 MET 62 1HG MET 62 -3.233 7.251 4.167 499 HG3 MET 62 2HG MET 62 -2.862 5.681 3.458 500 HE1 MET 62 3HE MET 62 -0.306 7.765 5.531 501 HE2 MET 62 1HE MET 62 -0.628 7.234 7.182 502 HE3 MET 62 2HE MET 62 -1.816 8.211 6.323 503 H SER 63 H SER 63 -4.300 7.044 2.037 504 HA SER 63 HA SER 63 -5.416 9.219 0.741 505 HB2 SER 63 1HB SER 63 -6.627 7.160 1.477 506 HB3 SER 63 2HB SER 63 -6.645 7.817 3.114 507 HG SER 63 HG SER 63 -7.660 9.732 2.047 508 H ASP 64 H ASP 64 -3.920 9.162 3.842 509 HA ASP 64 HA ASP 64 -5.196 11.445 4.961 510 HB2 ASP 64 1HB ASP 64 -3.956 9.800 6.328 511 HB3 ASP 64 2HB ASP 64 -2.456 10.286 5.545 512 H GLY 65 H GLY 65 -2.836 10.999 2.535 513 HA2 GLY 65 1HA GLY 65 -2.168 12.838 1.128 514 HA3 GLY 65 2HA GLY 65 -2.202 13.880 2.542 515 H THR 66 H THR 66 -0.954 11.217 3.742 516 HA THR 66 HA THR 66 1.688 12.203 3.924 517 HB THR 66 HB THR 66 1.072 9.336 4.480 518 HG1 THR 66 HG1 THR 66 0.288 11.001 6.514 519 HG21 THR 66 3HG2 THR 66 2.392 9.797 6.498 520 HG22 THR 66 1HG2 THR 66 2.495 11.500 6.047 521 HG23 THR 66 2HG2 THR 66 3.270 10.274 5.044 522 H VAL 67 H VAL 67 3.420 11.844 2.660 523 HA VAL 67 HA VAL 67 3.233 9.939 0.467 524 HB VAL 67 HB VAL 67 5.451 11.861 1.218 525 HG11 VAL 67 1HG1 VAL 67 5.145 10.119 -1.228 526 HG12 VAL 67 2HG1 VAL 67 6.351 9.927 0.047 527 HG13 VAL 67 3HG1 VAL 67 6.385 11.351 -0.994 528 HG21 VAL 67 3HG2 VAL 67 3.457 13.007 0.470 529 HG22 VAL 67 1HG2 VAL 67 3.356 11.961 -0.948 530 HG23 VAL 67 2HG2 VAL 67 4.699 13.095 -0.781 531 H LEU 68 H LEU 68 4.098 7.955 0.538 532 HA LEU 68 HA LEU 68 5.335 7.183 3.066 533 HB2 LEU 68 1HB LEU 68 4.303 5.434 0.834 534 HB3 LEU 68 2HB LEU 68 4.749 4.917 2.449 535 HG LEU 68 HG LEU 68 2.440 6.746 1.793 536 HD11 LEU 68 1HD1 LEU 68 2.469 3.840 2.589 537 HD12 LEU 68 2HD1 LEU 68 2.062 4.477 0.995 538 HD13 LEU 68 3HD1 LEU 68 1.033 4.842 2.381 539 HD21 LEU 68 3HD2 LEU 68 3.362 7.189 3.996 540 HD22 LEU 68 1HD2 LEU 68 3.289 5.471 4.391 541 HD23 LEU 68 2HD2 LEU 68 1.801 6.381 4.134 542 H LEU 69 H LEU 69 7.475 7.287 3.108 543 HA LEU 69 HA LEU 69 9.009 6.521 0.736 544 HB2 LEU 69 1HB LEU 69 9.777 7.824 3.344 545 HB3 LEU 69 2HB LEU 69 10.977 7.199 2.233 546 HG LEU 69 HG LEU 69 10.842 9.535 1.852 547 HD11 LEU 69 1HD1 LEU 69 11.024 8.216 -0.166 548 HD12 LEU 69 2HD1 LEU 69 10.071 9.668 -0.469 549 HD13 LEU 69 3HD1 LEU 69 9.267 8.110 -0.282 550 HD21 LEU 69 3HD2 LEU 69 7.856 9.214 1.580 551 HD22 LEU 69 1HD2 LEU 69 8.764 10.704 1.326 552 HD23 LEU 69 2HD2 LEU 69 8.700 9.973 2.930 553 HA PRO 70 HA PRO 70 9.768 2.445 2.313 554 HB2 PRO 70 1HB PRO 70 12.364 2.525 0.937 555 HB3 PRO 70 2HB PRO 70 10.967 1.491 0.631 556 HG2 PRO 70 1HG PRO 70 11.677 3.450 -1.066 557 HG3 PRO 70 2HG PRO 70 9.977 3.029 -0.786 558 HD2 PRO 70 1HD PRO 70 11.577 5.303 0.339 559 HD3 PRO 70 2HD PRO 70 9.913 5.300 -0.285 560 H ASN 71 H ASN 71 11.492 5.126 3.198 561 HA ASN 71 HA ASN 71 13.652 3.803 4.590 562 HB2 ASN 71 1HB ASN 71 14.083 5.951 3.536 563 HB3 ASN 71 2HB ASN 71 12.803 6.706 4.479 564 HD21 ASN 71 2HD2 ASN 71 13.171 7.262 6.605 565 HD22 ASN 71 1HD2 ASN 71 14.745 7.181 7.336 566 H ASP 72 H ASP 72 10.508 5.153 5.352 567 HA ASP 72 HA ASP 72 11.093 4.803 8.220 568 HB2 ASP 72 1HB ASP 72 9.335 6.836 6.849 569 HB3 ASP 72 2HB ASP 72 9.304 6.549 8.585 570 H LEU 73 H LEU 73 9.217 4.341 9.581 571 HA LEU 73 HA LEU 73 7.284 2.585 8.223 572 HB2 LEU 73 1HB LEU 73 8.732 1.530 9.918 573 HB3 LEU 73 2HB LEU 73 8.168 2.679 11.114 574 HG LEU 73 HG LEU 73 5.886 1.735 10.914 575 HD11 LEU 73 1HD1 LEU 73 5.598 -0.421 9.768 576 HD12 LEU 73 2HD1 LEU 73 7.231 -0.277 9.115 577 HD13 LEU 73 3HD1 LEU 73 5.988 0.885 8.649 578 HD21 LEU 73 3HD2 LEU 73 7.414 0.957 12.653 579 HD22 LEU 73 1HD2 LEU 73 8.043 -0.275 11.556 580 HD23 LEU 73 2HD2 LEU 73 6.365 -0.349 12.096 581 H TYR 74 H TYR 74 5.269 3.346 8.044 582 HA TYR 74 HA TYR 74 4.564 5.705 9.646 583 HB2 TYR 74 1HB TYR 74 3.328 4.702 7.072 584 HB3 TYR 74 2HB TYR 74 2.936 6.209 7.891 585 HD1 TYR 74 HD1 TYR 74 4.453 8.107 7.801 586 HD2 TYR 74 HD2 TYR 74 5.400 4.459 5.831 587 HE1 TYR 74 HE1 TYR 74 6.216 9.256 6.525 588 HE2 TYR 74 HE2 TYR 74 7.162 5.595 4.557 589 HH TYR 74 HH TYR 74 8.298 8.691 5.331 590 HA PRO 75 HA PRO 75 1.325 3.319 11.537 591 HB2 PRO 75 1HB PRO 75 -0.009 5.293 12.771 592 HB3 PRO 75 2HB PRO 75 1.608 4.803 13.286 593 HG2 PRO 75 1HG PRO 75 0.757 7.191 11.727 594 HG3 PRO 75 2HG PRO 75 2.076 7.022 12.897 595 HD2 PRO 75 1HD PRO 75 2.318 6.968 10.095 596 HD3 PRO 75 2HD PRO 75 3.554 6.466 11.265 597 H LEU 76 H LEU 76 -0.499 2.500 10.785 598 HA LEU 76 HA LEU 76 -1.995 3.868 8.715 599 HB2 LEU 76 1HB LEU 76 -2.221 1.133 9.963 600 HB3 LEU 76 2HB LEU 76 -3.393 1.737 8.806 601 HG LEU 76 HG LEU 76 -0.445 1.432 8.231 602 HD11 LEU 76 1HD1 LEU 76 -1.474 -0.747 8.603 603 HD12 LEU 76 2HD1 LEU 76 -1.098 -0.512 6.896 604 HD13 LEU 76 3HD1 LEU 76 -2.760 -0.346 7.465 605 HD21 LEU 76 3HD2 LEU 76 -1.142 1.741 5.904 606 HD22 LEU 76 1HD2 LEU 76 -1.548 3.145 6.891 607 HD23 LEU 76 2HD2 LEU 76 -2.804 1.993 6.434 608 HA PRO 77 HA PRO 77 -4.717 5.438 11.880 609 HB2 PRO 77 1HB PRO 77 -5.829 7.374 10.425 610 HB3 PRO 77 2HB PRO 77 -4.134 7.461 10.916 611 HG2 PRO 77 1HG PRO 77 -5.303 6.715 8.270 612 HG3 PRO 77 2HG PRO 77 -3.858 7.678 8.626 613 HD2 PRO 77 1HD PRO 77 -3.871 4.980 7.940 614 HD3 PRO 77 2HD PRO 77 -2.535 5.831 8.736 615 H GLY 78 H GLY 78 -5.536 3.420 9.427 616 HA2 GLY 78 1HA GLY 78 -8.305 3.318 10.257 617 HA3 GLY 78 2HA GLY 78 -8.063 3.808 8.588 618 H GLU 79 H GLU 79 -9.393 1.453 9.654 619 HA GLU 79 HA GLU 79 -7.716 -0.802 9.066 620 HB2 GLU 79 1HB GLU 79 -10.728 -0.708 9.336 621 HB3 GLU 79 2HB GLU 79 -9.721 -2.147 9.385 622 HG2 GLU 79 1HG GLU 79 -10.135 -1.794 11.610 623 HG3 GLU 79 2HG GLU 79 -8.592 -0.967 11.410 624 H THR 80 H THR 80 -10.374 0.881 7.444 625 HA THR 80 HA THR 80 -9.690 -0.504 4.950 626 HB THR 80 HB THR 80 -11.789 0.528 4.061 627 HG1 THR 80 HG1 THR 80 -11.751 2.248 5.744 628 HG21 THR 80 3HG2 THR 80 -12.102 -1.138 6.561 629 HG22 THR 80 1HG2 THR 80 -11.850 -1.742 4.926 630 HG23 THR 80 2HG2 THR 80 -13.346 -0.902 5.333 631 H PHE 81 H PHE 81 -8.021 0.539 3.999 632 HA PHE 81 HA PHE 81 -8.157 3.476 3.885 633 HB2 PHE 81 1HB PHE 81 -5.690 3.539 4.156 634 HB3 PHE 81 2HB PHE 81 -6.523 2.913 5.573 635 HD1 PHE 81 HD2 PHE 81 -6.412 0.520 6.117 636 HD2 PHE 81 HD1 PHE 81 -4.190 2.188 2.895 637 HE1 PHE 81 HE2 PHE 81 -4.992 -1.487 6.068 638 HE2 PHE 81 HE1 PHE 81 -2.764 0.185 2.840 639 HZ PHE 81 HZ PHE 81 -3.166 -1.654 4.426 640 H ARG 82 H ARG 82 -7.269 4.471 2.081 641 HA ARG 82 HA ARG 82 -6.689 2.664 -0.173 642 HB2 ARG 82 1HB ARG 82 -7.508 4.469 -1.647 643 HB3 ARG 82 2HB ARG 82 -8.749 3.912 -0.535 644 HG2 ARG 82 1HG ARG 82 -8.288 5.859 0.908 645 HG3 ARG 82 2HG ARG 82 -7.115 6.429 -0.281 646 HD2 ARG 82 1HD ARG 82 -8.924 6.504 -1.967 647 HD3 ARG 82 2HD ARG 82 -10.074 6.031 -0.714 648 HE ARG 82 HE ARG 82 -8.649 8.312 0.139 649 HH11 ARG 82 1HH1 ARG 82 -11.124 7.359 -2.150 650 HH12 ARG 82 2HH1 ARG 82 -11.844 8.933 -2.229 651 HH21 ARG 82 1HH2 ARG 82 -9.576 10.402 0.005 652 HH22 ARG 82 2HH2 ARG 82 -10.964 10.663 -1.009 653 H LEU 83 H LEU 83 -4.815 2.907 -1.236 654 HA LEU 83 HA LEU 83 -3.030 5.085 -0.373 655 HB2 LEU 83 1HB LEU 83 -2.337 2.417 -1.609 656 HB3 LEU 83 2HB LEU 83 -1.189 3.634 -1.090 657 HG LEU 83 HG LEU 83 -3.066 2.131 0.736 658 HD11 LEU 83 1HD1 LEU 83 -1.339 0.690 -0.208 659 HD12 LEU 83 2HD1 LEU 83 -1.061 0.980 1.509 660 HD13 LEU 83 3HD1 LEU 83 -0.095 1.833 0.305 661 HD21 LEU 83 3HD2 LEU 83 -0.810 4.041 1.350 662 HD22 LEU 83 1HD2 LEU 83 -1.744 3.130 2.535 663 HD23 LEU 83 2HD2 LEU 83 -2.530 4.368 1.556 664 H TYR 84 H TYR 84 -2.166 6.439 -1.895 665 HA TYR 84 HA TYR 84 -3.181 6.065 -4.626 666 HB2 TYR 84 1HB TYR 84 -2.634 8.518 -2.996 667 HB3 TYR 84 2HB TYR 84 -2.608 8.609 -4.757 668 HD1 TYR 84 HD2 TYR 84 -4.628 8.185 -6.052 669 HD2 TYR 84 HD1 TYR 84 -4.713 8.202 -1.801 670 HE1 TYR 84 HE2 TYR 84 -7.078 8.330 -6.111 671 HE2 TYR 84 HE1 TYR 84 -7.168 8.342 -1.846 672 HH TYR 84 HH TYR 84 -8.990 7.673 -4.556 673 H TYR 85 H TYR 85 -1.697 5.029 -5.726 674 HA TYR 85 HA TYR 85 1.122 5.740 -5.395 675 HB2 TYR 85 1HB TYR 85 0.672 3.394 -5.174 676 HB3 TYR 85 2HB TYR 85 -0.257 3.373 -6.667 677 HD1 TYR 85 HD2 TYR 85 3.174 4.400 -5.570 678 HD2 TYR 85 HD1 TYR 85 0.777 2.406 -8.469 679 HE1 TYR 85 HE2 TYR 85 5.199 3.806 -6.833 680 HE2 TYR 85 HE1 TYR 85 2.795 1.815 -9.734 681 HH TYR 85 HH TYR 85 4.986 2.233 -9.977 682 H THR 86 H THR 86 1.692 7.383 -6.676 683 HA THR 86 HA THR 86 0.635 7.616 -9.379 684 HB THR 86 HB THR 86 2.765 9.307 -8.060 685 HG1 THR 86 HG1 THR 86 -0.056 9.777 -8.149 686 HG21 THR 86 3HG2 THR 86 2.090 10.993 -9.681 687 HG22 THR 86 1HG2 THR 86 0.873 9.899 -10.335 688 HG23 THR 86 2HG2 THR 86 2.586 9.512 -10.502 689 H SER 87 H SER 87 1.536 6.256 -10.856 690 HA SER 87 HA SER 87 4.306 5.424 -10.472 691 HB2 SER 87 1HB SER 87 2.553 3.710 -10.928 692 HB3 SER 87 2HB SER 87 2.316 4.430 -12.522 693 HG SER 87 HG SER 87 3.774 2.670 -12.615 694 H ALA 88 H ALA 88 5.939 5.852 -11.838 695 HA ALA 88 HA ALA 88 5.370 7.561 -14.166 696 HB1 ALA 88 3HB ALA 88 7.744 7.751 -12.308 697 HB2 ALA 88 1HB ALA 88 6.380 8.869 -12.357 698 HB3 ALA 88 2HB ALA 88 7.468 8.742 -13.741 699 H SER 89 H SER 89 5.822 4.591 -13.740 700 HA SER 89 HA SER 89 7.986 4.301 -15.705 701 HB2 SER 89 1HB SER 89 8.691 3.616 -13.339 702 HB3 SER 89 2HB SER 89 7.498 2.330 -13.470 703 HG SER 89 HG SER 89 9.930 2.646 -14.828 704 H THR 90 H THR 90 7.723 2.561 -17.163 705 HA THR 90 HA THR 90 5.030 1.389 -17.230 706 HB THR 90 HB THR 90 6.908 1.443 -19.576 707 HG1 THR 90 HG1 THR 90 5.211 3.549 -18.669 708 HG21 THR 90 3HG2 THR 90 4.818 1.465 -20.844 709 HG22 THR 90 1HG2 THR 90 3.901 1.529 -19.338 710 HG23 THR 90 2HG2 THR 90 4.864 0.103 -19.724 711 H ASP 91 H ASP 91 7.975 0.679 -16.173 712 HA ASP 91 HA ASP 91 8.375 -1.900 -17.451 713 HB2 ASP 91 1HB ASP 91 10.242 -0.279 -16.796 714 HB3 ASP 91 2HB ASP 91 9.918 -0.737 -15.126 715 H GLN 92 H GLN 92 8.948 -3.753 -15.776 716 HA GLN 92 HA GLN 92 6.604 -4.133 -14.165 717 HB2 GLN 92 1HB GLN 92 7.597 -6.026 -15.370 718 HB3 GLN 92 2HB GLN 92 9.078 -5.852 -14.436 719 HG2 GLN 92 1HG GLN 92 7.980 -6.498 -12.428 720 HG3 GLN 92 2HG GLN 92 6.399 -6.424 -13.203 721 HE21 GLN 92 2HE2 GLN 92 7.794 -8.609 -11.812 722 HE22 GLN 92 1HE2 GLN 92 7.790 -9.933 -12.930 723 H GLN 93 H GLN 93 6.434 -3.023 -12.392 724 HA GLN 93 HA GLN 93 8.809 -2.264 -10.868 725 HB2 GLN 93 1HB GLN 93 5.983 -1.378 -10.318 726 HB3 GLN 93 2HB GLN 93 7.484 -0.539 -9.950 727 HG2 GLN 93 1HG GLN 93 7.843 -0.042 -12.268 728 HG3 GLN 93 2HG GLN 93 6.458 -1.025 -12.737 729 HE21 GLN 93 2HE2 GLN 93 7.517 1.992 -11.433 730 HE22 GLN 93 1HE2 GLN 93 5.984 2.790 -11.500 731 H THR 94 H THR 94 9.378 -3.458 -9.147 732 HA THR 94 HA THR 94 7.437 -5.258 -7.948 733 HB THR 94 HB THR 94 10.316 -4.863 -7.120 734 HG1 THR 94 HG1 THR 94 10.573 -5.499 -9.172 735 HG21 THR 94 3HG2 THR 94 10.114 -7.149 -6.280 736 HG22 THR 94 1HG2 THR 94 8.443 -7.220 -6.841 737 HG23 THR 94 2HG2 THR 94 8.894 -6.110 -5.547 738 H VAL 95 H VAL 95 6.061 -4.247 -6.592 739 HA VAL 95 HA VAL 95 7.217 -2.453 -4.564 740 HB VAL 95 HB VAL 95 4.296 -2.766 -5.281 741 HG11 VAL 95 1HG1 VAL 95 4.030 -0.656 -4.045 742 HG12 VAL 95 2HG1 VAL 95 5.739 -0.712 -3.613 743 HG13 VAL 95 3HG1 VAL 95 4.639 -1.961 -3.028 744 HG21 VAL 95 3HG2 VAL 95 4.502 -0.603 -6.426 745 HG22 VAL 95 1HG2 VAL 95 5.480 -1.857 -7.187 746 HG23 VAL 95 2HG2 VAL 95 6.246 -0.643 -6.162 747 H ASP 96 H ASP 96 7.844 -3.756 -2.927 748 HA ASP 96 HA ASP 96 6.041 -5.898 -2.060 749 HB2 ASP 96 1HB ASP 96 8.509 -6.324 -2.428 750 HB3 ASP 96 2HB ASP 96 8.823 -5.281 -1.044 751 H VAL 97 H VAL 97 4.568 -5.347 -0.595 752 HA VAL 97 HA VAL 97 5.163 -3.049 1.146 753 HB VAL 97 HB VAL 97 2.418 -4.155 0.551 754 HG11 VAL 97 1HG1 VAL 97 1.680 -1.935 1.298 755 HG12 VAL 97 2HG1 VAL 97 3.356 -1.496 1.630 756 HG13 VAL 97 3HG1 VAL 97 2.583 -2.784 2.553 757 HG21 VAL 97 3HG2 VAL 97 2.162 -2.356 -1.087 758 HG22 VAL 97 1HG2 VAL 97 3.445 -3.474 -1.553 759 HG23 VAL 97 2HG2 VAL 97 3.852 -1.905 -0.860 760 H TYR 98 H TYR 98 5.096 -3.221 3.292 761 HA TYR 98 HA TYR 98 4.490 -5.868 4.419 762 HB2 TYR 98 1HB TYR 98 6.315 -3.739 5.559 763 HB3 TYR 98 2HB TYR 98 6.111 -5.383 6.155 764 HD1 TYR 98 HD2 TYR 98 6.842 -7.292 4.672 765 HD2 TYR 98 HD1 TYR 98 7.892 -3.249 3.884 766 HE1 TYR 98 HE2 TYR 98 8.654 -8.057 3.207 767 HE2 TYR 98 HE1 TYR 98 9.710 -4.002 2.407 768 HH TYR 98 HH TYR 98 9.911 -7.073 1.192 769 H PHE 99 H PHE 99 2.629 -5.906 5.478 770 HA PHE 99 HA PHE 99 1.801 -3.501 6.952 771 HB2 PHE 99 1HB PHE 99 0.162 -5.825 5.924 772 HB3 PHE 99 2HB PHE 99 -0.478 -4.534 6.933 773 HD1 PHE 99 HD1 PHE 99 -0.172 -2.126 6.015 774 HD2 PHE 99 HD2 PHE 99 0.054 -5.641 3.632 775 HE1 PHE 99 HE1 PHE 99 -0.683 -0.794 4.013 776 HE2 PHE 99 HE2 PHE 99 -0.454 -4.316 1.621 777 HZ PHE 99 HZ PHE 99 -0.824 -1.889 1.812 778 H GLN 100 H GLN 100 2.278 -3.607 9.032 779 HA GLN 100 HA GLN 100 2.055 -6.218 10.374 780 HB2 GLN 100 1HB GLN 100 3.944 -5.565 11.816 781 HB3 GLN 100 2HB GLN 100 4.404 -5.694 10.128 782 HG2 GLN 100 1HG GLN 100 4.228 -3.235 9.937 783 HG3 GLN 100 2HG GLN 100 3.903 -3.164 11.670 784 HE21 GLN 100 2HE2 GLN 100 5.748 -5.405 12.199 785 HE22 GLN 100 1HE2 GLN 100 7.335 -4.731 12.073 786 H ASP 101 H ASP 101 1.798 -5.999 12.768 787 HA ASP 101 HA ASP 101 0.285 -3.573 13.459 788 HB2 ASP 101 1HB ASP 101 -1.586 -4.736 14.143 789 HB3 ASP 101 2HB ASP 101 -1.066 -5.751 12.800 790 H SER 102 H SER 102 -0.309 -3.790 15.950 791 HA SER 102 HA SER 102 2.242 -3.594 17.216 792 HB2 SER 102 1HB SER 102 -0.528 -3.349 18.402 793 HB3 SER 102 2HB SER 102 0.976 -2.856 19.181 794 HG SER 102 HG SER 102 0.188 -1.848 16.654 795 H PHE 103 H PHE 103 -0.121 -6.121 16.983 796 HA PHE 103 HA PHE 103 0.748 -7.446 19.392 797 HB2 PHE 103 1HB PHE 103 -1.013 -8.374 17.122 798 HB3 PHE 103 2HB PHE 103 -0.655 -9.346 18.546 799 HD1 PHE 103 HD1 PHE 103 -1.040 -7.969 20.833 800 HD2 PHE 103 HD2 PHE 103 -3.019 -7.266 17.131 801 HE1 PHE 103 HE1 PHE 103 -2.904 -6.910 22.036 802 HE2 PHE 103 HE2 PHE 103 -4.888 -6.203 18.327 803 HZ PHE 103 HZ PHE 103 -4.829 -6.025 20.784 804 H GLY 104 H GLY 104 1.868 -7.259 16.162 805 HA2 GLY 104 1HA GLY 104 4.218 -7.876 15.979 806 HA3 GLY 104 2HA GLY 104 3.851 -9.314 16.913 807 H GLN 105 H GLN 105 1.413 -8.712 14.629 808 HA GLN 105 HA GLN 105 2.401 -10.909 13.009 809 HB2 GLN 105 1HB GLN 105 -0.155 -9.318 12.985 810 HB3 GLN 105 2HB GLN 105 0.239 -10.457 11.706 811 HG2 GLN 105 1HG GLN 105 -0.095 -11.087 14.628 812 HG3 GLN 105 2HG GLN 105 -1.215 -11.490 13.326 813 HE21 GLN 105 2HE2 GLN 105 -0.622 -13.099 11.825 814 HE22 GLN 105 1HE2 GLN 105 0.593 -14.276 12.192 815 H LEU 106 H LEU 106 2.667 -10.781 10.716 816 HA LEU 106 HA LEU 106 2.865 -8.126 9.535 817 HB2 LEU 106 1HB LEU 106 5.079 -8.408 10.403 818 HB3 LEU 106 2HB LEU 106 5.184 -10.038 9.774 819 HG LEU 106 HG LEU 106 5.280 -9.193 7.494 820 HD11 LEU 106 1HD1 LEU 106 3.861 -7.199 7.833 821 HD12 LEU 106 2HD1 LEU 106 5.367 -6.838 6.989 822 HD13 LEU 106 3HD1 LEU 106 5.194 -6.429 8.695 823 HD21 LEU 106 3HD2 LEU 106 7.359 -9.431 8.742 824 HD22 LEU 106 1HD2 LEU 106 7.203 -7.775 9.330 825 HD23 LEU 106 2HD2 LEU 106 7.448 -8.082 7.610 826 H GLN 107 H GLN 107 1.740 -8.249 7.743 827 HA GLN 107 HA GLN 107 1.800 -10.754 6.194 828 HB2 GLN 107 1HB GLN 107 -0.426 -10.111 7.076 829 HB3 GLN 107 2HB GLN 107 -0.310 -8.582 6.218 830 HG2 GLN 107 1HG GLN 107 -0.421 -9.657 4.107 831 HG3 GLN 107 2HG GLN 107 -0.229 -11.249 4.839 832 HE21 GLN 107 2HE2 GLN 107 -1.967 -12.209 5.877 833 HE22 GLN 107 1HE2 GLN 107 -3.584 -11.630 5.689 834 H GLN 108 H GLN 108 3.074 -10.626 4.488 835 HA GLN 108 HA GLN 108 3.747 -8.022 3.376 836 HB2 GLN 108 1HB GLN 108 4.871 -10.759 2.779 837 HB3 GLN 108 2HB GLN 108 5.471 -9.245 2.116 838 HG2 GLN 108 1HG GLN 108 6.916 -9.359 3.810 839 HG3 GLN 108 2HG GLN 108 5.574 -8.698 4.741 840 HE21 GLN 108 2HE2 GLN 108 7.829 -10.409 5.520 841 HE22 GLN 108 1HE2 GLN 108 7.121 -11.798 6.265 842 H LEU 109 H LEU 109 2.957 -7.267 1.555 843 HA LEU 109 HA LEU 109 1.694 -9.168 -0.308 844 HB2 LEU 109 1HB LEU 109 0.908 -6.278 0.066 845 HB3 LEU 109 2HB LEU 109 0.100 -7.472 -0.929 846 HG LEU 109 HG LEU 109 0.185 -7.380 2.087 847 HD11 LEU 109 1HD1 LEU 109 -2.221 -7.090 1.904 848 HD12 LEU 109 2HD1 LEU 109 -2.105 -7.123 0.146 849 HD13 LEU 109 3HD1 LEU 109 -1.364 -5.805 1.055 850 HD21 LEU 109 3HD2 LEU 109 -1.287 -9.348 2.013 851 HD22 LEU 109 1HD2 LEU 109 0.332 -9.685 1.394 852 HD23 LEU 109 2HD2 LEU 109 -1.017 -9.464 0.273 853 H THR 110 H THR 110 3.047 -9.401 -1.956 854 HA THR 110 HA THR 110 4.698 -7.129 -2.793 855 HB THR 110 HB THR 110 4.918 -10.007 -3.714 856 HG1 THR 110 HG1 THR 110 6.017 -8.679 -1.446 857 HG21 THR 110 3HG2 THR 110 6.031 -8.371 -5.148 858 HG22 THR 110 1HG2 THR 110 7.214 -9.361 -4.294 859 HG23 THR 110 2HG2 THR 110 6.885 -7.715 -3.753 860 H PHE 111 H PHE 111 3.874 -5.927 -4.380 861 HA PHE 111 HA PHE 111 2.147 -7.230 -6.385 862 HB2 PHE 111 1HB PHE 111 2.294 -4.310 -5.594 863 HB3 PHE 111 2HB PHE 111 1.233 -4.979 -6.828 864 HD1 PHE 111 HD1 PHE 111 -0.563 -6.602 -6.133 865 HD2 PHE 111 HD2 PHE 111 1.681 -4.302 -3.332 866 HE1 PHE 111 HE1 PHE 111 -2.296 -6.989 -4.427 867 HE2 PHE 111 HE2 PHE 111 -0.051 -4.686 -1.627 868 HZ PHE 111 HZ PHE 111 -2.041 -6.026 -2.173 869 H SER 112 H SER 112 3.057 -7.512 -8.327 870 HA SER 112 HA SER 112 5.249 -5.761 -9.118 871 HB2 SER 112 1HB SER 112 5.157 -7.427 -11.170 872 HB3 SER 112 2HB SER 112 5.898 -7.917 -9.647 873 HG SER 112 HG SER 112 4.540 -9.525 -9.813 874 H PHE 113 H PHE 113 4.624 -3.918 -9.968 875 HA PHE 113 HA PHE 113 2.083 -3.741 -11.374 876 HB2 PHE 113 1HB PHE 113 3.981 -1.734 -10.213 877 HB3 PHE 113 2HB PHE 113 2.806 -1.229 -11.423 878 HD1 PHE 113 HD2 PHE 113 0.623 -3.192 -10.497 879 HD2 PHE 113 HD1 PHE 113 3.105 -0.430 -8.429 880 HE1 PHE 113 HE2 PHE 113 -1.104 -2.951 -8.767 881 HE2 PHE 113 HE1 PHE 113 1.381 -0.181 -6.690 882 HZ PHE 113 HZ PHE 113 -0.734 -1.433 -6.868 883 H ASN 114 H ASN 114 2.003 -2.357 -13.336 884 HA ASN 114 HA ASN 114 4.312 -2.111 -14.990 885 HB2 ASN 114 1HB ASN 114 3.714 -3.750 -16.729 886 HB3 ASN 114 2HB ASN 114 4.072 -4.542 -15.204 887 HD21 ASN 114 2HD2 ASN 114 1.529 -4.035 -13.951 888 HD22 ASN 114 1HD2 ASN 114 0.351 -5.007 -14.764 889 H ASN 115 H ASN 115 0.817 -2.589 -15.026 890 HA ASN 115 HA ASN 115 0.423 -0.002 -16.269 891 HB2 ASN 115 1HB ASN 115 -0.542 -2.579 -17.553 892 HB3 ASN 115 2HB ASN 115 -1.189 -0.993 -17.952 893 HD21 ASN 115 2HD2 ASN 115 1.521 -3.141 -18.241 894 HD22 ASN 115 1HD2 ASN 115 2.385 -2.230 -19.434 895 H ASP 116 H ASP 116 -0.283 0.204 -14.028 896 HA ASP 116 HA ASP 116 -2.939 -0.950 -13.568 897 HB2 ASP 116 1HB ASP 116 -0.812 -0.657 -11.442 898 HB3 ASP 116 2HB ASP 116 -2.376 -1.445 -11.285 899 H SER 117 H SER 117 -3.692 1.188 -14.292 900 HA SER 117 HA SER 117 -3.486 3.222 -12.157 901 HB2 SER 117 1HB SER 117 -2.721 4.057 -14.333 902 HB3 SER 117 2HB SER 117 -4.239 3.560 -15.074 903 HG SER 117 HG SER 117 -4.019 5.460 -12.972 904 H SER 118 H SER 118 -5.247 3.515 -10.956 905 HA SER 118 HA SER 118 -7.564 1.929 -11.381 906 HB2 SER 118 1HB SER 118 -8.416 3.195 -9.372 907 HB3 SER 118 2HB SER 118 -6.870 2.377 -9.134 908 HG SER 118 HG SER 118 -6.956 5.058 -10.007 909 H LYS 119 H LYS 119 -8.746 2.417 -13.118 910 HA LYS 119 HA LYS 119 -10.146 3.462 -14.537 911 HB2 LYS 119 1HB LYS 119 -11.979 4.593 -13.564 912 HB3 LYS 119 2HB LYS 119 -11.445 3.422 -12.371 913 HG2 LYS 119 1HG LYS 119 -10.187 5.302 -11.258 914 HG3 LYS 119 2HG LYS 119 -11.030 6.399 -12.354 915 HD2 LYS 119 1HD LYS 119 -13.187 5.519 -11.491 916 HD3 LYS 119 2HD LYS 119 -12.288 4.542 -10.329 917 HE2 LYS 119 1HE LYS 119 -12.297 7.552 -10.520 918 HE3 LYS 119 2HE LYS 119 -13.094 6.580 -9.286 919 HZ1 LYS 119 3HZ LYS 119 -10.984 5.857 -8.462 920 HZ2 LYS 119 1HZ LYS 119 -10.949 7.551 -8.578 921 HZ3 LYS 119 2HZ LYS 119 -10.164 6.604 -9.742 922 H GLU 120 H GLU 120 -11.145 5.863 -14.991 923 HA GLU 120 HA GLU 120 -9.192 7.957 -14.608 924 HB2 GLU 120 1HB GLU 120 -8.934 8.514 -16.940 925 HB3 GLU 120 2HB GLU 120 -8.457 6.840 -16.712 926 HG2 GLU 120 1HG GLU 120 -11.197 7.599 -17.662 927 HG3 GLU 120 2HG GLU 120 -9.838 7.417 -18.765 928 H GLU 121 H GLU 121 -10.118 10.030 -15.752 929 HA GLU 121 HA GLU 121 -13.048 10.017 -15.584 930 HB2 GLU 121 1HB GLU 121 -11.924 10.766 -13.422 931 HB3 GLU 121 2HB GLU 121 -11.336 12.158 -14.318 932 HG2 GLU 121 1HG GLU 121 -13.516 12.989 -14.651 933 HG3 GLU 121 2HG GLU 121 -14.250 11.474 -14.123 934 H GLU 122 H GLU 122 -13.960 11.059 -17.262 935 HA GLU 122 HA GLU 122 -12.370 11.870 -19.427 936 HB2 GLU 122 1HB GLU 122 -14.453 12.582 -20.495 937 HB3 GLU 122 2HB GLU 122 -14.633 11.010 -19.731 938 HG2 GLU 122 1HG GLU 122 -15.928 11.891 -17.978 939 HG3 GLU 122 2HG GLU 122 -15.477 