NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
142911 | 2kkv | 16373 | cing | 1-original | 4 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -22.929 1.097 -4.107 2 H2 MET 1 H2 MET 1 -24.309 0.120 -4.260 3 H3 MET 1 H3 MET 1 -22.764 -0.575 -4.330 4 HA MET 1 HA MET 1 -23.724 -1.024 -2.203 5 HB2 MET 1 HB2 MET 1 -21.292 -0.588 -2.383 6 HB3 MET 1 HB3 MET 1 -21.585 1.111 -2.050 7 HG2 MET 1 HG2 MET 1 -22.352 0.597 0.164 8 HG3 MET 1 HG3 MET 1 -22.246 -1.133 -0.163 9 HE1 MET 1 HE1 MET 1 -18.365 -1.615 -0.585 10 HE2 MET 1 HE2 MET 1 -19.536 -1.262 -1.856 11 HE3 MET 1 HE3 MET 1 -19.935 -2.417 -0.585 12 H GLU 2 H GLU 2 -25.385 -0.480 -0.969 13 HA GLU 2 HA GLU 2 -26.719 1.975 -1.163 14 HB2 GLU 2 HB2 GLU 2 -26.915 -0.177 0.941 15 HB3 GLU 2 HB3 GLU 2 -28.020 1.184 0.821 16 HG2 GLU 2 HG2 GLU 2 -27.589 -0.926 -1.282 17 HG3 GLU 2 HG3 GLU 2 -28.955 -0.833 -0.172 18 H ASN 3 H ASN 3 -24.711 0.715 1.518 19 HA ASN 3 HA ASN 3 -24.796 3.272 2.853 20 HB2 ASN 3 HB2 ASN 3 -23.283 0.724 3.422 21 HB3 ASN 3 HB3 ASN 3 -23.018 2.196 4.350 22 HD21 ASN 3 HD21 ASN 3 -23.800 1.481 6.272 23 HD22 ASN 3 HD22 ASN 3 -25.458 1.061 6.540 24 H SER 4 H SER 4 -23.825 4.889 1.872 25 HA SER 4 HA SER 4 -21.622 4.571 0.097 26 HB2 SER 4 HB2 SER 4 -22.690 7.110 1.351 27 HB3 SER 4 HB3 SER 4 -21.714 6.989 -0.114 28 HG SER 4 HG SER 4 -23.850 5.395 -0.351 29 H GLY 5 H GLY 5 -19.559 4.322 0.622 30 HA2 GLY 5 HA2 GLY 5 -17.858 5.838 1.965 31 HA3 GLY 5 HA3 GLY 5 -18.661 5.041 3.310 32 H ALA 6 H ALA 6 -16.036 4.698 3.154 33 HA ALA 6 HA ALA 6 -14.418 3.108 3.213 34 HB1 ALA 6 HB1 ALA 6 -16.678 1.162 2.754 35 HB2 ALA 6 HB2 ALA 6 -16.127 1.749 4.324 36 HB3 ALA 6 HB3 ALA 6 -15.058 0.762 3.327 37 H TYR 7 H TYR 7 -15.060 4.420 0.738 38 HA TYR 7 HA TYR 7 -14.643 2.420 -1.335 39 HB2 TYR 7 HB2 TYR 7 -15.149 4.087 -2.878 40 HB3 TYR 7 HB3 TYR 7 -16.092 4.606 -1.487 41 HD1 TYR 7 HD1 TYR 7 -14.632 6.230 0.172 42 HD2 TYR 7 HD2 TYR 7 -14.013 5.716 -4.005 43 HE1 TYR 7 HE1 TYR 7 -13.498 8.415 0.072 44 HE2 TYR 7 HE2 TYR 7 -12.882 7.891 -4.114 45 HH TYR 7 HH TYR 7 -11.685 9.486 -1.535 46 H THR 8 H THR 8 -12.737 3.538 0.885 47 HA THR 8 HA THR 8 -10.634 4.848 -0.506 48 HB THR 8 HB THR 8 -9.449 4.387 1.755 49 HG1 THR 8 HG1 THR 8 -10.743 3.641 3.372 50 HG21 THR 8 HG21 THR 8 -10.372 6.561 1.107 51 HG22 THR 8 HG22 THR 8 -10.688 6.228 2.810 52 HG23 THR 8 HG23 THR 8 -11.976 6.041 1.621 53 H PHE 9 H PHE 9 -8.334 3.989 0.207 54 HA PHE 9 HA PHE 9 -7.674 1.950 -1.565 55 HB2 PHE 9 HB2 PHE 9 -6.254 3.846 -0.496 56 HB3 PHE 9 HB3 PHE 9 -5.952 2.685 0.788 57 HD1 PHE 9 HD1 PHE 9 -5.516 3.320 -2.826 58 HD2 PHE 9 HD2 PHE 9 -4.372 0.963 0.523 59 HE1 PHE 9 HE1 PHE 9 -3.642 2.396 -4.126 60 HE2 PHE 9 HE2 PHE 9 -2.497 0.034 -0.769 61 HZ PHE 9 HZ PHE 9 -2.128 0.752 -3.096 62 H GLU 10 H GLU 10 -8.636 1.816 1.737 63 HA GLU 10 HA GLU 10 -7.494 -0.570 2.617 64 HB2 GLU 10 HB2 GLU 10 -10.218 0.520 3.334 65 HB3 GLU 10 HB3 GLU 10 -9.232 -0.563 4.302 66 HG2 GLU 10 HG2 GLU 10 -7.729 1.118 4.869 67 HG3 GLU 10 HG3 GLU 10 -8.255 2.161 3.547 68 H THR 11 H THR 11 -10.721 -0.015 1.209 69 HA THR 11 HA THR 11 -11.457 -2.757 1.434 70 HB THR 11 HB THR 11 -12.835 -0.616 -0.193 71 HG1 THR 11 HG1 THR 11 -13.703 0.103 1.637 72 HG21 THR 11 HG21 THR 11 -14.846 -1.940 0.254 73 HG22 THR 11 HG22 THR 11 -13.878 -3.130 1.124 74 HG23 THR 11 HG23 THR 11 -13.640 -2.893 -0.608 75 H ILE 12 H ILE 12 -10.105 -0.788 -1.130 76 HA ILE 12 HA ILE 12 -10.695 -2.451 -3.315 77 HB ILE 12 HB ILE 12 -8.231 -0.730 -2.974 78 HG12 ILE 12 HG12 ILE 12 -10.265 0.576 -2.597 79 HG13 ILE 12 HG13 ILE 12 -9.533 1.014 -4.136 80 HG21 ILE 12 HG21 ILE 12 -8.047 -2.292 -4.824 81 HG22 ILE 12 HG22 ILE 12 -8.256 -0.650 -5.433 82 HG23 ILE 12 HG23 ILE 12 -9.616 -1.773 -5.442 83 HD11 ILE 12 HD11 ILE 12 -11.912 -0.793 -3.759 84 HD12 ILE 12 HD12 ILE 12 -11.179 -0.367 -5.305 85 HD13 ILE 12 HD13 ILE 12 -11.948 0.878 -4.320 86 H ALA 13 H ALA 13 -8.148 -2.569 -0.900 87 HA ALA 13 HA ALA 13 -6.599 -4.611 -2.113 88 HB1 ALA 13 HB1 ALA 13 -6.841 -3.888 0.807 89 HB2 ALA 13 HB2 ALA 13 -5.713 -3.173 -0.345 90 HB3 ALA 13 HB3 ALA 13 -5.572 -4.878 0.086 91 H ARG 14 H ARG 14 -9.432 -4.605 -0.090 92 HA ARG 14 HA ARG 14 -9.380 -7.383 0.569 93 HB2 ARG 14 HB2 ARG 14 -10.574 -5.536 1.834 94 HB3 ARG 14 HB3 ARG 14 -11.767 -5.524 0.548 95 HG2 ARG 14 HG2 ARG 14 -11.147 -7.992 2.144 96 HG3 ARG 14 HG3 ARG 14 -12.342 -6.803 2.655 97 HD2 ARG 14 HD2 ARG 14 -12.369 -8.423 0.111 98 HD3 ARG 14 HD3 ARG 14 -13.436 -8.619 1.500 99 HE ARG 14 HE ARG 14 -13.486 -6.379 -0.417 100 HH11 ARG 14 HH11 ARG 14 -14.983 -8.205 2.172 101 HH12 ARG 14 HH12 ARG 14 -16.525 -7.419 1.998 102 HH21 ARG 14 HH21 ARG 14 -15.493 -5.374 -0.678 103 HH22 ARG 14 HH22 ARG 14 -16.819 -5.793 0.383 104 H GLU 15 H GLU 15 -10.679 -5.444 -2.029 105 HA GLU 15 HA GLU 15 -12.680 -7.116 -2.980 106 HB2 GLU 15 HB2 GLU 15 -10.927 -5.177 -4.479 107 HB3 GLU 15 HB3 GLU 15 -12.364 -5.936 -5.153 108 HG2 GLU 15 HG2 GLU 15 -12.233 -4.065 -2.807 109 HG3 GLU 15 HG3 GLU 15 -12.927 -3.750 -4.396 110 H TRP 16 H TRP 16 -9.337 -6.892 -4.229 111 HA TRP 16 HA TRP 16 -9.741 -9.252 -5.814 112 HB2 TRP 16 HB2 TRP 16 -7.235 -9.092 -6.211 113 HB3 TRP 16 HB3 TRP 16 -8.198 -7.724 -6.748 114 HD1 TRP 16 HD1 TRP 16 -7.565 -5.388 -5.814 115 HE1 TRP 16 HE1 TRP 16 -5.813 -4.529 -4.141 116 HE3 TRP 16 HE3 TRP 16 -5.925 -9.867 -3.964 117 HZ2 TRP 16 HZ2 TRP 16 -3.983 -5.601 -2.282 118 HZ3 TRP 16 HZ3 TRP 16 -4.174 -9.858 -2.241 119 HH2 TRP 16 HH2 TRP 16 -3.226 -7.770 -1.419 120 H HIS 17 H HIS 17 -8.614 -8.614 -2.598 121 HA HIS 17 HA HIS 17 -7.183 -11.006 -2.199 122 HB2 HIS 17 HB2 HIS 17 -6.934 -9.121 -0.671 123 HB3 HIS 17 HB3 HIS 17 -8.606 -9.299 -0.148 124 HD1 HIS 17 HD1 HIS 17 -5.202 -10.684 0.368 125 HD2 HIS 17 HD2 HIS 17 -9.092 -11.563 1.525 126 HE1 HIS 17 HE1 HIS 17 -4.993 -12.400 2.191 127 HE2 HIS 17 HE2 HIS 17 -7.365 -13.139 2.630 128 H GLU 18 H GLU 18 -10.646 -10.348 -2.035 129 HA GLU 18 HA GLU 18 -11.233 -12.541 -0.333 130 HB2 GLU 18 HB2 GLU 18 -13.596 -12.151 -0.967 131 HB3 GLU 18 HB3 GLU 18 -12.766 -10.713 -0.406 132 HG2 GLU 18 HG2 GLU 18 -14.006 -9.946 -2.188 133 HG3 GLU 18 HG3 GLU 18 -12.413 -10.194 -2.896 134 H SER 19 H SER 19 -10.375 -12.475 -3.591 135 HA SER 19 HA SER 19 -11.728 -14.917 -4.324 136 HB2 SER 19 HB2 SER 19 -9.395 -13.527 -5.673 137 HB3 SER 19 HB3 SER 19 -10.433 -14.765 -6.385 138 HG SER 19 HG SER 19 -11.851 -12.646 -5.383 139 H ASN 20 H ASN 20 -9.288 -14.174 -2.300 140 HA ASN 20 HA ASN 20 -7.659 -15.253 -1.208 141 HB2 ASN 20 HB2 ASN 20 -9.366 -17.011 -0.911 142 HB3 ASN 20 HB3 ASN 20 -8.820 -17.779 -2.399 143 HD21 ASN 20 HD21 ASN 20 -7.993 -17.008 0.899 144 HD22 ASN 20 HD22 ASN 20 -6.702 -18.149 1.052 145 H LYS 21 H LYS 21 -5.971 -14.353 -2.277 146 HA LYS 21 HA LYS 21 -4.759 -15.949 -4.423 147 HB2 LYS 21 HB2 LYS 21 -5.163 -13.296 -4.407 148 HB3 LYS 21 HB3 LYS 21 -3.602 -13.328 -3.602 149 HG2 LYS 21 HG2 LYS 21 -4.200 -14.498 -6.316 150 HG3 LYS 21 HG3 LYS 21 -3.388 -12.965 -6.010 151 HD2 LYS 21 HD2 LYS 21 -1.553 -14.118 -4.928 152 HD3 LYS 21 HD3 LYS 21 -2.383 -15.663 -5.106 153 HE2 LYS 21 HE2 LYS 21 -0.760 -15.565 -6.827 154 HE3 LYS 21 HE3 LYS 21 -2.321 -15.278 -7.597 155 HZ1 LYS 21 HZ1 LYS 21 -0.281 -13.236 -6.890 156 HZ2 LYS 21 HZ2 LYS 21 -1.825 -12.874 -7.502 157 HZ3 LYS 21 HZ3 LYS 21 -0.722 -13.740 -8.449 158 H ARG 22 H ARG 22 -4.268 -14.708 -1.181 159 HA ARG 22 HA ARG 22 -2.009 -16.519 -0.868 160 HB2 ARG 22 HB2 ARG 22 -1.300 -14.072 -1.431 161 HB3 ARG 22 HB3 ARG 22 -1.801 -13.721 0.216 162 HG2 ARG 22 HG2 ARG 22 -0.196 -15.357 1.059 163 HG3 ARG 22 HG3 ARG 22 0.304 -15.715 -0.595 164 HD2 ARG 22 HD2 ARG 22 0.954 -13.330 -0.854 165 HD3 ARG 22 HD3 ARG 22 0.580 -13.083 0.850 166 HE ARG 22 HE ARG 22 2.591 -15.074 0.041 167 HH11 ARG 22 HH11 ARG 22 1.705 -12.163 1.760 168 HH12 ARG 22 HH12 ARG 22 3.222 -12.018 2.595 169 HH21 ARG 22 HH21 ARG 22 4.605 -14.906 1.116 170 HH22 ARG 22 HH22 ARG 22 4.869 -13.610 2.241 171 H TRP 23 H TRP 23 -1.367 -16.509 1.565 172 HA TRP 23 HA TRP 23 -3.904 -16.967 2.981 173 HB2 TRP 23 HB2 TRP 23 -2.036 -18.293 4.441 174 HB3 TRP 23 HB3 TRP 23 -2.885 -19.004 3.066 175 HD1 TRP 23 HD1 TRP 23 -1.473 -19.625 0.967 176 HE1 TRP 23 HE1 TRP 23 1.018 -19.440 0.349 177 HE3 TRP 23 HE3 TRP 23 0.109 -16.740 4.876 178 HZ2 TRP 23 HZ2 TRP 23 3.335 -18.221 1.379 179 HZ3 TRP 23 HZ3 TRP 23 2.480 -16.096 4.973 180 HH2 TRP 23 HH2 TRP 23 4.046 -16.821 3.256 181 H SER 24 H SER 24 -3.245 -17.131 5.524 182 HA SER 24 HA SER 24 -2.618 -16.139 7.463 183 HB2 SER 24 HB2 SER 24 -0.361 -15.957 6.363 184 HB3 SER 24 HB3 SER 24 -0.815 -14.339 5.828 185 HG SER 24 HG SER 24 -1.104 -14.932 8.548 186 H GLU 25 H GLU 25 -4.734 -15.173 5.604 187 HA GLU 25 HA GLU 25 -4.948 -12.351 5.850 188 HB2 GLU 25 HB2 GLU 25 -7.354 -12.789 5.211 189 HB3 GLU 25 HB3 GLU 25 -6.133 -13.355 4.080 190 HG2 GLU 25 HG2 GLU 25 -6.362 -15.625 5.055 191 HG3 GLU 25 HG3 GLU 25 -7.687 -15.016 6.049 192 H ASP 26 H ASP 26 -5.805 -15.011 7.885 193 HA ASP 26 HA ASP 26 -7.763 -13.875 9.513 194 HB2 ASP 26 HB2 ASP 26 -6.985 -15.524 11.229 195 HB3 ASP 26 HB3 ASP 26 -7.270 -16.235 9.644 196 H HIS 27 H HIS 27 -4.266 -13.630 9.638 197 HA HIS 27 HA HIS 27 -4.188 -12.344 12.191 198 HB2 HIS 27 HB2 HIS 27 -2.366 -13.739 10.850 199 HB3 HIS 27 HB3 HIS 27 -1.920 -12.138 10.265 200 HD1 HIS 27 HD1 HIS 27 0.155 -11.587 11.549 201 HD2 HIS 27 HD2 HIS 27 -2.860 -13.143 13.951 202 HE1 HIS 27 HE1 HIS 27 1.029 -11.454 13.904 203 HE2 HIS 27 HE2 HIS 27 -0.722 -12.602 15.308 204 H ARG 28 H ARG 28 -4.529 -11.329 8.931 205 HA ARG 28 HA ARG 28 -3.267 -8.819 9.045 206 HB2 ARG 28 HB2 ARG 28 -5.505 -9.655 7.201 207 HB3 ARG 28 HB3 ARG 28 -4.360 -8.345 6.936 208 HG2 ARG 28 HG2 ARG 28 -3.725 -11.283 7.063 209 HG3 ARG 28 HG3 ARG 28 -3.740 -10.267 5.621 210 HD2 ARG 28 HD2 ARG 28 -1.748 -9.308 6.112 211 HD3 ARG 28 HD3 ARG 28 -2.026 -9.367 7.853 212 HE ARG 28 HE ARG 28 -1.701 -11.986 7.065 213 HH11 ARG 28 HH11 ARG 28 0.220 -9.057 6.881 214 HH12 ARG 28 HH12 ARG 28 1.738 -9.900 7.066 215 HH21 ARG 28 HH21 ARG 28 0.302 -13.083 7.313 216 HH22 ARG 28 HH22 ARG 28 1.781 -12.166 7.306 217 H SER 29 H SER 29 -6.387 -9.833 10.127 218 HA SER 29 HA SER 29 -7.840 -7.472 9.983 219 HB2 SER 29 HB2 SER 29 -8.762 -9.676 10.683 220 HB3 SER 29 HB3 SER 29 -7.934 -9.504 12.229 221 HG SER 29 HG SER 29 -9.874 -7.689 11.205 222 H ARG 30 H ARG 30 -5.673 -8.583 12.590 223 HA ARG 30 HA ARG 30 -5.904 -6.061 13.986 224 HB2 ARG 30 HB2 ARG 30 -5.628 -8.111 15.281 225 HB3 ARG 30 HB3 ARG 30 -4.095 -8.435 14.479 226 HG2 ARG 30 HG2 ARG 30 -3.202 -6.337 15.438 227 HG3 ARG 30 HG3 ARG 30 -4.715 -6.137 16.322 228 HD2 ARG 30 HD2 ARG 30 -4.327 -8.238 17.487 229 HD3 ARG 30 HD3 ARG 30 -2.840 -8.485 16.573 230 HE ARG 30 HE ARG 30 -2.896 -5.995 18.011 231 HH11 ARG 30 HH11 ARG 30 -2.188 -9.419 18.286 232 HH12 ARG 30 HH12 ARG 30 -1.053 -9.202 19.578 233 HH21 ARG 30 HH21 ARG 30 -1.411 -5.713 19.689 234 HH22 ARG 30 HH22 ARG 30 -0.604 -7.087 20.378 235 H VAL 31 H VAL 31 -3.505 -7.747 12.027 236 HA VAL 31 HA VAL 31 -1.324 -6.050 12.398 237 HB VAL 31 HB VAL 31 -2.022 -7.644 9.921 238 HG11 VAL 31 HG11 VAL 31 0.361 -7.606 9.426 239 HG12 VAL 31 HG12 VAL 31 0.654 -6.597 10.840 240 HG13 VAL 31 HG13 VAL 31 -0.283 -5.966 9.486 241 HG21 VAL 31 HG21 VAL 31 -1.948 -9.052 11.877 242 HG22 VAL 31 HG22 VAL 31 -0.399 -8.355 12.356 243 HG23 VAL 31 HG23 VAL 31 -0.509 -9.337 10.894 244 H LEU 32 H LEU 32 -4.202 -5.547 10.585 245 HA LEU 32 HA LEU 32 -3.470 -3.842 8.562 246 HB2 LEU 32 HB2 LEU 32 -5.756 -4.715 9.039 247 HB3 LEU 32 HB3 LEU 32 -5.899 -3.527 10.319 248 HG LEU 32 HG LEU 32 -5.620 -1.727 8.615 249 HD11 LEU 32 HD11 LEU 32 -5.907 -2.301 6.259 250 HD12 LEU 32 HD12 LEU 32 -5.870 -4.016 6.667 251 HD13 LEU 32 HD13 LEU 32 -4.437 -3.018 6.919 252 HD21 LEU 32 HD21 LEU 32 -7.873 -1.931 7.704 253 HD22 LEU 32 HD22 LEU 32 -7.829 -2.397 9.404 254 HD23 LEU 32 HD23 LEU 32 -7.907 -3.637 8.151 255 H ARG 33 H ARG 33 -3.983 -3.040 11.980 256 HA ARG 33 HA ARG 33 -3.781 -0.258 11.803 257 HB2 ARG 33 HB2 ARG 33 -2.940 -2.104 14.043 258 HB3 ARG 33 HB3 ARG 33 -3.041 -0.356 14.188 259 HG2 ARG 33 HG2 ARG 33 -5.441 -0.465 13.698 260 HG3 ARG 33 HG3 ARG 33 -5.326 -2.224 13.600 261 HD2 ARG 33 HD2 ARG 33 -4.619 -2.345 15.911 262 HD3 ARG 33 HD3 ARG 33 -4.601 -0.586 16.024 263 HE ARG 33 HE ARG 33 -7.065 -2.152 15.570 264 HH11 ARG 33 HH11 ARG 33 -5.300 0.464 17.112 265 HH12 ARG 33 HH12 ARG 33 -6.687 1.060 17.976 266 HH21 ARG 33 HH21 ARG 33 -8.886 -1.383 16.736 267 HH22 ARG 33 HH22 ARG 33 -8.717 0.002 17.778 268 H TYR 34 H TYR 34 -1.245 -2.669 12.371 269 HA TYR 34 HA TYR 34 0.887 -0.803 12.549 270 HB2 TYR 34 HB2 TYR 34 1.103 -3.017 13.526 271 HB3 TYR 34 HB3 TYR 34 0.868 -3.773 11.956 272 HD1 TYR 34 HD2 TYR 34 3.214 -1.787 14.002 273 HD2 TYR 34 HD1 TYR 34 2.681 -4.041 10.435 274 HE1 TYR 34 HE2 TYR 34 5.647 -1.787 13.648 275 HE2 TYR 34 HE1 TYR 34 5.111 -4.047 10.066 276 HH TYR 34 HH TYR 34 7.069 -2.665 10.718 277 H LEU 35 H LEU 35 -0.582 -2.612 9.937 278 HA LEU 35 HA LEU 35 1.457 -2.175 8.023 279 HB2 LEU 35 HB2 LEU 35 -0.444 -3.913 8.048 280 HB3 LEU 35 HB3 LEU 35 -1.443 -2.642 7.379 281 HG LEU 35 HG LEU 35 -0.477 -4.278 5.714 282 HD11 LEU 35 HD11 LEU 35 0.088 -2.579 4.063 283 HD12 LEU 35 HD12 LEU 35 0.230 -1.378 5.348 284 HD13 LEU 35 HD13 LEU 35 -1.332 -2.122 5.004 285 HD21 LEU 35 HD21 LEU 35 2.067 -2.812 6.375 286 HD22 LEU 35 HD22 LEU 35 1.840 -3.919 5.021 287 HD23 LEU 35 HD23 LEU 35 1.736 -4.517 6.678 288 H GLU 36 H GLU 36 -1.763 -0.635 8.381 289 HA GLU 36 HA GLU 36 -1.546 1.163 6.278 290 HB2 GLU 36 HB2 GLU 36 -2.983 1.607 8.904 291 HB3 GLU 36 HB3 GLU 36 -3.263 2.507 7.421 292 HG2 GLU 36 HG2 GLU 36 -3.804 -0.411 7.896 293 HG3 GLU 36 HG3 GLU 36 -4.995 0.875 7.731 294 H LEU 37 H LEU 37 -0.416 1.494 9.592 295 HA LEU 37 HA LEU 37 0.190 4.249 9.475 296 HB2 LEU 37 HB2 LEU 37 -0.094 2.976 11.567 297 HB3 LEU 37 HB3 LEU 37 1.391 2.109 11.232 298 HG LEU 37 HG LEU 37 2.642 4.251 11.375 299 HD11 LEU 37 HD11 LEU 37 1.532 6.205 12.340 300 HD12 LEU 37 HD12 LEU 37 -0.015 5.366 12.265 301 HD13 LEU 37 HD13 LEU 37 0.838 5.775 10.778 302 HD21 LEU 37 HD21 LEU 37 2.455 2.765 13.307 303 HD22 LEU 37 HD22 LEU 37 0.972 3.587 13.798 304 HD23 LEU 37 HD23 LEU 37 2.506 4.460 13.796 305 H TYR 38 H TYR 38 2.061 1.367 8.685 306 HA TYR 38 HA TYR 38 4.468 2.985 8.380 307 HB2 TYR 38 HB2 TYR 38 3.960 0.046 8.625 308 HB3 TYR 38 HB3 TYR 38 5.484 0.625 7.956 309 HD1 TYR 38 HD1 TYR 38 3.285 0.899 10.947 310 HD2 TYR 38 HD2 TYR 38 7.213 1.316 9.366 311 HE1 TYR 38 HE1 TYR 38 4.153 1.266 13.216 312 HE2 TYR 38 HE2 TYR 38 8.091 1.678 11.634 313 HH TYR 38 HH TYR 38 7.325 2.410 13.803 314 H ILE 39 H ILE 39 2.081 1.421 6.408 315 HA ILE 39 HA ILE 39 3.781 1.469 4.065 316 HB ILE 39 HB ILE 39 2.060 -0.271 4.247 317 HG12 ILE 39 HG12 ILE 39 1.089 -0.038 1.988 318 HG13 ILE 39 HG13 ILE 39 1.540 1.663 1.971 319 HG21 ILE 39 HG21 ILE 39 -0.306 0.272 3.982 320 HG22 ILE 39 HG22 ILE 39 0.085 1.993 4.036 321 HG23 ILE 39 HG23 ILE 39 0.368 0.977 5.451 322 HD11 ILE 39 HD11 ILE 39 3.098 0.337 0.679 323 HD12 ILE 39 HD12 ILE 39 3.435 -0.672 2.086 324 HD13 ILE 39 HD13 ILE 39 3.897 1.030 2.090 325 H PHE 40 H PHE 40 1.350 3.513 5.557 326 HA PHE 40 HA PHE 40 1.944 5.531 3.484 327 HB2 PHE 40 HB2 PHE 40 -0.596 5.592 5.099 328 HB3 PHE 40 HB3 PHE 40 -0.245 6.389 3.571 329 HD1 PHE 40 HD1 PHE 40 0.429 4.551 1.647 330 HD2 PHE 40 HD2 PHE 40 -2.116 3.911 5.002 331 HE1 PHE 40 HE1 PHE 40 -0.656 2.683 0.465 332 HE2 PHE 40 HE2 PHE 40 -3.201 2.044 3.825 333 HZ PHE 40 HZ PHE 40 -2.460 1.416 1.563 334 HA PRO 41 HA PRO 41 3.249 7.024 7.681 335 HB2 PRO 41 HB2 PRO 41 5.895 7.512 6.702 336 HB3 PRO 41 HB3 PRO 41 5.376 6.280 7.852 337 HG2 PRO 41 HG2 PRO 41 6.334 5.775 5.304 338 HG3 PRO 41 HG3 PRO 41 5.356 4.654 6.265 339 HD2 PRO 41 HD2 PRO 41 4.537 6.468 4.040 340 HD3 PRO 41 HD3 PRO 41 3.953 4.839 4.444 341 H HIS 42 H HIS 42 4.728 8.332 4.716 342 HA HIS 42 HA HIS 42 4.269 11.040 5.751 343 HB2 HIS 42 HB2 HIS 42 6.586 10.197 4.996 344 HB3 HIS 42 HB3 HIS 42 5.957 10.311 3.358 345 HD1 HIS 42 HD1 HIS 42 6.224 12.516 2.239 346 HD2 HIS 42 HD2 HIS 42 6.562 12.793 6.379 347 HE1 HIS 42 HE1 HIS 42 6.940 14.883 2.713 348 HE2 HIS 42 HE2 HIS 42 7.324 14.963 5.204 349 H ILE 43 H ILE 43 2.760 8.850 3.882 350 HA ILE 43 HA ILE 43 1.708 10.857 1.999 351 HB ILE 43 HB ILE 43 1.327 9.041 0.381 352 HG12 ILE 43 HG12 ILE 43 2.889 7.333 2.336 353 HG13 ILE 43 HG13 ILE 43 1.164 7.187 2.019 354 HG21 ILE 43 HG21 ILE 43 3.356 10.380 0.253 355 HG22 ILE 43 HG22 ILE 43 3.667 8.722 -0.260 356 HG23 ILE 43 HG23 ILE 43 4.178 9.260 1.340 357 HD11 ILE 43 HD11 ILE 43 2.427 5.483 0.846 358 HD12 ILE 43 HD12 ILE 43 3.368 6.727 0.024 359 HD13 ILE 43 HD13 ILE 43 1.639 6.576 -0.293 360 H GLY 44 H GLY 44 0.857 9.589 4.728 361 HA2 GLY 44 HA2 GLY 44 -1.599 8.228 4.078 362 HA3 GLY 44 HA3 GLY 44 -1.049 8.683 5.683 363 H SER 45 H SER 45 -0.951 11.257 3.512 364 HA SER 45 HA SER 45 -3.392 12.370 4.710 365 HB2 SER 45 HB2 SER 45 -1.066 13.851 3.467 366 HB3 SER 45 HB3 SER 45 -2.386 14.548 4.406 367 HG SER 45 HG SER 45 -1.571 13.010 6.118 368 H SER 46 H SER 46 -2.746 10.789 2.046 369 HA SER 46 HA SER 46 -4.136 12.680 0.266 370 HB2 SER 46 HB2 SER 46 -2.203 10.479 -0.500 371 HB3 SER 46 HB3 SER 46 -3.013 11.577 -1.618 372 HG SER 46 HG SER 46 -1.948 13.308 -0.436 373 H ASP 47 H ASP 47 -5.597 11.756 -1.294 374 HA ASP 47 HA ASP 47 -7.113 9.533 -0.193 375 HB2 ASP 47 HB2 ASP 47 -8.320 11.557 -0.880 376 HB3 ASP 47 HB3 ASP 47 -7.695 11.393 -2.515 377 H ILE 48 H ILE 48 -7.937 7.846 -1.689 378 HA ILE 48 HA ILE 48 -5.795 6.491 -2.934 379 HB ILE 48 HB ILE 48 -7.616 5.247 -1.944 380 HG12 ILE 48 HG12 ILE 48 -7.581 4.884 -4.947 381 HG13 ILE 48 HG13 ILE 48 -6.431 4.186 -3.813 382 HG21 ILE 48 HG21 ILE 48 -9.867 5.223 -2.922 383 HG22 ILE 48 HG22 ILE 48 -9.379 6.487 -4.052 384 HG23 ILE 48 HG23 ILE 48 -9.423 6.821 -2.321 385 HD11 ILE 48 HD11 ILE 48 -8.220 2.874 -2.807 386 HD12 ILE 48 HD12 ILE 48 -8.070 2.551 -4.533 387 HD13 ILE 48 HD13 ILE 48 -9.373 3.578 -3.938 388 H ARG 49 H ARG 49 -8.179 8.716 -4.136 389 HA ARG 49 HA ARG 49 -7.639 8.027 -6.902 390 HB2 ARG 49 HB2 ARG 49 -9.392 10.110 -5.612 391 HB3 ARG 49 HB3 ARG 49 -9.198 9.959 -7.354 392 HG2 ARG 49 HG2 ARG 49 -10.115 7.731 -7.308 393 HG3 ARG 49 HG3 ARG 49 -10.201 7.771 -5.545 394 HD2 ARG 49 HD2 ARG 49 -11.669 9.671 -7.368 395 HD3 ARG 49 HD3 ARG 49 -12.373 8.204 -6.685 396 HE ARG 49 HE ARG 49 -11.632 9.373 -4.460 397 HH11 ARG 49 HH11 ARG 49 -12.995 10.894 -7.294 398 HH12 ARG 49 HH12 ARG 49 -13.798 12.147 -6.403 399 HH21 ARG 49 HH21 ARG 49 -12.708 10.969 -3.265 400 HH22 ARG 49 HH22 ARG 49 -13.633 12.195 -4.086 401 H GLN 50 H GLN 50 -5.819 9.511 -4.736 402 HA GLN 50 HA GLN 50 -4.557 11.131 -6.798 403 HB2 GLN 50 HB2 GLN 50 -5.905 12.694 -5.443 404 HB3 GLN 50 HB3 GLN 50 -5.042 12.168 -4.004 405 HG2 GLN 50 HG2 GLN 50 -4.175 14.269 -4.839 406 HG3 GLN 50 HG3 GLN 50 -2.956 13.004 -4.921 407 HE21 GLN 50 HE21 GLN 50 -2.271 12.261 -6.929 408 HE22 GLN 50 HE22 GLN 50 -2.635 13.095 -8.402 409 H LEU 51 H LEU 51 -3.380 9.059 -6.665 410 HA LEU 51 HA LEU 51 -1.360 9.006 -4.558 411 HB2 LEU 51 HB2 LEU 51 -2.381 7.086 -6.547 412 HB3 LEU 51 HB3 LEU 51 -0.649 7.015 -6.275 413 HG LEU 51 HG LEU 51 -1.780 5.399 -4.865 414 HD11 LEU 51 HD11 LEU 51 -0.756 7.741 -3.269 415 HD12 LEU 51 HD12 LEU 51 0.221 6.450 -3.969 416 HD13 LEU 51 HD13 LEU 51 -0.927 6.087 -2.678 417 HD21 LEU 51 HD21 LEU 51 -3.267 7.748 -3.700 418 HD22 LEU 51 HD22 LEU 51 -3.342 6.083 -3.124 419 HD23 LEU 51 HD23 LEU 51 -3.960 6.491 -4.724 420 H LYS 52 H LYS 52 0.939 8.751 -5.281 421 HA LYS 52 HA LYS 52 1.452 10.482 -7.601 422 HB2 LYS 52 HB2 LYS 52 2.880 10.559 -4.936 423 HB3 LYS 52 HB3 LYS 52 3.316 11.516 -6.350 424 HG2 LYS 52 HG2 LYS 52 1.001 12.492 -6.275 425 HG3 LYS 52 HG3 LYS 52 0.789 11.683 -4.724 426 HD2 LYS 52 HD2 LYS 52 2.754 12.919 -3.861 427 HD3 LYS 52 HD3 LYS 52 2.837 13.787 -5.400 428 HE2 LYS 52 HE2 LYS 52 0.475 14.529 -5.008 429 HE3 LYS 52 HE3 LYS 52 0.582 13.820 -3.396 430 HZ1 LYS 52 HZ1 LYS 52 2.103 16.112 -4.486 431 HZ2 LYS 52 HZ2 LYS 52 2.571 15.311 -3.069 432 HZ3 LYS 52 HZ3 LYS 52 1.065 16.086 -3.142 433 H THR 53 H THR 53 3.961 10.424 -8.060 434 HA THR 53 HA THR 53 4.490 7.745 -8.892 435 HB THR 53 HB THR 53 6.504 9.985 -9.009 436 HG1 THR 53 HG1 THR 53 4.218 9.622 -10.689 437 HG21 THR 53 HG21 THR 53 7.014 8.979 -11.204 438 HG22 THR 53 HG22 THR 53 5.764 7.764 -10.933 439 HG23 THR 53 HG23 THR 53 7.194 7.803 -9.900 440 H SER 54 H SER 54 7.317 7.606 -8.593 441 HA SER 54 HA SER 54 7.342 6.196 -6.140 442 HB2 SER 54 HB2 SER 54 9.682 6.811 -7.949 443 HB3 SER 54 HB3 SER 54 9.549 5.491 -6.787 444 HG SER 54 HG SER 54 9.103 4.750 -8.880 445 H HIS 55 H HIS 55 7.316 9.328 -6.167 446 HA HIS 55 HA HIS 55 9.695 10.016 -4.698 447 HB2 HIS 55 HB2 HIS 55 7.052 11.483 -4.935 448 HB3 HIS 55 HB3 HIS 55 8.517 12.140 -4.215 449 HD1 HIS 55 HD1 HIS 55 10.141 13.269 -5.768 450 HD2 HIS 55 HD2 HIS 55 7.300 11.002 -7.791 451 HE1 HIS 55 HE1 HIS 55 10.462 13.796 -8.206 452 HE2 HIS 55 HE2 HIS 55 8.862 12.276 -9.420 453 H LEU 56 H LEU 56 6.534 8.812 -4.039 454 HA LEU 56 HA LEU 56 6.518 9.282 -1.238 455 HB2 LEU 56 HB2 LEU 56 4.642 7.614 -1.239 456 HB3 LEU 56 HB3 LEU 56 4.422 9.021 -2.256 457 HG LEU 56 HG LEU 56 5.196 7.518 -4.196 458 HD11 LEU 56 HD11 LEU 56 4.768 5.134 -3.903 459 HD12 LEU 56 HD12 LEU 56 4.502 5.394 -2.178 460 HD13 LEU 56 HD13 LEU 56 6.093 5.689 -2.880 461 HD21 LEU 56 HD21 LEU 56 2.917 8.306 -3.932 462 HD22 LEU 56 HD22 LEU 56 2.577 6.996 -2.801 463 HD23 LEU 56 HD23 LEU 56 2.932 6.632 -4.490 464 H LEU 57 H LEU 57 8.233 7.105 -3.128 465 HA LEU 57 HA LEU 57 8.287 4.869 -1.355 466 HB2 LEU 57 HB2 LEU 57 8.743 4.635 -3.739 467 HB3 LEU 57 HB3 LEU 57 10.137 5.688 -3.597 468 HG LEU 57 HG LEU 57 11.201 3.996 -2.108 469 HD11 LEU 57 HD11 LEU 57 8.864 2.287 -2.946 470 HD12 LEU 57 HD12 LEU 57 9.188 2.883 -1.318 471 HD13 LEU 57 HD13 LEU 57 10.290 1.730 -2.070 472 HD21 LEU 57 HD21 LEU 57 11.778 2.444 -3.904 473 HD22 LEU 57 HD22 LEU 57 11.752 4.110 -4.477 474 HD23 LEU 57 HD23 LEU 57 10.412 3.028 -4.853 475 H ALA 58 H ALA 58 9.802 7.916 -1.338 476 HA ALA 58 HA ALA 58 12.335 7.417 -0.348 477 HB1 ALA 58 HB1 ALA 58 12.331 9.689 0.504 478 HB2 ALA 58 HB2 ALA 58 10.578 9.763 0.332 479 HB3 ALA 58 HB3 ALA 58 11.597 9.613 -1.099 480 HA PRO 59 HA PRO 59 10.700 7.600 4.229 481 HB2 PRO 59 HB2 PRO 59 8.060 6.929 4.561 482 HB3 PRO 59 HB3 PRO 59 8.683 8.576 4.523 483 HG2 PRO 59 HG2 PRO 59 7.382 7.005 2.344 484 HG3 PRO 59 HG3 PRO 59 7.160 8.709 2.781 485 HD2 PRO 59 HD2 PRO 59 8.687 7.971 0.696 486 HD3 PRO 59 HD3 PRO 59 9.099 9.370 1.709 487 H ILE 60 H ILE 60 9.336 5.373 1.888 488 HA ILE 60 HA ILE 60 9.254 3.111 3.628 489 HB ILE 60 HB ILE 60 9.433 3.129 0.606 490 HG12 ILE 60 HG12 ILE 60 7.537 4.482 1.338 491 HG13 ILE 60 HG13 ILE 60 6.967 2.973 0.634 492 HG21 ILE 60 HG21 ILE 60 9.906 0.958 1.651 493 HG22 ILE 60 HG22 ILE 60 8.402 0.932 0.730 494 HG23 ILE 60 HG23 ILE 60 8.357 1.036 2.490 495 HD11 ILE 60 HD11 ILE 60 7.169 3.596 3.573 496 HD12 ILE 60 HD12 ILE 60 6.613 2.071 2.881 497 HD13 ILE 60 HD13 ILE 60 5.690 3.552 2.611 498 H LYS 61 H LYS 61 11.655 4.732 1.792 499 HA LYS 61 HA LYS 61 13.544 2.597 1.591 500 HB2 LYS 61 HB2 LYS 61 13.342 4.998 0.396 501 HB3 LYS 61 HB3 LYS 61 14.493 5.414 1.655 502 HG2 LYS 61 HG2 LYS 61 14.905 3.085 -0.193 503 HG3 LYS 61 HG3 LYS 61 15.438 4.718 -0.589 504 HD2 LYS 61 HD2 LYS 61 16.774 4.735 1.500 505 HD3 LYS 61 HD3 LYS 61 16.301 3.057 1.775 506 HE2 LYS 61 HE2 LYS 61 17.758 4.044 -0.673 507 HE3 LYS 61 HE3 LYS 61 18.544 3.327 0.731 508 HZ1 LYS 61 HZ1 LYS 61 16.481 1.946 -0.902 509 HZ2 LYS 61 HZ2 LYS 61 17.413 1.276 0.345 510 HZ3 LYS 61 HZ3 LYS 61 18.152 1.752 -1.108 511 H GLU 62 H GLU 62 12.606 4.799 4.063 512 HA GLU 62 HA GLU 62 14.909 4.913 5.637 513 HB2 GLU 62 HB2 GLU 62 12.791 6.246 5.947 514 HB3 GLU 62 HB3 GLU 62 12.075 4.816 6.677 515 HG2 GLU 62 HG2 GLU 62 12.801 6.209 8.441 516 HG3 GLU 62 HG3 GLU 62 13.929 4.857 8.355 517 H VAL 63 H VAL 63 12.210 2.577 5.735 518 HA VAL 63 HA VAL 63 13.397 1.014 7.808 519 HB VAL 63 HB VAL 63 10.940 1.048 7.344 520 HG11 VAL 63 HG11 VAL 63 10.964 0.940 4.927 521 HG12 VAL 63 HG12 VAL 63 10.041 -0.411 5.586 522 HG13 VAL 63 HG13 VAL 63 11.678 -0.672 4.983 523 HG21 VAL 63 HG21 VAL 63 12.221 -1.684 7.303 524 HG22 VAL 63 HG22 VAL 63 10.574 -1.320 7.819 525 HG23 VAL 63 HG23 VAL 63 11.944 -0.691 8.733 526 H ASP 64 H ASP 64 13.523 1.021 4.335 527 HA ASP 64 HA ASP 64 14.760 -1.422 3.802 528 HB2 ASP 64 HB2 ASP 64 14.027 -0.047 1.984 529 HB3 ASP 64 HB3 ASP 64 15.019 1.302 2.514 530 H THR 65 H THR 65 16.088 1.648 4.881 531 HA THR 65 HA THR 65 18.819 0.966 4.659 532 HB THR 65 HB THR 65 17.567 3.028 6.485 533 HG1 THR 65 HG1 THR 65 16.991 3.191 4.195 534 HG21 THR 65 HG21 THR 65 19.713 4.183 6.252 535 HG22 THR 65 HG22 THR 65 20.326 2.856 5.264 536 HG23 THR 65 HG23 THR 65 19.929 2.583 6.962 537 H SER 66 H SER 66 16.435 0.253 7.078 538 HA SER 66 HA SER 66 18.220 -0.065 9.283 539 HB2 SER 66 HB2 SER 66 15.462 -1.250 8.916 540 HB3 SER 66 HB3 SER 66 16.313 -1.005 10.443 541 HG SER 66 HG SER 66 16.298 1.340 9.308 542 H GLY 67 H GLY 67 17.893 -1.874 6.520 543 HA2 GLY 67 HA2 GLY 67 19.153 -3.831 6.098 544 HA3 GLY 67 HA3 GLY 67 19.131 -4.189 7.819 545 H LYS 68 H LYS 68 16.121 -3.276 7.211 546 HA LYS 68 HA LYS 68 15.165 -6.026 6.852 547 HB2 LYS 68 HB2 LYS 68 13.622 -3.561 7.689 548 HB3 LYS 68 HB3 LYS 68 13.076 -5.228 7.785 549 HG2 LYS 68 HG2 LYS 68 15.546 -4.485 9.247 550 HG3 LYS 68 HG3 LYS 68 14.003 -3.929 9.882 551 HD2 LYS 68 HD2 LYS 68 14.521 -6.006 10.945 552 HD3 LYS 68 HD3 LYS 68 13.211 -6.309 9.804 553 HE2 LYS 68 HE2 LYS 68 14.830 -7.174 8.187 554 HE3 LYS 68 HE3 LYS 68 16.136 -6.864 9.328 555 HZ1 LYS 68 HZ1 LYS 68 15.264 -8.487 10.817 556 HZ2 LYS 68 HZ2 LYS 68 15.352 -9.202 9.279 557 HZ3 LYS 68 HZ3 LYS 68 13.857 -8.681 9.886 558 H HIS 69 H HIS 69 16.214 -4.352 4.747 559 HA HIS 69 HA HIS 69 14.444 -2.832 3.310 560 HB2 HIS 69 HB2 HIS 69 15.953 -2.962 1.486 561 HB3 HIS 69 HB3 HIS 69 16.924 -3.071 2.946 562 HD1 HIS 69 HD1 HIS 69 16.754 -4.470 -0.260 563 HD2 HIS 69 HD2 HIS 69 17.374 -6.062 3.531 564 HE1 HIS 69 HE1 HIS 69 17.828 -6.716 -0.632 565 HE2 HIS 69 HE2 HIS 69 18.287 -7.620 1.675 566 H ASP 70 H ASP 70 14.487 -6.308 3.469 567 HA ASP 70 HA ASP 70 13.237 -6.850 0.987 568 HB2 ASP 70 HB2 ASP 70 14.392 -8.546 2.420 569 HB3 ASP 70 HB3 ASP 70 13.026 -8.477 3.529 570 H VAL 71 H VAL 71 11.990 -5.873 4.113 571 HA VAL 71 HA VAL 71 9.297 -6.621 3.655 572 HB VAL 71 HB VAL 71 8.670 -5.284 5.538 573 HG11 VAL 71 HG11 VAL 71 9.773 -7.360 6.064 574 HG12 VAL 71 HG12 VAL 71 10.212 -6.137 7.258 575 HG13 VAL 71 HG13 VAL 71 11.351 -6.577 5.985 576 HG21 VAL 71 HG21 VAL 71 11.399 -4.018 5.370 577 HG22 VAL 71 HG22 VAL 71 10.258 -3.795 6.694 578 HG23 VAL 71 HG23 VAL 71 9.849 -3.230 5.076 579 H ALA 72 H ALA 72 11.162 -3.782 2.819 580 HA ALA 72 HA ALA 72 9.102 -1.995 2.221 581 HB1 ALA 72 HB1 ALA 72 11.474 -1.365 2.319 582 HB2 ALA 72 HB2 ALA 72 10.717 -0.844 0.814 583 HB3 ALA 72 HB3 ALA 72 11.767 -2.262 0.828 584 H GLN 73 H GLN 73 10.625 -4.493 0.248 585 HA GLN 73 HA GLN 73 9.210 -4.033 -2.131 586 HB2 GLN 73 HB2 GLN 73 10.519 -6.483 -0.966 587 HB3 GLN 73 HB3 GLN 73 9.829 -6.445 -2.568 588 HG2 GLN 73 HG2 GLN 73 11.687 -4.262 -2.042 589 HG3 GLN 73 HG3 GLN 73 12.411 -5.864 -1.938 590 HE21 GLN 73 HE21 GLN 73 10.923 -3.509 -4.015 591 HE22 GLN 73 HE22 GLN 73 11.300 -4.296 -5.511 592 H ARG 74 H ARG 74 8.602 -6.172 0.614 593 HA ARG 74 HA ARG 74 6.252 -7.378 -0.339 594 HB2 ARG 74 HB2 ARG 74 6.776 -6.736 2.565 595 HB3 ARG 74 HB3 ARG 74 5.849 -8.077 1.907 596 HG2 ARG 74 HG2 ARG 74 8.831 -7.701 1.716 597 HG3 ARG 74 HG3 ARG 74 7.978 -8.854 2.743 598 HD2 ARG 74 HD2 ARG 74 7.268 -10.129 0.902 599 HD3 ARG 74 HD3 ARG 74 7.670 -8.849 -0.244 600 HE ARG 74 HE ARG 74 9.997 -9.678 1.146 601 HH11 ARG 74 HH11 ARG 74 7.752 -10.793 -1.301 602 HH12 ARG 74 HH12 ARG 74 8.943 -11.723 -2.149 603 HH21 ARG 74 HH21 ARG 74 11.566 -10.871 0.026 604 HH22 ARG 74 HH22 ARG 74 11.116 -11.772 -1.398 605 H LEU 75 H LEU 75 6.818 -4.320 1.279 606 HA LEU 75 HA LEU 75 4.074 -3.706 1.741 607 HB2 LEU 75 HB2 LEU 75 6.503 -1.918 1.632 608 HB3 LEU 75 HB3 LEU 75 4.917 -1.415 2.182 609 HG LEU 75 HG LEU 75 6.637 -3.519 3.498 610 HD11 LEU 75 HD11 LEU 75 7.539 -1.275 3.779 611 HD12 LEU 75 HD12 LEU 75 6.869 -1.878 5.295 612 HD13 LEU 75 HD13 LEU 75 5.967 -0.701 4.338 613 HD21 LEU 75 HD21 LEU 75 4.971 -3.444 5.285 614 HD22 LEU 75 HD22 LEU 75 4.253 -3.966 3.761 615 HD23 LEU 75 HD23 LEU 75 4.001 -2.317 4.336 616 H GLN 76 H GLN 76 6.443 -2.612 -0.678 617 HA GLN 76 HA GLN 76 4.810 -0.746 -1.961 618 HB2 GLN 76 HB2 GLN 76 6.360 -0.918 -3.843 619 HB3 GLN 76 HB3 GLN 76 7.214 -0.804 -2.315 620 HG2 GLN 76 HG2 GLN 76 7.658 -3.175 -2.362 621 HG3 GLN 76 HG3 GLN 76 6.705 -3.350 -3.832 622 HE21 GLN 76 HE21 GLN 76 7.526 -2.575 -5.771 623 HE22 GLN 76 HE22 GLN 76 9.201 -2.213 -5.978 624 H GLN 77 H GLN 77 5.182 -4.190 -2.515 625 HA GLN 77 HA GLN 77 3.956 -4.442 -4.971 626 HB2 GLN 77 HB2 GLN 77 4.018 -6.335 -2.633 627 HB3 GLN 77 HB3 GLN 77 3.292 -6.767 -4.177 628 HG2 GLN 77 HG2 GLN 77 5.581 -6.025 -5.155 629 HG3 GLN 77 HG3 GLN 77 6.152 -6.264 -3.503 630 HE21 GLN 77 HE21 GLN 77 4.759 -7.781 -6.305 631 HE22 GLN 77 HE22 GLN 77 5.172 -9.412 -5.875 632 H ARG 78 H ARG 78 2.436 -3.847 -1.877 633 HA ARG 78 HA ARG 78 -0.192 -4.575 -2.617 634 HB2 ARG 78 HB2 ARG 78 0.256 -4.226 -0.293 635 HB3 ARG 78 HB3 ARG 78 0.821 -2.587 -0.584 636 HG2 ARG 78 HG2 ARG 78 -1.434 -1.926 -1.253 637 HG3 ARG 78 HG3 ARG 78 -2.006 -3.566 -0.946 638 HD2 ARG 78 HD2 ARG 78 -1.565 -3.360 1.384 639 HD3 ARG 78 HD3 ARG 78 -0.699 -1.842 1.148 640 HE ARG 78 HE ARG 78 -3.280 -1.466 0.185 641 HH11 ARG 78 HH11 ARG 78 -1.800 -2.273 3.219 642 HH12 ARG 78 HH12 ARG 78 -2.941 -1.377 4.188 643 HH21 ARG 78 HH21 ARG 78 -4.832 -0.291 1.462 644 HH22 ARG 78 HH22 ARG 78 -4.646 -0.254 3.190 645 H VAL 79 H VAL 79 1.439 -1.396 -2.648 646 HA VAL 79 HA VAL 79 -0.857 -0.088 -3.715 647 HB VAL 79 HB VAL 79 0.797 1.123 -2.349 648 HG11 VAL 79 HG11 VAL 79 2.840 0.098 -3.154 649 HG12 VAL 79 HG12 VAL 79 2.920 1.854 -3.315 650 HG13 VAL 79 HG13 VAL 79 2.612 0.850 -4.733 651 HG21 VAL 79 HG21 VAL 79 -0.682 2.384 -3.800 652 HG22 VAL 79 HG22 VAL 79 0.464 2.228 -5.134 653 HG23 VAL 79 HG23 VAL 79 0.898 3.165 -3.703 654 H THR 80 H THR 80 2.064 -1.467 -5.114 655 HA THR 80 HA THR 80 1.742 -0.463 -7.724 656 HB THR 80 HB THR 80 3.002 -3.096 -6.928 657 HG1 THR 80 HG1 THR 80 4.782 -1.144 -7.321 658 HG21 THR 80 HG21 THR 80 4.365 -2.781 -8.928 659 HG22 THR 80 HG22 THR 80 3.515 -1.277 -9.283 660 HG23 THR 80 HG23 THR 80 2.650 -2.811 -9.347 661 H ALA 81 H ALA 81 0.627 -3.484 -6.207 662 HA ALA 81 HA ALA 81 -0.577 -4.524 -8.557 663 HB1 ALA 81 HB1 ALA 81 0.081 -5.955 -6.685 664 HB2 ALA 81 HB2 ALA 81 -1.626 -6.154 -7.083 665 HB3 ALA 81 HB3 ALA 81 -1.154 -5.202 -5.676 666 H ILE 82 H ILE 82 -1.933 -2.879 -5.697 667 HA ILE 82 HA ILE 82 -4.617 -2.986 -6.495 668 HB ILE 82 HB ILE 82 -3.193 -1.024 -4.699 669 HG12 ILE 82 HG12 ILE 82 -4.988 -3.395 -4.132 670 HG13 ILE 82 HG13 ILE 82 -3.242 -3.346 -3.911 671 HG21 ILE 82 HG21 ILE 82 -6.161 -1.351 -5.134 672 HG22 ILE 82 HG22 ILE 82 -5.187 0.050 -5.584 673 HG23 ILE 82 HG23 ILE 82 -5.410 -0.361 -3.882 674 HD11 ILE 82 HD11 ILE 82 -4.394 -3.104 -1.799 675 HD12 ILE 82 HD12 ILE 82 -5.268 -1.700 -2.415 676 HD13 ILE 82 HD13 ILE 82 -3.519 -1.623 -2.197 677 H MET 83 H MET 83 -2.111 -0.566 -7.151 678 HA MET 83 HA MET 83 -3.796 1.356 -8.318 679 HB2 MET 83 HB2 MET 83 -1.474 1.816 -7.614 680 HB3 MET 83 HB3 MET 83 -0.887 0.817 -8.937 681 HG2 MET 83 HG2 MET 83 -1.816 2.341 -10.555 682 HG3 MET 83 HG3 MET 83 -2.542 3.306 -9.271 683 HE1 MET 83 HE1 MET 83 -0.213 3.243 -7.082 684 HE2 MET 83 HE2 MET 83 -1.127 4.696 -7.494 685 HE3 MET 83 HE3 MET 83 0.635 4.743 -7.471 686 H ARG 84 H ARG 84 -2.400 -1.583 -9.592 687 HA ARG 84 HA ARG 84 -2.903 -1.008 -12.327 688 HB2 ARG 84 HB2 ARG 84 -2.469 -3.594 -10.841 689 HB3 ARG 84 HB3 ARG 84 -2.755 -3.536 -12.577 690 HG2 ARG 84 HG2 ARG 84 -0.497 -2.171 -11.122 691 HG3 ARG 84 HG3 ARG 84 -0.373 -3.654 -12.076 692 HD2 ARG 84 HD2 ARG 84 -0.935 -2.499 -14.084 693 HD3 ARG 84 HD3 ARG 84 -1.371 -1.042 -13.194 694 HE ARG 84 HE ARG 84 1.279 -1.535 -12.603 695 HH11 ARG 84 HH11 ARG 84 -0.613 -0.874 -15.481 696 HH12 ARG 84 HH12 ARG 84 0.696 -0.072 -16.296 697 HH21 ARG 84 HH21 ARG 84 2.981 -0.465 -13.667 698 HH22 ARG 84 HH22 ARG 84 2.736 0.153 -15.281 699 H TYR 85 H TYR 85 -4.788 -2.641 -9.790 700 HA TYR 85 HA TYR 85 -7.028 -3.187 -11.447 701 HB2 TYR 85 HB2 TYR 85 -6.892 -2.784 -8.448 702 HB3 TYR 85 HB3 TYR 85 -8.273 -3.441 -9.318 703 HD1 TYR 85 HD1 TYR 85 -7.866 -5.598 -10.691 704 HD2 TYR 85 HD2 TYR 85 -5.230 -4.205 -7.657 705 HE1 TYR 85 HE1 TYR 85 -6.925 -7.863 -10.476 706 HE2 TYR 85 HE2 TYR 85 -4.280 -6.460 -7.438 707 HH TYR 85 HH TYR 85 -5.045 -8.821 -7.883 708 H ALA 86 H ALA 86 -5.985 -0.442 -9.548 709 HA ALA 86 HA ALA 86 -8.316 1.109 -9.662 710 HB1 ALA 86 HB1 ALA 86 -6.412 1.606 -8.192 711 HB2 ALA 86 HB2 ALA 86 -6.879 3.004 -9.160 712 HB3 ALA 86 HB3 ALA 86 -5.454 2.062 -9.601 713 H VAL 87 H VAL 87 -5.599 0.820 -11.912 714 HA VAL 87 HA VAL 87 -6.610 2.783 -13.732 715 HB VAL 87 HB VAL 87 -4.563 0.601 -14.213 716 HG11 VAL 87 HG11 VAL 87 -3.856 1.948 -16.128 717 HG12 VAL 87 HG12 VAL 87 -5.174 3.076 -15.823 718 HG13 VAL 87 HG13 VAL 87 -5.528 1.417 -16.298 719 HG21 VAL 87 HG21 VAL 87 -4.223 3.504 -13.466 720 HG22 VAL 87 HG22 VAL 87 -2.913 2.421 -13.940 721 HG23 VAL 87 HG23 VAL 87 -3.831 2.104 -12.467 722 H GLN 88 H GLN 88 -6.894 -0.702 -13.377 723 HA GLN 88 HA GLN 88 -8.120 -1.142 -15.905 724 HB2 GLN 88 HB2 GLN 88 -6.984 -2.909 -14.555 725 HB3 GLN 88 HB3 GLN 88 -8.324 -2.846 -13.418 726 HG2 GLN 88 HG2 GLN 88 -9.847 -3.679 -15.024 727 HG3 GLN 88 HG3 GLN 88 -8.688 -3.467 -16.335 728 HE21 GLN 88 HE21 GLN 88 -7.002 -4.922 -16.560 729 HE22 GLN 88 HE22 GLN 88 -7.019 -6.470 -15.780 730 H ASN 89 H ASN 89 -9.300 -0.232 -12.740 731 HA ASN 89 HA ASN 89 -12.062 -0.342 -13.645 732 HB2 ASN 89 HB2 ASN 89 -10.811 0.526 -11.039 733 HB3 ASN 89 HB3 ASN 89 -12.531 0.687 -11.372 734 HD21 ASN 89 HD21 ASN 89 -12.690 -1.766 -12.911 735 HD22 ASN 89 HD22 ASN 89 -12.596 -3.063 -11.762 736 H ASP 90 H ASP 90 -9.496 1.715 -13.939 737 HA ASP 90 HA ASP 90 -9.228 3.755 -14.869 738 HB2 ASP 90 HB2 ASP 90 -12.055 3.215 -15.778 739 HB3 ASP 90 HB3 ASP 90 -11.075 4.553 -16.364 740 H TYR 91 H TYR 91 -10.201 3.732 -12.076 741 HA TYR 91 HA TYR 91 -11.829 6.165 -12.100 742 HB2 TYR 91 HB2 TYR 91 -12.251 5.800 -9.735 743 HB3 TYR 91 HB3 TYR 91 -12.650 4.368 -10.669 744 HD1 TYR 91 HD2 TYR 91 -10.339 5.809 -8.204 745 HD2 TYR 91 HD1 TYR 91 -11.442 2.307 -10.350 746 HE1 TYR 91 HE2 TYR 91 -8.989 4.446 -6.668 747 HE2 TYR 91 HE1 TYR 91 -10.102 0.937 -8.813 748 HH TYR 91 HH TYR 91 -8.910 2.093 -5.885 749 H ILE 92 H ILE 92 -8.628 5.380 -12.036 750 HA ILE 92 HA ILE 92 -8.019 7.985 -10.799 751 HB ILE 92 HB ILE 92 -5.672 7.240 -10.610 752 HG12 ILE 92 HG12 ILE 92 -6.741 4.514 -11.388 753 HG13 ILE 92 HG13 ILE 92 -5.738 5.534 -12.416 754 HG21 ILE 92 HG21 ILE 92 -7.704 5.490 -9.234 755 HG22 ILE 92 HG22 ILE 92 -7.134 7.072 -8.698 756 HG23 ILE 92 HG23 ILE 92 -6.028 5.698 -8.724 757 HD11 ILE 92 HD11 ILE 92 -4.424 3.797 -11.349 758 HD12 ILE 92 HD12 ILE 92 -4.933 4.370 -9.760 759 HD13 ILE 92 HD13 ILE 92 -3.928 5.394 -10.786 760 H ASP 93 H ASP 93 -8.052 6.141 -13.653 761 HA ASP 93 HA ASP 93 -7.860 6.699 -15.831 762 HB2 ASP 93 HB2 ASP 93 -8.792 8.911 -15.063 763 HB3 ASP 93 HB3 ASP 93 -7.136 9.501 -14.977 764 H SER 94 H SER 94 -5.298 8.441 -14.056 765 HA SER 94 HA SER 94 -3.398 7.704 -16.146 766 HB2 SER 94 HB2 SER 94 -3.534 10.053 -15.224 767 HB3 SER 94 HB3 SER 94 -2.908 9.422 -13.702 768 HG SER 94 HG SER 94 -1.617 9.908 -16.090 769 H ASN 95 H ASN 95 -1.076 7.287 -15.082 770 HA ASN 95 HA ASN 95 -1.390 5.183 -13.071 771 HB2 ASN 95 HB2 ASN 95 -1.082 4.166 -15.276 772 HB3 ASN 95 HB3 ASN 95 0.365 5.132 -15.538 773 HD21 ASN 95 HD21 ASN 95 -0.519 3.647 -12.508 774 HD22 ASN 95 HD22 ASN 95 0.788 2.533 -12.470 775 HA PRO 96 HA PRO 96 1.445 8.414 -11.379 776 HB2 PRO 96 HB2 PRO 96 0.725 6.841 -8.958 777 HB3 PRO 96 HB3 PRO 96 0.770 8.593 -9.191 778 HG2 PRO 96 HG2 PRO 96 -1.555 7.314 -9.107 779 HG3 PRO 96 HG3 PRO 96 -1.295 8.630 -10.267 780 HD2 PRO 96 HD2 PRO 96 -1.291 5.674 -10.722 781 HD3 PRO 96 HD3 PRO 96 -1.940 6.973 -11.746 782 H ALA 97 H ALA 97 1.379 5.052 -10.144 783 HA ALA 97 HA ALA 97 4.307 5.083 -10.110 784 HB1 ALA 97 HB1 ALA 97 3.195 4.435 -8.019 785 HB2 ALA 97 HB2 ALA 97 4.180 3.129 -8.678 786 HB3 ALA 97 HB3 ALA 97 2.427 3.086 -8.857 787 H SER 98 H SER 98 4.553 4.875 -12.332 788 HA SER 98 HA SER 98 3.411 2.677 -13.774 789 HB2 SER 98 HB2 SER 98 3.971 4.913 -14.783 790 HB3 SER 98 HB3 SER 98 5.677 4.498 -14.621 791 HG SER 98 HG SER 98 3.723 3.091 -16.130 792 H ASP 99 H ASP 99 6.250 3.234 -11.920 793 HA ASP 99 HA ASP 99 7.278 0.593 -12.722 794 HB2 ASP 99 HB2 ASP 99 8.802 2.275 -13.552 795 HB3 ASP 99 HB3 ASP 99 8.834 3.079 -11.985 796 H MET 100 H MET 100 7.836 2.981 -10.160 797 HA MET 100 HA MET 100 7.903 2.876 -7.907 798 HB2 MET 100 HB2 MET 100 5.484 2.051 -8.558 799 HB3 MET 100 HB3 MET 100 6.059 0.532 -7.896 800 HG2 MET 100 HG2 MET 100 5.991 3.163 -6.440 801 HG3 MET 100 HG3 MET 100 4.825 1.858 -6.256 802 HE1 MET 100 HE1 MET 100 6.762 1.809 -2.851 803 HE2 MET 100 HE2 MET 100 5.176 1.881 -3.619 804 HE3 MET 100 HE3 MET 100 6.312 3.216 -3.817 805 H ALA 101 H ALA 101 10.067 2.219 -7.859 806 HA ALA 101 HA ALA 101 11.822 0.971 -7.150 807 HB1 ALA 101 HB1 ALA 101 11.440 -0.634 -5.393 808 HB2 ALA 101 HB2 ALA 101 9.722 -0.700 -5.790 809 HB3 ALA 101 HB3 ALA 101 10.422 0.785 -5.143 810 H GLY 102 H GLY 102 11.015 0.423 -9.716 811 HA2 GLY 102 HA2 GLY 102 10.869 -2.379 -10.198 812 HA3 GLY 102 HA3 GLY 102 11.254 -1.134 -11.378 813 H ALA 103 H ALA 103 12.389 -3.834 -10.309 814 HA ALA 103 HA ALA 103 14.393 -4.889 -10.343 815 HB1 ALA 103 HB1 ALA 103 14.807 -3.594 -12.387 816 HB2 ALA 103 HB2 ALA 103 16.283 -3.879 -11.467 817 HB3 ALA 103 HB3 ALA 103 15.502 -2.298 -11.413 818 H LEU 104 H LEU 104 14.760 -5.293 -8.252 819 HA LEU 104 HA LEU 104 15.560 -3.199 -6.433 820 HB2 LEU 104 HB2 LEU 104 14.053 -5.181 -5.886 821 HB3 LEU 104 HB3 LEU 104 15.499 -6.167 -5.893 822 HG LEU 104 HG LEU 104 14.644 -5.421 -3.627 823 HD11 LEU 104 HD11 LEU 104 16.872 -4.974 -2.726 824 HD12 LEU 104 HD12 LEU 104 17.472 -4.687 -4.360 825 HD13 LEU 104 HD13 LEU 104 16.892 -6.289 -3.901 826 HD21 LEU 104 HD21 LEU 104 14.058 -3.137 -4.205 827 HD22 LEU 104 HD22 LEU 104 15.750 -2.772 -4.546 828 HD23 LEU 104 HD23 LEU 104 15.246 -3.162 -2.900 829 H SER 105 H SER 105 17.040 -6.270 -7.481 830 HA SER 105 HA SER 105 19.645 -5.018 -7.516 831 HB2 SER 105 HB2 SER 105 19.447 -5.668 -5.164 832 HB3 SER 105 HB3 SER 105 19.024 -7.314 -5.637 833 HG SER 105 HG SER 105 21.470 -6.076 -6.389 834 H THR 106 H THR 106 18.485 -8.376 -7.257 835 HA THR 106 HA THR 106 20.078 -9.013 -9.610 836 HB THR 106 HB THR 106 19.543 -11.410 -8.878 837 HG1 THR 106 HG1 THR 106 19.105 -11.318 -6.453 838 HG21 THR 106 HG21 THR 106 21.098 -9.604 -7.024 839 HG22 THR 106 HG22 THR 106 21.711 -10.335 -8.508 840 HG23 THR 106 HG23 THR 106 21.270 -11.356 -7.139 841 H THR 107 H THR 107 18.944 -8.608 -11.399 842 HA THR 107 HA THR 107 16.140 -9.139 -11.638 843 HB THR 107 HB THR 107 16.694 -8.640 -14.127 844 HG1 THR 107 HG1 THR 107 18.681 -7.673 -14.473 845 HG21 THR 107 HG21 THR 107 15.585 -7.045 -12.655 846 HG22 THR 107 HG22 THR 107 16.770 -6.221 -13.669 847 HG23 THR 107 HG23 THR 107 17.142 -6.563 -11.979 848 H LYS 108 H LYS 108 15.137 -10.823 -12.638 849 HA LYS 108 HA LYS 108 16.787 -13.155 -13.229 850 HB2 LYS 108 HB2 LYS 108 14.256 -12.746 -12.016 851 HB3 LYS 108 HB3 LYS 108 13.975 -13.647 -13.499 852 HG2 LYS 108 HG2 LYS 108 14.282 -15.125 -11.583 853 HG3 LYS 108 HG3 LYS 108 15.548 -15.353 -12.790 854 HD2 LYS 108 HD2 LYS 108 16.473 -15.356 -10.532 855 HD3 LYS 108 HD3 LYS 108 17.070 -13.980 -11.456 856 HE2 LYS 108 HE2 LYS 108 15.502 -12.510 -10.351 857 HE3 LYS 108 HE3 LYS 108 14.781 -13.873 -9.499 858 HZ1 LYS 108 HZ1 LYS 108 16.745 -14.178 -8.241 859 HZ2 LYS 108 HZ2 LYS 108 16.409 -12.514 -8.193 860 HZ3 LYS 108 HZ3 LYS 108 17.632 -13.105 -9.207 861 H ALA 109 H ALA 109 15.160 -14.491 -14.989 862 HA ALA 109 HA ALA 109 15.661 -12.900 -17.400 863 HB1 ALA 109 HB1 ALA 109 16.827 -15.039 -17.245 864 HB2 ALA 109 HB2 ALA 109 15.697 -15.024 -18.598 865 HB3 ALA 109 HB3 ALA 109 15.282 -15.877 -17.113 866 H ARG 110 H ARG 110 13.172 -14.848 -15.819 867 HA ARG 110 HA ARG 110 11.000 -15.252 -16.261 868 HB2 ARG 110 HB2 ARG 110 10.857 -12.817 -15.776 869 HB3 ARG 110 HB3 ARG 110 11.019 -12.491 -17.499 870 HG2 ARG 110 HG2 ARG 110 8.690 -12.394 -16.733 871 HG3 ARG 110 HG3 ARG 110 8.947 -13.643 -17.952 872 HD2 ARG 110 HD2 ARG 110 7.650 -14.739 -16.382 873 HD3 ARG 110 HD3 ARG 110 9.281 -15.212 -15.923 874 HE ARG 110 HE ARG 110 7.528 -13.334 -14.495 875 HH11 ARG 110 HH11 ARG 110 10.534 -15.142 -14.655 876 HH12 ARG 110 HH12 ARG 110 10.901 -14.933 -12.976 877 HH21 ARG 110 HH21 ARG 110 8.018 -13.067 -12.268 878 HH22 ARG 110 HH22 ARG 110 9.489 -13.735 -11.621 879 H HIS 111 H HIS 111 11.769 -16.878 -17.724 880 HA HIS 111 HA HIS 111 11.732 -16.278 -20.566 881 HB2 HIS 111 HB2 HIS 111 13.351 -17.885 -19.308 882 HB3 HIS 111 HB3 HIS 111 12.015 -19.024 -19.366 883 HD1 HIS 111 HD1 HIS 111 12.724 -20.686 -21.069 884 HD2 HIS 111 HD2 HIS 111 13.338 -16.770 -22.328 885 HE1 HIS 111 HE1 HIS 111 13.566 -20.855 -23.436 886 HE2 HIS 111 HE2 HIS 111 14.103 -18.484 -24.108 887 H TYR 112 H TYR 112 9.828 -16.179 -21.555 888 HA TYR 112 HA TYR 112 7.659 -16.481 -22.106 889 HB2 TYR 112 HB2 TYR 112 8.331 -18.800 -22.593 890 HB3 TYR 112 HB3 TYR 112 8.030 -19.243 -20.917 891 HD1 TYR 112 HD1 TYR 112 6.333 -17.893 -23.943 892 HD2 TYR 112 HD2 TYR 112 5.916 -20.003 -20.274 893 HE1 TYR 112 HE1 TYR 112 3.997 -18.408 -24.511 894 HE2 TYR 112 HE2 TYR 112 3.582 -20.527 -20.832 895 HH TYR 112 HH TYR 112 1.782 -19.605 -22.249 896 HA PRO 113 HA PRO 113 6.351 -15.358 -17.866 897 HB2 PRO 113 HB2 PRO 113 5.155 -13.035 -18.573 898 HB3 PRO 113 HB3 PRO 113 6.894 -13.162 -18.284 899 HG2 PRO 113 HG2 PRO 113 5.400 -13.133 -20.871 900 HG3 PRO 113 HG3 PRO 113 6.916 -12.319 -20.441 901 HD2 PRO 113 HD2 PRO 113 6.820 -14.642 -21.861 902 HD3 PRO 113 HD3 PRO 113 8.173 -14.201 -20.804 903 H LEU 114 H LEU 114 4.324 -15.285 -16.945 904 HA LEU 114 HA LEU 114 2.109 -16.158 -18.693 905 HB2 LEU 114 HB2 LEU 114 2.991 -17.846 -17.054 906 HB3 LEU 114 HB3 LEU 114 2.516 -16.765 -15.760 907 HG LEU 114 HG LEU 114 0.147 -16.954 -16.581 908 HD11 LEU 114 HD11 LEU 114 1.313 -19.182 -18.246 909 HD12 LEU 114 HD12 LEU 114 0.643 -17.671 -18.860 910 HD13 LEU 114 HD13 LEU 114 -0.402 -18.828 -18.037 911 HD21 LEU 114 HD21 LEU 114 -0.203 -19.170 -15.600 912 HD22 LEU 114 HD22 LEU 114 0.943 -18.213 -14.655 913 HD23 LEU 114 HD23 LEU 114 1.528 -19.494 -15.720 914 H GLU 115 H GLU 115 3.321 -13.795 -16.666 915 HA GLU 115 HA GLU 115 0.929 -12.924 -15.372 916 HB2 GLU 115 HB2 GLU 115 3.525 -11.424 -15.744 917 HB3 GLU 115 HB3 GLU 115 2.291 -11.104 -14.535 918 HG2 GLU 115 HG2 GLU 115 3.712 -12.268 -13.230 919 HG3 GLU 115 HG3 GLU 115 2.838 -13.640 -13.907 920 H HIS 116 H HIS 116 0.434 -13.018 -18.150 921 HA HIS 116 HA HIS 116 -0.097 -10.157 -18.611 922 HB2 HIS 116 HB2 HIS 116 0.916 -12.185 -20.568 923 HB3 HIS 116 HB3 HIS 116 -0.099 -10.865 -21.134 924 HD1 HIS 116 HD1 HIS 116 3.326 -11.707 -20.599 925 HD2 HIS 116 HD2 HIS 116 1.068 -8.229 -20.287 926 HE1 HIS 116 HE1 HIS 116 4.985 -9.813 -20.657 927 HE2 HIS 116 HE2 HIS 116 3.568 -7.731 -20.755 928 H HIS 117 H HIS 117 -1.435 -13.167 -18.089 929 HA HIS 117 HA HIS 117 -4.029 -12.091 -18.802 930 HB2 HIS 117 HB2 HIS 117 -4.804 -13.981 -20.056 931 HB3 HIS 117 HB3 HIS 117 -3.322 -13.409 -20.801 932 HD1 HIS 117 HD1 HIS 117 -4.950 -16.415 -20.081 933 HD2 HIS 117 HD2 HIS 117 -1.014 -15.133 -19.672 934 HE1 HIS 117 HE1 HIS 117 -3.568 -18.507 -19.971 935 HE2 HIS 117 HE2 HIS 117 -1.186 -17.703 -19.978 936 H HIS 118 H HIS 118 -5.361 -12.335 -17.189 937 HA HIS 118 HA HIS 118 -5.307 -14.689 -15.494 938 HB2 HIS 118 HB2 HIS 118 -3.576 -13.265 -14.472 939 HB3 HIS 118 HB3 HIS 118 -4.714 -11.928 -14.387 940 HD1 HIS 118 HD1 HIS 118 -6.451 -11.953 -12.483 941 HD2 HIS 118 HD2 HIS 118 -3.933 -15.277 -12.530 942 HE1 HIS 118 HE1 HIS 118 -6.774 -13.090 -10.262 943 HE2 HIS 118 HE2 HIS 118 -5.223 -15.080 -10.288 944 H HIS 119 H HIS 119 -7.386 -15.204 -15.251 945 HA HIS 119 HA HIS 119 -9.253 -13.303 -14.258 946 HB2 HIS 119 HB2 HIS 119 -10.921 -13.422 -16.050 947 HB3 HIS 119 HB3 HIS 119 -9.431 -12.681 -16.609 948 HD1 HIS 119 HD1 HIS 119 -11.704 -15.551 -17.190 949 HD2 HIS 119 HD2 HIS 119 -7.985 -14.229 -18.498 950 HE1 HIS 119 HE1 HIS 119 -11.209 -16.872 -19.276 951 HE2 HIS 119 HE2 HIS 119 -9.094 -15.840 -20.185 952 H HIS 120 H HIS 120 -9.975 -14.456 -12.671 953 HA HIS 120 HA HIS 120 -11.721 -16.618 -13.010 954 HB2 HIS 120 HB2 HIS 120 -9.609 -17.867 -13.455 955 HB3 HIS 120 HB3 HIS 120 -9.018 -17.389 -11.868 956 HD1 HIS 120 HD1 HIS 120 -9.496 -18.970 -10.017 957 HD2 HIS 120 HD2 HIS 120 -12.035 -19.541 -13.263 958 HE1 HIS 120 HE1 HIS 120 -10.855 -21.015 -9.467 959 HE2 HIS 120 HE2 HIS 120 -12.202 -21.470 -11.549 960 H HIS 121 H HIS 121 -13.062 -16.456 -11.326 961 HA HIS 121 HA HIS 121 -12.038 -15.119 -8.913 962 HB2 HIS 121 HB2 HIS 121 -13.820 -13.904 -10.156 963 HB3 HIS 121 HB3 HIS 121 -14.897 -15.273 -9.900 964 HD1 HIS 121 HD1 HIS 121 -16.014 -15.474 -7.629 965 HD2 HIS 121 HD2 HIS 121 -13.248 -12.391 -7.836 966 HE1 HIS 121 HE1 HIS 121 -16.338 -14.138 -5.527 967 HE2 HIS 121 HE2 HIS 121 -14.452 -12.464 -5.553 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -13.287 -10.258 11.564 2 H2 MET 1 H2 MET 1 -14.803 -10.952 11.304 3 H3 MET 1 H3 MET 1 -14.482 -10.126 12.755 4 HA MET 1 HA MET 1 -15.813 -8.746 11.353 5 HB2 MET 1 HB2 MET 1 -14.056 -7.677 12.731 6 HB3 MET 1 HB3 MET 1 -12.923 -7.825 11.396 7 HG2 MET 1 HG2 MET 1 -14.384 -6.359 10.046 8 HG3 MET 1 HG3 MET 1 -15.430 -6.158 11.451 9 HE1 MET 1 HE1 MET 1 -13.597 -2.687 11.118 10 HE2 MET 1 HE2 MET 1 -15.156 -3.510 11.141 11 HE3 MET 1 HE3 MET 1 -14.053 -3.750 9.787 12 H GLU 2 H GLU 2 -16.190 -10.201 9.496 13 HA GLU 2 HA GLU 2 -14.341 -10.039 7.291 14 HB2 GLU 2 HB2 GLU 2 -17.029 -11.384 7.565 15 HB3 GLU 2 HB3 GLU 2 -16.048 -11.448 6.109 16 HG2 GLU 2 HG2 GLU 2 -15.569 -13.441 7.193 17 HG3 GLU 2 HG3 GLU 2 -14.208 -12.402 7.603 18 H ASN 3 H ASN 3 -17.064 -8.314 8.387 19 HA ASN 3 HA ASN 3 -17.601 -7.114 5.801 20 HB2 ASN 3 HB2 ASN 3 -19.441 -7.446 7.438 21 HB3 ASN 3 HB3 ASN 3 -18.639 -6.332 8.541 22 HD21 ASN 3 HD21 ASN 3 -20.400 -6.662 5.570 23 HD22 ASN 3 HD22 ASN 3 -20.770 -4.983 5.370 24 H SER 4 H SER 4 -15.575 -6.277 5.296 25 HA SER 4 HA SER 4 -14.876 -3.839 6.783 26 HB2 SER 4 HB2 SER 4 -12.940 -5.874 5.640 27 HB3 SER 4 HB3 SER 4 -12.479 -4.317 6.325 28 HG SER 4 HG SER 4 -13.499 -6.603 7.614 29 H GLY 5 H GLY 5 -15.059 -2.120 5.524 30 HA2 GLY 5 HA2 GLY 5 -13.915 -1.960 2.932 31 HA3 GLY 5 HA3 GLY 5 -15.659 -2.144 2.820 32 H ALA 6 H ALA 6 -13.058 -0.116 4.011 33 HA ALA 6 HA ALA 6 -14.920 2.039 4.648 34 HB1 ALA 6 HB1 ALA 6 -12.949 3.226 5.474 35 HB2 ALA 6 HB2 ALA 6 -11.910 1.934 4.869 36 HB3 ALA 6 HB3 ALA 6 -13.052 1.610 6.174 37 H TYR 7 H TYR 7 -13.913 0.879 1.892 38 HA TYR 7 HA TYR 7 -13.666 1.623 -0.224 39 HB2 TYR 7 HB2 TYR 7 -14.805 4.130 1.002 40 HB3 TYR 7 HB3 TYR 7 -14.437 3.998 -0.716 41 HD1 TYR 7 HD1 TYR 7 -15.346 1.567 -1.661 42 HD2 TYR 7 HD2 TYR 7 -17.061 3.881 1.469 43 HE1 TYR 7 HE1 TYR 7 -17.516 0.495 -2.070 44 HE2 TYR 7 HE2 TYR 7 -19.241 2.809 1.073 45 HH TYR 7 HH TYR 7 -19.614 0.016 -0.740 46 H THR 8 H THR 8 -11.568 1.936 1.856 47 HA THR 8 HA THR 8 -9.929 4.049 0.653 48 HB THR 8 HB THR 8 -9.139 2.420 3.065 49 HG1 THR 8 HG1 THR 8 -11.357 3.889 2.884 50 HG21 THR 8 HG21 THR 8 -8.648 5.306 2.296 51 HG22 THR 8 HG22 THR 8 -7.501 3.983 2.078 52 HG23 THR 8 HG23 THR 8 -7.982 4.477 3.702 53 H PHE 9 H PHE 9 -7.421 3.081 1.025 54 HA PHE 9 HA PHE 9 -6.838 1.492 -1.120 55 HB2 PHE 9 HB2 PHE 9 -5.191 2.786 0.098 56 HB3 PHE 9 HB3 PHE 9 -5.376 1.756 1.508 57 HD1 PHE 9 HD2 PHE 9 -4.431 -0.510 1.516 58 HD2 PHE 9 HD1 PHE 9 -3.827 2.159 -1.741 59 HE1 PHE 9 HE2 PHE 9 -2.539 -1.883 0.752 60 HE2 PHE 9 HE1 PHE 9 -1.930 0.793 -2.509 61 HZ PHE 9 HZ PHE 9 -1.281 -1.226 -1.262 62 H GLU 10 H GLU 10 -7.533 0.441 2.181 63 HA GLU 10 HA GLU 10 -6.757 -2.232 1.824 64 HB2 GLU 10 HB2 GLU 10 -8.364 -2.519 3.897 65 HB3 GLU 10 HB3 GLU 10 -6.803 -1.729 4.037 66 HG2 GLU 10 HG2 GLU 10 -8.203 -0.332 5.220 67 HG3 GLU 10 HG3 GLU 10 -8.103 0.456 