13.548 -18.373 940 H LEU 123 H LEU 123 -13.864 13.702 -16.851 941 HA LEU 123 HA LEU 123 -12.975 16.199 -18.090 942 HB2 LEU 123 1HB LEU 123 -15.337 15.842 -17.117 943 HB3 LEU 123 2HB LEU 123 -14.568 15.941 -15.547 944 HG LEU 123 HG LEU 123 -15.650 18.061 -16.347 945 HD11 LEU 123 1HD1 LEU 123 -12.687 18.195 -15.817 946 HD12 LEU 123 2HD1 LEU 123 -13.965 18.139 -14.603 947 HD13 LEU 123 3HD1 LEU 123 -13.822 19.538 -15.667 948 HD21 LEU 123 3HD2 LEU 123 -14.478 19.398 -18.013 949 HD22 LEU 123 1HD2 LEU 123 -15.062 17.881 -18.701 950 HD23 LEU 123 2HD2 LEU 123 -13.354 18.069 -18.295 951 H GLU 124 H GLU 124 -10.756 15.969 -17.724 952 HA GLU 124 HA GLU 124 -9.839 15.745 -14.982 953 HB2 GLU 124 1HB GLU 124 -8.305 16.228 -17.545 954 HB3 GLU 124 2HB GLU 124 -7.574 15.990 -15.963 955 HG2 GLU 124 1HG GLU 124 -8.619 13.745 -15.873 956 HG3 GLU 124 2HG GLU 124 -9.200 13.995 -17.519 957 H HIS 125 H HIS 125 -9.059 18.052 -17.552 958 HA HIS 125 HA HIS 125 -8.581 20.271 -17.529 959 HB2 HIS 125 1HB HIS 125 -11.089 20.218 -17.299 960 HB3 HIS 125 2HB HIS 125 -10.876 20.437 -15.568 961 HD1 HIS 125 HD1 HIS 125 -11.278 22.772 -14.921 962 HD2 HIS 125 HD2 HIS 125 -9.568 22.500 -18.703 963 HE1 HIS 125 HE1 HIS 125 -11.038 25.141 -15.728 964 HE2 HIS 125 HE2 HIS 125 -10.278 24.920 -18.118 965 H HIS 126 H HIS 126 -9.803 20.567 -14.276 966 HA HIS 126 HA HIS 126 -7.309 20.195 -12.974 967 HB2 HIS 126 1HB HIS 126 -6.948 22.433 -14.050 968 HB3 HIS 126 2HB HIS 126 -8.306 23.050 -13.111 969 HD1 HIS 126 HD1 HIS 126 -4.880 21.505 -12.584 970 HD2 HIS 126 HD2 HIS 126 -7.632 23.917 -10.600 971 HE1 HIS 126 HE1 HIS 126 -3.726 22.269 -10.482 972 HE2 HIS 126 HE2 HIS 126 -5.402 23.730 -9.292 973 H HIS 127 H HIS 127 -8.263 18.997 -11.429 974 HA HIS 127 HA HIS 127 -9.972 20.459 -9.577 975 HB2 HIS 127 1HB HIS 127 -11.616 18.703 -9.367 976 HB3 HIS 127 2HB HIS 127 -11.524 19.194 -11.051 977 HD1 HIS 127 HD1 HIS 127 -11.546 16.274 -8.948 978 HD2 HIS 127 HD2 HIS 127 -9.952 17.253 -12.658 979 HE1 HIS 127 HE1 HIS 127 -11.043 14.080 -10.066 980 HE2 HIS 127 HE2 HIS 127 -10.338 14.712 -12.396 981 H HIS 128 H HIS 128 -9.421 20.145 -7.541 982 HA HIS 128 HA HIS 128 -7.060 18.550 -7.088 983 HB2 HIS 128 1HB HIS 128 -6.940 19.637 -4.914 984 HB3 HIS 128 2HB HIS 128 -7.209 20.831 -6.174 985 HD1 HIS 128 HD1 HIS 128 -9.823 21.671 -6.356 986 HD2 HIS 128 HD2 HIS 128 -8.669 19.794 -2.823 987 HE1 HIS 128 HE1 HIS 128 -11.540 22.322 -4.648 988 HE2 HIS 128 HE2 HIS 128 -10.688 21.381 -2.473 989 H HIS 129 H HIS 129 -7.004 16.578 -6.318 990 HA HIS 129 HA HIS 129 -9.253 15.634 -4.659 991 HB2 HIS 129 1HB HIS 129 -9.241 14.474 -6.828 992 HB3 HIS 129 2HB HIS 129 -7.559 14.014 -6.584 993 HD1 HIS 129 HD1 HIS 129 -11.036 13.251 -5.392 994 HD2 HIS 129 HD2 HIS 129 -7.165 11.794 -4.936 995 HE1 HIS 129 HE1 HIS 129 -11.272 11.040 -4.211 996 HE2 HIS 129 HE2 HIS 129 -8.934 10.111 -4.070 997 H HIS 130 H HIS 130 -8.723 14.955 -2.688 998 HA HIS 130 HA HIS 130 -5.883 14.821 -2.007 999 HB2 HIS 130 1HB HIS 130 -7.413 16.361 -0.727 1000 HB3 HIS 130 2HB HIS 130 -8.252 14.936 -0.125 1001 HD1 HIS 130 HD1 HIS 130 -5.036 16.825 0.169 1002 HD2 HIS 130 HD2 HIS 130 -6.908 13.534 1.899 1003 HE1 HIS 130 HE1 HIS 130 -3.700 16.291 2.232 1004 HE2 HIS 130 HE2 HIS 130 -4.755 14.206 3.176 Start of MODEL 18 1 H1 MET 1 1H MET 1 -3.454 -13.471 37.363 2 H2 MET 1 2H MET 1 -4.991 -14.139 37.642 3 H3 MET 1 3H MET 1 -4.832 -12.479 37.341 4 HA MET 1 HA MET 1 -4.120 -12.872 35.113 5 HB2 MET 1 1HB MET 1 -4.356 -15.772 35.916 6 HB3 MET 1 2HB MET 1 -4.333 -15.253 34.237 7 HG2 MET 1 1HG MET 1 -2.126 -14.225 34.621 8 HG3 MET 1 2HG MET 1 -2.155 -14.847 36.270 9 HE1 MET 1 3HE MET 1 0.517 -17.103 34.491 10 HE2 MET 1 1HE MET 1 0.211 -15.955 35.793 11 HE3 MET 1 2HE MET 1 0.198 -15.409 34.115 12 H ASN 2 H ASN 2 -5.838 -11.913 34.296 13 HA ASN 2 HA ASN 2 -8.007 -13.522 33.418 14 HB2 ASN 2 1HB ASN 2 -8.821 -13.053 35.725 15 HB3 ASN 2 2HB ASN 2 -8.743 -11.327 35.371 16 HD21 ASN 2 2HD2 ASN 2 -10.947 -11.033 35.642 17 HD22 ASN 2 1HD2 ASN 2 -12.110 -11.613 34.492 18 H ASP 3 H ASP 3 -7.766 -12.862 31.407 19 HA ASP 3 HA ASP 3 -8.370 -10.098 30.764 20 HB2 ASP 3 1HB ASP 3 -5.931 -10.070 30.988 21 HB3 ASP 3 2HB ASP 3 -5.798 -11.426 29.873 22 H ASP 4 H ASP 4 -10.094 -10.472 29.534 23 HA ASP 4 HA ASP 4 -10.201 -12.843 27.878 24 HB2 ASP 4 1HB ASP 4 -12.541 -12.221 27.459 25 HB3 ASP 4 2HB ASP 4 -12.183 -12.274 29.179 26 H VAL 5 H VAL 5 -9.753 -12.931 25.834 27 HA VAL 5 HA VAL 5 -9.635 -10.427 24.280 28 HB VAL 5 HB VAL 5 -8.243 -13.047 23.673 29 HG11 VAL 5 1HG1 VAL 5 -8.706 -11.709 21.690 30 HG12 VAL 5 2HG1 VAL 5 -6.975 -11.741 22.036 31 HG13 VAL 5 3HG1 VAL 5 -7.931 -10.314 22.439 32 HG21 VAL 5 3HG2 VAL 5 -7.134 -10.518 24.892 33 HG22 VAL 5 1HG2 VAL 5 -6.171 -11.893 24.349 34 HG23 VAL 5 2HG2 VAL 5 -7.305 -12.084 25.685 35 H ASP 6 H ASP 6 -10.981 -13.560 24.617 36 HA ASP 6 HA ASP 6 -12.710 -14.638 23.669 37 HB2 ASP 6 1HB ASP 6 -13.119 -11.948 22.430 38 HB3 ASP 6 2HB ASP 6 -14.038 -13.326 21.831 39 H ILE 7 H ILE 7 -12.175 -16.303 22.535 40 HA ILE 7 HA ILE 7 -10.437 -16.019 20.240 41 HB ILE 7 HB ILE 7 -10.543 -18.560 20.221 42 HG12 ILE 7 1HG1 ILE 7 -11.860 -18.088 22.909 43 HG13 ILE 7 2HG1 ILE 7 -12.651 -18.779 21.496 44 HG21 ILE 7 1HG2 ILE 7 -9.023 -18.743 22.165 45 HG22 ILE 7 2HG2 ILE 7 -9.484 -17.107 22.640 46 HG23 ILE 7 3HG2 ILE 7 -8.647 -17.380 21.111 47 HD11 ILE 7 3HD1 ILE 7 -12.024 -20.503 23.080 48 HD12 ILE 7 1HD1 ILE 7 -10.338 -19.989 22.994 49 HD13 ILE 7 2HD1 ILE 7 -11.123 -20.681 21.576 50 H GLN 8 H GLN 8 -12.284 -14.811 19.192 51 HA GLN 8 HA GLN 8 -14.516 -16.162 18.143 52 HB2 GLN 8 1HB GLN 8 -12.974 -13.833 16.970 53 HB3 GLN 8 2HB GLN 8 -14.572 -14.351 16.454 54 HG2 GLN 8 1HG GLN 8 -15.457 -13.822 18.668 55 HG3 GLN 8 2HG GLN 8 -13.852 -13.303 19.184 56 HE21 GLN 8 2HE2 GLN 8 -16.612 -12.549 17.195 57 HE22 GLN 8 1HE2 GLN 8 -16.194 -10.893 16.907 58 H GLN 9 H GLN 9 -11.680 -15.124 16.302 59 HA GLN 9 HA GLN 9 -10.781 -17.537 15.337 60 HB2 GLN 9 1HB GLN 9 -13.056 -17.715 14.296 61 HB3 GLN 9 2HB GLN 9 -12.697 -16.267 13.366 62 HG2 GLN 9 1HG GLN 9 -10.806 -17.428 12.314 63 HG3 GLN 9 2HG GLN 9 -11.212 -18.883 13.219 64 HE21 GLN 9 2HE2 GLN 9 -13.037 -20.068 12.647 65 HE22 GLN 9 1HE2 GLN 9 -13.848 -19.829 11.133 66 H SER 10 H SER 10 -11.513 -14.195 14.670 67 HA SER 10 HA SER 10 -9.431 -13.768 12.766 68 HB2 SER 10 1HB SER 10 -10.909 -11.676 14.370 69 HB3 SER 10 2HB SER 10 -10.135 -11.480 12.798 70 HG SER 10 HG SER 10 -12.489 -11.747 12.799 71 H TYR 11 H TYR 11 -8.077 -14.923 14.768 72 HA TYR 11 HA TYR 11 -6.861 -12.917 16.446 73 HB2 TYR 11 1HB TYR 11 -7.155 -15.415 17.030 74 HB3 TYR 11 2HB TYR 11 -5.749 -15.677 16.008 75 HD1 TYR 11 HD1 TYR 11 -6.821 -13.495 18.846 76 HD2 TYR 11 HD2 TYR 11 -3.676 -15.704 17.022 77 HE1 TYR 11 HE1 TYR 11 -5.361 -12.977 20.757 78 HE2 TYR 11 HE2 TYR 11 -2.205 -15.191 18.924 79 HH TYR 11 HH TYR 11 -2.000 -13.519 20.717 80 HA PRO 12 HA PRO 12 -3.643 -12.904 13.052 81 HB2 PRO 12 1HB PRO 12 -3.931 -14.743 10.983 82 HB3 PRO 12 2HB PRO 12 -2.840 -14.904 12.356 83 HG2 PRO 12 1HG PRO 12 -5.096 -16.514 11.766 84 HG3 PRO 12 2HG PRO 12 -4.090 -16.567 13.221 85 HD2 PRO 12 1HD PRO 12 -6.712 -15.255 12.778 86 HD3 PRO 12 2HD PRO 12 -6.017 -15.920 14.268 87 H PHE 13 H PHE 13 -4.283 -11.055 12.105 88 HA PHE 13 HA PHE 13 -6.884 -10.725 11.039 89 HB2 PHE 13 1HB PHE 13 -4.509 -8.866 10.855 90 HB3 PHE 13 2HB PHE 13 -6.197 -8.428 10.595 91 HD1 PHE 13 HD1 PHE 13 -7.800 -8.615 12.522 92 HD2 PHE 13 HD2 PHE 13 -3.581 -8.897 13.002 93 HE1 PHE 13 HE1 PHE 13 -8.046 -8.146 14.924 94 HE2 PHE 13 HE2 PHE 13 -3.815 -8.428 15.404 95 HZ PHE 13 HZ PHE 13 -6.051 -8.053 16.367 96 H SER 14 H SER 14 -7.629 -10.575 9.007 97 HA SER 14 HA SER 14 -5.779 -11.287 6.847 98 HB2 SER 14 1HB SER 14 -8.800 -11.499 6.956 99 HB3 SER 14 2HB SER 14 -7.779 -12.025 5.617 100 HG SER 14 HG SER 14 -8.278 -13.781 6.953 101 H ILE 15 H ILE 15 -5.187 -9.735 5.517 102 HA ILE 15 HA ILE 15 -6.853 -7.326 5.320 103 HB ILE 15 HB ILE 15 -3.913 -7.649 4.674 104 HG12 ILE 15 1HG1 ILE 15 -5.288 -6.317 7.027 105 HG13 ILE 15 2HG1 ILE 15 -4.391 -7.831 7.089 106 HG21 ILE 15 1HG2 ILE 15 -5.647 -5.180 4.785 107 HG22 ILE 15 2HG2 ILE 15 -4.995 -5.926 3.325 108 HG23 ILE 15 3HG2 ILE 15 -3.905 -5.205 4.509 109 HD11 ILE 15 3HD1 ILE 15 -3.268 -5.114 6.456 110 HD12 ILE 15 1HD1 ILE 15 -2.352 -6.623 6.461 111 HD13 ILE 15 2HD1 ILE 15 -3.063 -6.018 7.958 112 H GLU 16 H GLU 16 -7.897 -6.972 3.475 113 HA GLU 16 HA GLU 16 -7.088 -8.540 1.121 114 HB2 GLU 16 1HB GLU 16 -9.382 -8.960 2.052 115 HB3 GLU 16 2HB GLU 16 -9.790 -7.295 1.662 116 HG2 GLU 16 1HG GLU 16 -10.629 -8.754 -0.049 117 HG3 GLU 16 2HG GLU 16 -9.325 -7.768 -0.711 118 H THR 17 H THR 17 -6.805 -7.551 -0.817 119 HA THR 17 HA THR 17 -6.962 -4.613 -0.853 120 HB THR 17 HB THR 17 -5.030 -4.775 -2.519 121 HG1 THR 17 HG1 THR 17 -3.929 -6.973 -1.499 122 HG21 THR 17 3HG2 THR 17 -3.330 -4.886 -0.748 123 HG22 THR 17 1HG2 THR 17 -4.526 -5.571 0.352 124 HG23 THR 17 2HG2 THR 17 -4.724 -3.925 -0.250 125 H MET 18 H MET 18 -8.116 -3.763 -2.484 126 HA MET 18 HA MET 18 -9.514 -5.463 -4.287 127 HB2 MET 18 1HB MET 18 -9.201 -2.456 -4.263 128 HB3 MET 18 2HB MET 18 -10.267 -3.330 -5.352 129 HG2 MET 18 1HG MET 18 -11.425 -4.250 -3.338 130 HG3 MET 18 2HG MET 18 -10.451 -3.153 -2.361 131 HE1 MET 18 3HE MET 18 -12.005 -2.543 -5.940 132 HE2 MET 18 1HE MET 18 -13.538 -1.781 -5.512 133 HE3 MET 18 2HE MET 18 -13.246 -3.469 -5.094 134 HA PRO 19 HA PRO 19 -6.583 -6.316 -7.452 135 HB2 PRO 19 1HB PRO 19 -8.951 -5.695 -9.175 136 HB3 PRO 19 2HB PRO 19 -7.825 -7.056 -9.262 137 HG2 PRO 19 1HG PRO 19 -10.234 -7.358 -8.171 138 HG3 PRO 19 2HG PRO 19 -8.812 -8.156 -7.476 139 HD2 PRO 19 1HD PRO 19 -10.345 -5.820 -6.479 140 HD3 PRO 19 2HD PRO 19 -9.422 -7.037 -5.576 141 H VAL 20 H VAL 20 -5.091 -5.031 -8.229 142 HA VAL 20 HA VAL 20 -5.641 -2.222 -8.654 143 HB VAL 20 HB VAL 20 -3.174 -2.046 -8.977 144 HG11 VAL 20 1HG1 VAL 20 -2.586 -2.513 -6.643 145 HG12 VAL 20 2HG1 VAL 20 -4.059 -3.468 -6.467 146 HG13 VAL 20 3HG1 VAL 20 -4.163 -1.734 -6.773 147 HG21 VAL 20 3HG2 VAL 20 -1.761 -3.974 -8.476 148 HG22 VAL 20 1HG2 VAL 20 -2.783 -4.293 -9.879 149 HG23 VAL 20 2HG2 VAL 20 -3.193 -4.993 -8.312 150 HA PRO 21 HA PRO 21 -5.645 -2.098 -13.107 151 HB2 PRO 21 1HB PRO 21 -3.339 -0.225 -12.980 152 HB3 PRO 21 2HB PRO 21 -4.917 -0.019 -13.750 153 HG2 PRO 21 1HG PRO 21 -4.342 1.249 -11.485 154 HG3 PRO 21 2HG PRO 21 -5.958 0.571 -11.761 155 HD2 PRO 21 1HD PRO 21 -3.716 -0.492 -10.088 156 HD3 PRO 21 2HD PRO 21 -5.461 -0.477 -9.757 157 H LYS 22 H LYS 22 -4.571 -2.950 -14.883 158 HA LYS 22 HA LYS 22 -2.464 -4.806 -14.191 159 HB2 LYS 22 1HB LYS 22 -3.598 -4.408 -16.951 160 HB3 LYS 22 2HB LYS 22 -2.944 -5.875 -16.236 161 HG2 LYS 22 1HG LYS 22 -5.546 -4.553 -15.487 162 HG3 LYS 22 2HG LYS 22 -5.364 -6.003 -16.473 163 HD2 LYS 22 1HD LYS 22 -4.582 -7.272 -14.643 164 HD3 LYS 22 2HD LYS 22 -4.306 -5.829 -13.664 165 HE2 LYS 22 1HE LYS 22 -6.307 -7.025 -12.936 166 HE3 LYS 22 2HE LYS 22 -6.709 -5.425 -13.562 167 HZ1 LYS 22 3HZ LYS 22 -8.282 -6.921 -14.451 168 HZ2 LYS 22 1HZ LYS 22 -7.093 -8.047 -14.899 169 HZ3 LYS 22 2HZ LYS 22 -7.216 -6.572 -15.721 170 H LYS 23 H LYS 23 -2.969 -2.109 -16.422 171 HA LYS 23 HA LYS 23 -0.046 -1.756 -16.533 172 HB2 LYS 23 1HB LYS 23 -2.048 -1.274 -18.749 173 HB3 LYS 23 2HB LYS 23 -0.366 -0.774 -18.810 174 HG2 LYS 23 1HG LYS 23 0.244 -3.204 -18.525 175 HG3 LYS 23 2HG LYS 23 -1.465 -3.568 -18.771 176 HD2 LYS 23 1HD LYS 23 -1.371 -2.412 -20.945 177 HD3 LYS 23 2HD LYS 23 0.354 -2.133 -20.703 178 HE2 LYS 23 1HE LYS 23 0.100 -4.039 -22.121 179 HE3 LYS 23 2HE LYS 23 0.659 -4.601 -20.544 180 HZ1 LYS 23 3HZ LYS 23 -1.665 -5.151 -20.013 181 HZ2 LYS 23 1HZ LYS 23 -1.085 -6.024 -21.346 182 HZ3 LYS 23 2HZ LYS 23 -2.124 -4.700 -21.578 183 H LEU 24 H LEU 24 0.690 0.259 -16.149 184 HA LEU 24 HA LEU 24 -1.325 2.339 -15.651 185 HB2 LEU 24 1HB LEU 24 1.189 1.666 -14.144 186 HB3 LEU 24 2HB LEU 24 0.404 3.226 -13.994 187 HG LEU 24 HG LEU 24 -0.903 0.583 -13.346 188 HD11 LEU 24 1HD1 LEU 24 0.930 1.116 -11.811 189 HD12 LEU 24 2HD1 LEU 24 -0.641 1.245 -11.019 190 HD13 LEU 24 3HD1 LEU 24 0.219 2.702 -11.519 191 HD21 LEU 24 3HD2 LEU 24 -1.787 3.425 -12.840 192 HD22 LEU 24 1HD2 LEU 24 -2.643 1.962 -12.348 193 HD23 LEU 24 2HD2 LEU 24 -2.462 2.343 -14.058 194 H LYS 25 H LYS 25 -1.205 3.864 -17.121 195 HA LYS 25 HA LYS 25 1.184 4.401 -18.626 196 HB2 LYS 25 1HB LYS 25 -1.486 5.818 -18.500 197 HB3 LYS 25 2HB LYS 25 -0.188 6.263 -19.600 198 HG2 LYS 25 1HG LYS 25 -0.325 4.078 -20.662 199 HG3 LYS 25 2HG LYS 25 -1.595 3.601 -19.535 200 HD2 LYS 25 1HD LYS 25 -3.076 5.282 -20.403 201 HD3 LYS 25 2HD LYS 25 -1.794 5.944 -21.420 202 HE2 LYS 25 1HE LYS 25 -2.928 3.158 -21.660 203 HE3 LYS 25 2HE LYS 25 -3.411 4.529 -22.658 204 HZ1 LYS 25 3HZ LYS 25 -1.086 4.708 -23.399 205 HZ2 LYS 25 1HZ LYS 25 -1.788 3.221 -23.823 206 HZ3 LYS 25 2HZ LYS 25 -0.704 3.309 -22.519 207 H VAL 26 H VAL 26 2.317 6.423 -18.615 208 HA VAL 26 HA VAL 26 2.899 7.361 -16.016 209 HB VAL 26 HB VAL 26 3.593 8.690 -18.644 210 HG11 VAL 26 1HG1 VAL 26 3.889 10.176 -16.751 211 HG12 VAL 26 2HG1 VAL 26 5.459 9.675 -17.379 212 HG13 VAL 26 3HG1 VAL 26 4.827 8.946 -15.903 213 HG21 VAL 26 3HG2 VAL 26 5.112 6.626 -17.050 214 HG22 VAL 26 1HG2 VAL 26 5.746 7.506 -18.440 215 HG23 VAL 26 2HG2 VAL 26 4.386 6.403 -18.641 216 H GLY 27 H GLY 27 1.649 8.616 -14.819 217 HA2 GLY 27 1HA GLY 27 0.750 10.876 -14.542 218 HA3 GLY 27 2HA GLY 27 0.097 10.739 -16.167 219 H GLU 28 H GLU 28 -0.302 7.788 -14.729 220 HA GLU 28 HA GLU 28 -3.088 8.355 -14.086 221 HB2 GLU 28 1HB GLU 28 -1.534 5.778 -14.329 222 HB3 GLU 28 2HB GLU 28 -3.206 5.841 -13.794 223 HG2 GLU 28 1HG GLU 28 -2.181 6.778 -16.466 224 HG3 GLU 28 2HG GLU 28 -3.022 5.260 -16.152 225 H THR 29 H THR 29 -4.034 7.932 -12.082 226 HA THR 29 HA THR 29 -2.155 7.401 -9.874 227 HB THR 29 HB THR 29 -4.696 9.035 -9.702 228 HG1 THR 29 HG1 THR 29 -2.424 9.757 -10.761 229 HG21 THR 29 3HG2 THR 29 -4.075 7.952 -7.601 230 HG22 THR 29 1HG2 THR 29 -3.799 9.692 -7.504 231 HG23 THR 29 2HG2 THR 29 -2.438 8.595 -7.742 232 H ALA 30 H ALA 30 -2.440 5.363 -9.286 233 HA ALA 30 HA ALA 30 -5.023 4.073 -9.605 234 HB1 ALA 30 3HB ALA 30 -2.422 2.924 -8.599 235 HB2 ALA 30 1HB ALA 30 -2.950 2.918 -10.283 236 HB3 ALA 30 2HB ALA 30 -3.862 2.020 -9.069 237 H GLU 31 H GLU 31 -6.469 3.885 -8.027 238 HA GLU 31 HA GLU 31 -5.724 4.544 -5.303 239 HB2 GLU 31 1HB GLU 31 -8.396 3.869 -6.546 240 HB3 GLU 31 2HB GLU 31 -8.170 4.209 -4.837 241 HG2 GLU 31 1HG GLU 31 -7.238 6.438 -5.509 242 HG3 GLU 31 2HG GLU 31 -7.768 6.077 -7.151 243 H ILE 32 H ILE 32 -4.572 2.923 -4.439 244 HA ILE 32 HA ILE 32 -5.417 0.171 -4.679 245 HB ILE 32 HB ILE 32 -3.358 1.357 -2.801 246 HG12 ILE 32 1HG1 ILE 32 -2.956 0.079 -5.520 247 HG13 ILE 32 2HG1 ILE 32 -2.830 1.802 -5.186 248 HG21 ILE 32 1HG2 ILE 32 -4.133 -0.834 -2.101 249 HG22 ILE 32 2HG2 ILE 32 -2.482 -0.943 -2.713 250 HG23 ILE 32 3HG2 ILE 32 -3.831 -1.481 -3.715 251 HD11 ILE 32 3HD1 ILE 32 -0.639 0.786 -5.323 252 HD12 ILE 32 1HD1 ILE 32 -1.070 -0.359 -4.051 253 HD13 ILE 32 2HD1 ILE 32 -0.949 1.363 -3.684 254 H ARG 33 H ARG 33 -7.357 -0.155 -3.757 255 HA ARG 33 HA ARG 33 -7.961 1.038 -1.185 256 HB2 ARG 33 1HB ARG 33 -9.580 -0.552 -3.161 257 HB3 ARG 33 2HB ARG 33 -10.190 -0.166 -1.555 258 HG2 ARG 33 1HG ARG 33 -10.020 2.193 -1.999 259 HG3 ARG 33 2HG ARG 33 -9.244 1.881 -3.551 260 HD2 ARG 33 1HD ARG 33 -11.981 0.830 -2.925 261 HD3 ARG 33 2HD ARG 33 -11.739 2.465 -3.540 262 HE ARG 33 HE ARG 33 -11.003 -0.005 -4.975 263 HH11 ARG 33 1HH1 ARG 33 -11.908 3.368 -4.935 264 HH12 ARG 33 2HH1 ARG 33 -12.055 3.492 -6.660 265 HH21 ARG 33 1HH2 ARG 33 -11.192 0.152 -7.275 266 HH22 ARG 33 2HH2 ARG 33 -11.657 1.668 -7.978 267 H CYS 34 H CYS 34 -7.462 0.107 0.621 268 HA CYS 34 HA CYS 34 -7.158 -2.819 0.693 269 HB2 CYS 34 1HB CYS 34 -4.956 -1.782 0.588 270 HB3 CYS 34 2HB CYS 34 -5.366 -0.715 1.924 271 HG CYS 34 HG CYS 34 -4.650 -2.290 3.824 272 H GLN 35 H GLN 35 -8.067 -3.825 2.393 273 HA GLN 35 HA GLN 35 -8.879 -2.213 4.699 274 HB2 GLN 35 1HB GLN 35 -10.877 -2.271 3.373 275 HB3 GLN 35 2HB GLN 35 -10.706 -4.000 3.088 276 HG2 GLN 35 1HG GLN 35 -11.123 -4.453 5.436 277 HG3 GLN 35 2HG GLN 35 -11.225 -2.726 5.770 278 HE21 GLN 35 2HE2 GLN 35 -13.312 -2.960 6.581 279 HE22 GLN 35 1HE2 GLN 35 -14.674 -3.202 5.544 280 H LEU 36 H LEU 36 -8.026 -3.110 6.428 281 HA LEU 36 HA LEU 36 -7.525 -5.929 6.645 282 HB2 LEU 36 1HB LEU 36 -6.184 -4.238 7.866 283 HB3 LEU 36 2HB LEU 36 -7.607 -3.777 8.773 284 HG LEU 36 HG LEU 36 -6.741 -6.624 8.923 285 HD11 LEU 36 1HD1 LEU 36 -5.136 -6.079 10.690 286 HD12 LEU 36 2HD1 LEU 36 -5.369 -4.360 10.371 287 HD13 LEU 36 3HD1 LEU 36 -4.644 -5.394 9.142 288 HD21 LEU 36 3HD2 LEU 36 -7.524 -6.358 11.236 289 HD22 LEU 36 1HD2 LEU 36 -8.766 -5.875 10.079 290 HD23 LEU 36 2HD2 LEU 36 -7.833 -4.648 10.936 291 H HIS 37 H HIS 37 -9.125 -7.364 6.897 292 HA HIS 37 HA HIS 37 -11.765 -6.329 7.474 293 HB2 HIS 37 1HB HIS 37 -10.775 -8.998 6.504 294 HB3 HIS 37 2HB HIS 37 -12.449 -8.760 7.001 295 HD1 HIS 37 HD1 HIS 37 -13.995 -7.529 5.389 296 HD2 HIS 37 HD2 HIS 37 -10.020 -7.557 4.157 297 HE1 HIS 37 HE1 HIS 37 -14.011 -6.687 3.024 298 HE2 HIS 37 HE2 HIS 37 -11.587 -6.502 2.375 299 H ARG 38 H ARG 38 -12.015 -5.897 9.530 300 HA ARG 38 HA ARG 38 -11.879 -8.144 11.428 301 HB2 ARG 38 1HB ARG 38 -10.126 -6.465 11.911 302 HB3 ARG 38 2HB ARG 38 -11.351 -5.206 11.964 303 HG2 ARG 38 1HG ARG 38 -12.404 -6.660 13.830 304 HG3 ARG 38 2HG ARG 38 -10.800 -7.388 13.920 305 HD2 ARG 38 1HD ARG 38 -11.333 -4.431 14.107 306 HD3 ARG 38 2HD ARG 38 -11.167 -5.493 15.503 307 HE ARG 38 HE ARG 38 -9.042 -4.779 13.599 308 HH11 ARG 38 1HH1 ARG 38 -10.049 -6.177 16.647 309 HH12 ARG 38 2HH1 ARG 38 -8.467 -6.101 17.358 310 HH21 ARG 38 1HH2 ARG 38 -6.968 -4.655 14.528 311 HH22 ARG 38 2HH2 ARG 38 -6.716 -5.221 16.152 312 H ASP 39 H ASP 39 -13.669 -8.267 12.884 313 HA ASP 39 HA ASP 39 -16.076 -6.971 11.996 314 HB2 ASP 39 1HB ASP 39 -15.562 -8.643 14.469 315 HB3 ASP 39 2HB ASP 39 -17.148 -8.099 13.930 316 H GLY 40 H GLY 40 -14.176 -6.883 14.983 317 HA2 GLY 40 1HA GLY 40 -14.145 -4.128 15.287 318 HA3 GLY 40 2HA GLY 40 -15.570 -4.709 16.139 319 H ARG 41 H ARG 41 -14.611 -3.971 18.083 320 HA ARG 41 HA ARG 41 -13.546 -4.251 20.060 321 HB2 ARG 41 1HB ARG 41 -14.538 -6.483 19.966 322 HB3 ARG 41 2HB ARG 41 -13.160 -7.071 19.048 323 HG2 ARG 41 1HG ARG 41 -11.700 -6.706 20.944 324 HG3 ARG 41 2HG ARG 41 -13.045 -6.031 21.870 325 HD2 ARG 41 1HD ARG 41 -14.221 -8.170 21.713 326 HD3 ARG 41 2HD ARG 41 -12.876 -8.843 20.795 327 HE ARG 41 HE ARG 41 -11.534 -8.744 22.762 328 HH11 ARG 41 1HH1 ARG 41 -14.894 -7.933 23.273 329 HH12 ARG 41 2HH1 ARG 41 -14.859 -8.298 24.973 330 HH21 ARG 41 1HH2 ARG 41 -11.471 -9.206 25.015 331 HH22 ARG 41 2HH2 ARG 41 -12.916 -9.037 25.964 332 H PHE 42 H PHE 42 -11.955 -2.742 19.261 333 HA PHE 42 HA PHE 42 -9.306 -3.918 19.479 334 HB2 PHE 42 1HB PHE 42 -8.421 -2.614 17.562 335 HB3 PHE 42 2HB PHE 42 -9.560 -3.859 17.079 336 HD1 PHE 42 HD2 PHE 42 -11.869 -3.204 16.398 337 HD2 PHE 42 HD1 PHE 42 -8.790 -0.348 17.071 338 HE1 PHE 42 HE2 PHE 42 -13.154 -1.533 15.131 339 HE2 PHE 42 HE1 PHE 42 -10.065 1.333 15.802 340 HZ PHE 42 HZ PHE 42 -12.252 0.741 14.832 341 H GLU 43 H GLU 43 -8.242 -2.852 20.962 342 HA GLU 43 HA GLU 43 -8.625 0.061 21.170 343 HB2 GLU 43 1HB GLU 43 -8.304 -1.833 23.505 344 HB3 GLU 43 2HB GLU 43 -8.479 -0.088 23.602 345 HG2 GLU 43 1HG GLU 43 -10.735 -0.255 22.700 346 HG3 GLU 43 2HG GLU 43 -10.559 -2.005 22.572 347 H GLU 44 H GLU 44 -6.531 -2.677 21.265 348 HA GLU 44 HA GLU 44 -4.262 -1.001 22.060 349 HB2 GLU 44 1HB GLU 44 -3.172 -3.048 22.824 350 HB3 GLU 44 2HB GLU 44 -4.730 -2.843 23.607 351 HG2 GLU 44 1HG GLU 44 -4.166 -4.686 21.287 352 HG3 GLU 44 2HG GLU 44 -4.306 -5.169 22.975 353 H THR 45 H THR 45 -5.495 -3.148 19.655 354 HA THR 45 HA THR 45 -3.033 -3.706 18.373 355 HB THR 45 HB THR 45 -4.759 -4.193 16.400 356 HG1 THR 45 HG1 THR 45 -6.427 -4.616 18.648 357 HG21 THR 45 3HG2 THR 45 -4.497 -5.856 18.905 358 HG22 THR 45 1HG2 THR 45 -3.381 -5.856 17.541 359 HG23 THR 45 2HG2 THR 45 -5.030 -6.444 17.329 360 H LYS 46 H LYS 46 -1.822 -2.159 17.575 361 HA LYS 46 HA LYS 46 -3.075 -0.047 15.950 362 HB2 LYS 46 1HB LYS 46 -0.312 -0.129 17.186 363 HB3 LYS 46 2HB LYS 46 -1.000 1.216 16.287 364 HG2 LYS 46 1HG LYS 46 -2.706 1.506 18.003 365 HG3 LYS 46 2HG LYS 46 -2.038 0.140 18.900 366 HD2 LYS 46 1HD LYS 46 0.102 1.361 19.091 367 HD3 LYS 46 2HD LYS 46 -0.640 2.741 18.278 368 HE2 LYS 46 1HE LYS 46 -1.528 1.531 20.892 369 HE3 LYS 46 2HE LYS 46 -0.634 3.038 20.701 370 HZ1 LYS 46 3HZ LYS 46 -2.991 3.438 21.021 371 HZ2 LYS 46 1HZ LYS 46 -3.365 2.501 19.661 372 HZ3 LYS 46 2HZ LYS 46 -2.510 3.952 19.479 373 H TYR 47 H TYR 47 -2.461 0.223 13.850 374 HA TYR 47 HA TYR 47 -1.007 -2.050 12.720 375 HB2 TYR 47 1HB TYR 47 -2.667 -0.013 11.233 376 HB3 TYR 47 2HB TYR 47 -2.138 -1.592 10.663 377 HD1 TYR 47 HD2 TYR 47 -2.957 -3.598 12.287 378 HD2 TYR 47 HD1 TYR 47 -4.871 0.178 11.853 379 HE1 TYR 47 HE2 TYR 47 -5.070 -4.582 13.066 380 HE2 TYR 47 HE1 TYR 47 -6.987 -0.800 12.636 381 HH TYR 47 HH TYR 47 -8.073 -2.983 12.776 382 H PHE 48 H PHE 48 0.613 -1.754 11.164 383 HA PHE 48 HA PHE 48 1.722 0.962 10.907 384 HB2 PHE 48 1HB PHE 48 3.320 -1.550 11.479 385 HB3 PHE 48 2HB PHE 48 4.002 0.040 11.152 386 HD1 PHE 48 HD1 PHE 48 3.556 1.905 12.772 387 HD2 PHE 48 HD2 PHE 48 2.641 -2.161 13.635 388 HE1 PHE 48 HE1 PHE 48 3.463 2.440 15.170 389 HE2 PHE 48 HE2 PHE 48 2.544 -1.634 16.036 390 HZ PHE 48 HZ PHE 48 2.956 0.670 16.809 391 H ILE 49 H ILE 49 3.039 1.263 8.996 392 HA ILE 49 HA ILE 49 2.753 -0.805 6.943 393 HB ILE 49 HB ILE 49 0.773 0.671 6.770 394 HG12 ILE 49 1HG1 ILE 49 2.704 1.002 4.464 395 HG13 ILE 49 2HG1 ILE 49 1.711 -0.423 4.760 396 HG21 ILE 49 1HG2 ILE 49 1.728 2.729 7.622 397 HG22 ILE 49 2HG2 ILE 49 1.043 2.995 6.020 398 HG23 ILE 49 3HG2 ILE 49 2.787 2.845 6.217 399 HD11 ILE 49 3HD1 ILE 49 0.750 1.011 3.039 400 HD12 ILE 49 1HD1 ILE 49 0.681 2.347 4.190 401 HD13 ILE 49 2HD1 ILE 49 -0.302 0.906 4.452 402 H ARG 50 H ARG 50 4.351 -0.830 5.443 403 HA ARG 50 HA ARG 50 6.132 1.425 5.082 404 HB2 ARG 50 1HB ARG 50 7.008 -0.001 7.055 405 HB3 ARG 50 2HB ARG 50 7.370 -1.220 5.842 406 HG2 ARG 50 1HG ARG 50 8.862 0.317 4.701 407 HG3 ARG 50 2HG ARG 50 8.456 1.591 5.852 408 HD2 ARG 50 1HD ARG 50 10.550 0.662 6.511 409 HD3 ARG 50 2HD ARG 50 9.338 0.121 7.670 410 HE ARG 50 HE ARG 50 9.921 -1.686 5.473 411 HH11 ARG 50 1HH1 ARG 50 10.527 -0.820 8.813 412 HH12 ARG 50 2HH1 ARG 50 11.156 -2.388 9.234 413 HH21 ARG 50 1HH2 ARG 50 10.775 -3.734 6.013 414 HH22 ARG 50 2HH2 ARG 50 11.276 -4.042 7.650 415 H TYR 51 H TYR 51 7.767 0.843 3.284 416 HA TYR 51 HA TYR 51 6.636 -1.173 1.478 417 HB2 TYR 51 1HB TYR 51 7.115 1.733 0.829 418 HB3 TYR 51 2HB TYR 51 6.925 0.493 -0.407 419 HD1 TYR 51 HD2 TYR 51 5.235 2.427 2.202 420 HD2 TYR 51 HD1 TYR 51 4.782 -0.526 -0.823 421 HE1 TYR 51 HE2 TYR 51 2.795 2.674 2.332 422 HE2 TYR 51 HE1 TYR 51 2.342 -0.284 -0.703 423 HH TYR 51 HH TYR 51 0.645 0.482 0.929 424 H PHE 52 H PHE 52 8.008 -1.644 -0.372 425 HA PHE 52 HA PHE 52 10.695 -0.614 -0.429 426 HB2 PHE 52 1HB PHE 52 10.921 -2.435 1.223 427 HB3 PHE 52 2HB PHE 52 10.246 -3.570 0.057 428 HD1 PHE 52 HD1 PHE 52 13.096 -1.258 0.619 429 HD2 PHE 52 HD2 PHE 52 11.632 -4.671 -1.465 430 HE1 PHE 52 HE1 PHE 52 15.355 -1.689 -0.255 431 HE2 PHE 52 HE2 PHE 52 13.889 -5.109 -2.341 432 HZ PHE 52 HZ PHE 52 15.754 -3.617 -1.735 433 H GLN 53 H GLN 53 10.873 -0.127 -2.508 434 HA GLN 53 HA GLN 53 9.847 -2.050 -4.474 435 HB2 GLN 53 1HB GLN 53 10.380 0.183 -5.962 436 HB3 GLN 53 2HB GLN 53 8.802 -0.257 -5.333 437 HG2 GLN 53 1HG GLN 53 9.032 1.976 -4.764 438 HG3 GLN 53 2HG GLN 53 9.437 1.125 -3.278 439 HE21 GLN 53 2HE2 GLN 53 10.602 2.847 -2.476 440 HE22 GLN 53 1HE2 GLN 53 12.150 3.304 -3.102 441 HA PRO 54 HA PRO 54 14.214 -2.748 -5.088 442 HB2 PRO 54 1HB PRO 54 13.505 -5.074 -6.619 443 HB3 PRO 54 2HB PRO 54 14.146 -5.004 -4.977 444 HG2 PRO 54 1HG PRO 54 11.601 -5.841 -5.625 445 HG3 PRO 54 2HG PRO 54 12.081 -5.212 -4.041 446 HD2 PRO 54 1HD PRO 54 10.666 -3.825 -6.279 447 HD3 PRO 54 2HD PRO 54 10.403 -3.696 -4.526 448 H ASP 55 H ASP 55 11.816 -2.015 -7.330 449 HA ASP 55 HA ASP 55 13.835 -1.737 -9.453 450 HB2 ASP 55 1HB ASP 55 11.993 -3.618 -9.705 451 HB3 ASP 55 2HB ASP 55 10.977 -2.261 -10.187 452 H GLY 56 H GLY 56 12.492 -0.316 -11.307 453 HA2 GLY 56 1HA GLY 56 12.362 2.257 -10.000 454 HA3 GLY 56 2HA GLY 56 12.245 1.953 -11.728 455 H ALA 57 H ALA 57 10.611 3.310 -9.345 456 HA ALA 57 HA ALA 57 8.032 2.640 -10.563 457 HB1 ALA 57 3HB ALA 57 6.952 2.533 -8.380 458 HB2 ALA 57 1HB ALA 57 8.511 2.762 -7.589 459 HB3 ALA 57 2HB ALA 57 8.205 1.302 -8.529 460 H GLY 58 H GLY 58 6.357 4.223 -9.210 461 HA2 GLY 58 1HA GLY 58 7.414 6.908 -9.792 462 HA3 GLY 58 2HA GLY 58 5.713 6.457 -9.788 463 H THR 59 H THR 59 4.862 7.785 -8.294 464 HA THR 59 HA THR 59 6.183 7.928 -5.666 465 HB THR 59 HB THR 59 4.172 9.864 -6.828 466 HG1 THR 59 HG1 THR 59 5.814 10.623 -7.909 467 HG21 THR 59 3HG2 THR 59 6.012 10.096 -4.438 468 HG22 THR 59 1HG2 THR 59 4.268 9.838 -4.373 469 HG23 THR 59 2HG2 THR 59 4.912 11.343 -5.025 470 H LEU 60 H LEU 60 5.098 7.295 -3.876 471 HA LEU 60 HA LEU 60 2.305 6.429 -4.208 472 HB2 LEU 60 1HB LEU 60 3.771 4.495 -4.258 473 HB3 LEU 60 2HB LEU 60 4.545 5.008 -2.773 474 HG LEU 60 HG LEU 60 2.515 4.568 -1.511 475 HD11 LEU 60 1HD1 LEU 60 0.850 5.139 -3.183 476 HD12 LEU 60 2HD1 LEU 60 0.580 3.500 -2.585 477 HD13 LEU 60 3HD1 LEU 60 1.330 3.752 -4.161 478 HD21 LEU 60 3HD2 LEU 60 3.291 2.303 -3.340 479 HD22 LEU 60 1HD2 LEU 60 2.420 2.133 -1.816 480 HD23 LEU 60 2HD2 LEU 60 4.076 2.742 -1.822 481 H LYS 61 H LYS 61 0.942 7.257 -2.776 482 HA LYS 61 HA LYS 61 1.961 8.138 -0.162 483 HB2 LYS 61 1HB LYS 61 0.089 9.754 -1.905 484 HB3 LYS 61 2HB LYS 61 0.653 10.195 -0.300 485 HG2 LYS 61 1HG LYS 61 2.939 10.349 -1.159 486 HG3 LYS 61 2HG LYS 61 2.357 9.928 -2.769 487 HD2 LYS 61 1HD LYS 61 1.520 12.349 -1.172 488 HD3 LYS 61 2HD LYS 61 2.672 12.349 -2.507 489 HE2 LYS 61 1HE LYS 61 0.885 11.484 -3.987 490 HE3 LYS 61 2HE LYS 61 -0.250 11.621 -2.645 491 HZ1 LYS 61 3HZ LYS 61 0.260 14.018 -2.571 492 HZ2 LYS 61 1HZ LYS 61 -0.437 13.540 -4.040 493 HZ3 LYS 61 2HZ LYS 61 1.230 13.840 -3.951 494 H MET 62 H MET 62 0.291 8.319 1.466 495 HA MET 62 HA MET 62 -1.924 6.497 1.051 496 HB2 MET 62 1HB MET 62 -0.714 6.470 3.186 497 HB3 MET 62 2HB MET 62 -1.120 8.155 3.460 498 HG2 MET 62 1HG MET 62 -3.397 7.655 3.807 499 HG3 MET 62 2HG MET 62 -3.213 6.022 3.173 500 HE1 MET 62 3HE MET 62 -0.490 7.565 5.511 501 HE2 MET 62 1HE MET 62 -1.149 7.254 7.120 502 HE3 MET 62 2HE MET 62 -1.929 8.430 6.061 503 H SER 63 H SER 63 -4.173 7.203 1.577 504 HA SER 63 HA SER 63 -5.014 9.142 -0.184 505 HB2 SER 63 1HB SER 63 -6.434 7.342 0.728 506 HB3 SER 63 2HB SER 63 -6.494 8.188 2.273 507 HG SER 63 HG SER 63 -7.303 10.016 0.828 508 H ASP 64 H ASP 64 -3.934 9.617 3.083 509 HA ASP 64 HA ASP 64 -5.297 12.111 3.490 510 HB2 ASP 64 1HB ASP 64 -4.193 12.200 5.581 511 HB3 ASP 64 2HB ASP 64 -4.500 10.488 5.302 512 H GLY 65 H GLY 65 -2.338 11.109 2.026 513 HA2 GLY 65 1HA GLY 65 -1.358 12.771 0.488 514 HA3 GLY 65 2HA GLY 65 -1.526 13.939 1.792 515 H THR 66 H THR 66 -0.675 11.221 3.355 516 HA THR 66 HA THR 66 2.030 12.068 3.706 517 HB THR 66 HB THR 66 0.593 9.596 4.695 518 HG1 THR 66 HG1 THR 66 -0.235 11.378 5.716 519 HG21 THR 66 3HG2 THR 66 2.463 9.363 6.277 520 HG22 THR 66 1HG2 THR 66 3.302 10.691 5.474 521 HG23 THR 66 2HG2 THR 66 3.002 9.185 4.606 522 H VAL 67 H VAL 67 3.631 11.661 2.379 523 HA VAL 67 HA VAL 67 3.556 9.649 0.363 524 HB VAL 67 HB VAL 67 5.983 11.126 1.407 525 HG11 VAL 67 1HG1 VAL 67 6.927 10.680 -0.797 526 HG12 VAL 67 2HG1 VAL 67 5.472 9.789 -1.247 527 HG13 VAL 67 3HG1 VAL 67 6.518 9.180 0.037 528 HG21 VAL 67 3HG2 VAL 67 4.290 12.728 0.749 529 HG22 VAL 67 1HG2 VAL 67 4.063 11.895 -0.790 530 HG23 VAL 67 2HG2 VAL 67 5.591 12.706 -0.442 531 H LEU 68 H LEU 68 4.225 7.581 0.442 532 HA LEU 68 HA LEU 68 5.113 6.633 3.073 533 HB2 LEU 68 1HB LEU 68 3.796 5.143 0.801 534 HB3 LEU 68 2HB LEU 68 4.225 4.450 2.353 535 HG LEU 68 HG LEU 68 2.281 6.735 2.050 536 HD11 LEU 68 1HD1 LEU 68 1.709 3.786 2.296 537 HD12 LEU 68 2HD1 LEU 68 1.400 4.791 0.881 538 HD13 LEU 68 3HD1 LEU 68 0.511 5.076 2.377 539 HD21 LEU 68 3HD2 LEU 68 1.616 6.103 4.314 540 HD22 LEU 68 1HD2 LEU 68 3.320 6.553 4.239 541 HD23 LEU 68 2HD2 LEU 68 2.861 4.850 4.328 542 H LEU 69 H LEU 69 7.275 6.672 3.075 543 HA LEU 69 HA LEU 69 8.716 5.590 0.756 544 HB2 LEU 69 1HB LEU 69 9.728 7.229 3.085 545 HB3 LEU 69 2HB LEU 69 10.685 6.713 1.712 546 HG LEU 69 HG LEU 69 8.360 8.634 1.634 547 HD11 LEU 69 1HD1 LEU 69 11.307 9.076 1.185 548 HD12 LEU 69 2HD1 LEU 69 10.409 9.555 2.625 549 HD13 LEU 69 3HD1 LEU 69 10.037 10.295 1.068 550 HD21 LEU 69 3HD2 LEU 69 8.936 8.940 -0.717 551 HD22 LEU 69 1HD2 LEU 69 8.466 7.272 -0.392 552 HD23 LEU 69 2HD2 LEU 69 10.170 7.686 -0.584 553 HA PRO 70 HA PRO 70 10.017 1.970 2.962 554 HB2 PRO 70 1HB PRO 70 12.665 2.202 1.704 555 HB3 PRO 70 2HB PRO 70 11.426 0.964 1.482 556 HG2 PRO 70 1HG PRO 70 12.000 2.746 -0.443 557 HG3 PRO 70 2HG PRO 70 10.352 2.144 -0.187 558 HD2 PRO 70 1HD PRO 70 11.571 4.743 0.678 559 HD3 PRO 70 2HD PRO 70 9.969 4.431 -0.026 560 H ASN 71 H ASN 71 11.541 4.962 3.310 561 HA ASN 71 HA ASN 71 13.687 4.174 5.030 562 HB2 ASN 71 1HB ASN 71 13.681 6.231 3.601 563 HB3 ASN 71 2HB ASN 71 12.465 6.919 4.667 564 HD21 ASN 71 2HD2 ASN 71 15.248 7.683 3.962 565 HD22 ASN 71 1HD2 ASN 71 16.060 7.876 5.484 566 H ASP 72 H ASP 72 10.382 5.307 5.515 567 HA ASP 72 HA ASP 72 10.858 5.253 8.419 568 HB2 ASP 72 1HB ASP 72 8.913 6.921 6.822 569 HB3 ASP 72 2HB ASP 72 8.897 6.812 8.579 570 H LEU 73 H LEU 73 9.174 4.510 9.778 571 HA LEU 73 HA LEU 73 7.339 2.612 8.473 572 HB2 LEU 73 1HB LEU 73 8.905 1.627 10.098 573 HB3 LEU 73 2HB LEU 73 8.318 2.725 11.331 574 HG LEU 73 HG LEU 73 6.094 1.654 11.204 575 HD11 LEU 73 1HD1 LEU 73 7.464 -0.240 9.302 576 HD12 LEU 73 2HD1 LEU 73 6.155 0.875 8.908 577 HD13 LEU 73 3HD1 LEU 73 5.865 -0.476 10.003 578 HD21 LEU 73 3HD2 LEU 73 7.711 0.905 12.862 579 HD22 LEU 73 1HD2 LEU 73 8.385 -0.241 11.704 580 HD23 LEU 73 2HD2 LEU 73 6.734 -0.447 12.288 581 H TYR 74 H TYR 74 5.347 3.365 8.262 582 HA TYR 74 HA TYR 74 4.517 5.635 9.916 583 HB2 TYR 74 1HB TYR 74 3.186 4.527 7.435 584 HB3 TYR 74 2HB TYR 74 2.862 6.074 8.210 585 HD1 TYR 74 HD2 TYR 74 5.177 4.197 6.086 586 HD2 TYR 74 HD1 TYR 74 4.363 7.958 7.896 587 HE1 TYR 74 HE2 TYR 74 6.861 5.249 4.640 588 HE2 TYR 74 HE1 TYR 74 6.048 9.022 6.452 589 HH TYR 74 HH TYR 74 7.938 8.505 5.140 590 HA PRO 75 HA PRO 75 1.543 2.989 11.969 591 HB2 PRO 75 1HB PRO 75 0.405 5.345 13.182 592 HB3 PRO 75 2HB PRO 75 1.414 4.108 13.931 593 HG2 PRO 75 1HG PRO 75 2.212 6.699 13.518 594 HG3 PRO 75 2HG PRO 75 3.325 5.325 13.648 595 HD2 PRO 75 1HD PRO 75 2.323 6.730 11.203 596 HD3 PRO 75 2HD PRO 75 3.948 6.101 11.559 597 H LEU 76 H LEU 76 -0.448 2.344 11.385 598 HA LEU 76 HA LEU 76 -1.938 3.971 9.483 599 HB2 LEU 76 1HB LEU 76 -2.315 1.146 10.471 600 HB3 LEU 76 2HB LEU 76 -3.419 1.932 9.363 601 HG LEU 76 HG LEU 76 -0.500 1.420 8.795 602 HD11 LEU 76 1HD1 LEU 76 -2.953 -0.026 7.791 603 HD12 LEU 76 2HD1 LEU 76 -1.794 -0.661 8.957 604 HD13 LEU 76 3HD1 LEU 76 -1.287 -0.335 7.300 605 HD21 LEU 76 3HD2 LEU 76 -1.100 2.020 6.505 606 HD22 LEU 76 1HD2 LEU 76 -1.408 3.355 7.616 607 HD23 LEU 76 2HD2 LEU 76 -2.748 2.374 7.023 608 HA PRO 77 HA PRO 77 -4.433 5.391 12.928 609 HB2 PRO 77 1HB PRO 77 -5.850 7.217 11.526 610 HB3 PRO 77 2HB PRO 77 -4.181 7.501 12.034 611 HG2 PRO 77 1HG PRO 77 -5.234 6.650 9.368 612 HG3 PRO 77 2HG PRO 77 -3.955 7.818 9.745 613 HD2 PRO 77 1HD PRO 77 -3.465 5.256 8.952 614 HD3 PRO 77 2HD PRO 77 -2.367 6.182 9.992 615 H GLY 78 H GLY 78 -5.292 3.595 10.240 616 HA2 GLY 78 1HA GLY 78 -7.759 2.758 11.459 617 HA3 GLY 78 2HA GLY 78 -7.991 3.635 9.951 618 H GLU 79 H GLU 79 -8.737 0.954 10.354 619 HA GLU 79 HA GLU 79 -6.761 -0.649 8.947 620 HB2 GLU 79 1HB GLU 79 -8.705 -2.385 9.193 621 HB3 GLU 79 2HB GLU 79 -7.738 -1.942 10.593 622 HG2 GLU 79 1HG GLU 79 -9.461 -0.401 11.324 623 HG3 GLU 79 2HG GLU 79 -10.419 -0.773 9.892 624 H THR 80 H THR 80 -9.388 1.337 8.234 625 HA THR 80 HA THR 80 -9.633 0.182 5.538 626 HB THR 80 HB THR 80 -11.713 1.941 5.720 627 HG1 THR 80 HG1 THR 80 -11.851 0.626 8.212 628 HG21 THR 80 3HG2 THR 80 -11.735 -0.956 6.570 629 HG22 THR 80 1HG2 THR 80 -11.847 -0.366 4.911 630 HG23 THR 80 2HG2 THR 80 -13.143 -0.024 6.059 631 H PHE 81 H PHE 81 -8.424 1.285 4.107 632 HA PHE 81 HA PHE 81 -8.484 4.174 4.067 633 HB2 PHE 81 1HB PHE 81 -6.002 4.394 4.200 634 HB3 PHE 81 2HB PHE 81 -6.737 3.856 5.706 635 HD1 PHE 81 HD1 PHE 81 -6.429 1.573 6.493 636 HD2 PHE 81 HD2 PHE 81 -4.543 2.962 2.940 637 HE1 PHE 81 HE1 PHE 81 -4.912 -0.359 6.551 638 HE2 PHE 81 HE2 PHE 81 -3.022 1.030 2.991 639 HZ PHE 81 HZ PHE 81 -3.207 -0.635 4.797 640 H ARG 82 H ARG 82 -7.184 5.056 2.228 641 HA ARG 82 HA ARG 82 -6.968 3.082 0.047 642 HB2 ARG 82 1HB ARG 82 -7.785 5.987 -0.116 643 HB3 ARG 82 2HB ARG 82 -7.436 4.981 -1.514 644 HG2 ARG 82 1HG ARG 82 -9.271 3.450 -0.739 645 HG3 ARG 82 2HG ARG 82 -9.690 4.684 0.453 646 HD2 ARG 82 1HD ARG 82 -9.946 6.311 -1.400 647 HD3 ARG 82 2HD ARG 82 -9.657 5.004 -2.545 648 HE ARG 82 HE ARG 82 -11.771 4.279 -0.827 649 HH11 ARG 82 1HH1 ARG 82 -11.024 6.341 -3.577 650 HH12 ARG 82 2HH1 ARG 82 -12.699 6.545 -4.025 651 HH21 ARG 82 1HH2 ARG 82 -13.974 4.539 -1.445 652 HH22 ARG 82 2HH2 ARG 82 -14.355 5.549 -2.816 653 H LEU 83 H LEU 83 -5.246 3.243 -1.346 654 HA LEU 83 HA LEU 83 -3.076 5.049 -0.499 655 HB2 LEU 83 1HB LEU 83 -2.873 2.370 -1.889 656 HB3 LEU 83 2HB LEU 83 -1.530 3.362 -1.348 657 HG LEU 83 HG LEU 83 -3.582 2.197 0.530 658 HD11 LEU 83 1HD1 LEU 83 -0.877 1.105 -0.224 659 HD12 LEU 83 2HD1 LEU 83 -2.441 0.371 -0.583 660 HD13 LEU 83 3HD1 LEU 83 -1.894 0.511 1.088 661 HD21 LEU 83 3HD2 LEU 83 -1.857 2.665 2.222 662 HD22 LEU 83 1HD2 LEU 83 -2.413 4.129 1.409 663 HD23 LEU 83 2HD2 LEU 83 -0.859 3.414 0.977 664 H TYR 84 H TYR 84 -2.175 6.362 -2.026 665 HA TYR 84 HA TYR 84 -3.352 6.174 -4.718 666 HB2 TYR 84 1HB TYR 84 -2.557 8.549 -3.058 667 HB3 TYR 84 2HB TYR 84 -2.692 8.672 -4.811 668 HD1 TYR 84 HD2 TYR 84 -4.548 8.177 -1.681 669 HD2 TYR 84 HD1 TYR 84 -4.828 8.541 -5.907 670 HE1 TYR 84 HE2 TYR 84 -6.982 8.477 -1.490 671 HE2 TYR 84 HE1 TYR 84 -7.259 8.842 -5.728 672 HH TYR 84 HH TYR 84 -9.076 8.130 -4.012 673 H TYR 85 H TYR 85 -1.996 5.291 -6.068 674 HA TYR 85 HA TYR 85 0.853 5.971 -5.863 675 HB2 TYR 85 1HB TYR 85 0.422 3.580 -5.712 676 HB3 TYR 85 2HB TYR 85 -0.495 3.622 -7.214 677 HD1 TYR 85 HD1 TYR 85 2.893 4.480 -5.906 678 HD2 TYR 85 HD2 TYR 85 0.577 3.046 -9.174 679 HE1 TYR 85 HE1 TYR 85 4.956 4.058 -7.175 680 HE2 TYR 85 HE2 TYR 85 2.632 2.620 -10.451 681 HH TYR 85 HH TYR 85 4.888 3.134 -10.546 682 H THR 86 H THR 86 1.636 7.342 -7.297 683 HA THR 86 HA THR 86 0.192 7.793 -9.808 684 HB THR 86 HB THR 86 2.549 9.339 -8.711 685 HG1 THR 86 HG1 THR 86 -0.168 9.410 -8.091 686 HG21 THR 86 3HG2 THR 86 1.737 11.104 -10.220 687 HG22 THR 86 1HG2 THR 86 0.467 10.022 -10.792 688 HG23 THR 86 2HG2 THR 86 2.160 9.637 -11.105 689 H SER 87 H SER 87 0.844 6.713 -11.552 690 HA SER 87 HA SER 87 3.264 5.190 -11.518 691 HB2 SER 87 1HB SER 87 2.463 4.754 -13.976 692 HB3 SER 87 2HB SER 87 1.561 4.082 -12.616 693 HG SER 87 HG SER 87 0.709 5.760 -14.503 694 H ALA 88 H ALA 88 5.180 5.964 -11.935 695 HA ALA 88 HA ALA 88 5.504 7.927 -14.101 696 HB1 ALA 88 3HB ALA 88 6.948 7.966 -11.448 697 HB2 ALA 88 1HB ALA 88 5.690 9.093 -11.958 698 HB3 ALA 88 2HB ALA 88 7.238 9.060 -12.801 699 H SER 89 H SER 89 5.834 4.943 -13.762 700 HA SER 89 HA SER 89 8.650 4.785 -14.596 701 HB2 SER 89 1HB SER 89 8.320 3.646 -12.449 702 HB3 SER 89 2HB SER 89 7.016 2.683 -13.138 703 HG SER 89 HG SER 89 9.194 1.699 -13.014 704 H THR 90 H THR 90 9.049 2.909 -16.100 705 HA THR 90 HA THR 90 6.766 2.667 -17.951 706 HB THR 90 HB THR 90 8.587 2.664 -19.774 707 HG1 THR 90 HG1 THR 90 10.075 3.137 -17.537 708 HG21 THR 90 3HG2 THR 90 7.982 5.210 -18.257 709 HG22 THR 90 1HG2 THR 90 6.967 4.479 -19.501 710 HG23 THR 90 2HG2 THR 90 8.557 5.115 -19.921 711 H ASP 91 H ASP 91 8.719 0.957 -15.980 712 HA ASP 91 HA ASP 91 8.742 -1.390 -17.762 713 HB2 ASP 91 1HB ASP 91 10.539 -0.711 -15.423 714 HB3 ASP 91 2HB ASP 91 10.511 -2.289 -16.203 715 H GLN 92 H GLN 92 9.058 -3.380 -15.872 716 HA GLN 92 HA GLN 92 6.409 -3.574 -14.816 717 HB2 GLN 92 1HB GLN 92 7.542 -5.583 -15.591 718 HB3 GLN 92 2HB GLN 92 8.833 -5.340 -14.420 719 HG2 GLN 92 1HG GLN 92 7.373 -5.806 -12.594 720 HG3 GLN 92 2HG GLN 92 5.964 -5.797 -13.651 721 HE21 GLN 92 2HE2 GLN 92 7.036 -7.885 -11.849 722 HE22 GLN 92 1HE2 GLN 92 7.234 -9.286 -12.843 723 H GLN 93 H GLN 93 5.776 -2.515 -13.090 724 HA GLN 93 HA GLN 93 7.686 -1.536 -11.154 725 HB2 GLN 93 1HB GLN 93 4.690 -1.218 -11.409 726 HB3 GLN 93 2HB GLN 93 5.642 -0.484 -10.125 727 HG2 GLN 93 1HG GLN 93 6.836 0.867 -11.687 728 HG3 GLN 93 2HG GLN 93 6.117 0.016 -13.052 729 HE21 GLN 93 2HE2 GLN 93 3.476 -0.068 -11.779 730 HE22 GLN 93 1HE2 GLN 93 2.835 1.528 -11.915 731 H THR 94 H THR 94 8.372 -2.885 -9.648 732 HA THR 94 HA THR 94 6.488 -4.797 -8.462 733 HB THR 94 HB THR 94 9.510 -4.752 -8.267 734 HG1 THR 94 HG1 THR 94 9.532 -6.004 -10.005 735 HG21 THR 94 3HG2 THR 94 7.507 -6.893 -7.528 736 HG22 THR 94 1HG2 THR 94 8.411 -5.897 -6.391 737 HG23 THR 94 2HG2 THR 94 9.260 -7.042 -7.429 738 H VAL 95 H VAL 95 5.529 -3.989 -6.721 739 HA VAL 95 HA VAL 95 7.152 -2.411 -4.822 740 HB VAL 95 HB VAL 95 4.174 -2.136 -5.286 741 HG11 VAL 95 1HG1 VAL 95 4.387 -0.129 -3.889 742 HG12 VAL 95 2HG1 VAL 95 6.095 -0.495 -3.635 743 HG13 VAL 95 3HG1 VAL 95 4.856 -1.591 -3.019 744 HG21 VAL 95 3HG2 VAL 95 4.690 0.031 -6.321 745 HG22 VAL 95 1HG2 VAL 95 5.385 -1.313 -7.228 746 HG23 VAL 95 2HG2 VAL 95 6.412 -0.324 -6.191 747 H ASP 96 H ASP 96 7.488 -3.511 -2.996 748 HA ASP 96 HA ASP 96 5.557 -5.568 -2.213 749 HB2 ASP 96 1HB ASP 96 8.062 -6.035 -2.300 750 HB3 ASP 96 2HB ASP 96 8.213 -4.986 -0.892 751 H VAL 97 H VAL 97 4.048 -5.100 -0.802 752 HA VAL 97 HA VAL 97 4.276 -2.635 0.774 753 HB VAL 97 HB VAL 97 1.832 -4.342 0.273 754 HG11 VAL 97 1HG1 VAL 97 0.586 -2.379 1.017 755 HG12 VAL 97 2HG1 VAL 97 2.101 -1.532 1.332 756 HG13 VAL 97 3HG1 VAL 97 1.676 -2.962 2.272 757 HG21 VAL 97 3HG2 VAL 97 2.668 -3.456 -1.828 758 HG22 VAL 97 1HG2 VAL 97 2.724 -1.834 -1.142 759 HG23 VAL 97 2HG2 VAL 97 1.173 -2.642 -1.368 760 H TYR 98 H TYR 98 4.569 -2.709 2.923 761 HA TYR 98 HA TYR 98 4.295 -5.325 4.246 762 HB2 TYR 98 1HB TYR 98 5.924 -2.916 5.082 763 HB3 TYR 98 2HB TYR 98 5.859 -4.457 5.929 764 HD1 TYR 98 HD2 TYR 98 6.895 -6.457 4.945 765 HD2 TYR 98 HD1 TYR 98 7.242 -2.637 3.106 766 HE1 TYR 98 HE2 TYR 98 8.745 -7.297 3.561 767 HE2 TYR 98 HE1 TYR 98 9.086 -3.468 1.715 768 HH TYR 98 HH TYR 98 9.739 -6.666 1.273 769 H PHE 99 H PHE 99 2.525 -5.547 5.414 770 HA PHE 99 HA PHE 99 1.550 -3.240 6.969 771 HB2 PHE 99 1HB PHE 99 0.131 -5.804 6.200 772 HB3 PHE 99 2HB PHE 99 -0.551 -4.554 7.233 773 HD1 PHE 99 HD2 PHE 99 -0.641 -2.165 6.181 774 HD2 PHE 99 HD1 PHE 99 -0.312 -5.768 3.943 775 HE1 PHE 99 HE2 PHE 99 -1.529 -1.010 4.201 776 HE2 PHE 99 HE1 PHE 99 -1.201 -4.619 1.958 777 HZ PHE 99 HZ PHE 99 -1.810 -2.236 2.087 778 H GLN 100 H GLN 100 1.608 -3.342 9.154 779 HA GLN 100 HA GLN 100 2.414 -5.890 10.378 780 HB2 GLN 100 1HB GLN 100 3.648 -3.190 10.957 781 HB3 GLN 100 2HB GLN 100 4.008 -4.680 11.817 782 HG2 GLN 100 1HG GLN 100 4.923 -5.655 9.799 783 HG3 GLN 100 2HG GLN 100 4.507 -4.205 8.891 784 HE21 GLN 100 2HE2 GLN 100 5.714 -4.087 12.155 785 HE22 GLN 100 1HE2 GLN 100 7.257 -3.411 11.770 786 H ASP 101 H ASP 101 1.759 -6.204 12.481 787 HA ASP 101 HA ASP 101 -0.181 -4.257 13.549 788 HB2 ASP 101 1HB ASP 101 0.081 -7.240 13.914 789 HB3 ASP 101 2HB ASP 101 -0.858 -6.256 15.028 790 H SER 102 H SER 102 -0.151 -3.882 15.865 791 HA SER 102 HA SER 102 2.455 -3.790 17.018 792 HB2 SER 102 1HB SER 102 1.236 -3.047 19.075 793 HB3 SER 102 2HB SER 102 0.817 -2.116 17.639 794 HG SER 102 HG SER 102 -0.779 -3.544 19.248 795 H PHE 103 H PHE 103 0.221 -6.193 16.618 796 HA PHE 103 HA PHE 103 0.790 -7.793 18.931 797 HB2 PHE 103 1HB PHE 103 -1.346 -8.054 17.880 798 HB3 PHE 103 2HB PHE 103 -0.612 -8.303 16.304 799 HD1 PHE 103 HD2 PHE 103 -0.985 -9.830 19.664 800 HD2 PHE 103 HD1 PHE 103 -0.132 -10.445 15.539 801 HE1 PHE 103 HE2 PHE 103 -1.057 -12.265 20.012 802 HE2 PHE 103 HE1 PHE 103 -0.205 -12.878 15.881 803 HZ PHE 103 HZ PHE 103 -0.665 -13.790 18.120 804 H GLY 104 H GLY 104 2.355 -7.125 15.977 805 HA2 GLY 104 1HA GLY 104 4.572 -7.855 15.531 806 HA3 GLY 104 2HA GLY 104 4.267 -9.286 16.506 807 H GLN 105 H GLN 105 1.798 -8.425 14.313 808 HA GLN 105 HA GLN 105 2.300 -10.794 12.737 809 HB2 GLN 105 1HB GLN 105 0.012 -10.232 13.454 810 HB3 GLN 105 2HB GLN 105 0.097 -8.724 12.556 811 HG2 GLN 105 1HG GLN 105 -1.192 -10.429 11.377 812 HG3 GLN 105 2HG GLN 105 0.235 -9.933 10.470 813 HE21 GLN 105 2HE2 GLN 105 -1.240 -12.493 12.306 814 HE22 GLN 105 1HE2 GLN 105 -0.154 -13.748 11.809 815 H LEU 106 H LEU 106 2.940 -10.855 10.632 816 HA LEU 106 HA LEU 106 3.684 -8.287 9.386 817 HB2 LEU 106 1HB LEU 106 5.524 -9.949 10.302 818 HB3 LEU 106 2HB LEU 106 5.174 -10.829 8.831 819 HG LEU 106 HG LEU 106 7.125 -9.444 8.510 820 HD11 LEU 106 1HD1 LEU 106 6.446 -8.117 6.575 821 HD12 LEU 106 2HD1 LEU 106 4.756 -8.297 7.048 822 HD13 LEU 106 3HD1 LEU 106 5.693 -9.713 6.571 823 HD21 LEU 106 3HD2 LEU 106 7.038 -7.021 8.685 824 HD22 LEU 106 1HD2 LEU 106 6.666 -7.784 10.229 825 HD23 LEU 106 2HD2 LEU 106 5.368 -7.112 9.242 826 H GLN 107 H GLN 107 2.425 -7.964 7.661 827 HA GLN 107 HA GLN 107 1.828 -10.280 5.937 828 HB2 GLN 107 1HB GLN 107 -0.180 -9.546 7.201 829 HB3 GLN 107 2HB GLN 107 -0.009 -7.941 6.506 830 HG2 GLN 107 1HG GLN 107 -1.731 -9.256 5.384 831 HG3 GLN 107 2HG GLN 107 -0.419 -8.819 4.291 832 HE21 GLN 107 2HE2 GLN 107 -1.927 -11.405 6.069 833 HE22 GLN 107 1HE2 GLN 107 -1.193 -12.707 5.196 834 H GLN 108 H GLN 108 3.021 -10.025 4.162 835 HA GLN 108 HA GLN 108 3.302 -7.298 3.093 836 HB2 GLN 108 1HB GLN 108 5.408 -8.115 2.011 837 HB3 GLN 108 2HB GLN 108 5.459 -8.046 3.766 838 HG2 GLN 108 1HG GLN 108 5.042 -10.466 3.849 839 HG3 GLN 108 2HG GLN 108 5.073 -10.513 2.087 840 HE21 GLN 108 2HE2 GLN 108 7.208 -8.539 1.879 841 HE22 GLN 108 1HE2 GLN 108 8.661 -9.350 2.370 842 H LEU 109 H LEU 109 2.751 -6.871 1.087 843 HA LEU 109 HA LEU 109 1.806 -9.090 -0.613 844 HB2 LEU 109 1HB LEU 109 0.600 -6.329 -0.343 845 HB3 LEU 109 2HB LEU 109 0.043 -7.584 -1.432 846 HG LEU 109 HG LEU 109 0.015 -7.837 1.576 847 HD11 LEU 109 1HD1 LEU 109 -1.456 -6.029 0.852 848 HD12 LEU 109 2HD1 LEU 109 -2.379 -7.418 1.426 849 HD13 LEU 109 3HD1 LEU 109 -2.225 -7.115 -0.305 850 HD21 LEU 109 3HD2 LEU 109 -1.331 -9.454 -0.583 851 HD22 LEU 109 1HD2 LEU 109 -1.488 -9.705 1.157 852 HD23 LEU 109 2HD2 LEU 109 0.067 -9.966 0.365 853 H THR 110 H THR 110 3.114 -9.232 -2.328 854 HA THR 110 HA THR 110 4.541 -6.854 -3.248 855 HB THR 110 HB THR 110 4.865 -9.694 -4.239 856 HG1 THR 110 HG1 THR 110 5.807 -8.419 -1.906 857 HG21 THR 110 3HG2 THR 110 7.093 -8.900 -4.914 858 HG22 THR 110 1HG2 THR 110 6.693 -7.285 -4.322 859 HG23 THR 110 2HG2 THR 110 5.814 -7.969 -5.689 860 H PHE 111 H PHE 111 3.583 -5.665 -4.770 861 HA PHE 111 HA PHE 111 1.776 -6.983 -6.675 862 HB2 PHE 111 1HB PHE 111 2.103 -4.054 -5.986 863 HB3 PHE 111 2HB PHE 111 0.979 -4.683 -7.184 864 HD1 PHE 111 HD1 PHE 111 -0.776 -6.365 -6.368 865 HD2 PHE 111 HD2 PHE 111 1.459 -3.834 -3.778 866 HE1 PHE 111 HE1 PHE 111 -2.484 -6.659 -4.620 867 HE2 PHE 111 HE2 PHE 111 -0.240 -4.123 -2.019 868 HZ PHE 111 HZ PHE 111 -2.216 -5.537 -2.440 869 H SER 112 H SER 112 2.175 -7.023 -8.811 870 HA SER 112 HA SER 112 4.570 -5.599 -9.761 871 HB2 SER 112 1HB SER 112 4.783 -7.499 -11.425 872 HB3 SER 112 2HB SER 112 5.090 -7.942 -9.744 873 HG SER 112 HG SER 112 2.503 -8.191 -10.824 874 H PHE 113 H PHE 113 3.900 -3.936 -10.913 875 HA PHE 113 HA PHE 113 1.413 -4.101 -12.444 876 HB2 PHE 113 1HB PHE 113 3.248 -1.762 -11.880 877 HB3 PHE 113 2HB PHE 113 1.743 -1.662 -12.783 878 HD1 PHE 113 HD2 PHE 113 -0.395 -1.844 -11.659 879 HD2 PHE 113 HD1 PHE 113 3.263 -1.978 -9.490 880 HE1 PHE 113 HE2 PHE 113 -1.617 -1.409 -9.574 881 HE2 PHE 113 HE1 PHE 113 2.043 -1.540 -7.398 882 HZ PHE 113 HZ PHE 113 -0.403 -1.254 -7.441 883 H ASN 114 H ASN 114 1.304 -3.561 -14.651 884 HA ASN 114 HA ASN 114 1.946 -3.279 -16.803 885 HB2 ASN 114 1HB ASN 114 3.431 -1.504 -15.786 886 HB3 ASN 114 2HB ASN 114 4.732 -2.689 -15.788 887 HD21 ASN 114 2HD2 ASN 114 5.942 -1.364 -17.163 888 HD22 ASN 114 1HD2 ASN 114 5.582 -1.241 -18.850 889 H ASN 115 H ASN 115 2.371 -5.826 -15.196 890 HA ASN 115 HA ASN 115 4.228 -7.189 -16.989 891 HB2 ASN 115 1HB ASN 115 4.248 -7.818 -14.588 892 HB3 ASN 115 2HB ASN 115 2.567 -8.323 -14.725 893 HD21 ASN 115 2HD2 ASN 115 5.865 -9.095 -15.485 894 HD22 ASN 115 1HD2 ASN 115 5.565 -10.711 -16.037 895 H ASP 116 H ASP 116 3.505 -7.878 -18.875 896 HA ASP 116 HA ASP 116 0.605 -8.117 -19.254 897 HB2 ASP 116 1HB ASP 116 1.938 -6.526 -20.666 898 HB3 ASP 116 2HB ASP 116 2.784 -7.911 -21.346 899 H SER 117 H SER 117 2.859 -10.110 -18.322 900 HA SER 117 HA SER 117 3.586 -12.232 -18.672 901 HB2 SER 117 1HB SER 117 1.719 -13.895 -18.933 902 HB3 SER 117 2HB SER 117 1.486 -12.734 -17.628 903 HG SER 117 HG SER 117 0.433 -11.743 -19.882 904 H SER 118 H SER 118 4.781 -11.464 -20.564 905 HA SER 118 HA SER 118 3.786 -11.977 -23.187 906 HB2 SER 118 1HB SER 118 6.663 -11.668 -22.295 907 HB3 SER 118 2HB SER 118 6.028 -11.440 -23.926 908 HG SER 118 HG SER 118 4.715 -9.719 -23.023 909 H LYS 119 H LYS 119 5.351 -13.377 -24.637 910 HA LYS 119 HA LYS 119 5.838 -15.418 -25.393 911 HB2 LYS 119 1HB LYS 119 7.377 -16.812 -24.104 912 HB3 LYS 119 2HB LYS 119 7.858 -15.127 -24.114 913 HG2 LYS 119 1HG LYS 119 6.938 -14.898 -21.828 914 HG3 LYS 119 2HG LYS 119 6.575 -16.624 -21.840 915 HD2 LYS 119 1HD LYS 119 8.841 -17.216 -21.887 916 HD3 LYS 119 2HD LYS 119 9.341 -15.602 -22.390 917 HE2 LYS 119 1HE LYS 119 9.923 -15.905 -20.083 918 HE3 LYS 119 2HE LYS 119 8.607 -14.739 -20.188 919 HZ1 LYS 119 3HZ LYS 119 7.082 -16.650 -19.678 920 HZ2 LYS 119 1HZ LYS 119 8.111 -16.185 -18.415 921 HZ3 LYS 119 2HZ LYS 119 8.456 -17.572 -19.320 922 H GLU 120 H GLU 120 5.581 -17.780 -25.240 923 HA GLU 120 HA GLU 120 2.954 -18.400 -24.158 924 HB2 GLU 120 1HB GLU 120 3.597 -19.133 -26.441 925 HB3 GLU 120 2HB GLU 120 4.891 -20.101 -25.750 926 HG2 GLU 120 1HG GLU 120 3.142 -21.379 -24.496 927 HG3 GLU 120 2HG GLU 120 1.929 -20.513 -25.441 928 H GLU 121 H GLU 121 6.248 -18.785 -23.401 929 HA GLU 121 HA GLU 121 6.077 -21.076 -21.733 930 HB2 GLU 121 1HB GLU 121 8.100 -18.828 -21.759 931 HB3 GLU 121 2HB GLU 121 8.299 -20.374 -20.943 932 HG2 GLU 121 1HG GLU 121 8.340 -21.547 -23.019 933 HG3 GLU 121 2HG GLU 121 7.893 -20.089 -23.907 934 H GLU 122 H GLU 122 4.832 -21.110 -20.005 935 HA GLU 122 HA GLU 122 5.078 -18.936 -18.054 936 HB2 GLU 122 1HB GLU 122 2.654 -19.221 -17.509 937 HB3 GLU 122 2HB GLU 122 2.942 -18.546 -19.105 938 HG2 GLU 122 1HG GLU 122 2.499 -20.699 -20.124 939 HG3 GLU 122 2HG GLU 122 2.297 -21.433 -18.535 940 H LEU 123 H LEU 123 4.958 -19.607 -15.879 941 HA LEU 123 HA LEU 123 5.807 -22.288 -15.410 942 HB2 LEU 123 1HB LEU 123 4.911 -20.169 -13.456 943 HB3 LEU 123 2HB LEU 123 5.688 -21.678 -13.016 944 HG LEU 123 HG LEU 123 6.930 -19.448 -14.628 945 HD11 LEU 123 1HD1 LEU 123 8.396 -19.188 -12.700 946 HD12 LEU 123 2HD1 LEU 123 7.493 -20.435 -11.840 947 HD13 LEU 123 3HD1 LEU 123 6.708 -18.914 -12.268 948 HD21 LEU 123 3HD2 LEU 123 8.143 -22.042 -13.685 949 HD22 LEU 123 1HD2 LEU 123 8.977 -20.745 -14.541 950 HD23 LEU 123 2HD2 LEU 123 7.707 -21.663 -15.352 951 H GLU 124 H GLU 124 4.449 -23.880 -15.737 952 HA GLU 124 HA GLU 124 2.641 -25.217 -15.743 953 HB2 GLU 124 1HB GLU 124 1.893 -23.520 -13.381 954 HB3 GLU 124 2HB GLU 124 0.844 -24.798 -13.977 955 HG2 GLU 124 1HG GLU 124 2.856 -26.335 -13.718 956 HG3 GLU 124 2HG GLU 124 3.568 -25.029 -12.769 957 H HIS 125 H HIS 125 1.263 -25.220 -17.341 958 HA HIS 125 HA HIS 125 0.238 -22.980 -18.614 959 HB2 HIS 125 1HB HIS 125 0.330 -25.299 -19.570 960 HB3 HIS 125 2HB HIS 125 -1.053 -25.716 -18.565 961 HD1 HIS 125 HD1 HIS 125 -3.214 -25.557 -19.751 962 HD2 HIS 125 HD2 HIS 125 -0.390 -22.948 -21.338 963 HE1 HIS 125 HE1 HIS 125 -4.343 -24.439 -21.701 964 HE2 HIS 125 HE2 HIS 125 -2.557 -23.003 -22.753 965 H HIS 126 H HIS 126 -1.222 -21.551 -18.033 966 HA HIS 126 HA HIS 126 -2.426 -21.702 -15.499 967 HB2 HIS 126 1HB HIS 126 -2.607 -19.763 -17.764 968 HB3 HIS 126 2HB HIS 126 -3.731 -19.624 -16.410 969 HD1 HIS 126 HD1 HIS 126 -0.300 -18.812 -17.433 970 HD2 HIS 126 HD2 HIS 126 -2.396 -19.244 -13.857 971 HE1 HIS 126 HE1 HIS 126 1.127 -17.734 -15.665 972 HE2 HIS 126 HE2 HIS 126 -0.045 -18.233 -13.489 973 H HIS 127 H HIS 127 -4.541 -21.736 -14.838 974 HA HIS 127 HA HIS 127 -6.102 -23.672 -16.336 975 HB2 HIS 127 1HB HIS 127 -6.415 -22.544 -13.547 976 HB3 HIS 127 2HB HIS 127 -7.474 -23.763 -14.242 977 HD1 HIS 127 HD1 HIS 127 -6.921 -25.924 -13.182 978 HD2 HIS 127 HD2 HIS 127 -3.508 -23.700 -14.016 979 HE1 HIS 127 HE1 HIS 127 -4.982 -27.377 -12.508 980 HE2 HIS 127 HE2 HIS 127 -2.943 -25.928 -12.838 981 H HIS 128 H HIS 128 -8.613 -23.346 -15.907 982 HA HIS 128 HA HIS 128 -9.273 -20.991 -17.456 983 HB2 HIS 128 1HB HIS 128 -11.129 -23.131 -16.383 984 HB3 HIS 128 2HB HIS 128 -11.490 -21.960 -17.647 985 HD1 HIS 128 HD1 HIS 128 -9.572 -22.216 -19.746 986 HD2 HIS 128 HD2 HIS 128 -10.552 -25.537 -17.442 987 HE1 HIS 128 HE1 HIS 128 -8.886 -24.216 -21.110 988 HE2 HIS 128 HE2 HIS 128 -9.572 -26.221 -19.740 989 H HIS 129 H HIS 129 -11.748 -20.267 -16.644 990 HA HIS 129 HA HIS 129 -12.896 -18.933 -15.208 991 HB2 HIS 129 1HB HIS 129 -12.783 -21.010 -13.782 992 HB3 HIS 129 2HB HIS 129 -11.364 -20.328 -13.000 993 HD1 HIS 129 HD1 HIS 129 -15.088 -19.852 -13.291 994 HD2 HIS 129 HD2 HIS 129 -11.891 -18.434 -11.030 995 HE1 HIS 129 HE1 HIS 129 -16.112 -18.557 -11.395 996 HE2 HIS 129 HE2 HIS 129 -14.170 -17.637 -10.084 997 H HIS 130 H HIS 130 -10.969 -17.662 -16.417 998 HA HIS 130 HA HIS 130 -9.994 -15.816 -14.362 999 HB2 HIS 130 1HB HIS 130 -8.312 -17.067 -16.533 1000 HB3 HIS 130 2HB HIS 130 -7.871 -15.546 -15.771 1001 HD1 HIS 130 HD1 HIS 130 -7.749 -19.198 -15.297 1002 HD2 HIS 130 HD2 HIS 130 -7.221 -15.788 -12.973 1003 HE1 HIS 130 HE1 HIS 130 -6.573 -19.972 -13.216 1004 HE2 HIS 130 HE2 HIS 130 -6.120 -17.874 -11.894 Start of MODEL 19 1 H1 MET 1 1H MET 1 6.752 -16.738 23.655 2 H2 MET 1 2H MET 1 6.823 -15.160 23.039 3 H3 MET 1 3H MET 1 8.130 -15.792 23.919 4 HA MET 1 HA MET 1 8.539 -15.735 21.530 5 HB2 MET 1 1HB MET 1 9.427 -17.959 21.342 6 HB3 MET 1 2HB MET 1 9.605 -17.445 23.011 7 HG2 MET 1 1HG MET 1 7.464 -19.280 21.955 8 HG3 MET 1 2HG MET 1 8.908 -19.777 22.833 9 HE1 MET 1 3HE MET 1 5.956 -20.635 23.634 10 HE2 MET 1 1HE MET 1 6.002 -20.430 25.385 11 HE3 MET 1 2HE MET 1 7.382 -21.134 24.544 12 H ASN 2 H ASN 2 7.899 -16.185 19.484 13 HA ASN 2 HA ASN 2 5.602 -17.911 19.043 14 HB2 ASN 2 1HB ASN 2 4.471 -15.811 19.364 15 HB3 ASN 2 2HB ASN 2 5.610 -14.976 18.314 16 HD21 ASN 2 2HD2 ASN 2 3.002 -17.350 18.397 17 HD22 ASN 2 1HD2 ASN 2 2.547 -17.149 16.736 18 H ASP 3 H ASP 3 6.657 -19.290 17.824 19 HA ASP 3 HA ASP 3 7.767 -18.334 15.280 20 HB2 ASP 3 1HB ASP 3 9.674 -18.599 16.802 21 HB3 ASP 3 2HB ASP 3 9.174 -20.249 17.156 22 H ASP 4 H ASP 4 6.111 -20.670 17.154 23 HA ASP 4 HA ASP 4 6.095 -22.629 14.985 24 HB2 ASP 4 1HB ASP 4 4.988 -22.793 17.796 25 HB3 ASP 4 2HB ASP 4 4.962 -24.102 16.620 26 H VAL 5 H VAL 5 3.467 -23.642 15.967 27 HA VAL 5 HA VAL 5 1.861 -21.814 14.331 28 HB VAL 5 HB VAL 5 2.190 -24.166 13.551 29 HG11 VAL 5 1HG1 VAL 5 0.908 -25.962 14.624 30 HG12 VAL 5 2HG1 VAL 5 0.511 -24.870 15.951 31 HG13 VAL 5 3HG1 VAL 5 2.189 -25.332 15.660 32 HG21 VAL 5 3HG2 VAL 5 0.313 -22.874 12.739 33 HG22 VAL 5 1HG2 VAL 5 -0.653 -23.353 14.136 34 HG23 VAL 5 2HG2 VAL 5 -0.157 -24.560 12.951 35 H ASP 6 H ASP 6 2.371 -21.341 17.138 36 HA ASP 6 HA ASP 6 0.044 -22.080 18.649 37 HB2 ASP 6 1HB ASP 6 0.968 -20.401 20.307 38 HB3 ASP 6 2HB ASP 6 2.029 -21.745 19.901 39 H ILE 7 H ILE 7 -1.043 -21.112 16.493 40 HA ILE 7 HA ILE 7 -1.606 -18.275 16.737 41 HB ILE 7 HB ILE 7 -3.049 -18.614 14.756 42 HG12 ILE 7 1HG1 ILE 7 -2.070 -21.479 14.899 43 HG13 ILE 7 2HG1 ILE 7 -3.713 -20.948 15.246 44 HG21 ILE 7 1HG2 ILE 7 -0.244 -19.704 14.544 45 HG22 ILE 7 2HG2 ILE 7 -0.735 -18.013 14.435 46 HG23 ILE 7 3HG2 ILE 7 -1.221 -19.154 13.181 47 HD11 ILE 7 3HD1 ILE 7 -3.944 -20.186 12.935 48 HD12 ILE 7 1HD1 ILE 7 -3.562 -21.904 13.030 49 HD13 ILE 7 2HD1 ILE 7 -2.308 -20.743 12.593 50 H GLN 8 H GLN 8 -2.641 -20.854 18.390 51 HA GLN 8 HA GLN 8 -5.448 -20.676 18.355 52 HB2 GLN 8 1HB GLN 8 -3.619 -21.525 20.608 53 HB3 GLN 8 2HB GLN 8 -5.354 -21.801 20.552 54 HG2 GLN 8 1HG GLN 8 -5.027 -23.131 18.494 55 HG3 GLN 8 2HG GLN 8 -3.286 -22.946 18.694 56 HE21 GLN 8 2HE2 GLN 8 -4.936 -25.354 18.688 57 HE22 GLN 8 1HE2 GLN 8 -4.640 -26.132 20.207 58 H GLN 9 H GLN 9 -6.782 -19.201 19.106 59 HA GLN 9 HA GLN 9 -7.648 -17.402 20.150 60 HB2 GLN 9 1HB GLN 9 -5.478 -18.003 22.155 61 HB3 GLN 9 2HB GLN 9 -6.650 -16.709 22.374 62 HG2 GLN 9 1HG GLN 9 -7.284 -19.637 22.072 63 HG3 GLN 9 2HG GLN 9 -7.307 -18.721 23.578 64 HE21 GLN 9 2HE2 GLN 9 -8.448 -16.349 22.313 65 HE22 GLN 9 1HE2 GLN 9 -10.109 -16.711 21.997 66 H SER 10 H SER 10 -5.022 -17.331 18.419 67 HA SER 10 HA SER 10 -4.371 -14.519 18.924 68 HB2 SER 10 1HB SER 10 -2.469 -16.084 18.607 69 HB3 SER 10 2HB SER 10 -3.091 -16.497 17.009 70 HG SER 10 HG SER 10 -1.375 -14.735 17.337 71 H TYR 11 H TYR 11 -4.945 -12.933 17.470 72 HA TYR 11 HA TYR 11 -6.914 -13.784 15.474 73 HB2 TYR 11 1HB TYR 11 -6.499 -11.079 16.761 74 HB3 TYR 11 2HB TYR 11 -7.757 -11.467 15.591 75 HD1 TYR 11 HD1 TYR 11 -9.571 -13.054 16.213 76 HD2 TYR 11 HD2 TYR 11 -6.720 -11.671 19.056 77 HE1 TYR 11 HE1 TYR 11 -11.041 -13.795 18.041 78 HE2 TYR 11 HE2 TYR 11 -8.183 -12.409 20.888 79 HH TYR 11 HH TYR 11 -10.850 -14.458 20.399 80 HA PRO 12 HA PRO 12 -3.716 -12.518 12.557 81 HB2 PRO 12 1HB PRO 12 -4.661 -13.953 10.481 82 HB3 PRO 12 2HB PRO 12 -3.724 -14.695 11.785 83 HG2 PRO 12 1HG PRO 12 -6.673 -14.701 11.322 84 HG3 PRO 12 2HG PRO 12 -5.625 -16.003 11.910 85 HD2 PRO 12 1HD PRO 12 -7.194 -14.421 13.525 86 HD3 PRO 12 2HD PRO 12 -5.737 -15.276 14.069 87 H PHE 13 H PHE 13 -3.849 -10.631 11.532 88 HA PHE 13 HA PHE 13 -6.412 -9.498 10.924 89 HB2 PHE 13 1HB PHE 13 -5.154 -7.514 10.214 90 HB3 PHE 13 2HB PHE 13 -4.621 -8.071 11.796 91 HD1 PHE 13 HD2 PHE 13 -2.492 -9.463 11.901 92 HD2 PHE 13 HD1 PHE 13 -3.635 -7.205 8.484 93 HE1 PHE 13 HE2 PHE 13 -0.171 -9.510 11.093 94 HE2 PHE 13 HE1 PHE 13 -1.314 -7.247 7.671 95 HZ PHE 13 HZ PHE 13 0.422 -8.404 8.977 96 H SER 14 H SER 14 -7.348 -9.230 8.989 97 HA SER 14 HA SER 14 -6.058 -10.535 6.693 98 HB2 SER 14 1HB SER 14 -8.234 -11.477 7.434 99 HB3 SER 14 2HB SER 14 -8.988 -9.905 7.170 100 HG SER 14 HG SER 14 -8.407 -11.874 5.388 101 H ILE 15 H ILE 15 -5.454 -9.318 5.003 102 HA ILE 15 HA ILE 15 -6.734 -6.700 4.655 103 HB ILE 15 HB ILE 15 -3.757 -7.188 4.429 104 HG12 ILE 15 1HG1 ILE 15 -5.366 -5.481 6.343 105 HG13 ILE 15 2HG1 ILE 15 -4.500 -6.960 6.750 106 HG21 ILE 15 1HG2 ILE 15 -5.353 -4.679 3.914 107 HG22 ILE 15 2HG2 ILE 15 -4.579 -5.683 2.689 108 HG23 ILE 15 3HG2 ILE 15 -3.593 -4.817 3.866 109 HD11 ILE 15 3HD1 ILE 15 -3.263 -4.386 5.809 110 HD12 ILE 15 1HD1 ILE 15 -2.390 -5.867 6.198 111 HD13 ILE 15 2HD1 ILE 15 -3.266 -5.004 7.461 112 H GLU 16 H GLU 16 -7.863 -7.053 2.890 113 HA GLU 16 HA GLU 16 -6.555 -8.371 0.617 114 HB2 GLU 16 1HB GLU 16 -8.824 -8.627 -0.311 115 HB3 GLU 16 2HB GLU 16 -8.675 -9.385 1.270 116 HG2 GLU 16 1HG GLU 16 -9.715 -7.379 2.273 117 HG3 GLU 16 2HG GLU 16 -9.955 -6.742 0.644 118 H THR 17 H THR 17 -6.785 -7.409 -1.468 119 HA THR 17 HA THR 17 -7.046 -4.483 -1.335 120 HB THR 17 HB THR 17 -5.316 -4.412 -3.151 121 HG1 THR 17 HG1 THR 17 -5.058 -6.333 -4.048 122 HG21 THR 17 3HG2 THR 17 -3.399 -4.827 -1.675 123 HG22 THR 17 1HG2 THR 17 -4.441 -5.729 -0.574 124 HG23 THR 17 2HG2 THR 17 -4.697 -4.000 -0.811 125 H MET 18 H MET 18 -8.115 -3.457 -3.011 126 HA MET 18 HA MET 18 -9.941 -5.055 -4.527 127 HB2 MET 18 1HB MET 18 -9.327 -2.097 -4.649 128 HB3 MET 18 2HB MET 18 -10.619 -2.878 -5.550 129 HG2 MET 18 1HG MET 18 -11.568 -3.639 -3.369 130 HG3 MET 18 2HG MET 18 -10.363 -2.634 -2.567 131 HE1 MET 18 3HE MET 18 -13.445 -2.368 -1.999 132 HE2 MET 18 1HE MET 18 -13.670 -0.618 -2.029 133 HE3 MET 18 2HE MET 18 -12.250 -1.312 -1.247 134 HA PRO 19 HA PRO 19 -7.738 -6.081 -8.165 135 HB2 PRO 19 1HB PRO 19 -10.058 -4.973 -9.669 136 HB3 PRO 19 2HB PRO 19 -9.285 -6.557 -9.795 137 HG2 PRO 19 1HG PRO 19 -11.619 -6.291 -8.548 138 HG3 PRO 19 2HG PRO 19 -10.374 -7.391 -7.930 139 HD2 PRO 19 1HD PRO 19 -11.204 -4.710 -6.922 140 HD3 PRO 19 2HD PRO 19 -10.659 -6.140 -6.021 141 H VAL 20 H VAL 20 -6.162 -5.073 -9.201 142 HA VAL 20 HA VAL 20 -6.351 -2.154 -9.460 143 HB VAL 20 HB VAL 20 -3.848 -2.221 -9.509 144 HG11 VAL 20 1HG1 VAL 20 -5.200 -3.401 -7.085 145 HG12 VAL 20 2HG1 VAL 20 -5.019 -1.686 -7.459 146 HG13 VAL 20 3HG1 VAL 20 -3.597 -2.666 -7.100 147 HG21 VAL 20 3HG2 VAL 20 -2.741 -4.279 -8.704 148 HG22 VAL 20 1HG2 VAL 20 -3.525 -4.505 -10.267 149 HG23 VAL 20 2HG2 VAL 20 -4.286 -5.127 -8.803 150 HA PRO 21 HA PRO 21 -5.824 -2.462 -13.871 151 HB2 PRO 21 1HB PRO 21 -4.373 0.017 -14.012 152 HB3 PRO 21 2HB PRO 21 -6.063 -0.281 -14.412 153 HG2 PRO 21 1HG PRO 21 -5.184 1.234 -12.277 154 HG3 PRO 21 2HG PRO 21 -6.792 0.497 -12.403 155 HD2 PRO 21 1HD PRO 21 -4.410 -0.387 -10.847 156 HD3 PRO 21 2HD PRO 21 -6.138 -0.546 -10.467 157 H LYS 22 H LYS 22 -4.355 -3.554 -15.025 158 HA LYS 22 HA LYS 22 -1.718 -3.930 -13.917 159 HB2 LYS 22 1HB LYS 22 -2.903 -5.056 -16.461 160 HB3 LYS 22 2HB LYS 22 -1.454 -5.626 -15.641 161 HG2 LYS 22 1HG LYS 22 -2.781 -6.317 -13.726 162 HG3 LYS 22 2HG LYS 22 -4.243 -5.699 -14.497 163 HD2 LYS 22 1HD LYS 22 -3.806 -7.293 -16.380 164 HD3 LYS 22 2HD LYS 22 -2.513 -7.991 -15.403 165 HE2 LYS 22 1HE LYS 22 -4.115 -8.550 -13.655 166 HE3 LYS 22 2HE LYS 22 -5.414 -7.815 -14.594 167 HZ1 LYS 22 3HZ LYS 22 -5.482 -10.162 -14.915 168 HZ2 LYS 22 1HZ LYS 22 -3.835 -10.225 -15.311 169 HZ3 LYS 22 2HZ LYS 22 -4.928 -9.466 -16.357 170 H LYS 23 H LYS 23 -3.180 -2.163 -16.518 171 HA LYS 23 HA LYS 23 -0.513 -1.309 -17.398 172 HB2 LYS 23 1HB LYS 23 -1.646 -0.531 -19.485 173 HB3 LYS 23 2HB LYS 23 -1.700 -2.268 -19.239 174 HG2 LYS 23 1HG LYS 23 -4.012 -2.070 -18.432 175 HG3 LYS 23 2HG LYS 23 -3.946 -0.330 -18.729 176 HD2 LYS 23 1HD LYS 23 -3.515 -0.758 -21.103 177 HD3 LYS 23 2HD LYS 23 -3.600 -2.493 -20.804 178 HE2 LYS 23 1HE LYS 23 -5.925 -2.247 -20.064 179 HE3 LYS 23 2HE LYS 23 -5.838 -0.514 -20.382 180 HZ1 LYS 23 3HZ LYS 23 -6.882 -1.628 -22.220 181 HZ2 LYS 23 1HZ LYS 23 -5.571 -2.695 -22.384 182 HZ3 LYS 23 2HZ LYS 23 -5.370 -1.045 -22.718 183 H LEU 24 H LEU 24 0.123 0.626 -16.856 184 HA LEU 24 HA LEU 24 -1.880 2.648 -16.108 185 HB2 LEU 24 1HB LEU 24 0.755 2.003 -14.783 186 HB3 LEU 24 2HB LEU 24 -0.147 3.472 -14.470 187 HG LEU 24 HG LEU 24 -1.271 0.713 -13.989 188 HD11 LEU 24 1HD1 LEU 24 0.047 2.602 -12.043 189 HD12 LEU 24 2HD1 LEU 24 0.674 1.040 -12.569 190 HD13 LEU 24 3HD1 LEU 24 -0.809 1.120 -11.618 191 HD21 LEU 24 3HD2 LEU 24 -2.916 1.913 -12.653 192 HD22 LEU 24 1HD2 LEU 24 -2.913 2.508 -14.313 193 HD23 LEU 24 2HD2 LEU 24 -2.132 3.446 -13.038 194 H LYS 25 H LYS 25 -0.857 4.888 -16.069 195 HA LYS 25 HA LYS 25 1.080 5.208 -18.264 196 HB2 LYS 25 1HB LYS 25 -1.270 7.018 -17.627 197 HB3 LYS 25 2HB LYS 25 -0.030 7.361 -18.819 198 HG2 LYS 25 1HG LYS 25 -1.887 6.613 -20.034 199 HG3 LYS 25 2HG LYS 25 -0.777 5.247 -20.001 200 HD2 LYS 25 1HD LYS 25 -2.060 4.135 -18.340 201 HD3 LYS 25 2HD LYS 25 -3.041 5.570 -18.046 202 HE2 LYS 25 1HE LYS 25 -2.971 4.132 -20.688 203 HE3 LYS 25 2HE LYS 25 -4.127 3.751 -19.412 204 HZ1 LYS 25 3HZ LYS 25 -3.820 6.399 -20.734 205 HZ2 LYS 25 1HZ LYS 25 -4.925 6.026 -19.503 206 HZ3 LYS 25 2HZ LYS 25 -5.068 5.286 -21.018 207 H VAL 26 H VAL 26 2.575 6.952 -18.008 208 HA VAL 26 HA VAL 26 3.414 7.620 -15.431 209 HB VAL 26 HB VAL 26 3.813 9.389 -17.847 210 HG11 VAL 26 1HG1 VAL 26 5.907 9.996 -16.745 211 HG12 VAL 26 2HG1 VAL 26 5.508 8.937 -15.392 212 HG13 VAL 26 3HG1 VAL 26 4.514 10.355 -15.727 213 HG21 VAL 26 3HG2 VAL 26 5.827 8.099 -18.330 214 HG22 VAL 26 1HG2 VAL 26 4.374 7.106 -18.459 215 HG23 VAL 26 2HG2 VAL 26 5.414 6.970 -17.040 216 H GLY 27 H GLY 27 2.505 8.886 -13.939 217 HA2 GLY 27 1HA GLY 27 1.618 10.983 -13.213 218 HA3 GLY 27 2HA GLY 27 0.942 11.217 -14.818 219 H GLU 28 H GLU 28 0.102 8.240 -14.571 220 HA GLU 28 HA GLU 28 -2.510 8.788 -13.482 221 HB2 GLU 28 1HB GLU 28 -1.233 6.373 -14.743 222 HB3 GLU 28 2HB GLU 28 -2.805 6.265 -13.966 223 HG2 GLU 28 1HG GLU 28 -2.228 8.256 -16.132 224 HG3 GLU 28 2HG GLU 28 -2.763 6.613 -16.477 225 H THR 29 H THR 29 -3.130 8.479 -11.472 226 HA THR 29 HA THR 29 -1.315 7.027 -9.684 227 HB THR 29 HB THR 29 -3.604 8.875 -8.976 228 HG1 THR 29 HG1 THR 29 -1.750 9.855 -10.066 229 HG21 THR 29 3HG2 THR 29 -2.612 8.894 -6.745 230 HG22 THR 29 1HG2 THR 29 -1.358 7.774 -7.278 231 HG23 THR 29 2HG2 THR 29 -3.042 7.249 -7.215 232 H ALA 30 H ALA 30 -1.815 5.011 -9.217 233 HA ALA 30 HA ALA 30 -4.492 4.006 -9.717 234 HB1 ALA 30 3HB ALA 30 -3.507 1.806 -9.268 235 HB2 ALA 30 1HB ALA 30 -1.991 2.583 -8.809 236 HB3 ALA 30 2HB ALA 30 -2.575 2.699 -10.470 237 H GLU 31 H GLU 31 -5.976 4.238 -8.185 238 HA GLU 31 HA GLU 31 -5.280 4.432 -5.400 239 HB2 GLU 31 1HB GLU 31 -7.180 5.702 -6.292 240 HB3 GLU 31 2HB GLU 31 -7.979 4.205 -6.745 241 HG2 GLU 31 1HG GLU 31 -8.071 3.561 -4.370 242 HG3 GLU 31 2HG GLU 31 -7.339 5.106 -3.946 243 H ILE 32 H ILE 32 -4.618 2.670 -4.392 244 HA ILE 32 HA ILE 32 -5.942 0.106 -4.961 245 HB ILE 32 HB ILE 32 -3.406 0.602 -3.385 246 HG12 ILE 32 1HG1 ILE 32 -3.731 -0.426 -6.216 247 HG13 ILE 32 2HG1 ILE 32 -3.183 1.191 -5.788 248 HG21 ILE 32 1HG2 ILE 32 -4.605 -1.962 -4.440 249 HG22 ILE 32 2HG2 ILE 32 -4.594 -1.446 -2.754 250 HG23 ILE 32 3HG2 ILE 32 -3.076 -1.814 -3.570 251 HD11 ILE 32 3HD1 ILE 32 -1.321 -0.238 -6.385 252 HD12 ILE 32 1HD1 ILE 32 -1.775 -1.383 -5.123 253 HD13 ILE 32 2HD1 ILE 32 -1.227 0.237 -4.689 254 H ARG 33 H ARG 33 -7.769 0.125 -3.742 255 HA ARG 33 HA ARG 33 -7.691 1.081 -1.014 256 HB2 ARG 33 1HB ARG 33 -9.883 -0.169 -2.664 257 HB3 ARG 33 2HB ARG 33 -10.089 0.293 -0.981 258 HG2 ARG 33 1HG ARG 33 -9.459 2.620 -1.626 259 HG3 ARG 33 2HG ARG 33 -9.500 2.096 -3.311 260 HD2 ARG 33 1HD ARG 33 -11.607 3.133 -2.698 261 HD3 ARG 33 2HD ARG 33 -11.836 1.415 -3.031 262 HE ARG 33 HE ARG 33 -11.628 1.239 -0.454 263 HH11 ARG 33 1HH1 ARG 33 -13.103 3.913 -2.177 264 HH12 ARG 33 2HH1 ARG 33 -14.282 4.222 -0.942 265 HH21 ARG 33 1HH2 ARG 33 -13.162 1.658 1.177 266 HH22 ARG 33 2HH2 ARG 33 -14.315 2.944 0.974 267 H CYS 34 H CYS 34 -7.542 -0.088 0.766 268 HA CYS 34 HA CYS 34 -7.351 -3.007 0.462 269 HB2 CYS 34 1HB CYS 34 -5.918 -1.271 2.486 270 HB3 CYS 34 2HB CYS 34 -5.704 -3.004 2.247 271 HG CYS 34 HG CYS 34 -5.052 -0.871 -0.321 272 H GLN 35 H GLN 35 -8.329 -4.280 2.036 273 HA GLN 35 HA GLN 35 -9.982 -2.824 3.993 274 HB2 GLN 35 1HB GLN 35 -11.243 -4.103 2.204 275 HB3 GLN 35 2HB GLN 35 -10.565 -5.576 2.887 276 HG2 GLN 35 1HG GLN 35 -12.606 -5.494 3.925 277 HG3 GLN 35 2HG GLN 35 -11.581 -4.684 5.110 278 HE21 GLN 35 2HE2 GLN 35 -14.407 -4.446 4.831 279 HE22 GLN 35 1HE2 GLN 35 -14.757 -2.783 4.474 280 H LEU 36 H LEU 36 -9.086 -2.973 5.926 281 HA LEU 36 HA LEU 36 -7.576 -5.383 6.630 282 HB2 LEU 36 1HB LEU 36 -6.572 -3.081 6.881 283 HB3 LEU 36 2HB LEU 36 -7.763 -2.764 8.125 284 HG LEU 36 HG LEU 36 -5.831 -5.059 8.366 285 HD11 LEU 36 1HD1 LEU 36 -4.408 -3.558 9.698 286 HD12 LEU 36 2HD1 LEU 36 -5.431 -2.199 9.232 287 HD13 LEU 36 3HD1 LEU 36 -4.499 -3.061 8.007 288 HD21 LEU 36 3HD2 LEU 36 -6.231 -4.682 10.777 289 HD22 LEU 36 1HD2 LEU 36 -7.702 -5.103 9.899 290 HD23 LEU 36 2HD2 LEU 36 -7.400 -3.429 10.363 291 H HIS 37 H HIS 37 -8.524 -6.881 7.821 292 HA HIS 37 HA HIS 37 -10.667 -6.061 9.666 293 HB2 HIS 37 1HB HIS 37 -11.677 -7.091 7.677 294 HB3 HIS 37 2HB HIS 37 -10.681 -8.525 7.908 295 HD1 HIS 37 HD1 HIS 37 -11.906 -10.369 8.999 296 HD2 HIS 37 HD2 HIS 37 -13.341 -6.653 10.192 297 HE1 HIS 37 HE1 HIS 37 -13.791 -10.848 10.593 298 HE2 HIS 37 HE2 HIS 37 -14.511 -8.589 11.451 299 H ARG 38 H ARG 38 -10.016 -6.437 11.652 300 HA ARG 38 HA ARG 38 -9.203 -9.143 12.323 301 HB2 ARG 38 1HB ARG 38 -7.431 -8.336 13.874 302 HB3 ARG 38 2HB ARG 38 -7.047 -8.082 12.178 303 HG2 ARG 38 1HG ARG 38 -7.273 -5.793 12.331 304 HG3 ARG 38 2HG ARG 38 -8.299 -5.885 13.765 305 HD2 ARG 38 1HD ARG 38 -5.381 -6.648 13.721 306 HD3 ARG 38 2HD ARG 38 -5.980 -5.062 14.205 307 HE ARG 38 HE ARG 38 -7.367 -6.593 15.848 308 HH11 ARG 38 1HH1 ARG 38 -3.971 -6.722 14.990 309 HH12 ARG 38 2HH1 ARG 38 -3.497 -7.436 16.498 310 HH21 ARG 38 1HH2 ARG 38 -6.747 -7.474 17.841 311 HH22 ARG 38 2HH2 ARG 38 -5.081 -7.872 18.130 312 H ASP 39 H ASP 39 -10.701 -9.773 13.727 313 HA ASP 39 HA ASP 39 -12.070 -7.836 15.387 314 HB2 ASP 39 1HB ASP 39 -13.043 -10.008 14.261 315 HB3 ASP 39 2HB ASP 39 -12.407 -10.803 15.698 316 H GLY 40 H GLY 40 -12.450 -9.339 17.752 317 HA2 GLY 40 1HA GLY 40 -11.277 -10.074 19.657 318 HA3 GLY 40 2HA GLY 40 -9.761 -9.746 18.826 319 H ARG 41 H ARG 41 -12.393 -7.473 19.009 320 HA ARG 41 HA ARG 41 -12.750 -5.533 20.091 321 HB2 ARG 41 1HB ARG 41 -10.618 -6.444 22.028 322 HB3 ARG 41 2HB ARG 41 -11.747 -5.118 22.278 323 HG2 ARG 41 1HG ARG 41 -13.617 -6.685 22.215 324 HG3 ARG 41 2HG ARG 41 -12.493 -8.018 21.949 325 HD2 ARG 41 1HD ARG 41 -12.981 -8.067 24.243 326 HD3 ARG 41 2HD ARG 41 -11.390 -7.322 24.126 327 HE ARG 41 HE ARG 41 -13.616 -5.470 24.208 328 HH11 ARG 41 1HH1 ARG 41 -11.225 -7.245 26.067 329 HH12 ARG 41 2HH1 ARG 41 -11.318 -6.175 27.436 330 HH21 ARG 41 1HH2 ARG 41 -13.763 -4.092 26.032 331 HH22 ARG 41 2HH2 ARG 41 -12.751 -4.387 27.413 332 H PHE 42 H PHE 42 -12.245 -3.773 19.069 333 HA PHE 42 HA PHE 42 -9.535 -3.209 18.228 334 HB2 PHE 42 1HB PHE 42 -12.097 -1.624 17.924 335 HB3 PHE 42 2HB PHE 42 -10.547 -1.146 17.244 336 HD1 PHE 42 HD2 PHE 42 -13.313 -3.550 17.028 337 HD2 PHE 42 HD1 PHE 42 -9.661 -2.214 15.295 338 HE1 PHE 42 HE2 PHE 42 -13.805 -4.857 15.003 339 HE2 PHE 42 HE1 PHE 42 -10.149 -3.517 13.262 340 HZ PHE 42 HZ PHE 42 -12.220 -4.841 13.117 341 H GLU 43 H GLU 43 -8.291 -2.737 19.956 342 HA GLU 43 HA GLU 43 -9.219 -0.648 21.807 343 HB2 GLU 43 1HB GLU 43 -7.017 -2.692 22.174 344 HB3 GLU 43 2HB GLU 43 -7.599 -1.561 23.391 345 HG2 GLU 43 1HG GLU 43 -9.753 -2.654 23.427 346 HG3 GLU 43 2HG GLU 43 -9.256 -3.734 22.125 347 H GLU 44 H GLU 44 -6.130 -0.792 22.518 348 HA GLU 44 HA GLU 44 -5.432 1.536 20.966 349 HB2 GLU 44 1HB GLU 44 -4.064 -0.016 23.146 350 HB3 GLU 44 2HB GLU 44 -3.199 1.219 22.246 351 HG2 GLU 44 1HG GLU 44 -4.022 2.141 24.302 352 HG3 GLU 44 2HG GLU 44 -4.876 2.874 22.948 353 H THR 45 H THR 45 -5.758 -1.153 19.687 354 HA THR 45 HA THR 45 -3.234 -2.078 18.805 355 HB THR 45 HB THR 45 -5.835 -2.386 17.309 356 HG1 THR 45 HG1 THR 45 -5.501 -4.460 18.886 357 HG21 THR 45 3HG2 THR 45 -3.420 -4.176 17.632 358 HG22 THR 45 1HG2 THR 45 -3.824 -3.233 16.197 359 HG23 THR 45 2HG2 THR 45 -4.866 -4.566 16.700 360 H LYS 46 H LYS 46 -1.902 -0.703 17.768 361 HA LYS 46 HA LYS 46 -3.014 1.088 15.737 362 HB2 LYS 46 1HB LYS 46 -0.257 1.024 16.981 363 HB3 LYS 46 2HB LYS 46 -0.817 2.214 15.814 364 HG2 LYS 46 1HG LYS 46 -2.518 2.968 17.398 365 HG3 LYS 46 2HG LYS 46 -1.947 1.779 18.569 366 HD2 LYS 46 1HD LYS 46 0.275 2.864 18.529 367 HD3 LYS 46 2HD LYS 46 -0.374 4.090 17.439 368 HE2 LYS 46 1HE LYS 46 -1.359 3.514 20.232 369 HE3 LYS 46 2HE LYS 46 -0.324 4.864 19.767 370 HZ1 LYS 46 3HZ LYS 46 -2.596 5.589 19.935 371 HZ2 LYS 46 1HZ LYS 46 -3.118 4.389 18.858 372 HZ3 LYS 46 2HZ LYS 46 -2.122 5.647 18.310 373 H TYR 47 H TYR 47 -2.425 0.991 13.619 374 HA TYR 47 HA TYR 47 -1.068 -1.479 12.801 375 HB2 TYR 47 1HB TYR 47 -2.766 0.380 11.123 376 HB3 TYR 47 2HB TYR 47 -2.203 -1.228 10.677 377 HD1 TYR 47 HD1 TYR 47 -3.087 -3.212 11.966 378 HD2 TYR 47 HD2 TYR 47 -4.784 0.675 12.297 379 HE1 TYR 47 HE1 TYR 47 -5.138 -4.192 12.893 380 HE2 TYR 47 HE2 TYR 47 -6.842 -0.296 13.228 381 HH TYR 47 HH TYR 47 -8.029 -2.398 13.275 382 H PHE 48 H PHE 48 0.611 -1.439 11.280 383 HA PHE 48 HA PHE 48 1.757 1.221 10.738 384 HB2 PHE 48 1HB PHE 48 3.306 -1.268 11.497 385 HB3 PHE 48 2HB PHE 48 3.990 0.313 11.129 386 HD1 PHE 48 HD1 PHE 48 3.417 2.256 12.649 387 HD2 PHE 48 HD2 PHE 48 2.615 -1.802 13.668 388 HE1 PHE 48 HE1 PHE 48 3.243 2.889 15.020 389 HE2 PHE 48 HE2 PHE 48 2.438 -1.172 16.039 390 HZ PHE 48 HZ PHE 48 2.752 1.174 16.718 391 H ILE 49 H ILE 49 2.943 1.425 8.812 392 HA ILE 49 HA ILE 49 2.761 -0.828 6.928 393 HB ILE 49 HB ILE 49 0.907 0.697 6.437 394 HG12 ILE 49 1HG1 ILE 49 3.124 0.875 4.383 395 HG13 ILE 49 2HG1 ILE 49 2.022 -0.483 4.581 396 HG21 ILE 49 1HG2 ILE 49 1.781 2.759 7.332 397 HG22 ILE 49 2HG2 ILE 49 1.364 2.990 5.634 398 HG23 ILE 49 3HG2 ILE 49 3.050 2.791 6.110 399 HD11 ILE 49 3HD1 ILE 49 1.367 0.910 2.710 400 HD12 ILE 49 1HD1 ILE 49 1.262 2.314 3.771 401 HD13 ILE 49 2HD1 ILE 49 0.145 0.964 3.981 402 H ARG 50 H ARG 50 4.469 -1.079 5.580 403 HA ARG 50 HA ARG 50 6.402 0.973 5.056 404 HB2 ARG 50 1HB ARG 50 7.216 0.358 7.249 405 HB3 ARG 50 2HB ARG 50 7.112 -1.351 6.859 406 HG2 ARG 50 1HG ARG 50 8.955 -1.216 5.377 407 HG3 ARG 50 2HG ARG 50 8.952 0.548 5.432 408 HD2 ARG 50 1HD ARG 50 10.739 -0.540 6.811 409 HD3 ARG 50 2HD ARG 50 9.686 0.562 7.697 410 HE ARG 50 HE ARG 50 8.510 -1.830 8.098 411 HH11 ARG 50 1HH1 ARG 50 11.822 -0.786 8.414 412 HH12 ARG 50 2HH1 ARG 50 12.173 -1.834 9.752 413 HH21 ARG 50 1HH2 ARG 50 8.941 -3.210 9.887 414 HH22 ARG 50 2HH2 ARG 50 10.517 -3.192 10.616 415 H TYR 51 H TYR 51 7.512 0.461 3.138 416 HA TYR 51 HA TYR 51 7.063 -2.232 2.082 417 HB2 TYR 51 1HB TYR 51 6.109 -1.432 0.022 418 HB3 TYR 51 2HB TYR 51 5.161 -0.795 1.360 419 HD1 TYR 51 HD1 TYR 51 5.430 1.616 2.010 420 HD2 TYR 51 HD2 TYR 51 7.209 0.009 -1.507 421 HE1 TYR 51 HE1 TYR 51 5.706 3.892 1.115 422 HE2 TYR 51 HE2 TYR 51 7.490 2.275 -2.408 423 HH TYR 51 HH TYR 51 6.952 5.108 -0.489 424 H PHE 52 H PHE 52 8.214 -2.584 -0.000 425 HA PHE 52 HA PHE 52 10.557 -0.833 -0.313 426 HB2 PHE 52 1HB PHE 52 11.196 -2.863 0.983 427 HB3 PHE 52 2HB PHE 52 10.641 -3.862 -0.354 428 HD1 PHE 52 HD1 PHE 52 13.100 -1.247 0.566 429 HD2 PHE 52 HD2 PHE 52 12.059 -4.363 -2.140 430 HE1 PHE 52 HE1 PHE 52 15.337 -1.103 -0.454 431 HE2 PHE 52 HE2 PHE 52 14.291 -4.225 -3.165 432 HZ PHE 52 HZ PHE 52 15.930 -2.594 -2.323 433 H GLN 53 H GLN 53 10.799 -0.175 -2.356 434 HA GLN 53 HA GLN 53 9.439 -1.732 -4.452 435 HB2 GLN 53 1HB GLN 53 9.410 0.465 -5.731 436 HB3 GLN 53 2HB GLN 53 8.329 0.347 -4.353 437 HG2 GLN 53 1HG GLN 53 9.734 1.722 -3.021 438 HG3 GLN 53 2HG GLN 53 11.035 1.648 -4.207 439 HE21 GLN 53 2HE2 GLN 53 7.934 3.029 -3.439 440 HE22 GLN 53 1HE2 GLN 53 7.968 4.273 -4.638 441 HA PRO 54 HA PRO 54 13.826 -2.161 -5.551 442 HB2 PRO 54 1HB PRO 54 13.530 -4.522 -6.843 443 HB3 PRO 54 2HB PRO 54 13.658 -4.407 -5.084 444 HG2 PRO 54 1HG PRO 54 11.217 -4.724 -6.786 445 HG3 PRO 54 2HG PRO 54 11.633 -5.530 -5.262 446 HD2 PRO 54 1HD PRO 54 9.928 -3.413 -5.399 447 HD3 PRO 54 2HD PRO 54 10.945 -3.747 -3.985 448 H ASP 55 H ASP 55 11.104 -2.943 -7.727 449 HA ASP 55 HA ASP 55 12.636 -1.724 -9.924 450 HB2 ASP 55 1HB ASP 55 10.586 -3.941 -10.048 451 HB3 ASP 55 2HB ASP 55 11.322 -3.183 -11.454 452 H GLY 56 H GLY 56 9.646 -1.848 -8.227 453 HA2 GLY 56 1HA GLY 56 8.069 -0.472 -10.169 454 HA3 GLY 56 2HA GLY 56 7.636 -0.755 -8.489 455 H ALA 57 H ALA 57 9.031 1.430 -10.761 456 HA ALA 57 HA ALA 57 9.818 3.356 -8.755 457 HB1 ALA 57 3HB ALA 57 10.444 4.767 -10.646 458 HB2 ALA 57 1HB ALA 57 9.715 3.605 -11.755 459 HB3 ALA 57 2HB ALA 57 11.122 3.146 -10.801 460 H GLY 58 H GLY 58 8.090 4.076 -7.657 461 HA2 GLY 58 1HA GLY 58 6.358 5.933 -9.012 462 HA3 GLY 58 2HA GLY 58 5.525 4.509 -8.403 463 H THR 59 H THR 59 4.960 7.091 -7.551 464 HA THR 59 HA THR 59 6.155 7.296 -4.886 465 HB THR 59 HB THR 59 4.236 9.193 -6.261 466 HG1 THR 59 HG1 THR 59 7.064 9.027 -6.210 467 HG21 THR 59 3HG2 THR 59 6.017 9.556 -3.845 468 HG22 THR 59 1HG2 THR 59 4.258 9.404 -3.822 469 HG23 THR 59 2HG2 THR 59 5.013 10.805 -4.583 470 H LEU 60 H LEU 60 5.141 6.200 -3.301 471 HA LEU 60 HA LEU 60 2.299 5.608 -3.603 472 HB2 LEU 60 1HB LEU 60 3.884 3.780 -3.025 473 HB3 LEU 60 2HB LEU 60 4.230 4.600 -1.514 474 HG LEU 60 HG LEU 60 1.872 4.333 -0.835 475 HD11 LEU 60 1HD1 LEU 60 0.402 2.865 -2.118 476 HD12 LEU 60 2HD1 LEU 60 1.619 2.750 -3.388 477 HD13 LEU 60 3HD1 LEU 60 0.850 4.299 -3.042 478 HD21 LEU 60 3HD2 LEU 60 1.941 1.901 -0.481 479 HD22 LEU 60 1HD2 LEU 60 3.489 2.672 -0.137 480 HD23 LEU 60 2HD2 LEU 60 3.263 1.782 -1.642 481 H LYS 61 H LYS 61 0.878 6.909 -2.760 482 HA LYS 61 HA LYS 61 1.581 8.510 -0.389 483 HB2 LYS 61 1HB LYS 61 -0.580 8.894 -2.475 484 HB3 LYS 61 2HB LYS 61 -0.410 9.888 -1.037 485 HG2 LYS 61 1HG LYS 61 1.623 10.809 -1.797 486 HG3 LYS 61 2HG LYS 61 1.776 9.599 -3.075 487 HD2 LYS 61 1HD LYS 61 -0.178 10.504 -4.196 488 HD3 LYS 61 2HD LYS 61 -0.403 11.675 -2.897 489 HE2 LYS 61 1HE LYS 61 2.153 11.559 -4.462 490 HE3 LYS 61 2HE LYS 61 0.754 12.440 -5.072 491 HZ1 LYS 61 3HZ LYS 61 2.048 12.930 -2.443 492 HZ2 LYS 61 1HZ LYS 61 0.764 13.812 -3.107 493 HZ3 LYS 61 2HZ LYS 61 2.298 13.859 -3.834 494 H MET 62 H MET 62 0.173 8.588 1.363 495 HA MET 62 HA MET 62 -1.551 6.295 1.744 496 HB2 MET 62 1HB MET 62 -0.093 7.306 3.551 497 HB3 MET 62 2HB MET 62 -1.171 8.694 3.556 498 HG2 MET 62 1HG MET 62 -3.040 7.154 4.134 499 HG3 MET 62 2HG MET 62 -1.859 5.857 4.278 500 HE1 MET 62 3HE MET 62 0.629 7.452 5.567 501 HE2 MET 62 1HE MET 62 0.106 5.846 6.082 502 HE3 MET 62 2HE MET 62 0.343 7.122 7.277 503 H SER 63 H SER 63 -3.833 6.636 2.514 504 HA SER 63 HA SER 63 -5.393 7.974 0.687 505 HB2 SER 63 1HB SER 63 -7.093 7.792 2.765 506 HB3 SER 63 2HB SER 63 -6.622 6.408 1.780 507 HG SER 63 HG SER 63 -6.399 6.478 4.297 508 H ASP 64 H ASP 64 -3.847 9.310 3.491 509 HA ASP 64 HA ASP 64 -5.598 11.624 3.567 510 HB2 ASP 64 1HB ASP 64 -4.506 12.253 5.534 511 HB3 ASP 64 2HB ASP 64 -4.446 10.497 5.602 512 H GLY 65 H GLY 65 -2.786 10.650 1.928 513 HA2 GLY 65 1HA GLY 65 -2.160 12.056 0.030 514 HA3 GLY 65 2HA GLY 65 -2.335 13.444 1.090 515 H THR 66 H THR 66 -0.943 11.283 3.045 516 HA THR 66 HA THR 66 1.591 12.548 2.962 517 HB THR 66 HB THR 66 0.764 9.996 4.362 518 HG1 THR 66 HG1 THR 66 -0.416 11.635 5.237 519 HG21 THR 66 3HG2 THR 66 2.688 10.375 5.822 520 HG22 THR 66 1HG2 THR 66 3.157 11.773 4.853 521 HG23 THR 66 2HG2 THR 66 3.203 10.157 4.149 522 H VAL 67 H VAL 67 3.297 12.151 1.699 523 HA VAL 67 HA VAL 67 3.437 9.823 0.008 524 HB VAL 67 HB VAL 67 5.494 11.974 0.572 525 HG11 VAL 67 1HG1 VAL 67 6.565 9.910 -0.169 526 HG12 VAL 67 2HG1 VAL 67 6.654 11.151 -1.419 527 HG13 VAL 67 3HG1 VAL 67 5.484 9.841 -1.559 528 HG21 VAL 67 3HG2 VAL 67 3.616 11.572 -1.755 529 HG22 VAL 67 1HG2 VAL 67 4.854 12.823 -1.641 530 HG23 VAL 67 2HG2 VAL 67 3.492 12.824 -0.520 531 H LEU 68 H LEU 68 4.247 7.910 0.559 532 HA LEU 68 HA LEU 68 5.394 7.650 3.221 533 HB2 LEU 68 1HB LEU 68 4.547 5.505 1.275 534 HB3 LEU 68 2HB LEU 68 4.933 5.284 2.971 535 HG LEU 68 HG LEU 68 2.600 6.904 1.945 536 HD11 LEU 68 1HD1 LEU 68 2.689 4.115 3.086 537 HD12 LEU 68 2HD1 LEU 68 2.270 4.566 1.433 538 HD13 LEU 68 3HD1 LEU 68 1.222 5.041 2.769 539 HD21 LEU 68 3HD2 LEU 68 3.348 6.012 4.725 540 HD22 LEU 68 1HD2 LEU 68 1.855 6.841 4.281 541 HD23 LEU 68 2HD2 LEU 68 3.408 7.662 4.106 542 H LEU 69 H LEU 69 7.540 7.668 3.449 543 HA LEU 69 HA LEU 69 9.323 6.888 1.336 544 HB2 LEU 69 1HB LEU 69 9.703 7.618 4.227 545 HB3 LEU 69 2HB LEU 69 11.024 6.942 3.297 546 HG LEU 69 HG LEU 69 11.248 9.334 3.339 547 HD11 LEU 69 1HD1 LEU 69 11.267 9.842 0.958 548 HD12 LEU 69 2HD1 LEU 69 10.247 8.438 0.644 549 HD13 LEU 69 3HD1 LEU 69 11.880 8.218 1.271 550 HD21 LEU 69 3HD2 LEU 69 9.543 10.823 2.388 551 HD22 LEU 69 1HD2 LEU 69 8.956 9.963 3.812 552 HD23 LEU 69 2HD2 LEU 69 8.459 9.444 2.201 553 HA PRO 70 HA PRO 70 8.705 2.579 1.577 554 HB2 PRO 70 1HB PRO 70 11.620 2.515 0.928 555 HB3 PRO 70 2HB PRO 70 10.280 1.651 0.166 556 HG2 PRO 70 1HG PRO 70 11.333 3.784 -1.011 557 HG3 PRO 70 2HG PRO 70 9.579 3.520 -1.022 558 HD2 PRO 70 1HD PRO 70 11.195 5.440 0.579 559 HD3 PRO 70 2HD PRO 70 9.556 5.619 -0.080 560 H ASN 71 H ASN 71 11.771 3.695 3.031 561 HA ASN 71 HA ASN 71 11.889 1.263 4.609 562 HB2 ASN 71 1HB ASN 71 14.121 2.130 5.319 563 HB3 ASN 71 2HB ASN 71 13.946 1.931 3.580 564 HD21 ASN 71 2HD2 ASN 71 13.876 3.731 2.262 565 HD22 ASN 71 1HD2 ASN 71 14.300 5.317 2.822 566 H ASP 72 H ASP 72 10.219 3.998 5.101 567 HA ASP 72 HA ASP 72 10.917 4.160 7.955 568 HB2 ASP 72 1HB ASP 72 10.884 6.304 6.651 569 HB3 ASP 72 2HB ASP 72 9.158 6.064 6.392 570 H LEU 73 H LEU 73 9.353 3.877 9.538 571 HA LEU 73 HA LEU 73 7.117 2.209 8.676 572 HB2 LEU 73 1HB LEU 73 8.683 1.433 10.457 573 HB3 LEU 73 2HB LEU 73 8.136 2.757 11.467 574 HG LEU 73 HG LEU 73 5.820 1.795 11.349 575 HD11 LEU 73 1HD1 LEU 73 5.583 -0.532 10.643 576 HD12 LEU 73 2HD1 LEU 73 7.266 -0.547 10.121 577 HD13 LEU 73 3HD1 LEU 73 6.101 0.493 9.305 578 HD21 LEU 73 3HD2 LEU 73 7.224 1.434 13.296 579 HD22 LEU 73 1HD2 LEU 73 7.989 0.050 12.511 580 HD23 LEU 73 2HD2 LEU 73 6.281 -0.015 12.944 581 H TYR 74 H TYR 74 5.263 3.219 8.276 582 HA TYR 74 HA TYR 74 4.573 5.613 9.849 583 HB2 TYR 74 1HB TYR 74 3.504 4.638 7.192 584 HB3 TYR 74 2HB TYR 74 2.943 6.081 8.032 585 HD1 TYR 74 HD1 TYR 74 4.468 8.016 8.301 586 HD2 TYR 74 HD2 TYR 74 5.515 4.651 5.927 587 HE1 TYR 74 HE1 TYR 74 6.225 9.342 7.209 588 HE2 TYR 74 HE2 TYR 74 7.278 5.963 4.827 589 HH TYR 74 HH TYR 74 8.401 8.871 6.009 590 HA PRO 75 HA PRO 75 1.134 3.324 11.539 591 HB2 PRO 75 1HB PRO 75 -0.260 5.331 12.624 592 HB3 PRO 75 2HB PRO 75 1.326 4.870 13.257 593 HG2 PRO 75 1HG PRO 75 0.571 7.170 11.520 594 HG3 PRO 75 2HG PRO 75 1.762 7.092 12.828 595 HD2 PRO 75 1HD PRO 75 2.322 6.922 10.102 596 HD3 PRO 75 2HD PRO 75 3.410 6.429 11.413 597 H LEU 76 H LEU 76 -0.935 2.731 10.997 598 HA LEU 76 HA LEU 76 -2.092 4.027 8.646 599 HB2 LEU 76 1HB LEU 76 -2.688 1.400 10.006 600 HB3 LEU 76 2HB LEU 76 -3.623 2.021 8.657 601 HG LEU 76 HG LEU 76 -0.671 1.365 8.564 602 HD11 LEU 76 1HD1 LEU 76 -3.025 -0.126 7.408 603 HD12 LEU 76 2HD1 LEU 76 -2.082 -0.630 8.810 604 HD13 LEU 76 3HD1 LEU 76 -1.322 -0.548 7.221 605 HD21 LEU 76 3HD2 LEU 76 -0.913 1.681 6.153 606 HD22 LEU 76 1HD2 LEU 76 -1.324 3.158 7.024 607 HD23 LEU 76 2HD2 LEU 76 -2.602 2.134 6.370 608 HA PRO 77 HA PRO 77 -4.930 6.230 11.209 609 HB2 PRO 77 1HB PRO 77 -6.622 7.068 9.257 610 HB3 PRO 77 2HB PRO 77 -5.026 7.776 9.522 611 HG2 PRO 77 1HG PRO 77 -5.886 5.748 7.498 612 HG3 PRO 77 2HG PRO 77 -4.810 7.145 7.302 613 HD2 PRO 77 1HD PRO 77 -3.884 4.615 7.591 614 HD3 PRO 77 2HD PRO 77 -2.998 6.034 8.183 615 H GLY 78 H GLY 78 -5.952 3.620 9.107 616 HA2 GLY 78 1HA GLY 78 -7.933 2.791 10.975 617 HA3 GLY 78 2HA GLY 78 -8.668 3.543 9.569 618 H GLU 79 H GLU 79 -9.533 1.217 9.751 619 HA GLU 79 HA GLU 79 -7.816 -0.843 8.678 620 HB2 GLU 79 1HB GLU 79 -10.770 -1.203 8.760 621 HB3 GLU 79 2HB GLU 79 -9.495 -2.328 9.191 622 HG2 GLU 79 1HG GLU 79 -10.456 -1.901 11.227 623 HG3 GLU 79 2HG GLU 79 -9.134 -0.733 11.213 624 H THR 80 H THR 80 -10.307 1.316 7.545 625 HA THR 80 HA THR 80 -10.437 0.007 4.940 626 HB THR 80 HB THR 80 -12.183 1.947 4.619 627 HG1 THR 80 HG1 THR 80 -12.125 3.168 6.382 628 HG21 THR 80 3HG2 THR 80 -12.659 -0.398 6.464 629 HG22 THR 80 1HG2 THR 80 -12.784 -0.407 4.705 630 HG23 THR 80 2HG2 THR 80 -13.921 0.539 5.664 631 H PHE 81 H PHE 81 -7.981 1.151 5.464 632 HA PHE 81 HA PHE 81 -7.828 3.853 4.526 633 HB2 PHE 81 1HB PHE 81 -5.408 3.581 4.707 634 HB3 PHE 81 2HB PHE 81 -6.207 2.977 6.154 635 HD1 PHE 81 HD2 PHE 81 -6.439 0.512 6.478 636 HD2 PHE 81 HD1 PHE 81 -4.061 2.186 3.370 637 HE1 PHE 81 HE2 PHE 81 -5.259 -1.632 6.229 638 HE2 PHE 81 HE1 PHE 81 -2.879 0.045 3.118 639 HZ PHE 81 HZ PHE 81 -3.476 -1.867 4.546 640 H ARG 82 H ARG 82 -6.381 4.460 2.694 641 HA ARG 82 HA ARG 82 -6.612 2.568 0.456 642 HB2 ARG 82 1HB ARG 82 -7.136 5.525 0.127 643 HB3 ARG 82 2HB ARG 82 -7.443 4.238 -1.030 644 HG2 ARG 82 1HG ARG 82 -9.565 4.645 -0.302 645 HG3 ARG 82 2HG ARG 82 -9.088 3.397 0.853 646 HD2 ARG 82 1HD ARG 82 -8.365 5.256 2.393 647 HD3 ARG 82 2HD ARG 82 -9.124 6.382 1.270 648 HE ARG 82 HE ARG 82 -10.770 4.227 2.370 649 HH11 ARG 82 1HH1 ARG 82 -9.900 7.621 2.376 650 HH12 ARG 82 2HH1 ARG 82 -11.325 8.117 3.241 651 HH21 ARG 82 1HH2 ARG 82 -12.655 4.879 3.500 652 HH22 ARG 82 2HH2 ARG 82 -12.887 6.565 3.867 653 H LEU 83 H LEU 83 -4.959 2.689 -1.070 654 HA LEU 83 HA LEU 83 -2.728 4.477 -0.356 655 HB2 LEU 83 1HB LEU 83 -2.638 1.727 -1.606 656 HB3 LEU 83 2HB LEU 83 -1.244 2.757 -1.358 657 HG LEU 83 HG LEU 83 -2.974 1.591 0.821 658 HD11 LEU 83 1HD1 LEU 83 -0.176 0.920 -0.081 659 HD12 LEU 83 2HD1 LEU 83 -1.609 -0.091 -0.272 660 HD13 LEU 83 3HD1 LEU 83 -0.981 0.255 1.340 661 HD21 LEU 83 3HD2 LEU 83 -1.267 2.471 2.344 662 HD22 LEU 83 1HD2 LEU 83 -2.076 3.765 1.457 663 HD23 LEU 83 2HD2 LEU 83 -0.459 3.247 0.981 664 H TYR 84 H TYR 84 -1.777 5.654 -1.965 665 HA TYR 84 HA TYR 84 -3.039 5.435 -4.619 666 HB2 TYR 84 1HB TYR 84 -2.118 7.889 -3.116 667 HB3 TYR 84 2HB TYR 84 -2.519 7.905 -4.832 668 HD1 TYR 84 HD1 TYR 84 -4.824 7.609 -5.572 669 HD2 TYR 84 HD2 TYR 84 -3.850 7.692 -1.434 670 HE1 TYR 84 HE1 TYR 84 -7.203 7.910 -5.025 671 HE2 TYR 84 HE2 TYR 84 -6.226 7.995 -0.877 672 HH TYR 84 HH TYR 84 -8.717 7.481 -3.103 673 H TYR 85 H TYR 85 -1.675 4.523 -5.977 674 HA TYR 85 HA TYR 85 1.202 4.947 -5.675 675 HB2 TYR 85 1HB TYR 85 0.419 2.641 -5.892 676 HB3 TYR 85 2HB TYR 85 -0.366 3.029 -7.416 677 HD1 TYR 85 HD1 TYR 85 2.960 2.829 -5.770 678 HD2 TYR 85 HD2 TYR 85 0.804 2.840 -9.440 679 HE1 TYR 85 HE1 TYR 85 5.008 2.187 -6.969 680 HE2 TYR 85 HE2 TYR 85 2.847 2.201 -10.649 681 HH TYR 85 HH TYR 85 5.274 2.320 -10.357 682 H THR 86 H THR 86 1.852 6.788 -6.624 683 HA THR 86 HA THR 86 0.705 7.644 -9.150 684 HB THR 86 HB THR 86 3.031 8.879 -7.660 685 HG1 THR 86 HG1 THR 86 0.222 9.172 -7.325 686 HG21 THR 86 3HG2 THR 86 2.367 10.915 -8.840 687 HG22 THR 86 1HG2 THR 86 1.066 10.031 -9.646 688 HG23 THR 86 2HG2 THR 86 2.749 9.625 -9.979 689 H SER 87 H SER 87 1.358 6.543 -10.892 690 HA SER 87 HA SER 87 3.808 5.160 -11.118 691 HB2 SER 87 1HB SER 87 2.085 6.053 -13.428 692 HB3 SER 87 2HB SER 87 3.069 4.594 -13.298 693 HG SER 87 HG SER 87 0.523 5.088 -12.384 694 H ALA 88 H ALA 88 5.779 5.813 -11.806 695 HA ALA 88 HA ALA 88 5.992 8.372 -13.234 696 HB1 ALA 88 3HB ALA 88 7.641 7.613 -10.831 697 HB2 ALA 88 1HB ALA 88 