3.649 68 H THR 11 H THR 11 -9.803 -0.620 1.196 69 HA THR 11 HA THR 11 -11.378 -2.955 0.942 70 HB THR 11 HB THR 11 -11.764 -0.253 -0.361 71 HG1 THR 11 HG1 THR 11 -11.662 -0.500 2.075 72 HG21 THR 11 HG21 THR 11 -13.725 -2.497 0.132 73 HG22 THR 11 HG22 THR 11 -13.130 -1.962 -1.438 74 HG23 THR 11 HG23 THR 11 -14.141 -0.891 -0.467 75 H ILE 12 H ILE 12 -9.522 -1.044 -1.402 76 HA ILE 12 HA ILE 12 -10.315 -2.655 -3.634 77 HB ILE 12 HB ILE 12 -8.154 -0.570 -3.307 78 HG12 ILE 12 HG12 ILE 12 -9.610 0.582 -5.070 79 HG13 ILE 12 HG13 ILE 12 -10.824 -0.640 -4.713 80 HG21 ILE 12 HG21 ILE 12 -7.325 -2.186 -4.910 81 HG22 ILE 12 HG22 ILE 12 -7.780 -0.693 -5.731 82 HG23 ILE 12 HG23 ILE 12 -8.838 -2.103 -5.813 83 HD11 ILE 12 HD11 ILE 12 -9.671 1.326 -2.748 84 HD12 ILE 12 HD12 ILE 12 -10.904 0.115 -2.398 85 HD13 ILE 12 HD13 ILE 12 -11.255 1.431 -3.520 86 H ALA 13 H ALA 13 -7.590 -2.559 -1.426 87 HA ALA 13 HA ALA 13 -5.855 -4.286 -2.783 88 HB1 ALA 13 HB1 ALA 13 -6.139 -3.866 0.188 89 HB2 ALA 13 HB2 ALA 13 -5.156 -2.896 -0.909 90 HB3 ALA 13 HB3 ALA 13 -4.753 -4.589 -0.627 91 H ARG 14 H ARG 14 -8.438 -4.982 -0.466 92 HA ARG 14 HA ARG 14 -7.773 -7.744 -0.196 93 HB2 ARG 14 HB2 ARG 14 -9.811 -7.939 1.074 94 HB3 ARG 14 HB3 ARG 14 -8.967 -6.475 1.541 95 HG2 ARG 14 HG2 ARG 14 -10.496 -5.122 0.277 96 HG3 ARG 14 HG3 ARG 14 -11.286 -6.562 -0.367 97 HD2 ARG 14 HD2 ARG 14 -11.198 -5.761 2.540 98 HD3 ARG 14 HD3 ARG 14 -12.569 -5.540 1.457 99 HE ARG 14 HE ARG 14 -11.496 -8.194 2.204 100 HH11 ARG 14 HH11 ARG 14 -14.170 -6.038 1.506 101 HH12 ARG 14 HH12 ARG 14 -15.385 -7.254 1.719 102 HH21 ARG 14 HH21 ARG 14 -13.097 -9.801 2.556 103 HH22 ARG 14 HH22 ARG 14 -14.779 -9.395 2.339 104 H GLU 15 H GLU 15 -9.736 -5.937 -2.357 105 HA GLU 15 HA GLU 15 -11.651 -7.783 -3.151 106 HB2 GLU 15 HB2 GLU 15 -10.943 -5.228 -3.852 107 HB3 GLU 15 HB3 GLU 15 -10.581 -6.118 -5.321 108 HG2 GLU 15 HG2 GLU 15 -13.215 -6.098 -3.890 109 HG3 GLU 15 HG3 GLU 15 -12.829 -5.167 -5.333 110 H TRP 16 H TRP 16 -8.639 -7.038 -4.892 111 HA TRP 16 HA TRP 16 -8.897 -9.413 -6.508 112 HB2 TRP 16 HB2 TRP 16 -6.780 -8.668 -7.564 113 HB3 TRP 16 HB3 TRP 16 -8.006 -7.404 -7.547 114 HD1 TRP 16 HD1 TRP 16 -7.412 -5.170 -6.340 115 HE1 TRP 16 HE1 TRP 16 -5.335 -4.302 -5.096 116 HE3 TRP 16 HE3 TRP 16 -4.769 -9.528 -6.039 117 HZ2 TRP 16 HZ2 TRP 16 -2.896 -5.338 -4.114 118 HZ3 TRP 16 HZ3 TRP 16 -2.581 -9.507 -4.928 119 HH2 TRP 16 HH2 TRP 16 -1.680 -7.459 -3.983 120 H HIS 17 H HIS 17 -7.295 -8.528 -3.594 121 HA HIS 17 HA HIS 17 -5.058 -10.073 -3.464 122 HB2 HIS 17 HB2 HIS 17 -6.289 -8.498 -1.709 123 HB3 HIS 17 HB3 HIS 17 -6.783 -10.051 -1.041 124 HD1 HIS 17 HD1 HIS 17 -5.122 -11.181 0.475 125 HD2 HIS 17 HD2 HIS 17 -3.382 -8.231 -1.893 126 HE1 HIS 17 HE1 HIS 17 -2.767 -10.930 1.318 127 HE2 HIS 17 HE2 HIS 17 -1.694 -9.272 -0.239 128 H GLU 18 H GLU 18 -8.357 -11.216 -3.252 129 HA GLU 18 HA GLU 18 -8.011 -13.748 -2.158 130 HB2 GLU 18 HB2 GLU 18 -10.216 -12.889 -2.631 131 HB3 GLU 18 HB3 GLU 18 -9.863 -12.800 -4.351 132 HG2 GLU 18 HG2 GLU 18 -9.636 -15.275 -4.368 133 HG3 GLU 18 HG3 GLU 18 -10.177 -15.288 -2.690 134 H SER 19 H SER 19 -7.532 -12.636 -5.479 135 HA SER 19 HA SER 19 -7.027 -15.208 -6.585 136 HB2 SER 19 HB2 SER 19 -6.161 -12.524 -7.675 137 HB3 SER 19 HB3 SER 19 -6.424 -14.015 -8.583 138 HG SER 19 HG SER 19 -8.674 -13.744 -7.491 139 H ASN 20 H ASN 20 -5.126 -12.928 -4.858 140 HA ASN 20 HA ASN 20 -2.583 -13.939 -5.806 141 HB2 ASN 20 HB2 ASN 20 -3.027 -11.524 -5.093 142 HB3 ASN 20 HB3 ASN 20 -3.062 -12.119 -3.440 143 HD21 ASN 20 HD21 ASN 20 -0.911 -14.067 -3.837 144 HD22 ASN 20 HD22 ASN 20 0.543 -13.146 -3.971 145 H LYS 21 H LYS 21 -3.624 -13.450 -2.456 146 HA LYS 21 HA LYS 21 -3.626 -16.082 -1.570 147 HB2 LYS 21 HB2 LYS 21 -1.209 -15.908 -2.384 148 HB3 LYS 21 HB3 LYS 21 -0.946 -14.783 -1.060 149 HG2 LYS 21 HG2 LYS 21 -0.192 -16.927 -0.365 150 HG3 LYS 21 HG3 LYS 21 -1.681 -16.573 0.512 151 HD2 LYS 21 HD2 LYS 21 -2.942 -17.958 -1.052 152 HD3 LYS 21 HD3 LYS 21 -1.468 -18.291 -1.964 153 HE2 LYS 21 HE2 LYS 21 -0.504 -19.381 0.004 154 HE3 LYS 21 HE3 LYS 21 -1.979 -19.048 0.913 155 HZ1 LYS 21 HZ1 LYS 21 -3.209 -20.414 -0.665 156 HZ2 LYS 21 HZ2 LYS 21 -1.969 -21.304 0.078 157 HZ3 LYS 21 HZ3 LYS 21 -1.780 -20.753 -1.515 158 H ARG 22 H ARG 22 -4.211 -16.148 0.555 159 HA ARG 22 HA ARG 22 -4.455 -15.601 2.734 160 HB2 ARG 22 HB2 ARG 22 -2.117 -14.765 2.619 161 HB3 ARG 22 HB3 ARG 22 -2.746 -13.172 2.212 162 HG2 ARG 22 HG2 ARG 22 -4.116 -13.441 4.401 163 HG3 ARG 22 HG3 ARG 22 -2.915 -14.673 4.788 164 HD2 ARG 22 HD2 ARG 22 -2.413 -11.764 4.184 165 HD3 ARG 22 HD3 ARG 22 -2.240 -12.574 5.738 166 HE ARG 22 HE ARG 22 -0.589 -13.659 3.630 167 HH11 ARG 22 HH11 ARG 22 -0.802 -11.364 6.271 168 HH12 ARG 22 HH12 ARG 22 0.920 -11.165 6.408 169 HH21 ARG 22 HH21 ARG 22 1.665 -13.410 3.814 170 HH22 ARG 22 HH22 ARG 22 2.322 -12.342 5.017 171 H TRP 23 H TRP 23 -6.454 -15.119 3.169 172 HA TRP 23 HA TRP 23 -7.195 -12.271 3.081 173 HB2 TRP 23 HB2 TRP 23 -9.605 -13.196 3.293 174 HB3 TRP 23 HB3 TRP 23 -8.827 -13.287 1.716 175 HD1 TRP 23 HD1 TRP 23 -10.207 -15.469 4.504 176 HE1 TRP 23 HE1 TRP 23 -10.178 -17.929 3.735 177 HE3 TRP 23 HE3 TRP 23 -7.520 -14.931 0.185 178 HZ2 TRP 23 HZ2 TRP 23 -9.148 -19.431 1.574 179 HZ3 TRP 23 HZ3 TRP 23 -7.054 -16.928 -1.171 180 HH2 TRP 23 HH2 TRP 23 -7.850 -19.124 -0.482 181 H SER 24 H SER 24 -7.855 -11.377 5.047 182 HA SER 24 HA SER 24 -8.073 -13.078 7.380 183 HB2 SER 24 HB2 SER 24 -5.763 -11.134 7.103 184 HB3 SER 24 HB3 SER 24 -6.170 -12.040 8.560 185 HG SER 24 HG SER 24 -5.998 -13.772 6.555 186 H GLU 25 H GLU 25 -10.077 -11.596 6.532 187 HA GLU 25 HA GLU 25 -10.208 -8.924 7.321 188 HB2 GLU 25 HB2 GLU 25 -12.355 -11.035 7.133 189 HB3 GLU 25 HB3 GLU 25 -12.696 -9.344 7.463 190 HG2 GLU 25 HG2 GLU 25 -13.020 -9.385 5.220 191 HG3 GLU 25 HG3 GLU 25 -11.313 -8.960 5.273 192 H ASP 26 H ASP 26 -10.663 -11.875 9.210 193 HA ASP 26 HA ASP 26 -11.663 -10.638 11.553 194 HB2 ASP 26 HB2 ASP 26 -11.858 -13.029 11.285 195 HB3 ASP 26 HB3 ASP 26 -10.110 -13.207 11.186 196 H HIS 27 H HIS 27 -8.420 -11.149 10.339 197 HA HIS 27 HA HIS 27 -7.085 -10.372 12.761 198 HB2 HIS 27 HB2 HIS 27 -6.115 -10.692 9.917 199 HB3 HIS 27 HB3 HIS 27 -5.061 -10.230 11.245 200 HD1 HIS 27 HD1 HIS 27 -3.614 -12.309 11.138 201 HD2 HIS 27 HD2 HIS 27 -7.661 -13.155 11.640 202 HE1 HIS 27 HE1 HIS 27 -3.742 -14.766 11.663 203 HE2 HIS 27 HE2 HIS 27 -6.199 -15.279 11.867 204 H ARG 28 H ARG 28 -8.382 -8.786 10.000 205 HA ARG 28 HA ARG 28 -6.790 -6.594 9.588 206 HB2 ARG 28 HB2 ARG 28 -8.720 -7.346 8.209 207 HB3 ARG 28 HB3 ARG 28 -9.807 -6.678 9.410 208 HG2 ARG 28 HG2 ARG 28 -7.791 -4.867 8.197 209 HG3 ARG 28 HG3 ARG 28 -9.165 -5.370 7.213 210 HD2 ARG 28 HD2 ARG 28 -10.634 -4.632 9.146 211 HD3 ARG 28 HD3 ARG 28 -9.193 -3.877 9.826 212 HE ARG 28 HE ARG 28 -9.921 -3.146 7.095 213 HH11 ARG 28 HH11 ARG 28 -9.862 -2.311 10.479 214 HH12 ARG 28 HH12 ARG 28 -10.220 -0.632 10.223 215 HH21 ARG 28 HH21 ARG 28 -10.394 -0.937 6.703 216 HH22 ARG 28 HH22 ARG 28 -10.509 0.149 8.059 217 H SER 29 H SER 29 -9.120 -7.050 12.172 218 HA SER 29 HA SER 29 -9.410 -4.333 12.870 219 HB2 SER 29 HB2 SER 29 -10.976 -6.117 13.565 220 HB3 SER 29 HB3 SER 29 -9.738 -6.769 14.639 221 HG SER 29 HG SER 29 -10.455 -4.067 14.870 222 H ARG 30 H ARG 30 -7.304 -6.871 14.300 223 HA ARG 30 HA ARG 30 -6.099 -4.874 16.015 224 HB2 ARG 30 HB2 ARG 30 -4.757 -6.699 16.961 225 HB3 ARG 30 HB3 ARG 30 -6.479 -7.023 17.018 226 HG2 ARG 30 HG2 ARG 30 -4.922 -8.104 14.734 227 HG3 ARG 30 HG3 ARG 30 -4.741 -8.862 16.316 228 HD2 ARG 30 HD2 ARG 30 -7.282 -8.968 16.380 229 HD3 ARG 30 HD3 ARG 30 -7.235 -8.563 14.664 230 HE ARG 30 HE ARG 30 -5.532 -10.683 14.885 231 HH11 ARG 30 HH11 ARG 30 -8.889 -10.139 15.752 232 HH12 ARG 30 HH12 ARG 30 -9.333 -11.809 15.595 233 HH21 ARG 30 HH21 ARG 30 -6.112 -12.872 14.696 234 HH22 ARG 30 HH22 ARG 30 -7.751 -13.369 15.000 235 H VAL 31 H VAL 31 -5.253 -6.606 13.098 236 HA VAL 31 HA VAL 31 -2.476 -6.206 13.116 237 HB VAL 31 HB VAL 31 -4.366 -6.470 10.770 238 HG11 VAL 31 HG11 VAL 31 -2.391 -7.098 9.447 239 HG12 VAL 31 HG12 VAL 31 -1.354 -6.689 10.813 240 HG13 VAL 31 HG13 VAL 31 -2.295 -5.430 10.013 241 HG21 VAL 31 HG21 VAL 31 -4.355 -8.394 12.251 242 HG22 VAL 31 HG22 VAL 31 -2.595 -8.470 12.164 243 HG23 VAL 31 HG23 VAL 31 -3.563 -8.785 10.724 244 H LEU 32 H LEU 32 -5.023 -3.976 12.601 245 HA LEU 32 HA LEU 32 -3.942 -2.066 10.926 246 HB2 LEU 32 HB2 LEU 32 -6.237 -2.020 11.798 247 HB3 LEU 32 HB3 LEU 32 -5.626 -1.619 13.392 248 HG LEU 32 HG LEU 32 -4.730 0.512 12.469 249 HD11 LEU 32 HD11 LEU 32 -5.541 1.266 10.278 250 HD12 LEU 32 HD12 LEU 32 -6.231 -0.332 9.993 251 HD13 LEU 32 HD13 LEU 32 -4.485 -0.140 10.145 252 HD21 LEU 32 HD21 LEU 32 -6.904 0.407 13.595 253 HD22 LEU 32 HD22 LEU 32 -7.685 0.085 12.047 254 HD23 LEU 32 HD23 LEU 32 -6.881 1.630 12.323 255 H ARG 33 H ARG 33 -3.046 -2.816 14.214 256 HA ARG 33 HA ARG 33 -1.739 -0.386 14.844 257 HB2 ARG 33 HB2 ARG 33 -2.330 -2.660 16.220 258 HB3 ARG 33 HB3 ARG 33 -0.604 -2.861 15.978 259 HG2 ARG 33 HG2 ARG 33 -1.920 -0.472 17.247 260 HG3 ARG 33 HG3 ARG 33 -1.143 -1.794 18.116 261 HD2 ARG 33 HD2 ARG 33 0.974 -1.214 16.881 262 HD3 ARG 33 HD3 ARG 33 0.148 0.229 16.290 263 HE ARG 33 HE ARG 33 -0.069 0.067 19.104 264 HH11 ARG 33 HH11 ARG 33 2.223 0.900 16.577 265 HH12 ARG 33 HH12 ARG 33 3.227 1.853 17.632 266 HH21 ARG 33 HH21 ARG 33 1.210 1.359 20.470 267 HH22 ARG 33 HH22 ARG 33 2.641 2.125 19.842 268 H TYR 34 H TYR 34 -0.389 -3.520 13.766 269 HA TYR 34 HA TYR 34 2.199 -2.428 13.254 270 HB2 TYR 34 HB2 TYR 34 1.923 -4.802 13.785 271 HB3 TYR 34 HB3 TYR 34 0.963 -5.035 12.327 272 HD1 TYR 34 HD1 TYR 34 4.311 -3.710 13.318 273 HD2 TYR 34 HD2 TYR 34 2.043 -5.930 10.488 274 HE1 TYR 34 HE1 TYR 34 6.367 -4.200 12.063 275 HE2 TYR 34 HE2 TYR 34 4.093 -6.423 9.217 276 HH TYR 34 HH TYR 34 7.255 -5.670 10.473 277 H LEU 35 H LEU 35 -0.717 -2.758 11.435 278 HA LEU 35 HA LEU 35 0.124 -2.669 8.812 279 HB2 LEU 35 HB2 LEU 35 -2.240 -2.828 9.770 280 HB3 LEU 35 HB3 LEU 35 -2.210 -1.082 9.884 281 HG LEU 35 HG LEU 35 -3.412 -2.045 7.889 282 HD11 LEU 35 HD11 LEU 35 -1.118 -0.170 7.332 283 HD12 LEU 35 HD12 LEU 35 -2.714 0.281 7.929 284 HD13 LEU 35 HD13 LEU 35 -2.538 -0.395 6.310 285 HD21 LEU 35 HD21 LEU 35 -1.856 -3.850 7.398 286 HD22 LEU 35 HD22 LEU 35 -0.606 -2.675 6.992 287 HD23 LEU 35 HD23 LEU 35 -2.059 -2.793 5.999 288 H GLU 36 H GLU 36 -0.559 0.128 10.920 289 HA GLU 36 HA GLU 36 0.084 2.143 9.114 290 HB2 GLU 36 HB2 GLU 36 0.429 2.177 12.115 291 HB3 GLU 36 HB3 GLU 36 0.387 3.593 11.075 292 HG2 GLU 36 HG2 GLU 36 -1.923 3.008 10.433 293 HG3 GLU 36 HG3 GLU 36 -1.867 1.659 11.567 294 H LEU 37 H LEU 37 2.184 0.084 10.940 295 HA LEU 37 HA LEU 37 4.410 1.809 11.137 296 HB2 LEU 37 HB2 LEU 37 3.970 -0.223 12.530 297 HB3 LEU 37 HB3 LEU 37 4.411 -1.209 11.154 298 HG LEU 37 HG LEU 37 6.368 0.798 12.217 299 HD11 LEU 37 HD11 LEU 37 7.252 -0.899 13.733 300 HD12 LEU 37 HD12 LEU 37 5.921 -1.977 13.313 301 HD13 LEU 37 HD13 LEU 37 5.597 -0.467 14.165 302 HD21 LEU 37 HD21 LEU 37 7.990 -0.810 11.377 303 HD22 LEU 37 HD22 LEU 37 6.851 -0.363 10.107 304 HD23 LEU 37 HD23 LEU 37 6.688 -1.914 10.932 305 H TYR 38 H TYR 38 3.624 -0.751 8.770 306 HA TYR 38 HA TYR 38 5.916 0.211 7.183 307 HB2 TYR 38 HB2 TYR 38 6.230 -1.998 6.314 308 HB3 TYR 38 HB3 TYR 38 6.139 -2.111 8.065 309 HD1 TYR 38 HD1 TYR 38 3.334 -2.254 8.686 310 HD2 TYR 38 HD2 TYR 38 5.416 -3.919 5.367 311 HE1 TYR 38 HE1 TYR 38 1.610 -3.996 8.485 312 HE2 TYR 38 HE2 TYR 38 3.694 -5.660 5.154 313 HH TYR 38 HH TYR 38 2.015 -6.770 6.595 314 H ILE 39 H ILE 39 2.553 -0.093 7.244 315 HA ILE 39 HA ILE 39 2.404 0.360 4.355 316 HB ILE 39 HB ILE 39 0.260 -0.792 6.162 317 HG12 ILE 39 HG12 ILE 39 2.056 -2.394 5.637 318 HG13 ILE 39 HG13 ILE 39 0.540 -2.845 4.865 319 HG21 ILE 39 HG21 ILE 39 0.224 -0.258 3.193 320 HG22 ILE 39 HG22 ILE 39 -0.688 0.619 4.421 321 HG23 ILE 39 HG23 ILE 39 -1.041 -1.081 4.107 322 HD11 ILE 39 HD11 ILE 39 2.890 -1.511 3.539 323 HD12 ILE 39 HD12 ILE 39 1.360 -1.904 2.751 324 HD13 ILE 39 HD13 ILE 39 2.394 -3.195 3.362 325 H PHE 40 H PHE 40 2.086 2.344 3.944 326 HA PHE 40 HA PHE 40 1.404 4.521 3.967 327 HB2 PHE 40 HB2 PHE 40 -0.458 3.658 6.193 328 HB3 PHE 40 HB3 PHE 40 -0.463 5.240 5.433 329 HD1 PHE 40 HD2 PHE 40 -0.715 5.152 2.794 330 HD2 PHE 40 HD1 PHE 40 -1.979 2.123 5.495 331 HE1 PHE 40 HE2 PHE 40 -2.334 4.345 1.127 332 HE2 PHE 40 HE1 PHE 40 -3.596 1.309 3.837 333 HZ PHE 40 HZ PHE 40 -3.773 2.421 1.652 334 HA PRO 41 HA PRO 41 4.085 4.670 7.895 335 HB2 PRO 41 HB2 PRO 41 6.166 5.677 6.058 336 HB3 PRO 41 HB3 PRO 41 6.276 4.425 7.299 337 HG2 PRO 41 HG2 PRO 41 6.301 3.812 4.690 338 HG3 PRO 41 HG3 PRO 41 5.506 2.767 5.883 339 HD2 PRO 41 HD2 PRO 41 4.294 4.737 3.979 340 HD3 PRO 41 HD3 PRO 41 3.728 3.116 4.433 341 H HIS 42 H HIS 42 4.688 6.932 5.198 342 HA HIS 42 HA HIS 42 3.994 9.135 7.010 343 HB2 HIS 42 HB2 HIS 42 6.171 8.833 5.323 344 HB3 HIS 42 HB3 HIS 42 5.108 9.918 4.432 345 HD1 HIS 42 HD1 HIS 42 5.617 12.287 4.897 346 HD2 HIS 42 HD2 HIS 42 6.382 9.862 8.187 347 HE1 HIS 42 HE1 HIS 42 6.474 13.828 6.692 348 HE2 HIS 42 HE2 HIS 42 7.120 12.307 8.601 349 H ILE 43 H ILE 43 3.314 7.735 3.873 350 HA ILE 43 HA ILE 43 1.628 9.893 3.034 351 HB ILE 43 HB ILE 43 1.147 8.307 1.075 352 HG12 ILE 43 HG12 ILE 43 3.158 6.678 0.811 353 HG13 ILE 43 HG13 ILE 43 3.270 6.774 2.563 354 HG21 ILE 43 HG21 ILE 43 2.627 10.219 0.935 355 HG22 ILE 43 HG22 ILE 43 3.304 8.861 0.040 356 HG23 ILE 43 HG23 ILE 43 3.947 9.276 1.627 357 HD11 ILE 43 HD11 ILE 43 0.862 5.862 1.010 358 HD12 ILE 43 HD12 ILE 43 1.011 5.911 2.767 359 HD13 ILE 43 HD13 ILE 43 2.023 4.816 1.825 360 H GLY 44 H GLY 44 0.896 8.025 5.387 361 HA2 GLY 44 HA2 GLY 44 -1.425 6.591 4.619 362 HA3 GLY 44 HA3 GLY 44 -1.002 7.063 6.257 363 H SER 45 H SER 45 -0.920 9.919 4.906 364 HA SER 45 HA SER 45 -3.720 10.490 5.513 365 HB2 SER 45 HB2 SER 45 -1.391 12.387 5.104 366 HB3 SER 45 HB3 SER 45 -2.996 12.819 5.699 367 HG SER 45 HG SER 45 -2.512 11.169 7.398 368 H SER 46 H SER 46 -2.463 9.402 2.888 369 HA SER 46 HA SER 46 -3.474 11.486 1.080 370 HB2 SER 46 HB2 SER 46 -1.660 9.152 0.436 371 HB3 SER 46 HB3 SER 46 -2.097 10.473 -0.649 372 HG SER 46 HG SER 46 -1.164 11.604 1.520 373 H ASP 47 H ASP 47 -5.066 11.064 -0.365 374 HA ASP 47 HA ASP 47 -6.760 8.792 0.047 375 HB2 ASP 47 HB2 ASP 47 -7.370 11.206 -0.721 376 HB3 ASP 47 HB3 ASP 47 -6.926 10.638 -2.325 377 H ILE 48 H ILE 48 -7.216 7.131 -1.454 378 HA ILE 48 HA ILE 48 -4.886 6.129 -2.764 379 HB ILE 48 HB ILE 48 -6.419 4.597 -1.671 380 HG12 ILE 48 HG12 ILE 48 -6.419 4.179 -4.669 381 HG13 ILE 48 HG13 ILE 48 -5.108 3.749 -3.576 382 HG21 ILE 48 HG21 ILE 48 -8.506 5.772 -1.988 383 HG22 ILE 48 HG22 ILE 48 -8.647 4.125 -2.601 384 HG23 ILE 48 HG23 ILE 48 -8.445 5.470 -3.724 385 HD11 ILE 48 HD11 ILE 48 -6.439 1.809 -4.200 386 HD12 ILE 48 HD12 ILE 48 -7.880 2.576 -3.536 387 HD13 ILE 48 HD13 ILE 48 -6.548 2.131 -2.471 388 H ARG 49 H ARG 49 -7.700 7.886 -3.784 389 HA ARG 49 HA ARG 49 -7.462 7.213 -6.563 390 HB2 ARG 49 HB2 ARG 49 -9.136 9.046 -6.884 391 HB3 ARG 49 HB3 ARG 49 -9.637 7.787 -5.762 392 HG2 ARG 49 HG2 ARG 49 -8.961 9.251 -3.888 393 HG3 ARG 49 HG3 ARG 49 -8.604 10.523 -5.060 394 HD2 ARG 49 HD2 ARG 49 -10.860 10.699 -5.704 395 HD3 ARG 49 HD3 ARG 49 -11.288 9.187 -4.903 396 HE ARG 49 HE ARG 49 -10.452 10.670 -2.835 397 HH11 ARG 49 HH11 ARG 49 -12.614 11.428 -5.482 398 HH12 ARG 49 HH12 ARG 49 -13.625 12.477 -4.529 399 HH21 ARG 49 HH21 ARG 49 -11.753 12.063 -1.584 400 HH22 ARG 49 HH22 ARG 49 -13.129 12.845 -2.305 401 H GLN 50 H GLN 50 -5.991 9.540 -4.497 402 HA GLN 50 HA GLN 50 -4.633 10.647 -6.844 403 HB2 GLN 50 HB2 GLN 50 -6.274 12.314 -6.073 404 HB3 GLN 50 HB3 GLN 50 -5.548 12.280 -4.473 405 HG2 GLN 50 HG2 GLN 50 -4.844 14.221 -5.793 406 HG3 GLN 50 HG3 GLN 50 -3.491 13.193 -5.330 407 HE21 GLN 50 HE21 GLN 50 -2.365 12.063 -6.917 408 HE22 GLN 50 HE22 GLN 50 -2.566 12.393 -8.599 409 H LEU 51 H LEU 51 -3.132 9.008 -6.267 410 HA LEU 51 HA LEU 51 -1.601 9.373 -3.827 411 HB2 LEU 51 HB2 LEU 51 -2.229 7.179 -5.356 412 HB3 LEU 51 HB3 LEU 51 -0.587 7.520 -5.867 413 HG LEU 51 HG LEU 51 0.157 7.393 -3.511 414 HD11 LEU 51 HD11 LEU 51 -2.701 6.575 -2.994 415 HD12 LEU 51 HD12 LEU 51 -1.909 8.039 -2.410 416 HD13 LEU 51 HD13 LEU 51 -1.378 6.460 -1.833 417 HD21 LEU 51 HD21 LEU 51 -0.088 4.963 -3.281 418 HD22 LEU 51 HD22 LEU 51 0.295 5.426 -4.939 419 HD23 LEU 51 HD23 LEU 51 -1.355 4.980 -4.508 420 H LYS 52 H LYS 52 0.810 9.524 -4.031 421 HA LYS 52 HA LYS 52 1.455 11.694 -5.813 422 HB2 LYS 52 HB2 LYS 52 3.092 10.225 -3.738 423 HB3 LYS 52 HB3 LYS 52 3.722 11.547 -4.704 424 HG2 LYS 52 HG2 LYS 52 3.134 12.471 -2.626 425 HG3 LYS 52 HG3 LYS 52 1.873 12.971 -3.755 426 HD2 LYS 52 HD2 LYS 52 0.397 11.239 -2.916 427 HD3 LYS 52 HD3 LYS 52 1.668 10.640 -1.848 428 HE2 LYS 52 HE2 LYS 52 0.074 12.007 -0.621 429 HE3 LYS 52 HE3 LYS 52 1.663 12.765 -0.647 430 HZ1 LYS 52 HZ1 LYS 52 0.943 14.317 -2.262 431 HZ2 LYS 52 HZ2 LYS 52 -0.243 14.290 -1.051 432 HZ3 LYS 52 HZ3 LYS 52 -0.517 13.492 -2.524 433 H THR 53 H THR 53 3.701 11.593 -6.878 434 HA THR 53 HA THR 53 3.842 9.264 -8.592 435 HB THR 53 HB THR 53 5.875 11.487 -8.563 436 HG1 THR 53 HG1 THR 53 3.156 11.598 -9.308 437 HG21 THR 53 HG21 THR 53 5.896 11.097 -10.973 438 HG22 THR 53 HG22 THR 53 4.597 9.916 -10.810 439 HG23 THR 53 HG23 THR 53 6.183 9.586 -10.111 440 H SER 54 H SER 54 6.693 9.146 -8.896 441 HA SER 54 HA SER 54 7.364 7.120 -7.188 442 HB2 SER 54 HB2 SER 54 9.402 9.005 -8.355 443 HB3 SER 54 HB3 SER 54 9.543 7.265 -8.096 444 HG SER 54 HG SER 54 8.565 6.924 -9.938 445 H HIS 55 H HIS 55 7.391 10.474 -6.434 446 HA HIS 55 HA HIS 55 9.316 10.698 -4.442 447 HB2 HIS 55 HB2 HIS 55 6.573 11.973 -4.467 448 HB3 HIS 55 HB3 HIS 55 7.940 12.501 -3.499 449 HD1 HIS 55 HD1 HIS 55 9.552 14.118 -4.563 450 HD2 HIS 55 HD2 HIS 55 6.874 12.450 -7.275 451 HE1 HIS 55 HE1 HIS 55 9.849 15.420 -6.698 452 HE2 HIS 55 HE2 HIS 55 8.072 14.538 -8.253 453 H LEU 56 H LEU 56 6.214 9.110 -4.394 454 HA LEU 56 HA LEU 56 5.787 9.118 -1.599 455 HB2 LEU 56 HB2 LEU 56 3.925 7.877 -2.000 456 HB3 LEU 56 HB3 LEU 56 4.193 8.523 -3.605 457 HG LEU 56 HG LEU 56 5.065 5.765 -2.723 458 HD11 LEU 56 HD11 LEU 56 3.165 4.946 -4.017 459 HD12 LEU 56 HD12 LEU 56 2.643 6.605 -4.306 460 HD13 LEU 56 HD13 LEU 56 2.643 5.952 -2.667 461 HD21 LEU 56 HD21 LEU 56 5.285 5.339 -5.123 462 HD22 LEU 56 HD22 LEU 56 6.364 6.629 -4.591 463 HD23 LEU 56 HD23 LEU 56 4.879 7.023 -5.460 464 H LEU 57 H LEU 57 8.040 7.406 -3.449 465 HA LEU 57 HA LEU 57 8.122 5.014 -1.853 466 HB2 LEU 57 HB2 LEU 57 8.730 5.009 -4.231 467 HB3 LEU 57 HB3 LEU 57 10.056 6.107 -3.901 468 HG LEU 57 HG LEU 57 11.079 4.359 -2.462 469 HD11 LEU 57 HD11 LEU 57 9.098 3.089 -1.902 470 HD12 LEU 57 HD12 LEU 57 10.279 2.047 -2.697 471 HD13 LEU 57 HD13 LEU 57 8.877 2.636 -3.592 472 HD21 LEU 57 HD21 LEU 57 11.864 2.967 -4.320 473 HD22 LEU 57 HD22 LEU 57 11.821 4.676 -4.750 474 HD23 LEU 57 HD23 LEU 57 10.560 3.589 -5.332 475 H ALA 58 H ALA 58 9.316 8.149 -1.507 476 HA ALA 58 HA ALA 58 11.835 7.860 -0.415 477 HB1 ALA 58 HB1 ALA 58 9.785 9.908 0.410 478 HB2 ALA 58 HB2 ALA 58 10.835 10.020 -1.004 479 HB3 ALA 58 HB3 ALA 58 11.533 10.024 0.617 480 HA PRO 59 HA PRO 59 9.945 7.432 4.053 481 HB2 PRO 59 HB2 PRO 59 7.420 6.358 4.143 482 HB3 PRO 59 HB3 PRO 59 7.796 8.074 4.285 483 HG2 PRO 59 HG2 PRO 59 6.865 6.536 1.901 484 HG3 PRO 59 HG3 PRO 59 6.373 8.147 2.454 485 HD2 PRO 59 HD2 PRO 59 8.109 7.810 0.429 486 HD3 PRO 59 HD3 PRO 59 8.254 9.161 1.572 487 H ILE 60 H ILE 60 9.078 5.234 1.459 488 HA ILE 60 HA ILE 60 9.236 2.852 3.018 489 HB ILE 60 HB ILE 60 9.398 3.334 0.032 490 HG12 ILE 60 HG12 ILE 60 7.239 1.979 0.129 491 HG13 ILE 60 HG13 ILE 60 7.298 2.183 1.874 492 HG21 ILE 60 HG21 ILE 60 9.281 0.912 -0.290 493 HG22 ILE 60 HG22 ILE 60 9.459 0.673 1.448 494 HG23 ILE 60 HG23 ILE 60 10.773 1.393 0.518 495 HD11 ILE 60 HD11 ILE 60 7.186 4.605 1.588 496 HD12 ILE 60 HD12 ILE 60 5.804 3.789 0.854 497 HD13 ILE 60 HD13 ILE 60 7.117 4.390 -0.160 498 H LYS 61 H LYS 61 11.528 4.959 1.516 499 HA LYS 61 HA LYS 61 13.729 3.128 1.557 500 HB2 LYS 61 HB2 LYS 61 13.418 6.059 1.149 501 HB3 LYS 61 HB3 LYS 61 15.009 5.463 1.610 502 HG2 LYS 61 HG2 LYS 61 13.403 4.552 -0.767 503 HG3 LYS 61 HG3 LYS 61 14.812 5.621 -0.801 504 HD2 LYS 61 HD2 LYS 61 16.181 3.834 0.169 505 HD3 LYS 61 HD3 LYS 61 14.775 2.770 0.185 506 HE2 LYS 61 HE2 LYS 61 14.649 2.837 -2.224 507 HE3 LYS 61 HE3 LYS 61 15.967 4.006 -2.290 508 HZ1 LYS 61 HZ1 LYS 61 16.173 1.213 -1.299 509 HZ2 LYS 61 HZ2 LYS 61 17.439 2.336 -1.330 510 HZ3 LYS 61 HZ3 LYS 61 16.757 1.791 -2.783 511 H GLU 62 H GLU 62 12.307 5.339 3.831 512 HA GLU 62 HA GLU 62 14.372 5.269 5.751 513 HB2 GLU 62 HB2 GLU 62 11.415 5.682 6.208 514 HB3 GLU 62 HB3 GLU 62 12.729 6.197 7.252 515 HG2 GLU 62 HG2 GLU 62 13.510 7.745 5.559 516 HG3 GLU 62 HG3 GLU 62 12.237 7.206 4.465 517 H VAL 63 H VAL 63 11.476 3.306 5.202 518 HA VAL 63 HA VAL 63 11.910 1.739 7.566 519 HB VAL 63 HB VAL 63 10.042 0.352 6.823 520 HG11 VAL 63 HG11 VAL 63 8.303 2.061 6.889 521 HG12 VAL 63 HG12 VAL 63 9.506 3.300 6.531 522 HG13 VAL 63 HG13 VAL 63 9.588 2.403 8.048 523 HG21 VAL 63 HG21 VAL 63 8.786 0.926 4.792 524 HG22 VAL 63 HG22 VAL 63 10.407 0.325 4.438 525 HG23 VAL 63 HG23 VAL 63 10.066 2.053 4.342 526 H ASP 64 H ASP 64 12.808 1.439 4.176 527 HA ASP 64 HA ASP 64 13.509 -1.328 4.361 528 HB2 ASP 64 HB2 ASP 64 13.876 -1.188 2.145 529 HB3 ASP 64 HB3 ASP 64 13.260 0.454 2.259 530 H THR 65 H THR 65 15.284 1.710 4.627 531 HA THR 65 HA THR 65 17.832 0.575 5.070 532 HB THR 65 HB THR 65 16.750 3.275 5.935 533 HG1 THR 65 HG1 THR 65 16.740 2.729 3.605 534 HG21 THR 65 HG21 THR 65 19.599 2.339 5.590 535 HG22 THR 65 HG22 THR 65 18.809 2.700 7.124 536 HG23 THR 65 HG23 THR 65 19.094 3.987 5.953 537 H SER 66 H SER 66 15.047 0.784 7.001 538 HA SER 66 HA SER 66 16.387 0.650 9.546 539 HB2 SER 66 HB2 SER 66 14.197 1.734 9.340 540 HB3 SER 66 HB3 SER 66 13.479 0.213 8.814 541 HG SER 66 HG SER 66 14.869 0.308 11.262 542 H GLY 67 H GLY 67 16.230 -1.524 7.139 543 HA2 GLY 67 HA2 GLY 67 17.308 -3.655 7.623 544 HA3 GLY 67 HA3 GLY 67 16.328 -3.750 9.076 545 H LYS 68 H LYS 68 14.381 -2.561 6.688 546 HA LYS 68 HA LYS 68 13.353 -5.249 6.112 547 HB2 LYS 68 HB2 LYS 68 12.032 -2.573 6.360 548 HB3 LYS 68 HB3 LYS 68 11.279 -3.821 5.374 549 HG2 LYS 68 HG2 LYS 68 10.401 -4.731 7.187 550 HG3 LYS 68 HG3 LYS 68 12.014 -5.002 7.843 551 HD2 LYS 68 HD2 LYS 68 10.417 -2.459 8.144 552 HD3 LYS 68 HD3 LYS 68 10.569 -3.719 9.370 553 HE2 LYS 68 HE2 LYS 68 13.045 -3.371 9.291 554 HE3 LYS 68 HE3 LYS 68 12.754 -1.982 8.249 555 HZ1 LYS 68 HZ1 LYS 68 11.780 -2.323 11.034 556 HZ2 LYS 68 HZ2 LYS 68 11.391 -1.014 10.029 557 HZ3 LYS 68 HZ3 LYS 68 12.996 -1.261 10.513 558 H HIS 69 H HIS 69 15.206 -5.258 4.560 559 HA HIS 69 HA HIS 69 15.201 -3.503 2.310 560 HB2 HIS 69 HB2 HIS 69 17.220 -4.661 3.235 561 HB3 HIS 69 HB3 HIS 69 16.590 -6.175 2.598 562 HD1 HIS 69 HD1 HIS 69 17.091 -6.702 0.194 563 HD2 HIS 69 HD2 HIS 69 17.977 -2.765 1.211 564 HE1 HIS 69 HE1 HIS 69 18.331 -5.752 -1.773 565 HE2 HIS 69 HE2 HIS 69 19.080 -3.470 -1.024 566 H ASP 70 H ASP 70 14.350 -6.943 2.702 567 HA ASP 70 HA ASP 70 13.401 -7.288 0.054 568 HB2 ASP 70 HB2 ASP 70 12.794 -8.809 2.597 569 HB3 ASP 70 HB3 ASP 70 12.176 -9.280 1.019 570 H VAL 71 H VAL 71 11.895 -6.367 3.069 571 HA VAL 71 HA VAL 71 9.216 -6.598 2.373 572 HB VAL 71 HB VAL 71 10.470 -4.596 4.256 573 HG11 VAL 71 HG11 VAL 71 8.172 -4.002 3.721 574 HG12 VAL 71 HG12 VAL 71 8.294 -4.589 5.379 575 HG13 VAL 71 HG13 VAL 71 7.644 -5.636 4.119 576 HG21 VAL 71 HG21 VAL 71 9.429 -7.382 4.748 577 HG22 VAL 71 HG22 VAL 71 9.975 -6.260 5.995 578 HG23 VAL 71 HG23 VAL 71 11.116 -6.872 4.798 579 H ALA 72 H ALA 72 11.421 -3.846 1.968 580 HA ALA 72 HA ALA 72 9.627 -1.907 1.151 581 HB1 ALA 72 HB1 ALA 72 12.000 -1.487 1.604 582 HB2 ALA 72 HB2 ALA 72 11.500 -0.825 0.046 583 HB3 ALA 72 HB3 ALA 72 12.424 -2.325 0.110 584 H GLN 73 H GLN 73 11.491 -4.071 -0.975 585 HA GLN 73 HA GLN 73 10.358 -3.239 -3.400 586 HB2 GLN 73 HB2 GLN 73 12.427 -4.746 -2.881 587 HB3 GLN 73 HB3 GLN 73 11.270 -6.060 -2.944 588 HG2 GLN 73 HG2 GLN 73 12.257 -5.910 -5.075 589 HG3 GLN 73 HG3 GLN 73 10.620 -5.281 -5.220 590 HE21 GLN 73 HE21 GLN 73 11.081 -4.082 -7.047 591 HE22 GLN 73 HE22 GLN 73 12.062 -2.658 -7.011 592 H ARG 74 H ARG 74 9.578 -5.986 -1.323 593 HA ARG 74 HA ARG 74 7.530 -7.074 -2.896 594 HB2 ARG 74 HB2 ARG 74 7.770 -7.182 0.116 595 HB3 ARG 74 HB3 ARG 74 6.839 -8.282 -0.894 596 HG2 ARG 74 HG2 ARG 74 8.844 -9.128 -1.912 597 HG3 ARG 74 HG3 ARG 74 9.825 -7.935 -1.059 598 HD2 ARG 74 HD2 ARG 74 10.138 -9.754 0.287 599 HD3 ARG 74 HD3 ARG 74 8.723 -9.039 1.058 600 HE ARG 74 HE ARG 74 7.756 -10.814 -0.836 601 HH11 ARG 74 HH11 ARG 74 9.684 -10.914 2.082 602 HH12 ARG 74 HH12 ARG 74 9.333 -12.576 2.421 603 HH21 ARG 74 HH21 ARG 74 7.270 -13.019 -0.391 604 HH22 ARG 74 HH22 ARG 74 7.921 -13.765 1.042 605 H LEU 75 H LEU 75 7.443 -4.490 -0.500 606 HA LEU 75 HA LEU 75 4.591 -4.299 -0.443 607 HB2 LEU 75 HB2 LEU 75 6.863 -2.761 0.657 608 HB3 LEU 75 HB3 LEU 75 5.383 -1.860 0.401 609 HG LEU 75 HG LEU 75 4.167 -3.262 1.923 610 HD11 LEU 75 HD11 LEU 75 6.646 -4.965 2.125 611 HD12 LEU 75 HD12 LEU 75 5.144 -5.415 1.316 612 HD13 LEU 75 HD13 LEU 75 5.165 -5.166 3.062 613 HD21 LEU 75 HD21 LEU 75 6.876 -2.605 3.063 614 HD22 LEU 75 HD22 LEU 75 5.405 -2.893 3.991 615 HD23 LEU 75 HD23 LEU 75 5.512 -1.498 2.918 616 H GLN 76 H GLN 76 7.137 -2.402 -2.076 617 HA GLN 76 HA GLN 76 5.351 -0.606 -3.328 618 HB2 GLN 76 HB2 GLN 76 7.264 -0.113 -4.857 619 HB3 GLN 76 HB3 GLN 76 7.643 0.024 -3.154 620 HG2 GLN 76 HG2 GLN 76 8.707 -2.183 -3.247 621 HG3 GLN 76 HG3 GLN 76 8.357 -2.255 -4.972 622 HE21 GLN 76 HE21 GLN 76 9.509 -0.959 -6.383 623 HE22 GLN 76 HE22 GLN 76 10.976 -0.170 -5.926 624 H GLN 77 H GLN 77 6.661 -3.690 -4.315 625 HA GLN 77 HA GLN 77 5.696 -3.818 -6.934 626 HB2 GLN 77 HB2 GLN 77 7.229 -5.474 -6.013 627 HB3 GLN 77 HB3 GLN 77 5.999 -6.021 -4.883 628 HG2 GLN 77 HG2 GLN 77 4.621 -6.750 -6.799 629 HG3 GLN 77 HG3 GLN 77 5.935 -6.288 -7.879 630 HE21 GLN 77 HE21 GLN 77 7.791 -7.534 -7.947 631 HE22 GLN 77 HE22 GLN 77 7.875 -9.115 -7.250 632 H ARG 78 H ARG 78 4.060 -4.237 -3.873 633 HA ARG 78 HA ARG 78 1.680 -5.356 -5.074 634 HB2 ARG 78 HB2 ARG 78 2.354 -4.535 -2.252 635 HB3 ARG 78 HB3 ARG 78 0.782 -5.172 -2.722 636 HG2 ARG 78 HG2 ARG 78 1.729 -7.268 -3.334 637 HG3 ARG 78 HG3 ARG 78 3.370 -6.645 -3.153 638 HD2 ARG 78 HD2 ARG 78 3.026 -6.355 -0.769 639 HD3 ARG 78 HD3 ARG 78 1.354 -6.889 -0.926 640 HE ARG 78 HE ARG 78 2.374 -9.073 -1.703 641 HH11 ARG 78 HH11 ARG 78 4.084 -6.906 0.440 642 HH12 ARG 78 HH12 ARG 78 4.933 -8.175 1.270 643 HH21 ARG 78 HH21 ARG 78 3.469 -10.750 -0.631 644 HH22 ARG 78 HH22 ARG 78 4.575 -10.381 0.665 645 H VAL 79 H VAL 79 2.687 -2.234 -3.737 646 HA VAL 79 HA VAL 79 0.100 -1.128 -3.571 647 HB VAL 79 HB VAL 79 2.043 -0.214 -2.350 648 HG11 VAL 79 HG11 VAL 79 2.873 0.907 -5.019 649 HG12 VAL 79 HG12 VAL 79 3.730 -0.327 -4.096 650 HG13 VAL 79 HG13 VAL 79 3.592 1.314 -3.461 651 HG21 VAL 79 HG21 VAL 79 1.468 2.157 -2.627 652 HG22 VAL 79 HG22 VAL 79 0.041 1.122 -2.560 653 HG23 VAL 79 HG23 VAL 79 0.600 1.759 -4.108 654 H THR 80 H THR 80 2.415 -1.233 -6.227 655 HA THR 80 HA THR 80 1.016 0.642 -7.849 656 HB THR 80 HB THR 80 3.398 0.120 -8.229 657 HG1 THR 80 HG1 THR 80 2.711 0.935 -10.067 658 HG21 THR 80 HG21 THR 80 4.017 -1.944 -9.431 659 HG22 THR 80 HG22 THR 80 2.370 -2.541 -9.212 660 HG23 THR 80 HG23 THR 80 3.405 -2.269 -7.810 661 H ALA 81 H ALA 81 0.753 -2.796 -7.289 662 HA ALA 81 HA ALA 81 -0.858 -3.424 -9.538 663 HB1 ALA 81 HB1 ALA 81 -0.711 -4.835 -6.874 664 HB2 ALA 81 HB2 ALA 81 0.350 -5.133 -8.250 665 HB3 ALA 81 HB3 ALA 81 -1.371 -5.494 -8.372 666 H ILE 82 H ILE 82 -1.515 -2.195 -6.337 667 HA ILE 82 HA ILE 82 -4.302 -2.479 -6.234 668 HB ILE 82 HB ILE 82 -2.686 -0.155 -5.171 669 HG12 ILE 82 HG12 ILE 82 -1.793 -2.365 -4.455 670 HG13 ILE 82 HG13 ILE 82 -2.411 -1.399 -3.120 671 HG21 ILE 82 HG21 ILE 82 -5.355 -1.271 -4.330 672 HG22 ILE 82 HG22 ILE 82 -5.064 0.273 -5.133 673 HG23 ILE 82 HG23 ILE 82 -4.476 0.005 -3.491 674 HD11 ILE 82 HD11 ILE 82 -4.451 -2.718 -3.109 675 HD12 ILE 82 HD12 ILE 82 -3.025 -3.733 -2.899 676 HD13 ILE 82 HD13 ILE 82 -3.844 -3.674 -4.460 677 H MET 83 H MET 83 -2.325 0.241 -7.322 678 HA MET 83 HA MET 83 -4.436 1.868 -8.211 679 HB2 MET 83 HB2 MET 83 -2.224 2.761 -7.725 680 HB3 MET 83 HB3 MET 83 -1.525 1.813 -9.028 681 HG2 MET 83 HG2 MET 83 -2.739 3.096 -10.669 682 HG3 MET 83 HG3 MET 83 -3.566 3.991 -9.395 683 HE1 MET 83 HE1 MET 83 -2.432 5.701 -7.800 684 HE2 MET 83 HE2 MET 83 -0.700 6.039 -7.773 685 HE3 MET 83 HE3 MET 83 -1.298 4.456 -7.276 686 H ARG 84 H ARG 84 -2.452 -0.543 -9.859 687 HA ARG 84 HA ARG 84 -3.367 0.008 -12.464 688 HB2 ARG 84 HB2 ARG 84 -1.328 -1.281 -11.960 689 HB3 ARG 84 HB3 ARG 84 -2.318 -2.601 -11.356 690 HG2 ARG 84 HG2 ARG 84 -2.979 -3.246 -13.440 691 HG3 ARG 84 HG3 ARG 84 -2.796 -1.627 -14.122 692 HD2 ARG 84 HD2 ARG 84 -0.515 -3.408 -13.274 693 HD3 ARG 84 HD3 ARG 84 -1.091 -3.235 -14.932 694 HE ARG 84 HE ARG 84 -0.303 -0.789 -13.571 695 HH11 ARG 84 HH11 ARG 84 0.632 -3.374 -15.743 696 HH12 ARG 84 HH12 ARG 84 1.867 -2.432 -16.534 697 HH21 ARG 84 HH21 ARG 84 1.322 0.455 -14.603 698 HH22 ARG 84 HH22 ARG 84 2.244 -0.248 -15.896 699 H TYR 85 H TYR 85 -4.605 -2.132 -9.936 700 HA TYR 85 HA TYR 85 -6.623 -3.382 -11.458 701 HB2 TYR 85 HB2 TYR 85 -6.017 -4.228 -9.253 702 HB3 TYR 85 HB3 TYR 85 -6.528 -2.723 -8.499 703 HD1 TYR 85 HD1 TYR 85 -7.665 -5.858 -10.026 704 HD2 TYR 85 HD2 TYR 85 -8.888 -2.240 -8.153 705 HE1 TYR 85 HE1 TYR 85 -9.923 -6.787 -9.720 706 HE2 TYR 85 HE2 TYR 85 -11.148 -3.156 -7.840 707 HH TYR 85 HH TYR 85 -11.909 -6.315 -8.013 708 H ALA 86 H ALA 86 -6.563 -0.382 -9.588 709 HA ALA 86 HA ALA 86 -9.282 0.283 -9.890 710 HB1 ALA 86 HB1 ALA 86 -7.796 1.303 -8.212 711 HB2 ALA 86 HB2 ALA 86 -8.662 2.503 -9.170 712 HB3 ALA 86 HB3 ALA 86 -6.963 2.170 -9.504 713 H VAL 87 H VAL 87 -6.454 0.958 -11.899 714 HA VAL 87 HA VAL 87 -7.881 2.638 -13.730 715 HB VAL 87 HB VAL 87 -5.272 1.172 -14.182 716 HG11 VAL 87 HG11 VAL 87 -4.868 2.895 -15.880 717 HG12 VAL 87 HG12 VAL 87 -6.470 3.567 -15.576 718 HG13 VAL 87 HG13 VAL 87 -6.307 1.948 -16.253 719 HG21 VAL 87 HG21 VAL 87 -5.149 2.607 -12.219 720 HG22 VAL 87 HG22 VAL 87 -5.780 3.962 -13.156 721 HG23 VAL 87 HG23 VAL 87 -4.200 3.280 -13.545 722 H GLN 88 H GLN 88 -7.115 -0.795 -13.550 723 HA GLN 88 HA GLN 88 -8.031 -1.566 -16.089 724 HB2 GLN 88 HB2 GLN 88 -6.802 -2.975 -14.341 725 HB3 GLN 88 HB3 GLN 88 -8.358 -3.184 -13.557 726 HG2 GLN 88 HG2 GLN 88 -7.867 -3.960 -16.415 727 HG3 GLN 88 HG3 GLN 88 -7.572 -5.051 -15.065 728 HE21 GLN 88 HE21 GLN 88 -9.437 -5.276 -17.294 729 HE22 GLN 88 HE22 GLN 88 -11.007 -5.429 -16.590 730 H ASN 89 H ASN 89 -9.690 -1.103 -13.012 731 HA ASN 89 HA ASN 89 -12.303 -1.705 -14.014 732 HB2 ASN 89 HB2 ASN 89 -11.211 -0.498 -11.499 733 HB3 ASN 89 HB3 ASN 89 -12.924 -0.319 -11.856 734 HD21 ASN 89 HD21 ASN 89 -11.003 -3.145 -12.712 735 HD22 ASN 89 HD22 ASN 89 -11.799 -4.223 -11.622 736 H ASP 90 H ASP 90 -10.241 0.943 -14.353 737 HA ASP 90 HA ASP 90 -10.426 3.064 -15.132 738 HB2 ASP 90 HB2 ASP 90 -11.837 1.876 -16.878 739 HB3 ASP 90 HB3 ASP 90 -13.253 2.350 -15.949 740 H TYR 91 H TYR 91 -11.079 2.372 -12.445 741 HA TYR 91 HA TYR 91 -13.418 3.855 -11.640 742 HB2 TYR 91 HB2 TYR 91 -12.551 1.710 -10.573 743 HB3 TYR 91 HB3 TYR 91 -11.284 2.695 -9.850 744 HD1 TYR 91 HD1 TYR 91 -14.992 2.481 -10.130 745 HD2 TYR 91 HD2 TYR 91 -11.661 3.674 -7.766 746 HE1 TYR 91 HE1 TYR 91 -16.508 3.001 -8.269 747 HE2 TYR 91 HE2 TYR 91 -13.173 4.204 -5.897 748 HH TYR 91 HH TYR 91 -15.472 4.719 -5.473 749 H ILE 92 H ILE 92 -9.939 4.307 -11.666 750 HA ILE 92 HA ILE 92 -10.315 6.984 -10.519 751 HB ILE 92 HB ILE 92 -7.822 7.070 -10.365 752 HG12 ILE 92 HG12 ILE 92 -8.021 4.126 -11.034 753 HG13 ILE 92 HG13 ILE 92 -7.308 5.363 -12.063 754 HG21 ILE 92 HG21 ILE 92 -9.178 4.834 -8.871 755 HG22 ILE 92 HG22 ILE 92 -9.192 6.544 -8.434 756 HG23 ILE 92 HG23 ILE 92 -7.681 5.635 -8.391 757 HD11 ILE 92 HD11 ILE 92 -5.587 4.122 -10.913 758 HD12 ILE 92 HD12 ILE 92 -6.314 4.513 -9.357 759 HD13 ILE 92 HD13 ILE 92 -5.613 5.793 -10.348 760 H ASP 93 H ASP 93 -8.160 8.320 -11.612 761 HA ASP 93 HA ASP 93 -9.260 8.688 -14.302 762 HB2 ASP 93 HB2 ASP 93 -7.642 10.535 -12.549 763 HB3 ASP 93 HB3 ASP 93 -8.150 10.925 -14.188 764 H SER 94 H SER 94 -6.143 8.290 -12.657 765 HA SER 94 HA SER 94 -4.910 7.583 -15.185 766 HB2 SER 94 HB2 SER 94 -4.837 10.111 -14.982 767 HB3 SER 94 HB3 SER 94 -3.779 9.888 -13.590 768 HG SER 94 HG SER 94 -3.202 9.792 -16.228 769 H ASN 95 H ASN 95 -2.327 7.542 -14.591 770 HA ASN 95 HA ASN 95 -2.132 5.859 -12.178 771 HB2 ASN 95 HB2 ASN 95 -0.787 5.615 -14.864 772 HB3 ASN 95 HB3 ASN 95 -0.145 4.819 -13.434 773 HD21 ASN 95 HD21 ASN 95 -1.259 3.090 -12.542 774 HD22 ASN 95 HD22 ASN 95 -2.508 2.261 -13.404 775 HA PRO 96 HA PRO 96 0.730 9.418 -11.378 776 HB2 PRO 96 HB2 PRO 96 0.073 8.677 -8.600 777 HB3 PRO 96 HB3 PRO 96 0.011 10.257 -9.386 778 HG2 PRO 96 HG2 PRO 96 -2.223 8.918 -8.744 779 HG3 PRO 96 HG3 PRO 96 -2.118 9.910 -10.211 780 HD2 PRO 96 HD2 PRO 96 -1.936 6.938 -9.912 781 HD3 PRO 96 HD3 PRO 96 -2.752 7.896 -11.166 782 H ALA 97 H ALA 97 0.437 6.281 -9.738 783 HA ALA 97 HA ALA 97 3.374 6.232 -9.451 784 HB1 ALA 97 HB1 ALA 97 3.054 4.781 -7.503 785 HB2 ALA 97 HB2 ALA 97 1.305 4.892 -7.704 786 HB3 ALA 97 HB3 ALA 97 2.239 6.329 -7.291 787 H SER 98 H SER 98 2.230 5.443 -11.843 788 HA SER 98 HA SER 98 1.913 2.586 -11.891 789 HB2 SER 98 HB2 SER 98 0.932 4.240 -13.578 790 HB3 SER 98 HB3 SER 98 2.554 4.357 -14.255 791 HG SER 98 HG SER 98 1.626 2.768 -15.408 792 H ASP 99 H ASP 99 4.433 4.898 -12.825 793 HA ASP 99 HA ASP 99 6.368 2.677 -12.805 794 HB2 ASP 99 HB2 ASP 99 6.263 3.782 -14.977 795 HB3 ASP 99 HB3 ASP 99 6.526 5.349 -14.221 796 H MET 100 H MET 100 6.671 2.716 -10.583 797 HA MET 100 HA MET 100 8.270 4.976 -9.620 798 HB2 MET 100 HB2 MET 100 7.142 4.722 -7.392 799 HB3 MET 100 HB3 MET 100 6.126 5.378 -8.659 800 HG2 MET 100 HG2 MET 100 4.762 3.882 -7.510 801 HG3 MET 100 HG3 MET 100 5.246 3.015 -8.964 802 HE1 MET 100 HE1 MET 100 7.355 3.678 -5.683 803 HE2 MET 100 HE2 MET 100 6.998 2.217 -4.763 804 HE3 MET 100 HE3 MET 100 5.719 3.388 -5.086 805 H ALA 101 H ALA 101 7.824 1.641 -9.966 806 HA ALA 101 HA ALA 101 9.558 0.935 -7.735 807 HB1 ALA 101 HB1 ALA 101 7.574 -0.428 -8.136 808 HB2 ALA 101 HB2 ALA 101 9.048 -1.377 -8.320 809 HB3 ALA 101 HB3 ALA 101 8.169 -0.831 -9.747 810 H GLY 102 H GLY 102 11.668 1.140 -8.041 811 HA2 GLY 102 HA2 GLY 102 12.819 0.634 -10.673 812 HA3 GLY 102 HA3 GLY 102 13.649 1.350 -9.299 813 H ALA 103 H ALA 103 15.001 -0.487 -10.595 814 HA ALA 103 HA ALA 103 14.599 -3.056 -9.217 815 HB1 ALA 103 HB1 ALA 103 16.007 -4.027 -10.962 816 HB2 ALA 103 HB2 ALA 103 16.237 -2.431 -11.678 817 HB3 ALA 103 HB3 ALA 103 14.633 -3.170 -11.661 818 H LEU 104 H LEU 104 15.589 -2.616 -7.262 819 HA LEU 104 HA LEU 104 18.380 -1.741 -7.356 820 HB2 LEU 104 HB2 LEU 104 18.111 -1.416 -4.888 821 HB3 LEU 104 HB3 LEU 104 17.115 -0.390 -5.898 822 HG LEU 104 HG LEU 104 15.333 -2.321 -5.440 823 HD11 LEU 104 HD11 LEU 104 15.496 -3.091 -3.122 824 HD12 LEU 104 HD12 LEU 104 17.103 -2.378 -3.003 825 HD13 LEU 104 HD13 LEU 104 16.811 -3.714 -4.117 826 HD21 LEU 104 HD21 LEU 104 15.008 0.035 -4.977 827 HD22 LEU 104 HD22 LEU 104 16.015 -0.088 -3.535 828 HD23 LEU 104 HD23 LEU 104 14.471 -0.936 -3.607 829 H SER 105 H SER 105 16.388 -4.458 -6.357 830 HA SER 105 HA SER 105 18.735 -6.142 -6.315 831 HB2 SER 105 HB2 SER 105 16.992 -5.761 -3.870 832 HB3 SER 105 HB3 SER 105 18.162 -7.060 -4.065 833 HG SER 105 HG SER 105 19.252 -4.628 -4.604 834 H THR 106 H THR 106 16.278 -5.857 -7.894 835 HA THR 106 HA THR 106 14.473 -7.934 -7.128 836 HB THR 106 HB THR 106 13.801 -7.417 -9.688 837 HG1 THR 106 HG1 THR 106 15.311 -5.923 -10.212 838 HG21 THR 106 HG21 THR 106 12.371 -7.151 -7.706 839 HG22 THR 106 HG22 THR 106 12.223 -5.781 -8.808 840 HG23 THR 106 HG23 THR 106 13.182 -5.628 -7.336 841 H THR 107 H THR 107 15.401 -9.926 -7.132 842 HA THR 107 HA THR 107 17.011 -10.951 -9.235 843 HB THR 107 HB THR 107 15.614 -13.110 -8.050 844 HG1 THR 107 HG1 THR 107 16.589 -11.488 -5.956 845 HG21 THR 107 HG21 THR 107 17.990 -13.065 -8.670 846 HG22 THR 107 HG22 THR 107 17.769 -13.568 -6.994 847 HG23 THR 107 HG23 THR 107 18.309 -11.929 -7.358 848 H LYS 108 H LYS 108 16.404 -12.438 -10.909 849 HA LYS 108 HA LYS 108 13.897 -11.641 -12.090 850 HB2 LYS 108 HB2 LYS 108 16.422 -12.671 -13.053 851 HB3 LYS 108 HB3 LYS 108 15.061 -13.503 -13.791 852 HG2 LYS 108 HG2 LYS 108 15.758 -11.614 -15.139 853 HG3 LYS 108 HG3 LYS 108 14.131 -11.367 -14.511 854 HD2 LYS 108 HD2 LYS 108 16.520 -10.248 -13.080 855 HD3 LYS 108 HD3 LYS 108 15.813 -9.414 -14.457 856 HE2 LYS 108 HE2 LYS 108 14.303 -10.194 -11.971 857 HE3 LYS 108 HE3 LYS 108 14.972 -8.591 -12.282 858 HZ1 LYS 108 HZ1 LYS 108 12.853 -9.969 -13.840 859 HZ2 LYS 108 HZ2 LYS 108 13.570 -8.505 -14.299 860 HZ3 LYS 108 HZ3 LYS 108 12.671 -8.592 -12.865 861 H ALA 109 H ALA 109 12.171 -12.573 -11.486 862 HA ALA 109 HA ALA 109 11.486 -15.231 -11.982 863 HB1 ALA 109 HB1 ALA 109 11.358 -16.177 -9.726 864 HB2 ALA 109 HB2 ALA 109 12.131 -14.731 -9.073 865 HB3 ALA 109 HB3 ALA 109 13.024 -15.796 -10.161 866 H ARG 110 H ARG 110 10.370 -12.654 -12.295 867 HA ARG 110 HA ARG 110 7.978 -12.884 -10.599 868 HB2 ARG 110 HB2 ARG 110 9.606 -10.441 -11.187 869 HB3 ARG 110 HB3 ARG 110 7.877 -10.284 -10.920 870 HG2 ARG 110 HG2 ARG 110 8.892 -9.889 -8.840 871 HG3 ARG 110 HG3 ARG 110 8.222 -11.518 -8.748 872 HD2 ARG 110 HD2 ARG 110 10.569 -12.283 -9.484 873 HD3 ARG 110 HD3 ARG 110 11.083 -10.665 -9.006 874 HE ARG 110 HE ARG 110 9.701 -12.489 -7.145 875 HH11 ARG 110 HH11 ARG 110 12.371 -10.367 -7.928 876 HH12 ARG 110 HH12 ARG 110 13.047 -10.413 -6.326 877 HH21 ARG 110 HH21 ARG 110 10.595 -12.599 -5.069 878 HH22 ARG 110 HH22 ARG 110 12.037 -11.703 -4.690 879 H HIS 111 H HIS 111 6.476 -10.875 -11.703 880 HA HIS 111 HA HIS 111 4.949 -10.509 -13.326 881 HB2 HIS 111 HB2 HIS 111 6.943 -9.794 -14.628 882 HB3 HIS 111 HB3 HIS 111 7.107 -11.435 -15.240 883 HD1 HIS 111 HD1 HIS 111 5.735 -12.047 -17.266 884 HD2 HIS 111 HD2 HIS 111 4.589 -8.426 -15.563 885 HE1 HIS 111 HE1 HIS 111 4.091 -11.024 -18.877 886 HE2 HIS 111 HE2 HIS 111 3.349 -8.875 -17.790 887 H TYR 112 H TYR 112 3.736 -12.256 -12.405 888 HA TYR 112 HA TYR 112 3.476 -14.517 -14.269 889 HB2 TYR 112 HB2 TYR 112 3.309 -14.655 -11.251 890 HB3 TYR 112 HB3 TYR 112 2.880 -15.969 -12.338 891 HD1 TYR 112 HD1 TYR 112 4.881 -16.489 -14.115 892 HD2 TYR 112 HD2 TYR 112 5.347 -14.811 -10.235 893 HE1 TYR 112 HE1 TYR 112 7.198 -17.311 -14.043 894 HE2 TYR 112 HE2 TYR 112 7.662 -15.621 -10.156 895 HH TYR 112 HH TYR 112 9.324 -16.723 -12.861 896 HA PRO 113 HA PRO 113 -0.828 -13.180 -13.913 897 HB2 PRO 113 HB2 PRO 113 -1.648 -14.273 -16.220 898 HB3 PRO 113 HB3 PRO 113 -0.757 -12.746 -16.191 899 HG2 PRO 113 HG2 PRO 113 0.235 -15.506 -16.785 900 HG3 PRO 113 HG3 PRO 113 0.610 -13.981 -17.610 901 HD2 PRO 113 HD2 PRO 113 2.251 -15.139 -15.749 902 HD3 PRO 113 HD3 PRO 113 2.196 -13.397 -16.070 903 H LEU 114 H LEU 114 -2.539 -14.344 -13.181 904 HA LEU 114 HA LEU 114 -2.556 -17.248 -13.515 905 HB2 LEU 114 HB2 LEU 114 -1.421 -16.801 -11.362 906 HB3 LEU 114 HB3 LEU 114 -2.827 -15.904 -10.821 907 HG LEU 114 HG LEU 114 -4.181 -17.961 -10.956 908 HD11 LEU 114 HD11 LEU 114 -1.562 -19.303 -11.610 909 HD12 LEU 114 HD12 LEU 114 -2.934 -19.114 -12.701 910 HD13 LEU 114 HD13 LEU 114 -3.085 -20.121 -11.260 911 HD21 LEU 114 HD21 LEU 114 -1.680 -18.222 -9.288 912 HD22 LEU 114 HD22 LEU 114 -3.201 -19.072 -9.014 913 HD23 LEU 114 HD23 LEU 114 -3.130 -17.317 -8.849 914 H GLU 115 H GLU 115 -4.353 -14.919 -11.531 915 HA GLU 115 HA GLU 115 -6.782 -15.655 -13.008 916 HB2 GLU 115 HB2 GLU 115 -6.876 -16.175 -10.606 917 HB3 GLU 115 HB3 GLU 115 -6.495 -14.502 -10.224 918 HG2 GLU 115 HG2 GLU 115 -8.858 -14.936 -9.934 919 HG3 GLU 115 HG3 GLU 115 -8.591 -13.783 -11.240 920 H HIS 116 H HIS 116 -8.172 -13.987 -13.697 921 HA HIS 116 HA HIS 116 -7.058 -11.288 -13.546 922 HB2 HIS 116 HB2 HIS 116 -7.430 -10.914 -15.967 923 HB3 HIS 116 HB3 HIS 116 -6.199 -12.125 -15.650 924 HD1 HIS 116 HD1 HIS 116 -8.776 -11.535 -17.932 925 HD2 HIS 116 HD2 HIS 116 -7.647 -14.879 -15.728 926 HE1 HIS 116 HE1 HIS 116 -9.780 -13.507 -19.123 927 HE2 HIS 116 HE2 HIS 116 -8.921 -15.527 -17.886 928 H HIS 117 H HIS 117 -8.624 -10.487 -12.297 929 HA HIS 117 HA HIS 117 -11.415 -10.940 -12.800 930 HB2 HIS 117 HB2 HIS 117 -9.907 -9.102 -10.941 931 HB3 HIS 117 HB3 HIS 117 -11.654 -8.991 -11.123 932 HD1 HIS 117 HD1 HIS 117 -12.564 -9.941 -9.025 933 HD2 HIS 117 HD2 HIS 117 -9.492 -12.274 -10.588 934 HE1 HIS 117 HE1 HIS 117 -12.420 -11.964 -7.538 935 HE2 HIS 117 HE2 HIS 117 -10.471 -13.294 -8.419 936 H HIS 118 H HIS 118 -11.959 -10.245 -14.817 937 HA HIS 118 HA HIS 118 -11.469 -7.407 -15.394 938 HB2 HIS 118 HB2 HIS 118 -11.677 -7.889 -17.755 939 HB3 HIS 118 HB3 HIS 118 -10.481 -8.967 -17.053 940 HD1 HIS 118 HD1 HIS 118 -13.230 -8.978 -19.308 941 HD2 HIS 118 HD2 HIS 118 -11.761 -11.653 -16.480 942 HE1 HIS 118 HE1 HIS 118 -14.186 -11.221 -19.936 943 HE2 HIS 118 HE2 HIS 118 -13.129 -12.851 -18.327 944 H HIS 119 H HIS 119 -13.135 -6.106 -16.041 945 HA HIS 119 HA HIS 119 -15.224 -5.257 -16.056 946 HB2 HIS 119 HB2 HIS 119 -15.660 -6.943 -17.815 947 HB3 HIS 119 HB3 HIS 119 -16.119 -8.103 -16.574 948 HD1 HIS 119 HD1 HIS 119 -17.231 -4.691 -17.848 949 HD2 HIS 119 HD2 HIS 119 -18.774 -8.081 -15.986 950 HE1 HIS 119 HE1 HIS 119 -19.716 -4.325 -17.709 951 HE2 HIS 119 HE2 HIS 119 -20.644 -6.404 -16.632 952 H HIS 120 H HIS 120 -14.974 -4.728 -13.872 953 HA HIS 120 HA HIS 120 -16.256 -6.497 -11.917 954 HB2 HIS 120 HB2 HIS 120 -14.086 -5.533 -11.284 955 HB3 HIS 120 HB3 HIS 120 -14.714 -3.912 -11.550 956 HD1 HIS 120 HD1 HIS 120 -16.514 -3.059 -9.807 957 HD2 HIS 120 HD2 HIS 120 -14.608 -6.610 -8.792 958 HE1 HIS 120 HE1 HIS 120 -16.970 -3.393 -7.356 959 HE2 HIS 120 HE2 HIS 120 -15.726 -5.498 -6.738 960 H HIS 121 H HIS 121 -18.403 -6.304 -12.124 961 HA HIS 121 HA HIS 121 -19.540 -3.596 -12.287 962 HB2 HIS 121 HB2 HIS 121 -20.030 -4.972 -14.259 963 HB3 HIS 121 HB3 HIS 121 -20.706 -6.229 -13.230 964 HD1 HIS 121 HD1 HIS 121 -23.155 -6.147 -12.942 965 HD2 HIS 121 HD2 HIS 121 -21.599 -2.446 -14.026 966 HE1 HIS 121 HE1 HIS 121 -25.144 -4.654 -13.305 967 HE2 HIS 121 HE2 HIS 121 -24.170 -2.370 -13.728 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -15.251 -9.295 -0.772 2 H2 MET 1 H2 MET 1 -15.573 -8.541 0.705 3 H3 MET 1 H3 MET 1 -16.104 -7.827 -0.733 4 HA MET 1 HA MET 1 -17.562 -9.713 -1.137 5 HB2 MET 1 HB2 MET 1 -16.578 -10.563 1.590 6 HB3 MET 1 HB3 MET 1 -17.991 -11.245 0.805 7 HG2 MET 1 HG2 MET 1 -15.211 -11.331 -0.337 8 HG3 MET 1 HG3 MET 1 -15.939 -12.624 0.614 9 HE1 MET 1 HE1 MET 1 -14.711 -13.145 -2.241 10 HE2 MET 1 HE2 MET 1 -15.957 -14.167 -2.959 11 HE3 MET 1 HE3 MET 1 -15.497 -14.389 -1.270 12 H GLU 2 H GLU 2 -17.551 -9.088 2.360 13 HA GLU 2 HA GLU 2 -20.299 -8.436 2.282 14 HB2 GLU 2 HB2 GLU 2 -20.081 -8.015 4.693 15 HB3 GLU 2 HB3 GLU 2 -19.353 -9.536 4.211 16 HG2 GLU 2 HG2 GLU 2 -17.633 -7.114 4.426 17 HG3 GLU 2 HG3 GLU 2 -18.158 -7.937 5.893 18 H ASN 3 H ASN 3 -17.418 -6.389 2.443 19 HA ASN 3 HA ASN 3 -18.768 -3.996 3.121 20 HB2 ASN 3 HB2 ASN 3 -16.180 -4.376 1.597 21 HB3 ASN 3 HB3 ASN 3 -16.770 -2.828 2.192 22 HD21 ASN 3 HD21 ASN 3 -16.848 -2.474 4.448 23 HD22 ASN 3 HD22 ASN 3 -15.860 -3.406 5.519 24 H SER 4 H SER 4 -20.488 -3.387 1.964 25 HA SER 4 HA SER 4 -20.350 -3.613 -0.957 26 HB2 SER 4 HB2 SER 4 -22.774 -3.247 0.820 27 HB3 SER 4 HB3 SER 4 -22.790 -3.543 -0.920 28 HG SER 4 HG SER 4 -21.582 -5.323 0.932 29 H GLY 5 H GLY 5 -19.987 -1.844 -2.097 30 HA2 GLY 5 HA2 GLY 5 -20.499 0.263 -2.934 31 HA3 GLY 5 HA3 GLY 5 -21.497 0.560 -1.523 32 H ALA 6 H ALA 6 -18.366 -0.543 -0.794 33 HA ALA 6 HA ALA 6 -17.659 2.165 0.074 34 HB1 ALA 6 HB1 ALA 6 -17.730 0.471 1.827 35 HB2 ALA 6 HB2 ALA 6 -16.090 1.084 1.607 36 HB3 ALA 6 HB3 ALA 6 -16.538 -0.492 0.955 37 H TYR 7 H TYR 7 -16.598 3.156 -1.548 38 HA TYR 7 HA TYR 7 -14.555 1.677 -3.026 39 HB2 TYR 7 HB2 TYR 7 -15.703 4.442 -3.462 40 HB3 TYR 7 HB3 TYR 7 -14.437 3.726 -4.452 41 HD1 TYR 7 HD1 TYR 7 -15.006 1.464 -5.589 42 HD2 TYR 7 HD2 TYR 7 -17.936 4.130 -4.038 43 HE1 TYR 7 HE1 TYR 7 -16.706 0.419 -7.022 44 HE2 TYR 7 HE2 TYR 7 -19.645 3.090 -5.469 45 HH TYR 7 HH TYR 7 -19.221 0.147 -7.004 46 H THR 8 H THR 8 -13.278 1.541 -1.051 47 HA THR 8 HA THR 8 -11.778 4.018 -0.507 48 HB THR 8 HB THR 8 -12.230 1.739 1.438 49 HG1 THR 8 HG1 THR 8 -13.607 4.213 1.069 50 HG21 THR 8 HG21 THR 8 -11.471 3.362 3.118 51 HG22 THR 8 HG22 THR 8 -11.200 4.554 1.848 52 HG23 THR 8 HG23 THR 8 -10.231 3.083 1.894 53 H PHE 9 H PHE 9 -9.542 3.824 -0.165 54 HA PHE 9 HA PHE 9 -8.105 2.237 -1.889 55 HB2 PHE 9 HB2 PHE 9 -7.332 4.311 -0.686 56 HB3 PHE 9 HB3 PHE 9 -7.069 3.319 0.742 57 HD1 PHE 9 HD1 PHE 9 -5.292 1.584 0.724 58 HD2 PHE 9 HD2 PHE 9 -5.786 4.359 -2.463 59 HE1 PHE 9 HE1 PHE 9 -3.005 1.101 -0.044 60 HE2 PHE 9 HE2 PHE 9 -3.502 3.878 -3.241 61 HZ PHE 9 HZ PHE 9 -2.109 2.247 -2.030 62 H GLU 10 H GLU 10 -8.542 1.675 1.608 63 HA GLU 10 HA GLU 10 -7.071 -0.769 1.569 64 HB2 GLU 10 HB2 GLU 10 -8.785 0.590 3.628 65 HB3 GLU 10 HB3 GLU 10 -8.166 -1.033 3.897 66 HG2 GLU 10 HG2 GLU 10 -6.578 1.484 3.469 67 HG3 GLU 10 HG3 GLU 10 -6.689 0.514 4.939 68 H THR 11 H THR 11 -10.446 0.071 1.254 69 HA THR 11 HA THR 11 -11.556 -2.467 1.756 70 HB THR 11 HB THR 11 -12.702 -0.358 -0.079 71 HG1 THR 11 HG1 THR 11 -13.779 -0.020 2.224 72 HG21 THR 11 HG21 THR 11 -13.867 -2.523 -0.086 73 HG22 THR 11 HG22 THR 11 -14.853 -1.265 0.659 74 HG23 THR 11 HG23 THR 11 -14.019 -2.446 1.669 75 H ILE 12 H ILE 12 -10.382 -0.930 -1.211 76 HA ILE 12 HA ILE 12 -11.209 -3.078 -2.900 77 HB ILE 12 HB ILE 12 -9.193 -0.876 -3.380 78 HG12 ILE 12 HG12 ILE 12 -12.089 -1.222 -4.189 79 HG13 ILE 12 HG13 ILE 12 -11.460 -0.052 -3.037 80 HG21 ILE 12 HG21 ILE 12 -8.707 -2.759 -4.838 81 HG22 ILE 12 HG22 ILE 12 -9.405 -1.433 -5.767 82 HG23 ILE 12 HG23 ILE 12 -10.395 -2.830 -5.343 83 HD11 ILE 12 HD11 ILE 12 -10.250 1.065 -4.838 84 HD12 ILE 12 HD12 ILE 12 -11.982 0.992 -5.160 85 HD13 ILE 12 HD13 ILE 12 -10.883 -0.110 -5.990 86 H ALA 13 H ALA 13 -8.412 -2.408 -0.962 87 HA ALA 13 HA ALA 13 -6.534 -4.106 -2.148 88 HB1 ALA 13 HB1 ALA 13 -6.824 -3.324 0.750 89 HB2 ALA 13 HB2 ALA 13 -5.903 -2.464 -0.486 90 HB3 ALA 13 HB3 ALA 13 -5.398 -4.073 0.035 91 H ARG 14 H ARG 14 -9.143 -4.810 0.130 92 HA ARG 14 HA ARG 14 -8.208 -7.480 0.639 93 HB2 ARG 14 HB2 ARG 14 -10.263 -7.815 1.866 94 HB3 ARG 14 HB3 ARG 14 -9.565 -6.267 2.294 95 HG2 ARG 14 HG2 ARG 14 -11.189 -5.080 1.072 96 HG3 ARG 14 HG3 ARG 14 -11.755 -6.545 0.271 97 HD2 ARG 14 HD2 ARG 14 -11.926 -6.106 3.244 98 HD3 ARG 14 HD3 ARG 14 -13.220 -5.682 2.126 99 HE ARG 14 HE ARG 14 -12.642 -8.309 1.571 100 HH11 ARG 14 HH11 ARG 14 -13.697 -6.515 4.403 101 HH12 ARG 14 HH12 ARG 14 -14.555 -7.865 5.086 102 HH21 ARG 14 HH21 ARG 14 -13.779 -10.081 2.495 103 HH22 ARG 14 HH22 ARG 14 -14.625 -9.850 4.007 104 H GLU 15 H GLU 15 -10.331 -5.954 -1.611 105 HA GLU 15 HA GLU 15 -12.054 -8.014 -2.275 106 HB2 GLU 15 HB2 GLU 15 -12.282 -5.646 -2.979 107 HB3 GLU 15 HB3 GLU 15 -10.976 -5.887 -4.130 108 HG2 GLU 15 HG2 GLU 15 -13.177 -5.969 -5.191 109 HG3 GLU 15 HG3 GLU 15 -12.304 -7.492 -5.354 110 H TRP 16 H TRP 16 -9.012 -7.154 -3.976 111 HA TRP 16 HA TRP 16 -9.215 -9.538 -5.572 112 HB2 TRP 16 HB2 TRP 16 -6.909 -8.846 -6.387 113 HB3 TRP 16 HB3 TRP 16 -8.222 -7.721 -6.705 114 HD1 TRP 16 HD1 TRP 16 -8.002 -5.310 -5.742 115 HE1 TRP 16 HE1 TRP 16 -6.206 -4.074 -4.380 116 HE3 TRP 16 HE3 TRP 16 -5.033 -9.284 -4.504 117 HZ2 TRP 16 HZ2 TRP 16 -3.844 -4.695 -2.973 118 HZ3 TRP 16 HZ3 TRP 16 -3.022 -8.874 -3.149 119 HH2 TRP 16 HH2 TRP 16 -2.447 -6.631 -2.401 120 H HIS 17 H HIS 17 -7.677 -8.660 -2.585 121 HA HIS 17 HA HIS 17 -5.767 -10.782 -2.599 122 HB2 HIS 17 HB2 HIS 17 -5.538 -8.658 -1.262 123 HB3 HIS 17 HB3 HIS 17 -6.752 -9.304 -0.160 124 HD1 HIS 17 HD1 HIS 17 -5.976 -11.008 1.558 125 HD2 HIS 17 HD2 HIS 17 -3.069 -10.125 -1.277 126 HE1 HIS 17 HE1 HIS 17 -3.871 -12.096 2.394 127 HE2 HIS 17 HE2 HIS 17 -2.177 -11.701 0.571 128 H GLU 18 H GLU 18 -9.114 -10.620 -1.733 129 HA GLU 18 HA GLU 18 -9.150 -12.585 0.275 130 HB2 GLU 18 HB2 GLU 18 -11.273 -11.459 -1.507 131 HB3 GLU 18 HB3 GLU 18 -11.628 -12.780 -0.399 132 HG2 GLU 18 HG2 GLU 18 -10.867 -11.420 1.473 133 HG3 GLU 18 HG3 GLU 18 -10.501 -10.098 0.366 134 H SER 19 H SER 19 -8.264 -13.147 -2.841 135 HA SER 19 HA SER 19 -9.336 -15.780 -3.131 136 HB2 SER 19 HB2 SER 19 -7.274 -16.005 -4.687 137 HB3 SER 19 HB3 SER 19 -8.522 -14.841 -5.130 138 HG SER 19 HG SER 19 -6.938 -13.473 -5.166 139 H ASN 20 H ASN 20 -7.231 -14.365 -1.021 140 HA ASN 20 HA ASN 20 -6.126 -15.117 0.780 141 HB2 ASN 20 HB2 ASN 20 -7.891 -16.815 1.013 142 HB3 ASN 20 HB3 ASN 20 -6.989 -17.890 -0.053 143 HD21 ASN 20 HD21 ASN 20 -7.131 -16.440 3.105 144 HD22 ASN 20 HD22 ASN 20 -5.933 -17.447 3.840 145 H LYS 21 H LYS 21 -4.202 -14.404 -0.063 146 HA LYS 21 HA LYS 21 -2.392 -16.603 -0.776 147 HB2 LYS 21 HB2 LYS 21 -2.311 -13.681 -1.430 148 HB3 LYS 21 HB3 LYS 21 -0.809 -14.593 -1.331 149 HG2 LYS 21 HG2 LYS 21 -3.136 -15.216 -3.138 150 HG3 LYS 21 HG3 LYS 21 -1.615 -14.465 -3.610 151 HD2 LYS 21 HD2 LYS 21 -0.397 -16.465 -2.943 152 HD3 LYS 21 HD3 LYS 21 -1.907 -17.222 -2.433 153 HE2 LYS 21 HE2 LYS 21 -2.735 -17.097 -4.736 154 HE3 LYS 21 HE3 LYS 21 -1.218 -16.351 -5.238 155 HZ1 LYS 21 HZ1 LYS 21 -0.035 -18.333 -4.697 156 HZ2 LYS 21 HZ2 LYS 21 -1.355 -18.777 -5.666 157 HZ3 LYS 21 HZ3 LYS 21 -1.406 -19.040 -3.996 158 H ARG 22 H ARG 22 -2.015 -17.360 1.174 159 HA ARG 22 HA ARG 22 -1.026 -17.643 3.176 160 HB2 ARG 22 HB2 ARG 22 0.625 -15.774 1.843 161 HB3 ARG 22 HB3 ARG 22 0.471 -15.224 3.506 162 HG2 ARG 22 HG2 ARG 22 1.369 -17.956 2.621 163 HG3 ARG 22 HG3 ARG 22 2.401 -16.665 3.244 164 HD2 ARG 22 HD2 ARG 22 1.232 -16.737 5.374 165 HD3 ARG 22 HD3 ARG 22 0.151 -17.985 4.757 166 HE ARG 22 HE ARG 22 2.850 -18.817 4.526 167 HH11 ARG 22 HH11 ARG 22 0.307 -18.322 6.882 168 HH12 ARG 22 HH12 ARG 22 0.904 -19.536 7.979 169 HH21 ARG 22 HH21 ARG 22 3.635 -20.438 5.957 170 HH22 ARG 22 HH22 ARG 22 2.803 -20.731 7.459 171 H TRP 23 H TRP 23 -1.293 -14.091 3.197 172 HA TRP 23 HA TRP 23 -2.155 -13.980 5.874 173 HB2 TRP 23 HB2 TRP 23 -2.852 -11.780 3.970 174 HB3 TRP 23 HB3 TRP 23 -2.233 -11.678 5.616 175 HD1 TRP 23 HD1 TRP 23 -1.118 -10.549 2.557 176 HE1 TRP 23 HE1 TRP 23 1.426 -10.728 2.196 177 HE3 TRP 23 HE3 TRP 23 -0.034 -13.948 6.218 178 HZ2 TRP 23 HZ2 TRP 23 3.595 -12.149 3.319 179 HZ3 TRP 23 HZ3 TRP 23 2.296 -14.671 6.498 180 HH2 TRP 23 HH2 TRP 23 4.061 -13.792 5.073 181 H SER 24 H SER 24 -4.053 -14.290 6.785 182 HA SER 24 HA SER 24 -6.434 -14.676 5.168 183 HB2 SER 24 HB2 SER 24 -6.006 -14.881 8.163 184 HB3 SER 24 HB3 SER 24 -7.483 -15.332 7.315 185 HG SER 24 HG SER 24 -6.564 -17.208 7.181 186 H GLU 25 H GLU 25 -8.503 -13.655 5.915 187 HA GLU 25 HA GLU 25 -8.264 -10.823 5.854 188 HB2 GLU 25 HB2 GLU 25 -10.683 -10.770 5.900 189 HB3 GLU 25 HB3 GLU 25 -10.156 -12.048 4.818 190 HG2 GLU 25 HG2 GLU 25 -11.108 -12.461 7.645 191 HG3 GLU 25 HG3 GLU 25 -12.093 -12.675 6.201 192 H ASP 26 H ASP 26 -8.902 -13.174 8.377 193 HA ASP 26 HA ASP 26 -9.616 -11.511 10.484 194 HB2 ASP 26 HB2 ASP 26 -9.723 -13.832 10.883 195 HB3 ASP 26 HB3 ASP 26 -8.060 -14.088 10.366 196 H HIS 27 H HIS 27 -6.372 -12.482 9.444 197 HA HIS 27 HA HIS 27 -5.081 -10.867 11.410 198 HB2 HIS 27 HB2 HIS 27 -4.026 -12.351 9.004 199 HB3 HIS 27 HB3 HIS 27 -2.996 -11.429 10.093 200 HD1 HIS 27 HD1 HIS 27 -2.386 -12.488 12.324 201 HD2 HIS 27 HD2 HIS 27 -5.166 -14.699 10.150 202 HE1 HIS 27 HE1 HIS 27 -2.588 -14.699 13.518 203 HE2 HIS 27 HE2 HIS 27 -4.304 -16.010 12.212 204 H ARG 28 H ARG 28 -6.101 -10.434 8.114 205 HA ARG 28 HA ARG 28 -4.697 -8.162 7.363 206 HB2 ARG 28 HB2 ARG 28 -6.252 -9.400 5.895 207 HB3 ARG 28 HB3 ARG 28 -7.611 -8.811 6.834 208 HG2 ARG 28 HG2 ARG 28 -5.748 -6.909 5.459 209 HG3 ARG 28 HG3 ARG 28 -7.066 -7.691 4.587 210 HD2 ARG 28 HD2 ARG 28 -8.655 -6.768 6.258 211 HD3 ARG 28 HD3 ARG 28 -7.311 -5.914 7.017 212 HE ARG 28 HE ARG 28 -8.649 -5.231 4.548 213 HH11 ARG 28 HH11 ARG 28 -5.811 -4.749 6.547 214 HH12 ARG 28 HH12 ARG 28 -5.366 -3.266 5.761 215 HH21 ARG 28 HH21 ARG 28 -8.052 -3.276 3.527 216 HH22 ARG 28 HH22 ARG 28 -6.621 -2.431 4.057 217 H SER 29 H SER 29 -7.583 -8.453 9.380 218 HA SER 29 HA SER 29 -7.839 -5.634 9.799 219 HB2 SER 29 HB2 SER 29 -9.046 -7.916 11.380 220 HB3 SER 29 HB3 SER 29 -9.590 -6.237 11.378 221 HG SER 29 HG SER 29 -10.071 -8.244 9.568 222 H ARG 30 H ARG 30 -6.501 -8.341 11.639 223 HA ARG 30 HA ARG 30 -5.883 -7.035 14.016 224 HB2 ARG 30 HB2 ARG 30 -4.701 -9.393 12.588 225 HB3 ARG 30 HB3 ARG 30 -3.945 -8.787 14.053 226 HG2 ARG 30 HG2 ARG 30 -5.897 -9.236 15.341 227 HG3 ARG 30 HG3 ARG 30 -6.836 -9.602 13.892 228 HD2 ARG 30 HD2 ARG 30 -5.979 -11.683 13.707 229 HD3 ARG 30 HD3 ARG 30 -4.379 -11.187 14.253 230 HE ARG 30 HE ARG 30 -5.730 -11.057 16.539 231 HH11 ARG 30 HH11 ARG 30 -5.997 -13.510 14.052 232 HH12 ARG 30 HH12 ARG 30 -6.070 -14.826 15.182 233 HH21 ARG 30 HH21 ARG 30 -5.877 -12.794 18.030 234 HH22 ARG 30 HH22 ARG 30 -6.041 -14.421 17.437 235 H VAL 31 H VAL 31 -3.869 -7.463 11.120 236 HA VAL 31 HA VAL 31 -1.639 -6.097 12.285 237 HB VAL 31 HB VAL 31 -1.472 -7.953 10.591 238 HG11 VAL 31 HG11 VAL 31 -3.166 -7.184 9.022 239 HG12 VAL 31 HG12 VAL 31 -1.605 -7.382 8.222 240 HG13 VAL 31 HG13 VAL 31 -2.184 -5.768 8.641 241 HG21 VAL 31 HG21 VAL 31 0.460 -6.601 11.180 242 HG22 VAL 31 HG22 VAL 31 0.007 -5.397 9.974 243 HG23 VAL 31 HG23 VAL 31 0.496 -7.014 9.466 244 H LEU 32 H LEU 32 -4.452 -4.979 10.804 245 HA LEU 32 HA LEU 32 -3.662 -3.067 8.991 246 HB2 LEU 32 HB2 LEU 32 -5.972 -3.734 9.320 247 HB3 LEU 32 HB3 LEU 32 -5.998 -2.958 10.889 248 HG LEU 32 HG LEU 32 -5.730 -0.768 9.829 249 HD11 LEU 32 HD11 LEU 32 -5.902 -0.545 7.394 250 HD12 LEU 32 HD12 LEU 32 -5.828 -2.300 7.233 251 HD13 LEU 32 HD13 LEU 32 -4.445 -1.412 7.874 252 HD21 LEU 32 HD21 LEU 32 -7.973 -1.620 10.236 253 HD22 LEU 32 HD22 LEU 32 -7.973 -2.408 8.659 254 HD23 LEU 32 HD23 LEU 32 -7.930 -0.649 8.764 255 H ARG 33 H ARG 33 -3.793 -2.710 12.518 256 HA ARG 33 HA ARG 33 -3.352 0.069 12.613 257 HB2 ARG 33 HB2 ARG 33 -2.508 -2.059 14.588 258 HB3 ARG 33 HB3 ARG 33 -2.409 -0.333 14.892 259 HG2 ARG 33 HG2 ARG 33 -4.352 -0.988 15.971 260 HG3 ARG 33 HG3 ARG 33 -4.929 -0.301 14.451 261 HD2 ARG 33 HD2 ARG 33 -5.324 -2.443 13.529 262 HD3 ARG 33 HD3 ARG 33 -4.432 -3.242 14.823 263 HE ARG 33 HE ARG 33 -6.698 -1.751 15.768 264 HH11 ARG 33 HH11 ARG 33 -5.657 -4.797 14.394 265 HH12 ARG 33 HH12 ARG 33 -6.984 -5.702 15.062 266 HH21 ARG 33 HH21 ARG 33 -8.419 -2.930 16.672 267 HH22 ARG 33 HH22 ARG 33 -8.547 -4.637 16.376 268 H TYR 34 H TYR 34 -1.078 -2.636 12.746 269 HA TYR 34 HA TYR 34 1.252 -1.008 12.817 270 HB2 TYR 34 HB2 TYR 34 1.177 -3.301 13.717 271 HB3 TYR 34 HB3 TYR 34 0.914 -3.930 12.098 272 HD1 TYR 34 HD1 TYR 34 3.375 -2.074 14.181 273 HD2 TYR 34 HD2 TYR 34 2.736 -4.493 10.738 274 HE1 TYR 34 HE1 TYR 34 5.807 -2.302 13.896 275 HE2 TYR 34 HE2 TYR 34 5.166 -4.720 10.442 276 HH TYR 34 HH TYR 34 7.392 -3.831 12.864 277 H LEU 35 H LEU 35 -0.729 -2.375 10.318 278 HA LEU 35 HA LEU 35 1.014 -2.334 8.143 279 HB2 LEU 35 HB2 LEU 35 -1.375 -3.271 8.360 280 HB3 LEU 35 HB3 LEU 35 -1.909 -1.653 7.958 281 HG LEU 35 HG LEU 35 -0.080 -3.229 6.150 282 HD11 LEU 35 HD11 LEU 35 -2.056 -3.862 4.876 283 HD12 LEU 35 HD12 LEU 35 -3.092 -3.109 6.089 284 HD13 LEU 35 HD13 LEU 35 -2.123 -4.521 6.511 285 HD21 LEU 35 HD21 LEU 35 -0.188 -0.817 5.759 286 HD22 LEU 35 HD22 LEU 35 -1.946 -0.910 5.649 287 HD23 LEU 35 HD23 LEU 35 -0.941 -1.712 4.441 288 H GLU 36 H GLU 36 -1.230 0.228 9.258 289 HA GLU 36 HA GLU 36 -0.318 2.024 7.233 290 HB2 GLU 36 HB2 GLU 36 -1.705 3.700 8.237 291 HB3 GLU 36 HB3 GLU 36 -2.588 2.182 8.240 292 HG2 GLU 36 HG2 GLU 36 -2.405 1.936 10.536 293 HG3 GLU 36 HG3 GLU 36 -1.048 3.059 10.642 294 H LEU 37 H LEU 37 0.627 1.375 10.542 295 HA LEU 37 HA LEU 37 2.146 3.753 10.900 296 HB2 LEU 37 HB2 LEU 37 2.334 1.066 12.259 297 HB3 LEU 37 HB3 LEU 37 3.234 2.483 12.758 298 HG LEU 37 HG LEU 37 0.226 2.230 12.762 299 HD11 LEU 37 HD11 LEU 37 2.226 2.220 15.016 300 HD12 LEU 37 HD12 LEU 37 1.246 0.857 14.475 301 HD13 LEU 37 HD13 LEU 37 0.474 2.264 15.205 302 HD21 LEU 37 HD21 LEU 37 0.273 4.362 13.970 303 HD22 LEU 37 HD22 LEU 37 0.937 4.517 12.343 304 HD23 LEU 37 HD23 LEU 37 2.018 4.451 13.733 305 H TYR 38 H TYR 38 2.717 0.804 9.246 306 HA TYR 38 HA TYR 38 5.612 1.234 9.196 307 HB2 TYR 38 HB2 TYR 38 4.567 -0.999 9.801 308 HB3 TYR 38 HB3 TYR 38 4.059 -1.121 8.123 309 HD1 TYR 38 HD1 TYR 38 7.039 -0.876 10.313 310 HD2 TYR 38 HD2 TYR 38 5.540 -1.924 6.474 311 HE1 TYR 38 HE1 TYR 38 9.196 -1.910 9.759 312 HE2 TYR 38 HE2 TYR 38 7.698 -2.956 5.907 313 HH TYR 38 HH TYR 38 10.099 -3.575 8.256 314 H ILE 39 H ILE 39 2.832 0.828 7.033 315 HA ILE 39 HA ILE 39 4.557 1.282 4.720 316 HB ILE 39 HB ILE 39 1.681 0.372 4.882 317 HG12 ILE 39 HG12 ILE 39 4.221 -1.124 4.203 318 HG13 ILE 39 HG13 ILE 39 3.316 -1.266 5.706 319 HG21 ILE 39 HG21 ILE 39 1.868 -0.116 2.489 320 HG22 ILE 39 HG22 ILE 39 3.485 0.587 2.469 321 HG23 ILE 39 HG23 ILE 39 2.084 1.606 2.808 322 HD11 ILE 39 HD11 ILE 39 2.881 -3.135 4.205 323 HD12 ILE 39 HD12 ILE 39 2.302 -2.012 2.973 324 HD13 ILE 39 HD13 ILE 39 1.422 -2.185 4.492 325 H PHE 40 H PHE 40 2.005 2.877 6.527 326 HA PHE 40 HA PHE 40 1.998 5.019 4.494 327 HB2 PHE 40 HB2 PHE 40 -0.272 4.198 6.317 328 HB3 PHE 40 HB3 PHE 40 -0.303 5.559 5.207 329 HD1 PHE 40 HD2 PHE 40 -0.192 5.108 2.736 330 HD2 PHE 40 HD1 PHE 40 -0.819 2.032 5.611 331 HE1 PHE 40 HE2 PHE 40 -1.111 3.652 0.976 332 HE2 PHE 40 HE1 PHE 40 -1.745 0.579 3.860 333 HZ PHE 40 HZ PHE 40 -1.900 1.382 1.540 334 HA PRO 41 HA PRO 41 3.311 6.772 8.624 335 HB2 PRO 41 HB2 PRO 41 5.644 7.873 7.289 336 HB3 PRO 41 HB3 PRO 41 5.572 6.753 8.650 337 HG2 PRO 41 HG2 PRO 41 6.456 6.040 6.172 338 HG3 PRO 41 HG3 PRO 41 5.698 4.906 7.305 339 HD2 PRO 41 HD2 PRO 41 4.507 6.307 4.938 340 HD3 PRO 41 HD3 PRO 41 4.280 4.632 5.490 341 H HIS 42 H HIS 42 4.286 8.456 5.613 342 HA HIS 42 HA HIS 42 2.637 10.742 6.458 343 HB2 HIS 42 HB2 HIS 42 4.867 10.537 4.435 344 HB3 HIS 42 HB3 HIS 42 3.840 11.957 4.590 345 HD1 HIS 42 HD1 HIS 42 6.888 12.093 5.028 346 HD2 HIS 42 HD2 HIS 42 4.092 11.600 8.072 347 HE1 HIS 42 HE1 HIS 42 8.010 12.920 7.124 348 HE2 HIS 42 HE2 HIS 42 6.368 12.438 8.976 349 H ILE 43 H ILE 43 2.884 8.224 4.116 350 HA ILE 43 HA ILE 43 1.402 9.691 2.111 351 HB ILE 43 HB ILE 43 1.786 7.778 0.659 352 HG12 ILE 43 HG12 ILE 43 3.174 6.527 3.046 353 HG13 ILE 43 HG13 ILE 43 1.618 6.011 2.406 354 HG21 ILE 43 HG21 ILE 43 4.251 7.914 0.613 355 HG22 ILE 43 HG22 ILE 43 4.215 8.684 2.199 356 HG23 ILE 43 HG23 ILE 43 3.487 9.490 0.811 357 HD11 ILE 43 HD11 ILE 43 4.259 5.903 0.971 358 HD12 ILE 43 HD12 ILE 43 2.707 5.428 0.287 359 HD13 ILE 43 HD13 ILE 43 3.377 4.537 1.655 360 H GLY 44 H GLY 44 0.331 8.316 4.774 361 HA2 GLY 44 HA2 GLY 44 -1.723 6.579 3.704 362 HA3 GLY 44 HA3 GLY 44 -1.530 7.065 5.383 363 H SER 45 H SER 45 -1.338 9.878 3.877 364 HA SER 45 HA SER 45 -4.120 10.524 4.317 365 HB2 SER 45 HB2 SER 45 -3.251 12.856 3.633 366 HB3 SER 45 HB3 SER 45 -2.639 12.165 5.137 367 HG SER 45 HG SER 45 -0.737 12.423 4.299 368 H SER 46 H SER 46 -2.267 9.435 1.757 369 HA SER 46 HA SER 46 -3.350 10.922 -0.398 370 HB2 SER 46 HB2 SER 46 -2.220 8.127 -0.570 371 HB3 SER 46 HB3 SER 46 -2.209 9.383 -1.808 372 HG SER 46 HG SER 46 -0.493 8.962 0.289 373 H ASP 47 H ASP 47 -5.063 10.505 -1.727 374 HA ASP 47 HA ASP 47 -6.931 8.454 -0.803 375 HB2 ASP 47 HB2 ASP 47 -7.720 10.828 -1.160 376 HB3 ASP 47 HB3 ASP 47 -7.426 10.596 -2.881 377 H ILE 48 H ILE 48 -7.854 6.959 -2.263 378 HA ILE 48 HA ILE 48 -5.976 5.822 -4.058 379 HB ILE 48 HB ILE 48 -7.631 4.497 -2.763 380 HG12 ILE 48 HG12 ILE 48 -7.838 4.115 -5.759 381 HG13 ILE 48 HG13 ILE 48 -6.494 3.569 -4.762 382 HG21 ILE 48 HG21 ILE 48 -9.939 4.304 -3.613 383 HG22 ILE 48 HG22 ILE 48 -9.620 5.637 -4.724 384 HG23 ILE 48 HG23 ILE 48 -9.576 5.911 -2.984 385 HD11 ILE 48 HD11 ILE 48 -8.003 2.088 -3.547 386 HD12 ILE 48 HD12 ILE 48 -8.005 1.748 -5.278 387 HD13 ILE 48 HD13 ILE 48 -9.344 2.636 -4.552 388 H ARG 49 H ARG 49 -8.431 8.186 -4.460 389 HA ARG 49 HA ARG 49 -8.947 7.805 -7.238 390 HB2 ARG 49 HB2 ARG 49 -10.308 9.131 -5.522 391 HB3 ARG 49 HB3 ARG 49 -9.140 10.421 -5.762 392 HG2 ARG 49 HG2 ARG 49 -9.721 10.392 -8.192 393 HG3 ARG 49 HG3 ARG 49 -11.009 9.244 -7.807 394 HD2 ARG 49 HD2 ARG 49 -10.749 12.127 -7.051 395 HD3 ARG 49 HD3 ARG 49 -12.122 11.277 -7.760 396 HE ARG 49 HE ARG 49 -11.729 10.148 -5.268 397 HH11 ARG 49 HH11 ARG 49 -12.605 13.286 -6.562 398 HH12 ARG 49 HH12 ARG 49 -13.378 13.806 -5.095 399 HH21 ARG 49 HH21 ARG 49 -12.714 10.828 -3.357 400 HH22 ARG 49 HH22 ARG 49 -13.416 12.418 -3.254 401 H GLN 50 H GLN 50 -6.510 9.494 -5.404 402 HA GLN 50 HA GLN 50 -5.071 10.072 -7.870 403 HB2 GLN 50 HB2 GLN 50 -6.452 12.091 -7.119 404 HB3 GLN 50 HB3 GLN 50 -5.389 12.170 -5.724 405 HG2 GLN 50 HG2 GLN 50 -4.275 12.213 -8.500 406 HG3 GLN 50 HG3 GLN 50 -4.929 13.667 -7.761 407 HE21 GLN 50 HE21 GLN 50 -2.312 11.407 -7.799 408 HE22 GLN 50 HE22 GLN 50 -1.293 12.260 -6.695 409 H LEU 51 H LEU 51 -3.684 8.414 -7.258 410 HA LEU 51 HA LEU 51 -2.209 8.750 -4.762 411 HB2 LEU 51 HB2 LEU 51 -3.116 6.507 -5.525 412 HB3 LEU 51 HB3 LEU 51 -1.904 6.540 -6.791 413 HG LEU 51 HG LEU 51 -0.119 6.560 -5.119 414 HD11 LEU 51 HD11 LEU 51 -2.361 6.414 -3.108 415 HD12 LEU 51 HD12 LEU 51 -1.261 7.772 -3.344 416 HD13 LEU 51 HD13 LEU 51 -0.645 6.231 -2.748 417 HD21 LEU 51 HD21 LEU 51 -2.157 4.393 -4.648 418 HD22 LEU 51 HD22 LEU 51 -0.444 4.307 -4.236 419 HD23 LEU 51 HD23 LEU 51 -0.943 4.415 -5.924 420 H LYS 52 H LYS 52 0.214 8.446 -4.922 421 HA LYS 52 HA LYS 52 1.104 10.304 -7.013 422 HB2 LYS 52 HB2 LYS 52 2.248 9.798 -4.261 423 HB3 LYS 52 HB3 LYS 52 2.829 10.998 -5.411 424 HG2 LYS 52 HG2 LYS 52 1.289 12.474 -4.785 425 HG3 LYS 52 HG3 LYS 52 -0.009 11.287 -4.926 426 HD2 LYS 52 HD2 LYS 52 0.610 10.398 -2.708 427 HD3 LYS 52 HD3 LYS 52 1.832 11.663 -2.567 428 HE2 LYS 52 HE2 LYS 52 0.102 13.373 -2.700 429 HE3 LYS 52 HE3 LYS 52 -1.131 12.129 -2.908 430 HZ1 LYS 52 HZ1 LYS 52 -0.577 11.282 -0.705 431 HZ2 LYS 52 HZ2 LYS 52 -1.064 12.904 -0.633 432 HZ3 LYS 52 HZ3 LYS 52 0.580 12.503 -0.507 433 H THR 53 H THR 53 3.548 10.172 -7.371 434 HA THR 53 HA THR 53 4.147 7.477 -8.226 435 HB THR 53 HB THR 53 6.264 8.810 -9.115 436 HG1 THR 53 HG1 THR 53 5.602 10.978 -9.610 437 HG21 THR 53 HG21 THR 53 3.493 9.046 -10.298 438 HG22 THR 53 HG22 THR 53 4.598 7.685 -10.504 439 HG23 THR 53 HG23 THR 53 5.009 9.266 -11.173 440 H SER 54 H SER 54 6.996 7.771 -8.220 441 HA SER 54 HA SER 54 7.552 6.290 -5.934 442 HB2 SER 54 HB2 SER 54 9.592 7.769 -7.582 443 HB3 SER 54 HB3 SER 54 9.793 6.246 -6.716 444 HG SER 54 HG SER 54 9.472 5.868 -8.930 445 H HIS 55 H HIS 55 6.910 9.491 -5.767 446 HA HIS 55 HA HIS 55 9.003 10.428 -4.069 447 HB2 HIS 55 HB2 HIS 55 6.137 11.380 -4.307 448 HB3 HIS 55 HB3 HIS 55 7.419 12.231 -3.453 449 HD1 HIS 55 HD1 HIS 55 8.869 13.774 -4.810 450 HD2 HIS 55 HD2 HIS 55 6.545 11.256 -7.164 451 HE1 HIS 55 HE1 HIS 55 9.157 14.596 -7.167 452 HE2 HIS 55 HE2 HIS 55 7.899 12.942 -8.592 453 H LEU 56 H LEU 56 6.078 8.617 -3.642 454 HA LEU 56 HA LEU 56 6.070 8.770 -0.783 455 HB2 LEU 56 HB2 LEU 56 4.350 6.941 -0.962 456 HB3 LEU 56 HB3 LEU 56 3.958 8.453 -1.748 457 HG LEU 56 HG LEU 56 4.755 7.333 -3.916 458 HD11 LEU 56 HD11 LEU 56 5.882 5.423 -2.898 459 HD12 LEU 56 HD12 LEU 56 4.583 4.905 -3.971 460 HD13 LEU 56 HD13 LEU 56 4.349 4.873 -2.224 461 HD21 LEU 56 HD21 LEU 56 2.430 7.843 -3.408 462 HD22 LEU 56 HD22 LEU 56 2.286 6.332 -2.510 463 HD23 LEU 56 HD23 LEU 56 2.568 6.300 -4.250 464 H LEU 57 H LEU 57 7.916 7.066 -2.990 465 HA LEU 57 HA LEU 57 8.284 4.622 -1.581 466 HB2 LEU 57 HB2 LEU 57 8.759 4.750 -3.938 467 HB3 LEU 57 HB3 LEU 57 9.937 6.020 -3.679 468 HG LEU 57 HG LEU 57 11.387 4.413 -2.489 469 HD11 LEU 57 HD11 LEU 57 10.893 2.028 -2.614 470 HD12 LEU 57 HD12 LEU 57 9.320 2.390 -3.325 471 HD13 LEU 57 HD13 LEU 57 9.677 2.892 -1.672 472 HD21 LEU 57 HD21 LEU 57 10.543 3.521 -5.242 473 HD22 LEU 57 HD22 LEU 57 12.076 3.149 -4.454 474 HD23 LEU 57 HD23 LEU 57 11.687 4.815 -4.883 475 H ALA 58 H ALA 58 9.635 7.801 -1.264 476 HA ALA 58 HA ALA 58 12.114 7.245 -0.136 477 HB1 ALA 58 HB1 ALA 58 11.444 9.479 -0.856 478 HB2 ALA 58 HB2 ALA 58 12.047 9.492 0.801 479 HB3 ALA 58 HB3 ALA 58 10.311 9.578 0.492 480 HA PRO 59 HA PRO 59 9.786 7.308 4.301 481 HB2 PRO 59 HB2 PRO 59 7.327 6.069 3.133 482 HB3 PRO 59 HB3 PRO 59 7.507 7.085 4.566 483 HG2 PRO 59 HG2 PRO 59 6.565 8.125 2.324 484 HG3 PRO 59 HG3 PRO 59 7.722 9.038 3.312 485 HD2 PRO 59 HD2 PRO 59 8.152 7.586 0.746 486 HD3 PRO 59 HD3 PRO 59 8.903 9.081 1.340 487 H ILE 60 H ILE 60 8.836 4.856 1.888 488 HA ILE 60 HA ILE 60 9.118 2.634 3.602 489 HB ILE 60 HB ILE 60 9.376 2.698 0.586 490 HG12 ILE 60 HG12 ILE 60 7.265 3.698 1.296 491 HG13 ILE 60 HG13 ILE 60 6.973 2.121 0.569 492 HG21 ILE 60 HG21 ILE 60 10.196 0.616 1.576 493 HG22 ILE 60 HG22 ILE 60 8.708 0.353 0.667 494 HG23 ILE 60 HG23 ILE 60 8.665 0.416 2.428 495 HD11 ILE 60 HD11 ILE 60 5.591 2.457 2.531 496 HD12 ILE 60 HD12 ILE 60 7.029 2.724 3.516 497 HD13 ILE 60 HD13 ILE 60 6.740 1.143 2.791 498 H LYS 61 H LYS 61 11.332 4.406 1.593 499 HA LYS 61 HA LYS 61 13.425 2.479 1.644 500 HB2 LYS 61 HB2 LYS 61 13.271 5.344 0.796 501 HB3 LYS 61 HB3 LYS 61 14.830 4.529 0.911 502 HG2 LYS 61 HG2 LYS 61 12.484 3.738 -0.802 503 HG3 LYS 61 HG3 LYS 61 14.064 4.322 -1.340 504 HD2 LYS 61 HD2 LYS 61 15.128 2.348 -0.386 505 HD3 LYS 61 HD3 LYS 61 13.572 1.772 0.197 506 HE2 LYS 61 HE2 LYS 61 12.766 1.480 -2.048 507 HE3 LYS 61 HE3 LYS 61 14.221 2.225 -2.713 508 HZ1 LYS 61 HZ1 LYS 61 14.084 -0.305 -2.719 509 HZ2 LYS 61 HZ2 LYS 61 14.368 -0.223 -1.049 510 HZ3 LYS 61 HZ3 LYS 61 15.513 0.392 -2.134 511 H GLU 62 H GLU 62 12.434 4.961 3.821 512 HA GLU 62 HA GLU 62 14.691 5.305 5.393 513 HB2 GLU 62 HB2 GLU 62 11.799 5.028 6.231 514 HB3 GLU 62 HB3 GLU 62 13.082 5.589 7.283 515 HG2 GLU 62 HG2 GLU 62 13.439 7.523 5.891 516 HG3 GLU 62 HG3 GLU 62 12.240 6.939 4.736 517 H VAL 63 H VAL 63 12.351 2.673 5.317 518 HA VAL 63 HA VAL 63 13.481 1.161 7.451 519 HB VAL 63 HB VAL 63 11.779 0.206 5.136 520 HG11 VAL 63 HG11 VAL 63 12.341 -1.066 7.811 521 HG12 VAL 63 HG12 VAL 63 12.953 -1.616 6.251 522 HG13 VAL 63 HG13 VAL 63 11.223 -1.680 6.593 523 HG21 VAL 63 HG21 VAL 63 9.903 0.389 6.727 524 HG22 VAL 63 HG22 VAL 63 10.642 1.949 6.376 525 HG23 VAL 63 HG23 VAL 63 10.992 1.130 7.898 526 H ASP 64 H ASP 64 13.672 0.965 3.932 527 HA ASP 64 HA ASP 64 15.302 -1.242 3.581 528 HB2 ASP 64 HB2 ASP 64 14.115 0.009 1.797 529 HB3 ASP 64 HB3 ASP 64 15.260 1.327 1.970 530 H THR 65 H THR 65 16.205 2.090 4.300 531 HA THR 65 HA THR 65 18.991 1.822 3.976 532 HB THR 65 HB THR 65 17.527 3.692 5.850 533 HG1 THR 65 HG1 THR 65 16.702 4.075 3.833 534 HG21 THR 65 HG21 THR 65 19.471 5.157 5.510 535 HG22 THR 65 HG22 THR 65 20.235 3.912 4.524 536 HG23 THR 65 HG23 THR 65 19.944 3.623 6.239 537 H SER 66 H SER 66 16.874 1.295 6.750 538 HA SER 66 HA SER 66 18.941 0.620 8.593 539 HB2 SER 66 HB2 SER 66 16.758 1.319 9.407 540 HB3 SER 66 HB3 SER 66 15.974 -0.004 8.548 541 HG SER 66 HG SER 66 16.634 -0.099 10.985 542 H GLY 67 H GLY 67 16.799 -1.194 6.465 543 HA2 GLY 67 HA2 GLY 67 18.416 -3.047 5.464 544 HA3 GLY 67 HA3 GLY 67 18.030 -3.723 7.050 545 H LYS 68 H LYS 68 16.829 -5.394 6.183 546 HA LYS 68 HA LYS 68 14.899 -6.475 5.623 547 HB2 LYS 68 HB2 LYS 68 13.802 -3.836 6.600 548 HB3 LYS 68 HB3 LYS 68 12.806 -5.247 6.265 549 HG2 LYS 68 HG2 LYS 68 13.401 -6.272 8.158 550 HG3 LYS 68 HG3 LYS 68 15.082 -5.759 8.034 551 HD2 LYS 68 HD2 LYS 68 12.810 -3.972 8.900 552 HD3 LYS 68 HD3 LYS 68 13.886 -4.826 10.008 553 HE2 LYS 68 HE2 LYS 68 15.806 -3.652 8.891 554 HE3 LYS 68 HE3 LYS 68 14.623 -2.689 8.013 555 HZ1 LYS 68 HZ1 LYS 68 14.694 -2.816 10.976 556 HZ2 LYS 68 HZ2 LYS 68 13.870 -1.697 9.998 557 HZ3 LYS 68 HZ3 LYS 68 15.560 -1.661 10.086 558 H HIS 69 H HIS 69 16.287 -5.082 3.556 559 HA HIS 69 HA HIS 69 14.659 -3.392 2.025 560 HB2 HIS 69 HB2 HIS 69 16.311 -3.523 0.316 561 HB3 HIS 69 HB3 HIS 69 17.168 -3.614 1.848 562 HD1 HIS 69 HD1 HIS 69 18.274 -5.919 2.452 563 HD2 HIS 69 HD2 HIS 69 16.535 -5.740 -1.325 564 HE1 HIS 69 HE1 HIS 69 19.125 -7.935 1.211 565 HE2 HIS 69 HE2 HIS 69 17.908 -7.904 -1.003 566 H ASP 70 H ASP 70 14.942 -6.896 2.058 567 HA ASP 70 HA ASP 70 13.630 -7.321 -0.436 568 HB2 ASP 70 HB2 ASP 70 15.012 -9.077 0.516 569 HB3 ASP 70 HB3 ASP 70 13.973 -9.166 1.936 570 H VAL 71 H VAL 71 12.496 -7.586 2.928 571 HA VAL 71 HA VAL 71 9.822 -8.143 2.205 572 HB VAL 71 HB VAL 71 10.772 -8.726 4.414 573 HG11 VAL 71 HG11 VAL 71 12.049 -6.710 4.867 574 HG12 VAL 71 HG12 VAL 71 10.919 -7.043 6.179 575 HG13 VAL 71 HG13 VAL 71 10.558 -5.778 5.002 576 HG21 VAL 71 HG21 VAL 71 8.373 -8.710 4.124 577 HG22 VAL 71 HG22 VAL 71 8.313 -6.991 4.512 578 HG23 VAL 71 HG23 VAL 71 8.794 -8.156 5.745 579 H ALA 72 H ALA 72 11.555 -5.145 2.841 580 HA ALA 72 HA ALA 72 9.367 -3.399 2.935 581 HB1 ALA 72 HB1 ALA 72 11.652 -2.737 3.532 582 HB2 ALA 72 HB2 ALA 72 10.943 -1.639 2.350 583 HB3 ALA 72 HB3 ALA 72 12.123 -2.844 1.835 584 H GLN 73 H GLN 73 11.377 -4.373 0.155 585 HA GLN 73 HA GLN 73 9.976 -2.947 -1.802 586 HB2 GLN 73 HB2 GLN 73 11.646 -5.449 -1.939 587 HB3 GLN 73 HB3 GLN 73 11.020 -4.630 -3.352 588 HG2 GLN 73 HG2 GLN 73 12.461 -2.885 -1.512 589 HG3 GLN 73 HG3 GLN 73 13.438 -4.172 -2.211 590 HE21 GLN 73 HE21 GLN 73 11.785 -4.194 -4.659 591 HE22 GLN 73 HE22 GLN 73 12.269 -2.804 -5.562 592 H ARG 74 H ARG 74 9.632 -6.282 -0.676 593 HA ARG 74 HA ARG 74 7.607 -6.999 -2.493 594 HB2 ARG 74 HB2 ARG 74 9.015 -8.520 -0.971 595 HB3 ARG 74 HB3 ARG 74 7.816 -8.167 0.270 596 HG2 ARG 74 HG2 ARG 74 7.294 -10.254 -0.860 597 HG3 ARG 74 HG3 ARG 74 6.054 -9.039 -1.191 598 HD2 ARG 74 HD2 ARG 74 7.283 -8.511 -3.316 599 HD3 ARG 74 HD3 ARG 74 8.296 -9.917 -3.002 600 HE ARG 74 HE ARG 74 5.668 -10.793 -2.887 601 HH11 ARG 74 HH11 ARG 74 7.825 -9.381 -5.266 602 HH12 ARG 74 HH12 ARG 74 7.027 -10.119 -6.615 603 HH21 ARG 74 HH21 ARG 74 4.601 -11.745 -4.677 604 HH22 ARG 74 HH22 ARG 74 5.207 -11.462 -6.285 605 H LEU 75 H LEU 75 7.455 -5.511 0.712 606 HA LEU 75 HA LEU 75 4.612 -5.666 0.889 607 HB2 LEU 75 HB2 LEU 75 6.785 -4.549 2.509 608 HB3 LEU 75 HB3 LEU 75 5.274 -3.668 2.619 609 HG LEU 75 HG LEU 75 5.509 -5.354 4.398 610 HD11 LEU 75 HD11 LEU 75 3.285 -4.720 3.656 611 HD12 LEU 75 HD12 LEU 75 3.328 -6.424 4.107 612 HD13 LEU 75 HD13 LEU 75 3.333 -5.963 2.405 613 HD21 LEU 75 HD21 LEU 75 5.445 -7.352 2.141 614 HD22 LEU 75 HD22 LEU 75 5.383 -7.729 3.863 615 HD23 LEU 75 HD23 LEU 75 6.833 -7.001 3.172 616 H GLN 76 H GLN 76 6.858 -3.046 -0.029 617 HA GLN 76 HA GLN 76 4.979 -0.987 -0.237 618 HB2 GLN 76 HB2 GLN 76 6.539 0.075 -1.831 619 HB3 GLN 76 HB3 GLN 76 7.347 -0.497 -0.382 620 HG2 GLN 76 HG2 GLN 76 8.206 -2.398 -1.583 621 HG3 GLN 76 HG3 GLN 76 7.294 -1.942 -3.018 622 HE21 GLN 76 HE21 GLN 76 8.001 -0.251 -4.283 623 HE22 GLN 76 HE22 GLN 76 9.582 0.426 -4.129 624 H GLN 77 H GLN 77 5.810 -3.523 -2.444 625 HA GLN 77 HA GLN 77 4.623 -2.745 -4.798 626 HB2 GLN 77 HB2 GLN 77 5.992 -4.781 -4.478 627 HB3 GLN 77 HB3 GLN 77 4.648 -5.531 -3.631 628 HG2 GLN 77 HG2 GLN 77 3.294 -5.360 -5.681 629 HG3 GLN 77 HG3 GLN 77 4.690 -4.684 -6.519 630 HE21 GLN 77 HE21 GLN 77 3.300 -7.531 -5.098 631 HE22 GLN 77 HE22 GLN 77 4.396 -8.667 -5.799 632 H ARG 78 H ARG 78 3.004 -3.682 -1.845 633 HA ARG 78 HA ARG 78 0.529 -4.491 -2.908 634 HB2 ARG 78 HB2 ARG 78 -0.407 -4.120 -0.738 635 HB3 ARG 78 HB3 ARG 78 1.218 -4.734 -0.510 636 HG2 ARG 78 HG2 ARG 78 1.340 -3.078 0.997 637 HG3 ARG 78 HG3 ARG 78 1.702 -2.091 -0.419 638 HD2 ARG 78 HD2 ARG 78 0.033 -0.943 0.825 639 HD3 ARG 78 HD3 ARG 78 -0.753 -1.617 -0.600 640 HE ARG 78 HE ARG 78 -1.053 -3.474 1.443 641 HH11 ARG 78 HH11 ARG 78 -2.070 -0.221 0.701 642 HH12 ARG 78 HH12 ARG 78 -3.491 -0.281 1.709 643 HH21 ARG 78 HH21 ARG 78 -2.950 -3.560 2.777 644 HH22 ARG 78 HH22 ARG 78 -3.983 -2.165 2.883 645 H VAL 79 H VAL 79 1.892 -1.344 -2.329 646 HA VAL 79 HA VAL 79 -0.492 0.159 -2.759 647 HB VAL 79 HB VAL 79 2.387 1.039 -3.100 648 HG11 VAL 79 HG11 VAL 79 1.533 3.299 -2.754 649 HG12 VAL 79 HG12 VAL 79 -0.113 2.670 -2.668 650 HG13 VAL 79 HG13 VAL 79 0.798 2.551 -4.174 651 HG21 VAL 79 HG21 VAL 79 0.589 1.244 -0.688 652 HG22 VAL 79 HG22 VAL 79 2.222 1.896 -0.825 653 HG23 VAL 79 HG23 VAL 79 1.963 0.152 -0.863 654 H THR 80 H THR 80 2.172 -0.918 -4.792 655 HA THR 80 HA THR 80 1.369 0.377 -7.171 656 HB THR 80 HB THR 80 2.920 -2.211 -7.025 657 HG1 THR 80 HG1 THR 80 4.038 0.396 -6.795 658 HG21 THR 80 HG21 THR 80 4.072 -1.299 -8.982 659 HG22 THR 80 HG22 THR 80 3.094 0.165 -8.890 660 HG23 THR 80 HG23 THR 80 2.333 -1.380 -9.270 661 H ALA 81 H ALA 81 0.585 -2.734 -5.715 662 HA ALA 81 HA ALA 81 -0.810 -3.859 -7.894 663 HB1 ALA 81 HB1 ALA 81 -0.068 -5.174 -5.966 664 HB2 ALA 81 HB2 ALA 81 -1.799 -5.369 -6.252 665 HB3 ALA 81 HB3 ALA 81 -1.233 -4.330 -4.943 666 H ILE 82 H ILE 82 -1.835 -1.764 -5.240 667 HA ILE 82 HA ILE 82 -4.586 -1.714 -5.810 668 HB ILE 82 HB ILE 82 -2.850 0.465 -4.630 669 HG12 ILE 82 HG12 ILE 82 -2.821 -1.604 -3.327 670 HG13 ILE 82 HG13 ILE 82 -3.711 -0.350 -2.472 671 HG21 ILE 82 HG21 ILE 82 -5.851 0.175 -4.606 672 HG22 ILE 82 HG22 ILE 82 -4.929 1.393 -5.488 673 HG23 ILE 82 HG23 ILE 82 -4.930 1.393 -3.723 674 HD11 ILE 82 HD11 ILE 82 -5.815 -1.355 -3.186 675 HD12 ILE 82 HD12 ILE 82 -4.818 -2.498 -2.286 676 HD13 ILE 82 HD13 ILE 82 -4.920 -2.611 -4.042 677 H MET 83 H MET 83 -1.892 0.230 -7.018 678 HA MET 83 HA MET 83 -3.326 2.078 -8.535 679 HB2 MET 83 HB2 MET 83 -0.564 0.934 -8.813 680 HB3 MET 83 HB3 MET 83 -1.180 2.105 -9.965 681 HG2 MET 83 HG2 MET 83 -1.154 2.639 -7.017 682 HG3 MET 83 HG3 MET 83 0.239 2.966 -8.043 683 HE1 MET 83 HE1 MET 83 -3.694 3.453 -8.595 684 HE2 MET 83 HE2 MET 83 -3.819 5.179 -8.254 685 HE3 MET 83 HE3 MET 83 -3.353 4.056 -6.974 686 H ARG 84 H ARG 84 -2.417 -1.226 -9.256 687 HA ARG 84 HA ARG 84 -2.932 -1.223 -12.016 688 HB2 ARG 84 HB2 ARG 84 -1.826 -3.074 -10.708 689 HB3 ARG 84 HB3 ARG 84 -3.421 -3.523 -10.118 690 HG2 ARG 84 HG2 ARG 84 -3.884 -3.488 -12.774 691 HG3 ARG 84 HG3 ARG 84 -2.184 -3.954 -12.748 692 HD2 ARG 84 HD2 ARG 84 -4.426 -5.320 -11.272 693 HD3 ARG 84 HD3 ARG 84 -3.635 -5.912 -12.730 694 HE ARG 84 HE ARG 84 -1.545 -5.796 -11.150 695 HH11 ARG 84 HH11 ARG 84 -4.802 -6.812 -10.335 696 HH12 ARG 84 HH12 ARG 84 -4.277 -7.970 -9.146 697 HH21 ARG 84 HH21 ARG 84 -0.852 -7.311 -9.593 698 HH22 ARG 84 HH22 ARG 84 -2.022 -8.264 -8.731 699 H TYR 85 H TYR 85 -5.043 -2.295 -9.339 700 HA TYR 85 HA TYR 85 -7.323 -2.689 -10.949 701 HB2 TYR 85 HB2 TYR 85 -6.802 -3.530 -8.540 702 HB3 TYR 85 HB3 TYR 85 -7.491 -1.994 -8.025 703 HD1 TYR 85 HD2 TYR 85 -9.897 -1.464 -8.762 704 HD2 TYR 85 HD1 TYR 85 -8.176 -5.345 -9.053 705 HE1 TYR 85 HE2 TYR 85 -12.149 -2.446 -8.894 706 HE2 TYR 85 HE1 TYR 85 -10.420 -6.335 -9.189 707 HH TYR 85 HH TYR 85 -13.140 -4.644 -9.897 708 H ALA 86 H ALA 86 -6.102 0.098 -9.197 709 HA ALA 86 HA ALA 86 -8.362 1.749 -9.296 710 HB1 ALA 86 HB1 ALA 86 -6.375 2.221 -7.939 711 HB2 ALA 86 HB2 ALA 86 -6.830 3.596 -8.946 712 HB3 ALA 86 HB3 ALA 86 -5.467 2.577 -9.407 713 H VAL 87 H VAL 87 -5.638 1.500 -11.573 714 HA VAL 87 HA VAL 87 -6.739 3.414 -13.381 715 HB VAL 87 HB VAL 87 -4.578 1.351 -13.851 716 HG11 VAL 87 HG11 VAL 87 -3.898 2.755 -15.728 717 HG12 VAL 87 HG12 VAL 87 -5.253 3.840 -15.422 718 HG13 VAL 87 HG13 VAL 87 -5.553 2.183 -15.947 719 HG21 VAL 87 HG21 VAL 87 -4.413 4.256 -13.061 720 HG22 VAL 87 HG22 VAL 87 -3.039 3.224 -13.459 721 HG23 VAL 87 HG23 VAL 87 -4.025 2.872 -12.039 722 H GLN 88 H GLN 88 -6.858 -0.081 -13.079 723 HA GLN 88 HA GLN 88 -8.144 -0.624 -15.538 724 HB2 GLN 88 HB2 GLN 88 -8.141 -2.084 -12.904 725 HB3 GLN 88 HB3 GLN 88 -8.981 -2.688 -14.325 726 HG2 GLN 88 HG2 GLN 88 -6.837 -2.714 -15.538 727 HG3 GLN 88 HG3 GLN 88 -6.022 -2.187 -14.063 728 HE21 GLN 88 HE21 GLN 88 -7.605 -4.799 -15.690 729 HE22 GLN 88 HE22 GLN 88 -7.159 -6.039 -14.576 730 H ASN 89 H ASN 89 -9.250 0.689 -12.539 731 HA ASN 89 HA ASN 89 -12.013 0.105 -12.950 732 HB2 ASN 89 HB2 ASN 89 -10.579 0.817 -10.770 733 HB3 ASN 89 HB3 ASN 89 -11.286 2.375 -11.196 734 HD21 ASN 89 HD21 ASN 89 -13.663 1.165 -12.361 735 HD22 ASN 89 HD22 ASN 89 -14.610 0.597 -11.038 736 H ASP 90 H ASP 90 -9.916 2.204 -14.420 737 HA ASP 90 HA ASP 90 -10.220 3.647 -16.134 738 HB2 ASP 90 HB2 ASP 90 -13.051 2.668 -15.861 739 HB3 ASP 90 HB3 ASP 90 -12.595 3.869 -17.064 740 H TYR 91 H TYR 91 -10.542 4.621 -13.253 741 HA TYR 91 HA TYR 91 -12.070 7.031 -13.934 742 HB2 TYR 91 HB2 TYR 91 -12.129 7.580 -11.557 743 HB3 TYR 91 HB3 TYR 91 -12.809 5.993 -11.868 744 HD1 TYR 91 HD2 TYR 91 -9.809 7.749 -10.589 745 HD2 TYR 91 HD1 TYR 91 -11.981 4.098 -10.751 746 HE1 TYR 91 HE2 TYR 91 -8.371 6.826 -8.824 747 HE2 TYR 91 HE1 TYR 91 -10.553 3.164 -8.981 748 HH TYR 91 HH TYR 91 -8.269 5.140 -7.232 749 H ILE 92 H ILE 92 -8.919 5.926 -13.785 750 HA ILE 92 HA ILE 92 -7.974 8.668 -14.136 751 HB ILE 92 HB ILE 92 -5.837 8.069 -12.950 752 HG12 ILE 92 HG12 ILE 92 -7.531 5.832 -11.819 753 HG13 ILE 92 HG13 ILE 92 -6.149 5.633 -12.886 754 HG21 ILE 92 HG21 ILE 92 -7.413 9.594 -11.963 755 HG22 ILE 92 HG22 ILE 92 -6.718 8.565 -10.710 756 HG23 ILE 92 HG23 ILE 92 -8.350 8.253 -11.304 757 HD11 ILE 92 HD11 ILE 92 -4.690 6.578 -11.172 758 HD12 ILE 92 HD12 ILE 92 -5.551 5.153 -10.588 759 HD13 ILE 92 HD13 ILE 92 -6.075 6.765 -10.098 760 H ASP 93 H ASP 93 -6.388 8.889 -15.677 761 HA ASP 93 HA ASP 93 -5.448 6.395 -16.946 762 HB2 ASP 93 HB2 ASP 93 -6.983 7.464 -18.444 763 HB3 ASP 93 HB3 ASP 93 -6.175 9.012 -18.265 764 H SER 94 H SER 94 -3.608 6.401 -15.686 765 HA SER 94 HA SER 94 -1.441 7.860 -16.858 766 HB2 SER 94 HB2 SER 94 -2.038 8.294 -13.920 767 HB3 SER 94 HB3 SER 94 -0.616 8.854 -14.780 768 HG SER 94 HG SER 94 -2.853 9.666 -16.043 769 H ASN 95 H ASN 95 -2.427 5.970 -14.029 770 HA ASN 95 HA ASN 95 -1.584 4.198 -12.953 771 HB2 ASN 95 HB2 ASN 95 -1.790 3.287 -15.374 772 HB3 ASN 95 HB3 ASN 95 -0.035 3.416 -15.404 773 HD21 ASN 95 HD21 ASN 95 0.293 2.778 -12.593 774 HD22 ASN 95 HD22 ASN 95 -0.047 1.097 -12.432 775 HA PRO 96 HA PRO 96 2.478 6.154 -12.116 776 HB2 PRO 96 HB2 PRO 96 1.521 6.520 -9.411 777 HB3 PRO 96 HB3 PRO 96 1.974 7.755 -10.587 778 HG2 PRO 96 HG2 PRO 96 -0.585 7.354 -9.713 779 HG3 PRO 96 HG3 PRO 96 -0.178 8.053 -11.292 780 HD2 PRO 96 HD2 PRO 96 -0.992 5.250 -10.608 781 HD3 PRO 96 HD3 PRO 96 -1.465 6.257 -11.991 782 H ALA 97 H ALA 97 3.587 5.719 -9.730 783 HA ALA 97 HA ALA 97 4.657 4.226 -8.406 784 HB1 ALA 97 HB1 ALA 97 3.437 2.313 -7.538 785 HB2 ALA 97 HB2 ALA 97 2.205 2.514 -8.784 786 HB3 ALA 97 HB3 ALA 97 2.416 3.752 -7.547 787 H SER 98 H SER 98 4.336 3.864 -11.553 788 HA SER 98 HA SER 98 5.041 1.190 -12.094 789 HB2 SER 98 HB2 SER 98 5.870 2.270 -14.288 790 HB3 SER 98 HB3 SER 98 4.160 2.455 -13.885 791 HG SER 98 HG SER 98 5.269 4.432 -14.541 792 H ASP 99 H ASP 99 6.945 4.114 -11.584 793 HA ASP 99 HA ASP 99 9.448 2.650 -11.826 794 HB2 ASP 99 HB2 ASP 99 9.137 4.964 -12.759 795 HB3 ASP 99 HB3 ASP 99 9.003 5.557 -11.109 796 H MET 100 H MET 100 7.186 3.191 -9.493 797 HA MET 100 HA MET 100 8.837 3.741 -7.227 798 HB2 MET 100 HB2 MET 100 6.433 4.357 -7.384 799 HB3 MET 100 HB3 MET 100 6.016 2.653 -7.345 800 HG2 MET 100 HG2 MET 100 7.592 3.893 -5.130 801 HG3 MET 100 HG3 MET 100 5.839 4.049 -5.194 802 HE1 MET 100 HE1 MET 100 5.529 2.887 -2.848 803 HE2 MET 100 HE2 MET 100 7.285 2.818 -2.719 804 HE3 MET 100 HE3 MET 100 6.322 1.376 -2.400 805 H ALA 101 H ALA 101 7.087 0.853 -8.347 806 HA ALA 101 HA ALA 101 8.973 -0.782 -6.791 807 HB1 ALA 101 HB1 ALA 101 7.360 -2.602 -7.004 808 HB2 ALA 101 HB2 ALA 101 6.304 -1.570 -7.967 809 HB3 ALA 101 HB3 ALA 101 6.611 -1.184 -6.273 810 H GLY 102 H GLY 102 10.581 -0.337 -8.432 811 HA2 GLY 102 HA2 GLY 102 10.147 -1.921 -10.888 812 HA3 GLY 102 HA3 GLY 102 11.047 -0.413 -10.875 813 H ALA 103 H ALA 103 12.819 -1.530 -11.796 814 HA ALA 103 HA ALA 103 14.011 -3.765 -10.484 815 HB1 ALA 103 HB1 ALA 103 15.126 -1.981 -12.644 816 HB2 ALA 103 HB2 ALA 103 14.196 -3.457 -12.903 817 HB3 ALA 103 HB3 ALA 103 15.786 -3.536 -12.141 818 H LEU 104 H LEU 104 14.387 -3.048 -8.382 819 HA LEU 104 HA LEU 104 16.590 -1.117 -8.080 820 HB2 LEU 104 HB2 LEU 104 14.318 -0.893 -6.837 821 HB3 LEU 104 HB3 LEU 104 14.912 -2.197 -5.829 822 HG LEU 104 HG LEU 104 15.239 0.051 -4.831 823 HD11 LEU 104 HD11 LEU 104 16.715 -1.798 -4.195 824 HD12 LEU 104 HD12 LEU 104 17.543 -0.242 -4.145 825 HD13 LEU 104 HD13 LEU 104 17.825 -1.348 -5.489 826 HD21 LEU 104 HD21 LEU 104 15.603 1.309 -6.876 827 HD22 LEU 104 HD22 LEU 104 17.123 0.458 -7.148 828 HD23 LEU 104 HD23 LEU 104 16.952 1.534 -5.760 829 H SER 105 H SER 105 15.487 -3.879 -6.136 830 HA SER 105 HA SER 105 18.239 -4.908 -6.165 831 HB2 SER 105 HB2 SER 105 17.337 -4.364 -3.933 832 HB3 SER 105 HB3 SER 105 15.982 -5.454 -4.215 833 HG SER 105 HG SER 105 17.990 -6.958 -4.667 834 H THR 106 H THR 106 15.957 -5.251 -8.126 835 HA THR 106 HA THR 106 16.091 -8.137 -8.342 836 HB THR 106 HB THR 106 13.985 -7.688 -7.126 837 HG1 THR 106 HG1 THR 106 12.992 -9.173 -8.273 838 HG21 THR 106 HG21 THR 106 12.158 -6.492 -8.228 839 HG22 THR 106 HG22 THR 106 13.234 -6.071 -9.561 840 HG23 THR 106 HG23 THR 106 13.539 -5.434 -7.944 841 H THR 107 H THR 107 14.990 -8.746 -10.472 842 HA THR 107 HA THR 107 14.899 -8.681 -12.735 843 HB THR 107 HB THR 107 15.277 -5.691 -12.627 844 HG1 THR 107 HG1 THR 107 13.319 -7.091 -11.516 845 HG21 THR 107 HG21 THR 107 13.941 -5.747 -14.689 846 HG22 THR 107 HG22 THR 107 13.886 -7.507 -14.595 847 HG23 THR 107 HG23 THR 107 15.427 -6.684 -14.847 848 H LYS 108 H LYS 108 16.248 -8.450 -14.592 849 HA LYS 108 HA LYS 108 18.190 -8.893 -15.617 850 HB2 LYS 108 HB2 LYS 108 18.321 -6.394 -15.409 851 HB3 LYS 108 HB3 LYS 108 19.348 -6.626 -13.999 852 HG2 LYS 108 HG2 LYS 108 20.657 -6.197 -16.021 853 HG3 LYS 108 HG3 LYS 108 20.989 -7.799 -15.357 854 HD2 LYS 108 HD2 LYS 108 18.834 -8.090 -17.148 855 HD3 LYS 108 HD3 LYS 108 20.028 -7.078 -17.959 856 HE2 LYS 108 HE2 LYS 108 20.716 -9.676 -16.611 857 HE3 LYS 108 HE3 LYS 108 20.244 -9.567 -18.303 858 HZ1 LYS 108 HZ1 LYS 108 22.647 -9.580 -18.039 859 HZ2 LYS 108 HZ2 LYS 108 22.577 -8.193 -17.071 860 HZ3 LYS 108 HZ3 LYS 108 22.129 -8.109 -18.702 861 H ALA 109 H ALA 109 18.229 -10.896 -14.430 862 HA ALA 109 HA ALA 109 20.636 -11.064 -12.734 863 HB1 ALA 109 HB1 ALA 109 18.648 -11.984 -11.649 864 HB2 ALA 109 HB2 ALA 109 19.793 -13.271 -12.030 865 HB3 ALA 109 HB3 ALA 109 18.362 -13.037 -13.034 866 H ARG 110 H ARG 110 18.840 -13.052 -15.046 867 HA ARG 110 HA ARG 110 19.491 -14.452 -16.711 868 HB2 ARG 110 HB2 ARG 110 19.643 -12.021 -17.554 869 HB3 ARG 110 HB3 ARG 110 21.382 -12.257 -17.499 870 HG2 ARG 110 HG2 ARG 110 19.656 -14.194 -18.978 871 HG3 ARG 110 HG3 ARG 110 20.094 -12.651 -19.705 872 HD2 ARG 110 HD2 ARG 110 22.492 -13.232 -19.220 873 HD3 ARG 110 HD3 ARG 110 21.933 -14.846 -18.782 874 HE ARG 110 HE ARG 110 20.925 -14.764 -21.168 875 HH11 ARG 110 HH11 ARG 110 24.008 -13.454 -20.151 876 HH12 ARG 110 HH12 ARG 110 24.731 -13.575 -21.726 877 HH21 ARG 110 HH21 ARG 110 21.867 -14.927 -23.247 878 HH22 ARG 110 HH22 ARG 110 23.510 -14.400 -23.491 879 H HIS 111 H HIS 111 20.490 -15.855 -15.155 880 HA HIS 111 HA HIS 111 23.108 -16.619 -15.992 881 HB2 HIS 111 HB2 HIS 111 23.583 -14.795 -14.289 882 HB3 HIS 111 HB3 HIS 111 22.834 -15.833 -13.081 883 HD1 HIS 111 HD1 HIS 111 25.963 -15.249 -14.918 884 HD2 HIS 111 HD2 HIS 111 24.329 -18.224 -12.508 885 HE1 HIS 111 HE1 HIS 111 27.894 -16.715 -14.244 886 HE2 HIS 111 HE2 HIS 111 26.861 -18.605 -12.928 887 H TYR 112 H TYR 112 22.086 -18.519 -16.494 888 HA TYR 112 HA TYR 112 21.511 -20.350 -14.355 889 HB2 TYR 112 HB2 TYR 112 19.423 -18.945 -14.518 890 HB3 TYR 112 HB3 TYR 112 19.231 -19.516 -16.169 891 HD1 TYR 112 HD2 TYR 112 18.557 -21.832 -16.613 892 HD2 TYR 112 HD1 TYR 112 18.955 -20.374 -12.634 893 HE1 TYR 112 HE2 TYR 112 17.282 -23.764 -15.782 894 HE2 TYR 112 HE1 TYR 112 17.684 -22.305 -11.796 895 HH TYR 112 HH TYR 112 17.133 -25.045 -13.554 896 HA PRO 113 HA PRO 113 22.793 -22.856 -17.856 897 HB2 PRO 113 HB2 PRO 113 22.538 -25.152 -16.108 898 HB3 PRO 113 HB3 PRO 113 24.000 -24.434 -16.787 899 HG2 PRO 113 HG2 PRO 113 23.325 -24.352 -14.144 900 HG3 PRO 113 HG3 PRO 113 24.393 -23.184 -14.930 901 HD2 PRO 113 HD2 PRO 113 21.532 -22.926 -14.134 902 HD3 PRO 113 HD3 PRO 113 22.815 -21.698 -14.158 903 H LEU 114 H LEU 114 21.071 -22.844 -19.157 904 HA LEU 114 HA LEU 114 18.618 -24.214 -18.323 905 HB2 LEU 114 HB2 LEU 114 17.471 -22.979 -20.025 906 HB3 LEU 114 HB3 LEU 114 18.449 -21.870 -19.088 907 HG LEU 114 HG LEU 114 19.334 -22.944 -21.767 908 HD11 LEU 114 HD11 LEU 114 18.543 -20.851 -22.726 909 HD12 LEU 114 HD12 LEU 114 17.873 -20.377 -21.166 910 HD13 LEU 114 HD13 LEU 114 17.208 -21.765 -22.027 911 HD21 LEU 114 HD21 LEU 114 21.108 -22.010 -20.362 912 HD22 LEU 114 HD22 LEU 114 20.177 -20.525 -20.168 913 HD23 LEU 114 HD23 LEU 114 20.792 -20.979 -21.758 914 H GLU 115 H GLU 115 21.324 -25.108 -19.793 915 HA GLU 115 HA GLU 115 19.999 -26.612 -21.926 916 HB2 GLU 115 HB2 GLU 115 22.496 -27.132 -22.516 917 HB3 GLU 115 HB3 GLU 115 21.773 -25.593 -22.950 918 HG2 GLU 115 HG2 GLU 115 23.983 -25.235 -22.094 919 HG3 GLU 115 HG3 GLU 115 22.803 -24.573 -20.967 920 H HIS 116 H HIS 116 20.351 -28.841 -22.207 921 HA HIS 116 HA HIS 116 21.671 -30.314 -20.064 922 HB2 HIS 116 HB2 HIS 116 18.739 -30.561 -20.715 923 HB3 HIS 116 HB3 HIS 116 19.639 -31.896 -20.008 924 HD1 HIS 116 HD1 HIS 116 17.501 -29.290 -19.020 925 HD2 HIS 116 HD2 HIS 116 21.063 -30.818 -17.513 926 HE1 HIS 116 HE1 HIS 116 17.585 -28.575 -16.608 927 HE2 HIS 116 HE2 HIS 116 19.838 -29.345 -15.777 928 H HIS 117 H HIS 117 21.644 -32.715 -20.602 929 HA HIS 117 HA HIS 117 21.578 -33.205 -23.485 930 HB2 HIS 117 HB2 HIS 117 23.748 -34.303 -23.460 931 HB3 HIS 117 HB3 HIS 117 23.921 -32.653 -22.880 932 HD1 HIS 117 HD1 HIS 117 25.476 -35.605 -22.258 933 HD2 HIS 117 HD2 HIS 117 23.454 -33.005 -19.712 934 HE1 HIS 117 HE1 HIS 117 26.312 -36.124 -19.946 935 HE2 HIS 117 HE2 HIS 117 25.251 -34.388 -18.463 936 H HIS 118 H HIS 118 21.186 -35.375 -24.056 937 HA HIS 118 HA HIS 118 19.917 -36.874 -21.878 938 HB2 HIS 118 HB2 HIS 118 19.658 -37.033 -24.879 939 HB3 HIS 118 HB3 HIS 118 18.955 -38.236 -23.804 940 HD1 HIS 118 HD1 HIS 118 16.544 -37.819 -23.498 941 HD2 HIS 118 HD2 HIS 118 18.692 -34.270 -23.860 942 HE1 HIS 118 HE1 HIS 118 14.845 -35.971 -23.322 943 HE2 HIS 118 HE2 HIS 118 16.140 -33.853 -23.762 944 H HIS 119 H HIS 119 20.859 -38.550 -20.998 945 HA HIS 119 HA HIS 119 22.586 -40.259 -22.661 946 HB2 HIS 119 HB2 HIS 119 23.963 -38.786 -21.133 947 HB3 HIS 119 HB3 HIS 119 23.182 -39.574 -19.769 948 HD1 HIS 119 HD1 HIS 119 26.083 -39.849 -19.715 949 HD2 HIS 119 HD2 HIS 119 23.739 -42.464 -21.942 950 HE1 HIS 119 HE1 HIS 119 27.487 -41.912 -20.040 951 HE2 HIS 119 HE2 HIS 119 26.060 -43.484 -21.405 952 H HIS 120 H HIS 120 21.292 -41.980 -22.881 953 HA HIS 120 HA HIS 120 19.591 -42.768 -20.627 954 HB2 HIS 120 HB2 HIS 120 18.636 -42.307 -22.932 955 HB3 HIS 120 HB3 HIS 120 19.446 -43.772 -23.471 956 HD1 HIS 120 HD1 HIS 120 18.280 -45.971 -23.012 957 HD2 HIS 120 HD2 HIS 120 16.534 -42.761 -21.030 958 HE1 HIS 120 HE1 HIS 120 16.135 -46.858 -22.037 959 HE2 HIS 120 HE2 HIS 120 15.006 -44.840 -21.032 960 H HIS 121 H HIS 121 20.433 -44.259 -19.335 961 HA HIS 121 HA HIS 121 21.981 -46.433 -20.579 962 HB2 HIS 121 HB2 HIS 121 23.123 -46.732 -18.402 963 HB3 HIS 121 HB3 HIS 121 23.422 -45.158 -19.119 964 HD1 HIS 121 HD1 HIS 121 21.948 -46.819 -16.149 965 HD2 HIS 121 HD2 HIS 121 22.260 -42.978 -17.712 966 HE1 HIS 121 HE1 HIS 121 21.359 -45.265 -14.258 967 HE2 HIS 121 HE2 HIS 121 21.720 -42.949 -15.181 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -18.794 8.635 8.396 2 H2 MET 1 H2 MET 1 -19.612 7.153 8.487 3 H3 MET 1 H3 MET 1 -20.172 8.365 7.443 4 HA MET 1 HA MET 1 -18.083 8.221 6.189 5 HB2 MET 1 HB2 MET 1 -16.771 7.226 8.065 6 HB3 MET 1 HB3 MET 1 -17.665 5.726 7.854 7 HG2 MET 1 HG2 MET 1 -16.777 5.514 5.588 8 HG3 MET 1 HG3 MET 1 -15.887 7.021 5.798 9 HE1 MET 1 HE1 MET 1 -13.566 5.950 5.176 10 HE2 MET 1 HE2 MET 1 -14.426 4.453 4.816 11 HE3 MET 1 HE3 MET 1 -12.991 4.421 5.841 12 H GLU 2 H GLU 2 -18.711 7.564 4.252 13 HA GLU 2 HA GLU 2 -20.857 5.595 4.088 14 HB2 GLU 2 HB2 GLU 2 -19.699 7.492 2.045 15 HB3 GLU 2 HB3 GLU 2 -20.980 6.341 1.692 16 HG2 GLU 2 HG2 GLU 2 -22.388 7.419 3.394 17 HG3 GLU 2 HG3 GLU 2 -21.111 8.601 3.678 18 H ASN 3 H ASN 3 -20.304 3.556 3.896 19 HA ASN 3 HA ASN 3 -17.856 2.869 2.437 20 HB2 ASN 3 HB2 ASN 3 -19.556 1.300 4.382 21 HB3 ASN 3 HB3 ASN 3 -18.253 0.572 3.450 22 HD21 ASN 3 HD21 ASN 3 -16.543 2.921 3.593 23 HD22 ASN 3 HD22 ASN 3 -15.942 2.982 5.211 24 H SER 4 H SER 4 -20.579 3.619 1.339 25 HA SER 4 HA SER 4 -21.728 1.386 0.074 26 HB2 SER 4 HB2 SER 4 -22.827 3.600 0.235 27 HB3 SER 4 HB3 SER 4 -21.630 4.268 -0.869 28 HG SER 4 HG SER 4 -23.366 3.760 -2.104 29 H GLY 5 H GLY 5 -19.919 3.918 -1.657 30 HA2 GLY 5 HA2 GLY 5 -18.781 1.941 -3.450 31 HA3 GLY 5 HA3 GLY 5 -18.531 3.685 -3.511 32 H ALA 6 H ALA 6 -17.775 4.115 -0.885 33 HA ALA 6 HA ALA 6 -16.069 4.086 0.588 34 HB1 ALA 6 HB1 ALA 6 -15.578 1.280 -0.393 35 HB2 ALA 6 HB2 ALA 6 -16.657 1.745 0.924 36 HB3 ALA 6 HB3 ALA 6 -14.918 2.001 1.075 37 H TYR 7 H TYR 7 -14.892 5.684 -0.338 38 HA TYR 7 HA TYR 7 -12.924 5.129 -2.372 39 HB2 TYR 7 HB2 TYR 7 -12.297 7.550 -1.979 40 HB3 TYR 7 HB3 TYR 7 -13.958 7.280 -2.486 41 HD1 TYR 7 HD2 TYR 7 -15.794 7.433 -0.773 42 HD2 TYR 7 HD1 TYR 7 -11.799 8.619 0.075 43 HE1 TYR 7 HE2 TYR 7 -16.594 8.724 1.159 44 HE2 TYR 7 HE1 TYR 7 -12.588 9.912 2.011 45 HH TYR 7 HH TYR 7 -14.631 10.974 2.809 46 H THR 8 H THR 8 -12.512 3.478 -0.256 47 HA THR 8 HA THR 8 -10.302 4.639 1.284 48 HB THR 8 HB THR 8 -11.707 2.012 1.791 49 HG1 THR 8 HG1 THR 8 -12.357 4.665 2.581 50 HG21 THR 8 HG21 THR 8 -10.059 3.797 3.591 51 HG22 THR 8 HG22 THR 8 -9.522 2.279 2.875 52 HG23 THR 8 HG23 THR 8 -10.827 2.281 4.060 53 H PHE 9 H PHE 9 -8.267 3.719 1.231 54 HA PHE 9 HA PHE 9 -7.411 2.408 -1.079 55 HB2 PHE 9 HB2 PHE 9 -5.968 3.729 0.475 56 HB3 PHE 9 HB3 PHE 9 -6.052 2.405 1.627 57 HD1 PHE 9 HD2 PHE 9 -4.851 0.319 1.215 58 HD2 PHE 9 HD1 PHE 9 -4.626 3.579 -1.512 59 HE1 PHE 9 HE2 PHE 9 -2.887 -0.711 0.151 60 HE2 PHE 9 HE1 PHE 9 -2.659 2.556 -2.580 61 HZ PHE 9 HZ PHE 9 -1.785 0.412 -1.749 62 H GLU 10 H GLU 10 -8.415 1.154 2.042 63 HA GLU 10 HA GLU 10 -7.452 -1.477 1.717 64 HB2 GLU 10 HB2 GLU 10 -8.044 -0.512 3.905 65 HB3 GLU 10 HB3 GLU 10 -9.737 -0.496 3.433 66 HG2 GLU 10 HG2 GLU 10 -9.555 -2.991 3.136 67 HG3 GLU 10 HG3 GLU 10 -7.977 -2.880 3.917 68 H THR 11 H THR 11 -10.642 -0.031 1.060 69 HA THR 11 HA THR 11 -11.985 -2.462 0.667 70 HB THR 11 HB THR 11 -13.628 -0.957 -0.653 71 HG1 THR 11 HG1 THR 11 -13.057 1.070 -0.892 72 HG21 THR 11 HG21 THR 11 -13.982 -1.671 1.657 73 HG22 THR 11 HG22 THR 11 -14.472 0.009 1.443 74 HG23 THR 11 HG23 THR 11 -12.939 -0.368 2.230 75 H ILE 12 H ILE 12 -10.348 -0.335 -1.642 76 HA ILE 12 HA ILE 12 -11.080 -1.916 -3.912 77 HB ILE 12 HB ILE 12 -8.893 0.154 -3.604 78 HG12 ILE 12 HG12 ILE 12 -11.683 0.312 -4.778 79 HG13 ILE 12 HG13 ILE 12 -11.148 1.054 -3.275 80 HG21 ILE 12 HG21 ILE 12 -8.839 0.226 -6.051 81 HG22 ILE 12 HG22 ILE 12 -10.006 -1.095 -6.116 82 HG23 ILE 12 HG23 ILE 12 -8.399 -1.373 -5.446 83 HD11 ILE 12 HD11 ILE 12 -11.311 2.678 -5.086 84 HD12 ILE 12 HD12 ILE 12 -10.144 1.753 -6.026 85 HD13 ILE 12 HD13 ILE 12 -9.651 2.516 -4.514 86 H ALA 13 H ALA 13 -8.331 -1.802 -1.723 87 HA ALA 13 HA ALA 13 -6.661 -3.583 -3.145 88 HB1 ALA 13 HB1 ALA 13 -5.441 -3.824 -1.037 89 HB2 ALA 13 HB2 ALA 13 -6.753 -3.010 -0.185 90 HB3 ALA 13 HB3 ALA 13 -5.803 -2.136 -1.387 91 H ARG 14 H ARG 14 -9.296 -4.054 -0.896 92 HA ARG 14 HA ARG 14 -8.966 -6.725 -0.205 93 HB2 ARG 14 HB2 ARG 14 -11.520 -5.215 -0.764 94 HB3 ARG 14 HB3 ARG 14 -11.469 -6.820 -0.062 95 HG2 ARG 14 HG2 ARG 14 -10.251 -5.921 1.866 96 HG3 ARG 14 HG3 ARG 14 -10.365 -4.303 1.160 97 HD2 ARG 14 HD2 ARG 14 -12.805 -4.477 1.166 98 HD3 ARG 14 HD3 ARG 14 -12.692 -6.082 1.879 99 HE ARG 14 HE ARG 14 -11.479 -3.899 3.374 100 HH11 ARG 14 HH11 ARG 14 -14.185 -6.079 2.950 101 HH12 ARG 14 HH12 ARG 14 -14.863 -5.749 4.516 102 HH21 ARG 14 HH21 ARG 14 -12.366 -3.438 5.416 103 HH22 ARG 14 HH22 ARG 14 -13.834 -4.226 5.916 104 H GLU 15 H GLU 15 -10.397 -5.322 -3.105 105 HA GLU 15 HA GLU 15 -11.954 -7.474 -3.877 106 HB2 GLU 15 HB2 GLU 15 -11.541 -4.958 -4.786 107 HB3 GLU 15 HB3 GLU 15 -10.751 -5.883 -6.055 108 HG2 GLU 15 HG2 GLU 15 -13.562 -6.338 -5.124 109 HG3 GLU 15 HG3 GLU 15 -13.122 -5.336 -6.502 110 H TRP 16 H TRP 16 -8.793 -6.602 -5.257 111 HA TRP 16 HA TRP 16 -8.622 -9.080 -6.673 112 HB2 TRP 16 HB2 TRP 16 -6.306 -8.312 -7.241 113 HB3 TRP 16 HB3 TRP 16 -7.574 -7.165 -7.657 114 HD1 TRP 16 HD1 TRP 16 -7.603 -4.844 -6.367 115 HE1 TRP 16 HE1 TRP 16 -5.874 -3.663 -4.871 116 HE3 TRP 16 HE3 TRP 16 -4.458 -8.778 -5.512 117 HZ2 TRP 16 HZ2 TRP 16 -3.487 -4.328 -3.494 118 HZ3 TRP 16 HZ3 TRP 16 -2.485 -8.428 -4.090 119 HH2 TRP 16 HH2 TRP 16 -2.018 -6.255 -3.104 120 H HIS 17 H HIS 17 -7.373 -7.899 -3.596 121 HA HIS 17 HA HIS 17 -5.466 -9.989 -3.273 122 HB2 HIS 17 HB2 HIS 17 -5.335 -7.771 -2.137 123 HB3 HIS 17 HB3 HIS 17 -6.679 -8.264 -1.111 124 HD1 HIS 17 HD1 HIS 17 -5.772 -8.820 1.119 125 HD2 HIS 17 HD2 HIS 17 -3.266 -10.119 -1.927 126 HE1 HIS 17 HE1 HIS 17 -3.881 -10.010 2.267 127 HE2 HIS 17 HE2 HIS 17 -2.486 -10.961 0.394 128 H GLU 18 H GLU 18 -8.876 -9.724 -2.525 129 HA GLU 18 HA GLU 18 -8.974 -11.825 -0.622 130 HB2 GLU 18 HB2 GLU 18 -11.084 -10.575 -2.363 131 HB3 GLU 18 HB3 GLU 18 -11.444 -11.907 -1.273 132 HG2 GLU 18 HG2 GLU 18 -10.575 -10.519 0.600 133 HG3 GLU 18 HG3 GLU 18 -10.421 -9.178 -0.536 134 H SER 19 H SER 19 -8.159 -12.026 -3.813 135 HA SER 19 HA SER 19 -9.289 -14.525 -4.524 136 HB2 SER 19 HB2 SER 19 -6.567 -13.460 -5.331 137 HB3 SER 19 HB3 SER 19 -7.566 -14.620 -6.213 138 HG SER 19 HG SER 19 -7.665 -11.886 -6.178 139 H ASN 20 H ASN 20 -6.791 -13.521 -2.392 140 HA ASN 20 HA ASN 20 -6.205 -16.327 -1.721 141 HB2 ASN 20 HB2 ASN 20 -4.243 -15.046 -2.633 142 HB3 ASN 20 HB3 ASN 20 -4.398 -13.934 -1.280 143 HD21 ASN 20 HD21 ASN 20 -3.676 -14.536 0.722 144 HD22 ASN 20 HD22 ASN 20 -2.766 -15.982 1.009 145 H LYS 21 H LYS 21 -7.827 -16.542 -0.212 146 HA LYS 21 HA LYS 21 -7.557 -15.140 2.300 147 HB2 LYS 21 HB2 LYS 21 -9.651 -14.454 0.330 148 HB3 LYS 21 HB3 LYS 21 -10.225 -14.726 1.968 149 HG2 LYS 21 HG2 LYS 21 -8.002 -12.816 1.304 150 HG3 LYS 21 HG3 LYS 21 -9.704 -12.346 1.371 151 HD2 LYS 21 HD2 LYS 21 -9.686 -13.375 3.726 152 HD3 LYS 21 HD3 LYS 21 -7.927 -13.312 3.592 153 HE2 LYS 21 HE2 LYS 21 -7.979 -10.926 3.300 154 HE3 LYS 21 HE3 LYS 21 -9.742 -10.934 3.217 155 HZ1 LYS 21 HZ1 LYS 21 -8.019 -11.456 5.569 156 HZ2 LYS 21 HZ2 LYS 21 -9.658 -11.889 5.537 157 HZ3 LYS 21 HZ3 LYS 21 -9.212 -10.262 5.390 158 H ARG 22 H ARG 22 -8.455 -16.242 3.994 159 HA ARG 22 HA ARG 22 -10.576 -18.128 3.643 160 HB2 ARG 22 HB2 ARG 22 -8.647 -19.507 2.935 161 HB3 ARG 22 HB3 ARG 22 -7.865 -19.187 4.475 162 HG2 ARG 22 HG2 ARG 22 -8.869 -21.386 4.470 163 HG3 ARG 22 HG3 ARG 22 -9.684 -20.344 5.636 164 HD2 ARG 22 HD2 ARG 22 -11.312 -21.645 4.417 165 HD3 ARG 22 HD3 ARG 22 -11.471 -19.941 3.995 166 HE ARG 22 HE ARG 22 -9.900 -20.790 2.026 167 HH11 ARG 22 HH11 ARG 22 -12.736 -22.308 3.411 168 HH12 ARG 22 HH12 ARG 22 -13.243 -23.030 1.913 169 HH21 ARG 22 HH21 ARG 22 -10.570 -21.743 0.040 170 HH22 ARG 22 HH22 ARG 22 -12.002 -22.723 0.014 171 H TRP 23 H TRP 23 -11.453 -16.594 5.098 172 HA TRP 23 HA TRP 23 -11.984 -15.674 7.112 173 HB2 TRP 23 HB2 TRP 23 -11.325 -18.434 8.148 174 HB3 TRP 23 HB3 TRP 23 -12.515 -17.300 8.787 175 HD1 TRP 23 HD1 TRP 23 -12.694 -20.385 7.188 176 HE1 TRP 23 HE1 TRP 23 -14.663 -20.613 5.537 177 HE3 TRP 23 HE3 TRP 23 -13.801 -15.432 6.571 178 HZ2 TRP 23 HZ2 TRP 23 -16.427 -18.901 4.155 179 HZ3 TRP 23 HZ3 TRP 23 -15.636 -14.811 5.062 180 HH2 TRP 23 HH2 TRP 23 -16.916 -16.513 3.879 181 H SER 24 H SER 24 -9.673 -14.621 6.742 182 HA SER 24 HA SER 24 -8.035 -15.184 9.120 183 HB2 SER 24 HB2 SER 24 -6.246 -13.969 7.674 184 HB3 SER 24 HB3 SER 24 -6.659 -15.642 7.298 185 HG SER 24 HG SER 24 -7.076 -14.911 5.385 186 H GLU 25 H GLU 25 -10.390 -13.336 8.680 187 HA GLU 25 HA GLU 25 -9.409 -10.680 8.471 188 HB2 GLU 25 HB2 GLU 25 -11.864 -11.849 8.234 189 HB3 GLU 25 HB3 GLU 25 -12.012 -11.041 9.789 190 HG2 GLU 25 HG2 GLU 25 -12.806 -9.602 8.032 191 HG3 GLU 25 HG3 GLU 25 -11.338 -8.927 8.739 192 H ASP 26 H ASP 26 -10.240 -12.755 11.207 193 HA ASP 26 HA ASP 26 -10.518 -10.773 13.150 194 HB2 ASP 26 HB2 ASP 26 -11.195 -13.119 13.484 195 HB3 ASP 26 HB3 ASP 26 -9.498 -13.588 13.557 196 H HIS 27 H HIS 27 -7.587 -12.646 12.327 197 HA HIS 27 HA HIS 27 -6.056 -11.202 14.257 198 HB2 HIS 27 HB2 HIS 27 -4.124 -12.418 13.504 199 HB3 HIS 27 HB3 HIS 27 -5.480 -13.520 13.656 200 HD1 HIS 27 HD1 HIS 27 -6.113 -14.860 11.638 201 HD2 HIS 27 HD2 HIS 27 -3.349 -11.874 10.779 202 HE1 HIS 27 HE1 HIS 27 -5.274 -15.359 9.321 203 HE2 HIS 27 HE2 HIS 27 -3.469 -13.647 8.894 204 H ARG 28 H ARG 28 -6.815 -10.677 10.907 205 HA ARG 28 HA ARG 28 -4.561 -8.989 10.408 206 HB2 ARG 28 HB2 ARG 28 -5.381 -8.670 8.271 207 HB3 ARG 28 HB3 ARG 28 -6.033 -10.244 8.682 208 HG2 ARG 28 HG2 ARG 28 -7.886 -9.317 7.775 209 HG3 ARG 28 HG3 ARG 28 -8.106 -8.773 9.438 210 HD2 ARG 28 HD2 ARG 28 -7.206 -6.615 8.917 211 HD3 ARG 28 HD3 ARG 28 -6.733 -7.144 7.304 212 HE ARG 28 HE ARG 28 -9.461 -7.534 7.452 213 HH11 ARG 28 HH11 ARG 28 -7.252 -4.826 7.716 214 HH12 ARG 28 HH12 ARG 28 -8.393 -3.657 7.117 215 HH21 ARG 28 HH21 ARG 28 -10.984 -5.985 6.686 216 HH22 ARG 28 HH22 ARG 28 -10.505 -4.319 6.544 217 H SER 29 H SER 29 -7.696 -8.535 11.815 218 HA SER 29 HA SER 29 -7.762 -5.700 11.666 219 HB2 SER 29 HB2 SER 29 -9.036 -7.541 13.704 220 HB3 SER 29 HB3 SER 29 -9.475 -5.858 13.412 221 HG SER 29 HG SER 29 -9.959 -6.545 11.208 222 H ARG 30 H ARG 30 -6.170 -7.979 13.743 223 HA ARG 30 HA ARG 30 -5.512 -6.052 15.794 224 HB2 ARG 30 HB2 ARG 30 -4.264 -8.766 15.385 225 HB3 ARG 30 HB3 ARG 30 -4.367 -7.843 16.875 226 HG2 ARG 30 HG2 ARG 30 -6.778 -8.196 16.942 227 HG3 ARG 30 HG3 ARG 30 -6.695 -9.089 15.420 228 HD2 ARG 30 HD2 ARG 30 -5.100 -10.661 16.553 229 HD3 ARG 30 HD3 ARG 30 -5.476 -9.843 18.068 230 HE ARG 30 HE ARG 30 -7.596 -11.107 16.458 231 HH11 ARG 30 HH11 ARG 30 -5.873 -10.710 19.470 232 HH12 ARG 30 HH12 ARG 30 -6.902 -11.790 20.362 233 HH21 ARG 30 HH21 ARG 30 -8.956 -12.532 17.588 234 HH22 ARG 30 HH22 ARG 30 -8.672 -12.839 19.284 235 H VAL 31 H VAL 31 -3.802 -7.838 13.265 236 HA VAL 31 HA VAL 31 -1.276 -6.642 13.714 237 HB VAL 31 HB VAL 31 -1.705 -8.836 12.531 238 HG11 VAL 31 HG11 VAL 31 -2.059 -8.780 10.119 239 HG12 VAL 31 HG12 VAL 31 -2.278 -7.031 10.191 240 HG13 VAL 31 HG13 VAL 31 -3.431 -8.099 10.993 241 HG21 VAL 31 HG21 VAL 31 0.113 -6.847 11.176 242 HG22 VAL 31 HG22 VAL 31 0.220 -8.600 11.030 243 HG23 VAL 31 HG23 VAL 31 0.505 -7.826 12.590 244 H LEU 32 H LEU 32 -4.086 -5.441 12.308 245 HA LEU 32 HA LEU 32 -3.308 -3.897 10.172 246 HB2 LEU 32 HB2 LEU 32 -5.631 -4.191 11.002 247 HB3 LEU 32 HB3 LEU 32 -5.271 -3.088 12.315 248 HG LEU 32 HG LEU 32 -4.875 -1.282 10.678 249 HD11 LEU 32 HD11 LEU 32 -5.789 -3.316 8.647 250 HD12 LEU 32 HD12 LEU 32 -4.163 -2.646 8.787 251 HD13 LEU 32 HD13 LEU 32 -5.509 -1.599 8.342 252 HD21 LEU 32 HD21 LEU 32 -7.541 -2.666 10.397 253 HD22 LEU 32 HD22 LEU 32 -7.211 -0.973 10.025 254 HD23 LEU 32 HD23 LEU 32 -7.077 -1.553 11.685 255 H ARG 33 H ARG 33 -2.794 -3.272 13.595 256 HA ARG 33 HA ARG 33 -1.971 -0.611 13.518 257 HB2 ARG 33 HB2 ARG 33 -1.001 -2.907 15.224 258 HB3 ARG 33 HB3 ARG 33 -0.506 -1.242 15.480 259 HG2 ARG 33 HG2 ARG 33 -2.821 -0.606 15.899 260 HG3 ARG 33 HG3 ARG 33 -3.331 -2.276 15.626 261 HD2 ARG 33 HD2 ARG 33 -2.079 -3.030 17.527 262 HD3 ARG 33 HD3 ARG 33 -1.335 -1.447 17.729 263 HE ARG 33 HE ARG 33 -4.012 -0.963 17.956 264 HH11 ARG 33 HH11 ARG 33 -1.754 -3.118 19.563 265 HH12 ARG 33 HH12 ARG 33 -2.628 -3.104 21.070 266 HH21 ARG 33 HH21 ARG 33 -5.126 -0.912 19.938 267 HH22 ARG 33 HH22 ARG 33 -4.525 -1.818 21.295 268 H TYR 34 H TYR 34 -0.143 -3.563 12.915 269 HA TYR 34 HA TYR 34 2.371 -2.318 12.471 270 HB2 TYR 34 HB2 TYR 34 2.160 -4.679 13.087 271 HB3 TYR 34 HB3 TYR 34 1.283 -5.010 11.600 272 HD1 TYR 34 HD2 TYR 34 4.569 -4.219 13.042 273 HD2 TYR 34 HD1 TYR 34 2.450 -5.321 9.523 274 HE1 TYR 34 HE2 TYR 34 6.696 -4.777 11.941 275 HE2 TYR 34 HE1 TYR 34 4.569 -5.884 8.415 276 HH TYR 34 HH TYR 34 7.522 -6.144 10.127 277 H LEU 35 H LEU 35 -0.291 -3.326 10.415 278 HA LEU 35 HA LEU 35 0.915 -2.909 7.914 279 HB2 LEU 35 HB2 LEU 35 -1.294 -4.093 8.550 280 HB3 LEU 35 HB3 LEU 35 -2.016 -2.501 8.476 281 HG LEU 35 HG LEU 35 -2.345 -3.891 6.430 282 HD11 LEU 35 HD11 LEU 35 -0.799 -1.340 6.027 283 HD12 LEU 35 HD12 LEU 35 -2.537 -1.479 6.293 284 HD13 LEU 35 HD13 LEU 35 -1.816 -2.133 4.824 285 HD21 LEU 35 HD21 LEU 35 -0.194 -5.018 6.406 286 HD22 LEU 35 HD22 LEU 35 0.621 -3.485 6.089 287 HD23 LEU 35 HD23 LEU 35 -0.472 -4.168 4.886 288 H GLU 36 H GLU 36 -1.187 -0.786 9.855 289 HA GLU 36 HA GLU 36 -1.241 1.390 8.095 290 HB2 GLU 36 HB2 GLU 36 -1.431 1.415 11.115 291 HB3 GLU 36 HB3 GLU 36 -1.919 2.727 10.053 292 HG2 GLU 36 HG2 GLU 36 -3.644 1.318 9.078 293 HG3 GLU 36 HG3 GLU 36 -3.130 -0.028 10.093 294 H LEU 37 H LEU 37 1.039 0.574 10.659 295 HA LEU 37 HA LEU 37 2.287 3.122 10.717 296 HB2 LEU 37 HB2 LEU 37 2.272 1.603 12.634 297 HB3 LEU 37 HB3 LEU 37 3.257 0.459 11.745 298 HG LEU 37 HG LEU 37 5.101 2.098 11.696 299 HD11 LEU 37 HD11 LEU 37 4.983 4.099 13.085 300 HD12 LEU 37 HD12 LEU 37 3.296 3.752 13.460 301 HD13 LEU 37 HD13 LEU 37 3.770 4.146 11.807 302 HD21 LEU 37 HD21 LEU 37 5.678 1.948 14.069 303 HD22 LEU 37 HD22 LEU 37 5.005 0.433 13.467 304 HD23 LEU 37 HD23 LEU 37 4.010 1.514 14.445 305 H TYR 38 H TYR 38 2.992 0.129 8.982 306 HA TYR 38 HA TYR 38 5.547 1.249 8.112 307 HB2 TYR 38 HB2 TYR 38 4.389 -1.521 8.047 308 HB3 TYR 38 HB3 TYR 38 5.801 -1.100 7.083 309 HD1 TYR 38 HD2 TYR 38 4.519 -1.252 10.565 310 HD2 TYR 38 HD1 TYR 38 7.940 -0.947 8.054 311 HE1 TYR 38 HE2 TYR 38 5.978 -1.586 12.515 312 HE2 TYR 38 HE1 TYR 38 9.406 -1.275 9.999 313 HH TYR 38 HH TYR 38 9.257 -0.919 12.499 314 H ILE 39 H ILE 39 2.384 0.541 6.845 315 HA ILE 39 HA ILE 39 3.347 0.841 4.109 316 HB ILE 39 HB ILE 39 0.558 0.272 5.127 317 HG12 ILE 39 HG12 ILE 39 2.115 -1.572 5.517 318 HG13 ILE 39 HG13 ILE 39 0.971 -1.995 4.248 319 HG21 ILE 39 HG21 ILE 39 1.628 0.309 2.306 320 HG22 ILE 39 HG22 ILE 39 0.453 1.430 2.997 321 HG23 ILE 39 HG23 ILE 39 0.030 -0.269 2.780 322 HD11 ILE 39 HD11 ILE 39 2.672 -1.493 2.561 323 HD12 ILE 39 HD12 ILE 39 3.202 -2.743 3.688 324 HD13 ILE 39 HD13 ILE 39 3.812 -1.096 3.847 325 H PHE 40 H PHE 40 1.577 2.630 6.544 326 HA PHE 40 HA PHE 40 1.472 4.904 4.673 327 HB2 PHE 40 HB2 PHE 40 -0.639 4.266 6.745 328 HB3 PHE 40 HB3 PHE 40 -0.669 5.594 5.595 329 HD1 PHE 40 HD2 PHE 40 -0.789 5.012 3.113 330 HD2 PHE 40 HD1 PHE 40 -1.574 2.211 6.223 331 HE1 PHE 40 HE2 PHE 40 -2.022 3.596 1.524 332 HE2 PHE 40 HE1 PHE 40 -2.808 0.792 4.640 333 HZ PHE 40 HZ PHE 40 -3.037 1.484 2.288 334 HA PRO 41 HA PRO 41 3.424 5.957 8.800 335 HB2 PRO 41 HB2 PRO 41 5.941 6.543 7.551 336 HB3 PRO 41 HB3 PRO 41 5.562 5.239 8.676 337 HG2 PRO 41 HG2 PRO 41 6.217 4.883 6.016 338 HG3 PRO 41 HG3 PRO 41 5.333 3.712 7.008 339 HD2 PRO 41 HD2 PRO 41 4.299 5.668 5.004 340 HD3 PRO 41 HD3 PRO 41 3.747 4.018 5.363 341 H HIS 42 H HIS 42 4.715 7.555 5.873 342 HA HIS 42 HA HIS 42 4.018 10.146 7.078 343 HB2 HIS 42 HB2 HIS 42 6.440 9.408 6.249 344 HB3 HIS 42 HB3 HIS 42 5.811 9.946 4.698 345 HD1 HIS 42 HD1 HIS 42 7.798 11.148 7.282 346 HD2 HIS 42 HD2 HIS 42 4.562 12.762 5.229 347 HE1 HIS 42 HE1 HIS 42 7.982 13.640 7.578 348 HE2 HIS 42 HE2 HIS 42 5.884 14.571 6.531 349 H ILE 43 H ILE 43 2.704 8.005 5.024 350 HA ILE 43 HA ILE 43 1.950 10.010 2.995 351 HB ILE 43 HB ILE 43 1.936 8.142 1.338 352 HG12 ILE 43 HG12 ILE 43 3.385 6.658 3.546 353 HG13 ILE 43 HG13 ILE 43 1.768 6.289 2.961 354 HG21 ILE 43 HG21 ILE 43 4.576 8.741 2.668 355 HG22 ILE 43 HG22 ILE 43 3.779 9.730 1.446 356 HG23 ILE 43 HG23 ILE 43 4.371 8.121 1.030 357 HD11 ILE 43 HD11 ILE 43 3.369 4.740 2.048 358 HD12 ILE 43 HD12 ILE 43 4.325 6.070 1.395 359 HD13 ILE 43 HD13 ILE 43 2.710 5.749 0.760 360 H GLY 44 H GLY 44 0.560 8.674 5.453 361 HA2 GLY 44 HA2 GLY 44 -1.468 6.990 4.331 362 HA3 GLY 44 HA3 GLY 44 -1.429 7.624 5.968 363 H SER 45 H SER 45 -1.108 10.316 4.246 364 HA SER 45 HA SER 45 -3.930 10.926 4.548 365 HB2 SER 45 HB2 SER 45 -3.130 13.290 4.193 366 HB3 SER 45 HB3 SER 45 -2.411 12.471 5.581 367 HG SER 45 HG SER 45 -0.714 13.372 4.536 368 H SER 46 H SER 46 -2.403 9.526 2.137 369 HA SER 46 HA SER 46 -3.189 11.339 -0.011 370 HB2 SER 46 HB2 SER 46 -1.767 8.673 -0.185 371 HB3 SER 46 HB3 SER 46 -1.929 9.867 -1.476 372 HG SER 46 HG SER 46 -0.253 9.834 0.731 373 H ASP 47 H ASP 47 -4.561 10.729 -1.719 374 HA ASP 47 HA ASP 47 -6.649 8.845 -0.982 375 HB2 ASP 47 HB2 ASP 47 -7.165 11.114 -1.922 376 HB3 ASP 47 HB3 ASP 47 -6.445 10.599 -3.444 377 H ILE 48 H ILE 48 -7.464 7.314 -2.675 378 HA ILE 48 HA ILE 48 -5.150 5.822 -3.612 379 HB ILE 48 HB ILE 48 -6.757 4.643 -2.211 380 HG12 ILE 48 HG12 ILE 48 -6.815 3.621 -5.057 381 HG13 ILE 48 HG13 ILE 48 -5.479 3.401 -3.932 382 HG21 ILE 48 HG21 ILE 48 -8.779 5.851 -2.802 383 HG22 ILE 48 HG22 ILE 48 -9.011 4.117 -3.020 384 HG23 ILE 48 HG23 ILE 48 -8.743 5.153 -4.422 385 HD11 ILE 48 HD11 ILE 48 -6.842 1.402 -4.092 386 HD12 ILE 48 HD12 ILE 48 -8.265 2.318 -3.595 387 HD13 ILE 48 HD13 ILE 48 -6.926 2.092 -2.470 388 H ARG 49 H ARG 49 -7.791 7.666 -4.987 389 HA ARG 49 HA ARG 49 -7.535 6.263 -7.534 390 HB2 ARG 49 HB2 ARG 49 -9.408 7.515 -8.320 391 HB3 ARG 49 HB3 ARG 49 -9.781 6.938 -6.705 392 HG2 ARG 49 HG2 ARG 49 -9.189 9.196 -5.836 393 HG3 ARG 49 HG3 ARG 49 -9.017 9.736 -7.510 394 HD2 ARG 49 HD2 ARG 49 -11.339 9.088 -7.947 395 HD3 ARG 49 HD3 ARG 49 -11.507 8.554 -6.277 396 HE ARG 49 HE ARG 49 -11.622 11.259 -7.265 397 HH11 ARG 49 HH11 ARG 49 -10.799 9.322 -4.467 398 HH12 ARG 49 HH12 ARG 49 -11.311 10.516 -3.323 399 HH21 ARG 49 HH21 ARG 49 -12.318 12.835 -5.760 400 HH22 ARG 49 HH22 ARG 49 -12.202 12.507 -4.060 401 H GLN 50 H GLN 50 -5.877 8.630 -6.029 402 HA GLN 50 HA GLN 50 -4.620 9.319 -8.545 403 HB2 GLN 50 HB2 GLN 50 -6.123 11.199 -8.195 404 HB3 GLN 50 HB3 GLN 50 -5.536 11.403 -6.553 405 HG2 GLN 50 HG2 GLN 50 -4.639 13.061 -8.124 406 HG3 GLN 50 HG3 GLN 50 -3.385 12.107 -7.344 407 HE21 GLN 50 HE21 GLN 50 -2.154 10.700 -8.559 408 HE22 GLN 50 HE22 GLN 50 -2.142 10.720 -10.292 409 H LEU 51 H LEU 51 -3.149 7.786 -7.715 410 HA LEU 51 HA LEU 51 -1.735 8.306 -5.274 411 HB2 LEU 51 HB2 LEU 51 -2.154 6.030 -6.252 412 HB3 LEU 51 HB3 LEU 51 -0.994 6.420 -7.508 413 HG LEU 51 HG LEU 51 0.759 6.679 -5.763 414 HD11 LEU 51 HD11 LEU 51 -0.674 7.246 -3.880 415 HD12 LEU 51 HD12 LEU 51 0.310 5.828 -3.512 416 HD13 LEU 51 HD13 LEU 51 -1.393 5.635 -3.927 417 HD21 LEU 51 HD21 LEU 51 -0.671 4.023 -5.756 418 HD22 LEU 51 HD22 LEU 51 1.018 4.297 -5.324 419 HD23 LEU 51 HD23 LEU 51 0.474 4.573 -6.980 420 H LYS 52 H LYS 52 0.510 8.838 -5.144 421 HA LYS 52 HA LYS 52 1.229 10.729 -7.250 422 HB2 LYS 52 HB2 LYS 52 2.061 10.494 -4.364 423 HB3 LYS 52 HB3 LYS 52 2.843 11.599 -5.493 424 HG2 LYS 52 HG2 LYS 52 0.782 12.774 -5.863 425 HG3 LYS 52 HG3 LYS 52 -0.112 11.588 -4.915 426 HD2 LYS 52 HD2 LYS 52 1.061 12.273 -2.904 427 HD3 LYS 52 HD3 LYS 52 2.034 13.413 -3.841 428 HE2 LYS 52 HE2 LYS 52 0.068 14.692 -4.413 429 HE3 LYS 52 HE3 LYS 52 -0.974 13.501 -3.638 430 HZ1 LYS 52 HZ1 LYS 52 1.083 15.067 -2.178 431 HZ2 LYS 52 HZ2 LYS 52 -0.153 14.107 -1.515 432 HZ3 LYS 52 HZ3 LYS 52 -0.534 15.551 -2.320 433 H THR 53 H THR 53 3.724 11.078 -7.326 434 HA THR 53 HA THR 53 4.755 8.761 -8.593 435 HB THR 53 HB THR 53 6.713 10.836 -8.045 436 HG1 THR 53 HG1 THR 53 5.032 12.112 -9.643 437 HG21 THR 53 HG21 THR 53 6.831 10.889 -10.487 438 HG22 THR 53 HG22 THR 53 5.369 9.907 -10.590 439 HG23 THR 53 HG23 THR 53 6.842 9.225 -9.894 440 H SER 54 H SER 54 7.473 8.941 -8.043 441 HA SER 54 HA SER 54 7.691 7.070 -5.962 442 HB2 SER 54 HB2 SER 54 9.940 8.627 -7.237 443 HB3 SER 54 HB3 SER 54 10.020 7.023 -6.507 444 HG SER 54 HG SER 54 9.835 7.216 -8.921 445 H HIS 55 H HIS 55 7.186 10.289 -5.573 446 HA HIS 55 HA HIS 55 8.924 10.965 -3.440 447 HB2 HIS 55 HB2 HIS 55 6.031 11.828 -3.739 448 HB3 HIS 55 HB3 HIS 55 7.285 12.642 -2.814 449 HD1 HIS 55 HD1 HIS 55 9.154 13.899 -4.232 450 HD2 HIS 55 HD2 HIS 55 5.859 12.529 -6.374 451 HE1 HIS 55 HE1 HIS 55 9.207 15.130 -6.429 452 HE2 HIS 55 HE2 HIS 55 7.126 14.386 -7.655 453 H LEU 56 H LEU 56 6.157 8.979 -3.800 454 HA LEU 56 HA LEU 56 5.333 8.670 -1.117 455 HB2 LEU 56 HB2 LEU 56 4.173 8.060 -3.343 456 HB3 LEU 56 HB3 LEU 56 5.109 6.582 -3.273 457 HG LEU 56 HG LEU 56 4.024 6.274 -0.938 458 HD11 LEU 56 HD11 LEU 56 1.807 7.300 -0.741 459 HD12 LEU 56 HD12 LEU 56 2.114 8.239 -2.202 460 HD13 LEU 56 HD13 LEU 56 3.087 8.513 -0.759 461 HD21 LEU 56 HD21 LEU 56 3.573 4.849 -2.856 462 HD22 LEU 56 HD22 LEU 56 2.418 6.025 -3.482 463 HD23 LEU 56 HD23 LEU 56 2.084 5.180 -1.970 464 H LEU 57 H LEU 57 8.094 7.573 -2.776 465 HA LEU 57 HA LEU 57 8.378 5.039 -1.432 466 HB2 LEU 57 HB2 LEU 57 9.159 5.389 -3.727 467 HB3 LEU 57 HB3 LEU 57 10.303 6.590 -3.158 468 HG LEU 57 HG LEU 57 11.419 4.798 -1.818 469 HD11 LEU 57 HD11 LEU 57 9.557 3.258 -1.643 470 HD12 LEU 57 HD12 LEU 57 10.944 2.474 -2.399 471 HD13 LEU 57 HD13 LEU 57 9.583 3.001 -3.389 472 HD21 LEU 57 HD21 LEU 57 11.253 4.356 -4.797 473 HD22 LEU 57 HD22 LEU 57 12.537 3.774 -3.736 474 HD23 LEU 57 HD23 LEU 57 12.305 5.505 -3.970 475 H ALA 58 H ALA 58 9.298 8.284 -0.791 476 HA ALA 58 HA ALA 58 11.744 8.080 0.449 477 HB1 ALA 58 HB1 ALA 58 9.508 9.917 1.285 478 HB2 ALA 58 HB2 ALA 58 10.616 10.199 -0.056 479 HB3 ALA 58 HB3 ALA 58 11.228 10.143 1.598 480 HA PRO 59 HA PRO 59 9.555 7.252 4.770 481 HB2 PRO 59 HB2 PRO 59 7.142 5.835 3.783 482 HB3 PRO 59 HB3 PRO 59 7.330 6.928 5.151 483 HG2 PRO 59 HG2 PRO 59 6.114 7.747 2.939 484 HG3 PRO 59 HG3 PRO 59 7.212 8.831 3.819 485 HD2 PRO 59 HD2 PRO 59 7.694 7.252 1.320 486 HD3 PRO 59 HD3 PRO 59 8.188 8.912 1.717 487 H ILE 60 H ILE 60 8.954 5.027 2.074 488 HA ILE 60 HA ILE 60 9.311 2.652 3.572 489 HB ILE 60 HB ILE 60 9.508 3.168 0.600 490 HG12 ILE 60 HG12 ILE 60 7.383 1.736 0.655 491 HG13 ILE 60 HG13 ILE 60 7.388 1.983 2.395 492 HG21 ILE 60 HG21 ILE 60 9.495 0.755 0.266 493 HG22 ILE 60 HG22 ILE 60 9.583 0.506 2.009 494 HG23 ILE 60 HG23 ILE 60 10.927 1.268 1.159 495 HD11 ILE 60 HD11 ILE 60 7.227 4.395 2.046 496 HD12 ILE 60 HD12 ILE 60 5.886 3.529 1.296 497 HD13 ILE 60 HD13 ILE 60 7.211 4.136 0.302 498 H LYS 61 H LYS 61 11.482 4.890 2.085 499 HA LYS 61 HA LYS 61 13.752 3.160 1.920 500 HB2 LYS 61 HB2 LYS 61 13.668 6.184 2.083 501 HB3 LYS 61 HB3 LYS 61 15.062 5.219 1.614 502 HG2 LYS 61 HG2 LYS 61 12.494 5.637 0.135 503 HG3 LYS 61 HG3 LYS 61 14.144 5.976 -0.392 504 HD2 LYS 61 HD2 LYS 61 13.312 3.183 0.276 505 HD3 LYS 61 HD3 LYS 61 12.906 3.875 -1.281 506 HE2 LYS 61 HE2 LYS 61 14.946 2.653 -1.534 507 HE3 LYS 61 HE3 LYS 61 15.342 4.368 -1.610 508 HZ1 LYS 61 HZ1 LYS 61 16.871 3.025 -0.217 509 HZ2 LYS 61 HZ2 LYS 61 15.590 2.716 0.849 510 HZ3 LYS 61 HZ3 LYS 61 16.145 4.305 0.620 511 H GLU 62 H GLU 62 12.311 5.130 4.302 512 HA GLU 62 HA GLU 62 14.478 5.131 6.158 513 HB2 GLU 62 HB2 GLU 62 12.641 6.789 6.187 514 HB3 GLU 62 HB3 GLU 62 11.520 5.520 6.655 515 HG2 GLU 62 HG2 GLU 62 12.518 5.285 8.775 516 HG3 GLU 62 HG3 GLU 62 13.928 6.235 8.301 517 H VAL 63 H VAL 63 11.876 2.961 5.391 518 HA VAL 63 HA VAL 63 12.108 1.356 7.759 519 HB VAL 63 HB VAL 63 10.763 0.760 5.116 520 HG11 VAL 63 HG11 VAL 63 10.564 -0.677 7.761 521 HG12 VAL 63 HG12 VAL 63 11.292 -1.301 6.281 522 HG13 VAL 63 HG13 VAL 63 9.558 -0.994 6.347 523 HG21 VAL 63 HG21 VAL 63 8.689 1.293 6.314 524 HG22 VAL 63 HG22 VAL 63 9.788 2.672 6.254 525 HG23 VAL 63 HG23 VAL 63 9.637 1.731 7.738 526 H ASP 64 H ASP 64 13.165 1.027 4.368 527 HA ASP 64 HA ASP 64 14.240 -1.560 4.684 528 HB2 ASP 64 HB2 ASP 64 15.088 -1.392 2.512 529 HB3 ASP 64 HB3 ASP 64 13.685 -0.337 2.481 530 H THR 65 H THR 65 15.606 1.621 5.180 531 HA THR 65 HA THR 65 18.315 0.888 5.364 532 HB THR 65 HB THR 65 16.935 3.182 6.780 533 HG1 THR 65 HG1 THR 65 16.547 3.375 4.581 534 HG21 THR 65 HG21 THR 65 19.128 4.264 6.684 535 HG22 THR 65 HG22 THR 65 19.815 2.822 5.940 536 HG23 THR 65 HG23 THR 65 19.213 2.757 7.595 537 H SER 66 H SER 66 15.680 0.441 7.548 538 HA SER 66 HA SER 66 17.262 0.181 9.923 539 HB2 SER 66 HB2 SER 66 14.437 -0.753 9.360 540 HB3 SER 66 HB3 SER 66 15.192 -0.650 10.952 541 HG SER 66 HG SER 66 15.290 1.568 10.755 542 H GLY 67 H GLY 67 16.805 -1.789 7.224 543 HA2 GLY 67 HA2 GLY 67 18.538 -3.676 7.500 544 HA3 GLY 67 HA3 GLY 67 17.449 -4.212 8.769 545 H LYS 68 H LYS 68 14.985 -3.739 7.553 546 HA LYS 68 HA LYS 68 14.939 -6.068 5.843 547 HB2 LYS 68 HB2 LYS 68 12.991 -4.556 7.421 548 HB3 LYS 68 HB3 LYS 68 12.358 -5.177 5.904 549 HG2 LYS 68 HG2 LYS 68 11.896 -6.800 7.532 550 HG3 LYS 68 HG3 LYS 68 13.229 -7.433 6.582 551 HD2 LYS 68 HD2 LYS 68 13.740 -5.943 9.131 552 HD3 LYS 68 HD3 LYS 68 13.302 -7.652 9.158 553 HE2 LYS 68 HE2 LYS 68 15.207 -8.109 7.638 554 HE3 LYS 68 HE3 LYS 68 15.669 -6.413 7.757 555 HZ1 LYS 68 HZ1 LYS 68 16.949 -7.792 9.277 556 HZ2 LYS 68 HZ2 LYS 68 15.524 -8.322 10.026 557 HZ3 LYS 68 HZ3 LYS 68 15.980 -6.692 10.134 558 H HIS 69 H HIS 69 16.076 -5.196 4.109 559 HA HIS 69 HA HIS 69 15.134 -2.955 2.611 560 HB2 HIS 69 HB2 HIS 69 17.524 -3.865 2.747 561 HB3 HIS 69 HB3 HIS 69 17.002 -5.099 1.606 562 HD1 HIS 69 HD1 HIS 69 16.654 -4.371 -0.848 563 HD2 HIS 69 HD2 HIS 69 17.757 -1.276 1.700 564 HE1 HIS 69 HE1 HIS 69 17.265 -2.446 -2.341 565 HE2 HIS 69 HE2 HIS 69 17.776 -0.539 -0.777 566 H ASP 70 H ASP 70 15.019 -6.466 2.133 567 HA ASP 70 HA ASP 70 13.906 -6.338 -0.468 568 HB2 ASP 70 HB2 ASP 70 14.255 -8.552 1.530 569 HB3 ASP 70 HB3 ASP 70 13.416 -8.821 0.005 570 H VAL 71 H VAL 71 12.443 -7.014 2.707 571 HA VAL 71 HA VAL 71 9.893 -7.639 1.742 572 HB VAL 71 HB VAL 71 10.726 -8.023 4.089 573 HG11 VAL 71 HG11 VAL 71 11.572 -5.826 4.596 574 HG12 VAL 71 HG12 VAL 71 10.308 -6.264 5.745 575 HG13 VAL 71 HG13 VAL 71 9.958 -5.136 4.435 576 HG21 VAL 71 HG21 VAL 71 8.423 -8.446 3.492 577 HG22 VAL 71 HG22 VAL 71 8.015 -6.751 3.754 578 HG23 VAL 71 HG23 VAL 71 8.507 -7.760 5.113 579 H ALA 72 H ALA 72 11.408 -4.550 2.414 580 HA ALA 72 HA ALA 72 9.128 -2.915 2.287 581 HB1 ALA 72 HB1 ALA 72 11.958 -2.258 1.470 582 HB2 ALA 72 HB2 ALA 72 11.306 -2.140 3.105 583 HB3 ALA 72 HB3 ALA 72 10.681 -1.093 1.829 584 H GLN 73 H GLN 73 11.344 -4.068 -0.212 585 HA GLN 73 HA GLN 73 10.157 -2.761 -2.400 586 HB2 GLN 73 HB2 GLN 73 11.851 -5.237 -2.135 587 HB3 GLN 73 HB3 GLN 73 11.326 -4.613 -3.685 588 HG2 GLN 73 HG2 GLN 73 12.472 -2.498 -2.152 589 HG3 GLN 73 HG3 GLN 73 13.580 -3.868 -2.190 590 HE21 GLN 73 HE21 GLN 73 11.889 -1.487 -4.110 591 HE22 GLN 73 HE22 GLN 73 12.840 -1.693 -5.539 592 H ARG 74 H ARG 74 9.726 -5.982 -1.029 593 HA ARG 74 HA ARG 74 7.867 -6.967 -2.886 594 HB2 ARG 74 HB2 ARG 74 9.200 -8.124 -0.957 595 HB3 ARG 74 HB3 ARG 74 7.803 -7.715 0.021 596 HG2 ARG 74 HG2 ARG 74 7.597 -9.299 -2.522 597 HG3 ARG 74 HG3 ARG 74 7.869 -10.036 -0.945 598 HD2 ARG 74 HD2 ARG 74 5.777 -8.978 -0.142 599 HD3 ARG 74 HD3 ARG 74 5.493 -8.376 -1.777 600 HE ARG 74 HE ARG 74 5.918 -11.181 -1.823 601 HH11 ARG 74 HH11 ARG 74 3.496 -8.807 -0.931 602 HH12 ARG 74 HH12 ARG 74 2.159 -9.888 -1.192 603 HH21 ARG 74 HH21 ARG 74 4.180 -12.608 -2.117 604 HH22 ARG 74 HH22 ARG 74 2.555 -12.057 -1.850 605 H LEU 75 H LEU 75 7.453 -5.105 0.084 606 HA LEU 75 HA LEU 75 4.603 -5.215 0.044 607 HB2 LEU 75 HB2 LEU 75 6.669 -3.906 1.687 608 HB3 LEU 75 HB3 LEU 75 5.119 -3.088 1.627 609 HG LEU 75 HG LEU 75 3.988 -5.046 2.493 610 HD11 LEU 75 HD11 LEU 75 5.224 -7.040 3.186 611 HD12 LEU 75 HD12 LEU 75 6.691 -6.377 2.466 612 HD13 LEU 75 HD13 LEU 75 5.315 -6.787 1.443 613 HD21 LEU 75 HD21 LEU 75 4.990 -5.151 4.714 614 HD22 LEU 75 HD22 LEU 75 4.953 -3.497 4.103 615 HD23 LEU 75 HD23 LEU 75 6.463 -4.409 4.087 616 H GLN 76 H GLN 76 6.965 -2.737 -0.934 617 HA GLN 76 HA GLN 76 5.109 -0.683 -1.407 618 HB2 GLN 76 HB2 GLN 76 6.867 0.397 -2.697 619 HB3 GLN 76 HB3 GLN 76 7.504 -0.254 -1.198 620 HG2 GLN 76 HG2 GLN 76 8.266 -2.242 -2.559 621 HG3 GLN 76 HG3 GLN 76 7.857 -1.300 -3.991 622 HE21 GLN 76 HE21 GLN 76 9.161 0.059 -1.055 623 HE22 GLN 76 HE22 GLN 76 10.695 0.504 -1.713 624 H GLN 77 H GLN 77 6.274 -3.233 -3.467 625 HA GLN 77 HA GLN 77 5.505 -2.420 -5.978 626 HB2 GLN 77 HB2 GLN 77 6.790 -4.467 -5.424 627 HB3 GLN 77 HB3 GLN 77 5.304 -5.225 -4.871 628 HG2 GLN 77 HG2 GLN 77 4.385 -5.001 -7.149 629 HG3 GLN 77 HG3 GLN 77 5.931 -4.333 -7.676 630 HE21 GLN 77 HE21 GLN 77 4.256 -7.179 -6.604 631 HE22 GLN 77 HE22 GLN 77 5.466 -8.323 -7.075 632 H ARG 78 H ARG 78 3.421 -3.239 -3.363 633 HA ARG 78 HA ARG 78 1.175 -4.225 -4.699 634 HB2 ARG 78 HB2 ARG 78 -0.103 -3.608 -2.768 635 HB3 ARG 78 HB3 ARG 78 1.462 -4.198 -2.242 636 HG2 ARG 78 HG2 ARG 78 2.216 -1.880 -1.928 637 HG3 ARG 78 HG3 ARG 78 0.611 -1.318 -2.400 638 HD2 ARG 78 HD2 ARG 78 0.920 -1.400 0.046 639 HD3 ARG 78 HD3 ARG 78 -0.388 -2.443 -0.513 640 HE ARG 78 HE ARG 78 2.068 -3.865 -0.347 641 HH11 ARG 78 HH11 ARG 78 -0.495 -2.560 1.638 642 HH12 ARG 78 HH12 ARG 78 -0.318 -3.750 2.883 643 HH21 ARG 78 HH21 ARG 78 2.303 -5.456 1.266 644 HH22 ARG 78 HH22 ARG 78 1.289 -5.411 2.672 645 H VAL 79 H VAL 79 2.331 -0.955 -4.328 646 HA VAL 79 HA VAL 79 -0.035 0.425 -4.919 647 HB VAL 79 HB VAL 79 1.376 2.342 -5.541 648 HG11 VAL 79 HG11 VAL 79 2.343 0.875 -3.091 649 HG12 VAL 79 HG12 VAL 79 0.907 1.894 -3.193 650 HG13 VAL 79 HG13 VAL 79 2.508 2.604 -3.396 651 HG21 VAL 79 HG21 VAL 79 3.826 2.157 -5.410 652 HG22 VAL 79 HG22 VAL 79 3.158 1.195 -6.728 653 HG23 VAL 79 HG23 VAL 79 3.675 0.409 -5.236 654 H THR 80 H THR 80 2.380 -1.002 -7.046 655 HA THR 80 HA THR 80 1.396 0.133 -9.453 656 HB THR 80 HB THR 80 2.862 -2.499 -9.225 657 HG1 THR 80 HG1 THR 80 4.180 -0.008 -9.472 658 HG21 THR 80 HG21 THR 80 2.884 -0.317 -11.315 659 HG22 THR 80 HG22 THR 80 2.049 -1.863 -11.455 660 HG23 THR 80 HG23 THR 80 3.811 -1.817 -11.378 661 H ALA 81 H ALA 81 0.714 -2.825 -7.665 662 HA ALA 81 HA ALA 81 -1.004 -3.997 -9.603 663 HB1 ALA 81 HB1 ALA 81 -1.703 -5.498 -7.819 664 HB2 ALA 81 HB2 ALA 81 -0.926 -4.462 -6.621 665 HB3 ALA 81 HB3 ALA 81 0.049 -5.312 -7.821 666 H ILE 82 H ILE 82 -1.514 -1.882 -6.823 667 HA ILE 82 HA ILE 82 -4.311 -1.773 -6.844 668 HB ILE 82 HB ILE 82 -2.338 0.418 -6.157 669 HG12 ILE 82 HG12 ILE 82 -2.138 -1.622 -4.776 670 HG13 ILE 82 HG13 ILE 82 -2.709 -0.244 -3.841 671 HG21 ILE 82 HG21 ILE 82 -4.187 1.455 -4.911 672 HG22 ILE 82 HG22 ILE 82 -5.286 0.236 -5.554 673 HG23 ILE 82 HG23 ILE 82 -4.507 1.382 -6.643 674 HD11 ILE 82 HD11 ILE 82 -4.991 -1.097 -3.989 675 HD12 ILE 82 HD12 ILE 82 -3.899 -2.263 -3.243 676 HD13 ILE 82 HD13 ILE 82 -4.408 -2.479 -4.918 677 H MET 83 H MET 83 -1.934 0.273 -8.523 678 HA MET 83 HA MET 83 -3.762 1.933 -9.847 679 HB2 MET 83 HB2 MET 83 -0.973 1.110 -10.673 680 HB3 MET 83 HB3 MET 83 -1.891 2.399 -11.430 681 HG2 MET 83 HG2 MET 83 -1.064 2.347 -8.535 682 HG3 MET 83 HG3 MET 83 -0.210 3.200 -9.816 683 HE1 MET 83 HE1 MET 83 -4.183 4.433 -7.853 684 HE2 MET 83 HE2 MET 83 -2.972 3.352 -7.166 685 HE3 MET 83 HE3 MET 83 -3.965 2.814 -8.520 686 H ARG 84 H ARG 84 -2.373 -1.178 -10.784 687 HA ARG 84 HA ARG 84 -3.326 -1.238 -13.422 688 HB2 ARG 84 HB2 ARG 84 -1.652 -2.823 -12.620 689 HB3 ARG 84 HB3 ARG 84 -2.827 -3.539 -11.524 690 HG2 ARG 84 HG2 ARG 84 -4.148 -4.309 -13.418 691 HG3 ARG 84 HG3 ARG 84 -3.006 -3.557 -14.533 692 HD2 ARG 84 HD2 ARG 84 -1.228 -5.014 -13.683 693 HD3 ARG 84 HD3 ARG 84 -2.380 -5.766 -12.580 694 HE ARG 84 HE ARG 84 -3.579 -6.199 -14.913 695 HH11 ARG 84 HH11 ARG 84 -0.249 -6.641 -13.928 696 HH12 ARG 84 HH12 ARG 84 0.057 -7.925 -15.065 697 HH21 ARG 84 HH21 ARG 84 -3.203 -7.921 -16.381 698 HH22 ARG 84 HH22 ARG 84 -1.625 -8.649 -16.458 699 H TYR 85 H TYR 85 -4.817 -2.432 -10.415 700 HA TYR 85 HA TYR 85 -7.160 -3.353 -11.765 701 HB2 TYR 85 HB2 TYR 85 -6.481 -4.337 -9.631 702 HB3 TYR 85 HB3 TYR 85 -6.714 -2.786 -8.827 703 HD1 TYR 85 HD1 TYR 85 -8.497 -5.464 -10.673 704 HD2 TYR 85 HD2 TYR 85 -8.840 -2.162 -8.012 705 HE1 TYR 85 HE1 TYR 85 -10.859 -6.026 -10.288 706 HE2 TYR 85 HE2 TYR 85 -11.200 -2.720 -7.615 707 HH TYR 85 HH TYR 85 -12.580 -5.648 -8.498 708 H ALA 86 H ALA 86 -6.295 -0.428 -9.996 709 HA ALA 86 HA ALA 86 -8.869 0.683 -9.851 710 HB1 ALA 86 HB1 ALA 86 -6.230 2.132 -9.922 711 HB2 ALA 86 HB2 ALA 86 -6.982 1.435 -8.488 712 HB3 ALA 86 HB3 ALA 86 -7.763 2.773 -9.332 713 H VAL 87 H VAL 87 -6.374 0.932 -12.360 714 HA VAL 87 HA VAL 87 -7.808 2.861 -13.905 715 HB VAL 87 HB VAL 87 -5.323 2.324 -14.077 716 HG11 VAL 87 HG11 VAL 87 -5.403 -0.056 -14.343 717 HG12 VAL 87 HG12 VAL 87 -4.657 0.684 -15.760 718 HG13 VAL 87 HG13 VAL 87 -6.327 0.120 -15.835 719 HG21 VAL 87 HG21 VAL 87 -6.464 3.878 -15.559 720 HG22 VAL 87 HG22 VAL 87 -6.929 2.539 -16.607 721 HG23 VAL 87 HG23 VAL 87 -5.229 2.970 -16.428 722 H GLN 88 H GLN 88 -7.763 -0.588 -13.651 723 HA GLN 88 HA GLN 88 -8.956 -1.149 -16.126 724 HB2 GLN 88 HB2 GLN 88 -7.973 -2.619 -13.909 725 HB3 GLN 88 HB3 GLN 88 -9.625 -3.152 -14.178 726 HG2 GLN 88 HG2 GLN 88 -7.499 -3.069 -16.301 727 HG3 GLN 88 HG3 GLN 88 -7.930 -4.498 -15.365 728 HE21 GLN 88 HE21 GLN 88 -9.910 -5.492 -15.717 729 HE22 GLN 88 HE22 GLN 88 -10.845 -5.201 -17.141 730 H ASN 89 H ASN 89 -10.176 -0.298 -12.995 731 HA ASN 89 HA ASN 89 -12.948 -0.699 -13.832 732 HB2 ASN 89 HB2 ASN 89 -11.716 -0.044 -11.154 733 HB3 ASN 89 HB3 ASN 89 -13.452 -0.048 -11.436 734 HD21 ASN 89 HD21 ASN 89 -13.832 -1.677 -9.994 735 HD22 ASN 89 HD22 ASN 89 -13.368 -3.319 -10.269 736 H ASP 90 H ASP 90 -10.852 1.534 -14.501 737 HA ASP 90 HA ASP 90 -10.967 3.691 -15.203 738 HB2 ASP 90 HB2 ASP 90 -13.930 3.224 -14.854 739 HB3 ASP 90 HB3 ASP 90 -13.243 4.666 -15.594 740 H TYR 91 H TYR 91 -10.651 3.174 -12.329 741 HA TYR 91 HA TYR 91 -12.150 5.310 -11.063 742 HB2 TYR 91 HB2 TYR 91 -10.118 3.365 -9.969 743 HB3 TYR 91 HB3 TYR 91 -10.877 4.622 -9.000 744 HD1 TYR 91 HD1 TYR 91 -13.634 4.350 -10.404 745 HD2 TYR 91 HD2 TYR 91 -10.966 1.529 -8.662 746 HE1 TYR 91 HE1 TYR 91 -15.527 2.856 -9.940 747 HE2 TYR 91 HE2 TYR 91 -12.856 0.025 -8.198 748 HH TYR 91 HH TYR 91 -15.365 0.266 -7.854 749 H ILE 92 H ILE 92 -8.724 4.629 -11.784 750 HA ILE 92 HA ILE 92 -7.980 7.202 -10.655 751 HB ILE 92 HB ILE 92 -5.658 6.543 -11.149 752 HG12 ILE 92 HG12 ILE 92 -6.883 3.940 -12.092 753 HG13 ILE 92 HG13 ILE 92 -6.151 5.148 -13.142 754 HG21 ILE 92 HG21 ILE 92 -7.283 4.506 -9.640 755 HG22 ILE 92 HG22 ILE 92 -6.618 6.009 -8.999 756 HG23 ILE 92 HG23 ILE 92 -5.537 4.714 -9.512 757 HD11 ILE 92 HD11 ILE 92 -4.002 4.797 -12.066 758 HD12 ILE 92 HD12 ILE 92 -4.646 3.285 -12.707 759 HD13 ILE 92 HD13 ILE 92 -4.729 3.616 -10.977 760 H ASP 93 H ASP 93 -6.506 8.628 -11.812 761 HA ASP 93 HA ASP 93 -7.437 9.213 -14.471 762 HB2 ASP 93 HB2 ASP 93 -7.021 11.100 -13.076 763 HB3 ASP 93 HB3 ASP 93 -5.419 10.519 -12.643 764 H SER 94 H SER 94 -4.220 8.573 -13.092 765 HA SER 94 HA SER 94 -3.419 7.454 -15.681 766 HB2 SER 94 HB2 SER 94 -1.115 8.586 -15.031 767 HB3 SER 94 HB3 SER 94 -2.365 9.500 -15.878 768 HG SER 94 HG SER 94 -2.879 10.549 -14.049 769 H ASN 95 H ASN 95 -1.148 6.384 -15.394 770 HA ASN 95 HA ASN 95 -1.343 4.696 -12.987 771 HB2 ASN 95 HB2 ASN 95 -0.338 4.051 -15.759 772 HB3 ASN 95 HB3 ASN 95 -0.104 2.985 -14.377 773 HD21 ASN 95 HD21 ASN 95 -1.860 1.893 -13.525 774 HD22 ASN 95 HD22 ASN 95 -3.373 1.775 -14.347 775 HA PRO 96 HA PRO 96 2.813 6.481 -12.409 776 HB2 PRO 96 HB2 PRO 96 2.541 7.236 -9.864 777 HB3 PRO 96 HB3 PRO 96 1.858 8.212 -11.172 778 HG2 PRO 96 HG2 PRO 96 0.499 6.348 -9.285 779 HG3 PRO 96 HG3 PRO 96 -0.077 7.881 -9.958 780 HD2 PRO 96 HD2 PRO 96 -0.742 5.323 -10.884 781 HD3 PRO 96 HD3 PRO 96 -1.000 6.847 -11.753 782 H ALA 97 H ALA 97 4.228 6.006 -10.262 783 HA ALA 97 HA ALA 97 5.204 4.562 -8.817 784 HB1 ALA 97 HB1 ALA 97 2.960 4.289 -7.854 785 HB2 ALA 97 HB2 ALA 97 3.927 2.818 -7.747 786 HB3 ALA 97 HB3 ALA 97 2.661 2.954 -8.967 787 H SER 98 H SER 98 4.405 3.786 -11.937 788 HA SER 98 HA SER 98 5.344 1.106 -12.087 789 HB2 SER 98 HB2 SER 98 5.317 3.190 -14.281 790 HB3 SER 98 HB3 SER 98 5.331 1.439 -14.480 791 HG SER 98 HG SER 98 3.234 2.159 -14.731 792 H ASP 99 H ASP 99 6.876 4.100 -11.696 793 HA ASP 99 HA ASP 99 9.499 2.908 -12.311 794 HB2 ASP 99 HB2 ASP 99 8.931 4.688 -13.917 795 HB3 ASP 99 HB3 ASP 99 8.633 5.803 -12.592 796 H MET 100 H MET 100 7.646 3.227 -9.894 797 HA MET 100 HA MET 100 8.916 5.034 -8.089 798 HB2 MET 100 HB2 MET 100 6.548 4.293 -7.909 799 HB3 MET 100 HB3 MET 100 7.111 2.683 -7.487 800 HG2 MET 100 HG2 MET 100 8.243 3.679 -5.509 801 HG3 MET 100 HG3 MET 100 7.468 5.210 -5.902 802 HE1 MET 100 HE1 MET 100 5.497 3.799 -2.753 803 HE2 MET 100 HE2 MET 100 6.548 5.089 -3.341 804 HE3 MET 100 HE3 MET 100 7.194 3.465 -3.103 805 H ALA 101 H ALA 101 9.310 1.670 -8.894 806 HA ALA 101 HA ALA 101 11.562 1.519 -7.010 807 HB1 ALA 101 HB1 ALA 101 11.123 -0.875 -6.772 808 HB2 ALA 101 HB2 ALA 101 9.724 -0.728 -7.836 809 HB3 ALA 101 HB3 ALA 101 9.728 0.080 -6.269 810 H GLY 102 H GLY 102 13.485 0.872 -7.857 811 HA2 GLY 102 HA2 GLY 102 13.620 -0.512 -10.381 812 HA3 GLY 102 HA3 GLY 102 14.119 1.170 -10.473 813 H ALA 103 H ALA 103 16.248 1.113 -10.716 814 HA ALA 103 HA ALA 103 17.860 -0.955 -9.559 815 HB1 ALA 103 HB1 ALA 103 19.716 0.122 -10.681 816 HB2 ALA 103 HB2 ALA 103 18.721 1.540 -11.013 817 HB3 ALA 103 HB3 ALA 103 18.336 -0.007 -11.772 818 H LEU 104 H LEU 104 17.326 -0.532 -7.313 819 HA LEU 104 HA LEU 104 19.362 1.252 -6.203 820 HB2 LEU 104 HB2 LEU 104 17.795 1.707 -4.290 821 HB3 LEU 104 HB3 LEU 104 17.381 2.472 -5.806 822 HG LEU 104 HG LEU 104 15.806 0.395 -6.097 823 HD11 LEU 104 HD11 LEU 104 14.900 -0.423 -3.991 824 HD12 LEU 104 HD12 LEU 104 16.100 0.513 -3.098 825 HD13 LEU 104 HD13 LEU 104 16.615 -0.816 -4.137 826 HD21 LEU 104 HD21 LEU 104 15.072 2.710 -5.935 827 HD22 LEU 104 HD22 LEU 104 15.195 2.635 -4.179 828 HD23 LEU 104 HD23 LEU 104 14.007 1.640 -5.020 829 H SER 105 H SER 105 18.131 -1.799 -6.502 830 HA SER 105 HA SER 105 19.354 -2.712 -3.984 831 HB2 SER 105 HB2 SER 105 17.388 -4.210 -5.733 832 HB3 SER 105 HB3 SER 105 17.952 -4.684 -4.132 833 HG SER 105 HG SER 105 15.812 -3.398 -4.566 834 H THR 106 H THR 106 19.882 -2.421 -7.228 835 HA THR 106 HA THR 106 21.321 -4.944 -7.522 836 HB THR 106 HB THR 106 21.488 -3.985 -9.966 837 HG1 THR 106 HG1 THR 106 19.546 -2.704 -10.379 838 HG21 THR 106 HG21 THR 106 19.328 -5.027 -10.505 839 HG22 THR 106 HG22 THR 106 18.902 -5.014 -8.795 840 HG23 THR 106 HG23 THR 106 20.251 -5.999 -9.359 841 H THR 107 H THR 107 23.313 -4.762 -6.716 842 HA THR 107 HA THR 107 25.031 -2.668 -7.831 843 HB THR 107 HB THR 107 25.496 -3.465 -4.999 844 HG1 THR 107 HG1 THR 107 23.321 -2.003 -5.931 845 HG21 THR 107 HG21 THR 107 25.878 -0.881 -6.512 846 HG22 THR 107 HG22 THR 107 27.129 -2.077 -6.175 847 HG23 THR 107 HG23 THR 107 26.383 -1.186 -4.849 848 H LYS 108 H LYS 108 27.097 -3.290 -8.201 849 HA LYS 108 HA LYS 108 28.483 -5.446 -7.149 850 HB2 LYS 108 HB2 LYS 108 28.482 -7.003 -9.077 851 HB3 LYS 108 HB3 LYS 108 26.913 -6.912 -8.288 852 HG2 LYS 108 HG2 LYS 108 26.020 -5.572 -10.033 853 HG3 LYS 108 HG3 LYS 108 27.615 -5.340 -10.754 854 HD2 LYS 108 HD2 LYS 108 26.172 -7.018 -11.923 855 HD3 LYS 108 HD3 LYS 108 27.741 -7.631 -11.400 856 HE2 LYS 108 HE2 LYS 108 26.742 -8.697 -9.491 857 HE3 LYS 108 HE3 LYS 108 25.177 -7.981 -9.859 858 HZ1 LYS 108 HZ1 LYS 108 25.391 -10.329 -10.570 859 HZ2 LYS 108 HZ2 LYS 108 26.608 -9.860 -11.659 860 HZ3 LYS 108 HZ3 LYS 108 25.028 -9.271 -11.843 861 H ALA 109 H ALA 109 30.319 -6.075 -8.787 862 HA ALA 109 HA ALA 109 30.974 -4.091 -10.758 863 HB1 ALA 109 HB1 ALA 109 31.587 -2.868 -8.726 864 HB2 ALA 109 HB2 ALA 109 33.008 -3.260 -9.693 865 HB3 ALA 109 HB3 ALA 109 32.642 -4.196 -8.243 866 H ARG 110 H ARG 110 32.820 -6.179 -8.572 867 HA ARG 110 HA ARG 110 33.326 -8.297 -10.309 868 HB2 ARG 110 HB2 ARG 110 34.517 -6.556 -11.645 869 HB3 ARG 110 HB3 ARG 110 35.553 -6.238 -10.261 870 HG2 ARG 110 HG2 ARG 110 36.737 -7.623 -11.809 871 HG3 ARG 110 HG3 ARG 110 36.344 -8.586 -10.383 872 HD2 ARG 110 HD2 ARG 110 34.373 -9.476 -11.606 873 HD3 ARG 110 HD3 ARG 110 34.923 -8.613 -13.042 874 HE ARG 110 HE ARG 110 36.818 -10.452 -11.816 875 HH11 ARG 110 HH11 ARG 110 34.393 -9.945 -14.300 876 HH12 ARG 110 HH12 ARG 110 34.988 -11.227 -15.310 877 HH21 ARG 110 HH21 ARG 110 37.597 -12.135 -13.160 878 HH22 ARG 110 HH22 ARG 110 36.783 -12.474 -14.663 879 H HIS 111 H HIS 111 34.819 -9.803 -9.355 880 HA HIS 111 HA HIS 111 36.151 -10.754 -7.787 881 HB2 HIS 111 HB2 HIS 111 37.517 -8.751 -7.693 882 HB3 HIS 111 HB3 HIS 111 36.356 -7.965 -6.630 883 HD1 HIS 111 HD1 HIS 111 36.692 -8.274 -4.162 884 HD2 HIS 111 HD2 HIS 111 38.881 -10.994 -6.432 885 HE1 HIS 111 HE1 HIS 111 38.177 -9.486 -2.529 886 HE2 HIS 111 HE2 HIS 111 39.388 -11.219 -3.900 887 H TYR 112 H TYR 112 34.424 -12.005 -7.155 888 HA TYR 112 HA TYR 112 33.250 -11.228 -4.562 889 HB2 TYR 112 HB2 TYR 112 31.577 -11.577 -6.385 890 HB3 TYR 112 HB3 TYR 112 32.157 -13.229 -6.563 891 HD1 TYR 112 HD2 TYR 112 30.532 -10.891 -4.193 892 HD2 TYR 112 HD1 TYR 112 31.347 -14.953 -5.170 893 HE1 TYR 112 HE2 TYR 112 28.948 -11.617 -2.461 894 HE2 TYR 112 HE1 TYR 112 29.761 -15.694 -3.442 895 HH TYR 112 HH TYR 112 28.742 -14.845 -1.385 896 HA PRO 113 HA PRO 113 36.032 -14.476 -3.319 897 HB2 PRO 113 HB2 PRO 113 35.440 -13.980 -0.581 898 HB3 PRO 113 HB3 PRO 113 36.840 -13.433 -1.500 899 HG2 PRO 113 HG2 PRO 113 34.794 -11.831 -0.491 900 HG3 PRO 113 HG3 PRO 113 36.015 -11.343 -1.674 901 HD2 PRO 113 HD2 PRO 113 33.174 -12.077 -2.067 902 HD3 PRO 113 HD3 PRO 113 34.217 -11.022 -3.041 903 H LEU 114 H LEU 114 35.197 -16.382 -3.760 904 HA LEU 114 HA LEU 114 32.724 -17.343 -2.675 905 HB2 LEU 114 HB2 LEU 114 33.566 -17.984 -4.910 906 HB3 LEU 114 HB3 LEU 114 34.902 -18.826 -4.149 907 HG LEU 114 HG LEU 114 33.305 -20.376 -3.080 908 HD11 LEU 114 HD11 LEU 114 31.246 -18.905 -4.720 909 HD12 LEU 114 HD12 LEU 114 31.361 -18.927 -2.959 910 HD13 LEU 114 HD13 LEU 114 30.976 -20.407 -3.838 911 HD21 LEU 114 HD21 LEU 114 34.338 -20.967 -5.205 912 HD22 LEU 114 HD22 LEU 114 33.037 -20.157 -6.077 913 HD23 LEU 114 HD23 LEU 114 32.692 -21.591 -5.114 914 H GLU 115 H GLU 115 36.131 -17.800 -1.969 915 HA GLU 115 HA GLU 115 35.592 -19.818 0.045 916 HB2 GLU 115 HB2 GLU 115 38.165 -18.441 -0.727 917 HB3 GLU 115 HB3 GLU 115 38.031 -19.788 0.393 918 HG2 GLU 115 HG2 GLU 115 37.120 -21.166 -1.454 919 HG3 GLU 115 HG3 GLU 115 37.413 -19.817 -2.552 920 H HIS 116 H HIS 116 34.383 -17.254 0.468 921 HA HIS 116 HA HIS 116 35.771 -16.435 2.935 922 HB2 HIS 116 HB2 HIS 116 35.837 -14.704 1.135 923 HB3 HIS 116 HB3 HIS 116 34.081 -14.677 1.142 924 HD1 HIS 116 HD1 HIS 116 32.948 -13.224 2.872 925 HD2 HIS 116 HD2 HIS 116 37.040 -13.624 3.513 926 HE1 HIS 116 HE1 HIS 116 33.530 -11.525 4.632 927 HE2 HIS 116 HE2 HIS 116 36.032 -11.659 4.873 928 H HIS 117 H HIS 117 34.611 -17.773 4.290 929 HA HIS 117 HA HIS 117 31.687 -17.503 4.233 930 HB2 HIS 117 HB2 HIS 117 33.481 -19.623 5.403 931 HB3 HIS 117 HB3 HIS 117 31.779 -19.493 5.844 932 HD1 HIS 117 HD1 HIS 117 33.338 -21.809 4.107 933 HD2 HIS 117 HD2 HIS 117 30.642 -18.927 2.783 934 HE1 HIS 117 HE1 HIS 117 32.352 -22.722 1.981 935 HE2 HIS 117 HE2 HIS 117 30.541 -21.079 1.360 936 H HIS 118 H HIS 118 31.675 -15.483 5.156 937 HA HIS 118 HA HIS 118 31.144 -15.356 7.882 938 HB2 HIS 118 HB2 HIS 118 33.643 -15.547 8.113 939 HB3 HIS 118 HB3 HIS 118 33.804 -14.074 7.163 940 HD1 HIS 118 HD1 HIS 118 32.788 -15.313 10.553 941 HD2 HIS 118 HD2 HIS 118 33.252 -11.700 8.540 942 HE1 HIS 118 HE1 HIS 118 32.682 -13.526 12.320 943 HE2 HIS 118 HE2 HIS 118 33.147 -11.373 11.104 944 H HIS 119 H HIS 119 29.708 -13.688 7.977 945 HA HIS 119 HA HIS 119 29.473 -12.148 5.538 946 HB2 HIS 119 HB2 HIS 119 27.521 -13.256 6.764 947 HB3 HIS 119 HB3 HIS 119 27.631 -11.920 7.908 948 HD1 HIS 119 HD1 HIS 119 26.441 -9.813 7.282 949 HD2 HIS 119 HD2 HIS 119 26.954 -12.380 4.051 950 HE1 HIS 119 HE1 HIS 119 25.161 -8.775 5.378 951 HE2 HIS 119 HE2 HIS 119 25.318 -10.459 3.503 952 H HIS 120 H HIS 120 31.459 -10.987 5.946 953 HA HIS 120 HA HIS 120 30.884 -8.317 6.527 954 HB2 HIS 120 HB2 HIS 120 31.031 -9.052 8.903 955 HB3 HIS 120 HB3 HIS 120 32.678 -9.604 8.605 956 HD1 HIS 120 HD1 HIS 120 34.387 -7.964 9.337 957 HD2 HIS 120 HD2 HIS 120 30.856 -6.111 8.140 958 HE1 HIS 120 HE1 HIS 120 34.761 -5.493 9.666 959 HE2 HIS 120 HE2 HIS 120 32.703 -4.398 8.707 960 H HIS 121 H HIS 121 31.944 -7.613 4.804 961 HA HIS 121 HA HIS 121 34.728 -8.486 4.442 962 HB2 HIS 121 HB2 HIS 121 34.562 -7.879 2.113 963 HB3 HIS 121 HB3 HIS 121 33.193 -8.908 2.506 964 HD1 HIS 121 HD1 HIS 121 30.862 -7.924 2.207 965 HD2 HIS 121 HD2 HIS 121 33.900 -5.153 1.595 966 HE1 HIS 121 HE1 HIS 121 29.743 -5.903 1.210 967 HE2 HIS 121 HE2 HIS 121 31.586 -4.200 0.936 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -28.862 -2.179 -4.041 2 H2 MET 1 H2 MET 1 -30.093 -3.334 -3.879 3 H3 MET 1 H3 MET 1 -28.860 -3.563 -5.023 4 HA MET 1 HA MET 1 -28.543 -3.546 -2.079 5 HB2 MET 1 HB2 MET 1 -28.315 -5.764 -4.127 6 HB3 MET 1 HB3 MET 1 -27.839 -5.916 -2.442 7 HG2 MET 1 HG2 MET 1 -30.124 -5.522 -1.735 8 HG3 MET 1 HG3 MET 1 -30.620 -5.299 -3.410 9 HE1 MET 1 HE1 MET 1 -30.141 -8.878 -4.899 10 HE2 MET 1 HE2 MET 1 -28.982 -7.547 -4.923 11 HE3 MET 1 HE3 MET 1 -30.695 -7.231 -5.204 12 H GLU 2 H GLU 2 -26.740 -2.498 -1.638 13 HA GLU 2 HA GLU 2 -24.578 -2.523 -3.617 14 HB2 GLU 2 HB2 GLU 2 -25.126 -0.647 -1.310 15 HB3 GLU 2 HB3 GLU 2 -23.708 -0.557 -2.342 16 HG2 GLU 2 HG2 GLU 2 -25.219 1.074 -3.124 17 HG3 GLU 2 HG3 GLU 2 -25.265 -0.247 -4.288 18 H ASN 3 H ASN 3 -22.826 -3.657 -3.274 19 HA ASN 3 HA ASN 3 -22.296 -4.858 -0.688 20 HB2 ASN 3 HB2 ASN 3 -21.915 -6.222 -2.661 21 HB3 ASN 3 HB3 ASN 3 -20.836 -5.010 -3.341 22 HD21 ASN 3 HD21 ASN 3 -21.202 -7.496 -0.932 23 HD22 ASN 3 HD22 ASN 3 -19.520 -7.650 -0.552 24 H SER 4 H SER 4 -20.672 -4.302 0.698 25 HA SER 4 HA SER 4 -19.085 -3.047 1.727 26 HB2 SER 4 HB2 SER 4 -17.738 -3.496 -0.336 27 HB3 SER 4 HB3 SER 4 -18.386 -2.018 -1.041 28 HG SER 4 HG SER 4 -16.426 -2.362 0.862 29 H GLY 5 H GLY 5 -18.279 -0.327 0.855 30 HA2 GLY 5 HA2 GLY 5 -20.448 1.346 0.361 31 HA3 GLY 5 HA3 GLY 5 -20.372 1.125 2.104 32 H ALA 6 H ALA 6 -17.785 1.137 2.709 33 HA ALA 6 HA ALA 6 -16.972 3.849 2.001 34 HB1 ALA 6 HB1 ALA 6 -15.854 2.007 4.116 35 HB2 ALA 6 HB2 ALA 6 -17.078 3.246 4.387 36 HB3 ALA 6 HB3 ALA 6 -15.448 3.709 3.893 37 H TYR 7 H TYR 7 -16.102 3.594 -0.033 38 HA TYR 7 HA TYR 7 -14.250 1.503 -0.651 39 HB2 TYR 7 HB2 TYR 7 -14.941 4.028 -2.170 40 HB3 TYR 7 HB3 TYR 7 -13.963 2.707 -2.798 41 HD1 TYR 7 HD1 TYR 7 -15.024 0.477 -3.207 42 HD2 TYR 7 HD2 TYR 7 -17.314 3.916 -2.171 43 HE1 TYR 7 HE1 TYR 7 -17.056 -0.627 -4.042 44 HE2 TYR 7 HE2 TYR 7 -19.351 2.817 -3.002 45 HH TYR 7 HH TYR 7 -19.976 1.057 -4.573 46 H THR 8 H THR 8 -12.527 1.627 0.700 47 HA THR 8 HA THR 8 -10.909 4.081 0.546 48 HB THR 8 HB THR 8 -10.570 2.073 2.750 49 HG1 THR 8 HG1 THR 8 -12.861 2.678 2.554 50 HG21 THR 8 HG21 THR 8 -8.970 3.905 2.588 51 HG22 THR 8 HG22 THR 8 -9.969 4.094 4.029 52 HG23 THR 8 HG23 THR 8 -10.285 5.079 2.601 53 H PHE 9 H PHE 9 -8.497 3.297 1.312 54 HA PHE 9 HA PHE 9 -7.352 2.131 -0.925 55 HB2 PHE 9 HB2 PHE 9 -6.192 3.583 0.716 56 HB3 PHE 9 HB3 PHE 9 -6.218 2.263 1.879 57 HD1 PHE 9 HD1 PHE 9 -4.847 3.372 -1.360 58 HD2 PHE 9 HD2 PHE 9 -4.592 0.556 1.822 59 HE1 PHE 9 HE1 PHE 9 -2.692 2.580 -2.237 60 HE2 PHE 9 HE2 PHE 9 -2.431 -0.235 0.951 61 HZ PHE 9 HZ PHE 9 -1.482 0.776 -1.082 62 H GLU 10 H GLU 10 -8.216 0.636 2.169 63 HA GLU 10 HA GLU 10 -7.033 -1.872 1.518 64 HB2 GLU 10 HB2 GLU 10 -8.571 -2.589 3.548 65 HB3 GLU 10 HB3 GLU 10 -7.083 -1.686 3.780 66 HG2 GLU 10 HG2 GLU 10 -8.788 -0.761 5.177 67 HG3 GLU 10 HG3 GLU 10 -8.406 0.394 3.905 68 H THR 11 H THR 11 -10.215 -0.510 1.139 69 HA THR 11 HA THR 11 -11.688 -2.829 0.633 70 HB THR 11 HB THR 11 -12.079 -0.145 -0.701 71 HG1 THR 11 HG1 THR 11 -11.926 -0.385 1.796 72 HG21 THR 11 HG21 THR 11 -14.443 -0.782 -0.754 73 HG22 THR 11 HG22 THR 11 -14.052 -2.329 -0.003 74 HG23 THR 11 HG23 THR 11 -13.457 -1.959 -1.623 75 H ILE 12 H ILE 12 -9.975 -0.693 -1.634 76 HA ILE 12 HA ILE 12 -10.557 -2.160 -3.969 77 HB ILE 12 HB ILE 12 -8.170 -0.381 -3.430 78 HG12 ILE 12 HG12 ILE 12 -10.283 0.791 -3.038 79 HG13 ILE 12 HG13 ILE 12 -9.510 1.389 -4.502 80 HG21 ILE 12 HG21 ILE 12 -9.393 -1.246 -6.050 81 HG22 ILE 12 HG22 ILE 12 -7.851 -1.796 -5.395 82 HG23 ILE 12 HG23 ILE 12 -8.060 -0.107 -5.857 83 HD11 ILE 12 HD11 ILE 12 -11.921 1.141 -4.771 84 HD12 ILE 12 HD12 ILE 12 -11.787 -0.579 -4.403 85 HD13 ILE 12 HD13 ILE 12 -11.036 0.071 -5.860 86 H ALA 13 H ALA 13 -7.916 -2.311 -1.651 87 HA ALA 13 HA ALA 13 -6.270 -4.121 -3.042 88 HB1 ALA 13 HB1 ALA 13 -6.495 -3.648 -0.072 89 HB2 ALA 13 HB2 ALA 13 -5.462 -2.755 -1.189 90 HB3 ALA 13 HB3 ALA 13 -5.166 -4.469 -0.890 91 H ARG 14 H ARG 14 -8.807 -4.615 -0.604 92 HA ARG 14 HA ARG 14 -8.350 -7.368 -0.244 93 HB2 ARG 14 HB2 ARG 14 -9.667 -6.026 1.333 94 HB3 ARG 14 HB3 ARG 14 -10.938 -5.856 0.128 95 HG2 ARG 14 HG2 ARG 14 -11.148 -8.333 0.094 96 HG3 ARG 14 HG3 ARG 14 -10.007 -8.400 1.434 97 HD2 ARG 14 HD2 ARG 14 -11.537 -7.039 2.774 98 HD3 ARG 14 HD3 ARG 14 -12.682 -7.024 1.437 99 HE ARG 14 HE ARG 14 -12.238 -9.664 1.816 100 HH11 ARG 14 HH11 ARG 14 -13.143 -7.121 4.074 101 HH12 ARG 14 HH12 ARG 14 -14.106 -8.195 5.055 102 HH21 ARG 14 HH21 ARG 14 -13.474 -11.032 3.089 103 HH22 ARG 14 HH22 ARG 14 -14.301 -10.414 4.495 104 H GLU 15 H GLU 15 -10.258 -5.617 -2.562 105 HA GLU 15 HA GLU 15 -12.007 -7.561 -3.438 106 HB2 GLU 15 HB2 GLU 15 -12.091 -5.225 -4.178 107 HB3 GLU 15 HB3 GLU 15 -10.624 -5.463 -5.116 108 HG2 GLU 15 HG2 GLU 15 -12.493 -5.516 -6.594 109 HG3 GLU 15 HG3 GLU 15 -11.820 -7.140 -6.486 110 H TRP 16 H TRP 16 -8.801 -6.863 -4.914 111 HA TRP 16 HA TRP 16 -8.963 -9.299 -6.455 112 HB2 TRP 16 HB2 TRP 16 -6.657 -8.700 -7.214 113 HB3 TRP 16 HB3 TRP 16 -7.844 -7.434 -7.497 114 HD1 TRP 16 HD1 TRP 16 -7.505 -5.140 -6.259 115 HE1 TRP 16 HE1 TRP 16 -5.573 -4.152 -4.879 116 HE3 TRP 16 HE3 TRP 16 -4.765 -9.396 -5.545 117 HZ2 TRP 16 HZ2 TRP 16 -3.194 -5.067 -3.645 118 HZ3 TRP 16 HZ3 TRP 16 -2.679 -9.255 -4.254 119 HH2 TRP 16 HH2 TRP 16 -1.918 -7.138 -3.324 120 H HIS 17 H HIS 17 -7.418 -8.234 -3.507 121 HA HIS 17 HA HIS 17 -5.630 -10.341 -3.113 122 HB2 HIS 17 HB2 HIS 17 -5.255 -8.591 -1.673 123 HB3 HIS 17 HB3 HIS 17 -6.966 -8.331 -1.366 124 HD1 HIS 17 HD1 HIS 17 -4.086 -10.544 -0.286 125 HD2 HIS 17 HD2 HIS 17 -7.962 -9.566 0.874 126 HE1 HIS 17 HE1 HIS 17 -4.409 -11.601 1.979 127 HE2 HIS 17 HE2 HIS 17 -6.833 -11.167 2.552 128 H GLU 18 H GLU 18 -9.092 -10.196 -2.517 129 HA GLU 18 HA GLU 18 -9.215 -12.193 -0.543 130 HB2 GLU 18 HB2 GLU 18 -10.973 -10.429 -1.289 131 HB3 GLU 18 HB3 GLU 18 -11.492 -11.670 -2.421 132 HG2 GLU 18 HG2 GLU 18 -12.873 -11.865 -0.520 133 HG3 GLU 18 HG3 GLU 18 -11.739 -13.213 -0.461 134 H SER 19 H SER 19 -8.791 -12.469 -3.934 135 HA SER 19 HA SER 19 -9.807 -15.075 -4.321 136 HB2 SER 19 HB2 SER 19 -7.502 -13.717 -5.748 137 HB3 SER 19 HB3 SER 19 -8.411 -15.110 -6.335 138 HG SER 19 HG SER 19 -9.015 -12.859 -7.078 139 H ASN 20 H ASN 20 -6.834 -13.826 -2.990 140 HA ASN 20 HA ASN 20 -5.997 -16.580 -2.350 141 HB2 ASN 20 HB2 ASN 20 -4.363 -15.227 -3.713 142 HB3 ASN 20 HB3 ASN 20 -4.260 -14.093 -2.373 143 HD21 ASN 20 HD21 ASN 20 -3.242 -14.750 -0.451 144 HD22 ASN 20 HD22 ASN 20 -2.164 -16.102 -0.420 145 H LYS 21 H LYS 21 -7.542 -16.530 -0.629 146 HA LYS 21 HA LYS 21 -7.216 -14.440 1.399 147 HB2 LYS 21 HB2 LYS 21 -9.438 -15.235 0.184 148 HB3 LYS 21 HB3 LYS 21 -9.423 -16.453 1.447 149 HG2 LYS 21 HG2 LYS 21 -9.110 -13.603 2.225 150 HG3 LYS 21 HG3 LYS 21 -10.702 -14.177 1.731 151 HD2 LYS 21 HD2 LYS 21 -10.642 -15.890 3.447 152 HD3 LYS 21 HD3 LYS 21 -9.009 -15.400 3.905 153 HE2 LYS 21 HE2 LYS 21 -10.695 -14.491 5.431 154 HE3 LYS 21 HE3 LYS 21 -9.819 -13.219 4.584 155 HZ1 LYS 21 HZ1 LYS 21 -12.216 -12.811 4.699 156 HZ2 LYS 21 HZ2 LYS 21 -12.511 -14.225 3.818 157 HZ3 LYS 21 HZ3 LYS 21 -11.679 -12.931 3.098 158 H ARG 22 H ARG 22 -6.733 -14.892 3.526 159 HA ARG 22 HA ARG 22 -5.725 -17.581 4.034 160 HB2 ARG 22 HB2 ARG 22 -4.180 -15.646 4.326 161 HB3 ARG 22 HB3 ARG 22 -5.225 -15.043 5.604 162 HG2 ARG 22 HG2 ARG 22 -4.606 -16.702 7.082 163 HG3 ARG 22 HG3 ARG 22 -4.119 -17.810 5.797 164 HD2 ARG 22 HD2 ARG 22 -2.663 -15.258 6.475 165 HD3 ARG 22 HD3 ARG 22 -2.221 -16.844 7.107 166 HE ARG 22 HE ARG 22 -2.371 -16.977 4.301 167 HH11 ARG 22 HH11 ARG 22 -0.350 -15.585 6.811 168 HH12 ARG 22 HH12 ARG 22 1.095 -15.644 5.840 169 HH21 ARG 22 HH21 ARG 22 -0.482 -17.070 3.044 170 HH22 ARG 22 HH22 ARG 22 1.023 -16.488 3.704 171 H TRP 23 H TRP 23 -6.002 -18.372 6.276 172 HA TRP 23 HA TRP 23 -8.533 -19.247 6.512 173 HB2 TRP 23 HB2 TRP 23 -6.824 -18.962 8.970 174 HB3 TRP 23 HB3 TRP 23 -7.929 -20.266 8.541 175 HD1 TRP 23 HD1 TRP 23 -4.538 -20.155 9.071 176 HE1 TRP 23 HE1 TRP 23 -3.128 -21.534 7.414 177 HE3 TRP 23 HE3 TRP 23 -7.980 -20.684 5.323 178 HZ2 TRP 23 HZ2 TRP 23 -3.438 -22.684 4.855 179 HZ3 TRP 23 HZ3 TRP 23 -7.338 -21.926 3.303 180 HH2 TRP 23 HH2 TRP 23 -5.117 -22.898 3.077 181 H SER 24 H SER 24 -7.331 -17.063 9.105 182 HA SER 24 HA SER 24 -10.146 -16.400 9.564 183 HB2 SER 24 HB2 SER 24 -9.299 -15.539 11.779 184 HB3 SER 24 HB3 SER 24 -9.101 -17.271 11.518 185 HG SER 24 HG SER 24 -7.032 -17.019 11.700 186 H GLU 25 H GLU 25 -10.893 -14.597 8.725 187 HA GLU 25 HA GLU 25 -9.201 -12.483 7.851 188 HB2 GLU 25 HB2 GLU 25 -11.529 -11.261 7.702 189 HB3 GLU 25 HB3 GLU 25 -11.079 -12.514 6.558 190 HG2 GLU 25 HG2 GLU 25 -13.339 -12.861 7.217 191 HG3 GLU 25 HG3 GLU 25 -12.355 -14.143 7.912 192 H ASP 26 H ASP 26 -10.909 -13.124 10.807 193 HA ASP 26 HA ASP 26 -10.805 -10.546 11.926 194 HB2 ASP 26 HB2 ASP 26 -12.146 -12.371 12.884 195 HB3 ASP 26 HB3 ASP 26 -10.671 -13.219 13.341 196 H HIS 27 H HIS 27 -8.420 -13.144 11.799 197 HA HIS 27 HA HIS 27 -6.531 -11.756 13.448 198 HB2 HIS 27 HB2 HIS 27 -6.354 -14.185 11.688 199 HB3 HIS 27 HB3 HIS 27 -4.898 -13.463 12.366 200 HD1 HIS 27 HD1 HIS 27 -4.439 -15.520 13.869 201 HD2 HIS 27 HD2 HIS 27 -8.100 -13.685 14.577 202 HE1 HIS 27 HE1 HIS 27 -5.261 -16.469 16.039 203 HE2 HIS 27 HE2 HIS 27 -7.345 -15.156 16.562 204 H ARG 28 H ARG 28 -7.310 -11.842 10.060 205 HA ARG 28 HA ARG 28 -5.031 -10.447 9.100 206 HB2 ARG 28 HB2 ARG 28 -7.843 -10.312 7.994 207 HB3 ARG 28 HB3 ARG 28 -6.361 -9.936 7.136 208 HG2 ARG 28 HG2 ARG 28 -7.015 -12.669 8.193 209 HG3 ARG 28 HG3 ARG 28 -7.441 -12.126 6.574 210 HD2 ARG 28 HD2 ARG 28 -5.439 -13.324 6.322 211 HD3 ARG 28 HD3 ARG 28 -4.976 -11.627 6.249 212 HE ARG 28 HE ARG 28 -3.705 -11.937 8.117 213 HH11 ARG 28 HH11 ARG 28 -6.033 -14.539 7.951 214 HH12 ARG 28 HH12 ARG 28 -5.267 -15.488 9.185 215 HH21 ARG 28 HH21 ARG 28 -2.690 -13.163 9.737 216 HH22 ARG 28 HH22 ARG 28 -3.374 -14.684 10.233 217 H SER 29 H SER 29 -8.000 -9.482 10.664 218 HA SER 29 HA SER 29 -7.996 -6.749 10.043 219 HB2 SER 29 HB2 SER 29 -9.905 -8.034 11.042 220 HB3 SER 29 HB3 SER 29 -9.044 -8.029 12.579 221 HG SER 29 HG SER 29 -9.064 -5.672 12.387 222 H ARG 30 H ARG 30 -6.320 -8.570 12.561 223 HA ARG 30 HA ARG 30 -5.343 -6.288 13.949 224 HB2 ARG 30 HB2 ARG 30 -5.423 -8.746 14.750 225 HB3 ARG 30 HB3 ARG 30 -3.937 -8.956 13.835 226 HG2 ARG 30 HG2 ARG 30 -4.240 -6.857 15.964 227 HG3 ARG 30 HG3 ARG 30 -3.699 -8.497 16.313 228 HD2 ARG 30 HD2 ARG 30 -1.676 -8.190 15.296 229 HD3 ARG 30 HD3 ARG 30 -2.318 -7.024 14.140 230 HE ARG 30 HE ARG 30 -2.277 -6.058 16.844 231 HH11 ARG 30 HH11 ARG 30 -0.361 -6.463 13.936 232 HH12 ARG 30 HH12 ARG 30 0.658 -5.087 14.273 233 HH21 ARG 30 HH21 ARG 30 -0.940 -4.261 17.277 234 HH22 ARG 30 HH22 ARG 30 0.332 -3.854 16.161 235 H VAL 31 H VAL 31 -4.235 -8.224 11.253 236 HA VAL 31 HA VAL 31 -1.684 -6.999 10.978 237 HB VAL 31 HB VAL 31 -3.290 -8.421 8.847 238 HG11 VAL 31 HG11 VAL 31 -1.093 -8.939 7.884 239 HG12 VAL 31 HG12 VAL 31 -0.323 -7.969 9.139 240 HG13 VAL 31 HG13 VAL 31 -1.385 -7.201 7.960 241 HG21 VAL 31 HG21 VAL 31 -3.127 -9.844 10.789 242 HG22 VAL 31 HG22 VAL 31 -1.395 -9.538 10.907 243 HG23 VAL 31 HG23 VAL 31 -2.039 -10.441 9.536 244 H LEU 32 H LEU 32 -4.894 -6.132 10.052 245 HA LEU 32 HA LEU 32 -4.362 -4.321 7.984 246 HB2 LEU 32 HB2 LEU 32 -6.621 -5.076 8.611 247 HB3 LEU 32 HB3 LEU 32 -6.506 -4.170 10.106 248 HG LEU 32 HG LEU 32 -6.347 -2.070 8.777 249 HD11 LEU 32 HD11 LEU 32 -5.452 -3.000 6.715 250 HD12 LEU 32 HD12 LEU 32 -6.952 -2.122 6.414 251 HD13 LEU 32 HD13 LEU 32 -6.954 -3.885 6.449 252 HD21 LEU 32 HD21 LEU 32 -8.480 -2.782 9.688 253 HD22 LEU 32 HD22 LEU 32 -8.775 -3.783 8.266 254 HD23 LEU 32 HD23 LEU 32 -8.709 -2.028 8.109 255 H ARG 33 H ARG 33 -4.283 -3.926 11.502 256 HA ARG 33 HA ARG 33 -3.636 -1.149 11.412 257 HB2 ARG 33 HB2 ARG 33 -3.546 -3.245 13.544 258 HB3 ARG 33 HB3 ARG 33 -2.749 -1.699 13.809 259 HG2 ARG 33 HG2 ARG 33 -4.915 -0.582 13.285 260 HG3 ARG 33 HG3 ARG 33 -5.665 -2.182 13.260 261 HD2 ARG 33 HD2 ARG 33 -5.221 -2.536 15.540 262 HD3 ARG 33 HD3 ARG 33 -4.076 -1.195 15.609 263 HE ARG 33 HE ARG 33 -6.998 -0.863 15.283 264 HH11 ARG 33 HH11 ARG 33 -3.907 0.159 16.577 265 HH12 ARG 33 HH12 ARG 33 -4.540 1.608 17.302 266 HH21 ARG 33 HH21 ARG 33 -7.839 1.037 16.281 267 HH22 ARG 33 HH22 ARG 33 -6.769 2.104 17.136 268 H TYR 34 H TYR 34 -1.736 -4.112 11.696 269 HA TYR 34 HA TYR 34 0.806 -2.984 11.888 270 HB2 TYR 34 HB2 TYR 34 0.436 -5.390 12.119 271 HB3 TYR 34 HB3 TYR 34 -0.048 -5.499 10.430 272 HD1 TYR 34 HD2 TYR 34 2.836 -4.725 12.640 273 HD2 TYR 34 HD1 TYR 34 1.546 -5.831 8.740 274 HE1 TYR 34 HE2 TYR 34 5.171 -5.144 11.991 275 HE2 TYR 34 HE1 TYR 34 3.875 -6.259 8.082 276 HH TYR 34 HH TYR 34 6.418 -6.449 10.339 277 H LEU 35 H LEU 35 -1.147 -3.735 9.043 278 HA LEU 35 HA LEU 35 0.627 -2.769 7.085 279 HB2 LEU 35 HB2 LEU 35 -1.301 -4.181 6.565 280 HB3 LEU 35 HB3 LEU 35 -2.391 -2.912 7.087 281 HG LEU 35 HG LEU 35 -1.486 -1.483 5.232 282 HD11 LEU 35 HD11 LEU 35 0.629 -2.651 4.896 283 HD12 LEU 35 HD12 LEU 35 -0.312 -2.587 3.405 284 HD13 LEU 35 HD13 LEU 35 -0.242 -4.081 4.341 285 HD21 LEU 35 HD21 LEU 35 -3.622 -2.608 5.031 286 HD22 LEU 35 HD22 LEU 35 -2.822 -4.080 4.484 287 HD23 LEU 35 HD23 LEU 35 -2.776 -2.627 3.484 288 H GLU 36 H GLU 36 -2.095 -1.224 8.749 289 HA GLU 36 HA GLU 36 -2.190 1.191 7.432 290 HB2 GLU 36 HB2 GLU 36 -3.883 0.515 9.010 291 HB3 GLU 36 HB3 GLU 36 -2.728 0.551 10.334 292 HG2 GLU 36 HG2 GLU 36 -2.495 3.001 9.974 293 HG3 GLU 36 HG3 GLU 36 -3.801 2.899 8.793 294 H LEU 37 H LEU 37 -0.251 0.407 10.315 295 HA LEU 37 HA LEU 37 0.774 3.034 10.609 296 HB2 LEU 37 HB2 LEU 37 1.388 0.378 11.799 297 HB3 LEU 37 HB3 LEU 37 2.560 1.666 11.996 298 HG LEU 37 HG LEU 37 1.111 1.526 13.936 299 HD11 LEU 37 HD11 LEU 37 0.575 3.971 12.266 300 HD12 LEU 37 HD12 LEU 37 1.951 3.707 13.337 301 HD13 LEU 37 HD13 LEU 37 0.327 3.849 14.010 302 HD21 LEU 37 HD21 LEU 37 -1.158 2.056 12.024 303 HD22 LEU 37 HD22 LEU 37 -1.280 2.033 13.783 304 HD23 LEU 37 HD23 LEU 37 -0.864 0.558 12.910 305 H TYR 38 H TYR 38 1.661 0.498 8.487 306 HA TYR 38 HA TYR 38 4.272 1.781 8.065 307 HB2 TYR 38 HB2 TYR 38 3.399 -1.049 7.883 308 HB3 TYR 38 HB3 TYR 38 4.654 -0.508 6.768 309 HD1 TYR 38 HD2 TYR 38 3.813 -1.099 10.299 310 HD2 TYR 38 HD1 TYR 38 6.827 0.151 7.569 311 HE1 TYR 38 HE2 TYR 38 5.503 -1.296 12.081 312 HE2 TYR 38 HE1 TYR 38 8.518 -0.034 9.337 313 HH TYR 38 HH TYR 38 8.626 0.030 11.777 314 H ILE 39 H ILE 39 1.280 0.997 6.474 315 HA ILE 39 HA ILE 39 2.417 1.764 3.899 316 HB ILE 39 HB ILE 39 0.768 -0.135 4.069 317 HG12 ILE 39 HG12 ILE 39 -0.493 0.535 2.035 318 HG13 ILE 39 HG13 ILE 39 0.054 2.193 2.273 319 HG21 ILE 39 HG21 ILE 39 -1.202 2.099 4.528 320 HG22 ILE 39 HG22 ILE 39 -0.777 0.826 5.672 321 HG23 ILE 39 HG23 ILE 39 -1.618 0.421 4.175 322 HD11 ILE 39 HD11 ILE 39 1.367 1.053 0.575 323 HD12 ILE 39 HD12 ILE 39 1.820 -0.188 1.743 324 HD13 ILE 39 HD13 ILE 39 2.364 1.474 1.966 325 H PHE 40 H PHE 40 0.693 3.139 6.543 326 HA PHE 40 HA PHE 40 0.431 5.629 4.983 327 HB2 PHE 40 HB2 PHE 40 -1.321 4.763 7.294 328 HB3 PHE 40 HB3 PHE 40 -1.465 6.267 6.399 329 HD1 PHE 40 HD2 PHE 40 -1.564 5.727 3.691 330 HD2 PHE 40 HD1 PHE 40 -2.949 3.249 6.863 331 HE1 PHE 40 HE2 PHE 40 -3.146 4.639 2.151 332 HE2 PHE 40 HE1 PHE 40 -4.530 2.157 5.331 333 HZ PHE 40 HZ PHE 40 -4.631 2.853 2.969 334 HA PRO 41 HA PRO 41 2.824 6.705 8.801 335 HB2 PRO 41 HB2 PRO 41 5.408 6.184 8.170 336 HB3 PRO 41 HB3 PRO 41 4.333 4.979 8.886 337 HG2 PRO 41 HG2 PRO 41 5.436 5.083 6.188 338 HG3 PRO 41 HG3 PRO 41 4.615 3.747 7.008 339 HD2 PRO 41 HD2 PRO 41 3.541 5.682 5.095 340 HD3 PRO 41 HD3 PRO 41 2.826 4.163 5.674 341 H HIS 42 H HIS 42 4.741 7.034 5.794 342 HA HIS 42 HA HIS 42 4.836 9.932 6.266 343 HB2 HIS 42 HB2 HIS 42 6.953 8.408 5.965 344 HB3 HIS 42 HB3 HIS 42 6.562 8.534 4.252 345 HD1 HIS 42 HD1 HIS 42 6.870 10.868 3.130 346 HD2 HIS 42 HD2 HIS 42 7.928 10.719 7.154 347 HE1 HIS 42 HE1 HIS 42 8.182 12.971 3.570 348 HE2 HIS 42 HE2 HIS 42 8.888 12.819 5.990 349 H ILE 43 H ILE 43 4.161 7.468 3.855 350 HA ILE 43 HA ILE 43 3.443 9.467 1.864 351 HB ILE 43 HB ILE 43 3.276 7.622 0.300 352 HG12 ILE 43 HG12 ILE 43 3.852 5.797 2.651 353 HG13 ILE 43 HG13 ILE 43 2.276 5.983 1.889 354 HG21 ILE 43 HG21 ILE 43 5.486 8.530 0.738 355 HG22 ILE 43 HG22 ILE 43 5.586 6.800 0.406 356 HG23 ILE 43 HG23 ILE 43 5.713 7.388 2.063 357 HD11 ILE 43 HD11 ILE 43 4.764 4.937 0.558 358 HD12 ILE 43 HD12 ILE 43 3.183 5.115 -0.200 359 HD13 ILE 43 HD13 ILE 43 3.402 3.972 1.125 360 H GLY 44 H GLY 44 1.909 7.805 4.318 361 HA2 GLY 44 HA2 GLY 44 -0.555 7.261 2.883 362 HA3 GLY 44 HA3 GLY 44 -0.227 6.889 4.565 363 H SER 45 H SER 45 0.490 10.072 3.499 364 HA SER 45 HA SER 45 -1.690 11.131 5.092 365 HB2 SER 45 HB2 SER 45 -0.531 13.344 4.449 366 HB3 SER 45 HB3 SER 45 0.345 12.234 5.504 367 HG SER 45 HG SER 45 1.814 12.697 3.994 368 H SER 46 H SER 46 -1.439 10.045 2.058 369 HA SER 46 HA SER 46 -3.229 12.095 0.937 370 HB2 SER 46 HB2 SER 46 -1.446 10.154 -0.552 371 HB3 SER 46 HB3 SER 46 -2.430 11.426 -1.271 372 HG SER 46 HG SER 46 -0.363 11.895 0.619 373 H ASP 47 H ASP 47 -4.677 11.094 -0.843 374 HA ASP 47 HA ASP 47 -5.931 8.691 0.276 375 HB2 ASP 47 HB2 ASP 47 -7.341 10.726 -0.031 376 HB3 ASP 47 HB3 ASP 47 -7.016 10.662 -1.758 377 H ILE 48 H ILE 48 -6.732 7.059 -1.286 378 HA ILE 48 HA ILE 48 -4.638 6.233 -3.003 379 HB ILE 48 HB ILE 48 -6.098 4.621 -1.861 380 HG12 ILE 48 HG12 ILE 48 -6.285 4.416 -4.877 381 HG13 ILE 48 HG13 ILE 48 -4.901 3.933 -3.904 382 HG21 ILE 48 HG21 ILE 48 -8.198 5.813 -1.969 383 HG22 ILE 48 HG22 ILE 48 -8.381 4.208 -2.675 384 HG23 ILE 48 HG23 ILE 48 -8.246 5.621 -3.721 385 HD11 ILE 48 HD11 ILE 48 -6.244 2.215 -2.827 386 HD12 ILE 48 HD12 ILE 48 -6.242 2.021 -4.579 387 HD13 ILE 48 HD13 ILE 48 -7.647 2.715 -3.772 388 H ARG 49 H ARG 49 -7.519 8.117 -3.488 389 HA ARG 49 HA ARG 49 -7.684 7.809 -6.321 390 HB2 ARG 49 HB2 ARG 49 -9.577 8.524 -4.905 391 HB3 ARG 49 HB3 ARG 49 -8.735 10.024 -4.553 392 HG2 ARG 49 HG2 ARG 49 -8.813 10.602 -6.947 393 HG3 ARG 49 HG3 ARG 49 -9.727 9.124 -7.251 394 HD2 ARG 49 HD2 ARG 49 -11.251 10.988 -7.083 395 HD3 ARG 49 HD3 ARG 49 -11.472 9.918 -5.699 396 HE ARG 49 HE ARG 49 -10.080 12.526 -5.627 397 HH11 ARG 49 HH11 ARG 49 -11.781 9.921 -4.019 398 HH12 ARG 49 HH12 ARG 49 -11.905 10.758 -2.506 399 HH21 ARG 49 HH21 ARG 49 -10.319 13.666 -3.642 400 HH22 ARG 49 HH22 ARG 49 -11.121 12.889 -2.305 401 H GLN 50 H GLN 50 -5.656 9.648 -4.247 402 HA GLN 50 HA GLN 50 -4.588 11.071 -6.579 403 HB2 GLN 50 HB2 GLN 50 -6.083 12.490 -4.994 404 HB3 GLN 50 HB3 GLN 50 -4.711 12.412 -3.897 405 HG2 GLN 50 HG2 GLN 50 -4.466 14.419 -5.062 406 HG3 GLN 50 HG3 GLN 50 -3.312 13.312 -5.800 407 HE21 GLN 50 HE21 GLN 50 -3.686 12.552 -7.896 408 HE22 GLN 50 HE22 GLN 50 -4.849 13.296 -8.939 409 H LEU 51 H LEU 51 -3.158 9.180 -6.385 410 HA LEU 51 HA LEU 51 -1.282 9.281 -4.142 411 HB2 LEU 51 HB2 LEU 51 -2.323 7.114 -4.789 412 HB3 LEU 51 HB3 LEU 51 -1.529 7.232 -6.347 413 HG LEU 51 HG LEU 51 0.671 7.167 -5.196 414 HD11 LEU 51 HD11 LEU 51 0.764 6.488 -2.851 415 HD12 LEU 51 HD12 LEU 51 -0.991 6.616 -2.743 416 HD13 LEU 51 HD13 LEU 51 -0.019 8.059 -3.036 417 HD21 LEU 51 HD21 LEU 51 -1.168 4.857 -4.585 418 HD22 LEU 51 HD22 LEU 51 0.592 4.790 -4.631 419 HD23 LEU 51 HD23 LEU 51 -0.317 5.128 -6.104 420 H LYS 52 H LYS 52 0.979 9.351 -4.494 421 HA LYS 52 HA LYS 52 1.663 10.963 -6.830 422 HB2 LYS 52 HB2 LYS 52 3.132 10.470 -4.234 423 HB3 LYS 52 HB3 LYS 52 3.792 11.410 -5.564 424 HG2 LYS 52 HG2 LYS 52 2.933 12.961 -4.010 425 HG3 LYS 52 HG3 LYS 52 1.779 12.914 -5.342 426 HD2 LYS 52 HD2 LYS 52 0.337 11.429 -4.056 427 HD3 LYS 52 HD3 LYS 52 1.504 11.427 -2.735 428 HE2 LYS 52 HE2 LYS 52 -0.337 12.952 -2.271 429 HE3 LYS 52 HE3 LYS 52 1.185 13.825 -2.434 430 HZ1 LYS 52 HZ1 LYS 52 -0.894 14.744 -3.593 431 HZ2 LYS 52 HZ2 LYS 52 -0.622 13.535 -4.754 432 HZ3 LYS 52 HZ3 LYS 52 0.562 14.712 -4.461 433 H THR 53 H THR 53 3.974 10.626 -7.630 434 HA THR 53 HA THR 53 4.165 7.928 -8.596 435 HB THR 53 HB THR 53 6.333 9.899 -9.133 436 HG1 THR 53 HG1 THR 53 4.685 10.707 -10.813 437 HG21 THR 53 HG21 THR 53 6.277 7.713 -10.252 438 HG22 THR 53 HG22 THR 53 6.079 9.029 -11.408 439 HG23 THR 53 HG23 THR 53 4.679 8.085 -10.899 440 H SER 54 H SER 54 6.969 7.689 -8.874 441 HA SER 54 HA SER 54 7.588 6.261 -6.548 442 HB2 SER 54 HB2 SER 54 9.486 7.229 -8.689 443 HB3 SER 54 HB3 SER 54 9.738 5.867 -7.596 444 HG SER 54 HG SER 54 8.867 5.510 -9.862 445 H HIS 55 H HIS 55 7.546 9.543 -6.786 446 HA HIS 55 HA HIS 55 9.829 10.391 -5.399 447 HB2 HIS 55 HB2 HIS 55 7.034 11.486 -4.990 448 HB3 HIS 55 HB3 HIS 55 8.550 12.326 -4.702 449 HD1 HIS 55 HD1 HIS 55 9.967 12.907 -6.933 450 HD2 HIS 55 HD2 HIS 55 5.996 11.787 -7.464 451 HE1 HIS 55 HE1 HIS 55 9.337 13.703 -9.238 452 HE2 HIS 55 HE2 HIS 55 6.898 13.104 -9.501 453 H LEU 56 H LEU 56 6.931 8.760 -4.378 454 HA LEU 56 HA LEU 56 7.331 9.151 -1.570 455 HB2 LEU 56 HB2 LEU 56 5.480 7.601 -1.281 456 HB3 LEU 56 HB3 LEU 56 5.102 8.826 -2.472 457 HG LEU 56 HG LEU 56 5.833 6.988 -4.190 458 HD11 LEU 56 HD11 LEU 56 5.301 4.723 -3.451 459 HD12 LEU 56 HD12 LEU 56 5.077 5.310 -1.803 460 HD13 LEU 56 HD13 LEU 56 6.669 5.388 -2.557 461 HD21 LEU 56 HD21 LEU 56 3.228 6.870 -2.678 462 HD22 LEU 56 HD22 LEU 56 3.519 6.201 -4.284 463 HD23 LEU 56 HD23 LEU 56 3.605 7.945 -4.026 464 H LEU 57 H LEU 57 8.733 7.098 -3.860 465 HA LEU 57 HA LEU 57 9.176 4.792 -2.272 466 HB2 LEU 57 HB2 LEU 57 9.356 4.774 -4.716 467 HB3 LEU 57 HB3 LEU 57 10.746 5.839 -4.627 468 HG LEU 57 HG LEU 57 11.989 4.064 -3.416 469 HD11 LEU 57 HD11 LEU 57 10.105 2.884 -2.441 470 HD12 LEU 57 HD12 LEU 57 11.079 1.787 -3.422 471 HD13 LEU 57 HD13 LEU 57 9.551 2.408 -4.046 472 HD21 LEU 57 HD21 LEU 57 10.850 3.229 -6.083 473 HD22 LEU 57 HD22 LEU 57 12.347 2.638 -5.364 474 HD23 LEU 57 HD23 LEU 57 12.206 4.329 -5.841 475 H ALA 58 H ALA 58 10.705 7.893 -2.419 476 HA ALA 58 HA ALA 58 13.211 7.191 -1.335 477 HB1 ALA 58 HB1 ALA 58 11.760 9.826 -1.132 478 HB2 ALA 58 HB2 ALA 58 12.829 9.328 -2.444 479 HB3 ALA 58 HB3 ALA 58 13.476 9.558 -0.820 480 HA PRO 59 HA PRO 59 11.111 8.196 3.066 481 HB2 PRO 59 HB2 PRO 59 8.369 7.476 2.132 482 HB3 PRO 59 HB3 PRO 59 8.875 8.576 3.412 483 HG2 PRO 59 HG2 PRO 59 8.057 9.553 1.099 484 HG3 PRO 59 HG3 PRO 59 9.469 10.260 1.908 485 HD2 PRO 59 HD2 PRO 59 9.355 8.411 -0.435 486 HD3 PRO 59 HD3 PRO 59 10.447 9.777 -0.128 487 H ILE 60 H ILE 60 9.830 5.813 0.776 488 HA ILE 60 HA ILE 60 9.586 3.708 2.676 489 HB ILE 60 HB ILE 60 9.906 3.541 -0.332 490 HG12 ILE 60 HG12 ILE 60 7.941 4.843 0.289 491 HG13 ILE 60 HG13 ILE 60 7.450 3.280 -0.349 492 HG21 ILE 60 HG21 ILE 60 8.902 1.315 -0.127 493 HG22 ILE 60 HG22 ILE 60 8.914 1.477 1.629 494 HG23 ILE 60 HG23 ILE 60 10.436 1.424 0.740 495 HD11 ILE 60 HD11 ILE 60 6.109 3.913 1.571 496 HD12 ILE 60 HD12 ILE 60 7.563 4.033 2.562 497 HD13 ILE 60 HD13 ILE 60 7.064 2.471 1.915 498 H LYS 61 H LYS 61 12.143 4.938 0.662 499 HA LYS 61 HA LYS 61 13.948 2.741 1.007 500 HB2 LYS 61 HB2 LYS 61 13.963 4.703 -0.757 501 HB3 LYS 61 HB3 LYS 61 14.927 5.516 0.467 502 HG2 LYS 61 HG2 LYS 61 16.362 4.432 -1.142 503 HG3 LYS 61 HG3 LYS 61 16.522 3.651 0.436 504 HD2 LYS 61 HD2 LYS 61 15.167 1.816 -0.246 505 HD3 LYS 61 HD3 LYS 61 14.677 2.649 -1.720 506 HE2 LYS 61 HE2 LYS 61 16.287 1.022 -2.351 507 HE3 LYS 61 HE3 LYS 61 17.093 2.587 -2.432 508 HZ1 LYS 61 HZ1 LYS 61 18.517 0.965 -1.408 509 HZ2 LYS 61 HZ2 LYS 61 17.341 0.585 -0.249 510 HZ3 LYS 61 HZ3 LYS 61 18.072 2.117 -0.244 511 H GLU 62 H GLU 62 13.093 5.550 2.785 512 HA GLU 62 HA GLU 62 15.240 5.686 4.592 513 HB2 GLU 62 HB2 GLU 62 13.493 7.422 4.361 514 HB3 GLU 62 HB3 GLU 62 12.323 6.325 5.077 515 HG2 GLU 62 HG2 GLU 62 13.500 6.357 7.173 516 HG3 GLU 62 HG3 GLU 62 14.793 7.332 6.470 517 H VAL 63 H VAL 63 12.306 3.729 4.530 518 HA VAL 63 HA VAL 63 12.756 2.418 7.025 519 HB VAL 63 HB VAL 63 11.154 1.427 4.655 520 HG11 VAL 63 HG11 VAL 63 10.975 0.709 7.578 521 HG12 VAL 63 HG12 VAL 63 11.649 -0.306 6.304 522 HG13 VAL 63 HG13 VAL 63 9.932 0.101 6.291 523 HG21 VAL 63 HG21 VAL 63 10.299 3.129 6.991 524 HG22 VAL 63 HG22 VAL 63 9.208 2.405 5.810 525 HG23 VAL 63 HG23 VAL 63 10.380 3.622 5.300 526 H ASP 64 H ASP 64 13.540 1.729 3.661 527 HA ASP 64 HA ASP 64 14.825 -0.719 3.869 528 HB2 ASP 64 HB2 ASP 64 14.514 0.295 1.713 529 HB3 ASP 64 HB3 ASP 64 15.435 1.715 2.177 530 H THR 65 H THR 65 16.160 2.523 4.307 531 HA THR 65 HA THR 65 18.773 1.802 4.966 532 HB THR 65 HB THR 65 17.272 4.252 5.916 533 HG1 THR 65 HG1 THR 65 17.072 4.226 3.709 534 HG21 THR 65 HG21 THR 65 19.455 3.945 6.990 535 HG22 THR 65 HG22 THR 65 19.478 5.321 5.885 536 HG23 THR 65 HG23 THR 65 20.214 3.793 5.405 537 H SER 66 H SER 66 15.874 1.945 6.937 538 HA SER 66 HA SER 66 17.168 1.837 9.465 539 HB2 SER 66 HB2 SER 66 14.390 0.891 8.725 540 HB3 SER 66 HB3 SER 66 14.970 1.272 10.346 541 HG SER 66 HG SER 66 15.491 3.416 9.054 542 H GLY 67 H GLY 67 16.713 -0.464 7.000 543 HA2 GLY 67 HA2 GLY 67 18.074 -2.500 7.281 544 HA3 GLY 67 HA3 GLY 67 17.371 -2.640 8.885 545 H LYS 68 H LYS 68 14.791 -1.629 7.427 546 HA LYS 68 HA LYS 68 13.852 -4.348 6.929 547 HB2 LYS 68 HB2 LYS 68 12.452 -1.763 7.517 548 HB3 LYS 68 HB3 LYS 68 11.586 -3.201 6.999 549 HG2 LYS 68 HG2 LYS 68 13.407 -3.179 9.380 550 HG3 LYS 68 HG3 LYS 68 11.703 -2.780 9.460 551 HD2 LYS 68 HD2 LYS 68 11.718 -5.044 9.998 552 HD3 LYS 68 HD3 LYS 68 11.334 -5.045 8.278 553 HE2 LYS 68 HE2 LYS 68 13.847 -5.313 7.898 554 HE3 LYS 68 HE3 LYS 68 13.949 -5.691 9.616 555 HZ1 LYS 68 HZ1 LYS 68 12.286 -7.484 9.188 556 HZ2 LYS 68 HZ2 LYS 68 13.781 -7.721 8.432 557 HZ3 LYS 68 HZ3 LYS 68 12.456 -7.181 7.527 558 H HIS 69 H HIS 69 15.399 -3.444 4.980 559 HA HIS 69 HA HIS 69 14.076 -2.259 2.789 560 HB2 HIS 69 HB2 HIS 69 15.875 -3.352 1.386 561 HB3 HIS 69 HB3 HIS 69 16.451 -2.311 2.679 562 HD1 HIS 69 HD1 HIS 69 18.483 -3.250 3.674 563 HD2 HIS 69 HD2 HIS 69 15.812 -6.248 2.562 564 HE1 HIS 69 HE1 HIS 69 19.575 -5.422 4.334 565 HE2 HIS 69 HE2 HIS 69 17.921 -7.218 3.708 566 H ASP 70 H ASP 70 13.880 -5.380 4.151 567 HA ASP 70 HA ASP 70 12.924 -6.756 1.827 568 HB2 ASP 70 HB2 ASP 70 12.318 -8.544 3.437 569 HB3 ASP 70 HB3 ASP 70 13.982 -8.006 3.636 570 H VAL 71 H VAL 71 11.449 -5.258 4.674 571 HA VAL 71 HA VAL 71 8.764 -5.840 3.905 572 HB VAL 71 HB VAL 71 9.776 -3.731 5.826 573 HG11 VAL 71 HG11 VAL 71 7.482 -3.316 5.116 574 HG12 VAL 71 HG12 VAL 71 7.533 -3.830 6.800 575 HG13 VAL 71 HG13 VAL 71 7.037 -4.967 5.546 576 HG21 VAL 71 HG21 VAL 71 8.897 -6.575 6.321 577 HG22 VAL 71 HG22 VAL 71 9.261 -5.387 7.573 578 HG23 VAL 71 HG23 VAL 71 10.534 -5.935 6.482 579 H ALA 72 H ALA 72 10.933 -3.104 3.486 580 HA ALA 72 HA ALA 72 9.189 -1.162 2.581 581 HB1 ALA 72 HB1 ALA 72 11.567 -0.784 3.047 582 HB2 ALA 72 HB2 ALA 72 11.102 -0.160 1.463 583 HB3 ALA 72 HB3 ALA 72 11.990 -1.679 1.587 584 H GLN 73 H GLN 73 10.942 -3.551 0.600 585 HA GLN 73 HA GLN 73 9.776 -2.857 -1.858 586 HB2 GLN 73 HB2 GLN 73 11.773 -4.424 -1.333 587 HB3 GLN 73 HB3 GLN 73 10.551 -5.676 -1.199 588 HG2 GLN 73 HG2 GLN 73 9.971 -5.558 -3.417 589 HG3 GLN 73 HG3 GLN 73 10.595 -3.922 -3.595 590 HE21 GLN 73 HE21 GLN 73 12.775 -3.612 -3.951 591 HE22 GLN 73 HE22 GLN 73 13.824 -4.894 -4.430 592 H ARG 74 H ARG 74 8.908 -5.278 0.513 593 HA ARG 74 HA ARG 74 6.784 -6.490 -0.806 594 HB2 ARG 74 HB2 ARG 74 7.975 -6.922 1.549 595 HB3 ARG 74 HB3 ARG 74 6.533 -6.098 2.126 596 HG2 ARG 74 HG2 ARG 74 6.250 -8.517 2.134 597 HG3 ARG 74 HG3 ARG 74 5.129 -7.742 1.014 598 HD2 ARG 74 HD2 ARG 74 6.524 -8.324 -0.863 599 HD3 ARG 74 HD3 ARG 74 7.760 -8.973 0.211 600 HE ARG 74 HE ARG 74 5.615 -10.473 0.837 601 HH11 ARG 74 HH11 ARG 74 7.081 -9.614 -2.227 602 HH12 ARG 74 HH12 ARG 74 6.650 -11.106 -3.004 603 HH21 ARG 74 HH21 ARG 74 5.030 -12.445 -0.198 604 HH22 ARG 74 HH22 ARG 74 5.481 -12.713 -1.855 605 H LEU 75 H LEU 75 6.876 -3.488 1.021 606 HA LEU 75 HA LEU 75 4.054 -3.049 0.969 607 HB2 LEU 75 HB2 LEU 75 6.348 -1.137 1.388 608 HB3 LEU 75 HB3 LEU 75 4.658 -0.720 1.597 609 HG LEU 75 HG LEU 75 6.150 -2.795 3.204 610 HD11 LEU 75 HD11 LEU 75 5.936 -1.191 5.046 611 HD12 LEU 75 HD12 LEU 75 5.245 -0.013 3.930 612 HD13 LEU 75 HD13 LEU 75 6.912 -0.552 3.724 613 HD21 LEU 75 HD21 LEU 75 3.357 -1.701 3.515 614 HD22 LEU 75 HD22 LEU 75 4.156 -2.827 4.612 615 HD23 LEU 75 HD23 LEU 75 3.780 -3.322 2.962 616 H GLN 76 H GLN 76 6.774 -1.787 -0.969 617 HA GLN 76 HA GLN 76 5.175 -0.047 -2.523 618 HB2 GLN 76 HB2 GLN 76 7.112 0.168 -3.986 619 HB3 GLN 76 HB3 GLN 76 7.581 0.290 -2.301 620 HG2 GLN 76 HG2 GLN 76 8.355 -2.038 -2.384 621 HG3 GLN 76 HG3 GLN 76 7.922 -2.106 -4.092 622 HE21 GLN 76 HE21 GLN 76 9.133 -0.895 -5.576 623 HE22 GLN 76 HE22 GLN 76 10.713 -0.315 -5.195 624 H GLN 77 H GLN 77 6.297 -3.345 -3.101 625 HA GLN 77 HA GLN 77 5.286 -3.549 -5.742 626 HB2 GLN 77 HB2 GLN 77 5.679 -5.908 -5.571 627 HB3 GLN 77 HB3 GLN 77 6.989 -5.092 -4.730 628 HG2 GLN 77 HG2 GLN 77 6.068 -5.627 -2.607 629 HG3 GLN 77 HG3 GLN 77 4.572 -6.207 -3.336 630 HE21 GLN 77 HE21 GLN 77 4.559 -8.176 -4.413 631 HE22 GLN 77 HE22 GLN 77 5.788 -9.367 -4.151 632 H ARG 78 H ARG 78 3.784 -3.581 -2.687 633 HA ARG 78 HA ARG 78 1.496 -5.152 -3.459 634 HB2 ARG 78 HB2 ARG 78 2.370 -5.072 -1.132 635 HB3 ARG 78 HB3 ARG 78 1.883 -3.386 -1.040 636 HG2 ARG 78 HG2 ARG 78 -0.441 -4.018 -1.318 637 HG3 ARG 78 HG3 ARG 78 0.026 -5.715 -1.487 638 HD2 ARG 78 HD2 ARG 78 0.378 -3.966 0.947 639 HD3 ARG 78 HD3 ARG 78 -0.727 -5.329 0.769 640 HE ARG 78 HE ARG 78 2.063 -5.965 0.376 641 HH11 ARG 78 HH11 ARG 78 -0.549 -5.739 2.693 642 HH12 ARG 78 HH12 ARG 78 0.167 -6.864 3.811 643 HH21 ARG 78 HH21 ARG 78 3.017 -7.424 1.846 644 HH22 ARG 78 HH22 ARG 78 2.221 -7.792 3.345 645 H VAL 79 H VAL 79 2.132 -1.721 -2.769 646 HA VAL 79 HA VAL 79 -0.499 -0.847 -3.246 647 HB VAL 79 HB VAL 79 1.128 0.512 -2.006 648 HG11 VAL 79 HG11 VAL 79 2.431 0.961 -4.685 649 HG12 VAL 79 HG12 VAL 79 3.132 0.122 -3.300 650 HG13 VAL 79 HG13 VAL 79 2.802 1.852 -3.210 651 HG21 VAL 79 HG21 VAL 79 0.549 2.695 -2.982 652 HG22 VAL 79 HG22 VAL 79 -0.836 1.606 -2.912 653 HG23 VAL 79 HG23 VAL 79 -0.004 1.878 -4.443 654 H THR 80 H THR 80 2.215 -1.386 -5.411 655 HA THR 80 HA THR 80 1.146 -0.054 -7.658 656 HB THR 80 HB THR 80 2.661 -1.622 -8.970 657 HG1 THR 80 HG1 THR 80 2.776 -3.353 -7.514 658 HG21 THR 80 HG21 THR 80 4.701 -0.533 -8.197 659 HG22 THR 80 HG22 THR 80 3.897 -0.062 -6.700 660 HG23 THR 80 HG23 THR 80 3.362 0.613 -8.240 661 H ALA 81 H ALA 81 0.630 -3.240 -6.309 662 HA ALA 81 HA ALA 81 -0.841 -4.222 -8.587 663 HB1 ALA 81 HB1 ALA 81 0.391 -5.773 -7.161 664 HB2 ALA 81 HB2 ALA 81 -1.330 -6.157 -7.166 665 HB3 ALA 81 HB3 ALA 81 -0.616 -5.323 -5.785 666 H ILE 82 H ILE 82 -1.566 -2.856 -5.419 667 HA ILE 82 HA ILE 82 -4.345 -3.233 -5.407 668 HB ILE 82 HB ILE 82 -2.746 -0.978 -4.170 669 HG12 ILE 82 HG12 ILE 82 -3.742 -3.559 -2.943 670 HG13 ILE 82 HG13 ILE 82 -2.088 -3.280 -3.471 671 HG21 ILE 82 HG21 ILE 82 -4.655 -0.703 -2.657 672 HG22 ILE 82 HG22 ILE 82 -5.545 -1.928 -3.562 673 HG23 ILE 82 HG23 ILE 82 -5.107 -0.407 -4.336 674 HD11 ILE 82 HD11 ILE 82 -1.865 -1.494 -1.830 675 HD12 ILE 82 HD12 ILE 82 -2.309 -3.023 -1.070 676 HD13 ILE 82 HD13 ILE 82 -3.526 -1.768 -1.304 677 H MET 83 H MET 83 -2.426 -0.426 -6.466 678 HA MET 83 HA MET 83 -4.695 1.017 -7.386 679 HB2 MET 83 HB2 MET 83 -2.325 1.889 -6.725 680 HB3 MET 83 HB3 MET 83 -1.927 1.545 -8.405 681 HG2 MET 83 HG2 MET 83 -3.788 2.998 -9.109 682 HG3 MET 83 HG3 MET 83 -4.085 3.395 -7.418 683 HE1 MET 83 HE1 MET 83 -3.816 5.763 -9.235 684 HE2 MET 83 HE2 MET 83 -2.595 6.761 -8.445 685 HE3 MET 83 HE3 MET 83 -3.812 5.921 -7.480 686 H ARG 84 H ARG 84 -2.636 -1.389 -8.781 687 HA ARG 84 HA ARG 84 -3.041 -0.908 -11.511 688 HB2 ARG 84 HB2 ARG 84 -1.441 -2.561 -10.465 689 HB3 ARG 84 HB3 ARG 84 -2.816 -3.625 -10.208 690 HG2 ARG 84 HG2 ARG 84 -1.597 -4.274 -12.186 691 HG3 ARG 84 HG3 ARG 84 -3.203 -3.690 -12.628 692 HD2 ARG 84 HD2 ARG 84 -1.333 -2.876 -14.092 693 HD3 ARG 84 HD3 ARG 84 -2.329 -1.608 -13.375 694 HE ARG 84 HE ARG 84 -0.546 -1.084 -11.904 695 HH11 ARG 84 HH11 ARG 84 0.295 -3.544 -14.240 696 HH12 ARG 84 HH12 ARG 84 2.007 -3.274 -14.107 697 HH21 ARG 84 HH21 ARG 84 1.701 -0.744 -11.684 698 HH22 ARG 84 HH22 ARG 84 2.813 -1.712 -12.613 699 H TYR 85 H TYR 85 -4.895 -2.875 -9.211 700 HA TYR 85 HA TYR 85 -6.897 -3.649 -11.075 701 HB2 TYR 85 HB2 TYR 85 -6.402 -4.807 -8.890 702 HB3 TYR 85 HB3 TYR 85 -7.172 -3.454 -8.068 703 HD1 TYR 85 HD1 TYR 85 -7.744 -6.325 -10.308 704 HD2 TYR 85 HD2 TYR 85 -9.559 -3.248 -7.995 705 HE1 TYR 85 HE1 TYR 85 -9.928 -7.428 -10.562 706 HE2 TYR 85 HE2 TYR 85 -11.743 -4.344 -8.242 707 HH TYR 85 HH TYR 85 -12.088 -7.516 -9.430 708 H ALA 86 H ALA 86 -6.400 -0.895 -9.022 709 HA ALA 86 HA ALA 86 -9.003 0.199 -9.111 710 HB1 ALA 86 HB1 ALA 86 -7.305 0.871 -7.476 711 HB2 ALA 86 HB2 ALA 86 -7.958 2.255 -8.352 712 HB3 ALA 86 HB3 ALA 86 -6.366 1.622 -8.767 713 H VAL 87 H VAL 87 -6.420 0.132 -11.420 714 HA VAL 87 HA VAL 87 -7.338 2.293 -13.046 715 HB VAL 87 HB VAL 87 -5.651 -0.087 -13.863 716 HG11 VAL 87 HG11 VAL 87 -6.589 1.132 -15.759 717 HG12 VAL 87 HG12 VAL 87 -4.842 1.352 -15.654 718 HG13 VAL 87 HG13 VAL 87 -5.925 2.639 -15.123 719 HG21 VAL 87 HG21 VAL 87 -4.795 2.616 -12.837 720 HG22 VAL 87 HG22 VAL 87 -3.722 1.364 -13.458 721 HG23 VAL 87 HG23 VAL 87 -4.646 1.082 -11.984 722 H GLN 88 H GLN 88 -8.296 -0.984 -12.593 723 HA GLN 88 HA GLN 88 -9.385 -1.478 -15.161 724 HB2 GLN 88 HB2 GLN 88 -8.775 -3.257 -13.550 725 HB3 GLN 88 HB3 GLN 88 -10.109 -2.759 -12.521 726 HG2 GLN 88 HG2 GLN 88 -10.755 -4.697 -13.766 727 HG3 GLN 88 HG3 GLN 88 -11.674 -3.311 -14.348 728 HE21 GLN 88 HE21 GLN 88 -11.028 -5.858 -15.631 729 HE22 GLN 88 HE22 GLN 88 -10.240 -5.445 -17.119 730 H ASN 89 H ASN 89 -10.728 -0.114 -12.196 731 HA ASN 89 HA ASN 89 -13.361 0.068 -13.398 732 HB2 ASN 89 HB2 ASN 89 -14.088 1.073 -11.295 733 HB3 ASN 89 HB3 ASN 89 -13.194 -0.411 -10.992 734 HD21 ASN 89 HD21 ASN 89 -11.284 -0.332 -9.899 735 HD22 ASN 89 HD22 ASN 89 -10.684 1.103 -9.149 736 H ASP 90 H ASP 90 -10.543 1.836 -13.446 737 HA ASP 90 HA ASP 90 -9.946 3.771 -14.435 738 HB2 ASP 90 HB2 ASP 90 -11.143 2.793 -16.320 739 HB3 ASP 90 HB3 ASP 90 -12.654 3.483 -15.744 740 H TYR 91 H TYR 91 -10.415 4.485 -12.020 741 HA TYR 91 HA TYR 91 -12.025 6.937 -12.300 742 HB2 TYR 91 HB2 TYR 91 -12.220 7.070 -9.936 743 HB3 TYR 91 HB3 TYR 91 -12.538 5.392 -10.349 744 HD1 TYR 91 HD2 TYR 91 -10.411 3.820 -10.248 745 HD2 TYR 91 HD1 TYR 91 -10.789 7.522 -8.193 746 HE1 TYR 91 HE2 TYR 91 -8.688 3.107 -8.656 747 HE2 TYR 91 HE1 TYR 91 -9.065 6.815 -6.586 748 HH TYR 91 HH TYR 91 -8.060 4.772 -5.744 749 H ILE 92 H ILE 92 -9.038 5.867 -12.774 750 HA ILE 92 HA ILE 92 -7.790 8.418 -12.021 751 HB ILE 92 HB ILE 92 -5.643 7.107 -11.684 752 HG12 ILE 92 HG12 ILE 92 -7.589 4.799 -11.418 753 HG13 ILE 92 HG13 ILE 92 -6.427 5.004 -12.724 754 HG21 ILE 92 HG21 ILE 92 -6.153 6.583 -9.356 755 HG22 ILE 92 HG22 ILE 92 -7.880 6.667 -9.710 756 HG23 ILE 92 HG23 ILE 92 -6.881 8.114 -9.846 757 HD11 ILE 92 HD11 ILE 92 -4.600 4.855 -11.094 758 HD12 ILE 92 HD12 ILE 92 -5.607 3.408 -11.122 759 HD13 ILE 92 HD13 ILE 92 -5.785 4.582 -9.817 760 H ASP 93 H ASP 93 -6.302 9.236 -13.470 761 HA ASP 93 HA ASP 93 -6.109 7.795 -16.037 762 HB2 ASP 93 HB2 ASP 93 -6.554 10.746 -15.555 763 HB3 ASP 93 HB3 ASP 93 -6.127 10.067 -17.123 764 H SER 94 H SER 94 -4.251 8.022 -13.698 765 HA SER 94 HA SER 94 -1.935 8.942 -15.256 766 HB2 SER 94 HB2 SER 94 -2.271 9.371 -12.280 767 HB3 SER 94 HB3 SER 94 -0.913 9.897 -13.275 768 HG SER 94 HG SER 94 -3.007 10.885 -14.446 769 H ASN 95 H ASN 95 -2.713 7.269 -12.205 770 HA ASN 95 HA ASN 95 -1.865 5.434 -11.198 771 HB2 ASN 95 HB2 ASN 95 -2.959 4.326 -13.148 772 HB3 ASN 95 HB3 ASN 95 -1.422 4.401 -14.007 773 HD21 ASN 95 HD21 ASN 95 -1.806 3.763 -10.581 774 HD22 ASN 95 HD22 ASN 95 -1.227 2.140 -10.638 775 HA PRO 96 HA PRO 96 2.508 6.767 -11.769 776 HB2 PRO 96 HB2 PRO 96 2.942 7.476 -9.212 777 HB3 PRO 96 HB3 PRO 96 2.135 8.555 -10.357 778 HG2 PRO 96 HG2 PRO 96 0.936 6.770 -8.269 779 HG3 PRO 96 HG3 PRO 96 0.532 8.451 -8.664 780 HD2 PRO 96 HD2 PRO 96 -0.908 6.324 -9.551 781 HD3 PRO 96 HD3 PRO 96 -0.766 7.843 -10.459 782 H ALA 97 H ALA 97 0.872 4.499 -9.767 783 HA ALA 97 HA ALA 97 3.258 3.291 -8.702 784 HB1 ALA 97 HB1 ALA 97 0.397 2.340 -8.595 785 HB2 ALA 97 HB2 ALA 97 1.203 3.328 -7.376 786 HB3 ALA 97 HB3 ALA 97 1.748 1.677 -7.674 787 H SER 98 H SER 98 4.263 2.908 -10.779 788 HA SER 98 HA SER 98 3.484 0.271 -11.785 789 HB2 SER 98 HB2 SER 98 4.188 2.601 -13.588 790 HB3 SER 98 HB3 SER 98 3.847 0.951 -14.112 791 HG SER 98 HG SER 98 1.873 1.921 -12.523 792 H ASP 99 H ASP 99 5.989 2.758 -12.396 793 HA ASP 99 HA ASP 99 7.979 0.623 -12.552 794 HB2 ASP 99 HB2 ASP 99 8.127 3.573 -13.216 795 HB3 ASP 99 HB3 ASP 99 9.480 2.459 -13.373 796 H MET 100 H MET 100 7.117 0.859 -9.994 797 HA MET 100 HA MET 100 8.919 2.650 -8.566 798 HB2 MET 100 HB2 MET 100 6.711 0.822 -7.627 799 HB3 MET 100 HB3 MET 100 7.727 1.752 -6.537 800 HG2 MET 100 HG2 MET 100 6.931 3.817 -7.473 801 HG3 MET 100 HG3 MET 100 6.011 2.946 -8.700 802 HE1 MET 100 HE1 MET 100 6.409 3.621 -4.847 803 HE2 MET 100 HE2 MET 100 6.377 1.858 -4.931 804 HE3 MET 100 HE3 MET 100 5.036 2.731 -4.191 805 H ALA 101 H ALA 101 8.296 -0.813 -8.918 806 HA ALA 101 HA ALA 101 10.803 -1.401 -7.502 807 HB1 ALA 101 HB1 ALA 101 10.027 -3.695 -7.423 808 HB2 ALA 101 HB2 ALA 101 8.648 -3.291 -8.444 809 HB3 ALA 101 HB3 ALA 101 8.767 -2.617 -6.819 810 H GLY 102 H GLY 102 10.555 -0.256 -10.250 811 HA2 GLY 102 HA2 GLY 102 11.161 -2.304 -12.140 812 HA3 GLY 102 HA3 GLY 102 11.333 -0.573 -12.392 813 H ALA 103 H ALA 103 12.897 -3.510 -11.648 814 HA ALA 103 HA ALA 103 15.063 -4.146 -11.509 815 HB1 ALA 103 HB1 ALA 103 15.653 -1.475 -12.775 816 HB2 ALA 103 HB2 ALA 103 15.259 -2.961 -13.642 817 HB3 ALA 103 HB3 ALA 103 16.744 -2.859 -12.694 818 H LEU 104 H LEU 104 15.094 -4.174 -9.263 819 HA LEU 104 HA LEU 104 16.553 -1.950 -8.025 820 HB2 LEU 104 HB2 LEU 104 14.043 -2.228 -7.426 821 HB3 LEU 104 HB3 LEU 104 14.565 -3.635 -6.522 822 HG LEU 104 HG LEU 104 15.694 -0.882 -6.023 823 HD11 LEU 104 HD11 LEU 104 14.146 -0.749 -4.120 824 HD12 LEU 104 HD12 LEU 104 13.351 -2.221 -4.682 825 HD13 LEU 104 HD13 LEU 104 13.306 -0.760 -5.670 826 HD21 LEU 104 HD21 LEU 104 15.599 -3.357 -4.303 827 HD22 LEU 104 HD22 LEU 104 16.333 -1.811 -3.874 828 HD23 LEU 104 HD23 LEU 104 17.012 -2.774 -5.185 829 H SER 105 H SER 105 18.512 -2.779 -7.965 830 HA SER 105 HA SER 105 20.290 -3.905 -7.117 831 HB2 SER 105 HB2 SER 105 18.810 -3.988 -5.017 832 HB3 SER 105 HB3 SER 105 18.425 -5.640 -5.497 833 HG SER 105 HG SER 105 20.917 -4.535 -4.743 834 H THR 106 H THR 106 18.307 -4.927 -9.281 835 HA THR 106 HA THR 106 18.858 -7.744 -9.416 836 HB THR 106 HB THR 106 17.800 -6.061 -11.671 837 HG1 THR 106 HG1 THR 106 16.648 -6.573 -9.202 838 HG21 THR 106 HG21 THR 106 18.288 -8.413 -12.146 839 HG22 THR 106 HG22 THR 106 16.551 -8.111 -12.205 840 HG23 THR 106 HG23 THR 106 17.263 -8.904 -10.799 841 H THR 107 H THR 107 20.755 -8.438 -10.028 842 HA THR 107 HA THR 107 22.362 -6.775 -11.846 843 HB THR 107 HB THR 107 23.434 -8.773 -9.849 844 HG1 THR 107 HG1 THR 107 22.300 -6.763 -9.041 845 HG21 THR 107 HG21 THR 107 25.559 -7.619 -10.236 846 HG22 THR 107 HG22 THR 107 24.777 -6.564 -11.413 847 HG23 THR 107 HG23 THR 107 24.924 -8.291 -11.737 848 H LYS 108 H LYS 108 22.019 -10.216 -10.894 849 HA LYS 108 HA LYS 108 23.184 -10.961 -13.452 850 HB2 LYS 108 HB2 LYS 108 22.531 -12.561 -10.983 851 HB3 LYS 108 HB3 LYS 108 23.117 -13.289 -12.477 852 HG2 LYS 108 HG2 LYS 108 24.542 -11.251 -10.779 853 HG3 LYS 108 HG3 LYS 108 24.974 -12.951 -10.998 854 HD2 LYS 108 HD2 LYS 108 25.709 -12.618 -13.167 855 HD3 LYS 108 HD3 LYS 108 24.750 -11.153 -13.379 856 HE2 LYS 108 HE2 LYS 108 27.049 -10.526 -13.228 857 HE3 LYS 108 HE3 LYS 108 26.241 -10.021 -11.748 858 HZ1 LYS 108 HZ1 LYS 108 28.402 -11.034 -11.321 859 HZ2 LYS 108 HZ2 LYS 108 27.880 -12.480 -12.043 860 HZ3 LYS 108 HZ3 LYS 108 27.150 -11.931 -10.614 861 H ALA 109 H ALA 109 21.896 -11.010 -15.083 862 HA ALA 109 HA ALA 109 19.733 -12.893 -15.179 863 HB1 ALA 109 HB1 ALA 109 19.087 -9.965 -15.561 864 HB2 ALA 109 HB2 ALA 109 18.576 -10.958 -14.197 865 HB3 ALA 109 HB3 ALA 109 17.982 -11.315 -15.818 866 H ARG 110 H ARG 110 22.217 -12.637 -16.511 867 HA ARG 110 HA ARG 110 21.348 -11.927 -19.229 868 HB2 ARG 110 HB2 ARG 110 23.961 -11.469 -17.847 869 HB3 ARG 110 HB3 ARG 110 23.909 -11.624 -19.597 870 HG2 ARG 110 HG2 ARG 110 22.368 -9.619 -17.968 871 HG3 ARG 110 HG3 ARG 110 23.834 -9.297 -18.899 872 HD2 ARG 110 HD2 ARG 110 22.720 -9.852 -20.951 873 HD3 ARG 110 HD3 ARG 110 21.279 -10.371 -20.080 874 HE ARG 110 HE ARG 110 21.874 -7.676 -19.461 875 HH11 ARG 110 HH11 ARG 110 20.634 -9.687 -22.055 876 HH12 ARG 110 HH12 ARG 110 19.643 -8.427 -22.719 877 HH21 ARG 110 HH21 ARG 110 20.576 -6.020 -20.350 878 HH22 ARG 110 HH22 ARG 110 19.629 -6.347 -21.772 879 H HIS 111 H HIS 111 24.197 -13.681 -18.002 880 HA HIS 111 HA HIS 111 23.720 -15.626 -20.141 881 HB2 HIS 111 HB2 HIS 111 25.999 -14.348 -19.517 882 HB3 HIS 111 HB3 HIS 111 26.184 -15.765 -18.486 883 HD1 HIS 111 HD1 HIS 111 26.927 -17.908 -19.598 884 HD2 HIS 111 HD2 HIS 111 25.797 -14.969 -22.320 885 HE1 HIS 111 HE1 HIS 111 27.568 -18.794 -21.863 886 HE2 HIS 111 HE2 HIS 111 26.750 -17.062 -23.509 887 H TYR 112 H TYR 112 23.211 -17.698 -19.763 888 HA TYR 112 HA TYR 112 23.233 -18.641 -16.974 889 HB2 TYR 112 HB2 TYR 112 21.030 -19.723 -17.381 890 HB3 TYR 112 HB3 TYR 112 20.951 -17.967 -17.465 891 HD1 TYR 112 HD2 TYR 112 20.646 -16.841 -19.645 892 HD2 TYR 112 HD1 TYR 112 20.567 -21.082 -19.310 893 HE1 TYR 112 HE2 TYR 112 19.598 -16.993 -21.864 894 HE2 TYR 112 HE1 TYR 112 19.526 -21.243 -21.529 895 HH TYR 112 HH TYR 112 19.437 -18.693 -23.702 896 HA PRO 113 HA PRO 113 25.227 -22.265 -18.612 897 HB2 PRO 113 HB2 PRO 113 23.826 -23.638 -16.387 898 HB3 PRO 113 HB3 PRO 113 25.551 -23.585 -16.770 899 HG2 PRO 113 HG2 PRO 113 24.548 -22.197 -14.718 900 HG3 PRO 113 HG3 PRO 113 25.855 -21.543 -15.724 901 HD2 PRO 113 HD2 PRO 113 22.944 -20.879 -15.732 902 HD3 PRO 113 HD3 PRO 113 24.350 -19.827 -15.963 903 H LEU 114 H LEU 114 24.700 -24.218 -19.582 904 HA LEU 114 HA LEU 114 22.205 -24.173 -20.936 905 HB2 LEU 114 HB2 LEU 114 24.271 -24.984 -21.978 906 HB3 LEU 114 HB3 LEU 114 24.331 -26.316 -20.840 907 HG LEU 114 HG LEU 114 22.188 -27.166 -21.794 908 HD11 LEU 114 HD11 LEU 114 21.337 -25.057 -22.678 909 HD12 LEU 114 HD12 LEU 114 21.424 -26.288 -23.937 910 HD13 LEU 114 HD13 LEU 114 22.645 -25.018 -23.860 911 HD21 LEU 114 HD21 LEU 114 23.185 -28.041 -23.840 912 HD22 LEU 114 HD22 LEU 114 24.347 -28.054 -22.514 913 HD23 LEU 114 HD23 LEU 114 24.447 -26.811 -23.762 914 H GLU 115 H GLU 115 23.600 -26.380 -18.527 915 HA GLU 115 HA GLU 115 21.103 -26.987 -17.335 916 HB2 GLU 115 HB2 GLU 115 21.190 -28.239 -19.670 917 HB3 GLU 115 HB3 GLU 115 22.199 -29.370 -18.785 918 HG2 GLU 115 HG2 GLU 115 19.426 -28.574 -17.936 919 HG3 GLU 115 HG3 GLU 115 19.786 -29.981 -18.932 920 H HIS 116 H HIS 116 21.719 -27.270 -15.283 921 HA HIS 116 HA HIS 116 24.362 -28.162 -14.585 922 HB2 HIS 116 HB2 HIS 116 21.911 -27.428 -13.009 923 HB3 HIS 116 HB3 HIS 116 23.271 -28.216 -12.219 924 HD1 HIS 116 HD1 HIS 116 22.344 -25.013 -13.984 925 HD2 HIS 116 HD2 HIS 116 25.446 -26.604 -11.716 926 HE1 HIS 116 HE1 HIS 116 23.827 -23.068 -13.402 927 HE2 HIS 116 HE2 HIS 116 25.784 -24.084 -12.176 928 H HIS 117 H HIS 117 24.790 -30.228 -15.122 929 HA HIS 117 HA HIS 117 22.758 -32.232 -15.158 930 HB2 HIS 117 HB2 HIS 117 25.750 -32.548 -15.434 931 HB3 HIS 117 HB3 HIS 117 24.542 -33.760 -15.843 932 HD1 HIS 117 HD1 HIS 117 22.580 -31.838 -17.385 933 HD2 HIS 117 HD2 HIS 117 26.703 -32.038 -17.948 934 HE1 HIS 117 HE1 HIS 117 22.992 -30.998 -19.718 935 HE2 HIS 117 HE2 HIS 117 25.500 -30.932 -19.956 936 H HIS 118 H HIS 118 25.623 -31.683 -13.117 937 HA HIS 118 HA HIS 118 24.615 -33.766 -11.299 938 HB2 HIS 118 HB2 HIS 118 27.376 -32.612 -11.687 939 HB3 HIS 118 HB3 HIS 118 26.954 -33.630 -10.314 940 HD1 HIS 118 HD1 HIS 118 27.455 -36.013 -10.644 941 HD2 HIS 118 HD2 HIS 118 26.711 -34.088 -14.255 942 HE1 HIS 118 HE1 HIS 118 27.753 -37.764 -12.424 943 HE2 HIS 118 HE2 HIS 118 27.514 -36.522 -14.605 944 H HIS 119 H HIS 119 24.592 -33.365 -9.025 945 HA HIS 119 HA HIS 119 23.840 -30.586 -8.504 946 HB2 HIS 119 HB2 HIS 119 23.224 -33.179 -7.100 947 HB3 HIS 119 HB3 HIS 119 22.855 -31.614 -6.382 948 HD1 HIS 119 HD1 HIS 119 20.737 -30.504 -7.084 949 HD2 HIS 119 HD2 HIS 119 21.780 -33.662 -9.587 950 HE1 HIS 119 HE1 HIS 119 18.769 -30.839 -8.612 951 HE2 HIS 119 HE2 HIS 119 19.496 -32.626 -10.236 952 H HIS 120 H HIS 120 26.520 -32.473 -8.063 953 HA HIS 120 HA HIS 120 28.489 -32.088 -7.007 954 HB2 HIS 120 HB2 HIS 120 28.158 -29.724 -7.483 955 HB3 HIS 120 HB3 HIS 120 27.134 -29.553 -6.062 956 HD1 HIS 120 HD1 HIS 120 28.313 -29.484 -3.744 957 HD2 HIS 120 HD2 HIS 120 30.908 -29.735 -6.987 958 HE1 HIS 120 HE1 HIS 120 30.592 -28.964 -2.829 959 HE2 HIS 120 HE2 HIS 120 32.167 -29.251 -4.776 960 H HIS 121 H HIS 121 29.148 -33.271 -5.367 961 HA HIS 121 HA HIS 121 27.497 -33.461 -2.953 962 HB2 HIS 121 HB2 HIS 121 28.141 -35.581 -3.996 963 HB3 HIS 121 HB3 HIS 121 29.841 -35.141 -3.886 964 HD1 HIS 121 HD1 HIS 121 31.000 -35.431 -1.616 965 HD2 HIS 121 HD2 HIS 121 26.949 -36.384 -1.563 966 HE1 HIS 121 HE1 HIS 121 30.613 -36.617 0.563 967 HE2 HIS 121 HE2 HIS 121 28.185 -37.281 0.536 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -16.687 -10.959 7.458 2 H2 MET 1 H2 MET 1 -14.997 -11.072 7.569 3 H3 MET 1 H3 MET 1 -15.919 -12.446 7.202 4 HA MET 1 HA MET 1 -14.723 -11.340 5.299 5 HB2 MET 1 HB2 MET 1 -16.536 -12.993 5.019 6 HB3 MET 1 HB3 MET 1 -17.721 -11.699 5.120 7 HG2 MET 1 HG2 MET 1 -16.793 -10.700 3.084 8 HG3 MET 1 HG3 MET 1 -15.627 -12.017 2.981 9 HE1 MET 1 HE1 MET 1 -18.057 -12.792 0.019 10 HE2 MET 1 HE2 MET 1 -16.378 -12.561 0.502 11 HE3 MET 1 HE3 MET 1 -17.511 -11.212 0.580 12 H GLU 2 H GLU 2 -17.910 -9.877 5.853 13 HA GLU 2 HA GLU 2 -18.689 -7.771 5.793 14 HB2 GLU 2 HB2 GLU 2 -15.796 -7.043 6.216 15 HB3 GLU 2 HB3 GLU 2 -17.095 -5.861 6.181 16 HG2 GLU 2 HG2 GLU 2 -16.811 -6.226 8.433 17 HG3 GLU 2 HG3 GLU 2 -18.142 -7.314 8.047 18 H ASN 3 H ASN 3 -19.557 -6.982 4.048 19 HA ASN 3 HA ASN 3 -17.846 -6.461 1.705 20 HB2 ASN 3 HB2 ASN 3 -19.808 -8.002 1.394 21 HB3 ASN 3 HB3 ASN 3 -20.870 -6.655 1.788 22 HD21 ASN 3 HD21 ASN 3 -18.765 -8.053 -0.565 23 HD22 ASN 3 HD22 ASN 3 -19.173 -6.999 -1.872 24 H SER 4 H SER 4 -17.706 -4.420 0.877 25 HA SER 4 HA SER 4 -19.396 -2.336 2.024 26 HB2 SER 4 HB2 SER 4 -17.273 -2.565 3.399 27 HB3 SER 4 HB3 SER 4 -16.383 -2.060 1.965 28 HG SER 4 HG SER 4 -17.706 -0.561 3.768 29 H GLY 5 H GLY 5 -19.092 -0.243 0.868 30 HA2 GLY 5 HA2 GLY 5 -18.167 -0.634 -1.902 31 HA3 GLY 5 HA3 GLY 5 -19.760 0.037 -1.578 32 H ALA 6 H ALA 6 -16.458 0.708 -1.972 33 HA ALA 6 HA ALA 6 -16.915 3.531 -1.674 34 HB1 ALA 6 HB1 ALA 6 -14.960 2.179 0.185 35 HB2 ALA 6 HB2 ALA 6 -16.501 2.892 0.656 36 HB3 ALA 6 HB3 ALA 6 -15.212 3.917 0.026 37 H TYR 7 H TYR 7 -14.584 4.609 -1.783 38 HA TYR 7 HA TYR 7 -13.197 3.353 -4.045 39 HB2 TYR 7 HB2 TYR 7 -12.324 5.700 -4.441 40 HB3 TYR 7 HB3 TYR 7 -14.056 5.495 -4.675 41 HD1 TYR 7 HD1 TYR 7 -11.467 6.942 -2.491 42 HD2 TYR 7 HD2 TYR 7 -15.640 6.571 -3.222 43 HE1 TYR 7 HE1 TYR 7 -11.902 8.766 -0.900 44 HE2 TYR 7 HE2 TYR 7 -16.084 8.393 -1.638 45 HH TYR 7 HH TYR 7 -13.583 10.394 -0.373 46 H THR 8 H THR 8 -12.971 3.493 -0.862 47 HA THR 8 HA THR 8 -10.481 4.529 -0.186 48 HB THR 8 HB THR 8 -11.864 2.172 1.109 49 HG1 THR 8 HG1 THR 8 -12.171 4.903 1.830 50 HG21 THR 8 HG21 THR 8 -10.780 2.968 3.156 51 HG22 THR 8 HG22 THR 8 -9.994 4.257 2.245 52 HG23 THR 8 HG23 THR 8 -9.584 2.573 1.922 53 H PHE 9 H PHE 9 -8.455 3.699 -0.043 54 HA PHE 9 HA PHE 9 -7.454 2.054 -1.983 55 HB2 PHE 9 HB2 PHE 9 -6.186 3.598 -0.458 56 HB3 PHE 9 HB3 PHE 9 -6.261 2.351 0.779 57 HD1 PHE 9 HD1 PHE 9 -5.038 0.215 0.450 58 HD2 PHE 9 HD2 PHE 9 -4.637 3.494 -2.234 59 HE1 PHE 9 HE1 PHE 9 -2.968 -0.769 -0.441 60 HE2 PHE 9 HE2 PHE 9 -2.571 2.512 -3.131 61 HZ PHE 9 HZ PHE 9 -1.733 0.377 -2.237 62 H GLU 10 H GLU 10 -8.629 1.064 1.188 63 HA GLU 10 HA GLU 10 -7.495 -1.485 1.274 64 HB2 GLU 10 HB2 GLU 10 -9.977 -0.377 2.555 65 HB3 GLU 10 HB3 GLU 10 -9.445 -2.030 2.824 66 HG2 GLU 10 HG2 GLU 10 -7.200 -0.927 3.502 67 HG3 GLU 10 HG3 GLU 10 -8.179 0.529 3.681 68 H THR 11 H THR 11 -10.541 -0.431 -0.230 69 HA THR 11 HA THR 11 -11.545 -3.090 -0.483 70 HB THR 11 HB THR 11 -13.036 -1.089 -0.428 71 HG1 THR 11 HG1 THR 11 -14.443 -1.933 -2.078 72 HG21 THR 11 HG21 THR 11 -13.436 0.143 -2.516 73 HG22 THR 11 HG22 THR 11 -12.078 -0.699 -3.265 74 HG23 THR 11 HG23 THR 11 -11.798 0.399 -1.913 75 H ILE 12 H ILE 12 -9.587 -1.016 -2.500 76 HA ILE 12 HA ILE 12 -9.833 -2.573 -4.873 77 HB ILE 12 HB ILE 12 -7.548 -0.749 -4.089 78 HG12 ILE 12 HG12 ILE 12 -9.700 0.437 -3.992 79 HG13 ILE 12 HG13 ILE 12 -8.723 1.006 -5.339 80 HG21 ILE 12 HG21 ILE 12 -7.182 -0.556 -6.511 81 HG22 ILE 12 HG22 ILE 12 -8.468 -1.731 -6.791 82 HG23 ILE 12 HG23 ILE 12 -6.998 -2.215 -5.944 83 HD11 ILE 12 HD11 ILE 12 -10.046 -0.371 -6.869 84 HD12 ILE 12 HD12 ILE 12 -11.044 0.790 -5.988 85 HD13 ILE 12 HD13 ILE 12 -11.038 -0.909 -5.514 86 H ALA 13 H ALA 13 -7.488 -2.440 -2.226 87 HA ALA 13 HA ALA 13 -5.736 -4.423 -3.191 88 HB1 ALA 13 HB1 ALA 13 -6.285 -3.612 -0.335 89 HB2 ALA 13 HB2 ALA 13 -5.125 -2.846 -1.421 90 HB3 ALA 13 HB3 ALA 13 -4.881 -4.515 -0.905 91 H ARG 14 H ARG 14 -8.670 -4.574 -1.258 92 HA ARG 14 HA ARG 14 -8.560 -7.240 -0.411 93 HB2 ARG 14 HB2 ARG 14 -10.505 -5.125 -0.510 94 HB3 ARG 14 HB3 ARG 14 -11.252 -6.629 -1.027 95 HG2 ARG 14 HG2 ARG 14 -11.612 -6.421 1.301 96 HG3 ARG 14 HG3 ARG 14 -10.398 -7.678 1.073 97 HD2 ARG 14 HD2 ARG 14 -8.668 -6.310 1.833 98 HD3 ARG 14 HD3 ARG 14 -9.604 -4.835 1.601 99 HE ARG 14 HE ARG 14 -10.738 -6.629 3.555 100 HH11 ARG 14 HH11 ARG 14 -8.389 -4.096 3.029 101 HH12 ARG 14 HH12 ARG 14 -8.488 -3.463 4.648 102 HH21 ARG 14 HH21 ARG 14 -10.869 -5.826 5.709 103 HH22 ARG 14 HH22 ARG 14 -9.881 -4.477 6.168 104 H GLU 15 H GLU 15 -9.741 -5.803 -3.404 105 HA GLU 15 HA GLU 15 -11.336 -7.898 -4.282 106 HB2 GLU 15 HB2 GLU 15 -11.115 -5.472 -5.136 107 HB3 GLU 15 HB3 GLU 15 -9.849 -6.107 -6.177 108 HG2 GLU 15 HG2 GLU 15 -11.981 -5.996 -7.334 109 HG3 GLU 15 HG3 GLU 15 -11.417 -7.661 -7.178 110 H TRP 16 H TRP 16 -7.968 -7.186 -5.293 111 HA TRP 16 HA TRP 16 -7.909 -9.615 -6.841 112 HB2 TRP 16 HB2 TRP 16 -5.550 -8.998 -7.328 113 HB3 TRP 16 HB3 TRP 16 -6.700 -7.723 -7.712 114 HD1 TRP 16 HD1 TRP 16 -6.553 -5.472 -6.298 115 HE1 TRP 16 HE1 TRP 16 -4.751 -4.522 -4.732 116 HE3 TRP 16 HE3 TRP 16 -3.749 -9.696 -5.628 117 HZ2 TRP 16 HZ2 TRP 16 -2.447 -5.438 -3.391 118 HZ3 TRP 16 HZ3 TRP 16 -1.760 -9.571 -4.190 119 HH2 TRP 16 HH2 TRP 16 -1.130 -7.487 -3.095 120 H HIS 17 H HIS 17 -6.603 -8.558 -3.735 121 HA HIS 17 HA HIS 17 -4.876 -10.744 -3.348 122 HB2 HIS 17 HB2 HIS 17 -4.896 -8.529 -2.075 123 HB3 HIS 17 HB3 HIS 17 -6.169 -9.240 -1.086 124 HD1 HIS 17 HD1 HIS 17 -2.529 -9.704 -1.955 125 HD2 HIS 17 HD2 HIS 17 -5.296 -11.060 0.834 126 HE1 HIS 17 HE1 HIS 17 -1.195 -10.971 -0.246 127 HE2 HIS 17 HE2 HIS 17 -2.869 -11.713 1.482 128 H GLU 18 H GLU 18 -8.300 -10.458 -2.940 129 HA GLU 18 HA GLU 18 -8.866 -12.396 -1.053 130 HB2 GLU 18 HB2 GLU 18 -10.300 -11.282 -3.396 131 HB3 GLU 18 HB3 GLU 18 -10.939 -12.762 -2.696 132 HG2 GLU 18 HG2 GLU 18 -10.427 -10.214 -1.179 133 HG3 GLU 18 HG3 GLU 18 -11.990 -10.733 -1.806 134 H SER 19 H SER 19 -7.456 -12.904 -4.129 135 HA SER 19 HA SER 19 -8.266 -15.534 -4.668 136 HB2 SER 19 HB2 SER 19 -7.013 -14.141 -6.276 137 HB3 SER 19 HB3 SER 19 -5.588 -14.236 -5.242 138 HG SER 19 HG SER 19 -6.512 -16.708 -5.716 139 H ASN 20 H ASN 20 -5.711 -14.242 -2.570 140 HA ASN 20 HA ASN 20 -5.605 -16.881 -1.302 141 HB2 ASN 20 HB2 ASN 20 -3.182 -16.699 -0.946 142 HB3 ASN 20 HB3 ASN 20 -3.577 -16.715 -2.657 143 HD21 ASN 20 HD21 ASN 20 -1.229 -15.736 -1.177 144 HD22 ASN 20 HD22 ASN 20 -1.037 -14.081 -1.659 145 H LYS 21 H LYS 21 -7.021 -16.112 0.243 146 HA LYS 21 HA LYS 21 -6.347 -13.767 1.795 147 HB2 LYS 21 HB2 LYS 21 -8.682 -14.259 1.214 148 HB3 LYS 21 HB3 LYS 21 -8.587 -15.780 2.087 149 HG2 LYS 21 HG2 LYS 21 -8.265 -14.572 4.178 150 HG3 LYS 21 HG3 LYS 21 -8.332 -13.036 3.309 151 HD2 LYS 21 HD2 LYS 21 -10.606 -13.504 2.614 152 HD3 LYS 21 HD3 LYS 21 -10.547 -15.081 3.400 153 HE2 LYS 21 HE2 LYS 21 -10.259 -14.001 5.567 154 HE3 LYS 21 HE3 LYS 21 -10.287 -12.419 4.787 155 HZ1 LYS 21 HZ1 LYS 21 -12.437 -13.055 5.775 156 HZ2 LYS 21 HZ2 LYS 21 -12.520 -14.374 4.708 157 HZ3 LYS 21 HZ3 LYS 21 -12.535 -12.790 4.099 158 H ARG 22 H ARG 22 -6.168 -13.856 4.140 159 HA ARG 22 HA ARG 22 -5.002 -16.378 5.091 160 HB2 ARG 22 HB2 ARG 22 -3.437 -14.375 4.856 161 HB3 ARG 22 HB3 ARG 22 -4.342 -13.630 6.166 162 HG2 ARG 22 HG2 ARG 22 -3.302 -16.361 6.634 163 HG3 ARG 22 HG3 ARG 22 -2.125 -15.051 6.555 164 HD2 ARG 22 HD2 ARG 22 -4.573 -14.881 8.285 165 HD3 ARG 22 HD3 ARG 22 -3.090 -15.654 8.844 166 HE ARG 22 HE ARG 22 -2.217 -13.256 7.972 167 HH11 ARG 22 HH11 ARG 22 -4.864 -14.136 10.081 168 HH12 ARG 22 HH12 ARG 22 -4.641 -12.777 11.136 169 HH21 ARG 22 HH21 ARG 22 -1.922 -11.464 9.342 170 HH22 ARG 22 HH22 ARG 22 -2.961 -11.246 10.718 171 H TRP 23 H TRP 23 -5.671 -17.133 7.054 172 HA TRP 23 HA TRP 23 -8.364 -16.432 7.698 173 HB2 TRP 23 HB2 TRP 23 -6.600 -18.419 9.130 174 HB3 TRP 23 HB3 TRP 23 -8.362 -18.400 9.054 175 HD1 TRP 23 HD1 TRP 23 -9.493 -19.184 6.720 176 HE1 TRP 23 HE1 TRP 23 -8.596 -20.661 4.814 177 HE3 TRP 23 HE3 TRP 23 -4.516 -19.053 7.872 178 HZ2 TRP 23 HZ2 TRP 23 -6.106 -21.639 3.919 179 HZ3 TRP 23 HZ3 TRP 23 -2.942 -20.284 6.438 180 HH2 TRP 23 HH2 TRP 23 -3.721 -21.550 4.504 181 H SER 24 H SER 24 -8.939 -16.564 10.153 182 HA SER 24 HA SER 24 -9.005 -15.526 12.159 183 HB2 SER 24 HB2 SER 24 -6.014 -15.187 11.778 184 HB3 SER 24 HB3 SER 24 -6.893 -14.963 13.294 185 HG SER 24 HG SER 24 -7.643 -17.275 12.702 186 H GLU 25 H GLU 25 -9.817 -14.117 10.035 187 HA GLU 25 HA GLU 25 -8.583 -11.630 9.636 188 HB2 GLU 25 HB2 GLU 25 -10.708 -10.903 8.647 189 HB3 GLU 25 HB3 GLU 25 -10.164 -12.455 8.032 190 HG2 GLU 25 HG2 GLU 25 -11.794 -13.616 9.332 191 HG3 GLU 25 HG3 GLU 25 -12.245 -12.133 10.177 192 H ASP 26 H ASP 26 -10.572 -12.760 12.221 193 HA ASP 26 HA ASP 26 -11.619 -10.468 13.344 194 HB2 ASP 26 HB2 ASP 26 -10.162 -12.643 14.869 195 HB3 ASP 26 HB3 ASP 26 -11.389 -11.562 15.511 196 H HIS 27 H HIS 27 -8.325 -11.515 13.137 197 HA HIS 27 HA HIS 27 -7.156 -9.785 15.032 198 HB2 HIS 27 HB2 HIS 27 -6.055 -11.315 12.696 199 HB3 HIS 27 HB3 HIS 27 -5.037 -10.248 13.657 200 HD1 HIS 27 HD1 HIS 27 -3.979 -11.268 15.642 201 HD2 HIS 27 HD2 HIS 27 -7.307 -13.413 14.370 202 HE1 HIS 27 HE1 HIS 27 -4.051 -13.332 17.083 203 HE2 HIS 27 HE2 HIS 27 -5.962 -14.700 16.165 204 H ARG 28 H ARG 28 -8.377 -9.208 11.887 205 HA ARG 28 HA ARG 28 -6.774 -7.341 10.707 206 HB2 ARG 28 HB2 ARG 28 -8.821 -8.210 9.705 207 HB3 ARG 28 HB3 ARG 28 -9.796 -7.354 10.881 208 HG2 ARG 28 HG2 ARG 28 -8.023 -5.901 8.942 209 HG3 ARG 28 HG3 ARG 28 -9.657 -6.409 8.519 210 HD2 ARG 28 HD2 ARG 28 -10.289 -5.189 10.748 211 HD3 ARG 28 HD3 ARG 28 -8.750 -4.369 10.507 212 HE ARG 28 HE ARG 28 -11.191 -3.904 9.112 213 HH11 ARG 28 HH11 ARG 28 -7.709 -3.857 8.640 214 HH12 ARG 28 HH12 ARG 28 -7.782 -2.617 7.424 215 HH21 ARG 28 HH21 ARG 28 -11.258 -2.275 7.549 216 HH22 ARG 28 HH22 ARG 28 -9.781 -1.705 6.820 217 H SER 29 H SER 29 -8.937 -6.804 13.448 218 HA SER 29 HA SER 29 -8.919 -4.038 13.573 219 HB2 SER 29 HB2 SER 29 -8.787 -5.952 15.916 220 HB3 SER 29 HB3 SER 29 -9.426 -4.307 15.938 221 HG SER 29 HG SER 29 -10.985 -5.047 14.353 222 H ARG 30 H ARG 30 -6.560 -6.331 14.896 223 HA ARG 30 HA ARG 30 -4.847 -4.215 15.869 224 HB2 ARG 30 HB2 ARG 30 -4.547 -7.219 15.800 225 HB3 ARG 30 HB3 ARG 30 -3.276 -6.149 16.377 226 HG2 ARG 30 HG2 ARG 30 -4.405 -6.904 18.293 227 HG3 ARG 30 HG3 ARG 30 -4.958 -5.248 18.033 228 HD2 ARG 30 HD2 ARG 30 -6.944 -6.232 16.827 229 HD3 ARG 30 HD3 ARG 30 -6.420 -7.810 17.417 230 HE ARG 30 HE ARG 30 -6.669 -5.893 19.521 231 HH11 ARG 30 HH11 ARG 30 -8.469 -8.127 17.510 232 HH12 ARG 30 HH12 ARG 30 -9.802 -8.251 18.619 233 HH21 ARG 30 HH21 ARG 30 -8.396 -6.071 20.994 234 HH22 ARG 30 HH22 ARG 30 -9.763 -7.068 20.596 235 H VAL 31 H VAL 31 -4.996 -6.422 13.151 236 HA VAL 31 HA VAL 31 -2.430 -5.975 12.090 237 HB VAL 31 HB VAL 31 -4.978 -6.637 10.595 238 HG11 VAL 31 HG11 VAL 31 -2.086 -6.943 9.793 239 HG12 VAL 31 HG12 VAL 31 -3.268 -5.850 9.072 240 HG13 VAL 31 HG13 VAL 31 -3.458 -7.594 8.900 241 HG21 VAL 31 HG21 VAL 31 -4.488 -8.253 12.356 242 HG22 VAL 31 HG22 VAL 31 -2.851 -8.451 11.729 243 HG23 VAL 31 HG23 VAL 31 -4.235 -8.959 10.761 244 H LEU 32 H LEU 32 -5.434 -4.180 11.818 245 HA LEU 32 HA LEU 32 -4.801 -2.433 9.747 246 HB2 LEU 32 HB2 LEU 32 -7.018 -2.571 10.757 247 HB3 LEU 32 HB3 LEU 32 -6.397 -1.910 12.256 248 HG LEU 32 HG LEU 32 -5.903 0.217 11.092 249 HD11 LEU 32 HD11 LEU 32 -5.601 -0.644 8.835 250 HD12 LEU 32 HD12 LEU 32 -6.838 0.612 8.869 251 HD13 LEU 32 HD13 LEU 32 -7.307 -1.085 8.764 252 HD21 LEU 32 HD21 LEU 32 -8.753 -0.724 10.824 253 HD22 LEU 32 HD22 LEU 32 -8.213 0.952 10.899 254 HD23 LEU 32 HD23 LEU 32 -8.006 -0.103 12.297 255 H ARG 33 H ARG 33 -3.984 -2.269 13.185 256 HA ARG 33 HA ARG 33 -2.796 0.299 13.075 257 HB2 ARG 33 HB2 ARG 33 -2.743 -1.955 15.032 258 HB3 ARG 33 HB3 ARG 33 -1.563 -0.664 15.198 259 HG2 ARG 33 HG2 ARG 33 -3.425 -0.180 16.605 260 HG3 ARG 33 HG3 ARG 33 -3.431 0.965 15.265 261 HD2 ARG 33 HD2 ARG 33 -5.106 -0.504 14.129 262 HD3 ARG 33 HD3 ARG 33 -5.184 -1.463 15.607 263 HE ARG 33 HE ARG 33 -5.626 1.265 16.198 264 HH11 ARG 33 HH11 ARG 33 -7.191 -1.542 14.804 265 HH12 ARG 33 HH12 ARG 33 -8.801 -0.936 15.062 266 HH21 ARG 33 HH21 ARG 33 -7.732 2.067 16.559 267 HH22 ARG 33 HH22 ARG 33 -9.108 1.113 16.083 268 H TYR 34 H TYR 34 -1.569 -2.952 12.569 269 HA TYR 34 HA TYR 34 1.174 -2.172 12.372 270 HB2 TYR 34 HB2 TYR 34 0.500 -4.486 12.911 271 HB3 TYR 34 HB3 TYR 34 -0.228 -4.646 11.318 272 HD1 TYR 34 HD1 TYR 34 3.002 -4.154 13.074 273 HD2 TYR 34 HD2 TYR 34 1.068 -5.294 9.459 274 HE1 TYR 34 HE1 TYR 34 5.148 -4.955 12.182 275 HE2 TYR 34 HE2 TYR 34 3.208 -6.101 8.558 276 HH TYR 34 HH TYR 34 5.592 -5.727 8.898 277 H LEU 35 H LEU 35 -1.497 -2.510 10.154 278 HA LEU 35 HA LEU 35 -0.135 -2.330 7.716 279 HB2 LEU 35 HB2 LEU 35 -2.508 -2.947 7.972 280 HB3 LEU 35 HB3 LEU 35 -2.879 -1.301 8.445 281 HG LEU 35 HG LEU 35 -2.106 -0.554 6.181 282 HD11 LEU 35 HD11 LEU 35 -2.148 -3.507 5.588 283 HD12 LEU 35 HD12 LEU 35 -0.707 -2.495 5.665 284 HD13 LEU 35 HD13 LEU 35 -1.918 -2.205 4.417 285 HD21 LEU 35 HD21 LEU 35 -4.470 -0.841 6.724 286 HD22 LEU 35 HD22 LEU 35 -4.376 -2.535 6.238 287 HD23 LEU 35 HD23 LEU 35 -4.136 -1.260 5.043 288 H GLU 36 H GLU 36 -1.648 0.236 9.661 289 HA GLU 36 HA GLU 36 -0.820 2.326 7.927 290 HB2 GLU 36 HB2 GLU 36 -1.541 3.819 9.824 291 HB3 GLU 36 HB3 GLU 36 -2.766 2.716 9.214 292 HG2 GLU 36 HG2 GLU 36 -2.308 1.208 11.104 293 HG3 GLU 36 HG3 GLU 36 -1.139 2.374 11.723 294 H LEU 37 H LEU 37 0.700 0.794 10.678 295 HA LEU 37 HA LEU 37 2.598 2.955 11.000 296 HB2 LEU 37 HB2 LEU 37 2.398 0.240 12.285 297 HB3 LEU 37 HB3 LEU 37 3.689 1.375 12.630 298 HG LEU 37 HG LEU 37 0.750 1.844 13.144 299 HD11 LEU 37 HD11 LEU 37 1.386 1.716 15.500 300 HD12 LEU 37 HD12 LEU 37 3.042 1.324 15.034 301 HD13 LEU 37 HD13 LEU 37 1.732 0.204 14.657 302 HD21 LEU 37 HD21 LEU 37 1.968 3.901 12.568 303 HD22 LEU 37 HD22 LEU 37 3.143 3.548 13.836 304 HD23 LEU 37 HD23 LEU 37 1.462 3.883 14.257 305 H TYR 38 H TYR 38 2.516 -0.163 9.390 306 HA TYR 38 HA TYR 38 5.419 -0.026 8.992 307 HB2 TYR 38 HB2 TYR 38 4.434 -2.084 9.979 308 HB3 TYR 38 HB3 TYR 38 3.542 -2.340 8.484 309 HD1 TYR 38 HD2 TYR 38 6.948 -2.179 9.931 310 HD2 TYR 38 HD1 TYR 38 4.558 -3.405 6.635 311 HE1 TYR 38 HE2 TYR 38 8.849 -3.457 9.036 312 HE2 TYR 38 HE1 TYR 38 6.452 -4.687 5.731 313 HH TYR 38 HH TYR 38 8.900 -4.711 5.879 314 H ILE 39 H ILE 39 2.404 -0.439 7.135 315 HA ILE 39 HA ILE 39 3.969 -0.449 4.669 316 HB ILE 39 HB ILE 39 1.021 -0.980 5.082 317 HG12 ILE 39 HG12 ILE 39 3.353 -2.846 4.564 318 HG13 ILE 39 HG13 ILE 39 2.462 -2.703 6.074 319 HG21 ILE 39 HG21 ILE 39 1.032 -1.790 2.774 320 HG22 ILE 39 HG22 ILE 39 2.725 -1.331 2.615 321 HG23 ILE 39 HG23 ILE 39 1.496 -0.089 2.848 322 HD11 ILE 39 HD11 ILE 39 0.451 -3.531 4.948 323 HD12 ILE 39 HD12 ILE 39 1.787 -4.678 4.857 324 HD13 ILE 39 HD13 ILE 39 1.370 -3.696 3.453 325 H PHE 40 H PHE 40 1.568 1.502 6.353 326 HA PHE 40 HA PHE 