6.376 8.841 -10.876 698 HB3 ALA 88 2HB ALA 88 7.852 9.062 -11.816 699 H SER 89 H SER 89 6.299 5.458 -13.922 700 HA SER 89 HA SER 89 8.993 5.661 -15.104 701 HB2 SER 89 1HB SER 89 8.829 3.916 -13.272 702 HB3 SER 89 2HB SER 89 7.638 3.078 -14.263 703 HG SER 89 HG SER 89 10.378 3.548 -14.818 704 H THR 90 H THR 90 9.003 3.890 -17.074 705 HA THR 90 HA THR 90 6.985 4.598 -18.916 706 HB THR 90 HB THR 90 7.740 2.424 -20.096 707 HG1 THR 90 HG1 THR 90 10.018 1.990 -19.088 708 HG21 THR 90 3HG2 THR 90 9.848 3.433 -20.819 709 HG22 THR 90 1HG2 THR 90 9.799 4.535 -19.443 710 HG23 THR 90 2HG2 THR 90 8.572 4.646 -20.706 711 H ASP 91 H ASP 91 7.488 1.604 -17.082 712 HA ASP 91 HA ASP 91 5.759 1.947 -15.209 713 HB2 ASP 91 1HB ASP 91 4.096 1.231 -17.547 714 HB3 ASP 91 2HB ASP 91 3.723 0.485 -15.998 715 H GLN 92 H GLN 92 7.482 0.683 -14.628 716 HA GLN 92 HA GLN 92 6.921 -2.190 -14.760 717 HB2 GLN 92 1HB GLN 92 9.332 -1.084 -15.130 718 HB3 GLN 92 2HB GLN 92 9.357 -1.154 -13.374 719 HG2 GLN 92 1HG GLN 92 8.889 -3.506 -15.196 720 HG3 GLN 92 2HG GLN 92 10.420 -3.105 -14.426 721 HE21 GLN 92 2HE2 GLN 92 8.672 -5.478 -14.222 722 HE22 GLN 92 1HE2 GLN 92 8.359 -5.670 -12.531 723 H GLN 93 H GLN 93 5.702 -2.923 -13.096 724 HA GLN 93 HA GLN 93 5.989 -1.478 -10.552 725 HB2 GLN 93 1HB GLN 93 3.498 -2.904 -11.474 726 HB3 GLN 93 2HB GLN 93 3.673 -1.875 -10.062 727 HG2 GLN 93 1HG GLN 93 2.684 -0.380 -11.435 728 HG3 GLN 93 2HG GLN 93 4.353 -0.104 -11.928 729 HE21 GLN 93 2HE2 GLN 93 1.977 0.387 -13.459 730 HE22 GLN 93 1HE2 GLN 93 2.075 -0.600 -14.873 731 H THR 94 H THR 94 7.252 -2.679 -9.360 732 HA THR 94 HA THR 94 6.215 -5.276 -8.526 733 HB THR 94 HB THR 94 9.160 -4.830 -9.098 734 HG1 THR 94 HG1 THR 94 7.174 -5.470 -10.767 735 HG21 THR 94 3HG2 THR 94 9.363 -7.237 -8.663 736 HG22 THR 94 1HG2 THR 94 7.642 -7.323 -8.293 737 HG23 THR 94 2HG2 THR 94 8.722 -6.392 -7.255 738 H VAL 95 H VAL 95 5.679 -4.793 -6.472 739 HA VAL 95 HA VAL 95 7.666 -3.442 -4.779 740 HB VAL 95 HB VAL 95 4.749 -2.635 -4.851 741 HG11 VAL 95 1HG1 VAL 95 7.068 -1.422 -3.356 742 HG12 VAL 95 2HG1 VAL 95 5.821 -2.447 -2.647 743 HG13 VAL 95 3HG1 VAL 95 5.392 -0.872 -3.317 744 HG21 VAL 95 3HG2 VAL 95 7.164 -1.151 -5.878 745 HG22 VAL 95 1HG2 VAL 95 5.534 -0.488 -5.751 746 HG23 VAL 95 2HG2 VAL 95 5.858 -1.829 -6.850 747 H ASP 96 H ASP 96 7.831 -4.314 -2.799 748 HA ASP 96 HA ASP 96 5.771 -6.215 -1.922 749 HB2 ASP 96 1HB ASP 96 8.659 -5.830 -1.181 750 HB3 ASP 96 2HB ASP 96 7.566 -6.660 -0.080 751 H VAL 97 H VAL 97 4.246 -5.347 -0.700 752 HA VAL 97 HA VAL 97 4.954 -3.054 0.997 753 HB VAL 97 HB VAL 97 2.186 -3.976 0.197 754 HG11 VAL 97 1HG1 VAL 97 1.508 -1.746 1.024 755 HG12 VAL 97 2HG1 VAL 97 3.161 -1.476 1.577 756 HG13 VAL 97 3HG1 VAL 97 2.192 -2.763 2.291 757 HG21 VAL 97 3HG2 VAL 97 3.403 -3.207 -1.758 758 HG22 VAL 97 1HG2 VAL 97 3.880 -1.736 -0.909 759 HG23 VAL 97 2HG2 VAL 97 2.183 -2.018 -1.303 760 H TYR 98 H TYR 98 5.315 -3.485 3.050 761 HA TYR 98 HA TYR 98 4.212 -5.903 4.251 762 HB2 TYR 98 1HB TYR 98 6.204 -3.901 5.339 763 HB3 TYR 98 2HB TYR 98 5.700 -5.371 6.159 764 HD1 TYR 98 HD1 TYR 98 7.644 -4.012 3.343 765 HD2 TYR 98 HD2 TYR 98 6.578 -7.505 5.525 766 HE1 TYR 98 HE1 TYR 98 9.479 -5.242 2.263 767 HE2 TYR 98 HE2 TYR 98 8.406 -8.744 4.459 768 HH TYR 98 HH TYR 98 10.914 -7.266 2.828 769 H PHE 99 H PHE 99 2.466 -5.853 5.457 770 HA PHE 99 HA PHE 99 1.692 -3.313 6.720 771 HB2 PHE 99 1HB PHE 99 0.034 -5.744 6.015 772 HB3 PHE 99 2HB PHE 99 -0.565 -4.387 6.964 773 HD1 PHE 99 HD2 PHE 99 -0.459 -2.064 5.888 774 HD2 PHE 99 HD1 PHE 99 -0.097 -5.688 3.689 775 HE1 PHE 99 HE2 PHE 99 -1.056 -0.869 3.822 776 HE2 PHE 99 HE1 PHE 99 -0.692 -4.494 1.616 777 HZ PHE 99 HZ PHE 99 -1.173 -2.083 1.688 778 H GLN 100 H GLN 100 2.120 -3.159 8.801 779 HA GLN 100 HA GLN 100 2.840 -5.648 10.205 780 HB2 GLN 100 1HB GLN 100 4.550 -3.767 9.643 781 HB3 GLN 100 2HB GLN 100 3.800 -2.909 10.980 782 HG2 GLN 100 1HG GLN 100 4.402 -4.693 12.499 783 HG3 GLN 100 2HG GLN 100 5.071 -5.632 11.163 784 HE21 GLN 100 2HE2 GLN 100 5.540 -2.969 13.310 785 HE22 GLN 100 1HE2 GLN 100 7.191 -2.644 12.887 786 H ASP 101 H ASP 101 1.523 -6.245 11.784 787 HA ASP 101 HA ASP 101 -0.337 -4.323 12.953 788 HB2 ASP 101 1HB ASP 101 -1.150 -6.541 12.198 789 HB3 ASP 101 2HB ASP 101 -0.080 -7.315 13.361 790 H SER 102 H SER 102 -0.546 -4.090 15.257 791 HA SER 102 HA SER 102 1.961 -3.650 16.496 792 HB2 SER 102 1HB SER 102 -0.098 -2.268 16.843 793 HB3 SER 102 2HB SER 102 -0.777 -3.594 17.782 794 HG SER 102 HG SER 102 1.751 -2.797 18.558 795 H PHE 103 H PHE 103 -0.039 -6.418 16.352 796 HA PHE 103 HA PHE 103 0.722 -7.511 18.910 797 HB2 PHE 103 1HB PHE 103 -1.431 -8.040 17.725 798 HB3 PHE 103 2HB PHE 103 -0.499 -8.951 16.544 799 HD1 PHE 103 HD1 PHE 103 -1.186 -8.751 20.192 800 HD2 PHE 103 HD2 PHE 103 -0.089 -11.203 16.893 801 HE1 PHE 103 HE1 PHE 103 -1.349 -10.742 21.624 802 HE2 PHE 103 HE2 PHE 103 -0.249 -13.201 18.321 803 HZ PHE 103 HZ PHE 103 -0.880 -12.970 20.689 804 H GLY 104 H GLY 104 2.306 -7.170 15.971 805 HA2 GLY 104 1HA GLY 104 4.636 -7.745 15.860 806 HA3 GLY 104 2HA GLY 104 4.291 -9.172 16.826 807 H GLN 105 H GLN 105 1.946 -8.677 14.487 808 HA GLN 105 HA GLN 105 3.163 -10.714 12.760 809 HB2 GLN 105 1HB GLN 105 0.315 -9.859 13.232 810 HB3 GLN 105 2HB GLN 105 0.767 -10.840 11.846 811 HG2 GLN 105 1HG GLN 105 1.404 -11.642 14.663 812 HG3 GLN 105 2HG GLN 105 -0.118 -12.051 13.876 813 HE21 GLN 105 2HE2 GLN 105 -0.121 -13.482 12.154 814 HE22 GLN 105 1HE2 GLN 105 1.201 -14.553 11.843 815 H LEU 106 H LEU 106 3.902 -10.130 10.798 816 HA LEU 106 HA LEU 106 2.757 -7.686 9.622 817 HB2 LEU 106 1HB LEU 106 4.864 -7.049 8.716 818 HB3 LEU 106 2HB LEU 106 5.077 -7.333 10.429 819 HG LEU 106 HG LEU 106 5.823 -9.746 9.459 820 HD11 LEU 106 1HD1 LEU 106 7.224 -9.400 7.494 821 HD12 LEU 106 2HD1 LEU 106 6.644 -7.739 7.372 822 HD13 LEU 106 3HD1 LEU 106 5.525 -9.081 7.138 823 HD21 LEU 106 3HD2 LEU 106 7.573 -7.305 9.702 824 HD22 LEU 106 1HD2 LEU 106 8.115 -8.983 9.776 825 HD23 LEU 106 2HD2 LEU 106 7.058 -8.340 11.033 826 H GLN 107 H GLN 107 2.116 -7.762 7.566 827 HA GLN 107 HA GLN 107 2.300 -10.383 6.233 828 HB2 GLN 107 1HB GLN 107 0.029 -9.752 6.905 829 HB3 GLN 107 2HB GLN 107 0.179 -8.240 6.021 830 HG2 GLN 107 1HG GLN 107 0.369 -9.485 3.927 831 HG3 GLN 107 2HG GLN 107 0.208 -10.998 4.815 832 HE21 GLN 107 2HE2 GLN 107 -1.559 -8.112 5.642 833 HE22 GLN 107 1HE2 GLN 107 -3.113 -8.688 5.158 834 H GLN 108 H GLN 108 3.593 -10.420 4.549 835 HA GLN 108 HA GLN 108 4.281 -7.967 3.141 836 HB2 GLN 108 1HB GLN 108 6.026 -9.603 3.779 837 HB3 GLN 108 2HB GLN 108 5.254 -10.803 2.754 838 HG2 GLN 108 1HG GLN 108 5.672 -9.333 0.801 839 HG3 GLN 108 2HG GLN 108 6.560 -8.242 1.866 840 HE21 GLN 108 2HE2 GLN 108 7.517 -9.702 -0.451 841 HE22 GLN 108 1HE2 GLN 108 8.795 -10.727 0.113 842 H LEU 109 H LEU 109 2.804 -7.335 1.691 843 HA LEU 109 HA LEU 109 1.588 -9.351 -0.059 844 HB2 LEU 109 1HB LEU 109 0.855 -6.489 0.533 845 HB3 LEU 109 2HB LEU 109 0.149 -7.385 -0.798 846 HG LEU 109 HG LEU 109 -0.066 -8.159 2.114 847 HD11 LEU 109 1HD1 LEU 109 -2.422 -7.518 1.862 848 HD12 LEU 109 2HD1 LEU 109 -2.078 -6.929 0.235 849 HD13 LEU 109 3HD1 LEU 109 -1.337 -6.148 1.630 850 HD21 LEU 109 3HD2 LEU 109 -0.105 -10.067 0.558 851 HD22 LEU 109 1HD2 LEU 109 -1.421 -9.297 -0.327 852 HD23 LEU 109 2HD2 LEU 109 -1.665 -9.811 1.342 853 H THR 110 H THR 110 2.556 -9.708 -1.900 854 HA THR 110 HA THR 110 4.429 -7.746 -2.964 855 HB THR 110 HB THR 110 3.882 -10.545 -3.966 856 HG1 THR 110 HG1 THR 110 5.945 -9.661 -2.187 857 HG21 THR 110 3HG2 THR 110 6.082 -10.358 -4.994 858 HG22 THR 110 1HG2 THR 110 6.280 -8.741 -4.318 859 HG23 THR 110 2HG2 THR 110 5.046 -9.039 -5.542 860 H PHE 111 H PHE 111 3.811 -6.373 -4.495 861 HA PHE 111 HA PHE 111 1.516 -7.098 -6.186 862 HB2 PHE 111 1HB PHE 111 2.722 -4.402 -5.541 863 HB3 PHE 111 2HB PHE 111 1.443 -4.644 -6.726 864 HD1 PHE 111 HD2 PHE 111 -0.797 -5.295 -6.017 865 HD2 PHE 111 HD1 PHE 111 2.281 -4.471 -3.193 866 HE1 PHE 111 HE2 PHE 111 -2.485 -5.091 -4.245 867 HE2 PHE 111 HE1 PHE 111 0.594 -4.267 -1.412 868 HZ PHE 111 HZ PHE 111 -1.791 -4.576 -1.939 869 H SER 112 H SER 112 2.007 -7.835 -8.117 870 HA SER 112 HA SER 112 4.253 -6.623 -9.575 871 HB2 SER 112 1HB SER 112 3.400 -9.513 -9.851 872 HB3 SER 112 2HB SER 112 4.835 -8.743 -10.530 873 HG SER 112 HG SER 112 4.866 -10.070 -8.405 874 H PHE 113 H PHE 113 3.353 -5.432 -11.119 875 HA PHE 113 HA PHE 113 0.754 -6.193 -12.212 876 HB2 PHE 113 1HB PHE 113 2.395 -3.672 -12.538 877 HB3 PHE 113 2HB PHE 113 0.817 -3.934 -13.264 878 HD1 PHE 113 HD1 PHE 113 2.307 -4.291 -9.842 879 HD2 PHE 113 HD2 PHE 113 -0.869 -2.791 -12.245 880 HE1 PHE 113 HE1 PHE 113 1.255 -3.326 -7.840 881 HE2 PHE 113 HE2 PHE 113 -1.928 -1.830 -10.245 882 HZ PHE 113 HZ PHE 113 -0.864 -2.090 -8.038 883 H ASN 114 H ASN 114 0.701 -7.391 -14.005 884 HA ASN 114 HA ASN 114 3.010 -7.476 -15.749 885 HB2 ASN 114 1HB ASN 114 1.740 -9.546 -15.259 886 HB3 ASN 114 2HB ASN 114 0.338 -8.856 -16.073 887 HD21 ASN 114 2HD2 ASN 114 0.433 -10.694 -17.488 888 HD22 ASN 114 1HD2 ASN 114 1.569 -10.723 -18.801 889 H ASN 115 H ASN 115 3.057 -5.352 -16.420 890 HA ASN 115 HA ASN 115 0.866 -4.072 -17.725 891 HB2 ASN 115 1HB ASN 115 2.679 -2.875 -16.504 892 HB3 ASN 115 2HB ASN 115 3.810 -3.359 -17.759 893 HD21 ASN 115 2HD2 ASN 115 4.259 -1.158 -18.098 894 HD22 ASN 115 1HD2 ASN 115 3.181 -0.146 -19.001 895 H ASP 116 H ASP 116 2.885 -6.517 -18.687 896 HA ASP 116 HA ASP 116 3.256 -5.826 -21.436 897 HB2 ASP 116 1HB ASP 116 4.706 -7.462 -20.269 898 HB3 ASP 116 2HB ASP 116 3.332 -8.548 -20.110 899 H SER 117 H SER 117 0.673 -7.029 -19.570 900 HA SER 117 HA SER 117 -1.431 -7.738 -20.023 901 HB2 SER 117 1HB SER 117 -0.872 -6.391 -22.681 902 HB3 SER 117 2HB SER 117 -2.466 -6.909 -22.129 903 HG SER 117 HG SER 117 -1.607 -4.600 -21.741 904 H SER 118 H SER 118 0.528 -9.648 -20.307 905 HA SER 118 HA SER 118 0.279 -11.152 -22.709 906 HB2 SER 118 1HB SER 118 0.983 -12.447 -20.109 907 HB3 SER 118 2HB SER 118 1.743 -12.626 -21.692 908 HG SER 118 HG SER 118 2.627 -10.508 -21.412 909 H LYS 119 H LYS 119 -1.606 -12.091 -23.318 910 HA LYS 119 HA LYS 119 -3.636 -12.701 -21.367 911 HB2 LYS 119 1HB LYS 119 -4.997 -13.412 -23.260 912 HB3 LYS 119 2HB LYS 119 -4.265 -11.846 -23.575 913 HG2 LYS 119 1HG LYS 119 -2.652 -12.821 -25.048 914 HG3 LYS 119 2HG LYS 119 -3.169 -14.450 -24.609 915 HD2 LYS 119 1HD LYS 119 -5.382 -13.999 -25.565 916 HD3 LYS 119 2HD LYS 119 -4.846 -12.382 -26.027 917 HE2 LYS 119 1HE LYS 119 -3.192 -13.309 -27.516 918 HE3 LYS 119 2HE LYS 119 -3.564 -14.944 -26.968 919 HZ1 LYS 119 3HZ LYS 119 -5.793 -14.692 -27.890 920 HZ2 LYS 119 1HZ LYS 119 -4.605 -14.486 -29.080 921 HZ3 LYS 119 2HZ LYS 119 -5.410 -13.137 -28.440 922 H GLU 120 H GLU 120 -1.038 -14.383 -22.787 923 HA GLU 120 HA GLU 120 -2.118 -17.020 -22.524 924 HB2 GLU 120 1HB GLU 120 0.728 -16.058 -22.833 925 HB3 GLU 120 2HB GLU 120 0.239 -17.746 -22.863 926 HG2 GLU 120 1HG GLU 120 -0.607 -15.613 -24.808 927 HG3 GLU 120 2HG GLU 120 0.563 -16.897 -25.107 928 H GLU 121 H GLU 121 -1.394 -18.626 -21.035 929 HA GLU 121 HA GLU 121 -1.335 -17.544 -18.353 930 HB2 GLU 121 1HB GLU 121 -1.532 -20.384 -19.369 931 HB3 GLU 121 2HB GLU 121 -1.660 -19.913 -17.679 932 HG2 GLU 121 1HG GLU 121 -3.655 -18.671 -18.102 933 HG3 GLU 121 2HG GLU 121 -3.490 -18.905 -19.841 934 H GLU 122 H GLU 122 0.683 -16.767 -17.930 935 HA GLU 122 HA GLU 122 2.751 -18.776 -17.550 936 HB2 GLU 122 1HB GLU 122 3.203 -17.913 -19.796 937 HB3 GLU 122 2HB GLU 122 3.220 -16.269 -19.173 938 HG2 GLU 122 1HG GLU 122 5.474 -17.030 -19.502 939 HG3 GLU 122 2HG GLU 122 5.164 -16.842 -17.776 940 H LEU 123 H LEU 123 2.488 -15.203 -17.484 941 HA LEU 123 HA LEU 123 4.185 -15.074 -15.191 942 HB2 LEU 123 1HB LEU 123 2.538 -12.933 -16.528 943 HB3 LEU 123 2HB LEU 123 3.704 -12.642 -15.250 944 HG LEU 123 HG LEU 123 4.324 -13.736 -17.997 945 HD11 LEU 123 1HD1 LEU 123 3.789 -11.368 -18.017 946 HD12 LEU 123 2HD1 LEU 123 5.511 -11.621 -18.302 947 HD13 LEU 123 3HD1 LEU 123 4.948 -11.081 -16.721 948 HD21 LEU 123 3HD2 LEU 123 6.673 -13.540 -17.314 949 HD22 LEU 123 1HD2 LEU 123 5.795 -14.703 -16.320 950 HD23 LEU 123 2HD2 LEU 123 6.156 -13.097 -15.687 951 H GLU 124 H GLU 124 3.143 -16.348 -13.733 952 HA GLU 124 HA GLU 124 1.760 -15.144 -11.684 953 HB2 GLU 124 1HB GLU 124 -0.160 -15.110 -13.319 954 HB3 GLU 124 2HB GLU 124 -0.099 -16.866 -13.350 955 HG2 GLU 124 1HG GLU 124 -1.858 -16.107 -11.882 956 HG3 GLU 124 2HG GLU 124 -0.599 -16.925 -10.957 957 H HIS 125 H HIS 125 2.724 -17.881 -13.518 958 HA HIS 125 HA HIS 125 2.362 -20.011 -11.797 959 HB2 HIS 125 1HB HIS 125 4.666 -19.401 -13.659 960 HB3 HIS 125 2HB HIS 125 4.505 -20.928 -12.800 961 HD1 HIS 125 HD1 HIS 125 4.164 -19.965 -16.039 962 HD2 HIS 125 HD2 HIS 125 1.422 -21.645 -13.385 963 HE1 HIS 125 HE1 HIS 125 2.417 -21.082 -17.468 964 HE2 HIS 125 HE2 HIS 125 0.726 -22.020 -15.846 965 H HIS 126 H HIS 126 3.281 -20.720 -9.964 966 HA HIS 126 HA HIS 126 4.565 -18.844 -8.292 967 HB2 HIS 126 1HB HIS 126 3.133 -20.765 -7.521 968 HB3 HIS 126 2HB HIS 126 4.471 -21.843 -7.900 969 HD1 HIS 126 HD1 HIS 126 3.685 -18.900 -5.638 970 HD2 HIS 126 HD2 HIS 126 6.302 -22.128 -5.891 971 HE1 HIS 126 HE1 HIS 126 4.956 -18.920 -3.463 972 HE2 HIS 126 HE2 HIS 126 6.592 -20.822 -3.667 973 H HIS 127 H HIS 127 6.543 -18.141 -8.541 974 HA HIS 127 HA HIS 127 8.584 -19.659 -9.884 975 HB2 HIS 127 1HB HIS 127 8.182 -17.038 -9.702 976 HB3 HIS 127 2HB HIS 127 9.197 -17.206 -8.275 977 HD1 HIS 127 HD1 HIS 127 11.619 -16.840 -8.747 978 HD2 HIS 127 HD2 HIS 127 9.564 -18.270 -12.075 979 HE1 HIS 127 HE1 HIS 127 13.304 -16.933 -10.607 980 HE2 HIS 127 HE2 HIS 127 11.984 -17.576 -12.651 981 H HIS 128 H HIS 128 10.793 -19.887 -8.792 982 HA HIS 128 HA HIS 128 10.606 -21.403 -6.413 983 HB2 HIS 128 1HB HIS 128 13.048 -20.092 -7.629 984 HB3 HIS 128 2HB HIS 128 13.064 -21.374 -6.426 985 HD1 HIS 128 HD1 HIS 128 13.766 -21.025 -9.772 986 HD2 HIS 128 HD2 HIS 128 11.296 -23.658 -7.700 987 HE1 HIS 128 HE1 HIS 128 13.462 -23.012 -11.289 988 HE2 HIS 128 HE2 HIS 128 12.145 -24.675 -9.926 989 H HIS 129 H HIS 129 12.499 -20.654 -4.643 990 HA HIS 129 HA HIS 129 11.262 -18.513 -3.236 991 HB2 HIS 129 1HB HIS 129 13.945 -19.846 -2.779 992 HB3 HIS 129 2HB HIS 129 13.203 -18.692 -1.675 993 HD1 HIS 129 HD1 HIS 129 13.865 -21.548 -0.743 994 HD2 HIS 129 HD2 HIS 129 10.165 -20.375 -2.240 995 HE1 HIS 129 HE1 HIS 129 12.210 -23.208 0.161 996 HE2 HIS 129 HE2 HIS 129 10.018 -22.599 -0.920 997 H HIS 130 H HIS 130 13.851 -18.761 -5.496 998 HA HIS 130 HA HIS 130 14.079 -15.827 -5.478 999 HB2 HIS 130 1HB HIS 130 16.247 -16.935 -5.037 1000 HB3 HIS 130 2HB HIS 130 16.075 -17.862 -6.523 1001 HD1 HIS 130 HD1 HIS 130 16.276 -16.498 -8.786 1002 HD2 HIS 130 HD2 HIS 130 17.239 -14.376 -5.342 1003 HE1 HIS 130 HE1 HIS 130 17.513 -14.457 -9.574 1004 HE2 HIS 130 HE2 HIS 130 17.929 -13.102 -7.489 Start of MODEL 20 1 H1 MET 1 1H MET 1 -27.084 -0.485 0.101 2 H2 MET 1 2H MET 1 -27.293 -2.117 0.517 3 H3 MET 1 3H MET 1 -25.762 -1.402 0.631 4 HA MET 1 HA MET 1 -26.459 0.017 2.393 5 HB2 MET 1 1HB MET 1 -28.766 0.377 1.695 6 HB3 MET 1 2HB MET 1 -29.154 -1.307 2.015 7 HG2 MET 1 1HG MET 1 -28.670 -0.940 4.403 8 HG3 MET 1 2HG MET 1 -28.359 0.760 4.058 9 HE1 MET 1 3HE MET 1 -30.464 -0.365 6.236 10 HE2 MET 1 1HE MET 1 -31.786 0.777 5.987 11 HE3 MET 1 2HE MET 1 -30.116 1.345 5.981 12 H ASN 2 H ASN 2 -25.786 -0.666 4.308 13 HA ASN 2 HA ASN 2 -26.398 -3.423 5.126 14 HB2 ASN 2 1HB ASN 2 -24.049 -3.294 4.334 15 HB3 ASN 2 2HB ASN 2 -23.743 -2.010 5.497 16 HD21 ASN 2 2HD2 ASN 2 -22.104 -3.259 6.421 17 HD22 ASN 2 1HD2 ASN 2 -22.470 -4.583 7.476 18 H ASP 3 H ASP 3 -26.951 -3.629 7.282 19 HA ASP 3 HA ASP 3 -27.974 -1.329 8.549 20 HB2 ASP 3 1HB ASP 3 -27.522 -4.137 9.566 21 HB3 ASP 3 2HB ASP 3 -28.285 -2.879 10.536 22 H ASP 4 H ASP 4 -27.356 -0.371 10.560 23 HA ASP 4 HA ASP 4 -24.703 0.506 10.388 24 HB2 ASP 4 1HB ASP 4 -26.643 0.838 12.678 25 HB3 ASP 4 2HB ASP 4 -25.145 1.739 12.482 26 H VAL 5 H VAL 5 -22.988 -0.653 10.828 27 HA VAL 5 HA VAL 5 -22.928 -2.564 12.992 28 HB VAL 5 HB VAL 5 -20.555 -2.893 12.351 29 HG11 VAL 5 1HG1 VAL 5 -22.276 -4.232 11.286 30 HG12 VAL 5 2HG1 VAL 5 -20.989 -3.866 10.136 31 HG13 VAL 5 3HG1 VAL 5 -22.517 -2.986 10.061 32 HG21 VAL 5 3HG2 VAL 5 -19.690 -1.797 10.326 33 HG22 VAL 5 1HG2 VAL 5 -20.029 -0.635 11.611 34 HG23 VAL 5 2HG2 VAL 5 -21.144 -0.801 10.253 35 H ASP 6 H ASP 6 -21.269 -2.441 14.692 36 HA ASP 6 HA ASP 6 -20.663 0.338 15.441 37 HB2 ASP 6 1HB ASP 6 -22.684 -0.340 16.649 38 HB3 ASP 6 2HB ASP 6 -21.858 -1.771 17.256 39 H ILE 7 H ILE 7 -18.544 -0.189 14.672 40 HA ILE 7 HA ILE 7 -16.347 -0.537 15.067 41 HB ILE 7 HB ILE 7 -17.235 -1.076 17.899 42 HG12 ILE 7 1HG1 ILE 7 -17.804 1.171 17.158 43 HG13 ILE 7 2HG1 ILE 7 -16.458 1.250 18.291 44 HG21 ILE 7 1HG2 ILE 7 -14.469 -0.491 16.846 45 HG22 ILE 7 2HG2 ILE 7 -15.037 -2.053 17.435 46 HG23 ILE 7 3HG2 ILE 7 -14.919 -0.685 18.543 47 HD11 ILE 7 3HD1 ILE 7 -16.138 2.770 16.428 48 HD12 ILE 7 1HD1 ILE 7 -16.252 1.428 15.291 49 HD13 ILE 7 2HD1 ILE 7 -14.904 1.511 16.426 50 H GLN 8 H GLN 8 -15.440 -2.195 14.096 51 HA GLN 8 HA GLN 8 -16.377 -4.896 14.601 52 HB2 GLN 8 1HB GLN 8 -14.955 -5.532 12.731 53 HB3 GLN 8 2HB GLN 8 -15.929 -4.134 12.295 54 HG2 GLN 8 1HG GLN 8 -14.030 -2.672 12.685 55 HG3 GLN 8 2HG GLN 8 -13.049 -4.058 13.159 56 HE21 GLN 8 2HE2 GLN 8 -12.604 -2.155 11.028 57 HE22 GLN 8 1HE2 GLN 8 -12.530 -3.084 9.562 58 H GLN 9 H GLN 9 -14.205 -2.875 15.993 59 HA GLN 9 HA GLN 9 -12.458 -3.062 17.416 60 HB2 GLN 9 1HB GLN 9 -13.497 -5.885 17.635 61 HB3 GLN 9 2HB GLN 9 -12.235 -5.224 18.662 62 HG2 GLN 9 1HG GLN 9 -13.776 -3.566 19.530 63 HG3 GLN 9 2HG GLN 9 -15.041 -4.155 18.451 64 HE21 GLN 9 2HE2 GLN 9 -14.944 -4.001 21.381 65 HE22 GLN 9 1HE2 GLN 9 -15.231 -5.618 21.939 66 H SER 10 H SER 10 -11.200 -2.740 15.413 67 HA SER 10 HA SER 10 -9.810 -5.038 14.381 68 HB2 SER 10 1HB SER 10 -9.457 -2.082 13.853 69 HB3 SER 10 2HB SER 10 -8.612 -3.368 12.988 70 HG SER 10 HG SER 10 -11.033 -2.371 12.503 71 H TYR 11 H TYR 11 -8.355 -5.961 15.628 72 HA TYR 11 HA TYR 11 -6.297 -4.239 16.802 73 HB2 TYR 11 1HB TYR 11 -7.269 -6.880 17.900 74 HB3 TYR 11 2HB TYR 11 -5.898 -5.981 18.525 75 HD1 TYR 11 HD2 TYR 11 -6.254 -3.895 19.772 76 HD2 TYR 11 HD1 TYR 11 -9.532 -6.200 18.343 77 HE1 TYR 11 HE2 TYR 11 -7.763 -2.669 21.280 78 HE2 TYR 11 HE1 TYR 11 -11.050 -4.984 19.846 79 HH TYR 11 HH TYR 11 -10.132 -2.134 21.502 80 HA PRO 12 HA PRO 12 -3.852 -7.844 14.967 81 HB2 PRO 12 1HB PRO 12 -4.976 -10.080 14.071 82 HB3 PRO 12 2HB PRO 12 -4.750 -9.813 15.807 83 HG2 PRO 12 1HG PRO 12 -7.223 -9.448 14.144 84 HG3 PRO 12 2HG PRO 12 -7.044 -10.247 15.719 85 HD2 PRO 12 1HD PRO 12 -7.920 -7.677 15.418 86 HD3 PRO 12 2HD PRO 12 -7.078 -8.276 16.860 87 H PHE 13 H PHE 13 -3.149 -8.339 12.782 88 HA PHE 13 HA PHE 13 -4.456 -6.632 10.880 89 HB2 PHE 13 1HB PHE 13 -1.885 -7.859 11.153 90 HB3 PHE 13 2HB PHE 13 -2.517 -8.199 9.545 91 HD1 PHE 13 HD2 PHE 13 -3.906 -5.897 8.704 92 HD2 PHE 13 HD1 PHE 13 -0.403 -6.129 11.105 93 HE1 PHE 13 HE2 PHE 13 -3.258 -3.640 7.974 94 HE2 PHE 13 HE1 PHE 13 0.247 -3.872 10.383 95 HZ PHE 13 HZ PHE 13 -1.179 -2.622 8.816 96 H SER 14 H SER 14 -5.815 -7.089 9.312 97 HA SER 14 HA SER 14 -5.597 -9.419 7.712 98 HB2 SER 14 1HB SER 14 -7.007 -10.290 9.638 99 HB3 SER 14 2HB SER 14 -8.241 -9.123 9.166 100 HG SER 14 HG SER 14 -8.122 -11.489 8.282 101 H ILE 15 H ILE 15 -5.687 -8.402 5.793 102 HA ILE 15 HA ILE 15 -7.733 -6.321 5.425 103 HB ILE 15 HB ILE 15 -4.839 -6.169 4.566 104 HG12 ILE 15 1HG1 ILE 15 -6.515 -4.504 6.456 105 HG13 ILE 15 2HG1 ILE 15 -5.162 -5.547 6.883 106 HG21 ILE 15 1HG2 ILE 15 -7.096 -4.269 3.932 107 HG22 ILE 15 2HG2 ILE 15 -6.286 -5.333 2.785 108 HG23 ILE 15 3HG2 ILE 15 -5.393 -4.017 3.546 109 HD11 ILE 15 3HD1 ILE 15 -3.641 -4.082 5.673 110 HD12 ILE 15 1HD1 ILE 15 -4.533 -3.200 6.915 111 HD13 ILE 15 2HD1 ILE 15 -4.996 -3.047 5.220 112 H GLU 16 H GLU 16 -8.915 -6.533 3.634 113 HA GLU 16 HA GLU 16 -7.908 -8.297 1.515 114 HB2 GLU 16 1HB GLU 16 -10.482 -7.989 2.645 115 HB3 GLU 16 2HB GLU 16 -10.573 -7.355 1.006 116 HG2 GLU 16 1HG GLU 16 -9.581 -10.080 1.796 117 HG3 GLU 16 2HG GLU 16 -11.145 -9.715 1.074 118 H THR 17 H THR 17 -7.530 -7.539 -0.489 119 HA THR 17 HA THR 17 -7.625 -4.607 -0.759 120 HB THR 17 HB THR 17 -5.535 -4.841 -2.133 121 HG1 THR 17 HG1 THR 17 -5.833 -7.163 -2.462 122 HG21 THR 17 3HG2 THR 17 -4.039 -5.085 -0.199 123 HG22 THR 17 1HG2 THR 17 -5.372 -5.760 0.740 124 HG23 THR 17 2HG2 THR 17 -5.441 -4.085 0.189 125 H MET 18 H MET 18 -8.718 -3.872 -2.444 126 HA MET 18 HA MET 18 -9.699 -5.590 -4.504 127 HB2 MET 18 1HB MET 18 -9.710 -2.594 -4.147 128 HB3 MET 18 2HB MET 18 -10.364 -3.365 -5.583 129 HG2 MET 18 1HG MET 18 -12.159 -2.888 -4.087 130 HG3 MET 18 2HG MET 18 -11.924 -4.633 -4.139 131 HE1 MET 18 3HE MET 18 -13.671 -3.214 -1.914 132 HE2 MET 18 1HE MET 18 -13.121 -4.051 -0.461 133 HE3 MET 18 2HE MET 18 -13.385 -4.955 -1.952 134 HA PRO 19 HA PRO 19 -6.063 -5.773 -6.980 135 HB2 PRO 19 1HB PRO 19 -7.969 -6.157 -9.221 136 HB3 PRO 19 2HB PRO 19 -6.639 -7.187 -8.684 137 HG2 PRO 19 1HG PRO 19 -9.173 -7.868 -8.212 138 HG3 PRO 19 2HG PRO 19 -7.905 -8.171 -7.008 139 HD2 PRO 19 1HD PRO 19 -9.980 -6.016 -7.075 140 HD3 PRO 19 2HD PRO 19 -9.366 -6.949 -5.695 141 H VAL 20 H VAL 20 -4.894 -4.520 -8.347 142 HA VAL 20 HA VAL 20 -6.050 -1.933 -9.062 143 HB VAL 20 HB VAL 20 -3.689 -1.231 -9.399 144 HG11 VAL 20 1HG1 VAL 20 -3.034 -1.276 -7.037 145 HG12 VAL 20 2HG1 VAL 20 -4.242 -2.522 -6.730 146 HG13 VAL 20 3HG1 VAL 20 -4.747 -0.908 -7.227 147 HG21 VAL 20 3HG2 VAL 20 -3.059 -4.029 -8.460 148 HG22 VAL 20 1HG2 VAL 20 -1.883 -2.727 -8.630 149 HG23 VAL 20 2HG2 VAL 20 -2.716 -3.352 -10.052 150 HA PRO 21 HA PRO 21 -5.866 -2.502 -13.500 151 HB2 PRO 21 1HB PRO 21 -3.947 -0.247 -13.677 152 HB3 PRO 21 2HB PRO 21 -5.506 -0.463 -14.481 153 HG2 PRO 21 1HG PRO 21 -5.219 1.253 -12.451 154 HG3 PRO 21 2HG PRO 21 -6.702 0.303 -12.657 155 HD2 PRO 21 1HD PRO 21 -4.447 -0.085 -10.737 156 HD3 PRO 21 2HD PRO 21 -6.188 -0.341 -10.501 157 H LYS 22 H LYS 22 -4.617 -3.628 -14.928 158 HA LYS 22 HA LYS 22 -2.229 -4.811 -13.915 159 HB2 LYS 22 1HB LYS 22 -3.389 -4.982 -16.701 160 HB3 LYS 22 2HB LYS 22 -2.189 -6.061 -16.008 161 HG2 LYS 22 1HG LYS 22 -3.845 -6.805 -14.348 162 HG3 LYS 22 2HG LYS 22 -5.045 -5.753 -15.101 163 HD2 LYS 22 1HD LYS 22 -4.732 -6.993 -17.221 164 HD3 LYS 22 2HD LYS 22 -3.629 -8.087 -16.384 165 HE2 LYS 22 1HE LYS 22 -6.544 -7.646 -15.740 166 HE3 LYS 22 2HE LYS 22 -5.862 -9.057 -16.545 167 HZ1 LYS 22 3HZ LYS 22 -6.235 -9.550 -14.242 168 HZ2 LYS 22 1HZ LYS 22 -5.357 -8.186 -13.751 169 HZ3 LYS 22 2HZ LYS 22 -4.559 -9.479 -14.508 170 H LYS 23 H LYS 23 -2.936 -2.590 -16.597 171 HA LYS 23 HA LYS 23 -0.053 -2.028 -16.752 172 HB2 LYS 23 1HB LYS 23 -0.421 -1.242 -19.011 173 HB3 LYS 23 2HB LYS 23 -1.073 -2.863 -18.838 174 HG2 LYS 23 1HG LYS 23 -3.329 -1.781 -18.486 175 HG3 LYS 23 2HG LYS 23 -2.580 -0.270 -19.002 176 HD2 LYS 23 1HD LYS 23 -3.621 -1.261 -20.913 177 HD3 LYS 23 2HD LYS 23 -1.873 -1.434 -21.103 178 HE2 LYS 23 1HE LYS 23 -2.947 -3.505 -21.714 179 HE3 LYS 23 2HE LYS 23 -2.052 -3.737 -20.212 180 HZ1 LYS 23 3HZ LYS 23 -4.253 -3.275 -19.069 181 HZ2 LYS 23 1HZ LYS 23 -4.111 -4.761 -19.874 182 HZ3 LYS 23 2HZ LYS 23 -4.975 -3.490 -20.587 183 H LEU 24 H LEU 24 0.698 0.010 -16.477 184 HA LEU 24 HA LEU 24 -1.248 2.158 -16.028 185 HB2 LEU 24 1HB LEU 24 1.078 1.423 -14.248 186 HB3 LEU 24 2HB LEU 24 0.199 2.934 -14.127 187 HG LEU 24 HG LEU 24 -1.054 0.212 -13.748 188 HD11 LEU 24 1HD1 LEU 24 0.562 0.633 -11.988 189 HD12 LEU 24 2HD1 LEU 24 -1.080 0.780 -11.361 190 HD13 LEU 24 3HD1 LEU 24 -0.135 2.228 -11.704 191 HD21 LEU 24 3HD2 LEU 24 -2.607 1.948 -14.496 192 HD22 LEU 24 1HD2 LEU 24 -2.084 2.986 -13.167 193 HD23 LEU 24 2HD2 LEU 24 -2.923 1.472 -12.826 194 H LYS 25 H LYS 25 -0.423 4.275 -16.392 195 HA LYS 25 HA LYS 25 1.949 4.298 -18.139 196 HB2 LYS 25 1HB LYS 25 -0.392 6.215 -18.088 197 HB3 LYS 25 2HB LYS 25 0.968 6.282 -19.199 198 HG2 LYS 25 1HG LYS 25 -1.026 4.029 -19.035 199 HG3 LYS 25 2HG LYS 25 -1.050 5.329 -20.227 200 HD2 LYS 25 1HD LYS 25 1.131 4.618 -21.060 201 HD3 LYS 25 2HD LYS 25 1.189 3.342 -19.842 202 HE2 LYS 25 1HE LYS 25 -0.809 2.319 -20.831 203 HE3 LYS 25 2HE LYS 25 -0.852 3.589 -22.053 204 HZ1 LYS 25 3HZ LYS 25 1.365 1.646 -21.673 205 HZ2 LYS 25 1HZ LYS 25 1.287 2.844 -22.870 206 HZ3 LYS 25 2HZ LYS 25 0.181 1.558 -22.880 207 H VAL 26 H VAL 26 3.244 6.304 -18.081 208 HA VAL 26 HA VAL 26 3.858 7.107 -15.437 209 HB VAL 26 HB VAL 26 4.631 8.474 -18.023 210 HG11 VAL 26 1HG1 VAL 26 5.796 8.687 -15.247 211 HG12 VAL 26 2HG1 VAL 26 4.939 9.954 -16.127 212 HG13 VAL 26 3HG1 VAL 26 6.508 9.386 -16.701 213 HG21 VAL 26 3HG2 VAL 26 6.081 6.385 -16.402 214 HG22 VAL 26 1HG2 VAL 26 6.730 7.222 -17.812 215 HG23 VAL 26 2HG2 VAL 26 5.342 6.149 -17.985 216 H GLY 27 H GLY 27 2.619 8.319 -14.196 217 HA2 GLY 27 1HA GLY 27 1.710 10.515 -13.723 218 HA3 GLY 27 2HA GLY 27 1.219 10.618 -15.407 219 H GLU 28 H GLU 28 0.624 7.531 -14.438 220 HA GLU 28 HA GLU 28 -2.211 8.073 -14.106 221 HB2 GLU 28 1HB GLU 28 -1.394 6.302 -15.655 222 HB3 GLU 28 2HB GLU 28 -0.750 5.427 -14.275 223 HG2 GLU 28 1HG GLU 28 -2.952 4.620 -15.161 224 HG3 GLU 28 2HG GLU 28 -2.896 4.968 -13.434 225 H THR 29 H THR 29 -3.447 6.990 -12.368 226 HA THR 29 HA THR 29 -1.848 6.697 -9.911 227 HB THR 29 HB THR 29 -4.575 7.990 -9.998 228 HG1 THR 29 HG1 THR 29 -2.263 9.017 -10.830 229 HG21 THR 29 3HG2 THR 29 -2.406 7.965 -7.892 230 HG22 THR 29 1HG2 THR 29 -3.899 7.027 -7.842 231 HG23 THR 29 2HG2 THR 29 -3.961 8.787 -7.765 232 H ALA 30 H ALA 30 -2.104 4.744 -9.074 233 HA ALA 30 HA ALA 30 -4.548 3.238 -9.681 234 HB1 ALA 30 3HB ALA 30 -1.921 2.276 -8.548 235 HB2 ALA 30 1HB ALA 30 -2.432 2.142 -10.230 236 HB3 ALA 30 2HB ALA 30 -3.300 1.262 -8.973 237 H GLU 31 H GLU 31 -6.106 3.375 -8.215 238 HA GLU 31 HA GLU 31 -5.505 4.040 -5.460 239 HB2 GLU 31 1HB GLU 31 -7.451 5.080 -6.534 240 HB3 GLU 31 2HB GLU 31 -8.155 3.494 -6.822 241 HG2 GLU 31 1HG GLU 31 -8.267 3.137 -4.383 242 HG3 GLU 31 2HG GLU 31 -7.649 4.769 -4.141 243 H ILE 32 H ILE 32 -4.598 2.356 -4.407 244 HA ILE 32 HA ILE 32 -5.672 -0.322 -4.652 245 HB ILE 32 HB ILE 32 -3.706 0.672 -2.583 246 HG12 ILE 32 1HG1 ILE 32 -3.097 -0.497 -5.311 247 HG13 ILE 32 2HG1 ILE 32 -2.930 1.203 -4.888 248 HG21 ILE 32 1HG2 ILE 32 -4.243 -2.073 -3.717 249 HG22 ILE 32 2HG2 ILE 32 -4.696 -1.499 -2.112 250 HG23 ILE 32 3HG2 ILE 32 -2.994 -1.678 -2.537 251 HD11 ILE 32 3HD1 ILE 32 -0.783 0.081 -4.850 252 HD12 ILE 32 1HD1 ILE 32 -1.392 -1.083 -3.673 253 HD13 ILE 32 2HD1 ILE 32 -1.232 0.616 -3.230 254 H ARG 33 H ARG 33 -7.717 -0.413 -3.882 255 HA ARG 33 HA ARG 33 -8.462 0.966 -1.460 256 HB2 ARG 33 1HB ARG 33 -9.944 0.573 -3.552 257 HB3 ARG 33 2HB ARG 33 -10.176 -1.046 -2.907 258 HG2 ARG 33 1HG ARG 33 -11.097 -0.107 -0.855 259 HG3 ARG 33 2HG ARG 33 -10.843 1.522 -1.480 260 HD2 ARG 33 1HD ARG 33 -12.320 0.808 -3.441 261 HD3 ARG 33 2HD ARG 33 -12.764 -0.579 -2.444 262 HE ARG 33 HE ARG 33 -13.058 2.025 -1.192 263 HH11 ARG 33 1HH1 ARG 33 -14.645 -0.572 -2.966 264 HH12 ARG 33 2HH1 ARG 33 -16.241 -0.061 -2.496 265 HH21 ARG 33 1HH2 ARG 33 -15.155 2.682 -0.603 266 HH22 ARG 33 2HH2 ARG 33 -16.530 1.770 -1.147 267 H CYS 34 H CYS 34 -8.021 0.150 0.468 268 HA CYS 34 HA CYS 34 -7.935 -2.784 0.751 269 HB2 CYS 34 1HB CYS 34 -6.281 -0.804 2.327 270 HB3 CYS 34 2HB CYS 34 -6.126 -2.559 2.316 271 HG CYS 34 HG CYS 34 -5.563 -0.685 -0.484 272 H GLN 35 H GLN 35 -9.359 -3.582 2.163 273 HA GLN 35 HA GLN 35 -10.311 -1.778 4.287 274 HB2 GLN 35 1HB GLN 35 -12.204 -2.380 2.944 275 HB3 GLN 35 2HB GLN 35 -11.745 -4.080 2.957 276 HG2 GLN 35 1HG GLN 35 -12.173 -4.195 5.350 277 HG3 GLN 35 2HG GLN 35 -12.600 -2.488 5.370 278 HE21 GLN 35 2HE2 GLN 35 -14.060 -2.550 2.898 279 HE22 GLN 35 1HE2 GLN 35 -15.534 -3.413 3.200 280 H LEU 36 H LEU 36 -9.527 -2.211 6.194 281 HA LEU 36 HA LEU 36 -8.564 -4.867 6.849 282 HB2 LEU 36 1HB LEU 36 -7.468 -2.667 7.555 283 HB3 LEU 36 2HB LEU 36 -8.796 -2.487 8.683 284 HG LEU 36 HG LEU 36 -7.154 -4.982 8.758 285 HD11 LEU 36 1HD1 LEU 36 -5.649 -3.870 10.365 286 HD12 LEU 36 2HD1 LEU 36 -6.404 -2.324 9.971 287 HD13 LEU 36 3HD1 LEU 36 -5.509 -3.208 8.735 288 HD21 LEU 36 3HD2 LEU 36 -7.713 -4.882 11.129 289 HD22 LEU 36 1HD2 LEU 36 -9.167 -4.843 10.129 290 HD23 LEU 36 2HD2 LEU 36 -8.564 -3.359 10.867 291 H HIS 37 H HIS 37 -9.824 -6.370 7.732 292 HA HIS 37 HA HIS 37 -12.342 -5.501 8.991 293 HB2 HIS 37 1HB HIS 37 -12.743 -6.236 6.653 294 HB3 HIS 37 2HB HIS 37 -12.051 -7.805 7.046 295 HD1 HIS 37 HD1 HIS 37 -13.818 -9.500 7.381 296 HD2 HIS 37 HD2 HIS 37 -15.045 -5.724 8.622 297 HE1 HIS 37 HE1 HIS 37 -16.158 -9.799 8.256 298 HE2 HIS 37 HE2 HIS 37 -16.799 -7.541 9.178 299 H ARG 38 H ARG 38 -12.082 -6.041 11.071 300 HA ARG 38 HA ARG 38 -11.059 -8.739 11.639 301 HB2 ARG 38 1HB ARG 38 -10.696 -6.224 13.246 302 HB3 ARG 38 2HB ARG 38 -10.362 -7.828 13.879 303 HG2 ARG 38 1HG ARG 38 -8.933 -6.311 11.740 304 HG3 ARG 38 2HG ARG 38 -8.288 -7.060 13.200 305 HD2 ARG 38 1HD ARG 38 -9.081 -8.326 10.607 306 HD3 ARG 38 2HD ARG 38 -7.573 -8.478 11.502 307 HE ARG 38 HE ARG 38 -10.087 -9.685 12.460 308 HH11 ARG 38 1HH1 ARG 38 -6.675 -9.917 11.731 309 HH12 ARG 38 2HH1 ARG 38 -6.552 -11.580 12.208 310 HH21 ARG 38 1HH2 ARG 38 -9.961 -11.877 13.057 311 HH22 ARG 38 2HH2 ARG 38 -8.431 -12.709 12.925 312 H ASP 39 H ASP 39 -11.626 -9.414 13.933 313 HA ASP 39 HA ASP 39 -14.547 -9.259 14.167 314 HB2 ASP 39 1HB ASP 39 -12.990 -11.393 15.548 315 HB3 ASP 39 2HB ASP 39 -14.555 -11.485 14.749 316 H GLY 40 H GLY 40 -11.519 -8.932 15.878 317 HA2 GLY 40 1HA GLY 40 -11.610 -7.304 17.766 318 HA3 GLY 40 2HA GLY 40 -12.994 -8.229 18.333 319 H ARG 41 H ARG 41 -12.394 -9.199 20.134 320 HA ARG 41 HA ARG 41 -11.512 -10.813 21.454 321 HB2 ARG 41 1HB ARG 41 -11.387 -12.049 19.188 322 HB3 ARG 41 2HB ARG 41 -9.671 -11.686 19.244 323 HG2 ARG 41 1HG ARG 41 -11.077 -13.132 21.467 324 HG3 ARG 41 2HG ARG 41 -10.406 -13.967 20.070 325 HD2 ARG 41 1HD ARG 41 -8.194 -12.927 20.616 326 HD3 ARG 41 2HD ARG 41 -8.916 -12.312 22.103 327 HE ARG 41 HE ARG 41 -9.334 -15.105 21.886 328 HH11 ARG 41 1HH1 ARG 41 -6.884 -12.737 22.690 329 HH12 ARG 41 2HH1 ARG 41 -5.928 -13.845 23.623 330 HH21 ARG 41 1HH2 ARG 41 -8.094 -16.569 23.124 331 HH22 ARG 41 2HH2 ARG 41 -6.620 -16.024 23.877 332 H PHE 42 H PHE 42 -8.767 -9.741 19.414 333 HA PHE 42 HA PHE 42 -6.910 -10.169 21.505 334 HB2 PHE 42 1HB PHE 42 -6.649 -8.729 18.871 335 HB3 PHE 42 2HB PHE 42 -5.299 -8.988 19.973 336 HD1 PHE 42 HD2 PHE 42 -4.447 -11.236 20.390 337 HD2 PHE 42 HD1 PHE 42 -7.557 -10.532 17.579 338 HE1 PHE 42 HE2 PHE 42 -4.084 -13.475 19.436 339 HE2 PHE 42 HE1 PHE 42 -7.205 -12.773 16.622 340 HZ PHE 42 HZ PHE 42 -5.465 -14.246 17.551 341 H GLU 43 H GLU 43 -5.361 -8.557 22.300 342 HA GLU 43 HA GLU 43 -6.813 -6.144 23.166 343 HB2 GLU 43 1HB GLU 43 -4.588 -7.630 24.567 344 HB3 GLU 43 2HB GLU 43 -5.469 -6.249 25.199 345 HG2 GLU 43 1HG GLU 43 -7.458 -7.520 25.427 346 HG3 GLU 43 2HG GLU 43 -6.765 -8.873 24.529 347 H GLU 44 H GLU 44 -5.986 -4.244 22.589 348 HA GLU 44 HA GLU 44 -4.572 -2.629 21.847 349 HB2 GLU 44 1HB GLU 44 -3.077 -4.060 23.995 350 HB3 GLU 44 2HB GLU 44 -2.293 -2.745 23.127 351 HG2 GLU 44 1HG GLU 44 -4.907 -2.554 24.605 352 HG3 GLU 44 2HG GLU 44 -3.343 -1.981 25.191 353 H THR 45 H THR 45 -4.413 -3.339 19.675 354 HA THR 45 HA THR 45 -1.683 -4.164 19.024 355 HB THR 45 HB THR 45 -4.070 -5.290 17.546 356 HG1 THR 45 HG1 THR 45 -2.881 -6.075 19.940 357 HG21 THR 45 3HG2 THR 45 -1.852 -5.241 16.395 358 HG22 THR 45 1HG2 THR 45 -2.465 -6.872 16.665 359 HG23 THR 45 2HG2 THR 45 -1.199 -6.226 17.704 360 H LYS 46 H LYS 46 -0.845 -2.551 17.883 361 HA LYS 46 HA LYS 46 -2.612 -0.852 16.286 362 HB2 LYS 46 1HB LYS 46 -0.012 -0.429 17.652 363 HB3 LYS 46 2HB LYS 46 -0.254 0.430 16.140 364 HG2 LYS 46 1HG LYS 46 -0.966 1.942 17.739 365 HG3 LYS 46 2HG LYS 46 -2.467 1.217 17.170 366 HD2 LYS 46 1HD LYS 46 -2.485 -0.268 19.122 367 HD3 LYS 46 2HD LYS 46 -0.984 0.466 19.693 368 HE2 LYS 46 1HE LYS 46 -2.211 2.684 19.648 369 HE3 LYS 46 2HE LYS 46 -3.688 1.757 19.400 370 HZ1 LYS 46 3HZ LYS 46 -3.401 2.287 21.719 371 HZ2 LYS 46 1HZ LYS 46 -1.868 1.567 21.744 372 HZ3 LYS 46 2HZ LYS 46 -3.250 0.615 21.513 373 H TYR 47 H TYR 47 -1.834 -0.095 14.188 374 HA TYR 47 HA TYR 47 -0.542 -2.301 12.728 375 HB2 TYR 47 1HB TYR 47 -2.455 -0.199 11.695 376 HB3 TYR 47 2HB TYR 47 -1.804 -1.550 10.775 377 HD1 TYR 47 HD1 TYR 47 -2.312 -3.921 11.762 378 HD2 TYR 47 HD2 TYR 47 -4.533 -0.414 12.690 379 HE1 TYR 47 HE1 TYR 47 -4.220 -5.315 12.427 380 HE2 TYR 47 HE2 TYR 47 -6.451 -1.801 13.361 381 HH TYR 47 HH TYR 47 -6.187 -5.207 13.765 382 H PHE 48 H PHE 48 1.268 -1.910 11.561 383 HA PHE 48 HA PHE 48 2.043 0.905 11.165 384 HB2 PHE 48 1HB PHE 48 3.844 -1.416 11.894 385 HB3 PHE 48 2HB PHE 48 4.406 0.199 11.475 386 HD1 PHE 48 HD1 PHE 48 3.514 2.136 12.929 387 HD2 PHE 48 HD2 PHE 48 3.406 -1.954 14.099 388 HE1 PHE 48 HE1 PHE 48 3.314 2.818 15.283 389 HE2 PHE 48 HE2 PHE 48 3.203 -1.276 16.458 390 HZ PHE 48 HZ PHE 48 3.155 1.113 17.049 391 H ILE 49 H ILE 49 2.799 1.466 9.202 392 HA ILE 49 HA ILE 49 2.886 -0.655 7.160 393 HB ILE 49 HB ILE 49 1.055 0.866 6.735 394 HG12 ILE 49 1HG1 ILE 49 3.370 1.451 4.872 395 HG13 ILE 49 2HG1 ILE 49 2.311 0.046 4.783 396 HG21 ILE 49 1HG2 ILE 49 3.085 3.091 6.803 397 HG22 ILE 49 2HG2 ILE 49 1.840 2.785 8.012 398 HG23 ILE 49 3HG2 ILE 49 1.385 3.260 6.374 399 HD11 ILE 49 3HD1 ILE 49 1.701 1.711 3.129 400 HD12 ILE 49 1HD1 ILE 49 1.482 2.912 4.400 401 HD13 ILE 49 2HD1 ILE 49 0.415 1.510 4.319 402 H ARG 50 H ARG 50 4.683 -0.917 6.018 403 HA ARG 50 HA ARG 50 6.563 1.234 5.582 404 HB2 ARG 50 1HB ARG 50 7.342 0.370 7.743 405 HB3 ARG 50 2HB ARG 50 7.382 -1.261 7.091 406 HG2 ARG 50 1HG ARG 50 9.065 -0.391 5.406 407 HG3 ARG 50 2HG ARG 50 9.164 1.055 6.413 408 HD2 ARG 50 1HD ARG 50 10.933 -0.521 6.983 409 HD3 ARG 50 2HD ARG 50 9.811 -0.327 8.329 410 HE ARG 50 HE ARG 50 8.799 -2.472 7.123 411 HH11 ARG 50 1HH1 ARG 50 12.116 -1.710 7.939 412 HH12 ARG 50 2HH1 ARG 50 12.569 -3.370 8.183 413 HH21 ARG 50 1HH2 ARG 50 9.412 -4.667 7.440 414 HH22 ARG 50 2HH2 ARG 50 11.045 -5.035 7.888 415 H TYR 51 H TYR 51 6.610 1.030 3.386 416 HA TYR 51 HA TYR 51 6.831 -1.695 2.316 417 HB2 TYR 51 1HB TYR 51 5.849 -0.980 0.308 418 HB3 TYR 51 2HB TYR 51 4.917 -0.184 1.565 419 HD1 TYR 51 HD2 TYR 51 5.178 2.262 1.930 420 HD2 TYR 51 HD1 TYR 51 7.105 0.257 -1.289 421 HE1 TYR 51 HE2 TYR 51 5.528 4.418 0.800 422 HE2 TYR 51 HE1 TYR 51 7.453 2.404 -2.429 423 HH TYR 51 HH TYR 51 6.799 5.446 -0.869 424 H PHE 52 H PHE 52 8.224 -2.017 0.449 425 HA PHE 52 HA PHE 52 10.574 -0.241 0.529 426 HB2 PHE 52 1HB PHE 52 10.965 -2.414 1.698 427 HB3 PHE 52 2HB PHE 52 10.610 -3.251 0.192 428 HD1 PHE 52 HD2 PHE 52 12.900 -0.717 1.662 429 HD2 PHE 52 HD1 PHE 52 12.309 -3.703 -1.315 430 HE1 PHE 52 HE2 PHE 52 15.262 -0.523 1.003 431 HE2 PHE 52 HE1 PHE 52 14.671 -3.514 -1.977 432 HZ PHE 52 HZ PHE 52 16.150 -1.920 -0.820 433 H GLN 53 H GLN 53 11.599 0.156 -1.404 434 HA GLN 53 HA GLN 53 10.108 -0.655 -3.801 435 HB2 GLN 53 1HB GLN 53 11.664 1.838 -3.145 436 HB3 GLN 53 2HB GLN 53 11.280 1.406 -4.804 437 HG2 GLN 53 1HG GLN 53 9.189 1.690 -2.671 438 HG3 GLN 53 2HG GLN 53 9.719 3.031 -3.687 439 HE21 GLN 53 2HE2 GLN 53 9.126 3.092 -5.820 440 HE22 GLN 53 1HE2 GLN 53 7.954 2.027 -6.509 441 HA PRO 54 HA PRO 54 14.090 -2.833 -4.536 442 HB2 PRO 54 1HB PRO 54 12.326 -4.271 -6.420 443 HB3 PRO 54 2HB PRO 54 13.412 -4.919 -5.188 444 HG2 PRO 54 1HG PRO 54 10.746 -4.993 -4.888 445 HG3 PRO 54 2HG PRO 54 11.834 -4.736 -3.508 446 HD2 PRO 54 1HD PRO 54 10.190 -2.744 -5.027 447 HD3 PRO 54 2HD PRO 54 10.499 -2.853 -3.281 448 H ASP 55 H ASP 55 11.530 -1.833 -6.754 449 HA ASP 55 HA ASP 55 13.576 -0.733 -8.559 450 HB2 ASP 55 1HB ASP 55 10.632 -1.127 -9.148 451 HB3 ASP 55 2HB ASP 55 11.892 -0.684 -10.292 452 H GLY 56 H GLY 56 14.005 1.300 -7.986 453 HA2 GLY 56 1HA GLY 56 12.195 2.834 -6.393 454 HA3 GLY 56 2HA GLY 56 13.749 3.368 -7.008 455 H ALA 57 H ALA 57 10.423 2.727 -8.068 456 HA ALA 57 HA ALA 57 10.413 5.304 -9.425 457 HB1 ALA 57 3HB ALA 57 9.533 4.383 -11.497 458 HB2 ALA 57 1HB ALA 57 9.669 2.750 -10.847 459 HB3 ALA 57 2HB ALA 57 11.122 3.703 -11.147 460 H GLY 58 H GLY 58 8.638 6.335 -8.802 461 HA2 GLY 58 1HA GLY 58 6.164 6.281 -9.025 462 HA3 GLY 58 2HA GLY 58 6.228 4.713 -8.234 463 H THR 59 H THR 59 4.749 7.040 -7.442 464 HA THR 59 HA THR 59 5.949 7.448 -4.783 465 HB THR 59 HB THR 59 4.225 9.378 -6.355 466 HG1 THR 59 HG1 THR 59 6.491 9.279 -6.906 467 HG21 THR 59 3HG2 THR 59 5.330 9.614 -3.552 468 HG22 THR 59 1HG2 THR 59 3.626 9.483 -3.998 469 HG23 THR 59 2HG2 THR 59 4.550 10.917 -4.449 470 H LEU 60 H LEU 60 4.878 6.211 -3.377 471 HA LEU 60 HA LEU 60 2.032 5.688 -3.775 472 HB2 LEU 60 1HB LEU 60 3.548 3.803 -3.263 473 HB3 LEU 60 2HB LEU 60 3.961 4.561 -1.738 474 HG LEU 60 HG LEU 60 1.617 4.327 -0.999 475 HD11 LEU 60 1HD1 LEU 60 0.093 2.904 -2.279 476 HD12 LEU 60 2HD1 LEU 60 1.270 2.822 -3.591 477 HD13 LEU 60 3HD1 LEU 60 0.523 4.363 -3.168 478 HD21 LEU 60 3HD2 LEU 60 1.663 1.904 -0.675 479 HD22 LEU 60 1HD2 LEU 60 3.254 2.623 -0.420 480 HD23 LEU 60 2HD2 LEU 60 2.907 1.762 -1.920 481 H LYS 61 H LYS 61 0.619 7.043 -2.872 482 HA LYS 61 HA LYS 61 1.388 8.326 -0.331 483 HB2 LYS 61 1HB LYS 61 -0.341 9.509 -2.513 484 HB3 LYS 61 2HB LYS 61 0.068 10.280 -0.985 485 HG2 LYS 61 1HG LYS 61 2.470 10.153 -1.660 486 HG3 LYS 61 2HG LYS 61 1.929 9.608 -3.248 487 HD2 LYS 61 1HD LYS 61 1.220 12.226 -1.925 488 HD3 LYS 61 2HD LYS 61 2.374 12.008 -3.241 489 HE2 LYS 61 1HE LYS 61 -0.561 11.347 -3.393 490 HE3 LYS 61 2HE LYS 61 0.167 12.835 -3.989 491 HZ1 LYS 61 3HZ LYS 61 -0.189 11.202 -5.743 492 HZ2 LYS 61 1HZ LYS 61 0.830 10.106 -4.954 493 HZ3 LYS 61 2HZ LYS 61 1.460 11.558 -5.556 494 H MET 62 H MET 62 -0.296 8.729 1.169 495 HA MET 62 HA MET 62 -2.363 6.691 1.095 496 HB2 MET 62 1HB MET 62 -0.969 7.304 3.152 497 HB3 MET 62 2HB MET 62 -1.928 8.774 3.240 498 HG2 MET 62 1HG MET 62 -3.966 7.365 3.399 499 HG3 MET 62 2HG MET 62 -2.926 5.947 3.469 500 HE1 MET 62 3HE MET 62 -0.930 6.662 6.808 501 HE2 MET 62 1HE MET 62 -0.477 7.173 5.181 502 HE3 MET 62 2HE MET 62 -1.122 5.553 5.449 503 H SER 63 H SER 63 -4.627 7.310 1.674 504 HA SER 63 HA SER 63 -5.712 9.033 -0.203 505 HB2 SER 63 1HB SER 63 -7.754 8.814 1.510 506 HB3 SER 63 2HB SER 63 -7.233 7.480 0.481 507 HG SER 63 HG SER 63 -6.517 7.933 3.204 508 H ASP 64 H ASP 64 -4.422 9.835 2.895 509 HA ASP 64 HA ASP 64 -5.968 12.291 3.097 510 HB2 ASP 64 1HB ASP 64 -5.059 12.557 5.250 511 HB3 ASP 64 2HB ASP 64 -5.290 10.820 5.086 512 H GLY 65 H GLY 65 -3.210 11.284 1.512 513 HA2 GLY 65 1HA GLY 65 -2.156 12.840 0.007 514 HA3 GLY 65 2HA GLY 65 -2.351 14.090 1.224 515 H THR 66 H THR 66 -1.404 11.489 2.944 516 HA THR 66 HA THR 66 1.223 12.474 3.359 517 HB THR 66 HB THR 66 0.012 9.833 4.192 518 HG1 THR 66 HG1 THR 66 -1.134 11.295 5.281 519 HG21 THR 66 3HG2 THR 66 1.775 9.810 5.915 520 HG22 THR 66 1HG2 THR 66 2.487 11.250 5.186 521 HG23 THR 66 2HG2 THR 66 2.442 9.734 4.284 522 H VAL 67 H VAL 67 3.007 12.121 2.232 523 HA VAL 67 HA VAL 67 3.081 10.087 0.175 524 HB VAL 67 HB VAL 67 5.292 11.935 1.099 525 HG11 VAL 67 1HG1 VAL 67 6.095 9.970 -0.121 526 HG12 VAL 67 2HG1 VAL 67 6.324 11.448 -1.055 527 HG13 VAL 67 3HG1 VAL 67 5.004 10.350 -1.454 528 HG21 VAL 67 3HG2 VAL 67 3.314 12.255 -1.156 529 HG22 VAL 67 1HG2 VAL 67 4.701 13.304 -0.857 530 HG23 VAL 67 2HG2 VAL 67 3.390 13.220 0.319 531 H LEU 68 H LEU 68 3.593 8.063 0.600 532 HA LEU 68 HA LEU 68 4.897 7.369 3.092 533 HB2 LEU 68 1HB LEU 68 3.947 5.561 0.866 534 HB3 LEU 68 2HB LEU 68 4.374 5.079 2.496 535 HG LEU 68 HG LEU 68 2.055 6.896 1.834 536 HD11 LEU 68 1HD1 LEU 68 2.078 3.943 2.443 537 HD12 LEU 68 2HD1 LEU 68 1.665 4.690 0.899 538 HD13 LEU 68 3HD1 LEU 68 0.639 4.954 2.305 539 HD21 LEU 68 3HD2 LEU 68 1.364 6.410 4.130 540 HD22 LEU 68 1HD2 LEU 68 2.945 7.189 4.085 541 HD23 LEU 68 2HD2 LEU 68 2.825 5.454 4.370 542 H LEU 69 H LEU 69 7.029 7.098 3.268 543 HA LEU 69 HA LEU 69 8.635 7.029 0.845 544 HB2 LEU 69 1HB LEU 69 9.400 7.394 3.742 545 HB3 LEU 69 2HB LEU 69 10.538 7.408 2.406 546 HG LEU 69 HG LEU 69 8.288 9.383 2.819 547 HD11 LEU 69 1HD1 LEU 69 10.090 9.651 4.432 548 HD12 LEU 69 2HD1 LEU 69 10.077 10.978 3.271 549 HD13 LEU 69 3HD1 LEU 69 11.270 9.688 3.123 550 HD21 LEU 69 3HD2 LEU 69 10.471 9.299 0.739 551 HD22 LEU 69 1HD2 LEU 69 9.291 10.591 0.949 552 HD23 LEU 69 2HD2 LEU 69 8.761 8.983 0.455 553 HA PRO 70 HA PRO 70 9.562 2.706 1.088 554 HB2 PRO 70 1HB PRO 70 12.083 2.795 -0.010 555 HB3 PRO 70 2HB PRO 70 10.588 2.803 -0.949 556 HG2 PRO 70 1HG PRO 70 12.345 5.092 -0.164 557 HG3 PRO 70 2HG PRO 70 11.509 4.795 -1.699 558 HD2 PRO 70 1HD PRO 70 10.570 6.543 0.120 559 HD3 PRO 70 2HD PRO 70 9.485 5.566 -0.891 560 H ASN 71 H ASN 71 10.272 1.518 2.699 561 HA ASN 71 HA ASN 71 11.504 0.665 4.391 562 HB2 ASN 71 1HB ASN 71 13.473 1.274 2.899 563 HB3 ASN 71 2HB ASN 71 13.641 2.732 3.868 564 HD21 ASN 71 2HD2 ASN 71 14.572 2.610 5.867 565 HD22 ASN 71 1HD2 ASN 71 15.230 1.142 6.532 566 H ASP 72 H ASP 72 10.327 3.775 4.293 567 HA ASP 72 HA ASP 72 10.997 4.399 7.058 568 HB2 ASP 72 1HB ASP 72 10.804 6.155 5.183 569 HB3 ASP 72 2HB ASP 72 9.061 5.940 5.324 570 H LEU 73 H LEU 73 9.301 4.710 8.672 571 HA LEU 73 HA LEU 73 7.151 2.745 8.203 