40 1.962 3.580 4.291 327 HB2 PHE 40 HB2 PHE 40 -0.482 3.144 6.019 328 HB3 PHE 40 HB3 PHE 40 -0.279 4.422 4.829 329 HD1 PHE 40 HD2 PHE 40 -0.105 3.799 2.401 330 HD2 PHE 40 HD1 PHE 40 -1.273 1.027 5.413 331 HE1 PHE 40 HE2 PHE 40 -1.108 2.355 0.679 332 HE2 PHE 40 HE1 PHE 40 -2.285 -0.417 3.697 333 HZ PHE 40 HZ PHE 40 -2.209 0.246 1.327 334 HA PRO 41 HA PRO 41 3.257 4.656 8.761 335 HB2 PRO 41 HB2 PRO 41 5.783 5.561 8.201 336 HB3 PRO 41 HB3 PRO 41 5.403 3.889 8.627 337 HG2 PRO 41 HG2 PRO 41 5.840 5.111 5.931 338 HG3 PRO 41 HG3 PRO 41 6.407 3.551 6.556 339 HD2 PRO 41 HD2 PRO 41 4.286 3.744 4.910 340 HD3 PRO 41 HD3 PRO 41 4.365 2.531 6.203 341 H HIS 42 H HIS 42 4.548 6.556 6.019 342 HA HIS 42 HA HIS 42 3.605 8.986 7.381 343 HB2 HIS 42 HB2 HIS 42 5.777 8.536 5.339 344 HB3 HIS 42 HB3 HIS 42 5.155 10.143 5.697 345 HD1 HIS 42 HD1 HIS 42 6.625 11.338 7.257 346 HD2 HIS 42 HD2 HIS 42 6.570 7.248 8.029 347 HE1 HIS 42 HE1 HIS 42 8.188 10.992 9.198 348 HE2 HIS 42 HE2 HIS 42 8.310 8.491 9.498 349 H ILE 43 H ILE 43 2.556 6.913 5.107 350 HA ILE 43 HA ILE 43 1.415 9.039 3.414 351 HB ILE 43 HB ILE 43 1.349 7.393 1.563 352 HG12 ILE 43 HG12 ILE 43 3.092 5.714 3.380 353 HG13 ILE 43 HG13 ILE 43 1.415 5.351 2.985 354 HG21 ILE 43 HG21 ILE 43 3.149 9.034 1.721 355 HG22 ILE 43 HG22 ILE 43 3.735 7.520 1.029 356 HG23 ILE 43 HG23 ILE 43 4.090 7.918 2.711 357 HD11 ILE 43 HD11 ILE 43 3.721 5.447 1.057 358 HD12 ILE 43 HD12 ILE 43 2.041 5.127 0.626 359 HD13 ILE 43 HD13 ILE 43 2.915 3.999 1.664 360 H GLY 44 H GLY 44 0.494 7.306 5.852 361 HA2 GLY 44 HA2 GLY 44 -1.658 5.704 4.939 362 HA3 GLY 44 HA3 GLY 44 -1.440 6.302 6.576 363 H SER 45 H SER 45 -1.331 9.074 5.149 364 HA SER 45 HA SER 45 -4.168 9.595 5.444 365 HB2 SER 45 HB2 SER 45 -3.303 12.006 5.079 366 HB3 SER 45 HB3 SER 45 -2.831 11.173 6.563 367 HG SER 45 HG SER 45 -0.863 11.561 5.948 368 H SER 46 H SER 46 -2.315 8.550 2.964 369 HA SER 46 HA SER 46 -3.681 10.205 0.956 370 HB2 SER 46 HB2 SER 46 -1.199 8.510 0.608 371 HB3 SER 46 HB3 SER 46 -1.895 9.614 -0.579 372 HG SER 46 HG SER 46 -1.005 10.432 1.986 373 H ASP 47 H ASP 47 -5.499 9.243 0.388 374 HA ASP 47 HA ASP 47 -5.744 6.370 0.274 375 HB2 ASP 47 HB2 ASP 47 -7.608 7.773 1.110 376 HB3 ASP 47 HB3 ASP 47 -7.743 8.521 -0.479 377 H ILE 48 H ILE 48 -6.812 5.412 -1.729 378 HA ILE 48 HA ILE 48 -4.931 5.794 -3.845 379 HB ILE 48 HB ILE 48 -5.828 3.570 -3.120 380 HG12 ILE 48 HG12 ILE 48 -6.242 4.202 -6.049 381 HG13 ILE 48 HG13 ILE 48 -4.674 3.929 -5.297 382 HG21 ILE 48 HG21 ILE 48 -8.292 4.461 -4.610 383 HG22 ILE 48 HG22 ILE 48 -8.167 4.178 -2.874 384 HG23 ILE 48 HG23 ILE 48 -7.986 2.832 -4.001 385 HD11 ILE 48 HD11 ILE 48 -5.452 1.951 -6.470 386 HD12 ILE 48 HD12 ILE 48 -6.914 1.927 -5.485 387 HD13 ILE 48 HD13 ILE 48 -5.341 1.651 -4.735 388 H ARG 49 H ARG 49 -7.950 7.207 -3.152 389 HA ARG 49 HA ARG 49 -9.092 7.684 -5.622 390 HB2 ARG 49 HB2 ARG 49 -9.650 8.581 -3.174 391 HB3 ARG 49 HB3 ARG 49 -8.810 10.007 -3.760 392 HG2 ARG 49 HG2 ARG 49 -11.232 8.739 -5.032 393 HG3 ARG 49 HG3 ARG 49 -11.228 10.196 -4.040 394 HD2 ARG 49 HD2 ARG 49 -9.691 9.914 -6.620 395 HD3 ARG 49 HD3 ARG 49 -11.317 10.583 -6.520 396 HE ARG 49 HE ARG 49 -10.039 12.149 -4.793 397 HH11 ARG 49 HH11 ARG 49 -8.975 11.047 -7.956 398 HH12 ARG 49 HH12 ARG 49 -8.134 12.524 -8.317 399 HH21 ARG 49 HH21 ARG 49 -8.923 14.080 -5.287 400 HH22 ARG 49 HH22 ARG 49 -8.108 14.233 -6.818 401 H GLN 50 H GLN 50 -6.393 9.378 -4.086 402 HA GLN 50 HA GLN 50 -5.441 10.124 -6.746 403 HB2 GLN 50 HB2 GLN 50 -6.576 12.049 -5.312 404 HB3 GLN 50 HB3 GLN 50 -5.020 12.052 -4.498 405 HG2 GLN 50 HG2 GLN 50 -5.523 12.532 -7.427 406 HG3 GLN 50 HG3 GLN 50 -5.060 13.727 -6.222 407 HE21 GLN 50 HE21 GLN 50 -3.992 11.126 -8.239 408 HE22 GLN 50 HE22 GLN 50 -2.298 11.343 -7.982 409 H LEU 51 H LEU 51 -4.110 8.301 -6.465 410 HA LEU 51 HA LEU 51 -2.212 8.263 -4.281 411 HB2 LEU 51 HB2 LEU 51 -3.419 6.281 -5.570 412 HB3 LEU 51 HB3 LEU 51 -2.035 6.434 -6.632 413 HG LEU 51 HG LEU 51 -1.790 4.669 -4.894 414 HD11 LEU 51 HD11 LEU 51 0.177 6.938 -4.692 415 HD12 LEU 51 HD12 LEU 51 0.193 5.646 -5.892 416 HD13 LEU 51 HD13 LEU 51 0.469 5.272 -4.191 417 HD21 LEU 51 HD21 LEU 51 -1.354 5.342 -2.582 418 HD22 LEU 51 HD22 LEU 51 -2.990 5.758 -3.086 419 HD23 LEU 51 HD23 LEU 51 -1.751 7.008 -2.997 420 H LYS 52 H LYS 52 -0.178 9.008 -4.400 421 HA LYS 52 HA LYS 52 0.475 10.562 -6.766 422 HB2 LYS 52 HB2 LYS 52 1.775 10.494 -4.038 423 HB3 LYS 52 HB3 LYS 52 2.172 11.622 -5.329 424 HG2 LYS 52 HG2 LYS 52 -0.111 12.510 -5.252 425 HG3 LYS 52 HG3 LYS 52 -0.495 11.390 -3.945 426 HD2 LYS 52 HD2 LYS 52 1.237 12.451 -2.553 427 HD3 LYS 52 HD3 LYS 52 1.572 13.591 -3.860 428 HE2 LYS 52 HE2 LYS 52 -0.774 14.361 -3.741 429 HE3 LYS 52 HE3 LYS 52 -1.038 13.275 -2.378 430 HZ1 LYS 52 HZ1 LYS 52 -0.598 15.532 -1.642 431 HZ2 LYS 52 HZ2 LYS 52 0.894 15.535 -2.445 432 HZ3 LYS 52 HZ3 LYS 52 0.641 14.492 -1.130 433 H THR 53 H THR 53 2.847 10.724 -7.315 434 HA THR 53 HA THR 53 3.739 8.168 -8.183 435 HB THR 53 HB THR 53 5.680 10.340 -8.423 436 HG1 THR 53 HG1 THR 53 4.102 11.401 -9.979 437 HG21 THR 53 HG21 THR 53 5.480 9.779 -10.802 438 HG22 THR 53 HG22 THR 53 4.088 8.754 -10.449 439 HG23 THR 53 HG23 THR 53 5.682 8.325 -9.826 440 H SER 54 H SER 54 6.537 8.517 -8.071 441 HA SER 54 HA SER 54 7.117 7.067 -5.741 442 HB2 SER 54 HB2 SER 54 9.078 8.466 -7.561 443 HB3 SER 54 HB3 SER 54 9.390 7.063 -6.538 444 HG SER 54 HG SER 54 8.605 5.831 -8.038 445 H HIS 55 H HIS 55 6.263 10.075 -5.463 446 HA HIS 55 HA HIS 55 8.434 11.252 -4.005 447 HB2 HIS 55 HB2 HIS 55 5.475 11.902 -4.001 448 HB3 HIS 55 HB3 HIS 55 6.710 12.867 -3.205 449 HD1 HIS 55 HD1 HIS 55 7.574 14.756 -4.554 450 HD2 HIS 55 HD2 HIS 55 5.980 11.732 -6.920 451 HE1 HIS 55 HE1 HIS 55 7.676 15.619 -6.917 452 HE2 HIS 55 HE2 HIS 55 6.471 13.873 -8.286 453 H LEU 56 H LEU 56 5.726 9.185 -3.313 454 HA LEU 56 HA LEU 56 5.963 9.385 -0.460 455 HB2 LEU 56 HB2 LEU 56 4.306 7.611 -0.372 456 HB3 LEU 56 HB3 LEU 56 3.814 8.877 -1.477 457 HG LEU 56 HG LEU 56 4.870 7.248 -3.278 458 HD11 LEU 56 HD11 LEU 56 4.474 4.911 -2.736 459 HD12 LEU 56 HD12 LEU 56 4.050 5.357 -1.082 460 HD13 LEU 56 HD13 LEU 56 5.693 5.612 -1.674 461 HD21 LEU 56 HD21 LEU 56 2.634 6.275 -3.587 462 HD22 LEU 56 HD22 LEU 56 2.582 8.011 -3.282 463 HD23 LEU 56 HD23 LEU 56 2.171 6.876 -1.995 464 H LEU 57 H LEU 57 7.650 7.778 -2.862 465 HA LEU 57 HA LEU 57 8.388 5.391 -1.537 466 HB2 LEU 57 HB2 LEU 57 8.665 5.422 -3.870 467 HB3 LEU 57 HB3 LEU 57 9.517 6.953 -3.838 468 HG LEU 57 HG LEU 57 10.856 4.710 -2.457 469 HD11 LEU 57 HD11 LEU 57 9.947 3.587 -4.437 470 HD12 LEU 57 HD12 LEU 57 11.698 3.770 -4.548 471 HD13 LEU 57 HD13 LEU 57 10.639 4.842 -5.464 472 HD21 LEU 57 HD21 LEU 57 11.813 6.773 -4.441 473 HD22 LEU 57 HD22 LEU 57 12.823 5.715 -3.454 474 HD23 LEU 57 HD23 LEU 57 11.841 6.963 -2.688 475 H ALA 58 H ALA 58 9.535 8.654 -1.359 476 HA ALA 58 HA ALA 58 12.129 8.340 -0.477 477 HB1 ALA 58 HB1 ALA 58 11.148 10.503 -1.064 478 HB2 ALA 58 HB2 ALA 58 11.962 10.550 0.499 479 HB3 ALA 58 HB3 ALA 58 10.201 10.473 0.424 480 HA PRO 59 HA PRO 59 10.636 8.166 4.175 481 HB2 PRO 59 HB2 PRO 59 7.861 7.195 3.806 482 HB3 PRO 59 HB3 PRO 59 8.511 8.344 4.977 483 HG2 PRO 59 HG2 PRO 59 7.045 9.197 2.930 484 HG3 PRO 59 HG3 PRO 59 8.466 10.113 3.469 485 HD2 PRO 59 HD2 PRO 59 8.173 8.269 1.127 486 HD3 PRO 59 HD3 PRO 59 9.012 9.830 1.233 487 H ILE 60 H ILE 60 9.469 5.960 1.719 488 HA ILE 60 HA ILE 60 9.463 3.619 3.354 489 HB ILE 60 HB ILE 60 9.648 3.793 0.337 490 HG12 ILE 60 HG12 ILE 60 7.685 4.998 1.167 491 HG13 ILE 60 HG13 ILE 60 7.201 3.517 0.351 492 HG21 ILE 60 HG21 ILE 60 8.665 1.535 0.378 493 HG22 ILE 60 HG22 ILE 60 8.772 1.537 2.139 494 HG23 ILE 60 HG23 ILE 60 10.242 1.595 1.165 495 HD11 ILE 60 HD11 ILE 60 5.900 3.898 2.370 496 HD12 ILE 60 HD12 ILE 60 7.379 3.902 3.330 497 HD13 ILE 60 HD13 ILE 60 6.868 2.430 2.503 498 H LYS 61 H LYS 61 11.851 5.417 1.685 499 HA LYS 61 HA LYS 61 13.739 3.392 1.132 500 HB2 LYS 61 HB2 LYS 61 13.560 5.954 0.438 501 HB3 LYS 61 HB3 LYS 61 14.636 6.160 1.809 502 HG2 LYS 61 HG2 LYS 61 15.223 4.287 -0.469 503 HG3 LYS 61 HG3 LYS 61 15.728 5.975 -0.449 504 HD2 LYS 61 HD2 LYS 61 16.952 5.533 1.662 505 HD3 LYS 61 HD3 LYS 61 16.516 3.828 1.518 506 HE2 LYS 61 HE2 LYS 61 17.681 3.717 -0.635 507 HE3 LYS 61 HE3 LYS 61 18.128 5.417 -0.479 508 HZ1 LYS 61 HZ1 LYS 61 19.955 4.037 0.196 509 HZ2 LYS 61 HZ2 LYS 61 18.985 3.192 1.295 510 HZ3 LYS 61 HZ3 LYS 61 19.345 4.826 1.570 511 H GLU 62 H GLU 62 12.899 5.082 4.049 512 HA GLU 62 HA GLU 62 15.325 4.613 5.451 513 HB2 GLU 62 HB2 GLU 62 13.674 6.355 6.081 514 HB3 GLU 62 HB3 GLU 62 12.566 5.089 6.586 515 HG2 GLU 62 HG2 GLU 62 13.809 6.168 8.444 516 HG3 GLU 62 HG3 GLU 62 14.012 4.420 8.357 517 H VAL 63 H VAL 63 12.201 2.875 5.390 518 HA VAL 63 HA VAL 63 13.072 0.910 7.264 519 HB VAL 63 HB VAL 63 10.664 1.411 6.861 520 HG11 VAL 63 HG11 VAL 63 9.514 0.412 4.957 521 HG12 VAL 63 HG12 VAL 63 11.058 -0.132 4.303 522 HG13 VAL 63 HG13 VAL 63 10.713 1.592 4.426 523 HG21 VAL 63 HG21 VAL 63 11.423 -1.476 6.428 524 HG22 VAL 63 HG22 VAL 63 9.882 -0.886 7.051 525 HG23 VAL 63 HG23 VAL 63 11.360 -0.652 7.987 526 H ASP 64 H ASP 64 13.250 1.264 3.810 527 HA ASP 64 HA ASP 64 14.046 -1.296 3.037 528 HB2 ASP 64 HB2 ASP 64 13.626 0.277 1.318 529 HB3 ASP 64 HB3 ASP 64 14.732 1.454 2.013 530 H THR 65 H THR 65 16.091 1.469 3.935 531 HA THR 65 HA THR 65 18.488 -0.073 3.843 532 HB THR 65 HB THR 65 18.108 2.632 5.137 533 HG1 THR 65 HG1 THR 65 17.718 1.886 2.582 534 HG21 THR 65 HG21 THR 65 20.284 1.615 5.560 535 HG22 THR 65 HG22 THR 65 20.457 2.960 4.434 536 HG23 THR 65 HG23 THR 65 20.495 1.300 3.837 537 H SER 66 H SER 66 16.098 0.500 6.225 538 HA SER 66 HA SER 66 17.615 0.097 8.571 539 HB2 SER 66 HB2 SER 66 15.287 1.060 8.428 540 HB3 SER 66 HB3 SER 66 14.694 -0.579 8.162 541 HG SER 66 HG SER 66 15.671 -1.124 10.206 542 H GLY 67 H GLY 67 16.663 -2.066 6.100 543 HA2 GLY 67 HA2 GLY 67 18.060 -4.170 6.334 544 HA3 GLY 67 HA3 GLY 67 17.229 -4.366 7.868 545 H LYS 68 H LYS 68 14.806 -3.168 6.305 546 HA LYS 68 HA LYS 68 13.830 -5.809 5.482 547 HB2 LYS 68 HB2 LYS 68 12.288 -3.255 5.973 548 HB3 LYS 68 HB3 LYS 68 11.607 -4.860 5.739 549 HG2 LYS 68 HG2 LYS 68 13.513 -4.373 7.980 550 HG3 LYS 68 HG3 LYS 68 11.839 -3.858 8.116 551 HD2 LYS 68 HD2 LYS 68 11.998 -6.027 9.099 552 HD3 LYS 68 HD3 LYS 68 11.159 -6.207 7.560 553 HE2 LYS 68 HE2 LYS 68 13.141 -7.065 6.509 554 HE3 LYS 68 HE3 LYS 68 14.111 -6.696 7.935 555 HZ1 LYS 68 HZ1 LYS 68 12.870 -8.339 9.186 556 HZ2 LYS 68 HZ2 LYS 68 13.541 -9.054 7.801 557 HZ3 LYS 68 HZ3 LYS 68 11.890 -8.679 7.841 558 H HIS 69 H HIS 69 15.585 -4.238 3.877 559 HA HIS 69 HA HIS 69 14.550 -2.665 1.906 560 HB2 HIS 69 HB2 HIS 69 16.465 -3.287 0.519 561 HB3 HIS 69 HB3 HIS 69 16.948 -3.054 2.193 562 HD1 HIS 69 HD1 HIS 69 17.641 -5.175 -0.510 563 HD2 HIS 69 HD2 HIS 69 16.921 -5.840 3.536 564 HE1 HIS 69 HE1 HIS 69 18.590 -7.452 -0.013 565 HE2 HIS 69 HE2 HIS 69 18.019 -7.890 2.403 566 H ASP 70 H ASP 70 14.675 -6.239 1.794 567 HA ASP 70 HA ASP 70 13.587 -6.326 -0.846 568 HB2 ASP 70 HB2 ASP 70 13.408 -8.765 -0.455 569 HB3 ASP 70 HB3 ASP 70 15.006 -8.136 -0.071 570 H VAL 71 H VAL 71 12.276 -6.545 2.392 571 HA VAL 71 HA VAL 71 9.667 -7.366 1.652 572 HB VAL 71 HB VAL 71 10.480 -5.799 4.107 573 HG11 VAL 71 HG11 VAL 71 8.109 -7.590 3.590 574 HG12 VAL 71 HG12 VAL 71 8.076 -5.833 3.741 575 HG13 VAL 71 HG13 VAL 71 8.504 -6.830 5.133 576 HG21 VAL 71 HG21 VAL 71 11.838 -7.817 3.879 577 HG22 VAL 71 HG22 VAL 71 10.376 -8.788 3.709 578 HG23 VAL 71 HG23 VAL 71 10.712 -7.958 5.229 579 H ALA 72 H ALA 72 11.185 -4.224 2.199 580 HA ALA 72 HA ALA 72 8.892 -2.625 1.970 581 HB1 ALA 72 HB1 ALA 72 11.744 -1.926 1.283 582 HB2 ALA 72 HB2 ALA 72 11.007 -1.805 2.882 583 HB3 ALA 72 HB3 ALA 72 10.434 -0.781 1.567 584 H GLN 73 H GLN 73 11.269 -3.638 -0.472 585 HA GLN 73 HA GLN 73 10.186 -2.297 -2.659 586 HB2 GLN 73 HB2 GLN 73 11.726 -4.877 -2.455 587 HB3 GLN 73 HB3 GLN 73 11.331 -4.104 -3.974 588 HG2 GLN 73 HG2 GLN 73 12.601 -2.334 -2.040 589 HG3 GLN 73 HG3 GLN 73 13.600 -3.694 -2.549 590 HE21 GLN 73 HE21 GLN 73 12.000 -0.778 -3.528 591 HE22 GLN 73 HE22 GLN 73 12.764 -0.645 -5.075 592 H ARG 74 H ARG 74 9.575 -5.556 -1.431 593 HA ARG 74 HA ARG 74 7.734 -6.400 -3.344 594 HB2 ARG 74 HB2 ARG 74 8.041 -7.104 -0.430 595 HB3 ARG 74 HB3 ARG 74 6.870 -7.897 -1.477 596 HG2 ARG 74 HG2 ARG 74 8.616 -8.719 -2.901 597 HG3 ARG 74 HG3 ARG 74 9.830 -7.807 -2.007 598 HD2 ARG 74 HD2 ARG 74 9.494 -9.155 -0.056 599 HD3 ARG 74 HD3 ARG 74 8.113 -9.964 -0.797 600 HE ARG 74 HE ARG 74 10.370 -10.324 -2.428 601 HH11 ARG 74 HH11 ARG 74 9.257 -11.295 0.747 602 HH12 ARG 74 HH12 ARG 74 10.013 -12.850 0.672 603 HH21 ARG 74 HH21 ARG 74 11.341 -12.365 -2.541 604 HH22 ARG 74 HH22 ARG 74 11.189 -13.474 -1.205 605 H LEU 75 H LEU 75 7.284 -4.355 -0.520 606 HA LEU 75 HA LEU 75 4.456 -4.331 -0.573 607 HB2 LEU 75 HB2 LEU 75 6.390 -2.237 0.423 608 HB3 LEU 75 HB3 LEU 75 4.662 -2.209 0.708 609 HG LEU 75 HG LEU 75 6.570 -4.324 1.707 610 HD11 LEU 75 HD11 LEU 75 6.869 -2.216 2.861 611 HD12 LEU 75 HD12 LEU 75 6.072 -3.383 3.916 612 HD13 LEU 75 HD13 LEU 75 5.132 -2.103 3.147 613 HD21 LEU 75 HD21 LEU 75 3.619 -3.961 2.211 614 HD22 LEU 75 HD22 LEU 75 4.663 -5.157 2.977 615 HD23 LEU 75 HD23 LEU 75 4.357 -5.239 1.243 616 H GLN 76 H GLN 76 6.896 -2.264 -2.097 617 HA GLN 76 HA GLN 76 5.154 -0.405 -3.301 618 HB2 GLN 76 HB2 GLN 76 7.623 -1.293 -4.732 619 HB3 GLN 76 HB3 GLN 76 6.985 0.331 -4.520 620 HG2 GLN 76 HG2 GLN 76 7.602 0.086 -2.091 621 HG3 GLN 76 HG3 GLN 76 8.508 -1.341 -2.564 622 HE21 GLN 76 HE21 GLN 76 8.166 1.493 -4.577 623 HE22 GLN 76 HE22 GLN 76 9.816 1.992 -4.480 624 H GLN 77 H GLN 77 6.573 -3.395 -4.422 625 HA GLN 77 HA GLN 77 5.480 -3.398 -7.018 626 HB2 GLN 77 HB2 GLN 77 6.367 -5.729 -5.313 627 HB3 GLN 77 HB3 GLN 77 6.039 -5.809 -7.040 628 HG2 GLN 77 HG2 GLN 77 7.824 -4.145 -7.420 629 HG3 GLN 77 HG3 GLN 77 8.185 -4.183 -5.695 630 HE21 GLN 77 HE21 GLN 77 9.869 -4.859 -7.967 631 HE22 GLN 77 HE22 GLN 77 10.375 -6.498 -7.727 632 H ARG 78 H ARG 78 4.069 -4.195 -3.965 633 HA ARG 78 HA ARG 78 1.789 -5.501 -5.164 634 HB2 ARG 78 HB2 ARG 78 2.394 -4.601 -2.354 635 HB3 ARG 78 HB3 ARG 78 0.811 -5.211 -2.816 636 HG2 ARG 78 HG2 ARG 78 1.836 -7.316 -3.530 637 HG3 ARG 78 HG3 ARG 78 3.417 -6.703 -3.039 638 HD2 ARG 78 HD2 ARG 78 2.710 -6.580 -0.744 639 HD3 ARG 78 HD3 ARG 78 1.057 -7.003 -1.188 640 HE ARG 78 HE ARG 78 2.616 -9.084 -2.103 641 HH11 ARG 78 HH11 ARG 78 1.980 -7.600 1.015 642 HH12 ARG 78 HH12 ARG 78 2.220 -9.075 1.904 643 HH21 ARG 78 HH21 ARG 78 2.952 -10.999 -0.933 644 HH22 ARG 78 HH22 ARG 78 2.819 -10.996 0.801 645 H VAL 79 H VAL 79 2.563 -2.328 -3.810 646 HA VAL 79 HA VAL 79 0.023 -1.161 -4.080 647 HB VAL 79 HB VAL 79 2.724 0.191 -4.294 648 HG11 VAL 79 HG11 VAL 79 0.005 1.370 -3.733 649 HG12 VAL 79 HG12 VAL 79 0.946 1.588 -5.208 650 HG13 VAL 79 HG13 VAL 79 1.536 2.242 -3.679 651 HG21 VAL 79 HG21 VAL 79 0.905 -0.226 -1.924 652 HG22 VAL 79 HG22 VAL 79 2.367 0.762 -1.924 653 HG23 VAL 79 HG23 VAL 79 2.478 -0.980 -2.185 654 H THR 80 H THR 80 2.719 -1.428 -6.369 655 HA THR 80 HA THR 80 1.638 0.144 -8.425 656 HB THR 80 HB THR 80 3.102 -1.227 -9.953 657 HG1 THR 80 HG1 THR 80 3.895 -3.048 -9.232 658 HG21 THR 80 HG21 THR 80 3.946 0.793 -8.869 659 HG22 THR 80 HG22 THR 80 5.211 -0.429 -8.973 660 HG23 THR 80 HG23 THR 80 4.386 -0.142 -7.440 661 H ALA 81 H ALA 81 1.249 -3.281 -7.664 662 HA ALA 81 HA ALA 81 -0.329 -3.955 -9.906 663 HB1 ALA 81 HB1 ALA 81 -0.975 -5.941 -8.629 664 HB2 ALA 81 HB2 ALA 81 -0.276 -5.232 -7.171 665 HB3 ALA 81 HB3 ALA 81 0.762 -5.651 -8.534 666 H ILE 82 H ILE 82 -1.151 -2.860 -6.647 667 HA ILE 82 HA ILE 82 -3.941 -2.966 -6.859 668 HB ILE 82 HB ILE 82 -2.243 -1.010 -5.290 669 HG12 ILE 82 HG12 ILE 82 -3.505 -3.626 -4.441 670 HG13 ILE 82 HG13 ILE 82 -1.799 -3.405 -4.812 671 HG21 ILE 82 HG21 ILE 82 -4.210 -0.731 -3.860 672 HG22 ILE 82 HG22 ILE 82 -5.137 -1.783 -4.930 673 HG23 ILE 82 HG23 ILE 82 -4.545 -0.230 -5.516 674 HD11 ILE 82 HD11 ILE 82 -1.602 -1.839 -2.951 675 HD12 ILE 82 HD12 ILE 82 -2.182 -3.419 -2.422 676 HD13 ILE 82 HD13 ILE 82 -3.310 -2.071 -2.578 677 H MET 83 H MET 83 -1.627 -0.444 -7.750 678 HA MET 83 HA MET 83 -3.539 1.482 -8.528 679 HB2 MET 83 HB2 MET 83 -0.659 1.124 -9.350 680 HB3 MET 83 HB3 MET 83 -1.641 2.508 -9.810 681 HG2 MET 83 HG2 MET 83 -0.846 1.687 -7.030 682 HG3 MET 83 HG3 MET 83 -0.291 3.100 -7.929 683 HE1 MET 83 HE1 MET 83 -3.105 3.964 -9.306 684 HE2 MET 83 HE2 MET 83 -1.943 5.111 -8.642 685 HE3 MET 83 HE3 MET 83 -3.636 5.190 -8.157 686 H ARG 84 H ARG 84 -2.007 -1.179 -10.263 687 HA ARG 84 HA ARG 84 -2.925 -0.436 -12.842 688 HB2 ARG 84 HB2 ARG 84 -2.288 -3.195 -11.765 689 HB3 ARG 84 HB3 ARG 84 -2.531 -2.803 -13.461 690 HG2 ARG 84 HG2 ARG 84 -0.316 -1.821 -11.675 691 HG3 ARG 84 HG3 ARG 84 -0.183 -2.962 -13.014 692 HD2 ARG 84 HD2 ARG 84 -0.999 -0.065 -13.248 693 HD3 ARG 84 HD3 ARG 84 0.598 -0.711 -13.622 694 HE ARG 84 HE ARG 84 -1.840 -1.534 -15.088 695 HH11 ARG 84 HH11 ARG 84 1.506 -0.481 -15.016 696 HH12 ARG 84 HH12 ARG 84 1.706 -0.562 -16.739 697 HH21 ARG 84 HH21 ARG 84 -1.571 -1.659 -17.360 698 HH22 ARG 84 HH22 ARG 84 -0.024 -1.284 -18.057 699 H TYR 85 H TYR 85 -4.354 -2.219 -10.187 700 HA TYR 85 HA TYR 85 -6.671 -3.058 -11.636 701 HB2 TYR 85 HB2 TYR 85 -5.634 -3.932 -9.357 702 HB3 TYR 85 HB3 TYR 85 -6.705 -2.718 -8.661 703 HD1 TYR 85 HD1 TYR 85 -6.535 -5.859 -10.530 704 HD2 TYR 85 HD2 TYR 85 -9.106 -3.010 -8.698 705 HE1 TYR 85 HE1 TYR 85 -8.399 -7.449 -10.693 706 HE2 TYR 85 HE2 TYR 85 -10.980 -4.592 -8.852 707 HH TYR 85 HH TYR 85 -11.626 -6.558 -10.226 708 H ALA 86 H ALA 86 -5.760 -0.256 -9.750 709 HA ALA 86 HA ALA 86 -8.306 0.981 -9.657 710 HB1 ALA 86 HB1 ALA 86 -5.556 2.228 -9.639 711 HB2 ALA 86 HB2 ALA 86 -6.478 1.709 -8.227 712 HB3 ALA 86 HB3 ALA 86 -7.057 3.051 -9.213 713 H VAL 87 H VAL 87 -5.648 1.064 -11.979 714 HA VAL 87 HA VAL 87 -6.839 2.929 -13.763 715 HB VAL 87 HB VAL 87 -4.736 0.809 -14.285 716 HG11 VAL 87 HG11 VAL 87 -4.142 2.097 -16.271 717 HG12 VAL 87 HG12 VAL 87 -5.494 3.191 -15.970 718 HG13 VAL 87 HG13 VAL 87 -5.799 1.499 -16.365 719 HG21 VAL 87 HG21 VAL 87 -4.470 3.752 -13.682 720 HG22 VAL 87 HG22 VAL 87 -3.143 2.671 -14.115 721 HG23 VAL 87 HG23 VAL 87 -4.034 2.418 -12.613 722 H GLN 88 H GLN 88 -7.152 -0.513 -13.295 723 HA GLN 88 HA GLN 88 -8.367 -1.275 -15.681 724 HB2 GLN 88 HB2 GLN 88 -7.731 -2.896 -13.982 725 HB3 GLN 88 HB3 GLN 88 -8.912 -2.233 -12.862 726 HG2 GLN 88 HG2 GLN 88 -10.685 -2.893 -14.515 727 HG3 GLN 88 HG3 GLN 88 -9.427 -3.760 -15.398 728 HE21 GLN 88 HE21 GLN 88 -8.511 -5.611 -14.481 729 HE22 GLN 88 HE22 GLN 88 -9.265 -6.444 -13.164 730 H ASN 89 H ASN 89 -9.753 0.186 -12.782 731 HA ASN 89 HA ASN 89 -12.391 0.368 -13.999 732 HB2 ASN 89 HB2 ASN 89 -11.337 1.283 -11.310 733 HB3 ASN 89 HB3 ASN 89 -13.010 1.460 -11.830 734 HD21 ASN 89 HD21 ASN 89 -10.532 -0.783 -10.837 735 HD22 ASN 89 HD22 ASN 89 -11.589 -2.121 -10.550 736 H ASP 90 H ASP 90 -9.554 2.134 -13.757 737 HA ASP 90 HA ASP 90 -8.867 4.239 -14.187 738 HB2 ASP 90 HB2 ASP 90 -9.353 3.328 -16.437 739 HB3 ASP 90 HB3 ASP 90 -10.944 4.090 -16.368 740 H TYR 91 H TYR 91 -9.833 4.991 -12.154 741 HA TYR 91 HA TYR 91 -11.728 7.145 -12.783 742 HB2 TYR 91 HB2 TYR 91 -12.029 7.336 -10.302 743 HB3 TYR 91 HB3 TYR 91 -12.579 5.811 -10.986 744 HD1 TYR 91 HD2 TYR 91 -11.388 3.740 -10.521 745 HD2 TYR 91 HD1 TYR 91 -10.137 7.419 -8.793 746 HE1 TYR 91 HE2 TYR 91 -10.020 2.505 -8.896 747 HE2 TYR 91 HE1 TYR 91 -8.764 6.195 -7.161 748 HH TYR 91 HH TYR 91 -8.615 4.009 -6.159 749 H ILE 92 H ILE 92 -8.653 6.687 -12.965 750 HA ILE 92 HA ILE 92 -7.874 9.175 -11.607 751 HB ILE 92 HB ILE 92 -5.538 8.135 -11.556 752 HG12 ILE 92 HG12 ILE 92 -7.200 5.636 -11.961 753 HG13 ILE 92 HG13 ILE 92 -5.958 6.250 -13.048 754 HG21 ILE 92 HG21 ILE 92 -7.716 6.988 -9.814 755 HG22 ILE 92 HG22 ILE 92 -6.893 8.529 -9.573 756 HG23 ILE 92 HG23 ILE 92 -5.994 7.017 -9.429 757 HD11 ILE 92 HD11 ILE 92 -5.164 4.367 -11.730 758 HD12 ILE 92 HD12 ILE 92 -5.498 5.256 -10.244 759 HD13 ILE 92 HD13 ILE 92 -4.261 5.836 -11.361 760 H ASP 93 H ASP 93 -7.356 7.110 -14.448 761 HA ASP 93 HA ASP 93 -6.572 7.519 -16.533 762 HB2 ASP 93 HB2 ASP 93 -8.335 9.259 -16.485 763 HB3 ASP 93 HB3 ASP 93 -7.163 10.412 -15.869 764 H SER 94 H SER 94 -4.791 7.670 -14.155 765 HA SER 94 HA SER 94 -2.461 8.667 -15.569 766 HB2 SER 94 HB2 SER 94 -3.166 9.579 -12.768 767 HB3 SER 94 HB3 SER 94 -1.655 9.929 -13.607 768 HG SER 94 HG SER 94 -3.745 10.602 -15.159 769 H ASN 95 H ASN 95 -0.658 7.469 -15.169 770 HA ASN 95 HA ASN 95 -0.977 5.233 -13.305 771 HB2 ASN 95 HB2 ASN 95 -0.806 4.928 -15.863 772 HB3 ASN 95 HB3 ASN 95 0.896 5.318 -15.645 773 HD21 ASN 95 HD21 ASN 95 -0.504 2.916 -16.506 774 HD22 ASN 95 HD22 ASN 95 0.070 1.671 -15.476 775 HA PRO 96 HA PRO 96 2.647 7.539 -11.627 776 HB2 PRO 96 HB2 PRO 96 1.976 7.421 -9.036 777 HB3 PRO 96 HB3 PRO 96 1.229 8.598 -10.123 778 HG2 PRO 96 HG2 PRO 96 0.148 6.000 -9.113 779 HG3 PRO 96 HG3 PRO 96 -0.681 7.553 -9.318 780 HD2 PRO 96 HD2 PRO 96 -0.822 5.450 -11.099 781 HD3 PRO 96 HD3 PRO 96 -1.125 7.148 -11.522 782 H ALA 97 H ALA 97 1.565 4.435 -11.677 783 HA ALA 97 HA ALA 97 3.598 3.404 -9.828 784 HB1 ALA 97 HB1 ALA 97 1.302 2.637 -9.454 785 HB2 ALA 97 HB2 ALA 97 2.368 1.305 -9.903 786 HB3 ALA 97 HB3 ALA 97 1.255 1.983 -11.091 787 H SER 98 H SER 98 3.524 4.281 -12.895 788 HA SER 98 HA SER 98 4.339 1.966 -14.315 789 HB2 SER 98 HB2 SER 98 3.401 4.056 -15.346 790 HB3 SER 98 HB3 SER 98 4.934 4.852 -14.998 791 HG SER 98 HG SER 98 4.843 2.433 -16.462 792 H ASP 99 H ASP 99 6.136 4.700 -12.900 793 HA ASP 99 HA ASP 99 8.513 2.948 -12.813 794 HB2 ASP 99 HB2 ASP 99 8.589 4.953 -14.443 795 HB3 ASP 99 HB3 ASP 99 8.677 5.955 -12.999 796 H MET 100 H MET 100 6.374 3.318 -10.903 797 HA MET 100 HA MET 100 7.019 5.014 -8.778 798 HB2 MET 100 HB2 MET 100 4.870 3.775 -9.042 799 HB3 MET 100 HB3 MET 100 5.705 2.290 -8.620 800 HG2 MET 100 HG2 MET 100 5.675 4.639 -6.765 801 HG3 MET 100 HG3 MET 100 4.343 3.489 -6.816 802 HE1 MET 100 HE1 MET 100 4.623 2.938 -4.259 803 HE2 MET 100 HE2 MET 100 5.930 4.117 -4.153 804 HE3 MET 100 HE3 MET 100 6.154 2.490 -3.508 805 H ALA 101 H ALA 101 7.761 1.561 -9.173 806 HA ALA 101 HA ALA 101 10.095 1.948 -7.424 807 HB1 ALA 101 HB1 ALA 101 8.642 -0.628 -8.048 808 HB2 ALA 101 HB2 ALA 101 8.478 0.309 -6.561 809 HB3 ALA 101 HB3 ALA 101 10.022 -0.441 -6.965 810 H GLY 102 H GLY 102 11.503 2.653 -8.988 811 HA2 GLY 102 HA2 GLY 102 11.662 1.355 -11.546 812 HA3 GLY 102 HA3 GLY 102 12.661 2.683 -10.982 813 H ALA 103 H ALA 103 14.126 1.175 -12.291 814 HA ALA 103 HA ALA 103 15.036 -1.198 -10.937 815 HB1 ALA 103 HB1 ALA 103 15.026 -1.122 -13.370 816 HB2 ALA 103 HB2 ALA 103 16.667 -1.355 -12.763 817 HB3 ALA 103 HB3 ALA 103 16.159 0.230 -13.346 818 H LEU 104 H LEU 104 15.716 -0.406 -8.932 819 HA LEU 104 HA LEU 104 18.177 1.189 -8.963 820 HB2 LEU 104 HB2 LEU 104 17.817 1.321 -6.480 821 HB3 LEU 104 HB3 LEU 104 16.603 2.110 -7.465 822 HG LEU 104 HG LEU 104 15.221 -0.047 -7.144 823 HD11 LEU 104 HD11 LEU 104 15.666 -1.296 -5.116 824 HD12 LEU 104 HD12 LEU 104 17.127 -0.352 -4.832 825 HD13 LEU 104 HD13 LEU 104 17.031 -1.424 -6.228 826 HD21 LEU 104 HD21 LEU 104 14.338 0.783 -5.016 827 HD22 LEU 104 HD22 LEU 104 14.638 2.091 -6.159 828 HD23 LEU 104 HD23 LEU 104 15.762 1.807 -4.831 829 H SER 105 H SER 105 17.263 -1.954 -9.042 830 HA SER 105 HA SER 105 19.288 -2.979 -7.225 831 HB2 SER 105 HB2 SER 105 17.078 -4.079 -7.325 832 HB3 SER 105 HB3 SER 105 17.341 -4.443 -9.028 833 HG SER 105 HG SER 105 19.266 -5.288 -7.168 834 H THR 106 H THR 106 19.054 -2.026 -10.455 835 HA THR 106 HA THR 106 21.004 -3.917 -11.447 836 HB THR 106 HB THR 106 20.686 -2.557 -13.583 837 HG1 THR 106 HG1 THR 106 19.376 -0.887 -13.518 838 HG21 THR 106 HG21 THR 106 18.507 -3.587 -14.082 839 HG22 THR 106 HG22 THR 106 18.267 -3.898 -12.364 840 HG23 THR 106 HG23 THR 106 19.573 -4.705 -13.231 841 H THR 107 H THR 107 22.427 -2.446 -13.171 842 HA THR 107 HA THR 107 23.710 -0.310 -11.615 843 HB THR 107 HB THR 107 25.248 -2.387 -13.190 844 HG1 THR 107 HG1 THR 107 24.229 -2.475 -10.674 845 HG21 THR 107 HG21 THR 107 27.208 -1.397 -12.100 846 HG22 THR 107 HG22 THR 107 26.170 -0.228 -11.281 847 HG23 THR 107 HG23 THR 107 26.333 -0.185 -13.037 848 H LYS 108 H LYS 108 24.229 -1.869 -14.794 849 HA LYS 108 HA LYS 108 24.044 0.780 -16.018 850 HB2 LYS 108 HB2 LYS 108 25.191 -1.803 -17.084 851 HB3 LYS 108 HB3 LYS 108 25.123 -0.289 -17.979 852 HG2 LYS 108 HG2 LYS 108 26.651 -0.815 -15.442 853 HG3 LYS 108 HG3 LYS 108 27.312 -0.575 -17.058 854 HD2 LYS 108 HD2 LYS 108 25.742 1.472 -15.502 855 HD3 LYS 108 HD3 LYS 108 27.496 1.452 -15.675 856 HE2 LYS 108 HE2 LYS 108 27.161 1.577 -18.148 857 HE3 LYS 108 HE3 LYS 108 25.445 1.822 -17.848 858 HZ1 LYS 108 HZ1 LYS 108 27.577 3.575 -16.763 859 HZ2 LYS 108 HZ2 LYS 108 25.905 3.840 -16.694 860 HZ3 LYS 108 HZ3 LYS 108 26.715 3.904 -18.185 861 H ALA 109 H ALA 109 22.015 1.187 -16.441 862 HA ALA 109 HA ALA 109 20.339 -0.879 -17.704 863 HB1 ALA 109 HB1 ALA 109 19.550 1.746 -16.435 864 HB2 ALA 109 HB2 ALA 109 19.393 0.150 -15.702 865 HB3 ALA 109 HB3 ALA 109 18.438 0.564 -17.126 866 H ARG 110 H ARG 110 22.065 1.983 -18.260 867 HA ARG 110 HA ARG 110 20.615 2.768 -20.643 868 HB2 ARG 110 HB2 ARG 110 21.727 4.349 -18.992 869 HB3 ARG 110 HB3 ARG 110 23.268 3.791 -19.623 870 HG2 ARG 110 HG2 ARG 110 22.857 4.750 -21.738 871 HG3 ARG 110 HG3 ARG 110 21.149 5.019 -21.362 872 HD2 ARG 110 HD2 ARG 110 21.827 6.567 -19.561 873 HD3 ARG 110 HD3 ARG 110 23.509 6.351 -20.038 874 HE ARG 110 HE ARG 110 23.169 7.772 -21.802 875 HH11 ARG 110 HH11 ARG 110 20.058 6.759 -20.538 876 HH12 ARG 110 HH12 ARG 110 19.167 7.993 -21.380 877 HH21 ARG 110 HH21 ARG 110 22.008 9.429 -22.876 878 HH22 ARG 110 HH22 ARG 110 20.280 9.522 -22.703 879 H HIS 111 H HIS 111 21.179 2.228 -22.711 880 HA HIS 111 HA HIS 111 23.574 0.531 -22.980 881 HB2 HIS 111 HB2 HIS 111 22.441 -0.725 -24.741 882 HB3 HIS 111 HB3 HIS 111 21.523 -0.790 -23.245 883 HD1 HIS 111 HD1 HIS 111 19.109 -0.533 -23.589 884 HD2 HIS 111 HD2 HIS 111 21.277 1.442 -26.535 885 HE1 HIS 111 HE1 HIS 111 17.399 0.430 -25.163 886 HE2 HIS 111 HE2 HIS 111 18.735 1.471 -27.025 887 H TYR 112 H TYR 112 24.384 0.421 -25.276 888 HA TYR 112 HA TYR 112 24.046 3.000 -26.641 889 HB2 TYR 112 HB2 TYR 112 26.652 1.557 -26.101 890 HB3 TYR 112 HB3 TYR 112 26.486 2.927 -27.195 891 HD1 TYR 112 HD1 TYR 112 26.011 5.166 -26.324 892 HD2 TYR 112 HD2 TYR 112 26.626 1.870 -23.712 893 HE1 TYR 112 HE1 TYR 112 26.321 6.723 -24.447 894 HE2 TYR 112 HE2 TYR 112 26.945 3.416 -21.829 895 HH TYR 112 HH TYR 112 26.180 6.746 -22.031 896 HA PRO 113 HA PRO 113 23.405 0.096 -30.026 897 HB2 PRO 113 HB2 PRO 113 22.421 1.935 -31.744 898 HB3 PRO 113 HB3 PRO 113 21.441 1.240 -30.449 899 HG2 PRO 113 HG2 PRO 113 22.842 3.879 -30.551 900 HG3 PRO 113 HG3 PRO 113 21.221 3.492 -29.944 901 HD2 PRO 113 HD2 PRO 113 23.387 3.822 -28.320 902 HD3 PRO 113 HD3 PRO 113 22.018 2.770 -27.917 903 H LEU 114 H LEU 114 24.007 0.438 -32.489 904 HA LEU 114 HA LEU 114 26.796 1.149 -32.520 905 HB2 LEU 114 HB2 LEU 114 24.928 0.080 -34.617 906 HB3 LEU 114 HB3 LEU 114 26.560 0.583 -35.007 907 HG LEU 114 HG LEU 114 27.354 -1.085 -33.261 908 HD11 LEU 114 HD11 LEU 114 25.854 -2.921 -32.721 909 HD12 LEU 114 HD12 LEU 114 24.532 -2.104 -33.552 910 HD13 LEU 114 HD13 LEU 114 25.229 -1.396 -32.095 911 HD21 LEU 114 HD21 LEU 114 25.914 -2.104 -35.705 912 HD22 LEU 114 HD22 LEU 114 27.173 -2.961 -34.816 913 HD23 LEU 114 HD23 LEU 114 27.554 -1.456 -35.656 914 H GLU 115 H GLU 115 23.890 2.276 -34.213 915 HA GLU 115 HA GLU 115 23.335 4.225 -35.212 916 HB2 GLU 115 HB2 GLU 115 25.463 5.334 -33.385 917 HB3 GLU 115 HB3 GLU 115 24.401 6.324 -34.374 918 HG2 GLU 115 HG2 GLU 115 22.493 5.075 -33.171 919 HG3 GLU 115 HG3 GLU 115 23.738 4.645 -31.997 920 H HIS 116 H HIS 116 25.658 2.525 -36.156 921 HA HIS 116 HA HIS 116 27.059 4.508 -37.795 922 HB2 HIS 116 HB2 HIS 116 28.305 2.657 -36.533 923 HB3 HIS 116 HB3 HIS 116 27.620 1.540 -37.709 924 HD1 HIS 116 HD1 HIS 116 29.831 0.926 -38.827 925 HD2 HIS 116 HD2 HIS 116 29.078 5.019 -38.790 926 HE1 HIS 116 HE1 HIS 116 31.575 1.954 -40.321 927 HE2 HIS 116 HE2 HIS 116 31.012 4.413 -40.398 928 H HIS 117 H HIS 117 24.241 3.211 -37.928 929 HA HIS 117 HA HIS 117 24.303 2.461 -40.774 930 HB2 HIS 117 HB2 HIS 117 22.306 1.867 -38.582 931 HB3 HIS 117 HB3 HIS 117 21.924 1.647 -40.283 932 HD1 HIS 117 HD1 HIS 117 22.345 -0.611 -41.157 933 HD2 HIS 117 HD2 HIS 117 24.689 0.211 -37.819 934 HE1 HIS 117 HE1 HIS 117 23.577 -2.745 -40.647 935 HE2 HIS 117 HE2 HIS 117 24.797 -2.291 -38.491 936 H HIS 118 H HIS 118 23.955 4.217 -41.999 937 HA HIS 118 HA HIS 118 22.286 6.387 -41.025 938 HB2 HIS 118 HB2 HIS 118 23.783 6.014 -43.628 939 HB3 HIS 118 HB3 HIS 118 22.825 7.440 -43.240 940 HD1 HIS 118 HD1 HIS 118 23.742 9.018 -41.375 941 HD2 HIS 118 HD2 HIS 118 26.275 5.889 -42.427 942 HE1 HIS 118 HE1 HIS 118 25.983 9.600 -40.400 943 HE2 HIS 118 HE2 HIS 118 27.537 7.797 -41.222 944 H HIS 119 H HIS 119 20.199 5.793 -40.953 945 HA HIS 119 HA HIS 119 19.041 4.646 -43.400 946 HB2 HIS 119 HB2 HIS 119 18.872 3.204 -41.395 947 HB3 HIS 119 HB3 HIS 119 17.994 4.484 -40.566 948 HD1 HIS 119 HD1 HIS 119 17.635 2.030 -43.400 949 HD2 HIS 119 HD2 HIS 119 15.290 4.607 -41.127 950 HE1 HIS 119 HE1 HIS 119 15.251 1.496 -44.011 951 HE2 HIS 119 HE2 HIS 119 13.851 3.143 -42.706 952 H HIS 120 H HIS 120 17.946 6.028 -44.568 953 HA HIS 120 HA HIS 120 16.742 8.381 -43.324 954 HB2 HIS 120 HB2 HIS 120 17.999 8.828 -45.332 955 HB3 HIS 120 HB3 HIS 120 17.132 7.579 -46.216 956 HD1 HIS 120 HD1 HIS 120 16.143 9.030 -48.012 957 HD2 HIS 120 HD2 HIS 120 15.314 10.432 -44.183 958 HE1 HIS 120 HE1 HIS 120 14.449 10.863 -48.312 959 HE2 HIS 120 HE2 HIS 120 13.854 11.605 -45.975 960 H HIS 121 H HIS 121 14.791 8.133 -42.507 961 HA HIS 121 HA HIS 121 12.958 6.114 -43.393 962 HB2 HIS 121 HB2 HIS 121 13.079 6.948 -41.043 963 HB3 HIS 121 HB3 HIS 121 12.444 8.495 -41.593 964 HD1 HIS 121 HD1 HIS 121 11.449 5.087 -40.603 965 HD2 HIS 121 HD2 HIS 121 9.687 8.398 -42.406 966 HE1 HIS 121 HE1 HIS 121 8.971 4.682 -40.496 967 HE2 HIS 121 HE2 HIS 121 7.927 6.795 -41.389 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -16.183 -12.438 6.235 2 H2 MET 1 H2 MET 1 -16.926 -12.089 4.751 3 H3 MET 1 H3 MET 1 -16.447 -13.674 5.107 4 HA MET 1 HA MET 1 -18.806 -13.482 5.352 5 HB2 MET 1 HB2 MET 1 -17.320 -13.677 7.979 6 HB3 MET 1 HB3 MET 1 -19.010 -14.120 7.767 7 HG2 MET 1 HG2 MET 1 -18.373 -15.834 6.167 8 HG3 MET 1 HG3 MET 1 -16.681 -15.373 6.332 9 HE1 MET 1 HE1 MET 1 -16.167 -17.967 6.785 10 HE2 MET 1 HE2 MET 1 -17.883 -18.365 6.713 11 HE3 MET 1 HE3 MET 1 -16.912 -18.893 8.087 12 H GLU 2 H GLU 2 -17.149 -11.308 7.660 13 HA GLU 2 HA GLU 2 -19.528 -9.765 8.068 14 HB2 GLU 2 HB2 GLU 2 -16.659 -9.477 8.864 15 HB3 GLU 2 HB3 GLU 2 -17.716 -8.078 8.974 16 HG2 GLU 2 HG2 GLU 2 -17.529 -9.285 11.092 17 HG3 GLU 2 HG3 GLU 2 -19.183 -9.245 10.485 18 H ASN 3 H ASN 3 -20.102 -7.821 7.179 19 HA ASN 3 HA ASN 3 -19.396 -7.565 4.438 20 HB2 ASN 3 HB2 ASN 3 -21.662 -7.070 5.271 21 HB3 ASN 3 HB3 ASN 3 -21.027 -5.690 6.160 22 HD21 ASN 3 HD21 ASN 3 -21.852 -6.971 3.060 23 HD22 ASN 3 HD22 ASN 3 -21.734 -5.482 2.182 24 H SER 4 H SER 4 -17.781 -6.515 3.576 25 HA SER 4 HA SER 4 -16.809 -4.066 4.891 26 HB2 SER 4 HB2 SER 4 -15.168 -6.025 3.258 27 HB3 SER 4 HB3 SER 4 -14.568 -4.573 4.063 28 HG SER 4 HG SER 4 -15.934 -6.313 5.707 29 H GLY 5 H GLY 5 -18.938 -4.253 3.059 30 HA2 GLY 5 HA2 GLY 5 -18.016 -3.805 0.372 31 HA3 GLY 5 HA3 GLY 5 -19.675 -3.708 0.937 32 H ALA 6 H ALA 6 -16.726 -1.958 1.794 33 HA ALA 6 HA ALA 6 -17.942 0.526 0.806 34 HB1 ALA 6 HB1 ALA 6 -18.171 0.563 3.225 35 HB2 ALA 6 HB2 ALA 6 -16.950 1.733 2.722 36 HB3 ALA 6 HB3 ALA 6 -16.458 0.188 3.415 37 H TYR 7 H TYR 7 -16.551 1.772 -0.362 38 HA TYR 7 HA TYR 7 -14.085 0.438 -1.097 39 HB2 TYR 7 HB2 TYR 7 -15.471 2.810 -2.356 40 HB3 TYR 7 HB3 TYR 7 -14.057 1.988 -3.007 41 HD1 TYR 7 HD2 TYR 7 -14.261 -0.359 -3.813 42 HD2 TYR 7 HD1 TYR 7 -17.658 1.923 -2.663 43 HE1 TYR 7 HE2 TYR 7 -15.719 -1.945 -4.996 44 HE2 TYR 7 HE1 TYR 7 -19.124 0.342 -3.838 45 HH TYR 7 HH TYR 7 -18.073 -2.685 -4.918 46 H THR 8 H THR 8 -12.600 0.853 0.405 47 HA THR 8 HA THR 8 -11.819 3.673 0.808 48 HB THR 8 HB THR 8 -10.754 2.970 2.894 49 HG1 THR 8 HG1 THR 8 -11.717 0.553 3.326 50 HG21 THR 8 HG21 THR 8 -13.089 3.650 3.033 51 HG22 THR 8 HG22 THR 8 -12.755 2.369 4.199 52 HG23 THR 8 HG23 THR 8 -13.608 1.999 2.701 53 H PHE 9 H PHE 9 -9.277 3.372 1.702 54 HA PHE 9 HA PHE 9 -7.768 2.585 -0.582 55 HB2 PHE 9 HB2 PHE 9 -7.084 4.347 1.081 56 HB3 PHE 9 HB3 PHE 9 -6.769 3.062 2.239 57 HD1 PHE 9 HD1 PHE 9 -5.652 4.666 -0.850 58 HD2 PHE 9 HD2 PHE 9 -4.823 1.663 2.044 59 HE1 PHE 9 HE1 PHE 9 -3.364 4.461 -1.729 60 HE2 PHE 9 HE2 PHE 9 -2.532 1.449 1.172 61 HZ PHE 9 HZ PHE 9 -1.800 2.849 -0.715 62 H GLU 10 H GLU 10 -8.849 1.014 2.312 63 HA GLU 10 HA GLU 10 -6.990 -1.136 2.355 64 HB2 GLU 10 HB2 GLU 10 -8.398 -0.464 4.308 65 HB3 GLU 10 HB3 GLU 10 -9.810 -1.078 3.457 66 HG2 GLU 10 HG2 GLU 10 -8.226 -3.246 3.346 67 HG3 GLU 10 HG3 GLU 10 -7.654 -2.524 4.848 68 H THR 11 H THR 11 -10.204 -0.692 0.988 69 HA THR 11 HA THR 11 -10.900 -3.292 0.423 70 HB THR 11 HB THR 11 -11.594 -1.063 -1.461 71 HG1 THR 11 HG1 THR 11 -13.259 -1.200 0.672 72 HG21 THR 11 HG21 THR 11 -12.521 -3.301 -1.883 73 HG22 THR 11 HG22 THR 11 -13.781 -2.147 -1.447 74 HG23 THR 11 HG23 THR 11 -13.207 -3.318 -0.259 75 H ILE 12 H ILE 12 -9.136 -1.038 -1.705 76 HA ILE 12 HA ILE 12 -9.119 -2.831 -3.913 77 HB ILE 12 HB ILE 12 -7.414 -0.388 -3.403 78 HG12 ILE 12 HG12 ILE 12 -9.982 -0.794 -4.960 79 HG13 ILE 12 HG13 ILE 12 -9.815 0.088 -3.448 80 HG21 ILE 12 HG21 ILE 12 -6.394 -1.875 -5.061 81 HG22 ILE 12 HG22 ILE 12 -6.993 -0.397 -5.812 82 HG23 ILE 12 HG23 ILE 12 -7.904 -1.898 -5.971 83 HD11 ILE 12 HD11 ILE 12 -8.574 0.859 -6.078 84 HD12 ILE 12 HD12 ILE 12 -8.438 1.755 -4.564 85 HD13 ILE 12 HD13 ILE 12 -10.008 1.587 -5.354 86 H ALA 13 H ALA 13 -6.703 -2.026 -1.430 87 HA ALA 13 HA ALA 13 -4.689 -3.745 -2.496 88 HB1 ALA 13 HB1 ALA 13 -3.533 -3.402 -0.380 89 HB2 ALA 13 HB2 ALA 13 -4.989 -2.692 0.318 90 HB3 ALA 13 HB3 ALA 13 -4.153 -1.874 -1.003 91 H ARG 14 H ARG 14 -7.370 -4.125 -0.356 92 HA ARG 14 HA ARG 14 -6.709 -6.635 0.776 93 HB2 ARG 14 HB2 ARG 14 -8.340 -5.197 1.801 94 HB3 ARG 14 HB3 ARG 14 -9.326 -5.197 0.352 95 HG2 ARG 14 HG2 ARG 14 -9.746 -7.603 0.681 96 HG3 ARG 14 HG3 ARG 14 -8.837 -7.522 2.193 97 HD2 ARG 14 HD2 ARG 14 -10.391 -5.876 3.059 98 HD3 ARG 14 HD3 ARG 14 -11.279 -5.887 1.541 99 HE ARG 14 HE ARG 14 -11.504 -8.431 2.190 100 HH11 ARG 14 HH11 ARG 14 -11.669 -5.644 4.312 101 HH12 ARG 14 HH12 ARG 14 -12.945 -6.302 5.292 102 HH21 ARG 14 HH21 ARG 14 -13.143 -9.333 3.522 103 HH22 ARG 14 HH22 ARG 14 -13.764 -8.413 4.858 104 H GLU 15 H GLU 15 -8.348 -5.628 -2.126 105 HA GLU 15 HA GLU 15 -9.803 -7.884 -2.779 106 HB2 GLU 15 HB2 GLU 15 -9.295 -5.448 -3.935 107 HB3 GLU 15 HB3 GLU 15 -8.537 -6.553 -5.073 108 HG2 GLU 15 HG2 GLU 15 -11.377 -6.737 -4.133 109 HG3 GLU 15 HG3 GLU 15 -10.867 -5.978 -5.635 110 H TRP 16 H TRP 16 -6.600 -7.047 -4.110 111 HA TRP 16 HA TRP 16 -6.285 -9.661 -5.223 112 HB2 TRP 16 HB2 TRP 16 -3.901 -8.865 -5.685 113 HB3 TRP 16 HB3 TRP 16 -5.205 -7.974 -6.457 114 HD1 TRP 16 HD1 TRP 16 -5.324 -5.420 -6.019 115 HE1 TRP 16 HE1 TRP 16 -3.967 -3.777 -4.581 116 HE3 TRP 16 HE3 TRP 16 -2.520 -8.775 -3.350 117 HZ2 TRP 16 HZ2 TRP 16 -1.973 -3.884 -2.596 118 HZ3 TRP 16 HZ3 TRP 16 -0.903 -7.912 -1.712 119 HH2 TRP 16 HH2 TRP 16 -0.638 -5.519 -1.344 120 H HIS 17 H HIS 17 -5.436 -8.198 -2.183 121 HA HIS 17 HA HIS 17 -3.493 -10.094 -1.392 122 HB2 HIS 17 HB2 HIS 17 -3.759 -7.980 -0.196 123 HB3 HIS 17 HB3 HIS 17 -5.369 -8.460 0.330 124 HD1 HIS 17 HD1 HIS 17 -5.542 -9.881 2.404 125 HD2 HIS 17 HD2 HIS 17 -1.626 -9.462 1.056 126 HE1 HIS 17 HE1 HIS 17 -4.091 -10.852 4.219 127 HE2 HIS 17 HE2 HIS 17 -1.723 -10.518 3.427 128 H GLU 18 H GLU 18 -6.999 -10.193 -1.416 129 HA GLU 18 HA GLU 18 -7.267 -12.368 0.392 130 HB2 GLU 18 HB2 GLU 18 -9.122 -11.346 -1.761 131 HB3 GLU 18 HB3 GLU 18 -9.550 -12.613 -0.616 132 HG2 GLU 18 HG2 GLU 18 -9.207 -11.048 1.231 133 HG3 GLU 18 HG3 GLU 18 -8.799 -9.782 0.075 134 H SER 19 H SER 19 -6.271 -12.167 -2.868 135 HA SER 19 HA SER 19 -6.876 -14.863 -3.609 136 HB2 SER 19 HB2 SER 19 -4.787 -13.026 -4.796 137 HB3 SER 19 HB3 SER 19 -5.564 -14.404 -5.577 138 HG SER 19 HG SER 19 -7.588 -13.175 -5.212 139 H ASN 20 H ASN 20 -4.542 -13.394 -1.626 140 HA ASN 20 HA ASN 20 -2.607 -15.564 -1.943 141 HB2 ASN 20 HB2 ASN 20 -1.912 -13.124 -1.793 142 HB3 ASN 20 HB3 ASN 20 -2.421 -13.168 -0.109 143 HD21 ASN 20 HD21 ASN 20 -1.151 -14.213 1.395 144 HD22 ASN 20 HD22 ASN 20 0.434 -14.812 1.038 145 H LYS 21 H LYS 21 -5.371 -14.997 -0.310 146 HA LYS 21 HA LYS 21 -6.481 -16.147 1.277 147 HB2 LYS 21 HB2 LYS 21 -3.940 -17.749 1.412 148 HB3 LYS 21 HB3 LYS 21 -5.305 -18.064 2.475 149 HG2 LYS 21 HG2 LYS 21 -5.311 -18.195 -0.533 150 HG3 LYS 21 HG3 LYS 21 -5.368 -19.561 0.585 151 HD2 LYS 21 HD2 LYS 21 -7.507 -18.723 1.467 152 HD3 LYS 21 HD3 LYS 21 -7.454 -17.400 0.301 153 HE2 LYS 21 HE2 LYS 21 -7.423 -19.085 -1.522 154 HE3 LYS 21 HE3 LYS 21 -7.629 -20.346 -0.307 155 HZ1 LYS 21 HZ1 LYS 21 -9.720 -19.301 0.352 156 HZ2 LYS 21 HZ2 LYS 21 -9.742 -19.746 -1.285 157 HZ3 LYS 21 HZ3 LYS 21 -9.521 -18.121 -0.850 158 H ARG 22 H ARG 22 -6.733 -16.365 3.510 159 HA ARG 22 HA ARG 22 -6.768 -15.637 5.607 160 HB2 ARG 22 HB2 ARG 22 -4.537 -16.528 5.875 161 HB3 ARG 22 HB3 ARG 22 -3.839 -15.035 5.249 162 HG2 ARG 22 HG2 ARG 22 -4.597 -13.794 7.132 163 HG3 ARG 22 HG3 ARG 22 -5.585 -15.141 7.699 164 HD2 ARG 22 HD2 ARG 22 -2.594 -15.188 7.475 165 HD3 ARG 22 HD3 ARG 22 -3.468 -14.834 8.965 166 HE ARG 22 HE ARG 22 -3.880 -17.388 7.550 167 HH11 ARG 22 HH11 ARG 22 -2.888 -15.636 10.437 168 HH12 ARG 22 HH12 ARG 22 -2.820 -17.074 11.417 169 HH21 ARG 22 HH21 ARG 22 -3.810 -19.240 8.839 170 HH22 ARG 22 HH22 ARG 22 -3.362 -19.119 10.514 171 H TRP 23 H TRP 23 -7.955 -14.039 5.997 172 HA TRP 23 HA TRP 23 -6.813 -11.350 5.874 173 HB2 TRP 23 HB2 TRP 23 -9.085 -10.467 5.135 174 HB3 TRP 23 HB3 TRP 23 -8.149 -11.304 3.903 175 HD1 TRP 23 HD1 TRP 23 -11.451 -11.414 5.710 176 HE1 TRP 23 HE1 TRP 23 -12.847 -13.399 4.845 177 HE3 TRP 23 HE3 TRP 23 -7.865 -13.769 2.939 178 HZ2 TRP 23 HZ2 TRP 23 -12.466 -15.655 3.202 179 HZ3 TRP 23 HZ3 TRP 23 -8.462 -15.836 1.750 180 HH2 TRP 23 HH2 TRP 23 -10.711 -16.753 1.888 181 H SER 24 H SER 24 -9.694 -13.180 6.870 182 HA SER 24 HA SER 24 -10.868 -13.335 8.784 183 HB2 SER 24 HB2 SER 24 -8.751 -14.155 9.691 184 HB3 SER 24 HB3 SER 24 -8.258 -12.503 10.064 185 HG SER 24 HG SER 24 -10.370 -14.016 11.213 186 H GLU 25 H GLU 25 -12.488 -11.967 9.129 187 HA GLU 25 HA GLU 25 -12.167 -9.153 9.337 188 HB2 GLU 25 HB2 GLU 25 -14.501 -10.892 10.150 189 HB3 GLU 25 HB3 GLU 25 -14.536 -9.137 10.075 190 HG2 GLU 25 HG2 GLU 25 -15.483 -9.680 8.069 191 HG3 GLU 25 HG3 GLU 25 -13.792 -9.513 7.604 192 H ASP 26 H ASP 26 -12.166 -11.750 11.653 193 HA ASP 26 HA ASP 26 -12.520 -10.113 13.974 194 HB2 ASP 26 HB2 ASP 26 -13.013 -12.548 13.932 195 HB3 ASP 26 HB3 ASP 26 -11.295 -12.876 13.740 196 H HIS 27 H HIS 27 -9.722 -11.657 12.443 197 HA HIS 27 HA HIS 27 -7.781 -10.494 14.175 198 HB2 HIS 27 HB2 HIS 27 -7.598 -12.593 12.657 199 HB3 HIS 27 HB3 HIS 27 -7.203 -11.452 11.379 200 HD1 HIS 27 HD1 HIS 27 -5.770 -13.239 14.258 201 HD2 HIS 27 HD2 HIS 27 -4.698 -10.063 11.794 202 HE1 HIS 27 HE1 HIS 27 -3.308 -12.903 14.618 203 HE2 HIS 27 HE2 HIS 27 -2.641 -11.152 12.931 204 H ARG 28 H ARG 28 -9.495 -9.439 11.409 205 HA ARG 28 HA ARG 28 -7.871 -7.752 10.029 206 HB2 ARG 28 HB2 ARG 28 -10.392 -8.338 9.757 207 HB3 ARG 28 HB3 ARG 28 -10.656 -6.877 10.697 208 HG2 ARG 28 HG2 ARG 28 -10.819 -6.358 8.359 209 HG3 ARG 28 HG3 ARG 28 -9.362 -5.606 9.016 210 HD2 ARG 28 HD2 ARG 28 -8.012 -7.435 8.133 211 HD3 ARG 28 HD3 ARG 28 -9.462 -8.207 7.496 212 HE ARG 28 HE ARG 28 -9.469 -5.714 6.372 213 HH11 ARG 28 HH11 ARG 28 -7.210 -8.380 6.480 214 HH12 ARG 28 HH12 ARG 28 -6.514 -8.021 4.935 215 HH21 ARG 28 HH21 ARG 28 -8.583 -5.230 4.350 216 HH22 ARG 28 HH22 ARG 28 -7.286 -6.206 3.718 217 H SER 29 H SER 29 -9.627 -6.907 13.024 218 HA SER 29 HA SER 29 -9.057 -4.192 13.086 219 HB2 SER 29 HB2 SER 29 -9.239 -6.069 15.454 220 HB3 SER 29 HB3 SER 29 -9.445 -4.318 15.501 221 HG SER 29 HG SER 29 -11.233 -4.627 14.029 222 H ARG 30 H ARG 30 -7.031 -6.911 13.913 223 HA ARG 30 HA ARG 30 -4.981 -5.282 15.134 224 HB2 ARG 30 HB2 ARG 30 -5.107 -8.213 14.408 225 HB3 ARG 30 HB3 ARG 30 -3.669 -7.461 15.082 226 HG2 ARG 30 HG2 ARG 30 -4.787 -8.493 16.879 227 HG3 ARG 30 HG3 ARG 30 -5.089 -6.765 17.040 228 HD2 ARG 30 HD2 ARG 30 -7.285 -7.142 15.878 229 HD3 ARG 30 HD3 ARG 30 -6.977 -8.874 16.000 230 HE ARG 30 HE ARG 30 -6.682 -8.034 18.551 231 HH11 ARG 30 HH11 ARG 30 -9.281 -7.788 16.202 232 HH12 ARG 30 HH12 ARG 30 -10.500 -7.512 17.404 233 HH21 ARG 30 HH21 ARG 30 -8.306 -7.684 20.116 234 HH22 ARG 30 HH22 ARG 30 -9.955 -7.466 19.608 235 H VAL 31 H VAL 31 -5.591 -6.876 12.067 236 HA VAL 31 HA VAL 31 -3.066 -6.421 10.880 237 HB VAL 31 HB VAL 31 -5.744 -6.676 9.495 238 HG11 VAL 31 HG11 VAL 31 -4.430 -7.428 7.566 239 HG12 VAL 31 HG12 VAL 31 -2.944 -7.126 8.465 240 HG13 VAL 31 HG13 VAL 31 -4.001 -5.782 8.036 241 HG21 VAL 31 HG21 VAL 31 -5.346 -8.584 10.943 242 HG22 VAL 31 HG22 VAL 31 -3.735 -8.794 10.256 243 HG23 VAL 31 HG23 VAL 31 -5.163 -9.057 9.254 244 H LEU 32 H LEU 32 -6.039 -4.535 11.018 245 HA LEU 32 HA LEU 32 -5.299 -2.516 9.215 246 HB2 LEU 32 HB2 LEU 32 -7.369 -2.870 11.272 247 HB3 LEU 32 HB3 LEU 32 -6.932 -1.202 10.954 248 HG LEU 32 HG LEU 32 -7.492 -1.468 8.598 249 HD11 LEU 32 HD11 LEU 32 -6.889 -3.802 8.292 250 HD12 LEU 32 HD12 LEU 32 -8.551 -3.519 7.778 251 HD13 LEU 32 HD13 LEU 32 -8.230 -4.299 9.325 252 HD21 LEU 32 HD21 LEU 32 -9.902 -1.762 8.830 253 HD22 LEU 32 HD22 LEU 32 -9.245 -0.791 10.149 254 HD23 LEU 32 HD23 LEU 32 -9.665 -2.483 10.421 255 H ARG 33 H ARG 33 -4.721 -2.845 12.686 256 HA ARG 33 HA ARG 33 -3.545 -0.256 12.959 257 HB2 ARG 33 HB2 ARG 33 -4.387 -2.190 14.718 258 HB3 ARG 33 HB3 ARG 33 -2.638 -2.332 14.834 259 HG2 ARG 33 HG2 ARG 33 -4.189 0.224 15.204 260 HG3 ARG 33 HG3 ARG 33 -3.599 -0.805 16.508 261 HD2 ARG 33 HD2 ARG 33 -1.322 -0.402 15.879 262 HD3 ARG 33 HD3 ARG 33 -1.827 0.456 14.424 263 HE ARG 33 HE ARG 33 -2.968 1.971 16.265 264 HH11 ARG 33 HH11 ARG 33 0.236 0.539 16.279 265 HH12 ARG 33 HH12 ARG 33 0.953 1.853 17.173 266 HH21 ARG 33 HH21 ARG 33 -2.033 3.690 17.425 267 HH22 ARG 33 HH22 ARG 33 -0.337 3.659 17.814 268 H TYR 34 H TYR 34 -2.459 -3.404 12.032 269 HA TYR 34 HA TYR 34 0.334 -2.986 12.286 270 HB2 TYR 34 HB2 TYR 34 -0.576 -5.221 12.247 271 HB3 TYR 34 HB3 TYR 34 -1.293 -4.953 10.667 272 HD1 TYR 34 HD2 TYR 34 1.997 -5.143 12.399 273 HD2 TYR 34 HD1 TYR 34 -0.148 -5.580 8.752 274 HE1 TYR 34 HE2 TYR 34 3.992 -6.123 11.347 275 HE2 TYR 34 HE1 TYR 34 1.838 -6.563 7.689 276 HH TYR 34 HH TYR 34 4.662 -7.433 9.528 277 H LEU 35 H LEU 35 -1.906 -2.765 9.524 278 HA LEU 35 HA LEU 35 0.156 -2.231 7.652 279 HB2 LEU 35 HB2 LEU 35 -1.748 -1.541 6.142 280 HB3 LEU 35 HB3 LEU 35 -1.771 -3.182 6.748 281 HG LEU 35 HG LEU 35 -3.394 -2.255 8.547 282 HD11 LEU 35 HD11 LEU 35 -4.745 -0.372 7.817 283 HD12 LEU 35 HD12 LEU 35 -3.689 -0.142 6.422 284 HD13 LEU 35 HD13 LEU 35 -3.063 0.111 8.051 285 HD21 LEU 35 HD21 LEU 35 -5.293 -2.643 7.053 286 HD22 LEU 35 HD22 LEU 35 -4.019 -3.841 6.821 287 HD23 LEU 35 HD23 LEU 35 -4.216 -2.528 5.661 288 H GLU 36 H GLU 36 -1.506 -0.189 9.866 289 HA GLU 36 HA GLU 36 -1.136 2.268 8.481 290 HB2 GLU 36 HB2 GLU 36 -1.532 1.675 11.413 291 HB3 GLU 36 HB3 GLU 36 -1.441 3.302 10.756 292 HG2 GLU 36 HG2 GLU 36 -3.407 2.796 9.347 293 HG3 GLU 36 HG3 GLU 36 -3.513 1.217 10.126 294 H LEU 37 H LEU 37 0.895 0.328 10.553 295 HA LEU 37 HA LEU 37 2.828 2.527 10.737 296 HB2 LEU 37 HB2 LEU 37 2.400 0.049 12.370 297 HB3 LEU 37 HB3 LEU 37 3.931 0.899 12.419 298 HG LEU 37 HG LEU 37 2.691 2.952 13.143 299 HD11 LEU 37 HD11 LEU 37 0.476 2.377 12.311 300 HD12 LEU 37 HD12 LEU 37 0.442 2.690 14.046 301 HD13 LEU 37 HD13 LEU 37 0.387 1.031 13.448 302 HD21 LEU 37 HD21 LEU 37 2.437 0.514 14.898 303 HD22 LEU 37 HD22 LEU 37 2.412 2.191 15.445 304 HD23 LEU 37 HD23 LEU 37 3.873 1.522 14.719 305 H TYR 38 H TYR 38 2.447 -0.736 9.521 306 HA TYR 38 HA TYR 38 5.315 -0.918 9.005 307 HB2 TYR 38 HB2 TYR 38 3.963 -2.784 10.088 308 HB3 TYR 38 HB3 TYR 38 3.256 -3.058 8.501 309 HD1 TYR 38 HD2 TYR 38 6.293 -3.310 10.527 310 HD2 TYR 38 HD1 TYR 38 4.572 -4.053 6.705 311 HE1 TYR 38 HE2 TYR 38 8.196 -4.757 9.958 312 HE2 TYR 38 HE1 TYR 38 6.475 -5.500 6.126 313 HH TYR 38 HH TYR 38 8.808 -5.828 6.795 314 H ILE 39 H ILE 39 2.271 -0.630 7.280 315 HA ILE 39 HA ILE 39 3.636 -1.203 4.757 316 HB ILE 39 HB ILE 39 0.678 -0.765 5.169 317 HG12 ILE 39 HG12 ILE 39 1.423 -2.714 6.455 318 HG13 ILE 39 HG13 ILE 39 0.456 -3.210 5.071 319 HG21 ILE 39 HG21 ILE 39 1.454 -0.400 2.883 320 HG22 ILE 39 HG22 ILE 39 0.456 -1.850 2.994 321 HG23 ILE 39 HG23 ILE 39 2.210 -1.993 2.880 322 HD11 ILE 39 HD11 ILE 39 2.491 -3.810 3.866 323 HD12 ILE 39 HD12 ILE 39 2.362 -4.675 5.398 324 HD13 ILE 39 HD13 ILE 39 3.459 -3.303 5.250 325 H PHE 40 H PHE 40 1.235 1.219 5.885 326 HA PHE 40 HA PHE 40 2.765 3.211 4.371 327 HB2 PHE 40 HB2 PHE 40 0.423 4.270 3.881 328 HB3 PHE 40 HB3 PHE 40 1.045 2.982 2.860 329 HD1 PHE 40 HD1 PHE 40 -1.339 3.756 5.580 330 HD2 PHE 40 HD2 PHE 40 -0.086 0.920 2.668 331 HE1 PHE 40 HE1 PHE 40 -3.400 2.470 5.949 332 HE2 PHE 40 HE2 PHE 40 -2.144 -0.377 3.039 333 HZ PHE 40 HZ PHE 40 -3.806 0.398 4.677 334 HA PRO 41 HA PRO 41 2.195 4.620 8.679 335 HB2 PRO 41 HB2 PRO 41 4.788 5.906 8.252 336 HB3 PRO 41 HB3 PRO 41 4.322 4.708 9.460 337 HG2 PRO 41 HG2 PRO 41 5.976 4.121 7.408 338 HG3 PRO 41 HG3 PRO 41 4.856 2.931 8.099 339 HD2 PRO 41 HD2 PRO 41 4.593 4.557 5.594 340 HD3 PRO 41 HD3 PRO 41 4.189 2.849 5.877 341 H HIS 42 H HIS 42 3.877 6.707 6.294 342 HA HIS 42 HA HIS 42 2.302 8.949 7.346 343 HB2 HIS 42 HB2 HIS 42 4.943 8.855 5.899 344 HB3 HIS 42 HB3 HIS 42 4.037 10.354 6.090 345 HD1 HIS 42 HD1 HIS 42 6.892 9.545 7.422 346 HD2 HIS 42 HD2 HIS 42 3.166 9.742 9.275 347 HE1 HIS 42 HE1 HIS 42 7.359 9.885 9.871 348 HE2 HIS 42 HE2 HIS 42 5.100 9.881 10.983 349 H ILE 43 H ILE 43 2.385 6.868 4.738 350 HA ILE 43 HA ILE 43 1.196 8.866 2.949 351 HB ILE 43 HB ILE 43 1.474 7.158 1.150 352 HG12 ILE 43 HG12 ILE 43 3.130 5.707 3.233 353 HG13 ILE 43 HG13 ILE 43 1.566 5.170 2.631 354 HG21 ILE 43 HG21 ILE 43 3.968 8.035 2.596 355 HG22 ILE 43 HG22 ILE 43 3.063 8.961 1.399 356 HG23 ILE 43 HG23 ILE 43 3.904 7.487 0.924 357 HD11 ILE 43 HD11 ILE 43 4.074 5.475 0.994 358 HD12 ILE 43 HD12 ILE 43 2.509 4.931 0.392 359 HD13 ILE 43 HD13 ILE 43 3.386 3.958 1.574 360 H GLY 44 H GLY 44 0.203 6.817 5.232 361 HA2 GLY 44 HA2 GLY 44 -2.063 5.663 3.826 362 HA3 GLY 44 HA3 GLY 44 -1.689 5.479 5.535 363 H SER 45 H SER 45 -1.395 8.665 4.770 364 HA SER 45 HA SER 45 -4.007 9.293 5.911 365 HB2 SER 45 HB2 SER 45 -1.610 11.083 5.422 366 HB3 SER 45 HB3 SER 45 -3.059 11.508 6.335 367 HG SER 45 HG SER 45 -0.878 10.403 7.278 368 H SER 46 H SER 46 -3.171 8.610 2.973 369 HA SER 46 HA SER 46 -4.663 10.840 1.766 370 HB2 SER 46 HB2 SER 46 -2.180 10.840 1.204 371 HB3 SER 46 HB3 SER 46 -2.453 9.316 0.363 372 HG SER 46 HG SER 46 -3.427 10.342 -1.217 373 H ASP 47 H ASP 47 -6.086 10.290 0.106 374 HA ASP 47 HA ASP 47 -7.051 7.572 0.166 375 HB2 ASP 47 HB2 ASP 47 -8.674 9.375 0.168 376 HB3 ASP 47 HB3 ASP 47 -8.007 10.028 -1.322 377 H ILE 48 H ILE 48 -7.385 6.296 -1.761 378 HA ILE 48 HA ILE 48 -4.932 6.137 -3.219 379 HB ILE 48 HB ILE 48 -6.197 4.140 -2.477 380 HG12 ILE 48 HG12 ILE 48 -5.868 4.261 -5.480 381 HG13 ILE 48 HG13 ILE 48 -4.541 4.046 -4.343 382 HG21 ILE 48 HG21 ILE 48 -8.144 4.934 -4.637 383 HG22 ILE 48 HG22 ILE 48 -8.454 4.911 -2.899 384 HG23 ILE 48 HG23 ILE 48 -8.156 3.403 -3.764 385 HD11 ILE 48 HD11 ILE 48 -5.547 1.954 -3.583 386 HD12 ILE 48 HD12 ILE 48 -5.204 1.933 -5.312 387 HD13 ILE 48 HD13 ILE 48 -6.857 2.170 -4.744 388 H ARG 49 H ARG 49 -7.857 7.752 -3.737 389 HA ARG 49 HA ARG 49 -7.991 7.855 -6.548 390 HB2 ARG 49 HB2 ARG 49 -9.718 8.643 -4.870 391 HB3 ARG 49 HB3 ARG 49 -8.724 10.070 -4.632 392 HG2 ARG 49 HG2 ARG 49 -8.966 10.514 -7.094 393 HG3 ARG 49 HG3 ARG 49 -10.178 9.228 -7.121 394 HD2 ARG 49 HD2 ARG 49 -10.255 11.869 -5.706 395 HD3 ARG 49 HD3 ARG 49 -11.435 11.170 -6.817 396 HE ARG 49 HE ARG 49 -11.369 9.460 -4.671 397 HH11 ARG 49 HH11 ARG 49 -12.000 12.876 -5.101 398 HH12 ARG 49 HH12 ARG 49 -13.106 12.967 -3.758 399 HH21 ARG 49 HH21 ARG 49 -12.751 9.585 -2.867 400 HH22 ARG 49 HH22 ARG 49 -13.498 11.107 -2.460 401 H GLN 50 H GLN 50 -5.862 9.287 -4.265 402 HA GLN 50 HA GLN 50 -4.622 10.891 -6.384 403 HB2 GLN 50 HB2 GLN 50 -5.815 12.407 -4.866 404 HB3 GLN 50 HB3 GLN 50 -4.971 11.711 -3.492 405 HG2 GLN 50 HG2 GLN 50 -3.981 13.824 -4.080 406 HG3 GLN 50 HG3 GLN 50 -2.841 12.519 -4.405 407 HE21 GLN 50 HE21 GLN 50 -2.324 12.009 -6.547 408 HE22 GLN 50 HE22 GLN 50 -2.686 13.086 -7.857 409 H LEU 51 H LEU 51 -3.363 8.982 -6.621 410 HA LEU 51 HA LEU 51 -1.526 8.301 -4.482 411 HB2 LEU 51 HB2 LEU 51 -2.672 6.941 -6.640 412 HB3 LEU 51 HB3 LEU 51 -0.970 7.078 -7.049 413 HG LEU 51 HG LEU 51 -1.458 4.963 -5.912 414 HD11 LEU 51 HD11 LEU 51 0.174 6.838 -4.208 415 HD12 LEU 51 HD12 LEU 51 0.750 5.948 -5.618 416 HD13 LEU 51 HD13 LEU 51 0.245 5.076 -4.172 417 HD21 LEU 51 HD21 LEU 51 -2.143 4.939 -3.567 418 HD22 LEU 51 HD22 LEU 51 -3.365 5.697 -4.587 419 HD23 LEU 51 HD23 LEU 51 -2.304 6.694 -3.593 420 H LYS 52 H LYS 52 0.850 8.209 -5.020 421 HA LYS 52 HA LYS 52 1.570 10.559 -6.639 422 HB2 LYS 52 HB2 LYS 52 2.776 9.722 -3.990 423 HB3 LYS 52 HB3 LYS 52 3.305 11.084 -4.969 424 HG2 LYS 52 HG2 LYS 52 0.556 10.817 -3.768 425 HG3 LYS 52 HG3 LYS 52 1.886 11.724 -3.045 426 HD2 LYS 52 HD2 LYS 52 1.964 13.197 -4.972 427 HD3 LYS 52 HD3 LYS 52 0.704 12.254 -5.773 428 HE2 LYS 52 HE2 LYS 52 -0.895 12.873 -4.086 429 HE3 LYS 52 HE3 LYS 52 0.353 13.675 -3.137 430 HZ1 LYS 52 HZ1 LYS 52 -0.477 14.517 -5.865 431 HZ2 LYS 52 HZ2 LYS 52 0.606 15.323 -4.838 432 HZ3 LYS 52 HZ3 LYS 52 -1.038 15.222 -4.426 433 H THR 53 H THR 53 3.783 10.596 -7.376 434 HA THR 53 HA THR 53 4.695 8.092 -8.400 435 HB THR 53 HB THR 53 6.678 9.635 -9.116 436 HG1 THR 53 HG1 THR 53 5.698 11.883 -9.221 437 HG21 THR 53 HG21 THR 53 5.361 10.473 -11.002 438 HG22 THR 53 HG22 THR 53 3.872 10.101 -10.133 439 HG23 THR 53 HG23 THR 53 4.950 8.798 -10.635 440 H SER 54 H SER 54 7.492 8.505 -8.284 441 HA SER 54 HA SER 54 8.168 6.859 -6.191 442 HB2 SER 54 HB2 SER 54 10.054 8.823 -7.491 443 HB3 SER 54 HB3 SER 54 10.439 7.239 -6.817 444 HG SER 54 HG SER 54 10.266 6.919 -8.978 445 H HIS 55 H HIS 55 7.515 10.194 -5.924 446 HA HIS 55 HA HIS 55 9.204 10.991 -3.839 447 HB2 HIS 55 HB2 HIS 55 6.316 11.801 -4.265 448 HB3 HIS 55 HB3 HIS 55 7.483 12.650 -3.262 449 HD1 HIS 55 HD1 HIS 55 9.229 14.130 -4.467 450 HD2 HIS 55 HD2 HIS 55 6.581 12.186 -7.012 451 HE1 HIS 55 HE1 HIS 55 9.479 15.266 -6.696 452 HE2 HIS 55 HE2 HIS 55 8.022 13.938 -8.270 453 H LEU 56 H LEU 56 6.234 9.104 -3.828 454 HA LEU 56 HA LEU 56 5.922 9.188 -0.982 455 HB2 LEU 56 HB2 LEU 56 3.939 8.186 -1.304 456 HB3 LEU 56 HB3 LEU 56 4.213 8.610 -2.979 457 HG LEU 56 HG LEU 56 4.949 5.916 -1.832 458 HD11 LEU 56 HD11 LEU 56 2.420 6.742 -3.248 459 HD12 LEU 56 HD12 LEU 56 2.561 6.266 -1.555 460 HD13 LEU 56 HD13 LEU 56 2.878 5.089 -2.831 461 HD21 LEU 56 HD21 LEU 56 6.072 6.548 -3.924 462 HD22 LEU 56 HD22 LEU 56 4.500 6.836 -4.670 463 HD23 LEU 56 HD23 LEU 56 4.949 5.208 -4.157 464 H LEU 57 H LEU 57 7.937 7.440 -3.036 465 HA LEU 57 HA LEU 57 8.079 5.022 -1.500 466 HB2 LEU 57 HB2 LEU 57 8.533 5.030 -3.901 467 HB3 LEU 57 HB3 LEU 57 9.885 6.117 -3.655 468 HG LEU 57 HG LEU 57 11.058 4.370 -2.382 469 HD11 LEU 57 HD11 LEU 57 8.730 2.620 -3.144 470 HD12 LEU 57 HD12 LEU 57 9.114 3.182 -1.518 471 HD13 LEU 57 HD13 LEU 57 10.216 2.090 -2.357 472 HD21 LEU 57 HD21 LEU 57 10.116 3.547 -5.124 473 HD22 LEU 57 HD22 LEU 57 11.511 2.870 -4.284 474 HD23 LEU 57 HD23 LEU 57 11.500 4.571 -4.746 475 H ALA 58 H ALA 58 9.503 8.133 -1.308 476 HA ALA 58 HA ALA 58 11.990 7.570 -0.197 477 HB1 ALA 58 HB1 ALA 58 11.336 9.799 -0.955 478 HB2 ALA 58 HB2 ALA 58 11.968 9.831 0.690 479 HB3 ALA 58 HB3 ALA 58 10.229 9.941 0.411 480 HA PRO 59 HA PRO 59 9.854 7.738 4.262 481 HB2 PRO 59 HB2 PRO 59 7.184 6.761 3.379 482 HB3 PRO 59 HB3 PRO 59 7.610 7.857 4.693 483 HG2 PRO 59 HG2 PRO 59 6.559 8.807 2.449 484 HG3 PRO 59 HG3 PRO 59 7.871 9.679 3.266 485 HD2 PRO 59 HD2 PRO 59 7.967 7.953 0.828 486 HD3 PRO 59 HD3 PRO 59 8.843 9.457 1.180 487 H ILE 60 H ILE 60 8.555 5.452 1.870 488 HA ILE 60 HA ILE 60 8.611 3.203 3.595 489 HB ILE 60 HB ILE 60 8.619 3.249 0.570 490 HG12 ILE 60 HG12 ILE 60 6.750 4.546 1.434 491 HG13 ILE 60 HG13 ILE 60 6.162 3.025 0.773 492 HG21 ILE 60 HG21 ILE 60 7.599 1.033 0.736 493 HG22 ILE 60 HG22 ILE 60 7.753 1.091 2.491 494 HG23 ILE 60 HG23 ILE 60 9.199 1.065 1.481 495 HD11 ILE 60 HD11 ILE 60 5.034 3.595 2.844 496 HD12 ILE 60 HD12 ILE 60 6.581 3.633 3.691 497 HD13 ILE 60 HD13 ILE 60 5.976 2.115 3.024 498 H LYS 61 H LYS 61 10.922 4.718 1.505 499 HA LYS 61 HA LYS 61 12.671 2.482 1.215 500 HB2 LYS 61 HB2 LYS 61 12.493 4.764 -0.134 501 HB3 LYS 61 HB3 LYS 61 13.724 5.267 1.018 502 HG2 LYS 61 HG2 LYS 61 14.688 4.426 -1.073 503 HG3 LYS 61 HG3 LYS 61 15.166 3.452 0.320 504 HD2 LYS 61 HD2 LYS 61 13.592 1.745 -0.242 505 HD3 LYS 61 HD3 LYS 61 12.858 2.755 -1.485 506 HE2 LYS 61 HE2 LYS 61 14.276 1.059 -2.492 507 HE3 LYS 61 HE3 LYS 61 14.948 2.663 -2.774 508 HZ1 LYS 61 HZ1 LYS 61 16.600 0.951 -2.117 509 HZ2 LYS 61 HZ2 LYS 61 15.852 0.855 -0.596 510 HZ3 LYS 61 HZ3 LYS 61 16.576 2.303 -1.098 511 H GLU 62 H GLU 62 12.224 4.941 3.606 512 HA GLU 62 HA GLU 62 14.637 4.746 5.006 513 HB2 GLU 62 HB2 GLU 62 12.995 6.442 5.590 514 HB3 GLU 62 HB3 GLU 62 11.841 5.204 6.074 515 HG2 GLU 62 HG2 GLU 62 13.437 4.491 7.840 516 HG3 GLU 62 HG3 GLU 62 14.456 5.862 7.410 517 H VAL 63 H VAL 63 11.627 2.890 5.391 518 HA VAL 63 HA VAL 63 12.560 1.154 7.402 519 HB VAL 63 HB VAL 63 10.481 0.550 5.290 520 HG11 VAL 63 HG11 VAL 63 11.200 -1.425 6.512 521 HG12 VAL 63 HG12 VAL 63 9.553 -0.983 6.961 522 HG13 VAL 63 HG13 VAL 63 10.893 -0.608 8.044 523 HG21 VAL 63 HG21 VAL 63 10.144 1.877 7.981 524 HG22 VAL 63 HG22 VAL 63 8.835 1.378 6.912 525 HG23 VAL 63 HG23 VAL 63 9.951 2.644 6.405 526 H ASP 64 H ASP 64 12.558 0.955 3.896 527 HA ASP 64 HA ASP 64 13.611 -1.579 3.501 528 HB2 ASP 64 HB2 ASP 64 12.895 -0.503 1.563 529 HB3 ASP 64 HB3 ASP 64 13.732 0.993 1.960 530 H THR 65 H THR 65 15.410 1.489 3.689 531 HA THR 65 HA THR 65 17.913 0.102 3.494 532 HB THR 65 HB THR 65 17.441 3.021 4.109 533 HG1 THR 65 HG1 THR 65 16.731 1.671 1.956 534 HG21 THR 65 HG21 THR 65 19.738 2.268 4.496 535 HG22 THR 65 HG22 THR 65 19.650 3.325 3.085 536 HG23 THR 65 HG23 THR 65 19.790 1.579 2.874 537 H SER 66 H SER 66 15.895 1.138 6.083 538 HA SER 66 HA SER 66 17.919 1.358 8.071 539 HB2 SER 66 HB2 SER 66 15.604 2.321 8.270 540 HB3 SER 66 HB3 SER 66 15.000 0.680 8.491 541 HG SER 66 HG SER 66 16.728 2.169 10.165 542 H GLY 67 H GLY 67 16.057 -1.299 6.734 543 HA2 GLY 67 HA2 GLY 67 17.858 -3.245 7.644 544 HA3 GLY 67 HA3 GLY 67 16.523 -3.176 8.782 545 H LYS 68 H LYS 68 14.371 -2.753 7.095 546 HA LYS 68 HA LYS 68 14.198 -5.442 5.993 547 HB2 LYS 68 HB2 LYS 68 12.106 -3.394 6.675 548 HB3 LYS 68 HB3 LYS 68 11.736 -4.899 5.847 549 HG2 LYS 68 HG2 LYS 68 12.979 -4.663 8.578 550 HG3 LYS 68 HG3 LYS 68 11.301 -5.033 8.223 551 HD2 LYS 68 HD2 LYS 68 12.068 -7.153 8.506 552 HD3 LYS 68 HD3 LYS 68 12.394 -6.960 6.785 553 HE2 LYS 68 HE2 LYS 68 14.331 -7.914 7.801 554 HE3 LYS 68 HE3 LYS 68 14.709 -6.246 7.373 555 HZ1 LYS 68 HZ1 LYS 68 14.371 -5.596 9.665 556 HZ2 LYS 68 HZ2 LYS 68 15.514 -6.845 9.587 557 HZ3 LYS 68 HZ3 LYS 68 13.929 -7.181 10.083 558 H HIS 69 H HIS 69 15.418 -5.066 4.191 559 HA HIS 69 HA HIS 69 14.745 -3.112 2.208 560 HB2 HIS 69 HB2 HIS 69 16.620 -5.461 2.279 561 HB3 HIS 69 HB3 HIS 69 16.295 -4.624 0.767 562 HD1 HIS 69 HD1 HIS 69 17.223 -2.248 0.498 563 HD2 HIS 69 HD2 HIS 69 18.233 -4.066 4.100 564 HE1 HIS 69 HE1 HIS 69 19.074 -0.849 1.466 565 HE2 HIS 69 HE2 HIS 69 19.772 -2.047 3.570 566 H ASP 70 H ASP 70 14.369 -6.618 2.436 567 HA ASP 70 HA ASP 70 13.534 -6.999 -0.210 568 HB2 ASP 70 HB2 ASP 70 14.453 -8.721 1.418 569 HB3 ASP 70 HB3 ASP 70 12.828 -8.812 2.092 570 H VAL 71 H VAL 71 11.627 -6.786 2.789 571 HA VAL 71 HA VAL 71 9.144 -7.277 1.555 572 HB VAL 71 HB VAL 71 8.100 -6.328 3.576 573 HG11 VAL 71 HG11 VAL 71 10.418 -8.180 4.109 574 HG12 VAL 71 HG12 VAL 71 8.802 -8.649 3.577 575 HG13 VAL 71 HG13 VAL 71 9.034 -7.939 5.175 576 HG21 VAL 71 HG21 VAL 71 9.491 -5.545 5.428 577 HG22 VAL 71 HG22 VAL 71 9.664 -4.508 4.011 578 HG23 VAL 71 HG23 VAL 71 10.924 -5.676 4.409 579 H ALA 72 H ALA 72 10.949 -4.294 2.077 580 HA ALA 72 HA ALA 72 8.831 -2.523 1.432 581 HB1 ALA 72 HB1 ALA 72 11.804 -2.061 1.217 582 HB2 ALA 72 HB2 ALA 72 10.826 -1.815 2.664 583 HB3 ALA 72 HB3 ALA 72 10.553 -0.818 1.235 584 H GLN 73 H GLN 73 11.461 -3.934 -0.474 585 HA GLN 73 HA GLN 73 10.890 -2.664 -2.905 586 HB2 GLN 73 HB2 GLN 73 12.140 -5.346 -2.294 587 HB3 GLN 73 HB3 GLN 73 12.147 -4.589 -3.871 588 HG2 GLN 73 HG2 GLN 73 13.153 -2.882 -1.729 589 HG3 GLN 73 HG3 GLN 73 14.098 -4.346 -1.996 590 HE21 GLN 73 HE21 GLN 73 12.335 -2.700 -4.528 591 HE22 GLN 73 HE22 GLN 73 13.723 -2.147 -5.388 592 H ARG 74 H ARG 74 9.851 -5.792 -1.599 593 HA ARG 74 HA ARG 74 8.212 -6.547 -3.750 594 HB2 ARG 74 HB2 ARG 74 8.387 -7.320 -0.875 595 HB3 ARG 74 HB3 ARG 74 6.980 -7.834 -1.799 596 HG2 ARG 74 HG2 ARG 74 8.407 -8.959 -3.403 597 HG3 ARG 74 HG3 ARG 74 9.844 -8.392 -2.548 598 HD2 ARG 74 HD2 ARG 74 9.543 -9.839 -0.799 599 HD3 ARG 74 HD3 ARG 74 7.797 -9.922 -1.025 600 HE ARG 74 HE ARG 74 8.431 -11.244 -3.126 601 HH11 ARG 74 HH11 ARG 74 10.396 -11.252 -0.225 602 HH12 ARG 74 HH12 ARG 74 10.866 -12.918 -0.401 603 HH21 ARG 74 HH21 ARG 74 9.066 -13.418 -3.371 604 HH22 ARG 74 HH22 ARG 74 10.095 -14.150 -2.175 605 H LEU 75 H LEU 75 7.588 -4.459 -0.996 606 HA LEU 75 HA LEU 75 4.785 -4.220 -1.456 607 HB2 LEU 75 HB2 LEU 75 6.775 -3.011 0.325 608 HB3 LEU 75 HB3 LEU 75 5.474 -1.929 -0.128 609 HG LEU 75 HG LEU 75 3.823 -3.469 0.769 610 HD11 LEU 75 HD11 LEU 75 6.153 -5.231 1.510 611 HD12 LEU 75 HD12 LEU 75 4.940 -5.580 0.278 612 HD13 LEU 75 HD13 LEU 75 4.469 -5.485 1.975 613 HD21 LEU 75 HD21 LEU 75 4.805 -1.828 2.264 614 HD22 LEU 75 HD22 LEU 75 6.086 -2.964 2.687 615 HD23 LEU 75 HD23 LEU 75 4.415 -3.314 3.131 616 H GLN 76 H GLN 76 7.573 -2.131 -2.255 617 HA GLN 76 HA GLN 76 6.056 -0.068 -3.400 618 HB2 GLN 76 HB2 GLN 76 8.126 0.720 -4.393 619 HB3 GLN 76 HB3 GLN 76 8.401 0.222 -2.737 620 HG2 GLN 76 HG2 GLN 76 9.357 -1.884 -3.572 621 HG3 GLN 76 HG3 GLN 76 9.117 -1.315 -5.221 622 HE21 GLN 76 HE21 GLN 76 10.362 0.434 -5.977 623 HE22 GLN 76 HE22 GLN 76 11.860 0.860 -5.221 624 H GLN 77 H GLN 77 7.568 -2.895 -4.897 625 HA GLN 77 HA GLN 77 6.934 -2.321 -7.560 626 HB2 GLN 77 HB2 GLN 77 8.481 -4.103 -6.905 627 HB3 GLN 77 HB3 GLN 77 7.150 -5.013 -6.204 628 HG2 GLN 77 HG2 GLN 77 6.123 -5.142 -8.459 629 HG3 GLN 77 HG3 GLN 77 7.561 -4.360 -9.114 630 HE21 GLN 77 HE21 GLN 77 6.449 -7.016 -9.651 631 HE22 GLN 77 HE22 GLN 77 7.716 -8.141 -9.274 632 H ARG 78 H ARG 78 4.966 -3.500 -4.957 633 HA ARG 78 HA ARG 78 2.957 -4.763 -6.524 634 HB2 ARG 78 HB2 ARG 78 3.565 -4.838 -3.919 635 HB3 ARG 78 HB3 ARG 78 2.277 -3.643 -3.854 636 HG2 ARG 78 HG2 ARG 78 1.376 -5.836 -3.438 637 HG3 ARG 78 HG3 ARG 78 0.779 -5.244 -4.992 638 HD2 ARG 78 HD2 ARG 78 1.535 -7.650 -4.972 639 HD3 ARG 78 HD3 ARG 78 2.291 -6.628 -6.195 640 HE ARG 78 HE ARG 78 4.025 -6.469 -4.137 641 HH11 ARG 78 HH11 ARG 78 2.546 -9.204 -5.751 642 HH12 ARG 78 HH12 ARG 78 3.905 -10.246 -5.492 643 HH21 ARG 78 HH21 ARG 78 5.802 -7.813 -3.812 644 HH22 ARG 78 HH22 ARG 78 5.777 -9.456 -4.383 645 H VAL 79 H VAL 79 3.622 -1.491 -5.697 646 HA VAL 79 HA VAL 79 1.046 -0.389 -5.745 647 HB VAL 79 HB VAL 79 3.646 0.917 -6.587 648 HG11 VAL 79 HG11 VAL 79 1.694 2.159 -7.382 649 HG12 VAL 79 HG12 VAL 79 2.533 3.033 -6.103 650 HG13 VAL 79 HG13 VAL 79 1.033 2.177 -5.747 651 HG21 VAL 79 HG21 VAL 79 3.752 0.048 -4.317 652 HG22 VAL 79 HG22 VAL 79 2.240 0.864 -3.915 653 HG23 VAL 79 HG23 VAL 79 3.677 1.810 -4.298 654 H THR 80 H THR 80 3.254 -1.225 -8.352 655 HA THR 80 HA THR 80 1.955 0.113 -10.447 656 HB THR 80 HB THR 80 3.050 -1.515 -11.955 657 HG1 THR 80 HG1 THR 80 4.119 -2.744 -9.613 658 HG21 THR 80 HG21 THR 80 5.364 -0.979 -11.347 659 HG22 THR 80 HG22 THR 80 4.832 -0.503 -9.734 660 HG23 THR 80 HG23 THR 80 4.308 0.419 -11.143 661 H ALA 81 H ALA 81 1.464 -3.111 -9.076 662 HA ALA 81 HA ALA 81 -0.537 -3.932 -10.910 663 HB1 ALA 81 HB1 ALA 81 0.708 -5.539 -9.568 664 HB2 ALA 81 HB2 ALA 81 -1.023 -5.694 -9.268 665 HB3 ALA 81 HB3 ALA 81 0.006 -4.875 -8.092 666 H ILE 82 H ILE 82 -0.617 -2.357 -7.744 667 HA ILE 82 HA ILE 82 -3.389 -2.327 -7.354 668 HB ILE 82 HB ILE 82 -1.383 -0.235 -6.491 669 HG12 ILE 82 HG12 ILE 82 -2.456 -2.636 -4.995 670 HG13 ILE 82 HG13 ILE 82 -0.856 -2.538 -5.723 671 HG21 ILE 82 HG21 ILE 82 -3.009 0.340 -4.761 672 HG22 ILE 82 HG22 ILE 82 -4.141 -0.837 -5.426 673 HG23 ILE 82 HG23 ILE 82 -3.682 0.580 -6.371 674 HD11 ILE 82 HD11 ILE 82 -1.895 -0.798 -3.493 675 HD12 ILE 82 HD12 ILE 82 -0.290 -0.700 -4.219 676 HD13 ILE 82 HD13 ILE 82 -0.767 -2.145 -3.329 677 H MET 83 H MET 83 -1.267 0.022 -8.955 678 HA MET 83 HA MET 83 -3.217 1.903 -9.655 679 HB2 MET 83 HB2 MET 83 -0.647 1.147 -11.046 680 HB3 MET 83 HB3 MET 83 -1.638 2.518 -11.518 681 HG2 MET 83 HG2 MET 83 -0.484 2.193 -8.762 682 HG3 MET 83 HG3 MET 83 0.352 3.022 -10.071 683 HE1 MET 83 HE1 MET 83 -3.419 2.978 -8.740 684 HE2 MET 83 HE2 MET 83 -3.429 4.523 -7.889 685 HE3 MET 83 HE3 MET 83 -2.385 3.216 -7.332 686 H ARG 84 H ARG 84 -2.198 -1.065 -11.252 687 HA ARG 84 HA ARG 84 -3.582 -0.707 -13.665 688 HB2 ARG 84 HB2 ARG 84 -1.865 -2.440 -13.315 689 HB3 ARG 84 HB3 ARG 84 -2.956 -3.297 -12.235 690 HG2 ARG 84 HG2 ARG 84 -4.494 -3.714 -14.046 691 HG3 ARG 84 HG3 ARG 84 -3.505 -2.752 -15.145 692 HD2 ARG 84 HD2 ARG 84 -3.059 -5.079 -15.530 693 HD3 ARG 84 HD3 ARG 84 -1.643 -4.340 -14.788 694 HE ARG 84 HE ARG 84 -3.553 -5.769 -13.085 695 HH11 ARG 84 HH11 ARG 84 -0.394 -5.572 -14.582 696 HH12 ARG 84 HH12 ARG 84 0.288 -6.851 -13.614 697 HH21 ARG 84 HH21 ARG 84 -2.661 -7.451 -11.796 698 HH22 ARG 84 HH22 ARG 84 -1.008 -7.926 -12.042 699 H TYR 85 H TYR 85 -4.605 -2.268 -10.618 700 HA TYR 85 HA TYR 85 -7.179 -2.964 -11.599 701 HB2 TYR 85 HB2 TYR 85 -6.307 -2.599 -8.724 702 HB3 TYR 85 HB3 TYR 85 -7.735 -3.470 -9.278 703 HD1 TYR 85 HD2 TYR 85 -6.831 -5.125 -11.429 704 HD2 TYR 85 HD1 TYR 85 -4.789 -4.104 -7.840 705 HE1 TYR 85 HE2 TYR 85 -5.480 -7.168 -11.624 706 HE2 TYR 85 HE1 TYR 85 -3.425 -6.140 -8.034 707 HH TYR 85 HH TYR 85 -3.581 -8.371 -9.111 708 H ALA 86 H ALA 86 -5.861 -0.113 -10.082 709 HA ALA 86 HA ALA 86 -8.316 1.170 -9.484 710 HB1 ALA 86 HB1 ALA 86 -6.986 3.204 -9.280 711 HB2 ALA 86 HB2 ALA 86 -5.621 2.399 -10.053 712 HB3 ALA 86 HB3 ALA 86 -6.191 1.851 -8.477 713 H VAL 87 H VAL 87 -6.328 0.976 -12.370 714 HA VAL 87 HA VAL 87 -7.877 2.909 -13.840 715 HB VAL 87 HB VAL 87 -5.902 0.842 -14.834 716 HG11 VAL 87 HG11 VAL 87 -7.435 1.545 -16.602 717 HG12 VAL 87 HG12 VAL 87 -5.814 2.179 -16.883 718 HG13 VAL 87 HG13 VAL 87 -7.077 3.236 -16.250 719 HG21 VAL 87 HG21 VAL 87 -4.906 2.471 -13.320 720 HG22 VAL 87 HG22 VAL 87 -5.562 3.787 -14.293 721 HG23 VAL 87 HG23 VAL 87 -4.342 2.710 -14.973 722 H GLN 88 H GLN 88 -7.755 -0.594 -13.539 723 HA GLN 88 HA GLN 88 -9.571 -1.266 -15.578 724 HB2 GLN 88 HB2 GLN 88 -8.007 -2.751 -14.144 725 HB3 GLN 88 HB3 GLN 88 -9.310 -2.758 -12.971 726 HG2 GLN 88 HG2 GLN 88 -9.710 -3.645 -15.808 727 HG3 GLN 88 HG3 GLN 88 -9.128 -4.732 -14.554 728 HE21 GLN 88 HE21 GLN 88 -11.834 -3.083 -15.876 729 HE22 GLN 88 HE22 GLN 88 -13.039 -3.781 -14.843 730 H ASN 89 H ASN 89 -10.051 -0.566 -12.128 731 HA ASN 89 HA ASN 89 -12.932 -0.717 -12.367 732 HB2 ASN 89 HB2 ASN 89 -11.058 -0.004 -10.120 733 HB3 ASN 89 HB3 ASN 89 -12.794 0.249 -9.976 734 HD21 ASN 89 HD21 ASN 89 -11.315 -2.428 -11.711 735 HD22 ASN 89 HD22 ASN 89 -11.849 -3.659 -10.625 736 H ASP 90 H ASP 90 -10.627 1.495 -13.139 737 HA ASP 90 HA ASP 90 -10.565 3.670 -13.711 738 HB2 ASP 90 HB2 ASP 90 -12.232 2.847 -15.315 739 HB3 ASP 90 HB3 ASP 90 -13.518 3.237 -14.178 740 H TYR 91 H TYR 91 -10.239 3.817 -11.242 741 HA TYR 91 HA TYR 91 -12.165 5.804 -10.237 742 HB2 TYR 91 HB2 TYR 91 -10.255 3.976 -8.807 743 HB3 TYR 91 HB3 TYR 91 -10.855 5.436 -8.029 744 HD1 TYR 91 HD1 TYR 91 -13.505 5.720 -8.238 745 HD2 TYR 91 HD2 TYR 91 -11.412 2.021 -8.397 746 HE1 TYR 91 HE1 TYR 91 -15.551 4.542 -7.550 747 HE2 TYR 91 HE2 TYR 91 -13.452 0.831 -7.716 748 HH TYR 91 HH TYR 91 -16.496 2.196 -7.810 749 H ILE 92 H ILE 92 -9.176 5.463 -11.678 750 HA ILE 92 HA ILE 92 -8.423 8.180 -10.836 751 HB ILE 92 HB ILE 92 -6.065 7.608 -11.314 752 HG12 ILE 92 HG12 ILE 92 -7.086 4.768 -11.528 753 HG13 ILE 92 HG13 ILE 92 -6.483 5.731 -12.869 754 HG21 ILE 92 HG21 ILE 92 -6.864 7.544 -9.033 755 HG22 ILE 92 HG22 ILE 92 -5.677 6.265 -9.293 756 HG23 ILE 92 HG23 ILE 92 -7.396 5.876 -9.240 757 HD11 ILE 92 HD11 ILE 92 -4.809 4.154 -12.100 758 HD12 ILE 92 HD12 ILE 92 -4.885 4.842 -10.478 759 HD13 ILE 92 HD13 ILE 92 -4.281 5.814 -11.821 760 H ASP 93 H ASP 93 -6.953 9.213 -12.563 761 HA ASP 93 HA ASP 93 -8.299 8.811 -15.143 762 HB2 ASP 93 HB2 ASP 93 -8.660 11.024 -14.435 763 HB3 ASP 93 HB3 ASP 93 -7.008 11.202 -13.855 764 H SER 94 H SER 94 -5.121 9.423 -13.726 765 HA SER 94 HA SER 94 -3.889 8.944 -16.340 766 HB2 SER 94 HB2 SER 94 -2.578 9.980 -13.818 767 HB3 SER 94 HB3 SER 94 -1.948 10.056 -15.464 768 HG SER 94 HG SER 94 -4.326 11.196 -15.527 769 H ASN 95 H ASN 95 -1.801 7.738 -16.330 770 HA ASN 95 HA ASN 95 -1.959 5.410 -14.534 771 HB2 ASN 95 HB2 ASN 95 -0.842 5.669 -17.332 772 HB3 ASN 95 HB3 ASN 95 -0.608 4.246 -16.324 773 HD21 ASN 95 HD21 ASN 95 -2.270 2.834 -16.013 774 HD22 ASN 95 HD22 ASN 95 -3.762 2.926 -16.893 775 HA PRO 96 HA PRO 96 2.036 7.294 -13.393 776 HB2 PRO 96 HB2 PRO 96 1.464 7.412 -10.697 777 HB3 PRO 96 HB3 PRO 96 1.129 8.706 -11.847 778 HG2 PRO 96 HG2 PRO 96 -0.751 7.093 -10.415 779 HG3 PRO 96 HG3 PRO 96 -1.090 8.375 -11.587 780 HD2 PRO 96 HD2 PRO 96 -1.046 5.437 -11.961 781 HD3 PRO 96 HD3 PRO 96 -1.918 6.683 -12.879 782 H ALA 97 H ALA 97 3.363 6.679 -11.245 783 HA ALA 97 HA ALA 97 4.641 5.161 -10.172 784 HB1 ALA 97 HB1 ALA 97 2.549 4.702 -8.988 785 HB2 ALA 97 HB2 ALA 97 3.551 3.258 -9.140 786 HB3 ALA 97 HB3 ALA 97 2.146 3.469 -10.184 787 H SER 98 H SER 98 5.939 4.927 -12.091 788 HA SER 98 HA SER 98 5.960 2.115 -12.891 789 HB2 SER 98 HB2 SER 98 4.986 3.576 -14.741 790 HB3 SER 98 HB3 SER 98 6.581 4.320 -14.859 791 HG SER 98 HG SER 98 6.022 1.543 -15.160 792 H ASP 99 H ASP 99 7.747 5.193 -12.839 793 HA ASP 99 HA ASP 99 10.290 3.781 -12.838 794 HB2 ASP 99 HB2 ASP 99 9.924 5.930 -14.098 795 HB3 ASP 99 HB3 ASP 99 9.795 6.751 -12.546 796 H MET 100 H MET 100 8.473 3.370 -10.645 797 HA MET 100 HA MET 100 10.184 4.326 -8.456 798 HB2 MET 100 HB2 MET 100 8.135 4.021 -6.996 799 HB3 MET 100 HB3 MET 100 8.095 5.377 -8.109 800 HG2 MET 100 HG2 MET 100 5.970 4.472 -8.257 801 HG3 MET 100 HG3 MET 100 6.796 3.816 -9.665 802 HE1 MET 100 HE1 MET 100 5.544 3.108 -6.023 803 HE2 MET 100 HE2 MET 100 7.258 2.710 -5.929 804 HE3 MET 100 HE3 MET 100 6.047 1.434 -5.789 805 H ALA 101 H ALA 101 9.807 1.861 -10.324 806 HA ALA 101 HA ALA 101 10.611 -0.068 -8.316 807 HB1 ALA 101 HB1 ALA 101 8.280 -0.593 -10.164 808 HB2 ALA 101 HB2 ALA 101 8.199 -0.417 -8.412 809 HB3 ALA 101 HB3 ALA 101 9.049 -1.789 -9.123 810 H GLY 102 H GLY 102 10.996 -2.273 -9.704 811 HA2 GLY 102 HA2 GLY 102 11.597 -2.859 -12.091 812 HA3 GLY 102 HA3 GLY 102 12.583 -1.405 -12.035 813 H ALA 103 H ALA 103 14.633 -2.036 -12.039 814 HA ALA 103 HA ALA 103 15.408 -4.274 -10.287 815 HB1 ALA 103 HB1 ALA 103 16.874 -3.118 -12.657 816 HB2 ALA 103 HB2 ALA 103 15.920 -4.602 -12.657 817 HB3 ALA 103 HB3 ALA 103 17.392 -4.501 -11.689 818 H LEU 104 H LEU 104 15.851 -0.941 -10.999 819 HA LEU 104 HA LEU 104 17.195 0.708 -10.304 820 HB2 LEU 104 HB2 LEU 104 16.969 1.097 -7.862 821 HB3 LEU 104 HB3 LEU 104 15.479 0.886 -8.739 822 HG LEU 104 HG LEU 104 16.615 -1.504 -7.359 823 HD11 LEU 104 HD11 LEU 104 15.537 -0.836 -5.257 824 HD12 LEU 104 HD12 LEU 104 15.200 0.753 -5.944 825 HD13 LEU 104 HD13 LEU 104 16.867 0.244 -5.684 826 HD21 LEU 104 HD21 LEU 104 14.227 -1.947 -6.972 827 HD22 LEU 104 HD22 LEU 104 14.578 -1.705 -8.684 828 HD23 LEU 104 HD23 LEU 104 13.823 -0.414 -7.747 829 H SER 105 H SER 105 18.001 -1.559 -7.712 830 HA SER 105 HA SER 105 20.691 -0.522 -7.669 831 HB2 SER 105 HB2 SER 105 19.465 -2.736 -6.008 832 HB3 SER 105 HB3 SER 105 20.960 -1.865 -5.659 833 HG SER 105 HG SER 105 19.487 0.081 -5.732 834 H THR 106 H THR 106 19.215 -2.901 -9.460 835 HA THR 106 HA THR 106 21.697 -4.480 -9.635 836 HB THR 106 HB THR 106 19.022 -5.407 -10.632 837 HG1 THR 106 HG1 THR 106 19.219 -4.861 -8.231 838 HG21 THR 106 HG21 THR 106 21.527 -6.861 -9.780 839 HG22 THR 106 HG22 THR 106 20.964 -6.631 -11.437 840 HG23 THR 106 HG23 THR 106 20.037 -7.632 -10.317 841 H THR 107 H THR 107 22.837 -3.980 -11.342 842 HA THR 107 HA THR 107 21.518 -3.576 -13.922 843 HB THR 107 HB THR 107 23.235 -1.772 -14.424 844 HG1 THR 107 HG1 THR 107 24.611 -2.127 -12.643 845 HG21 THR 107 HG21 THR 107 20.881 -1.233 -14.040 846 HG22 THR 107 HG22 THR 107 21.928 0.012 -13.359 847 HG23 THR 107 HG23 THR 107 21.169 -1.177 -12.301 848 H LYS 108 H LYS 108 22.433 -4.754 -15.489 849 HA LYS 108 HA LYS 108 25.285 -5.344 -15.375 850 HB2 LYS 108 HB2 LYS 108 24.289 -7.279 -14.345 851 HB3 LYS 108 HB3 LYS 108 23.055 -7.374 -15.589 852 HG2 LYS 108 HG2 LYS 108 25.934 -7.681 -16.317 853 HG3 LYS 108 HG3 LYS 108 25.041 -9.028 -15.610 854 HD2 LYS 108 HD2 LYS 108 24.240 -7.504 -18.089 855 HD3 LYS 108 HD3 LYS 108 25.013 -9.083 -18.066 856 HE2 LYS 108 HE2 LYS 108 23.115 -10.033 -16.909 857 HE3 LYS 108 HE3 LYS 108 22.354 -8.447 -16.803 858 HZ1 LYS 108 HZ1 LYS 108 22.228 -8.393 -19.219 859 HZ2 LYS 108 HZ2 LYS 108 21.415 -9.747 -18.601 860 HZ3 LYS 108 HZ3 LYS 108 22.941 -9.930 -19.313 861 H ALA 109 H ALA 109 26.218 -5.431 -17.377 862 HA ALA 109 HA ALA 109 24.466 -5.169 -19.727 863 HB1 ALA 109 HB1 ALA 109 25.813 -3.331 -20.590 864 HB2 ALA 109 HB2 ALA 109 26.806 -3.360 -19.133 865 HB3 ALA 109 HB3 ALA 109 25.102 -2.914 -19.030 866 H ARG 110 H ARG 110 27.502 -6.159 -18.339 867 HA ARG 110 HA ARG 110 28.749 -6.854 -20.825 868 HB2 ARG 110 HB2 ARG 110 29.402 -7.803 -18.031 869 HB3 ARG 110 HB3 ARG 110 30.426 -7.983 -19.445 870 HG2 ARG 110 HG2 ARG 110 29.621 -5.377 -18.175 871 HG3 ARG 110 HG3 ARG 110 31.184 -6.176 -18.007 872 HD2 ARG 110 HD2 ARG 110 31.393 -6.008 -20.521 873 HD3 ARG 110 HD3 ARG 110 29.979 -4.951 -20.481 874 HE ARG 110 HE ARG 110 32.210 -4.230 -18.750 875 HH11 ARG 110 HH11 ARG 110 30.514 -3.672 -21.770 876 HH12 ARG 110 HH12 ARG 110 31.253 -2.113 -22.032 877 HH21 ARG 110 HH21 ARG 110 33.195 -2.208 -19.120 878 HH22 ARG 110 HH22 ARG 110 32.775 -1.291 -20.533 879 H HIS 111 H HIS 111 29.393 -9.062 -21.368 880 HA HIS 111 HA HIS 111 29.072 -11.258 -21.778 881 HB2 HIS 111 HB2 HIS 111 27.703 -11.022 -19.164 882 HB3 HIS 111 HB3 HIS 111 27.252 -12.404 -20.156 883 HD1 HIS 111 HD1 HIS 111 28.924 -12.434 -17.413 884 HD2 HIS 111 HD2 HIS 111 30.404 -12.898 -21.272 885 HE1 HIS 111 HE1 HIS 111 31.083 -13.702 -17.163 886 HE2 HIS 111 HE2 HIS 111 32.056 -13.778 -19.488 887 H TYR 112 H TYR 112 28.164 -10.991 -23.745 888 HA TYR 112 HA TYR 112 25.247 -11.423 -23.787 889 HB2 TYR 112 HB2 TYR 112 25.879 -9.322 -24.930 890 HB3 TYR 112 HB3 TYR 112 26.970 -10.222 -25.977 891 HD1 TYR 112 HD1 TYR 112 23.389 -9.860 -25.051 892 HD2 TYR 112 HD2 TYR 112 26.184 -11.197 -27.965 893 HE1 TYR 112 HE1 TYR 112 21.547 -10.246 -26.633 894 HE2 TYR 112 HE2 TYR 112 24.351 -11.585 -29.554 895 HH TYR 112 HH TYR 112 21.191 -10.414 -29.053 896 HA PRO 113 HA PRO 113 27.118 -15.335 -25.089 897 HB2 PRO 113 HB2 PRO 113 24.718 -16.618 -24.143 898 HB3 PRO 113 HB3 PRO 113 26.348 -16.703 -23.473 899 HG2 PRO 113 HG2 PRO 113 24.231 -15.471 -22.242 900 HG3 PRO 113 HG3 PRO 113 25.929 -15.081 -21.936 901 HD2 PRO 113 HD2 PRO 113 23.923 -13.641 -23.613 902 HD3 PRO 113 HD3 PRO 113 25.226 -12.993 -22.600 903 H LEU 114 H LEU 114 26.974 -16.000 -27.065 904 HA LEU 114 HA LEU 114 24.826 -15.499 -28.829 905 HB2 LEU 114 HB2 LEU 114 26.987 -17.606 -29.038 906 HB3 LEU 114 HB3 LEU 114 25.948 -17.080 -30.347 907 HG LEU 114 HG LEU 114 28.006 -15.373 -28.942 908 HD11 LEU 114 HD11 LEU 114 27.988 -16.596 -31.698 909 HD12 LEU 114 HD12 LEU 114 29.016 -17.080 -30.349 910 HD13 LEU 114 HD13 LEU 114 29.206 -15.484 -31.073 911 HD21 LEU 114 HD21 LEU 114 26.074 -14.078 -29.714 912 HD22 LEU 114 HD22 LEU 114 26.263 -14.764 -31.328 913 HD23 LEU 114 HD23 LEU 114 27.519 -13.721 -30.660 914 H GLU 115 H GLU 115 25.876 -18.325 -27.014 915 HA GLU 115 HA GLU 115 24.784 -20.135 -26.188 916 HB2 GLU 115 HB2 GLU 115 23.491 -18.087 -25.270 917 HB3 GLU 115 HB3 GLU 115 22.233 -18.565 -26.398 918 HG2 GLU 115 HG2 GLU 115 21.923 -20.644 -25.308 919 HG3 GLU 115 HG3 GLU 115 23.367 -20.413 -24.320 920 H HIS 116 H HIS 116 25.102 -20.039 -29.016 921 HA HIS 116 HA HIS 116 22.673 -21.381 -29.977 922 HB2 HIS 116 HB2 HIS 116 23.403 -19.475 -31.347 923 HB3 HIS 116 HB3 HIS 116 24.989 -20.211 -31.545 924 HD1 HIS 116 HD1 HIS 116 25.254 -21.332 -33.726 925 HD2 HIS 116 HD2 HIS 116 21.304 -21.406 -32.419 926 HE1 HIS 116 HE1 HIS 116 23.957 -22.481 -35.549 927 HE2 HIS 116 HE2 HIS 116 21.559 -22.445 -34.777 928 H HIS 117 H HIS 117 22.822 -23.477 -29.499 929 HA HIS 117 HA HIS 117 25.314 -24.863 -30.257 930 HB2 HIS 117 HB2 HIS 117 24.641 -24.909 -27.787 931 HB3 HIS 117 HB3 HIS 117 23.278 -25.904 -28.280 932 HD1 HIS 117 HD1 HIS 117 25.927 -26.627 -26.481 933 HD2 HIS 117 HD2 HIS 117 24.978 -27.922 -30.320 934 HE1 HIS 117 HE1 HIS 117 27.189 -28.779 -26.809 935 HE2 HIS 117 HE2 HIS 117 26.416 -29.645 -29.040 936 H HIS 118 H HIS 118 24.943 -25.584 -32.239 937 HA HIS 118 HA HIS 118 22.301 -26.491 -33.032 938 HB2 HIS 118 HB2 HIS 118 23.708 -25.035 -34.504 939 HB3 HIS 118 HB3 HIS 118 24.863 -26.355 -34.641 940 HD1 HIS 118 HD1 HIS 118 21.593 -25.149 -35.921 941 HD2 HIS 118 HD2 HIS 118 24.005 -28.523 -36.247 942 HE1 HIS 118 HE1 HIS 118 20.669 -26.459 -37.861 943 HE2 HIS 118 HE2 HIS 118 22.013 -28.597 -37.895 944 H HIS 119 H HIS 119 21.720 -28.571 -33.289 945 HA HIS 119 HA HIS 119 23.241 -30.632 -32.116 946 HB2 HIS 119 HB2 HIS 119 20.758 -30.637 -32.338 947 HB3 HIS 119 HB3 HIS 119 20.943 -30.899 -34.068 948 HD1 HIS 119 HD1 HIS 119 21.138 -32.631 -30.777 949 HD2 HIS 119 HD2 HIS 119 21.735 -33.499 -34.804 950 HE1 HIS 119 HE1 HIS 119 21.291 -35.135 -30.915 951 HE2 HIS 119 HE2 HIS 119 21.768 -35.639 -33.345 952 H HIS 120 H HIS 120 25.105 -31.324 -32.903 953 HA HIS 120 HA HIS 120 25.344 -31.721 -35.820 954 HB2 HIS 120 HB2 HIS 120 26.687 -29.789 -34.940 955 HB3 HIS 120 HB3 HIS 120 27.564 -30.920 -33.919 956 HD1 HIS 120 HD1 HIS 120 29.289 -32.477 -35.074 957 HD2 HIS 120 HD2 HIS 120 27.409 -29.788 -37.636 958 HE1 HIS 120 HE1 HIS 120 30.639 -32.501 -37.195 959 HE2 HIS 120 HE2 HIS 120 29.583 -30.746 -38.668 960 H HIS 121 H HIS 121 25.095 -33.876 -36.019 961 HA HIS 121 HA HIS 121 26.273 -35.703 -34.112 962 HB2 HIS 121 HB2 HIS 121 24.100 -36.194 -35.218 963 HB3 HIS 121 HB3 HIS 121 24.932 -36.284 -36.766 964 HD1 HIS 121 HD1 HIS 121 26.223 -38.425 -37.293 965 HD2 HIS 121 HD2 HIS 121 24.571 -38.374 -33.477 966 HE1 HIS 121 HE1 HIS 121 26.423 -40.781 -36.435 967 HE2 HIS 121 HE2 HIS 121 25.351 -40.747 -34.150 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -11.961 14.829 -3.281 2 H2 MET 1 H2 MET 1 -11.258 16.221 -3.951 3 H3 MET 1 H3 MET 1 -11.513 16.117 -2.278 4 HA MET 1 HA MET 1 -9.677 14.392 -3.833 5 HB2 MET 1 HB2 MET 1 -8.839 16.687 -3.680 6 HB3 MET 1 HB3 MET 1 -9.132 16.698 -1.949 7 HG2 MET 1 HG2 MET 1 -7.453 14.943 -1.652 8 HG3 MET 1 HG3 MET 1 -7.156 14.941 -3.389 9 HE1 MET 1 HE1 MET 1 -7.208 17.960 -4.209 10 HE2 MET 1 HE2 MET 1 -5.917 16.865 -4.700 11 HE3 MET 1 HE3 MET 1 -5.525 18.429 -3.988 12 H GLU 2 H GLU 2 -8.853 12.694 -2.745 13 HA GLU 2 HA GLU 2 -8.600 11.094 -1.175 14 HB2 GLU 2 HB2 GLU 2 -7.699 13.033 0.183 15 HB3 GLU 2 HB3 GLU 2 -9.293 13.181 0.905 16 HG2 GLU 2 HG2 GLU 2 -8.053 10.509 1.023 17 HG3 GLU 2 HG3 GLU 2 -7.291 11.770 1.986 18 H ASN 3 H ASN 3 -10.347 9.995 -2.010 19 HA ASN 3 HA ASN 3 -13.029 10.557 -1.096 20 HB2 ASN 3 HB2 ASN 3 -11.944 8.362 -2.878 21 HB3 ASN 3 HB3 ASN 3 -13.652 8.606 -2.525 22 HD21 ASN 3 HD21 ASN 3 -14.714 10.400 -3.388 23 HD22 ASN 3 HD22 ASN 3 -14.048 11.301 -4.706 24 H SER 4 H SER 4 -13.738 9.889 0.779 25 HA SER 4 HA SER 4 -12.988 7.203 1.708 26 HB2 SER 4 HB2 SER 4 -11.776 9.240 2.849 27 HB3 SER 4 HB3 SER 4 -13.313 9.437 3.688 28 HG SER 4 HG SER 4 -11.369 7.487 3.942 29 H GLY 5 H GLY 5 -14.885 6.186 1.423 30 HA2 GLY 5 HA2 GLY 5 -17.113 6.922 3.103 31 HA3 GLY 5 HA3 GLY 5 -17.439 7.124 1.386 32 H ALA 6 H ALA 6 -18.232 5.428 0.332 33 HA ALA 6 HA ALA 6 -18.477 2.871 1.593 34 HB1 ALA 6 HB1 ALA 6 -19.001 3.704 -1.260 35 HB2 ALA 6 HB2 ALA 6 -20.180 3.650 0.053 36 HB3 ALA 6 HB3 ALA 6 -19.461 2.157 -0.548 37 H TYR 7 H TYR 7 -16.047 4.397 -0.145 38 HA TYR 7 HA TYR 7 -14.497 1.958 -0.301 39 HB2 TYR 7 HB2 TYR 7 -13.739 2.508 -2.612 40 HB3 TYR 7 HB3 TYR 7 -15.440 2.072 -2.531 41 HD1 TYR 7 HD1 TYR 7 -17.182 3.819 -2.814 42 HD2 TYR 7 HD2 TYR 7 -13.046 4.694 -3.307 43 HE1 TYR 7 HE1 TYR 7 -17.766 5.903 -3.979 44 HE2 TYR 7 HE2 TYR 7 -13.622 6.783 -4.466 45 HH TYR 7 HH TYR 7 -16.714 8.119 -4.423 46 H THR 8 H THR 8 -12.443 2.291 0.181 47 HA THR 8 HA THR 8 -11.363 5.026 0.180 48 HB THR 8 HB THR 8 -10.049 4.446 2.194 49 HG1 THR 8 HG1 THR 8 -10.527 2.529 3.308 50 HG21 THR 8 HG21 THR 8 -11.914 4.487 3.827 51 HG22 THR 8 HG22 THR 8 -13.040 4.151 2.511 52 HG23 THR 8 HG23 THR 8 -12.121 5.655 2.524 53 H PHE 9 H PHE 9 -8.749 4.323 0.945 54 HA PHE 9 HA PHE 9 -7.679 3.456 -1.514 55 HB2 PHE 9 HB2 PHE 9 -6.491 4.922 0.117 56 HB3 PHE 9 HB3 PHE 9 -6.290 3.528 1.175 57 HD1 PHE 9 HD2 PHE 9 -4.794 1.681 0.514 58 HD2 PHE 9 HD1 PHE 9 -5.131 5.232 -1.808 59 HE1 PHE 9 HE2 PHE 9 -2.703 1.115 -0.648 60 HE2 PHE 9 HE1 PHE 9 -3.037 4.671 -2.973 61 HZ PHE 9 HZ PHE 9 -1.822 2.610 -2.390 62 H GLU 10 H GLU 10 -7.943 1.816 1.638 63 HA GLU 10 HA GLU 10 -6.777 -0.598 0.625 64 HB2 GLU 10 HB2 GLU 10 -6.838 0.327 3.068 65 HB3 GLU 10 HB3 GLU 10 -8.404 -0.463 3.147 66 HG2 GLU 10 HG2 GLU 10 -5.962 -1.972 2.293 67 HG3 GLU 10 HG3 GLU 10 -6.320 -1.713 3.995 68 H THR 11 H THR 11 -10.051 0.606 1.096 69 HA THR 11 HA THR 11 -11.391 -1.850 1.022 70 HB THR 11 HB THR 11 -12.447 0.855 0.190 71 HG1 THR 11 HG1 THR 11 -13.187 0.840 2.420 72 HG21 THR 11 HG21 THR 11 -14.638 -0.085 0.810 73 HG22 THR 11 HG22 THR 11 -13.876 -1.651 1.087 74 HG23 THR 11 HG23 THR 11 -13.908 -0.962 -0.537 75 H ILE 12 H ILE 12 -10.367 0.251 -1.652 76 HA ILE 12 HA ILE 12 -11.825 -1.228 -3.633 77 HB ILE 12 HB ILE 12 -9.479 0.659 -3.945 78 HG12 ILE 12 HG12 ILE 12 -12.462 1.040 -4.316 79 HG13 ILE 12 HG13 ILE 12 -11.479 1.726 -3.027 80 HG21 ILE 12 HG21 ILE 12 -9.571 -0.828 -5.855 81 HG22 ILE 12 HG22 ILE 12 -10.141 0.776 -6.325 82 HG23 ILE 12 HG23 ILE 12 -11.299 -0.525 -6.043 83 HD11 ILE 12 HD11 ILE 12 -10.259 3.057 -4.674 84 HD12 ILE 12 HD12 ILE 12 -11.994 3.385 -4.717 85 HD13 ILE 12 HD13 ILE 12 -11.256 2.372 -5.958 86 H ALA 13 H ALA 13 -8.540 -1.363 -2.355 87 HA ALA 13 HA ALA 13 -7.703 -3.481 -4.091 88 HB1 ALA 13 HB1 ALA 13 -6.569 -2.591 -1.437 89 HB2 ALA 13 HB2 ALA 13 -6.086 -1.983 -3.022 90 HB3 ALA 13 HB3 ALA 13 -5.779 -3.666 -2.593 91 H ARG 14 H ARG 14 -9.331 -3.199 -1.070 92 HA ARG 14 HA ARG 14 -8.997 -5.622 0.171 93 HB2 ARG 14 HB2 ARG 14 -10.169 -3.799 1.204 94 HB3 ARG 14 HB3 ARG 14 -11.429 -3.847 -0.017 95 HG2 ARG 14 HG2 ARG 14 -12.187 -4.817 2.071 96 HG3 ARG 14 HG3 ARG 14 -12.143 -6.024 0.784 97 HD2 ARG 14 HD2 ARG 14 -11.232 -7.055 2.692 98 HD3 ARG 14 HD3 ARG 14 -9.874 -6.685 1.641 99 HE ARG 14 HE ARG 14 -9.544 -4.666 3.101 100 HH11 ARG 14 HH11 ARG 14 -11.131 -7.558 4.318 101 HH12 ARG 14 HH12 ARG 14 -10.651 -7.254 5.969 102 HH21 ARG 14 HH21 ARG 14 -8.950 -4.268 5.238 103 HH22 ARG 14 HH22 ARG 14 -9.408 -5.387 6.493 104 H GLU 15 H GLU 15 -10.978 -4.861 -2.550 105 HA GLU 15 HA GLU 15 -12.746 -6.975 -2.618 106 HB2 GLU 15 HB2 GLU 15 -12.749 -4.972 -4.098 107 HB3 GLU 15 HB3 GLU 15 -11.403 -5.648 -4.989 108 HG2 GLU 15 HG2 GLU 15 -14.070 -7.016 -4.729 109 HG3 GLU 15 HG3 GLU 15 -13.684 -5.894 -6.027 110 H TRP 16 H TRP 16 -9.600 -6.855 -4.370 111 HA TRP 16 HA TRP 16 -9.598 -9.728 -4.586 112 HB2 TRP 16 HB2 TRP 16 -7.336 -9.416 -5.619 113 HB3 TRP 16 HB3 TRP 16 -8.625 -8.540 -6.429 114 HD1 TRP 16 HD1 TRP 16 -8.339 -5.941 -6.670 115 HE1 TRP 16 HE1 TRP 16 -6.524 -4.268 -5.964 116 HE3 TRP 16 HE3 TRP 16 -5.517 -8.998 -3.691 117 HZ2 TRP 16 HZ2 TRP 16 -4.198 -4.241 -4.363 118 HZ3 TRP 16 HZ3 TRP 16 -3.514 -8.069 -2.614 119 HH2 TRP 16 HH2 TRP 16 -2.880 -5.741 -2.944 120 H HIS 17 H HIS 17 -8.252 -7.344 -2.458 121 HA HIS 17 HA HIS 17 -6.114 -8.755 -1.341 122 HB2 HIS 17 HB2 HIS 17 -6.545 -6.308 -1.154 123 HB3 HIS 17 HB3 HIS 17 -7.824 -6.655 0.000 124 HD1 HIS 17 HD1 HIS 17 -6.608 -5.303 1.841 125 HD2 HIS 17 HD2 HIS 17 -4.431 -8.542 0.366 126 HE1 HIS 17 HE1 HIS 17 -4.695 -5.634 3.443 127 HE2 HIS 17 HE2 HIS 17 -3.304 -7.474 2.429 128 H GLU 18 H GLU 18 -9.527 -8.999 -0.672 129 HA GLU 18 HA GLU 18 -9.390 -9.992 1.971 130 HB2 GLU 18 HB2 GLU 18 -11.408 -9.046 0.751 131 HB3 GLU 18 HB3 GLU 18 -11.553 -10.606 -0.042 132 HG2 GLU 18 HG2 GLU 18 -13.076 -10.544 1.782 133 HG3 GLU 18 HG3 GLU 18 -11.778 -11.663 2.186 134 H SER 19 H SER 19 -8.277 -11.411 -0.809 135 HA SER 19 HA SER 19 -8.981 -14.120 -0.468 136 HB2 SER 19 HB2 SER 19 -6.505 -12.939 -1.752 137 HB3 SER 19 HB3 SER 19 -7.102 -14.581 -1.981 138 HG SER 19 HG SER 19 -8.085 -12.158 -2.979 139 H ASN 20 H ASN 20 -6.569 -12.105 1.050 140 HA ASN 20 HA ASN 20 -5.192 -12.414 2.828 141 HB2 ASN 20 HB2 ASN 20 -7.090 -13.571 3.879 142 HB3 ASN 20 HB3 ASN 20 -6.598 -15.082 3.124 143 HD21 ASN 20 HD21 ASN 20 -6.489 -16.013 5.186 144 HD22 ASN 20 HD22 ASN 20 -5.126 -15.736 6.212 145 H LYS 21 H LYS 21 -3.241 -13.617 3.522 146 HA LYS 21 HA LYS 21 -1.914 -14.543 1.103 147 HB2 LYS 21 HB2 LYS 21 0.179 -14.218 2.372 148 HB3 LYS 21 HB3 LYS 21 -0.813 -12.768 2.324 149 HG2 LYS 21 HG2 LYS 21 -1.499 -13.073 4.582 150 HG3 LYS 21 HG3 LYS 21 -0.779 -14.681 4.643 151 HD2 LYS 21 HD2 LYS 21 0.675 -13.172 5.795 152 HD3 LYS 21 HD3 LYS 21 1.449 -13.629 4.278 153 HE2 LYS 21 HE2 LYS 21 0.728 -11.524 3.271 154 HE3 LYS 21 HE3 LYS 21 -0.064 -11.066 4.780 155 HZ1 LYS 21 HZ1 LYS 21 2.063 -9.998 4.664 156 HZ2 LYS 21 HZ2 LYS 21 2.851 -11.470 4.351 157 HZ3 LYS 21 HZ3 LYS 21 2.143 -11.196 5.867 158 H ARG 22 H ARG 22 -2.621 -15.745 4.363 159 HA ARG 22 HA ARG 22 -2.130 -18.462 3.557 160 HB2 ARG 22 HB2 ARG 22 0.170 -17.446 4.087 161 HB3 ARG 22 HB3 ARG 22 -0.373 -17.358 5.755 162 HG2 ARG 22 HG2 ARG 22 0.799 -19.340 5.728 163 HG3 ARG 22 HG3 ARG 22 -0.857 -19.889 5.471 164 HD2 ARG 22 HD2 ARG 22 1.254 -19.491 3.351 165 HD3 ARG 22 HD3 ARG 22 0.650 -21.033 3.954 166 HE ARG 22 HE ARG 22 -1.598 -19.948 3.049 167 HH11 ARG 22 HH11 ARG 22 1.572 -20.132 1.576 168 HH12 ARG 22 HH12 ARG 22 0.955 -20.048 -0.046 169 HH21 ARG 22 HH21 ARG 22 -2.412 -19.838 0.937 170 HH22 ARG 22 HH22 ARG 22 -1.316 -19.889 -0.415 171 H TRP 23 H TRP 23 -2.553 -19.968 5.434 172 HA TRP 23 HA TRP 23 -4.900 -19.255 6.790 173 HB2 TRP 23 HB2 TRP 23 -3.005 -21.500 7.499 174 HB3 TRP 23 HB3 TRP 23 -4.708 -21.382 7.939 175 HD1 TRP 23 HD1 TRP 23 -6.506 -21.688 5.920 176 HE1 TRP 23 HE1 TRP 23 -6.320 -22.964 3.695 177 HE3 TRP 23 HE3 TRP 23 -1.422 -22.175 5.704 178 HZ2 TRP 23 HZ2 TRP 23 -4.274 -24.024 2.062 179 HZ3 TRP 23 HZ3 TRP 23 -0.430 -23.330 3.772 180 HH2 TRP 23 HH2 TRP 23 -1.829 -24.235 1.992 181 H SER 24 H SER 24 -4.612 -17.420 7.910 182 HA SER 24 HA SER 24 -3.735 -17.658 10.622 183 HB2 SER 24 HB2 SER 24 -2.274 -15.762 8.744 184 HB3 SER 24 HB3 SER 24 -2.177 -15.685 10.505 185 HG SER 24 HG SER 24 -1.686 -18.188 9.606 186 H GLU 25 H GLU 25 -6.168 -17.323 9.438 187 HA GLU 25 HA GLU 25 -6.994 -14.861 8.519 188 HB2 GLU 25 HB2 GLU 25 -8.174 -17.252 8.863 189 HB3 GLU 25 HB3 GLU 25 -8.913 -16.384 10.200 190 HG2 GLU 25 HG2 GLU 25 -10.318 -16.289 8.244 191 HG3 GLU 25 HG3 GLU 25 -9.717 -14.679 8.643 192 H ASP 26 H ASP 26 -7.304 -16.077 11.848 193 HA ASP 26 HA ASP 26 -8.458 -13.845 13.023 194 HB2 ASP 26 HB2 ASP 26 -8.213 -16.012 14.145 195 HB3 ASP 26 HB3 ASP 26 -6.470 -15.780 14.228 196 H HIS 27 H HIS 27 -5.035 -14.579 12.545 197 HA HIS 27 HA HIS 27 -4.170 -12.309 14.064 198 HB2 HIS 27 HB2 HIS 27 -2.610 -14.179 12.274 199 HB3 HIS 27 HB3 HIS 27 -1.897 -12.955 13.317 200 HD1 HIS 27 HD1 HIS 27 -1.750 -16.250 13.421 201 HD2 HIS 27 HD2 HIS 27 -3.672 -13.631 16.020 202 HE1 HIS 27 HE1 HIS 27 -2.006 -17.506 15.585 203 HE2 HIS 27 HE2 HIS 27 -3.374 -15.981 17.057 204 H ARG 28 H ARG 28 -4.426 -13.073 10.608 205 HA ARG 28 HA ARG 28 -2.914 -10.865 9.733 206 HB2 ARG 28 HB2 ARG 28 -3.735 -11.321 7.511 207 HB3 ARG 28 HB3 ARG 28 -3.358 -12.831 8.318 208 HG2 ARG 28 HG2 ARG 28 -5.330 -13.361 7.285 209 HG3 ARG 28 HG3 ARG 28 -5.916 -12.839 8.865 210 HD2 ARG 28 HD2 ARG 28 -6.599 -10.739 8.027 211 HD3 ARG 28 HD3 ARG 28 -5.710 -10.961 6.522 212 HE ARG 28 HE ARG 28 -7.616 -13.007 6.722 213 HH11 ARG 28 HH11 ARG 28 -7.574 -9.513 6.391 214 HH12 ARG 28 HH12 ARG 28 -9.029 -9.468 5.454 215 HH21 ARG 28 HH21 ARG 28 -9.491 -12.942 5.488 216 HH22 ARG 28 HH22 ARG 28 -10.117 -11.416 4.910 217 H SER 29 H SER 29 -6.198 -11.095 10.784 218 HA SER 29 HA SER 29 -7.134 -8.722 9.524 219 HB2 SER 29 HB2 SER 29 -8.657 -10.484 10.385 220 HB3 SER 29 HB3 SER 29 -8.178 -10.066 12.031 221 HG SER 29 HG SER 29 -10.115 -9.031 11.426 222 H ARG 30 H ARG 30 -5.712 -9.423 12.699 223 HA ARG 30 HA ARG 30 -5.972 -6.669 13.518 224 HB2 ARG 30 HB2 ARG 30 -5.072 -7.315 15.616 225 HB3 ARG 30 HB3 ARG 30 -6.162 -8.597 15.118 226 HG2 ARG 30 HG2 ARG 30 -4.230 -9.930 14.396 227 HG3 ARG 30 HG3 ARG 30 -3.157 -8.648 14.963 228 HD2 ARG 30 HD2 ARG 30 -4.282 -8.910 17.225 229 HD3 ARG 30 HD3 ARG 30 -5.000 -10.386 16.586 230 HE ARG 30 HE ARG 30 -2.085 -10.092 16.496 231 HH11 ARG 30 HH11 ARG 30 -4.926 -11.649 17.848 232 HH12 ARG 30 HH12 ARG 30 -4.017 -12.879 18.679 233 HH21 ARG 30 HH21 ARG 30 -0.888 -11.714 17.576 234 HH22 ARG 30 HH22 ARG 30 -1.717 -12.932 18.501 235 H VAL 31 H VAL 31 -3.453 -8.770 12.256 236 HA VAL 31 HA VAL 31 -1.268 -7.048 12.737 237 HB VAL 31 HB VAL 31 -1.644 -9.209 10.654 238 HG11 VAL 31 HG11 VAL 31 0.015 -7.599 9.848 239 HG12 VAL 31 HG12 VAL 31 0.783 -9.116 10.314 240 HG13 VAL 31 HG13 VAL 31 0.879 -7.715 11.380 241 HG21 VAL 31 HG21 VAL 31 -0.105 -9.127 13.247 242 HG22 VAL 31 HG22 VAL 31 -0.157 -10.486 12.126 243 HG23 VAL 31 HG23 VAL 31 -1.621 -9.980 12.967 244 H LEU 32 H LEU 32 -3.578 -7.292 10.093 245 HA LEU 32 HA LEU 32 -2.345 -5.783 8.136 246 HB2 LEU 32 HB2 LEU 32 -4.435 -7.036 7.823 247 HB3 LEU 32 HB3 LEU 32 -5.288 -5.857 8.802 248 HG LEU 32 HG LEU 32 -4.801 -4.119 7.122 249 HD11 LEU 32 HD11 LEU 32 -3.593 -6.399 5.563 250 HD12 LEU 32 HD12 LEU 32 -2.731 -5.011 6.223 251 HD13 LEU 32 HD13 LEU 32 -3.911 -4.782 4.934 252 HD21 LEU 32 HD21 LEU 32 -6.115 -6.597 6.018 253 HD22 LEU 32 HD22 LEU 32 -6.301 -4.962 5.382 254 HD23 LEU 32 HD23 LEU 32 -6.891 -5.351 6.997 255 H ARG 33 H ARG 33 -3.754 -4.714 11.094 256 HA ARG 33 HA ARG 33 -4.354 -2.060 10.685 257 HB2 ARG 33 HB2 ARG 33 -4.661 -3.295 12.788 258 HB3 ARG 33 HB3 ARG 33 -2.923 -3.293 13.042 259 HG2 ARG 33 HG2 ARG 33 -3.040 -0.785 13.059 260 HG3 ARG 33 HG3 ARG 33 -4.799 -0.952 13.086 261 HD2 ARG 33 HD2 ARG 33 -4.516 -2.419 15.099 262 HD3 ARG 33 HD3 ARG 33 -2.822 -1.941 15.123 263 HE ARG 33 HE ARG 33 -4.930 0.103 15.245 264 HH11 ARG 33 HH11 ARG 33 -2.119 -1.477 16.615 265 HH12 ARG 33 HH12 ARG 33 -1.981 -0.352 17.939 266 HH21 ARG 33 HH21 ARG 33 -4.761 1.565 16.983 267 HH22 ARG 33 HH22 ARG 33 -3.497 1.359 18.163 268 H TYR 34 H TYR 34 -1.220 -3.588 10.867 269 HA TYR 34 HA TYR 34 0.441 -1.430 11.378 270 HB2 TYR 34 HB2 TYR 34 2.221 -2.753 10.645 271 HB3 TYR 34 HB3 TYR 34 1.013 -3.938 11.113 272 HD1 TYR 34 HD2 TYR 34 -0.602 -4.651 9.068 273 HD2 TYR 34 HD1 TYR 34 3.340 -3.098 8.667 274 HE1 TYR 34 HE2 TYR 34 -0.421 -5.703 6.857 275 HE2 TYR 34 HE1 TYR 34 3.529 -4.145 6.450 276 HH TYR 34 HH TYR 34 0.931 -5.291 4.730 277 H LEU 35 H LEU 35 -1.343 -2.148 8.504 278 HA LEU 35 HA LEU 35 0.180 -0.898 6.533 279 HB2 LEU 35 HB2 LEU 35 -1.813 -2.295 6.125 280 HB3 LEU 35 HB3 LEU 35 -2.828 -1.020 6.766 281 HG LEU 35 HG LEU 35 -2.003 0.454 4.904 282 HD11 LEU 35 HD11 LEU 35 0.046 -0.751 4.384 283 HD12 LEU 35 HD12 LEU 35 -0.992 -0.624 2.961 284 HD13 LEU 35 HD13 LEU 35 -0.896 -2.143 3.853 285 HD21 LEU 35 HD21 LEU 35 -4.183 -0.603 4.807 286 HD22 LEU 35 HD22 LEU 35 -3.464 -2.079 4.162 287 HD23 LEU 35 HD23 LEU 35 -3.439 -0.596 3.208 288 H GLU 36 H GLU 36 -2.167 0.460 8.787 289 HA GLU 36 HA GLU 36 -2.449 2.982 7.566 290 HB2 GLU 36 HB2 GLU 36 -2.821 2.235 10.473 291 HB3 GLU 36 HB3 GLU 36 -3.470 3.665 9.687 292 HG2 GLU 36 HG2 GLU 36 -4.166 0.858 8.876 293 HG3 GLU 36 HG3 GLU 36 -5.085 1.795 10.052 294 H LEU 37 H LEU 37 -0.084 1.734 9.841 295 HA LEU 37 HA LEU 37 0.962 4.445 10.266 296 HB2 LEU 37 HB2 LEU 37 1.418 1.886 11.791 297 HB3 LEU 37 HB3 LEU 37 2.267 3.385 12.124 298 HG LEU 37 HG LEU 37 -0.714 2.949 12.367 299 HD11 LEU 37 HD11 LEU 37 1.413 3.356 14.468 300 HD12 LEU 37 HD12 LEU 37 0.587 1.838 14.121 301 HD13 LEU 37 HD13 LEU 37 -0.318 3.211 14.761 302 HD21 LEU 37 HD21 LEU 37 -0.727 5.200 13.347 303 HD22 LEU 37 HD22 LEU 37 -0.198 5.219 11.666 304 HD23 LEU 37 HD23 LEU 37 0.987 5.369 12.963 305 H TYR 38 H TYR 38 1.936 1.224 9.216 306 HA TYR 38 HA TYR 38 4.722 1.900 9.062 307 HB2 TYR 38 HB2 TYR 38 3.755 -0.393 9.542 308 HB3 TYR 38 HB3 TYR 38 3.325 -0.484 7.840 309 HD1 TYR 38 HD2 TYR 38 6.202 -0.148 10.159 310 HD2 TYR 38 HD1 TYR 38 4.907 -1.194 6.241 311 HE1 TYR 38 HE2 TYR 38 8.431 -1.056 9.671 312 HE2 TYR 38 HE1 TYR 38 7.136 -2.114 5.746 313 HH TYR 38 HH TYR 38 9.441 -2.726 8.145 314 H ILE 39 H ILE 39 2.032 1.692 6.807 315 HA ILE 39 HA ILE 39 3.852 2.198 4.570 316 HB ILE 39 HB ILE 39 0.943 1.377 4.569 317 HG12 ILE 39 HG12 ILE 39 2.412 -0.405 5.318 318 HG13 ILE 39 HG13 ILE 39 1.844 -0.766 3.690 319 HG21 ILE 39 HG21 ILE 39 1.249 1.023 2.146 320 HG22 ILE 39 HG22 ILE 39 2.843 1.767 2.261 321 HG23 ILE 39 HG23 ILE 39 1.398 2.716 2.612 322 HD11 ILE 39 HD11 ILE 39 3.976 -0.003 2.781 323 HD12 ILE 39 HD12 ILE 39 4.195 -1.306 3.947 324 HD13 ILE 39 HD13 ILE 39 4.542 0.359 4.410 325 H PHE 40 H PHE 40 1.252 3.671 6.392 326 HA PHE 40 HA PHE 40 1.529 6.054 4.675 327 HB2 PHE 40 HB2 PHE 40 -0.918 5.289 6.278 328 HB3 PHE 40 HB3 PHE 40 -0.764 6.662 5.194 329 HD1 PHE 40 HD2 PHE 40 -0.507 6.233 2.723 330 HD2 PHE 40 HD1 PHE 40 -1.563 3.185 5.501 331 HE1 PHE 40 HE2 PHE 40 -1.368 4.850 0.877 332 HE2 PHE 40 HE1 PHE 40 -2.430 1.804 3.660 333 HZ PHE 40 HZ PHE 40 -2.336 2.636 1.346 334 HA PRO 41 HA PRO 41 2.641 6.995 9.144 335 HB2 PRO 41 HB2 PRO 41 5.202 7.824 8.791 336 HB3 PRO 41 HB3 PRO 41 4.766 6.136 9.076 337 HG2 PRO 41 HG2 PRO 41 5.490 7.502 6.528 338 HG3 PRO 41 HG3 PRO 41 5.873 5.860 7.072 339 HD2 PRO 41 HD2 PRO 41 3.873 6.485 5.286 340 HD3 PRO 41 HD3 PRO 41 3.911 5.018 6.280 341 H HIS 42 H HIS 42 4.184 8.868 6.523 342 HA HIS 42 HA HIS 42 2.991 11.298 7.661 343 HB2 HIS 42 HB2 HIS 42 5.513 11.132 7.321 344 HB3 HIS 42 HB3 HIS 42 5.189 11.163 5.591 345 HD1 HIS 42 HD1 HIS 42 4.583 13.405 4.534 346 HD2 HIS 42 HD2 HIS 42 5.010 13.566 8.672 347 HE1 HIS 42 HE1 HIS 42 4.614 15.851 5.120 348 HE2 HIS 42 HE2 HIS 42 4.824 15.931 7.630 349 H ILE 43 H ILE 43 2.821 9.128 5.058 350 HA ILE 43 HA ILE 43 1.829 11.104 3.163 351 HB ILE 43 HB ILE 43 1.935 9.297 1.501 352 HG12 ILE 43 HG12 ILE 43 3.092 7.636 3.751 353 HG13 ILE 43 HG13 ILE 43 1.489 7.413 3.055 354 HG21 ILE 43 HG21 ILE 43 3.860 10.745 1.869 355 HG22 ILE 43 HG22 ILE 43 4.368 9.118 1.421 356 HG23 ILE 43 HG23 ILE 43 4.468 9.641 3.103 357 HD11 ILE 43 HD11 ILE 43 4.108 7.093 1.606 358 HD12 ILE 43 HD12 ILE 43 2.505 6.878 0.901 359 HD13 ILE 43 HD13 ILE 43 3.062 5.793 2.175 360 H GLY 44 H GLY 44 0.312 9.884 5.560 361 HA2 GLY 44 HA2 GLY 44 -1.738 8.211 4.595 362 HA3 GLY 44 HA3 GLY 44 -1.820 9.193 6.047 363 H SER 45 H SER 45 -1.202 11.460 3.900 364 HA SER 45 HA SER 45 -3.988 12.191 3.575 365 HB2 SER 45 HB2 SER 45 -2.294 13.842 4.348 366 HB3 SER 45 HB3 SER 45 -1.472 13.690 2.799 367 HG SER 45 HG SER 45 -4.017 14.217 2.292 368 H SER 46 H SER 46 -2.205 10.141 1.897 369 HA SER 46 HA SER 46 -2.333 11.199 -0.753 370 HB2 SER 46 HB2 SER 46 -1.883 8.358 0.184 371 HB3 SER 46 HB3 SER 46 -1.642 8.945 -1.463 372 HG SER 46 HG SER 46 -0.150 9.448 0.857 373 H ASP 47 H ASP 47 -3.689 10.726 -2.402 374 HA ASP 47 HA ASP 47 -6.344 9.723 -1.660 375 HB2 ASP 47 HB2 ASP 47 -6.023 12.022 -2.689 376 HB3 ASP 47 HB3 ASP 47 -5.490 11.220 -4.158 377 H ILE 48 H ILE 48 -7.144 7.856 -2.585 378 HA ILE 48 HA ILE 48 -5.335 6.220 -4.113 379 HB ILE 48 HB ILE 48 -6.870 5.172 -2.505 380 HG12 ILE 48 HG12 ILE 48 -7.404 4.364 -5.377 381 HG13 ILE 48 HG13 ILE 48 -6.017 3.872 -4.410 382 HG21 ILE 48 HG21 ILE 48 -8.778 6.664 -2.758 383 HG22 ILE 48 HG22 ILE 48 -9.263 4.985 -2.995 384 HG23 ILE 48 HG23 ILE 48 -9.058 6.048 -4.386 385 HD11 ILE 48 HD11 ILE 48 -8.885 3.189 -3.836 386 HD12 ILE 48 HD12 ILE 48 -7.485 2.673 -2.895 387 HD13 ILE 48 HD13 ILE 48 -7.686 2.115 -4.556 388 H ARG 49 H ARG 49 -7.817 8.476 -4.767 389 HA ARG 49 HA ARG 49 -8.346 7.626 -7.465 390 HB2 ARG 49 HB2 ARG 49 -10.026 8.818 -6.175 391 HB3 ARG 49 HB3 ARG 49 -8.939 10.179 -5.960 392 HG2 ARG 49 HG2 ARG 49 -8.985 10.282 -8.557 393 HG3 ARG 49 HG3 ARG 49 -10.469 9.338 -8.378 394 HD2 ARG 49 HD2 ARG 49 -10.792 11.829 -8.447 395 HD3 ARG 49 HD3 ARG 49 -11.471 11.027 -7.027 396 HE ARG 49 HE ARG 49 -9.474 11.766 -5.803 397 HH11 ARG 49 HH11 ARG 49 -10.356 13.435 -8.754 398 HH12 ARG 49 HH12 ARG 49 -9.426 14.854 -8.374 399 HH21 ARG 49 HH21 ARG 49 -8.215 13.569 -5.326 400 HH22 ARG 49 HH22 ARG 49 -8.174 14.924 -6.427 401 H GLN 50 H GLN 50 -5.967 9.461 -5.833 402 HA GLN 50 HA GLN 50 -4.712 10.129 -8.386 403 HB2 GLN 50 HB2 GLN 50 -5.846 12.173 -7.604 404 HB3 GLN 50 HB3 GLN 50 -4.986 12.065 -6.076 405 HG2 GLN 50 HG2 GLN 50 -3.979 13.723 -7.532 406 HG3 GLN 50 HG3 GLN 50 -2.867 12.392 -7.224 407 HE21 GLN 50 HE21 GLN 50 -2.287 11.028 -8.898 408 HE22 GLN 50 HE22 GLN 50 -2.643 11.383 -10.551 409 H LEU 51 H LEU 51 -3.474 8.268 -7.867 410 HA LEU 51 HA LEU 51 -1.839 8.263 -5.492 411 HB2 LEU 51 HB2 LEU 51 -2.902 6.251 -6.755 412 HB3 LEU 51 HB3 LEU 51 -1.533 6.405 -7.836 413 HG LEU 51 HG LEU 51 -1.392 4.668 -5.965 414 HD11 LEU 51 HD11 LEU 51 0.536 5.314 -7.287 415 HD12 LEU 51 HD12 LEU 51 0.991 5.074 -5.600 416 HD13 LEU 51 HD13 LEU 51 0.807 6.706 -6.240 417 HD21 LEU 51 HD21 LEU 51 -0.843 7.139 -4.328 418 HD22 LEU 51 HD22 LEU 51 -0.635 5.470 -3.795 419 HD23 LEU 51 HD23 LEU 51 -2.246 6.083 -4.165 420 H LYS 52 H LYS 52 0.352 8.650 -5.398 421 HA LYS 52 HA LYS 52 1.346 10.240 -7.648 422 HB2 LYS 52 HB2 LYS 52 1.910 10.342 -4.695 423 HB3 LYS 52 HB3 LYS 52 2.888 11.220 -5.869 424 HG2 LYS 52 HG2 LYS 52 0.891 12.420 -6.622 425 HG3 LYS 52 HG3 LYS 52 -0.088 11.538 -5.450 426 HD2 LYS 52 HD2 LYS 52 1.081 12.557 -3.620 427 HD3 LYS 52 HD3 LYS 52 2.256 13.291 -4.716 428 HE2 LYS 52 HE2 LYS 52 0.336 14.531 -5.768 429 HE3 LYS 52 HE3 LYS 52 -0.673 13.941 -4.447 430 HZ1 LYS 52 HZ1 LYS 52 0.698 15.089 -2.870 431 HZ2 LYS 52 HZ2 LYS 52 0.248 16.193 -4.077 432 HZ3 LYS 52 HZ3 LYS 52 1.807 15.535 -4.073 433 H THR 53 H THR 53 3.814 10.413 -7.685 434 HA THR 53 HA THR 53 4.814 7.827 -8.323 435 HB THR 53 HB THR 53 6.638 10.188 -8.148 436 HG1 THR 53 HG1 THR 53 5.413 10.359 -10.482 437 HG21 THR 53 HG21 THR 53 7.435 9.312 -10.287 438 HG22 THR 53 HG22 THR 53 6.147 8.107 -10.288 439 HG23 THR 53 HG23 THR 53 7.421 8.036 -9.070 440 H SER 54 H SER 54 7.461 7.860 -7.627 441 HA SER 54 HA SER 54 7.225 6.558 -5.119 442 HB2 SER 54 HB2 SER 54 9.767 6.265 -5.552 443 HB3 SER 54 HB3 SER 54 8.621 5.512 -6.666 444 HG SER 54 HG SER 54 10.275 6.666 -7.776 445 H HIS 55 H HIS 55 7.185 9.711 -5.262 446 HA HIS 55 HA HIS 55 9.479 10.376 -3.663 447 HB2 HIS 55 HB2 HIS 55 8.525 12.592 -3.403 448 HB3 HIS 55 HB3 HIS 55 8.435 12.097 -5.084 449 HD1 HIS 55 HD1 HIS 55 6.218 12.565 -2.043 450 HD2 HIS 55 HD2 HIS 55 5.934 12.193 -6.180 451 HE1 HIS 55 HE1 HIS 55 3.834 13.118 -2.618 452 HE2 HIS 55 HE2 HIS 55 3.797 13.196 -5.139 453 H LEU 56 H LEU 56 6.293 9.226 -3.104 454 HA LEU 56 HA LEU 56 6.224 9.830 -0.301 455 HB2 LEU 56 HB2 LEU 56 4.216 8.434 -0.264 456 HB3 LEU 56 HB3 LEU 56 4.155 9.626 -1.545 457 HG LEU 56 HG LEU 56 5.019 7.631 -3.033 458 HD11 LEU 56 HD11 LEU 56 4.097 5.477 -2.313 459 HD12 LEU 56 HD12 LEU 56 3.682 6.185 -0.751 460 HD13 LEU 56 HD13 LEU 56 5.372 6.044 -1.236 461 HD21 LEU 56 HD21 LEU 56 2.178 