572 HB2 LEU 73 1HB LEU 73 9.124 2.020 9.635 573 HB3 LEU 73 2HB LEU 73 8.581 3.188 10.820 574 HG LEU 73 HG LEU 73 6.766 0.984 9.865 575 HD11 LEU 73 1HD1 LEU 73 8.834 -0.053 10.657 576 HD12 LEU 73 2HD1 LEU 73 7.499 -0.340 11.773 577 HD13 LEU 73 3HD1 LEU 73 8.722 0.871 12.156 578 HD21 LEU 73 3HD2 LEU 73 5.728 1.325 12.049 579 HD22 LEU 73 1HD2 LEU 73 5.745 2.819 11.112 580 HD23 LEU 73 2HD2 LEU 73 6.908 2.584 12.417 581 H TYR 74 H TYR 74 5.143 3.381 8.620 582 HA TYR 74 HA TYR 74 4.702 5.661 10.441 583 HB2 TYR 74 1HB TYR 74 3.139 5.191 7.892 584 HB3 TYR 74 2HB TYR 74 2.987 6.554 8.993 585 HD1 TYR 74 HD1 TYR 74 5.265 7.907 9.330 586 HD2 TYR 74 HD2 TYR 74 4.310 5.499 5.960 587 HE1 TYR 74 HE1 TYR 74 6.881 9.172 7.978 588 HE2 TYR 74 HE2 TYR 74 5.923 6.751 4.597 589 HH TYR 74 HH TYR 74 8.289 8.655 5.846 590 HA PRO 75 HA PRO 75 1.417 2.963 11.918 591 HB2 PRO 75 1HB PRO 75 -0.011 5.116 13.136 592 HB3 PRO 75 2HB PRO 75 1.110 3.992 13.907 593 HG2 PRO 75 1HG PRO 75 1.552 6.703 13.568 594 HG3 PRO 75 2HG PRO 75 2.810 5.497 13.870 595 HD2 PRO 75 1HD PRO 75 1.974 6.760 11.300 596 HD3 PRO 75 2HD PRO 75 3.596 6.299 11.859 597 H LEU 76 H LEU 76 -0.695 2.381 11.413 598 HA LEU 76 HA LEU 76 -1.920 3.853 9.213 599 HB2 LEU 76 1HB LEU 76 -2.494 1.146 10.412 600 HB3 LEU 76 2HB LEU 76 -3.470 1.859 9.143 601 HG LEU 76 HG LEU 76 -0.533 1.186 8.910 602 HD11 LEU 76 1HD1 LEU 76 -1.922 -0.806 9.031 603 HD12 LEU 76 2HD1 LEU 76 -1.309 -0.580 7.393 604 HD13 LEU 76 3HD1 LEU 76 -2.978 -0.164 7.776 605 HD21 LEU 76 3HD2 LEU 76 -1.183 3.106 7.543 606 HD22 LEU 76 1HD2 LEU 76 -2.513 2.172 6.857 607 HD23 LEU 76 2HD2 LEU 76 -0.844 1.693 6.540 608 HA PRO 77 HA PRO 77 -4.757 5.560 12.200 609 HB2 PRO 77 1HB PRO 77 -5.461 7.688 10.783 610 HB3 PRO 77 2HB PRO 77 -3.807 7.508 11.380 611 HG2 PRO 77 1HG PRO 77 -4.880 7.120 8.629 612 HG3 PRO 77 2HG PRO 77 -3.304 7.747 9.142 613 HD2 PRO 77 1HD PRO 77 -3.896 5.108 8.312 614 HD3 PRO 77 2HD PRO 77 -2.387 5.676 9.051 615 H GLY 78 H GLY 78 -5.640 3.760 9.585 616 HA2 GLY 78 1HA GLY 78 -8.471 4.179 10.125 617 HA3 GLY 78 2HA GLY 78 -7.942 4.515 8.485 618 H GLU 79 H GLU 79 -9.860 2.601 9.283 619 HA GLU 79 HA GLU 79 -8.596 0.002 8.830 620 HB2 GLU 79 1HB GLU 79 -11.519 0.700 9.225 621 HB3 GLU 79 2HB GLU 79 -10.826 -0.917 9.224 622 HG2 GLU 79 1HG GLU 79 -9.740 -0.569 11.277 623 HG3 GLU 79 2HG GLU 79 -9.978 1.175 11.202 624 H THR 80 H THR 80 -10.835 2.289 7.376 625 HA THR 80 HA THR 80 -10.732 0.800 4.843 626 HB THR 80 HB THR 80 -12.532 3.156 5.375 627 HG1 THR 80 HG1 THR 80 -13.637 0.629 5.709 628 HG21 THR 80 3HG2 THR 80 -12.343 2.349 3.068 629 HG22 THR 80 1HG2 THR 80 -13.957 2.042 3.714 630 HG23 THR 80 2HG2 THR 80 -12.788 0.726 3.597 631 H PHE 81 H PHE 81 -8.584 1.525 4.394 632 HA PHE 81 HA PHE 81 -8.379 4.404 3.832 633 HB2 PHE 81 1HB PHE 81 -5.938 4.167 4.112 634 HB3 PHE 81 2HB PHE 81 -6.817 3.728 5.569 635 HD1 PHE 81 HD1 PHE 81 -6.948 1.380 6.278 636 HD2 PHE 81 HD2 PHE 81 -4.643 2.561 2.900 637 HE1 PHE 81 HE1 PHE 81 -5.756 -0.771 6.343 638 HE2 PHE 81 HE2 PHE 81 -3.451 0.411 2.960 639 HZ PHE 81 HZ PHE 81 -4.007 -1.259 4.682 640 H ARG 82 H ARG 82 -6.842 4.950 2.067 641 HA ARG 82 HA ARG 82 -6.971 2.984 -0.119 642 HB2 ARG 82 1HB ARG 82 -7.758 5.895 -0.158 643 HB3 ARG 82 2HB ARG 82 -7.415 4.991 -1.625 644 HG2 ARG 82 1HG ARG 82 -9.307 3.697 -1.432 645 HG3 ARG 82 2HG ARG 82 -9.419 3.938 0.312 646 HD2 ARG 82 1HD ARG 82 -9.805 6.185 -1.643 647 HD3 ARG 82 2HD ARG 82 -11.131 5.136 -1.145 648 HE ARG 82 HE ARG 82 -10.442 5.875 1.212 649 HH11 ARG 82 1HH1 ARG 82 -10.098 7.907 -1.619 650 HH12 ARG 82 2HH1 ARG 82 -10.406 9.381 -0.753 651 HH21 ARG 82 1HH2 ARG 82 -10.803 7.795 2.364 652 HH22 ARG 82 2HH2 ARG 82 -10.785 9.325 1.524 653 H LEU 83 H LEU 83 -5.094 2.682 -1.110 654 HA LEU 83 HA LEU 83 -2.923 4.581 -0.569 655 HB2 LEU 83 1HB LEU 83 -2.824 1.735 -1.568 656 HB3 LEU 83 2HB LEU 83 -1.425 2.754 -1.300 657 HG LEU 83 HG LEU 83 -3.342 1.794 0.822 658 HD11 LEU 83 1HD1 LEU 83 -0.470 1.068 0.277 659 HD12 LEU 83 2HD1 LEU 83 -1.870 0.045 -0.042 660 HD13 LEU 83 3HD1 LEU 83 -1.457 0.483 1.617 661 HD21 LEU 83 3HD2 LEU 83 -2.469 4.029 1.320 662 HD22 LEU 83 1HD2 LEU 83 -0.825 3.437 1.089 663 HD23 LEU 83 2HD2 LEU 83 -1.809 2.815 2.414 664 H TYR 84 H TYR 84 -2.488 5.988 -2.106 665 HA TYR 84 HA TYR 84 -3.368 5.396 -4.836 666 HB2 TYR 84 1HB TYR 84 -2.706 8.002 -3.454 667 HB3 TYR 84 2HB TYR 84 -3.060 7.878 -5.176 668 HD1 TYR 84 HD2 TYR 84 -5.307 7.299 -5.940 669 HD2 TYR 84 HD1 TYR 84 -4.457 7.802 -1.805 670 HE1 TYR 84 HE2 TYR 84 -7.713 7.424 -5.470 671 HE2 TYR 84 HE1 TYR 84 -6.867 7.924 -1.319 672 HH TYR 84 HH TYR 84 -9.238 7.022 -3.612 673 H TYR 85 H TYR 85 -1.792 4.304 -5.818 674 HA TYR 85 HA TYR 85 0.975 5.138 -5.566 675 HB2 TYR 85 1HB TYR 85 0.621 2.764 -5.653 676 HB3 TYR 85 2HB TYR 85 -0.359 2.907 -7.108 677 HD1 TYR 85 HD1 TYR 85 3.105 3.407 -5.832 678 HD2 TYR 85 HD2 TYR 85 0.625 2.720 -9.221 679 HE1 TYR 85 HE1 TYR 85 5.106 3.071 -7.224 680 HE2 TYR 85 HE2 TYR 85 2.616 2.382 -10.618 681 HH TYR 85 HH TYR 85 5.661 1.848 -9.405 682 H THR 86 H THR 86 1.635 6.829 -6.690 683 HA THR 86 HA THR 86 0.432 7.487 -9.242 684 HB THR 86 HB THR 86 2.808 8.780 -7.892 685 HG1 THR 86 HG1 THR 86 0.023 9.094 -7.542 686 HG21 THR 86 3HG2 THR 86 2.169 10.728 -9.250 687 HG22 THR 86 1HG2 THR 86 0.890 9.774 -10.003 688 HG23 THR 86 2HG2 THR 86 2.582 9.339 -10.255 689 H SER 87 H SER 87 1.053 6.513 -11.022 690 HA SER 87 HA SER 87 3.296 4.750 -11.038 691 HB2 SER 87 1HB SER 87 1.591 5.558 -13.395 692 HB3 SER 87 2HB SER 87 2.486 4.054 -13.170 693 HG SER 87 HG SER 87 0.917 4.214 -11.106 694 H ALA 88 H ALA 88 5.271 5.587 -11.128 695 HA ALA 88 HA ALA 88 5.853 7.655 -13.131 696 HB1 ALA 88 3HB ALA 88 7.549 6.627 -10.853 697 HB2 ALA 88 1HB ALA 88 6.641 8.137 -10.873 698 HB3 ALA 88 2HB ALA 88 8.002 7.915 -11.971 699 H SER 89 H SER 89 5.829 4.375 -12.753 700 HA SER 89 HA SER 89 8.096 3.952 -14.570 701 HB2 SER 89 1HB SER 89 8.169 2.670 -12.453 702 HB3 SER 89 2HB SER 89 6.613 1.944 -12.852 703 HG SER 89 HG SER 89 7.778 0.488 -13.820 704 H THR 90 H THR 90 7.798 2.929 -16.513 705 HA THR 90 HA THR 90 4.997 2.384 -17.261 706 HB THR 90 HB THR 90 6.056 4.286 -18.482 707 HG1 THR 90 HG1 THR 90 5.489 2.022 -20.142 708 HG21 THR 90 3HG2 THR 90 7.841 2.147 -19.647 709 HG22 THR 90 1HG2 THR 90 8.353 3.431 -18.553 710 HG23 THR 90 2HG2 THR 90 7.762 3.831 -20.166 711 H ASP 91 H ASP 91 7.684 0.885 -16.330 712 HA ASP 91 HA ASP 91 7.223 -1.439 -18.082 713 HB2 ASP 91 1HB ASP 91 9.530 -2.085 -17.817 714 HB3 ASP 91 2HB ASP 91 9.491 -0.409 -18.353 715 H GLN 92 H GLN 92 8.429 -3.405 -16.713 716 HA GLN 92 HA GLN 92 6.586 -3.983 -14.651 717 HB2 GLN 92 1HB GLN 92 7.583 -5.731 -16.013 718 HB3 GLN 92 2HB GLN 92 9.182 -5.319 -15.421 719 HG2 GLN 92 1HG GLN 92 8.534 -6.036 -13.175 720 HG3 GLN 92 2HG GLN 92 6.931 -6.454 -13.781 721 HE21 GLN 92 2HE2 GLN 92 7.209 -8.618 -13.159 722 HE22 GLN 92 1HE2 GLN 92 8.230 -9.693 -14.064 723 H GLN 93 H GLN 93 6.593 -2.764 -12.893 724 HA GLN 93 HA GLN 93 9.107 -2.510 -11.387 725 HB2 GLN 93 1HB GLN 93 8.261 -0.357 -12.347 726 HB3 GLN 93 2HB GLN 93 6.787 -0.559 -11.416 727 HG2 GLN 93 1HG GLN 93 9.416 -0.550 -10.012 728 HG3 GLN 93 2HG GLN 93 8.717 0.971 -10.557 729 HE21 GLN 93 2HE2 GLN 93 9.222 -0.044 -7.853 730 HE22 GLN 93 1HE2 GLN 93 7.694 -0.019 -7.042 731 H THR 94 H THR 94 9.070 -3.217 -9.323 732 HA THR 94 HA THR 94 6.515 -4.341 -8.398 733 HB THR 94 HB THR 94 9.336 -5.141 -7.669 734 HG1 THR 94 HG1 THR 94 9.143 -6.256 -9.450 735 HG21 THR 94 3HG2 THR 94 8.294 -7.046 -6.534 736 HG22 THR 94 1HG2 THR 94 6.698 -6.388 -6.889 737 HG23 THR 94 2HG2 THR 94 7.790 -5.518 -5.812 738 H VAL 95 H VAL 95 5.535 -3.257 -6.873 739 HA VAL 95 HA VAL 95 7.083 -1.822 -4.822 740 HB VAL 95 HB VAL 95 4.091 -1.809 -5.318 741 HG11 VAL 95 1HG1 VAL 95 5.791 -0.070 -3.536 742 HG12 VAL 95 2HG1 VAL 95 4.673 -1.325 -3.004 743 HG13 VAL 95 3HG1 VAL 95 4.063 0.118 -3.813 744 HG21 VAL 95 3HG2 VAL 95 4.410 0.430 -6.237 745 HG22 VAL 95 1HG2 VAL 95 5.292 -0.774 -7.173 746 HG23 VAL 95 2HG2 VAL 95 6.154 0.268 -6.041 747 H ASP 96 H ASP 96 7.425 -2.873 -2.932 748 HA ASP 96 HA ASP 96 5.584 -5.081 -2.274 749 HB2 ASP 96 1HB ASP 96 7.989 -5.688 -2.768 750 HB3 ASP 96 2HB ASP 96 8.438 -4.788 -1.323 751 H VAL 97 H VAL 97 4.224 -4.542 -0.728 752 HA VAL 97 HA VAL 97 5.004 -2.426 1.160 753 HB VAL 97 HB VAL 97 2.218 -3.378 0.479 754 HG11 VAL 97 1HG1 VAL 97 3.169 -0.935 1.971 755 HG12 VAL 97 2HG1 VAL 97 2.396 -2.349 2.682 756 HG13 VAL 97 3HG1 VAL 97 1.494 -1.314 1.576 757 HG21 VAL 97 3HG2 VAL 97 3.255 -2.387 -1.481 758 HG22 VAL 97 1HG2 VAL 97 3.712 -0.966 -0.545 759 HG23 VAL 97 2HG2 VAL 97 2.008 -1.320 -0.837 760 H TYR 98 H TYR 98 5.448 -3.022 3.181 761 HA TYR 98 HA TYR 98 4.395 -5.572 4.157 762 HB2 TYR 98 1HB TYR 98 6.580 -3.777 5.227 763 HB3 TYR 98 2HB TYR 98 6.023 -5.234 6.036 764 HD1 TYR 98 HD2 TYR 98 6.386 -7.446 4.955 765 HD2 TYR 98 HD1 TYR 98 8.114 -3.876 3.417 766 HE1 TYR 98 HE2 TYR 98 8.001 -8.787 3.680 767 HE2 TYR 98 HE1 TYR 98 9.738 -5.207 2.137 768 HH TYR 98 HH TYR 98 9.398 -8.436 1.531 769 H PHE 99 H PHE 99 2.623 -5.541 5.346 770 HA PHE 99 HA PHE 99 2.130 -3.244 7.128 771 HB2 PHE 99 1HB PHE 99 0.274 -5.396 6.078 772 HB3 PHE 99 2HB PHE 99 -0.183 -4.253 7.333 773 HD1 PHE 99 HD2 PHE 99 0.577 -1.705 6.528 774 HD2 PHE 99 HD1 PHE 99 -0.673 -4.935 4.054 775 HE1 PHE 99 HE2 PHE 99 -0.155 -0.104 4.813 776 HE2 PHE 99 HE1 PHE 99 -1.408 -3.336 2.334 777 HZ PHE 99 HZ PHE 99 -1.150 -0.917 2.716 778 H GLN 100 H GLN 100 2.844 -3.601 9.169 779 HA GLN 100 HA GLN 100 3.133 -6.417 9.971 780 HB2 GLN 100 1HB GLN 100 4.884 -5.690 11.493 781 HB3 GLN 100 2HB GLN 100 5.229 -5.179 9.847 782 HG2 GLN 100 1HG GLN 100 4.390 -2.936 10.407 783 HG3 GLN 100 2HG GLN 100 4.149 -3.467 12.069 784 HE21 GLN 100 2HE2 GLN 100 6.476 -2.668 9.633 785 HE22 GLN 100 1HE2 GLN 100 7.858 -2.574 10.673 786 H ASP 101 H ASP 101 2.069 -7.203 11.571 787 HA ASP 101 HA ASP 101 0.263 -5.650 13.198 788 HB2 ASP 101 1HB ASP 101 -0.266 -7.926 12.322 789 HB3 ASP 101 2HB ASP 101 1.021 -8.586 13.317 790 H SER 102 H SER 102 0.343 -5.740 15.597 791 HA SER 102 HA SER 102 2.950 -5.073 16.533 792 HB2 SER 102 1HB SER 102 0.398 -5.524 18.095 793 HB3 SER 102 2HB SER 102 1.867 -4.788 18.729 794 HG SER 102 HG SER 102 0.695 -3.719 16.405 795 H PHE 103 H PHE 103 1.073 -8.004 16.503 796 HA PHE 103 HA PHE 103 2.678 -9.323 18.511 797 HB2 PHE 103 1HB PHE 103 0.693 -10.432 16.516 798 HB3 PHE 103 2HB PHE 103 1.458 -11.369 17.792 799 HD1 PHE 103 HD2 PHE 103 1.270 -9.957 20.178 800 HD2 PHE 103 HD1 PHE 103 -1.492 -9.944 16.939 801 HE1 PHE 103 HE2 PHE 103 -0.535 -9.322 21.724 802 HE2 PHE 103 HE1 PHE 103 -3.300 -9.308 18.479 803 HZ PHE 103 HZ PHE 103 -2.824 -8.998 20.875 804 H GLY 104 H GLY 104 2.942 -8.704 15.151 805 HA2 GLY 104 1HA GLY 104 5.247 -9.081 14.307 806 HA3 GLY 104 2HA GLY 104 5.123 -10.697 14.981 807 H GLN 105 H GLN 105 2.143 -10.132 13.823 808 HA GLN 105 HA GLN 105 2.523 -11.793 11.527 809 HB2 GLN 105 1HB GLN 105 0.034 -10.193 12.113 810 HB3 GLN 105 2HB GLN 105 0.165 -11.726 11.266 811 HG2 GLN 105 1HG GLN 105 0.845 -12.781 13.419 812 HG3 GLN 105 2HG GLN 105 0.517 -11.242 14.212 813 HE21 GLN 105 2HE2 GLN 105 -1.774 -10.667 12.486 814 HE22 GLN 105 1HE2 GLN 105 -3.055 -11.686 13.045 815 H LEU 106 H LEU 106 3.629 -10.888 9.835 816 HA LEU 106 HA LEU 106 2.787 -8.188 9.058 817 HB2 LEU 106 1HB LEU 106 4.908 -7.832 8.071 818 HB3 LEU 106 2HB LEU 106 5.182 -8.490 9.667 819 HG LEU 106 HG LEU 106 5.337 -10.763 8.262 820 HD11 LEU 106 1HD1 LEU 106 6.531 -10.351 6.161 821 HD12 LEU 106 2HD1 LEU 106 6.246 -8.619 6.348 822 HD13 LEU 106 3HD1 LEU 106 4.885 -9.717 6.120 823 HD21 LEU 106 3HD2 LEU 106 7.040 -9.933 9.776 824 HD22 LEU 106 1HD2 LEU 106 7.542 -8.730 8.589 825 HD23 LEU 106 2HD2 LEU 106 7.778 -10.446 8.259 826 H GLN 107 H GLN 107 1.934 -7.799 7.143 827 HA GLN 107 HA GLN 107 1.556 -10.085 5.327 828 HB2 GLN 107 1HB GLN 107 -0.133 -7.625 5.811 829 HB3 GLN 107 2HB GLN 107 -0.424 -8.764 4.503 830 HG2 GLN 107 1HG GLN 107 -0.370 -9.560 7.397 831 HG3 GLN 107 2HG GLN 107 -1.835 -9.058 6.556 832 HE21 GLN 107 2HE2 GLN 107 -1.092 -10.287 4.053 833 HE22 GLN 107 1HE2 GLN 107 -1.286 -11.994 4.261 834 H GLN 108 H GLN 108 2.931 -9.986 3.713 835 HA GLN 108 HA GLN 108 3.835 -7.410 2.706 836 HB2 GLN 108 1HB GLN 108 5.383 -8.827 1.307 837 HB3 GLN 108 2HB GLN 108 5.613 -8.952 3.043 838 HG2 GLN 108 1HG GLN 108 4.413 -11.067 3.068 839 HG3 GLN 108 2HG GLN 108 4.115 -10.928 1.336 840 HE21 GLN 108 2HE2 GLN 108 5.190 -12.860 0.914 841 HE22 GLN 108 1HE2 GLN 108 6.911 -12.994 1.002 842 H LEU 109 H LEU 109 2.582 -6.474 1.260 843 HA LEU 109 HA LEU 109 1.183 -8.141 -0.708 844 HB2 LEU 109 1HB LEU 109 0.873 -5.193 -0.113 845 HB3 LEU 109 2HB LEU 109 -0.103 -6.122 -1.235 846 HG LEU 109 HG LEU 109 -0.043 -6.411 1.770 847 HD11 LEU 109 1HD1 LEU 109 -2.354 -5.677 1.632 848 HD12 LEU 109 2HD1 LEU 109 -2.218 -5.538 -0.121 849 HD13 LEU 109 3HD1 LEU 109 -1.273 -4.477 0.923 850 HD21 LEU 109 3HD2 LEU 109 -1.627 -7.983 -0.261 851 HD22 LEU 109 1HD2 LEU 109 -1.796 -8.083 1.493 852 HD23 LEU 109 2HD2 LEU 109 -0.297 -8.605 0.719 853 H THR 110 H THR 110 2.368 -8.534 -2.429 854 HA THR 110 HA THR 110 4.322 -6.554 -3.318 855 HB THR 110 HB THR 110 4.030 -9.439 -4.175 856 HG1 THR 110 HG1 THR 110 5.450 -8.199 -2.042 857 HG21 THR 110 3HG2 THR 110 5.268 -8.051 -5.760 858 HG22 THR 110 1HG2 THR 110 6.347 -9.184 -4.943 859 HG23 THR 110 2HG2 THR 110 6.318 -7.486 -4.460 860 H PHE 111 H PHE 111 3.712 -5.236 -4.897 861 HA PHE 111 HA PHE 111 1.776 -6.233 -6.890 862 HB2 PHE 111 1HB PHE 111 2.315 -3.389 -6.013 863 HB3 PHE 111 2HB PHE 111 1.170 -3.867 -7.258 864 HD1 PHE 111 HD1 PHE 111 -0.824 -5.237 -6.610 865 HD2 PHE 111 HD2 PHE 111 1.734 -3.408 -3.745 866 HE1 PHE 111 HE1 PHE 111 -2.584 -5.455 -4.905 867 HE2 PHE 111 HE2 PHE 111 -0.019 -3.624 -2.033 868 HZ PHE 111 HZ PHE 111 -2.184 -4.649 -2.611 869 H SER 112 H SER 112 2.672 -6.656 -8.795 870 HA SER 112 HA SER 112 4.896 -4.958 -9.705 871 HB2 SER 112 1HB SER 112 4.259 -7.817 -10.474 872 HB3 SER 112 2HB SER 112 5.582 -6.852 -11.129 873 HG SER 112 HG SER 112 6.606 -6.900 -9.204 874 H PHE 113 H PHE 113 4.451 -3.664 -11.349 875 HA PHE 113 HA PHE 113 1.780 -3.891 -12.501 876 HB2 PHE 113 1HB PHE 113 3.687 -1.547 -12.467 877 HB3 PHE 113 2HB PHE 113 2.029 -1.515 -13.057 878 HD1 PHE 113 HD1 PHE 113 0.174 -2.073 -11.396 879 HD2 PHE 113 HD2 PHE 113 4.155 -1.136 -10.230 880 HE1 PHE 113 HE1 PHE 113 -0.620 -1.531 -9.133 881 HE2 PHE 113 HE2 PHE 113 3.369 -0.595 -7.963 882 HZ PHE 113 HZ PHE 113 0.976 -0.794 -7.412 883 H ASN 114 H ASN 114 1.559 -2.835 -14.696 884 HA ASN 114 HA ASN 114 2.039 -2.556 -16.901 885 HB2 ASN 114 1HB ASN 114 4.395 -2.093 -16.471 886 HB3 ASN 114 2HB ASN 114 4.732 -3.816 -16.334 887 HD21 ASN 114 2HD2 ASN 114 4.011 -1.198 -18.496 888 HD22 ASN 114 1HD2 ASN 114 4.394 -2.032 -19.959 889 H ASN 115 H ASN 115 3.573 -5.653 -15.992 890 HA ASN 115 HA ASN 115 1.433 -7.103 -17.283 891 HB2 ASN 115 1HB ASN 115 2.909 -6.459 -19.187 892 HB3 ASN 115 2HB ASN 115 4.241 -7.309 -18.406 893 HD21 ASN 115 2HD2 ASN 115 1.232 -7.629 -20.097 894 HD22 ASN 115 1HD2 ASN 115 1.356 -9.331 -20.411 895 H ASP 116 H ASP 116 4.865 -7.710 -16.546 896 HA ASP 116 HA ASP 116 5.899 -9.023 -15.002 897 HB2 ASP 116 1HB ASP 116 4.401 -7.807 -13.414 898 HB3 ASP 116 2HB ASP 116 3.201 -9.075 -13.616 899 H SER 117 H SER 117 5.468 -11.316 -13.767 900 HA SER 117 HA SER 117 4.865 -13.230 -15.793 901 HB2 SER 117 1HB SER 117 6.512 -13.539 -13.876 902 HB3 SER 117 2HB SER 117 5.119 -13.729 -12.815 903 HG SER 117 HG SER 117 5.405 -15.305 -15.142 904 H SER 118 H SER 118 3.188 -11.688 -13.180 905 HA SER 118 HA SER 118 0.974 -11.269 -12.935 906 HB2 SER 118 1HB SER 118 0.513 -13.194 -15.220 907 HB3 SER 118 2HB SER 118 -0.685 -12.105 -14.524 908 HG SER 118 HG SER 118 1.441 -10.651 -15.155 909 H LYS 119 H LYS 119 -0.725 -12.068 -11.765 910 HA LYS 119 HA LYS 119 -0.633 -14.928 -11.060 911 HB2 LYS 119 1HB LYS 119 -1.302 -12.560 -9.303 912 HB3 LYS 119 2HB LYS 119 -1.658 -14.223 -8.860 913 HG2 LYS 119 1HG LYS 119 0.744 -14.742 -8.977 914 HG3 LYS 119 2HG LYS 119 1.071 -13.046 -9.340 915 HD2 LYS 119 1HD LYS 119 0.134 -12.376 -7.211 916 HD3 LYS 119 2HD LYS 119 -0.316 -14.041 -6.851 917 HE2 LYS 119 1HE LYS 119 2.041 -14.678 -6.842 918 HE3 LYS 119 2HE LYS 119 2.495 -13.021 -7.237 919 HZ1 LYS 119 3HZ LYS 119 2.744 -13.437 -4.882 920 HZ2 LYS 119 1HZ LYS 119 1.116 -13.902 -4.752 921 HZ3 LYS 119 2HZ LYS 119 1.515 -12.300 -5.139 922 H GLU 120 H GLU 120 -2.556 -16.010 -11.126 923 HA GLU 120 HA GLU 120 -4.869 -14.440 -12.080 924 HB2 GLU 120 1HB GLU 120 -3.643 -16.092 -13.662 925 HB3 GLU 120 2HB GLU 120 -4.413 -17.349 -12.705 926 HG2 GLU 120 1HG GLU 120 -6.588 -16.564 -13.307 927 HG3 GLU 120 2HG GLU 120 -5.909 -15.150 -14.110 928 H GLU 121 H GLU 121 -4.298 -14.815 -9.387 929 HA GLU 121 HA GLU 121 -5.172 -15.440 -7.406 930 HB2 GLU 121 1HB GLU 121 -7.530 -16.232 -9.124 931 HB3 GLU 121 2HB GLU 121 -7.543 -16.287 -7.368 932 HG2 GLU 121 1HG GLU 121 -8.532 -14.266 -7.750 933 HG3 GLU 121 2HG GLU 121 -6.849 -13.782 -7.569 934 H GLU 122 H GLU 122 -6.802 -17.676 -6.749 935 HA GLU 122 HA GLU 122 -4.774 -19.756 -7.081 936 HB2 GLU 122 1HB GLU 122 -6.120 -20.855 -5.181 937 HB3 GLU 122 2HB GLU 122 -5.165 -19.430 -4.800 938 HG2 GLU 122 1HG GLU 122 -7.083 -18.049 -4.733 939 HG3 GLU 122 2HG GLU 122 -8.094 -19.305 -5.448 940 H LEU 123 H LEU 123 -5.158 -20.961 -8.830 941 HA LEU 123 HA LEU 123 -7.867 -21.785 -9.497 942 HB2 LEU 123 1HB LEU 123 -5.231 -22.426 -10.831 943 HB3 LEU 123 2HB LEU 123 -6.801 -22.925 -11.428 944 HG LEU 123 HG LEU 123 -7.323 -20.381 -11.496 945 HD11 LEU 123 1HD1 LEU 123 -5.402 -18.953 -11.868 946 HD12 LEU 123 2HD1 LEU 123 -4.311 -20.305 -11.564 947 HD13 LEU 123 3HD1 LEU 123 -5.323 -19.677 -10.262 948 HD21 LEU 123 3HD2 LEU 123 -5.387 -21.635 -13.438 949 HD22 LEU 123 1HD2 LEU 123 -6.411 -20.237 -13.756 950 HD23 LEU 123 2HD2 LEU 123 -7.139 -21.815 -13.460 951 H GLU 124 H GLU 124 -4.815 -23.183 -8.426 952 HA GLU 124 HA GLU 124 -6.212 -25.710 -7.844 953 HB2 GLU 124 1HB GLU 124 -3.963 -25.262 -9.437 954 HB3 GLU 124 2HB GLU 124 -3.303 -25.870 -7.926 955 HG2 GLU 124 1HG GLU 124 -5.486 -27.251 -9.466 956 HG3 GLU 124 2HG GLU 124 -3.770 -27.596 -9.674 957 H HIS 125 H HIS 125 -4.881 -26.960 -6.080 958 HA HIS 125 HA HIS 125 -3.878 -27.139 -4.049 959 HB2 HIS 125 1HB HIS 125 -3.231 -24.221 -4.449 960 HB3 HIS 125 2HB HIS 125 -2.734 -25.133 -3.030 961 HD1 HIS 125 HD1 HIS 125 -1.780 -24.383 -6.500 962 HD2 HIS 125 HD2 HIS 125 -0.847 -27.246 -3.623 963 HE1 HIS 125 HE1 HIS 125 0.330 -25.497 -7.303 964 HE2 HIS 125 HE2 HIS 125 0.861 -27.247 -5.564 965 H HIS 126 H HIS 126 -6.725 -25.911 -4.610 966 HA HIS 126 HA HIS 126 -7.197 -25.394 -1.754 967 HB2 HIS 126 1HB HIS 126 -7.375 -23.278 -2.990 968 HB3 HIS 126 2HB HIS 126 -8.589 -23.994 -4.044 969 HD1 HIS 126 HD1 HIS 126 -10.929 -23.532 -3.386 970 HD2 HIS 126 HD2 HIS 126 -8.324 -23.324 -0.146 971 HE1 HIS 126 HE1 HIS 126 -12.337 -22.836 -1.423 972 HE2 HIS 126 HE2 HIS 126 -10.780 -22.924 0.559 973 H HIS 127 H HIS 127 -8.860 -26.297 -4.805 974 HA HIS 127 HA HIS 127 -11.053 -27.414 -3.316 975 HB2 HIS 127 1HB HIS 127 -11.415 -26.398 -5.534 976 HB3 HIS 127 2HB HIS 127 -10.447 -27.673 -6.269 977 HD1 HIS 127 HD1 HIS 127 -11.931 -29.297 -7.390 978 HD2 HIS 127 HD2 HIS 127 -13.619 -27.851 -3.873 979 HE1 HIS 127 HE1 HIS 127 -14.127 -30.505 -7.142 980 HE2 HIS 127 HE2 HIS 127 -15.103 -29.665 -4.974 981 H HIS 128 H HIS 128 -8.730 -28.944 -5.602 982 HA HIS 128 HA HIS 128 -9.140 -31.404 -4.049 983 HB2 HIS 128 1HB HIS 128 -8.337 -32.692 -5.945 984 HB3 HIS 128 2HB HIS 128 -9.671 -31.664 -6.428 985 HD1 HIS 128 HD1 HIS 128 -9.213 -29.917 -8.250 986 HD2 HIS 128 HD2 HIS 128 -5.844 -32.084 -7.125 987 HE1 HIS 128 HE1 HIS 128 -7.490 -29.472 -10.027 988 HE2 HIS 128 HE2 HIS 128 -5.420 -30.675 -9.251 989 H HIS 129 H HIS 129 -7.787 -31.350 -2.422 990 HA HIS 129 HA HIS 129 -4.931 -31.368 -3.064 991 HB2 HIS 129 1HB HIS 129 -5.606 -29.062 -2.290 992 HB3 HIS 129 2HB HIS 129 -6.053 -29.775 -0.746 993 HD1 HIS 129 HD1 HIS 129 -4.268 -28.341 0.474 994 HD2 HIS 129 HD2 HIS 129 -2.718 -30.906 -2.409 995 HE1 HIS 129 HE1 HIS 129 -1.788 -28.395 0.876 996 HE2 HIS 129 HE2 HIS 129 -0.856 -29.739 -1.044 997 H HIS 130 H HIS 130 -7.575 -32.691 -1.529 998 HA HIS 130 HA HIS 130 -6.028 -34.746 -0.294 999 HB2 HIS 130 1HB HIS 130 -5.943 -32.885 1.415 1000 HB3 HIS 130 2HB HIS 130 -7.693 -33.015 1.550 1001 HD1 HIS 130 HD1 HIS 130 -4.524 -34.860 2.330 1002 HD2 HIS 130 HD2 HIS 130 -8.605 -35.149 3.080 1003 HE1 HIS 130 HE1 HIS 130 -4.763 -36.633 4.099 1004 HE2 HIS 130 HE2 HIS 130 -7.252 -36.904 4.414
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