7.799 -2.043 462 HD22 LEU 56 HD22 LEU 56 2.715 7.076 -3.559 463 HD23 LEU 56 HD23 LEU 56 2.893 8.812 -3.299 464 H LEU 57 H LEU 57 7.797 7.535 -2.184 465 HA LEU 57 HA LEU 57 7.703 5.309 -0.371 466 HB2 LEU 57 HB2 LEU 57 7.939 4.996 -2.781 467 HB3 LEU 57 HB3 LEU 57 9.447 5.888 -2.768 468 HG LEU 57 HG LEU 57 10.399 4.102 -1.289 469 HD11 LEU 57 HD11 LEU 57 9.259 1.949 -1.204 470 HD12 LEU 57 HD12 LEU 57 7.874 2.634 -2.054 471 HD13 LEU 57 HD13 LEU 57 8.287 3.206 -0.437 472 HD21 LEU 57 HD21 LEU 57 10.756 2.522 -3.114 473 HD22 LEU 57 HD22 LEU 57 10.849 4.185 -3.692 474 HD23 LEU 57 HD23 LEU 57 9.402 3.224 -4.000 475 H ALA 58 H ALA 58 9.436 8.187 -0.479 476 HA ALA 58 HA ALA 58 12.019 7.618 0.216 477 HB1 ALA 58 HB1 ALA 58 11.166 9.865 -0.265 478 HB2 ALA 58 HB2 ALA 58 12.155 9.818 1.196 479 HB3 ALA 58 HB3 ALA 58 10.398 9.899 1.322 480 HA PRO 59 HA PRO 59 10.945 7.542 4.971 481 HB2 PRO 59 HB2 PRO 59 8.371 6.760 5.543 482 HB3 PRO 59 HB3 PRO 59 8.958 8.419 5.555 483 HG2 PRO 59 HG2 PRO 59 7.448 6.977 3.428 484 HG3 PRO 59 HG3 PRO 59 7.256 8.643 4.004 485 HD2 PRO 59 HD2 PRO 59 8.544 8.083 1.721 486 HD3 PRO 59 HD3 PRO 59 9.065 9.406 2.784 487 H ILE 60 H ILE 60 9.367 5.356 2.708 488 HA ILE 60 HA ILE 60 9.580 3.048 4.385 489 HB ILE 60 HB ILE 60 9.142 3.315 1.398 490 HG12 ILE 60 HG12 ILE 60 6.856 2.364 2.100 491 HG13 ILE 60 HG13 ILE 60 7.315 2.796 3.741 492 HG21 ILE 60 HG21 ILE 60 9.051 0.813 3.079 493 HG22 ILE 60 HG22 ILE 60 10.232 1.188 1.827 494 HG23 ILE 60 HG23 ILE 60 8.543 0.933 1.396 495 HD11 ILE 60 HD11 ILE 60 7.094 4.705 1.427 496 HD12 ILE 60 HD12 ILE 60 7.498 5.128 3.091 497 HD13 ILE 60 HD13 ILE 60 5.899 4.487 2.705 498 H LYS 61 H LYS 61 11.685 4.778 2.264 499 HA LYS 61 HA LYS 61 13.508 2.629 1.730 500 HB2 LYS 61 HB2 LYS 61 13.958 5.617 1.595 501 HB3 LYS 61 HB3 LYS 61 15.064 4.395 0.972 502 HG2 LYS 61 HG2 LYS 61 12.299 5.052 0.002 503 HG3 LYS 61 HG3 LYS 61 13.828 5.177 -0.875 504 HD2 LYS 61 HD2 LYS 61 13.123 2.518 0.204 505 HD3 LYS 61 HD3 LYS 61 12.148 3.110 -1.128 506 HE2 LYS 61 HE2 LYS 61 14.000 1.771 -1.963 507 HE3 LYS 61 HE3 LYS 61 14.197 3.452 -2.454 508 HZ1 LYS 61 HZ1 LYS 61 15.738 3.720 -0.560 509 HZ2 LYS 61 HZ2 LYS 61 16.286 2.615 -1.709 510 HZ3 LYS 61 HZ3 LYS 61 15.632 2.058 -0.246 511 H GLU 62 H GLU 62 12.997 4.814 4.262 512 HA GLU 62 HA GLU 62 15.493 4.829 5.527 513 HB2 GLU 62 HB2 GLU 62 13.578 6.306 6.091 514 HB3 GLU 62 HB3 GLU 62 12.764 4.930 6.822 515 HG2 GLU 62 HG2 GLU 62 14.520 4.740 8.478 516 HG3 GLU 62 HG3 GLU 62 15.402 6.067 7.718 517 H VAL 63 H VAL 63 12.699 2.660 6.030 518 HA VAL 63 HA VAL 63 14.200 0.949 7.790 519 HB VAL 63 HB VAL 63 11.726 1.234 7.983 520 HG11 VAL 63 HG11 VAL 63 11.667 -0.423 5.470 521 HG12 VAL 63 HG12 VAL 63 11.088 1.233 5.661 522 HG13 VAL 63 HG13 VAL 63 10.274 -0.089 6.496 523 HG21 VAL 63 HG21 VAL 63 12.712 -1.587 7.580 524 HG22 VAL 63 HG22 VAL 63 11.247 -1.136 8.449 525 HG23 VAL 63 HG23 VAL 63 12.824 -0.638 9.062 526 H ASP 64 H ASP 64 13.455 1.095 4.403 527 HA ASP 64 HA ASP 64 14.150 -1.449 3.536 528 HB2 ASP 64 HB2 ASP 64 13.394 -0.303 1.740 529 HB3 ASP 64 HB3 ASP 64 13.956 1.239 2.366 530 H THR 65 H THR 65 16.257 1.391 3.931 531 HA THR 65 HA THR 65 18.611 -0.044 3.201 532 HB THR 65 HB THR 65 18.411 2.620 4.623 533 HG1 THR 65 HG1 THR 65 17.399 2.018 2.305 534 HG21 THR 65 HG21 THR 65 20.570 1.434 2.869 535 HG22 THR 65 HG22 THR 65 20.667 1.667 4.615 536 HG23 THR 65 HG23 THR 65 20.573 3.064 3.542 537 H SER 66 H SER 66 16.829 0.204 6.102 538 HA SER 66 HA SER 66 18.941 -0.283 7.943 539 HB2 SER 66 HB2 SER 66 15.968 -0.811 8.144 540 HB3 SER 66 HB3 SER 66 17.101 -1.000 9.482 541 HG SER 66 HG SER 66 17.284 1.112 9.662 542 H GLY 67 H GLY 67 17.331 -2.252 5.644 543 HA2 GLY 67 HA2 GLY 67 18.554 -4.350 5.158 544 HA3 GLY 67 HA3 GLY 67 18.553 -4.644 6.889 545 H LYS 68 H LYS 68 15.633 -3.316 6.248 546 HA LYS 68 HA LYS 68 14.378 -5.978 6.138 547 HB2 LYS 68 HB2 LYS 68 13.259 -3.342 7.104 548 HB3 LYS 68 HB3 LYS 68 12.446 -4.897 7.188 549 HG2 LYS 68 HG2 LYS 68 15.091 -4.491 8.516 550 HG3 LYS 68 HG3 LYS 68 13.602 -3.960 9.280 551 HD2 LYS 68 HD2 LYS 68 14.045 -6.133 10.123 552 HD3 LYS 68 HD3 LYS 68 12.729 -6.306 8.963 553 HE2 LYS 68 HE2 LYS 68 14.360 -7.027 7.262 554 HE3 LYS 68 HE3 LYS 68 15.644 -6.906 8.461 555 HZ1 LYS 68 HZ1 LYS 68 13.293 -8.708 8.627 556 HZ2 LYS 68 HZ2 LYS 68 14.537 -8.597 9.774 557 HZ3 LYS 68 HZ3 LYS 68 14.872 -9.176 8.214 558 H HIS 69 H HIS 69 15.327 -4.341 3.886 559 HA HIS 69 HA HIS 69 13.280 -2.971 2.593 560 HB2 HIS 69 HB2 HIS 69 14.625 -3.041 0.600 561 HB3 HIS 69 HB3 HIS 69 15.671 -2.796 1.989 562 HD1 HIS 69 HD1 HIS 69 17.660 -4.301 2.129 563 HD2 HIS 69 HD2 HIS 69 14.726 -5.797 -0.415 564 HE1 HIS 69 HE1 HIS 69 18.671 -6.322 1.034 565 HE2 HIS 69 HE2 HIS 69 16.964 -7.061 -0.664 566 H ASP 70 H ASP 70 13.775 -6.418 2.809 567 HA ASP 70 HA ASP 70 12.511 -7.192 0.412 568 HB2 ASP 70 HB2 ASP 70 13.837 -8.724 1.876 569 HB3 ASP 70 HB3 ASP 70 12.491 -8.738 3.015 570 H VAL 71 H VAL 71 11.151 -6.941 3.693 571 HA VAL 71 HA VAL 71 8.525 -7.606 2.848 572 HB VAL 71 HB VAL 71 7.798 -6.867 5.093 573 HG11 VAL 71 HG11 VAL 71 10.244 -8.628 5.039 574 HG12 VAL 71 HG12 VAL 71 8.574 -9.134 4.777 575 HG13 VAL 71 HG13 VAL 71 9.079 -8.544 6.359 576 HG21 VAL 71 HG21 VAL 71 9.485 -6.183 6.749 577 HG22 VAL 71 HG22 VAL 71 9.316 -5.006 5.449 578 HG23 VAL 71 HG23 VAL 71 10.695 -6.104 5.468 579 H ALA 72 H ALA 72 10.243 -4.580 3.311 580 HA ALA 72 HA ALA 72 8.048 -2.837 3.031 581 HB1 ALA 72 HB1 ALA 72 10.942 -2.382 2.301 582 HB2 ALA 72 HB2 ALA 72 10.214 -2.089 3.879 583 HB3 ALA 72 HB3 ALA 72 9.716 -1.127 2.487 584 H GLN 73 H GLN 73 10.241 -4.326 0.708 585 HA GLN 73 HA GLN 73 9.311 -3.062 -1.619 586 HB2 GLN 73 HB2 GLN 73 11.351 -4.647 -1.229 587 HB3 GLN 73 HB3 GLN 73 10.212 -5.921 -1.627 588 HG2 GLN 73 HG2 GLN 73 9.939 -5.203 -3.794 589 HG3 GLN 73 HG3 GLN 73 10.480 -3.571 -3.424 590 HE21 GLN 73 HE21 GLN 73 11.352 -5.327 -5.538 591 HE22 GLN 73 HE22 GLN 73 13.049 -5.561 -5.328 592 H ARG 74 H ARG 74 8.388 -6.069 -0.065 593 HA ARG 74 HA ARG 74 6.513 -7.074 -1.808 594 HB2 ARG 74 HB2 ARG 74 6.160 -7.019 1.194 595 HB3 ARG 74 HB3 ARG 74 5.441 -8.166 0.075 596 HG2 ARG 74 HG2 ARG 74 8.363 -7.891 0.740 597 HG3 ARG 74 HG3 ARG 74 7.278 -9.186 1.248 598 HD2 ARG 74 HD2 ARG 74 7.021 -9.925 -1.030 599 HD3 ARG 74 HD3 ARG 74 7.955 -8.550 -1.620 600 HE ARG 74 HE ARG 74 9.651 -9.806 0.107 601 HH11 ARG 74 HH11 ARG 74 7.805 -10.863 -2.675 602 HH12 ARG 74 HH12 ARG 74 8.973 -12.051 -3.172 603 HH21 ARG 74 HH21 ARG 74 11.198 -11.327 -0.532 604 HH22 ARG 74 HH22 ARG 74 10.915 -12.328 -1.932 605 H LEU 75 H LEU 75 6.055 -4.533 0.603 606 HA LEU 75 HA LEU 75 3.263 -4.262 0.098 607 HB2 LEU 75 HB2 LEU 75 5.275 -2.784 1.714 608 HB3 LEU 75 HB3 LEU 75 3.775 -1.967 1.320 609 HG LEU 75 HG LEU 75 3.607 -2.984 3.506 610 HD11 LEU 75 HD11 LEU 75 1.608 -4.351 3.175 611 HD12 LEU 75 HD12 LEU 75 1.981 -4.472 1.456 612 HD13 LEU 75 HD13 LEU 75 1.591 -2.906 2.164 613 HD21 LEU 75 HD21 LEU 75 3.725 -5.399 3.825 614 HD22 LEU 75 HD22 LEU 75 5.259 -4.761 3.233 615 HD23 LEU 75 HD23 LEU 75 4.171 -5.608 2.132 616 H GLN 76 H GLN 76 6.109 -2.334 -0.875 617 HA GLN 76 HA GLN 76 4.570 -0.360 -2.198 618 HB2 GLN 76 HB2 GLN 76 6.706 0.346 -3.211 619 HB3 GLN 76 HB3 GLN 76 6.787 0.179 -1.470 620 HG2 GLN 76 HG2 GLN 76 8.708 -0.865 -1.917 621 HG3 GLN 76 HG3 GLN 76 7.669 -2.249 -2.249 622 HE21 GLN 76 HE21 GLN 76 9.626 0.261 -3.614 623 HE22 GLN 76 HE22 GLN 76 9.713 -0.380 -5.218 624 H GLN 77 H GLN 77 6.078 -3.317 -3.295 625 HA GLN 77 HA GLN 77 5.442 -3.078 -6.028 626 HB2 GLN 77 HB2 GLN 77 7.024 -4.743 -5.185 627 HB3 GLN 77 HB3 GLN 77 5.738 -5.550 -4.308 628 HG2 GLN 77 HG2 GLN 77 5.469 -5.257 -7.248 629 HG3 GLN 77 HG3 GLN 77 6.616 -6.437 -6.622 630 HE21 GLN 77 HE21 GLN 77 4.142 -6.841 -8.123 631 HE22 GLN 77 HE22 GLN 77 3.161 -7.878 -7.144 632 H ARG 78 H ARG 78 3.597 -4.120 -3.243 633 HA ARG 78 HA ARG 78 1.421 -5.160 -4.783 634 HB2 ARG 78 HB2 ARG 78 2.078 -5.804 -2.389 635 HB3 ARG 78 HB3 ARG 78 1.260 -4.329 -1.895 636 HG2 ARG 78 HG2 ARG 78 -0.134 -6.364 -1.712 637 HG3 ARG 78 HG3 ARG 78 -0.828 -5.119 -2.754 638 HD2 ARG 78 HD2 ARG 78 -0.989 -7.457 -3.644 639 HD3 ARG 78 HD3 ARG 78 -0.203 -6.304 -4.719 640 HE ARG 78 HE ARG 78 1.855 -7.439 -3.334 641 HH11 ARG 78 HH11 ARG 78 -0.764 -8.687 -5.300 642 HH12 ARG 78 HH12 ARG 78 0.153 -10.051 -5.881 643 HH21 ARG 78 HH21 ARG 78 3.065 -9.215 -4.108 644 HH22 ARG 78 HH22 ARG 78 2.323 -10.371 -5.170 645 H VAL 79 H VAL 79 2.212 -2.065 -3.301 646 HA VAL 79 HA VAL 79 -0.227 -0.739 -3.686 647 HB VAL 79 HB VAL 79 2.567 0.396 -4.000 648 HG11 VAL 79 HG11 VAL 79 1.519 2.570 -3.534 649 HG12 VAL 79 HG12 VAL 79 -0.066 1.800 -3.573 650 HG13 VAL 79 HG13 VAL 79 0.927 1.848 -5.029 651 HG21 VAL 79 HG21 VAL 79 2.305 1.174 -1.697 652 HG22 VAL 79 HG22 VAL 79 2.213 -0.586 -1.798 653 HG23 VAL 79 HG23 VAL 79 0.739 0.362 -1.600 654 H THR 80 H THR 80 2.481 -1.299 -5.871 655 HA THR 80 HA THR 80 1.422 0.044 -8.109 656 HB THR 80 HB THR 80 3.308 -2.318 -8.175 657 HG1 THR 80 HG1 THR 80 4.278 -0.902 -6.777 658 HG21 THR 80 HG21 THR 80 4.208 -1.170 -10.158 659 HG22 THR 80 HG22 THR 80 2.970 0.077 -9.987 660 HG23 THR 80 HG23 THR 80 2.505 -1.583 -10.360 661 H ALA 81 H ALA 81 1.062 -3.236 -6.880 662 HA ALA 81 HA ALA 81 -0.337 -4.291 -9.105 663 HB1 ALA 81 HB1 ALA 81 -0.999 -6.095 -7.617 664 HB2 ALA 81 HB2 ALA 81 -0.467 -5.157 -6.221 665 HB3 ALA 81 HB3 ALA 81 0.710 -5.711 -7.409 666 H ILE 82 H ILE 82 -1.352 -2.544 -6.219 667 HA ILE 82 HA ILE 82 -4.133 -2.799 -6.534 668 HB ILE 82 HB ILE 82 -2.585 -0.445 -5.418 669 HG12 ILE 82 HG12 ILE 82 -3.860 -2.794 -3.992 670 HG13 ILE 82 HG13 ILE 82 -2.133 -2.615 -4.286 671 HG21 ILE 82 HG21 ILE 82 -4.650 0.138 -4.258 672 HG22 ILE 82 HG22 ILE 82 -5.481 -1.210 -5.034 673 HG23 ILE 82 HG23 ILE 82 -4.890 0.139 -6.005 674 HD11 ILE 82 HD11 ILE 82 -2.706 -2.000 -2.010 675 HD12 ILE 82 HD12 ILE 82 -3.840 -0.786 -2.607 676 HD13 ILE 82 HD13 ILE 82 -2.110 -0.601 -2.905 677 H MET 83 H MET 83 -1.811 -0.496 -7.862 678 HA MET 83 HA MET 83 -3.553 1.238 -9.171 679 HB2 MET 83 HB2 MET 83 -0.762 0.367 -9.919 680 HB3 MET 83 HB3 MET 83 -1.625 1.663 -10.728 681 HG2 MET 83 HG2 MET 83 -1.006 1.643 -7.788 682 HG3 MET 83 HG3 MET 83 0.016 2.395 -9.008 683 HE1 MET 83 HE1 MET 83 -4.069 3.919 -7.524 684 HE2 MET 83 HE2 MET 83 -3.051 2.720 -6.724 685 HE3 MET 83 HE3 MET 83 -3.910 2.299 -8.206 686 H ARG 84 H ARG 84 -2.349 -1.915 -10.124 687 HA ARG 84 HA ARG 84 -3.075 -1.911 -12.815 688 HB2 ARG 84 HB2 ARG 84 -3.081 -4.206 -10.848 689 HB3 ARG 84 HB3 ARG 84 -3.187 -4.383 -12.594 690 HG2 ARG 84 HG2 ARG 84 -0.874 -3.156 -11.105 691 HG3 ARG 84 HG3 ARG 84 -0.930 -4.798 -11.754 692 HD2 ARG 84 HD2 ARG 84 -1.267 -3.852 -14.016 693 HD3 ARG 84 HD3 ARG 84 -1.098 -2.233 -13.336 694 HE ARG 84 HE ARG 84 1.180 -3.412 -12.536 695 HH11 ARG 84 HH11 ARG 84 -0.411 -3.259 -15.660 696 HH12 ARG 84 HH12 ARG 84 1.075 -3.364 -16.557 697 HH21 ARG 84 HH21 ARG 84 3.138 -3.514 -13.729 698 HH22 ARG 84 HH22 ARG 84 3.080 -3.479 -15.468 699 H TYR 85 H TYR 85 -4.992 -2.817 -9.958 700 HA TYR 85 HA TYR 85 -7.327 -3.366 -11.520 701 HB2 TYR 85 HB2 TYR 85 -6.946 -3.085 -8.535 702 HB3 TYR 85 HB3 TYR 85 -8.437 -3.620 -9.314 703 HD1 TYR 85 HD1 TYR 85 -8.513 -5.768 -10.510 704 HD2 TYR 85 HD2 TYR 85 -5.041 -4.567 -8.367 705 HE1 TYR 85 HE1 TYR 85 -7.657 -8.069 -10.621 706 HE2 TYR 85 HE2 TYR 85 -4.179 -6.869 -8.463 707 HH TYR 85 HH TYR 85 -5.144 -9.194 -8.727 708 H ALA 86 H ALA 86 -6.040 -0.615 -9.809 709 HA ALA 86 HA ALA 86 -8.309 1.045 -9.870 710 HB1 ALA 86 HB1 ALA 86 -6.271 1.609 -8.637 711 HB2 ALA 86 HB2 ALA 86 -6.736 2.906 -9.739 712 HB3 ALA 86 HB3 ALA 86 -5.410 1.823 -10.160 713 H VAL 87 H VAL 87 -5.820 0.367 -12.289 714 HA VAL 87 HA VAL 87 -6.658 2.152 -14.282 715 HB VAL 87 HB VAL 87 -5.340 -0.558 -14.587 716 HG11 VAL 87 HG11 VAL 87 -6.399 0.136 -16.680 717 HG12 VAL 87 HG12 VAL 87 -4.640 0.199 -16.800 718 HG13 VAL 87 HG13 VAL 87 -5.564 1.687 -16.591 719 HG21 VAL 87 HG21 VAL 87 -4.178 2.223 -14.534 720 HG22 VAL 87 HG22 VAL 87 -3.276 0.735 -14.825 721 HG23 VAL 87 HG23 VAL 87 -4.039 1.012 -13.259 722 H GLN 88 H GLN 88 -7.977 -0.897 -13.238 723 HA GLN 88 HA GLN 88 -9.399 -1.651 -15.535 724 HB2 GLN 88 HB2 GLN 88 -9.024 -2.962 -13.343 725 HB3 GLN 88 HB3 GLN 88 -10.429 -2.100 -12.743 726 HG2 GLN 88 HG2 GLN 88 -11.119 -4.241 -13.529 727 HG3 GLN 88 HG3 GLN 88 -11.738 -3.009 -14.629 728 HE21 GLN 88 HE21 GLN 88 -11.943 -4.421 -16.331 729 HE22 GLN 88 HE22 GLN 88 -10.573 -5.051 -17.184 730 H ASN 89 H ASN 89 -10.088 0.692 -13.043 731 HA ASN 89 HA ASN 89 -12.837 1.039 -13.924 732 HB2 ASN 89 HB2 ASN 89 -11.523 1.384 -11.495 733 HB3 ASN 89 HB3 ASN 89 -11.863 3.025 -12.036 734 HD21 ASN 89 HD21 ASN 89 -13.825 0.215 -12.802 735 HD22 ASN 89 HD22 ASN 89 -15.194 0.688 -11.856 736 H ASP 90 H ASP 90 -9.856 2.123 -14.850 737 HA ASP 90 HA ASP 90 -9.127 3.639 -16.358 738 HB2 ASP 90 HB2 ASP 90 -12.080 3.959 -16.886 739 HB3 ASP 90 HB3 ASP 90 -10.836 4.768 -17.828 740 H TYR 91 H TYR 91 -10.192 4.555 -13.519 741 HA TYR 91 HA TYR 91 -10.977 7.262 -14.079 742 HB2 TYR 91 HB2 TYR 91 -11.231 7.566 -11.712 743 HB3 TYR 91 HB3 TYR 91 -11.900 6.003 -12.146 744 HD1 TYR 91 HD1 TYR 91 -10.793 3.935 -11.415 745 HD2 TYR 91 HD2 TYR 91 -9.305 7.761 -10.300 746 HE1 TYR 91 HE1 TYR 91 -9.445 2.890 -9.643 747 HE2 TYR 91 HE2 TYR 91 -7.953 6.729 -8.530 748 HH TYR 91 HH TYR 91 -7.741 4.798 -7.265 749 H ILE 92 H ILE 92 -7.978 5.671 -13.305 750 HA ILE 92 HA ILE 92 -6.650 8.208 -12.797 751 HB ILE 92 HB ILE 92 -4.555 6.770 -12.707 752 HG12 ILE 92 HG12 ILE 92 -6.614 4.553 -12.625 753 HG13 ILE 92 HG13 ILE 92 -5.469 4.832 -13.935 754 HG21 ILE 92 HG21 ILE 92 -6.780 6.269 -10.738 755 HG22 ILE 92 HG22 ILE 92 -5.645 7.620 -10.722 756 HG23 ILE 92 HG23 ILE 92 -5.066 5.979 -10.440 757 HD11 ILE 92 HD11 ILE 92 -4.768 4.115 -11.095 758 HD12 ILE 92 HD12 ILE 92 -3.618 4.389 -12.404 759 HD13 ILE 92 HD13 ILE 92 -4.738 3.030 -12.486 760 H ASP 93 H ASP 93 -7.085 5.932 -15.360 761 HA ASP 93 HA ASP 93 -6.638 5.980 -17.573 762 HB2 ASP 93 HB2 ASP 93 -7.286 8.294 -17.642 763 HB3 ASP 93 HB3 ASP 93 -5.730 8.801 -16.995 764 H SER 94 H SER 94 -3.942 7.708 -15.997 765 HA SER 94 HA SER 94 -2.027 6.318 -17.660 766 HB2 SER 94 HB2 SER 94 -1.780 8.731 -17.019 767 HB3 SER 94 HB3 SER 94 -1.531 8.221 -15.353 768 HG SER 94 HG SER 94 0.198 8.199 -17.477 769 H ASN 95 H ASN 95 0.016 5.534 -16.377 770 HA ASN 95 HA ASN 95 -0.914 3.719 -14.248 771 HB2 ASN 95 HB2 ASN 95 1.237 3.261 -16.331 772 HB3 ASN 95 HB3 ASN 95 0.898 2.172 -14.990 773 HD21 ASN 95 HD21 ASN 95 -0.924 0.896 -15.040 774 HD22 ASN 95 HD22 ASN 95 -1.863 0.683 -16.480 775 HA PRO 96 HA PRO 96 2.312 6.333 -12.336 776 HB2 PRO 96 HB2 PRO 96 0.801 6.330 -9.907 777 HB3 PRO 96 HB3 PRO 96 1.045 7.666 -11.031 778 HG2 PRO 96 HG2 PRO 96 -1.373 6.394 -10.580 779 HG3 PRO 96 HG3 PRO 96 -0.980 7.359 -12.011 780 HD2 PRO 96 HD2 PRO 96 -0.999 4.396 -11.667 781 HD3 PRO 96 HD3 PRO 96 -1.446 5.377 -13.075 782 H ALA 97 H ALA 97 3.148 6.079 -9.919 783 HA ALA 97 HA ALA 97 4.458 4.844 -8.532 784 HB1 ALA 97 HB1 ALA 97 2.303 4.036 -7.727 785 HB2 ALA 97 HB2 ALA 97 3.527 2.771 -7.646 786 HB3 ALA 97 HB3 ALA 97 2.323 2.750 -8.934 787 H SER 98 H SER 98 4.691 4.581 -11.544 788 HA SER 98 HA SER 98 5.500 1.956 -12.178 789 HB2 SER 98 HB2 SER 98 6.618 3.260 -14.136 790 HB3 SER 98 HB3 SER 98 4.860 3.268 -13.997 791 HG SER 98 HG SER 98 6.448 5.353 -14.065 792 H ASP 99 H ASP 99 7.130 4.629 -10.707 793 HA ASP 99 HA ASP 99 9.785 3.660 -11.293 794 HB2 ASP 99 HB2 ASP 99 9.210 6.091 -11.128 795 HB3 ASP 99 HB3 ASP 99 8.950 5.868 -9.404 796 H MET 100 H MET 100 7.435 2.915 -8.995 797 HA MET 100 HA MET 100 8.883 2.641 -6.616 798 HB2 MET 100 HB2 MET 100 6.575 0.976 -7.636 799 HB3 MET 100 HB3 MET 100 7.188 0.927 -5.991 800 HG2 MET 100 HG2 MET 100 5.980 3.327 -7.344 801 HG3 MET 100 HG3 MET 100 5.170 2.276 -6.187 802 HE1 MET 100 HE1 MET 100 4.496 4.210 -4.560 803 HE2 MET 100 HE2 MET 100 5.130 5.323 -5.769 804 HE3 MET 100 HE3 MET 100 5.599 5.498 -4.079 805 H ALA 101 H ALA 101 8.266 0.228 -9.146 806 HA ALA 101 HA ALA 101 10.240 -1.557 -7.932 807 HB1 ALA 101 HB1 ALA 101 9.370 -3.251 -9.430 808 HB2 ALA 101 HB2 ALA 101 8.377 -2.050 -10.255 809 HB3 ALA 101 HB3 ALA 101 8.043 -2.467 -8.575 810 H GLY 102 H GLY 102 10.697 1.003 -9.610 811 HA2 GLY 102 HA2 GLY 102 12.626 -0.248 -11.468 812 HA3 GLY 102 HA3 GLY 102 11.668 1.150 -11.937 813 H ALA 103 H ALA 103 12.414 1.399 -8.721 814 HA ALA 103 HA ALA 103 14.166 3.607 -9.207 815 HB1 ALA 103 HB1 ALA 103 13.358 2.368 -6.580 816 HB2 ALA 103 HB2 ALA 103 12.473 3.639 -7.425 817 HB3 ALA 103 HB3 ALA 103 14.098 3.953 -6.812 818 H LEU 104 H LEU 104 14.581 0.297 -8.084 819 HA LEU 104 HA LEU 104 17.455 0.691 -8.241 820 HB2 LEU 104 HB2 LEU 104 17.827 -0.612 -6.216 821 HB3 LEU 104 HB3 LEU 104 16.979 0.878 -5.889 822 HG LEU 104 HG LEU 104 15.518 -1.749 -6.130 823 HD11 LEU 104 HD11 LEU 104 15.662 -1.969 -3.714 824 HD12 LEU 104 HD12 LEU 104 16.689 -0.537 -3.626 825 HD13 LEU 104 HD13 LEU 104 17.272 -1.994 -4.431 826 HD21 LEU 104 HD21 LEU 104 14.877 0.826 -4.685 827 HD22 LEU 104 HD22 LEU 104 13.854 -0.609 -4.766 828 HD23 LEU 104 HD23 LEU 104 14.192 0.318 -6.228 829 H SER 105 H SER 105 17.830 -0.495 -9.981 830 HA SER 105 HA SER 105 17.646 -3.371 -9.632 831 HB2 SER 105 HB2 SER 105 15.617 -2.649 -10.984 832 HB3 SER 105 HB3 SER 105 16.735 -2.105 -12.232 833 HG SER 105 HG SER 105 17.171 -4.127 -12.761 834 H THR 106 H THR 106 18.392 -1.238 -12.379 835 HA THR 106 HA THR 106 21.190 -2.087 -12.236 836 HB THR 106 HB THR 106 21.270 -0.724 -14.455 837 HG1 THR 106 HG1 THR 106 19.308 0.252 -14.518 838 HG21 THR 106 HG21 THR 106 21.483 -3.158 -14.341 839 HG22 THR 106 HG22 THR 106 20.514 -2.677 -15.734 840 HG23 THR 106 HG23 THR 106 19.728 -3.317 -14.290 841 H THR 107 H THR 107 22.045 -0.864 -10.612 842 HA THR 107 HA THR 107 21.209 1.867 -10.258 843 HB THR 107 HB THR 107 23.043 1.689 -8.392 844 HG1 THR 107 HG1 THR 107 23.996 -0.211 -8.500 845 HG21 THR 107 HG21 THR 107 21.369 0.665 -6.893 846 HG22 THR 107 HG22 THR 107 20.426 0.177 -8.304 847 HG23 THR 107 HG23 THR 107 20.662 1.891 -7.948 848 H LYS 108 H LYS 108 22.095 3.504 -11.229 849 HA LYS 108 HA LYS 108 24.720 3.409 -12.386 850 HB2 LYS 108 HB2 LYS 108 22.644 4.535 -13.390 851 HB3 LYS 108 HB3 LYS 108 22.868 5.784 -12.176 852 HG2 LYS 108 HG2 LYS 108 23.940 6.679 -13.999 853 HG3 LYS 108 HG3 LYS 108 25.275 5.911 -13.131 854 HD2 LYS 108 HD2 LYS 108 25.493 5.319 -15.419 855 HD3 LYS 108 HD3 LYS 108 24.918 3.889 -14.572 856 HE2 LYS 108 HE2 LYS 108 22.640 4.367 -15.286 857 HE3 LYS 108 HE3 LYS 108 23.193 5.823 -16.107 858 HZ1 LYS 108 HZ1 LYS 108 22.899 4.032 -17.665 859 HZ2 LYS 108 HZ2 LYS 108 23.949 3.033 -16.791 860 HZ3 LYS 108 HZ3 LYS 108 24.548 4.421 -17.565 861 H ALA 109 H ALA 109 26.396 4.703 -11.736 862 HA ALA 109 HA ALA 109 26.272 5.611 -8.954 863 HB1 ALA 109 HB1 ALA 109 28.045 4.032 -9.458 864 HB2 ALA 109 HB2 ALA 109 28.727 5.603 -9.036 865 HB3 ALA 109 HB3 ALA 109 28.661 5.094 -10.723 866 H ARG 110 H ARG 110 27.503 6.686 -12.118 867 HA ARG 110 HA ARG 110 27.755 9.411 -11.133 868 HB2 ARG 110 HB2 ARG 110 29.375 8.204 -12.761 869 HB3 ARG 110 HB3 ARG 110 28.163 8.531 -13.987 870 HG2 ARG 110 HG2 ARG 110 29.532 10.639 -12.322 871 HG3 ARG 110 HG3 ARG 110 30.010 10.175 -13.951 872 HD2 ARG 110 HD2 ARG 110 27.766 10.853 -14.753 873 HD3 ARG 110 HD3 ARG 110 27.380 11.404 -13.124 874 HE ARG 110 HE ARG 110 29.326 12.624 -14.965 875 HH11 ARG 110 HH11 ARG 110 27.506 12.735 -11.971 876 HH12 ARG 110 HH12 ARG 110 27.886 14.401 -11.646 877 HH21 ARG 110 HH21 ARG 110 29.799 14.823 -14.560 878 HH22 ARG 110 HH22 ARG 110 29.180 15.592 -13.129 879 H HIS 111 H HIS 111 25.584 9.936 -10.721 880 HA HIS 111 HA HIS 111 24.369 11.137 -12.998 881 HB2 HIS 111 HB2 HIS 111 22.138 10.101 -12.794 882 HB3 HIS 111 HB3 HIS 111 23.367 8.978 -13.342 883 HD1 HIS 111 HD1 HIS 111 21.001 7.614 -12.427 884 HD2 HIS 111 HD2 HIS 111 23.896 8.842 -9.696 885 HE1 HIS 111 HE1 HIS 111 20.630 6.220 -10.364 886 HE2 HIS 111 HE2 HIS 111 22.270 7.107 -8.669 887 H TYR 112 H TYR 112 24.585 13.038 -12.015 888 HA TYR 112 HA TYR 112 22.931 13.461 -9.613 889 HB2 TYR 112 HB2 TYR 112 25.650 14.607 -10.243 890 HB3 TYR 112 HB3 TYR 112 24.575 15.330 -9.052 891 HD1 TYR 112 HD1 TYR 112 23.927 14.022 -7.030 892 HD2 TYR 112 HD2 TYR 112 26.933 12.671 -9.720 893 HE1 TYR 112 HE1 TYR 112 24.759 12.475 -5.312 894 HE2 TYR 112 HE2 TYR 112 27.775 11.121 -8.005 895 HH TYR 112 HH TYR 112 26.051 10.340 -5.211 896 HA PRO 113 HA PRO 113 20.769 16.206 -12.301 897 HB2 PRO 113 HB2 PRO 113 19.688 17.377 -9.821 898 HB3 PRO 113 HB3 PRO 113 18.840 16.581 -11.150 899 HG2 PRO 113 HG2 PRO 113 19.124 15.399 -8.765 900 HG3 PRO 113 HG3 PRO 113 19.173 14.469 -10.274 901 HD2 PRO 113 HD2 PRO 113 21.438 15.382 -8.535 902 HD3 PRO 113 HD3 PRO 113 21.208 13.825 -9.359 903 H LEU 114 H LEU 114 21.197 18.081 -9.320 904 HA LEU 114 HA LEU 114 23.267 19.744 -9.925 905 HB2 LEU 114 HB2 LEU 114 21.676 20.206 -11.976 906 HB3 LEU 114 HB3 LEU 114 20.783 21.176 -10.822 907 HG LEU 114 HG LEU 114 23.711 21.616 -11.429 908 HD11 LEU 114 HD11 LEU 114 22.442 21.938 -13.466 909 HD12 LEU 114 HD12 LEU 114 22.963 23.495 -12.820 910 HD13 LEU 114 HD13 LEU 114 21.292 22.970 -12.613 911 HD21 LEU 114 HD21 LEU 114 23.348 23.791 -10.419 912 HD22 LEU 114 HD22 LEU 114 22.906 22.516 -9.281 913 HD23 LEU 114 HD23 LEU 114 21.648 23.406 -10.143 914 H GLU 115 H GLU 115 23.062 19.247 -7.659 915 HA GLU 115 HA GLU 115 21.206 20.125 -5.861 916 HB2 GLU 115 HB2 GLU 115 24.214 20.298 -5.619 917 HB3 GLU 115 HB3 GLU 115 23.097 20.475 -4.272 918 HG2 GLU 115 HG2 GLU 115 23.420 18.022 -5.986 919 HG3 GLU 115 HG3 GLU 115 24.052 18.240 -4.354 920 H HIS 116 H HIS 116 20.182 21.985 -5.762 921 HA HIS 116 HA HIS 116 21.410 24.382 -6.856 922 HB2 HIS 116 HB2 HIS 116 18.878 23.383 -6.996 923 HB3 HIS 116 HB3 HIS 116 18.704 24.554 -5.694 924 HD1 HIS 116 HD1 HIS 116 18.912 24.263 -9.350 925 HD2 HIS 116 HD2 HIS 116 19.337 27.268 -6.499 926 HE1 HIS 116 HE1 HIS 116 18.774 26.430 -10.615 927 HE2 HIS 116 HE2 HIS 116 18.890 28.231 -8.859 928 H HIS 117 H HIS 117 22.785 25.302 -5.439 929 HA HIS 117 HA HIS 117 21.977 25.534 -2.636 930 HB2 HIS 117 HB2 HIS 117 24.329 26.276 -2.237 931 HB3 HIS 117 HB3 HIS 117 24.191 24.649 -2.884 932 HD1 HIS 117 HD1 HIS 117 25.387 28.102 -3.786 933 HD2 HIS 117 HD2 HIS 117 25.310 24.263 -5.397 934 HE1 HIS 117 HE1 HIS 117 26.956 28.153 -5.750 935 HE2 HIS 117 HE2 HIS 117 27.029 25.777 -6.594 936 H HIS 118 H HIS 118 22.358 27.552 -1.508 937 HA HIS 118 HA HIS 118 22.106 29.931 -3.218 938 HB2 HIS 118 HB2 HIS 118 20.388 29.306 -0.798 939 HB3 HIS 118 HB3 HIS 118 20.388 30.832 -1.674 940 HD1 HIS 118 HD1 HIS 118 19.085 27.366 -1.787 941 HD2 HIS 118 HD2 HIS 118 19.138 30.745 -4.208 942 HE1 HIS 118 HE1 HIS 118 17.365 26.945 -3.573 943 HE2 HIS 118 HE2 HIS 118 17.235 29.116 -4.849 944 H HIS 119 H HIS 119 22.534 31.964 -1.971 945 HA HIS 119 HA HIS 119 24.857 31.536 -0.307 946 HB2 HIS 119 HB2 HIS 119 24.754 33.371 -2.008 947 HB3 HIS 119 HB3 HIS 119 23.539 34.167 -1.009 948 HD1 HIS 119 HD1 HIS 119 24.655 36.103 0.069 949 HD2 HIS 119 HD2 HIS 119 27.084 32.723 0.042 950 HE1 HIS 119 HE1 HIS 119 26.725 36.741 1.349 951 HE2 HIS 119 HE2 HIS 119 28.096 34.627 1.465 952 H HIS 120 H HIS 120 23.727 30.425 1.355 953 HA HIS 120 HA HIS 120 23.029 32.239 3.510 954 HB2 HIS 120 HB2 HIS 120 21.165 30.117 2.457 955 HB3 HIS 120 HB3 HIS 120 21.138 30.565 4.157 956 HD1 HIS 120 HD1 HIS 120 19.212 31.176 1.367 957 HD2 HIS 120 HD2 HIS 120 21.038 33.719 4.112 958 HE1 HIS 120 HE1 HIS 120 17.963 33.356 1.217 959 HE2 HIS 120 HE2 HIS 120 18.999 34.833 2.975 960 H HIS 121 H HIS 121 22.946 30.993 5.611 961 HA HIS 121 HA HIS 121 24.863 28.766 5.470 962 HB2 HIS 121 HB2 HIS 121 25.516 29.356 7.803 963 HB3 HIS 121 HB3 HIS 121 25.876 30.622 6.641 964 HD1 HIS 121 HD1 HIS 121 23.742 29.853 9.615 965 HD2 HIS 121 HD2 HIS 121 24.423 32.999 6.979 966 HE1 HIS 121 HE1 HIS 121 22.676 31.868 10.671 967 HE2 HIS 121 HE2 HIS 121 23.132 33.771 9.081 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -24.284 -1.902 -1.314 2 H2 MET 1 H2 MET 1 -23.390 -2.594 -2.574 3 H3 MET 1 H3 MET 1 -23.386 -0.912 -2.360 4 HA MET 1 HA MET 1 -22.192 -2.958 -0.586 5 HB2 MET 1 HB2 MET 1 -20.994 -0.632 -2.105 6 HB3 MET 1 HB3 MET 1 -20.109 -1.704 -1.030 7 HG2 MET 1 HG2 MET 1 -20.690 -3.595 -2.523 8 HG3 MET 1 HG3 MET 1 -21.430 -2.438 -3.627 9 HE1 MET 1 HE1 MET 1 -18.310 -0.232 -4.613 10 HE2 MET 1 HE2 MET 1 -19.375 0.047 -3.236 11 HE3 MET 1 HE3 MET 1 -20.053 -0.441 -4.790 12 H GLU 2 H GLU 2 -21.082 -2.083 1.274 13 HA GLU 2 HA GLU 2 -22.711 -0.228 2.707 14 HB2 GLU 2 HB2 GLU 2 -21.589 -2.132 3.780 15 HB3 GLU 2 HB3 GLU 2 -20.024 -1.430 3.396 16 HG2 GLU 2 HG2 GLU 2 -20.402 0.396 4.887 17 HG3 GLU 2 HG3 GLU 2 -22.073 -0.106 5.153 18 H ASN 3 H ASN 3 -19.344 -0.115 1.564 19 HA ASN 3 HA ASN 3 -18.933 2.592 2.300 20 HB2 ASN 3 HB2 ASN 3 -17.034 1.107 1.994 21 HB3 ASN 3 HB3 ASN 3 -17.466 0.849 0.307 22 HD21 ASN 3 HD21 ASN 3 -16.139 3.091 2.612 23 HD22 ASN 3 HD22 ASN 3 -15.475 4.192 1.455 24 H SER 4 H SER 4 -19.859 4.289 1.435 25 HA SER 4 HA SER 4 -20.376 4.289 -1.467 26 HB2 SER 4 HB2 SER 4 -22.464 4.093 -0.080 27 HB3 SER 4 HB3 SER 4 -22.075 5.654 0.638 28 HG SER 4 HG SER 4 -22.944 5.033 -1.959 29 H GLY 5 H GLY 5 -18.601 5.578 0.987 30 HA2 GLY 5 HA2 GLY 5 -18.175 8.074 -0.506 31 HA3 GLY 5 HA3 GLY 5 -18.436 8.134 1.231 32 H ALA 6 H ALA 6 -16.146 8.990 -0.311 33 HA ALA 6 HA ALA 6 -13.900 9.080 -0.119 34 HB1 ALA 6 HB1 ALA 6 -14.210 7.090 2.119 35 HB2 ALA 6 HB2 ALA 6 -14.234 8.846 2.287 36 HB3 ALA 6 HB3 ALA 6 -12.765 8.030 1.752 37 H TYR 7 H TYR 7 -13.531 8.251 -2.133 38 HA TYR 7 HA TYR 7 -13.010 5.378 -2.284 39 HB2 TYR 7 HB2 TYR 7 -13.040 5.616 -4.719 40 HB3 TYR 7 HB3 TYR 7 -14.520 6.235 -4.006 41 HD1 TYR 7 HD1 TYR 7 -14.522 8.868 -3.581 42 HD2 TYR 7 HD2 TYR 7 -11.977 6.847 -6.333 43 HE1 TYR 7 HE1 TYR 7 -14.212 10.962 -4.832 44 HE2 TYR 7 HE2 TYR 7 -11.655 8.936 -7.583 45 HH TYR 7 HH TYR 7 -12.546 11.965 -6.370 46 H THR 8 H THR 8 -11.126 5.719 -0.967 47 HA THR 8 HA THR 8 -8.875 7.043 -2.253 48 HB THR 8 HB THR 8 -7.650 6.481 -0.172 49 HG1 THR 8 HG1 THR 8 -9.546 5.782 1.470 50 HG21 THR 8 HG21 THR 8 -10.331 7.791 0.306 51 HG22 THR 8 HG22 THR 8 -8.885 8.595 -0.305 52 HG23 THR 8 HG23 THR 8 -8.910 7.950 1.336 53 H PHE 9 H PHE 9 -6.786 5.835 -2.356 54 HA PHE 9 HA PHE 9 -7.087 3.346 -3.672 55 HB2 PHE 9 HB2 PHE 9 -4.693 3.289 -3.819 56 HB3 PHE 9 HB3 PHE 9 -5.208 4.953 -4.070 57 HD1 PHE 9 HD2 PHE 9 -5.174 6.479 -1.951 58 HD2 PHE 9 HD1 PHE 9 -3.022 2.831 -2.328 59 HE1 PHE 9 HE2 PHE 9 -3.641 7.200 -0.167 60 HE2 PHE 9 HE1 PHE 9 -1.490 3.547 -0.551 61 HZ PHE 9 HZ PHE 9 -1.798 5.729 0.531 62 H GLU 10 H GLU 10 -6.650 4.289 -0.392 63 HA GLU 10 HA GLU 10 -5.712 2.015 0.863 64 HB2 GLU 10 HB2 GLU 10 -6.140 4.082 2.057 65 HB3 GLU 10 HB3 GLU 10 -7.862 3.954 1.732 66 HG2 GLU 10 HG2 GLU 10 -7.651 1.698 3.016 67 HG3 GLU 10 HG3 GLU 10 -6.179 2.430 3.658 68 H THR 11 H THR 11 -9.030 2.793 -0.136 69 HA THR 11 HA THR 11 -10.291 0.507 0.866 70 HB THR 11 HB THR 11 -11.044 2.033 -1.636 71 HG1 THR 11 HG1 THR 11 -12.472 3.024 0.193 72 HG21 THR 11 HG21 THR 11 -12.727 0.462 0.324 73 HG22 THR 11 HG22 THR 11 -12.296 -0.054 -1.306 74 HG23 THR 11 HG23 THR 11 -13.329 1.356 -1.072 75 H ILE 12 H ILE 12 -8.715 1.130 -2.229 76 HA ILE 12 HA ILE 12 -9.334 -1.366 -3.430 77 HB ILE 12 HB ILE 12 -7.058 0.534 -4.034 78 HG12 ILE 12 HG12 ILE 12 -9.224 1.636 -4.237 79 HG13 ILE 12 HG13 ILE 12 -8.531 1.372 -5.833 80 HG21 ILE 12 HG21 ILE 12 -7.017 -0.525 -6.245 81 HG22 ILE 12 HG22 ILE 12 -8.241 -1.678 -5.710 82 HG23 ILE 12 HG23 ILE 12 -6.646 -1.673 -4.958 83 HD11 ILE 12 HD11 ILE 12 -10.918 0.910 -5.797 84 HD12 ILE 12 HD12 ILE 12 -10.670 -0.308 -4.546 85 HD13 ILE 12 HD13 ILE 12 -9.993 -0.548 -6.158 86 H ALA 13 H ALA 13 -6.652 -0.164 -1.499 87 HA ALA 13 HA ALA 13 -4.897 -2.328 -1.840 88 HB1 ALA 13 HB1 ALA 13 -4.186 -0.174 -0.927 89 HB2 ALA 13 HB2 ALA 13 -3.756 -1.500 0.153 90 HB3 ALA 13 HB3 ALA 13 -5.139 -0.472 0.527 91 H ARG 14 H ARG 14 -7.455 -1.746 0.536 92 HA ARG 14 HA ARG 14 -6.826 -3.944 2.193 93 HB2 ARG 14 HB2 ARG 14 -8.305 -1.953 2.774 94 HB3 ARG 14 HB3 ARG 14 -9.583 -2.757 1.878 95 HG2 ARG 14 HG2 ARG 14 -8.314 -4.504 3.823 96 HG3 ARG 14 HG3 ARG 14 -9.031 -3.071 4.556 97 HD2 ARG 14 HD2 ARG 14 -10.605 -4.621 2.554 98 HD3 ARG 14 HD3 ARG 14 -10.440 -5.256 4.188 99 HE ARG 14 HE ARG 14 -11.323 -2.490 3.971 100 HH11 ARG 14 HH11 ARG 14 -12.228 -5.861 4.387 101 HH12 ARG 14 HH12 ARG 14 -13.780 -5.477 5.085 102 HH21 ARG 14 HH21 ARG 14 -13.366 -1.998 4.874 103 HH22 ARG 14 HH22 ARG 14 -14.430 -3.287 5.350 104 H GLU 15 H GLU 15 -8.612 -3.666 -0.762 105 HA GLU 15 HA GLU 15 -10.273 -5.900 -0.627 106 HB2 GLU 15 HB2 GLU 15 -9.932 -3.980 -2.435 107 HB3 GLU 15 HB3 GLU 15 -8.936 -5.200 -3.207 108 HG2 GLU 15 HG2 GLU 15 -11.802 -5.629 -2.427 109 HG3 GLU 15 HG3 GLU 15 -11.291 -5.077 -4.016 110 H TRP 16 H TRP 16 -7.077 -5.713 -2.237 111 HA TRP 16 HA TRP 16 -6.972 -8.585 -2.374 112 HB2 TRP 16 HB2 TRP 16 -4.656 -8.172 -3.359 113 HB3 TRP 16 HB3 TRP 16 -6.026 -7.542 -4.259 114 HD1 TRP 16 HD1 TRP 16 -6.046 -4.974 -4.777 115 HE1 TRP 16 HE1 TRP 16 -4.457 -3.030 -4.232 116 HE3 TRP 16 HE3 TRP 16 -2.949 -7.338 -1.455 117 HZ2 TRP 16 HZ2 TRP 16 -2.190 -2.554 -2.623 118 HZ3 TRP 16 HZ3 TRP 16 -1.094 -6.062 -0.468 119 HH2 TRP 16 HH2 TRP 16 -0.725 -3.724 -1.040 120 H HIS 17 H HIS 17 -5.674 -6.128 -0.259 121 HA HIS 17 HA HIS 17 -3.614 -7.683 0.899 122 HB2 HIS 17 HB2 HIS 17 -3.681 -5.251 1.116 123 HB3 HIS 17 HB3 HIS 17 -5.147 -5.360 2.077 124 HD1 HIS 17 HD1 HIS 17 -4.785 -5.307 4.525 125 HD2 HIS 17 HD2 HIS 17 -1.410 -6.633 2.495 126 HE1 HIS 17 HE1 HIS 17 -3.017 -5.602 6.283 127 HE2 HIS 17 HE2 HIS 17 -1.023 -6.547 5.058 128 H GLU 18 H GLU 18 -7.056 -7.642 1.476 129 HA GLU 18 HA GLU 18 -6.910 -8.575 4.172 130 HB2 GLU 18 HB2 GLU 18 -8.849 -7.330 3.026 131 HB3 GLU 18 HB3 GLU 18 -9.312 -8.908 2.399 132 HG2 GLU 18 HG2 GLU 18 -9.339 -9.730 4.766 133 HG3 GLU 18 HG3 GLU 18 -9.127 -8.056 5.273 134 H SER 19 H SER 19 -6.317 -10.141 1.277 135 HA SER 19 HA SER 19 -7.432 -12.694 1.833 136 HB2 SER 19 HB2 SER 19 -6.704 -11.966 -0.439 137 HB3 SER 19 HB3 SER 19 -5.029 -12.038 0.106 138 HG SER 19 HG SER 19 -5.702 -14.325 0.721 139 H ASN 20 H ASN 20 -4.583 -11.030 2.858 140 HA ASN 20 HA ASN 20 -3.019 -11.468 4.440 141 HB2 ASN 20 HB2 ASN 20 -4.863 -13.775 5.033 142 HB3 ASN 20 HB3 ASN 20 -3.334 -13.579 5.878 143 HD21 ASN 20 HD21 ASN 20 -5.547 -11.037 4.843 144 HD22 ASN 20 HD22 ASN 20 -5.923 -10.483 6.434 145 H LYS 21 H LYS 21 -1.541 -13.449 5.227 146 HA LYS 21 HA LYS 21 -0.603 -14.786 2.782 147 HB2 LYS 21 HB2 LYS 21 0.937 -13.200 4.095 148 HB3 LYS 21 HB3 LYS 21 0.951 -14.424 5.352 149 HG2 LYS 21 HG2 LYS 21 1.777 -15.019 2.527 150 HG3 LYS 21 HG3 LYS 21 2.900 -14.400 3.735 151 HD2 LYS 21 HD2 LYS 21 2.475 -16.342 5.147 152 HD3 LYS 21 HD3 LYS 21 1.293 -16.945 3.983 153 HE2 LYS 21 HE2 LYS 21 3.058 -17.117 2.294 154 HE3 LYS 21 HE3 LYS 21 4.236 -16.534 3.470 155 HZ1 LYS 21 HZ1 LYS 21 4.204 -18.973 3.207 156 HZ2 LYS 21 HZ2 LYS 21 2.621 -19.007 3.811 157 HZ3 LYS 21 HZ3 LYS 21 3.898 -18.474 4.798 158 H ARG 22 H ARG 22 -1.138 -15.230 6.259 159 HA ARG 22 HA ARG 22 -1.390 -18.126 5.867 160 HB2 ARG 22 HB2 ARG 22 -0.161 -16.865 7.860 161 HB3 ARG 22 HB3 ARG 22 -1.790 -16.750 8.505 162 HG2 ARG 22 HG2 ARG 22 -0.384 -19.318 7.786 163 HG3 ARG 22 HG3 ARG 22 -0.536 -18.652 9.410 164 HD2 ARG 22 HD2 ARG 22 -3.128 -18.677 8.634 165 HD3 ARG 22 HD3 ARG 22 -2.509 -20.074 7.751 166 HE ARG 22 HE ARG 22 -1.684 -20.071 10.488 167 HH11 ARG 22 HH11 ARG 22 -4.262 -20.998 8.303 168 HH12 ARG 22 HH12 ARG 22 -5.016 -22.060 9.453 169 HH21 ARG 22 HH21 ARG 22 -2.652 -21.446 11.983 170 HH22 ARG 22 HH22 ARG 22 -4.104 -22.313 11.563 171 H TRP 23 H TRP 23 -3.287 -18.233 4.747 172 HA TRP 23 HA TRP 23 -5.425 -16.507 4.875 173 HB2 TRP 23 HB2 TRP 23 -5.554 -19.428 4.122 174 HB3 TRP 23 HB3 TRP 23 -6.681 -18.168 3.631 175 HD1 TRP 23 HD1 TRP 23 -5.751 -16.339 1.845 176 HE1 TRP 23 HE1 TRP 23 -3.905 -16.531 0.062 177 HE3 TRP 23 HE3 TRP 23 -3.359 -20.490 3.607 178 HZ2 TRP 23 HZ2 TRP 23 -1.721 -18.224 -0.520 179 HZ3 TRP 23 HZ3 TRP 23 -1.400 -21.336 2.380 180 HH2 TRP 23 HH2 TRP 23 -0.601 -20.224 0.360 181 H SER 24 H SER 24 -6.207 -16.021 6.853 182 HA SER 24 HA SER 24 -8.152 -17.856 7.931 183 HB2 SER 24 HB2 SER 24 -6.013 -16.762 9.782 184 HB3 SER 24 HB3 SER 24 -7.339 -17.840 10.211 185 HG SER 24 HG SER 24 -6.033 -19.008 8.249 186 H GLU 25 H GLU 25 -9.847 -16.776 8.822 187 HA GLU 25 HA GLU 25 -10.053 -14.021 8.155 188 HB2 GLU 25 HB2 GLU 25 -12.300 -14.292 9.485 189 HB3 GLU 25 HB3 GLU 25 -12.090 -15.030 7.907 190 HG2 GLU 25 HG2 GLU 25 -11.609 -16.524 10.468 191 HG3 GLU 25 HG3 GLU 25 -13.189 -16.434 9.691 192 H ASP 26 H ASP 26 -9.257 -15.688 11.092 193 HA ASP 26 HA ASP 26 -9.800 -13.509 12.849 194 HB2 ASP 26 HB2 ASP 26 -8.655 -14.758 14.532 195 HB3 ASP 26 HB3 ASP 26 -9.522 -15.930 13.544 196 H HIS 27 H HIS 27 -7.112 -14.439 10.842 197 HA HIS 27 HA HIS 27 -5.185 -12.714 12.039 198 HB2 HIS 27 HB2 HIS 27 -5.263 -14.024 9.316 199 HB3 HIS 27 HB3 HIS 27 -3.894 -13.096 9.914 200 HD1 HIS 27 HD1 HIS 27 -4.002 -16.236 9.182 201 HD2 HIS 27 HD2 HIS 27 -3.966 -14.526 12.972 202 HE1 HIS 27 HE1 HIS 27 -3.109 -18.013 10.719 203 HE2 HIS 27 HE2 HIS 27 -3.314 -17.029 13.027 204 H ARG 28 H ARG 28 -7.663 -12.317 9.646 205 HA ARG 28 HA ARG 28 -6.736 -10.093 8.249 206 HB2 ARG 28 HB2 ARG 28 -9.606 -10.664 9.003 207 HB3 ARG 28 HB3 ARG 28 -9.065 -9.617 7.702 208 HG2 ARG 28 HG2 ARG 28 -8.050 -11.611 6.610 209 HG3 ARG 28 HG3 ARG 28 -8.782 -12.610 7.868 210 HD2 ARG 28 HD2 ARG 28 -10.993 -11.518 7.204 211 HD3 ARG 28 HD3 ARG 28 -10.146 -10.949 5.767 212 HE ARG 28 HE ARG 28 -9.890 -13.774 6.187 213 HH11 ARG 28 HH11 ARG 28 -11.847 -11.244 4.754 214 HH12 ARG 28 HH12 ARG 28 -12.739 -12.341 3.739 215 HH21 ARG 28 HH21 ARG 28 -11.062 -15.217 4.853 216 HH22 ARG 28 HH22 ARG 28 -12.281 -14.588 3.775 217 H SER 29 H SER 29 -8.627 -10.251 11.245 218 HA SER 29 HA SER 29 -8.956 -7.488 11.603 219 HB2 SER 29 HB2 SER 29 -8.764 -9.579 13.784 220 HB3 SER 29 HB3 SER 29 -9.607 -8.032 13.862 221 HG SER 29 HG SER 29 -10.868 -10.044 13.387 222 H ARG 30 H ARG 30 -6.321 -9.650 12.383 223 HA ARG 30 HA ARG 30 -5.011 -7.827 14.173 224 HB2 ARG 30 HB2 ARG 30 -4.852 -10.391 14.163 225 HB3 ARG 30 HB3 ARG 30 -3.740 -10.197 12.814 226 HG2 ARG 30 HG2 ARG 30 -2.512 -10.459 14.871 227 HG3 ARG 30 HG3 ARG 30 -2.282 -8.825 14.241 228 HD2 ARG 30 HD2 ARG 30 -3.883 -7.940 15.805 229 HD3 ARG 30 HD3 ARG 30 -4.295 -9.562 16.360 230 HE ARG 30 HE ARG 30 -1.537 -9.146 16.731 231 HH11 ARG 30 HH11 ARG 30 -4.610 -8.027 17.990 232 HH12 ARG 30 HH12 ARG 30 -3.977 -7.671 19.565 233 HH21 ARG 30 HH21 ARG 30 -0.709 -8.685 18.801 234 HH22 ARG 30 HH22 ARG 30 -1.767 -8.065 20.039 235 H VAL 31 H VAL 31 -4.433 -8.974 10.861 236 HA VAL 31 HA VAL 31 -2.153 -7.317 10.454 237 HB VAL 31 HB VAL 31 -2.268 -7.948 8.110 238 HG11 VAL 31 HG11 VAL 31 -1.285 -9.532 9.662 239 HG12 VAL 31 HG12 VAL 31 -2.117 -10.382 8.359 240 HG13 VAL 31 HG13 VAL 31 -2.868 -10.258 9.951 241 HG21 VAL 31 HG21 VAL 31 -4.659 -7.803 7.739 242 HG22 VAL 31 HG22 VAL 31 -4.931 -9.187 8.800 243 HG23 VAL 31 HG23 VAL 31 -4.073 -9.400 7.274 244 H LEU 32 H LEU 32 -5.508 -6.710 10.349 245 HA LEU 32 HA LEU 32 -5.555 -4.561 8.508 246 HB2 LEU 32 HB2 LEU 32 -7.502 -5.890 9.631 247 HB3 LEU 32 HB3 LEU 32 -7.344 -4.718 10.921 248 HG LEU 32 HG LEU 32 -9.154 -4.213 9.277 249 HD11 LEU 32 HD11 LEU 32 -8.225 -2.428 10.632 250 HD12 LEU 32 HD12 LEU 32 -8.625 -1.840 9.018 251 HD13 LEU 32 HD13 LEU 32 -6.946 -2.170 9.446 252 HD21 LEU 32 HD21 LEU 32 -6.842 -3.747 7.401 253 HD22 LEU 32 HD22 LEU 32 -8.523 -3.316 7.088 254 HD23 LEU 32 HD23 LEU 32 -8.067 -5.010 7.262 255 H ARG 33 H ARG 33 -5.157 -4.699 12.033 256 HA ARG 33 HA ARG 33 -4.779 -1.894 12.323 257 HB2 ARG 33 HB2 ARG 33 -5.218 -3.998 14.055 258 HB3 ARG 33 HB3 ARG 33 -3.545 -3.570 14.385 259 HG2 ARG 33 HG2 ARG 33 -5.832 -1.612 14.415 260 HG3 ARG 33 HG3 ARG 33 -5.181 -2.418 15.844 261 HD2 ARG 33 HD2 ARG 33 -3.123 -1.309 15.667 262 HD3 ARG 33 HD3 ARG 33 -3.433 -0.818 14.003 263 HE ARG 33 HE ARG 33 -5.371 0.493 15.247 264 HH11 ARG 33 HH11 ARG 33 -2.036 0.086 16.219 265 HH12 ARG 33 HH12 ARG 33 -1.903 1.668 16.928 266 HH21 ARG 33 HH21 ARG 33 -5.214 2.576 16.167 267 HH22 ARG 33 HH22 ARG 33 -3.720 3.096 16.881 268 H TYR 34 H TYR 34 -2.698 -4.617 11.683 269 HA TYR 34 HA TYR 34 -0.201 -3.364 12.101 270 HB2 TYR 34 HB2 TYR 34 -0.570 -5.827 11.790 271 HB3 TYR 34 HB3 TYR 34 -0.857 -5.522 10.081 272 HD1 TYR 34 HD1 TYR 34 1.683 -5.347 12.762 273 HD2 TYR 34 HD2 TYR 34 0.948 -5.259 8.571 274 HE1 TYR 34 HE1 TYR 34 4.096 -5.544 12.342 275 HE2 TYR 34 HE2 TYR 34 3.360 -5.461 8.137 276 HH TYR 34 HH TYR 34 5.580 -6.366 10.501 277 H LEU 35 H LEU 35 -2.395 -3.523 9.370 278 HA LEU 35 HA LEU 35 -0.852 -2.278 7.402 279 HB2 LEU 35 HB2 LEU 35 -2.960 -3.380 6.918 280 HB3 LEU 35 HB3 LEU 35 -3.830 -2.221 7.902 281 HG LEU 35 HG LEU 35 -3.122 -0.440 6.267 282 HD11 LEU 35 HD11 LEU 35 -2.424 -1.173 4.046 283 HD12 LEU 35 HD12 LEU 35 -2.302 -2.832 4.633 284 HD13 LEU 35 HD13 LEU 35 -1.228 -1.587 5.274 285 HD21 LEU 35 HD21 LEU 35 -4.792 -2.709 5.194 286 HD22 LEU 35 HD22 LEU 35 -4.817 -1.042 4.621 287 HD23 LEU 35 HD23 LEU 35 -5.359 -1.421 6.256 288 H GLU 36 H GLU 36 -3.017 -0.918 9.836 289 HA GLU 36 HA GLU 36 -2.987 1.739 9.032 290 HB2 GLU 36 HB2 GLU 36 -3.251 0.577 11.807 291 HB3 GLU 36 HB3 GLU 36 -3.625 2.243 11.384 292 HG2 GLU 36 HG2 GLU 36 -5.414 1.530 9.948 293 HG3 GLU 36 HG3 GLU 36 -4.979 -0.162 10.180 294 H LEU 37 H LEU 37 -0.609 -0.043 10.901 295 HA LEU 37 HA LEU 37 0.691 2.434 11.737 296 HB2 LEU 37 HB2 LEU 37 1.232 -0.434 12.484 297 HB3 LEU 37 HB3 LEU 37 2.090 0.949 13.137 298 HG LEU 37 HG LEU 37 -0.854 0.378 13.493 299 HD11 LEU 37 HD11 LEU 37 -0.264 -0.055 15.817 300 HD12 LEU 37 HD12 LEU 37 1.440 0.200 15.441 301 HD13 LEU 37 HD13 LEU 37 0.575 -1.164 14.732 302 HD21 LEU 37 HD21 LEU 37 -0.818 2.251 15.058 303 HD22 LEU 37 HD22 LEU 37 -0.365 2.776 13.436 304 HD23 LEU 37 HD23 LEU 37 0.876 2.554 14.670 305 H TYR 38 H TYR 38 1.348 -0.423 9.769 306 HA TYR 38 HA TYR 38 4.141 0.399 9.497 307 HB2 TYR 38 HB2 TYR 38 3.383 -1.972 10.119 308 HB3 TYR 38 HB3 TYR 38 2.893 -2.132 8.438 309 HD1 TYR 38 HD1 TYR 38 5.853 -1.309 10.546 310 HD2 TYR 38 HD2 TYR 38 4.436 -2.891 6.860 311 HE1 TYR 38 HE1 TYR 38 8.135 -2.025 9.984 312 HE2 TYR 38 HE2 TYR 38 6.720 -3.603 6.287 313 HH TYR 38 HH TYR 38 9.227 -3.700 8.559 314 H ILE 39 H ILE 39 1.259 0.809 7.811 315 HA ILE 39 HA ILE 39 2.679 1.078 5.280 316 HB ILE 39 HB ILE 39 0.026 -0.350 5.534 317 HG12 ILE 39 HG12 ILE 39 2.786 -1.435 4.907 318 HG13 ILE 39 HG13 ILE 39 1.882 -1.719 6.389 319 HG21 ILE 39 HG21 ILE 39 0.303 -0.825 3.155 320 HG22 ILE 39 HG22 ILE 39 1.805 0.100 3.136 321 HG23 ILE 39 HG23 ILE 39 0.273 0.914 3.453 322 HD11 ILE 39 HD11 ILE 39 1.781 -3.638 4.918 323 HD12 ILE 39 HD12 ILE 39 1.092 -2.639 3.638 324 HD13 ILE 39 HD13 ILE 39 0.182 -2.921 5.122 325 H PHE 40 H PHE 40 2.387 2.960 4.526 326 HA PHE 40 HA PHE 40 1.462 4.856 3.676 327 HB2 PHE 40 HB2 PHE 40 -1.199 3.774 4.620 328 HB3 PHE 40 HB3 PHE 40 -0.963 5.142 3.542 329 HD1 PHE 40 HD2 PHE 40 1.062 4.120 1.681 330 HD2 PHE 40 HD1 PHE 40 -2.322 2.197 3.401 331 HE1 PHE 40 HE2 PHE 40 0.953 2.593 -0.245 332 HE2 PHE 40 HE1 PHE 40 -2.438 0.667 1.479 333 HZ PHE 40 HZ PHE 40 -0.802 0.864 -0.346 334 HA PRO 41 HA PRO 41 1.118 6.211 8.210 335 HB2 PRO 41 HB2 PRO 41 3.777 7.393 7.841 336 HB3 PRO 41 HB3 PRO 41 3.200 6.305 9.105 337 HG2 PRO 41 HG2 PRO 41 4.942 5.497 7.219 338 HG3 PRO 41 HG3 PRO 41 3.716 4.410 7.899 339 HD2 PRO 41 HD2 PRO 41 3.701 5.887 5.290 340 HD3 PRO 41 HD3 PRO 41 3.212 4.215 5.640 341 H HIS 42 H HIS 42 2.917 8.050 5.726 342 HA HIS 42 HA HIS 42 1.407 10.448 6.487 343 HB2 HIS 42 HB2 HIS 42 4.102 9.971 5.378 344 HB3 HIS 42 HB3 HIS 42 3.255 11.369 4.725 345 HD1 HIS 42 HD1 HIS 42 5.833 11.351 6.625 346 HD2 HIS 42 HD2 HIS 42 1.914 12.208 7.718 347 HE1 HIS 42 HE1 HIS 42 5.997 12.845 8.641 348 HE2 HIS 42 HE2 HIS 42 3.621 13.483 9.180 349 H ILE 43 H ILE 43 1.039 8.039 4.302 350 HA ILE 43 HA ILE 43 0.157 9.880 2.179 351 HB ILE 43 HB ILE 43 0.910 8.219 0.496 352 HG12 ILE 43 HG12 ILE 43 2.311 6.933 2.852 353 HG13 ILE 43 HG13 ILE 43 0.939 6.245 1.991 354 HG21 ILE 43 HG21 ILE 43 2.262 10.176 1.007 355 HG22 ILE 43 HG22 ILE 43 3.280 8.789 0.621 356 HG23 ILE 43 HG23 ILE 43 3.073 9.291 2.300 357 HD11 ILE 43 HD11 ILE 43 3.647 6.802 0.800 358 HD12 ILE 43 HD12 ILE 43 2.276 6.063 -0.028 359 HD13 ILE 43 HD13 ILE 43 3.049 5.227 1.319 360 H GLY 44 H GLY 44 -1.154 8.019 4.359 361 HA2 GLY 44 HA2 GLY 44 -2.702 6.288 2.565 362 HA3 GLY 44 HA3 GLY 44 -2.637 6.162 4.313 363 H SER 45 H SER 45 -3.069 9.363 3.288 364 HA SER 45 HA SER 45 -5.906 9.162 4.032 365 HB2 SER 45 HB2 SER 45 -5.655 11.592 4.634 366 HB3 SER 45 HB3 SER 45 -4.659 10.493 5.588 367 HG SER 45 HG SER 45 -3.870 12.201 3.463 368 H SER 46 H SER 46 -4.270 9.249 1.272 369 HA SER 46 HA SER 46 -5.684 11.517 0.080 370 HB2 SER 46 HB2 SER 46 -3.415 9.859 -1.040 371 HB3 SER 46 HB3 SER 46 -4.085 11.327 -1.757 372 HG SER 46 HG SER 46 -3.518 12.016 0.673 373 H ASP 47 H ASP 47 -6.926 11.357 -1.758 374 HA ASP 47 HA ASP 47 -8.425 8.984 -2.157 375 HB2 ASP 47 HB2 ASP 47 -8.208 11.500 -3.826 376 HB3 ASP 47 HB3 ASP 47 -9.353 10.203 -4.147 377 H ILE 48 H ILE 48 -8.661 7.940 -4.350 378 HA ILE 48 HA ILE 48 -6.074 6.924 -5.034 379 HB ILE 48 HB ILE 48 -8.056 5.462 -4.886 380 HG12 ILE 48 HG12 ILE 48 -6.823 5.482 -7.649 381 HG13 ILE 48 HG13 ILE 48 -6.044 4.832 -6.211 382 HG21 ILE 48 HG21 ILE 48 -9.735 6.920 -5.831 383 HG22 ILE 48 HG22 ILE 48 -9.665 5.415 -6.750 384 HG23 ILE 48 HG23 ILE 48 -8.927 6.880 -7.398 385 HD11 ILE 48 HD11 ILE 48 -7.819 3.175 -5.998 386 HD12 ILE 48 HD12 ILE 48 -7.020 3.072 -7.567 387 HD13 ILE 48 HD13 ILE 48 -8.605 3.833 -7.432 388 H ARG 49 H ARG 49 -8.243 9.256 -6.485 389 HA ARG 49 HA ARG 49 -7.121 9.086 -9.107 390 HB2 ARG 49 HB2 ARG 49 -8.825 11.203 -7.806 391 HB3 ARG 49 HB3 ARG 49 -8.277 11.301 -9.472 392 HG2 ARG 49 HG2 ARG 49 -9.403 9.030 -9.786 393 HG3 ARG 49 HG3 ARG 49 -10.189 9.353 -8.238 394 HD2 ARG 49 HD2 ARG 49 -11.019 11.500 -9.169 395 HD3 ARG 49 HD3 ARG 49 -10.331 11.051 -10.728 396 HE ARG 49 HE ARG 49 -12.489 9.541 -9.390 397 HH11 ARG 49 HH11 ARG 49 -10.933 10.724 -12.306 398 HH12 ARG 49 HH12 ARG 49 -12.206 10.177 -13.347 399 HH21 ARG 49 HH21 ARG 49 -14.144 8.824 -10.756 400 HH22 ARG 49 HH22 ARG 49 -14.048 9.115 -12.474 401 H GLN 50 H GLN 50 -6.169 10.668 -6.205 402 HA GLN 50 HA GLN 50 -4.128 12.125 -7.737 403 HB2 GLN 50 HB2 GLN 50 -5.571 13.653 -6.470 404 HB3 GLN 50 HB3 GLN 50 -5.200 12.787 -4.987 405 HG2 GLN 50 HG2 GLN 50 -3.940 14.874 -5.187 406 HG3 GLN 50 HG3 GLN 50 -2.887 13.467 -5.115 407 HE21 GLN 50 HE21 GLN 50 -1.689 12.895 -6.920 408 HE22 GLN 50 HE22 GLN 50 -1.482 13.953 -8.273 409 H LEU 51 H LEU 51 -3.143 10.021 -7.790 410 HA LEU 51 HA LEU 51 -1.964 9.056 -5.313 411 HB2 LEU 51 HB2 LEU 51 -2.917 7.768 -7.509 412 HB3 LEU 51 HB3 LEU 51 -1.208 7.832 -7.898 413 HG LEU 51 HG LEU 51 -1.852 5.717 -6.802 414 HD11 LEU 51 HD11 LEU 51 -0.044 7.430 -5.108 415 HD12 LEU 51 HD12 LEU 51 0.432 6.530 -6.548 416 HD13 LEU 51 HD13 LEU 51 -0.107 5.667 -5.107 417 HD21 LEU 51 HD21 LEU 51 -2.493 5.695 -4.454 418 HD22 LEU 51 HD22 LEU 51 -3.669 6.590 -5.417 419 HD23 LEU 51 HD23 LEU 51 -2.497 7.458 -4.427 420 H LYS 52 H LYS 52 0.186 9.232 -4.822 421 HA LYS 52 HA LYS 52 1.650 11.252 -6.296 422 HB2 LYS 52 HB2 LYS 52 2.448 9.754 -3.794 423 HB3 LYS 52 HB3 LYS 52 3.226 11.192 -4.439 424 HG2 LYS 52 HG2 LYS 52 0.413 11.030 -3.380 425 HG3 LYS 52 HG3 LYS 52 1.802 11.717 -2.538 426 HD2 LYS 52 HD2 LYS 52 2.019 13.424 -4.272 427 HD3 LYS 52 HD3 LYS 52 0.656 12.720 -5.147 428 HE2 LYS 52 HE2 LYS 52 -0.134 14.617 -3.910 429 HE3 LYS 52 HE3 LYS 52 -0.774 13.154 -3.165 430 HZ1 LYS 52 HZ1 LYS 52 1.288 15.001 -2.162 431 HZ2 LYS 52 HZ2 LYS 52 1.306 13.382 -1.658 432 HZ3 LYS 52 HZ3 LYS 52 -0.055 14.344 -1.356 433 H THR 53 H THR 53 3.987 10.917 -6.719 434 HA THR 53 HA THR 53 4.390 8.339 -8.024 435 HB THR 53 HB THR 53 6.433 10.524 -8.128 436 HG1 THR 53 HG1 THR 53 3.806 10.850 -8.766 437 HG21 THR 53 HG21 THR 53 6.773 8.382 -9.326 438 HG22 THR 53 HG22 THR 53 6.663 9.749 -10.433 439 HG23 THR 53 HG23 THR 53 5.284 8.669 -10.230 440 H SER 54 H SER 54 7.256 8.322 -7.888 441 HA SER 54 HA SER 54 7.632 6.735 -5.629 442 HB2 SER 54 HB2 SER 54 9.767 8.118 -7.262 443 HB3 SER 54 HB3 SER 54 9.962 6.664 -6.281 444 HG SER 54 HG SER 54 9.437 5.639 -8.032 445 H HIS 55 H HIS 55 7.332 10.029 -5.589 446 HA HIS 55 HA HIS 55 9.238 10.913 -3.740 447 HB2 HIS 55 HB2 HIS 55 6.338 11.758 -3.979 448 HB3 HIS 55 HB3 HIS 55 7.578 12.637 -3.096 449 HD1 HIS 55 HD1 HIS 55 8.764 14.417 -4.376 450 HD2 HIS 55 HD2 HIS 55 6.896 11.652 -6.861 451 HE1 HIS 55 HE1 HIS 55 9.028 15.312 -6.715 452 HE2 HIS 55 HE2 HIS 55 7.816 13.666 -8.194 453 H LEU 56 H LEU 56 6.272 9.097 -3.337 454 HA LEU 56 HA LEU 56 6.258 9.278 -0.471 455 HB2 LEU 56 HB2 LEU 56 4.435 7.599 -0.610 456 HB3 LEU 56 HB3 LEU 56 4.148 9.058 -1.531 457 HG LEU 56 HG LEU 56 4.969 7.695 -3.567 458 HD11 LEU 56 HD11 LEU 56 4.607 5.295 -3.424 459 HD12 LEU 56 HD12 LEU 56 4.270 5.435 -1.700 460 HD13 LEU 56 HD13 LEU 56 5.882 5.800 -2.314 461 HD21 LEU 56 HD21 LEU 56 2.363 6.985 -2.235 462 HD22 LEU 56 HD22 LEU 56 2.735 6.836 -3.953 463 HD23 LEU 56 HD23 LEU 56 2.663 8.430 -3.199 464 H LEU 57 H LEU 57 7.979 7.442 -2.697 465 HA LEU 57 HA LEU 57 8.189 5.030 -1.147 466 HB2 LEU 57 HB2 LEU 57 8.364 4.961 -3.577 467 HB3 LEU 57 HB3 LEU 57 9.758 6.023 -3.530 468 HG LEU 57 HG LEU 57 11.035 4.265 -2.348 469 HD11 LEU 57 HD11 LEU 57 8.592 2.570 -2.850 470 HD12 LEU 57 HD12 LEU 57 9.171 3.115 -1.277 471 HD13 LEU 57 HD13 LEU 57 10.143 1.998 -2.233 472 HD21 LEU 57 HD21 LEU 57 11.262 2.755 -4.278 473 HD22 LEU 57 HD22 LEU 57 11.204 4.451 -4.758 474 HD23 LEU 57 HD23 LEU 57 9.783 3.430 -4.963 475 H ALA 58 H ALA 58 9.718 8.081 -1.139 476 HA ALA 58 HA ALA 58 12.312 7.502 -0.361 477 HB1 ALA 58 HB1 ALA 58 10.642 9.845 0.539 478 HB2 ALA 58 HB2 ALA 58 11.569 9.748 -0.959 479 HB3 ALA 58 HB3 ALA 58 12.402 9.735 0.594 480 HA PRO 59 HA PRO 59 10.884 7.469 4.328 481 HB2 PRO 59 HB2 PRO 59 8.032 6.741 3.980 482 HB3 PRO 59 HB3 PRO 59 8.786 7.827 5.147 483 HG2 PRO 59 HG2 PRO 59 7.373 8.797 3.112 484 HG3 PRO 59 HG3 PRO 59 8.863 9.601 3.647 485 HD2 PRO 59 HD2 PRO 59 8.416 7.799 1.296 486 HD3 PRO 59 HD3 PRO 59 9.377 9.289 1.408 487 H ILE 60 H ILE 60 9.261 5.428 1.953 488 HA ILE 60 HA ILE 60 9.282 3.060 3.552 489 HB ILE 60 HB ILE 60 9.034 3.301 0.544 490 HG12 ILE 60 HG12 ILE 60 7.324 4.641 1.665 491 HG13 ILE 60 HG13 ILE 60 6.596 3.216 0.932 492 HG21 ILE 60 HG21 ILE 60 8.225 1.077 2.414 493 HG22 ILE 60 HG22 ILE 60 9.559 1.039 1.261 494 HG23 ILE 60 HG23 ILE 60 7.896 1.132 0.683 495 HD11 ILE 60 HD11 ILE 60 5.650 3.651 3.119 496 HD12 ILE 60 HD12 ILE 60 7.253 3.571 3.848 497 HD13 ILE 60 HD13 ILE 60 6.541 2.128 3.125 498 H LYS 61 H LYS 61 11.513 4.678 1.522 499 HA LYS 61 HA LYS 61 13.178 2.512 0.782 500 HB2 LYS 61 HB2 LYS 61 13.033 5.092 0.041 501 HB3 LYS 61 HB3 LYS 61 14.373 5.208 1.171 502 HG2 LYS 61 HG2 LYS 61 14.319 3.238 -1.098 503 HG3 LYS 61 HG3 LYS 61 14.980 4.867 -1.248 504 HD2 LYS 61 HD2 LYS 61 16.677 4.422 0.338 505 HD3 LYS 61 HD3 LYS 61 15.904 2.920 0.852 506 HE2 LYS 61 HE2 LYS 61 17.076 3.441 -1.877 507 HE3 LYS 61 HE3 LYS 61 17.848 2.508 -0.592 508 HZ1 LYS 61 HZ1 LYS 61 15.196 1.823 -1.720 509 HZ2 LYS 61 HZ2 LYS 61 16.162 0.872 -0.707 510 HZ3 LYS 61 HZ3 LYS 61 16.641 1.175 -2.309 511 H GLU 62 H GLU 62 12.860 4.412 3.659 512 HA GLU 62 HA GLU 62 15.351 3.751 4.843 513 HB2 GLU 62 HB2 GLU 62 13.894 5.615 5.605 514 HB3 GLU 62 HB3 GLU 62 12.741 4.435 6.210 515 HG2 GLU 62 HG2 GLU 62 14.069 5.270 8.030 516 HG3 GLU 62 HG3 GLU 62 14.460 3.574 7.747 517 H VAL 63 H VAL 63 12.324 2.104 4.502 518 HA VAL 63 HA VAL 63 12.669 0.232 6.616 519 HB VAL 63 HB VAL 63 10.915 0.019 4.164 520 HG11 VAL 63 HG11 VAL 63 10.782 -1.455 6.791 521 HG12 VAL 63 HG12 VAL 63 11.272 -2.141 5.241 522 HG13 VAL 63 HG13 VAL 63 9.614 -1.583 5.477 523 HG21 VAL 63 HG21 VAL 63 10.286 1.051 6.926 524 HG22 VAL 63 HG22 VAL 63 9.123 0.837 5.617 525 HG23 VAL 63 HG23 VAL 63 10.422 2.020 5.459 526 H ASP 64 H ASP 64 13.389 0.189 3.138 527 HA ASP 64 HA ASP 64 14.234 -2.549 3.211 528 HB2 ASP 64 HB2 ASP 64 14.954 -2.271 0.918 529 HB3 ASP 64 HB3 ASP 64 13.369 -1.543 1.123 530 H THR 65 H THR 65 15.848 0.574 3.361 531 HA THR 65 HA THR 65 18.462 -0.539 3.152 532 HB THR 65 HB THR 65 17.662 2.174 4.205 533 HG1 THR 65 HG1 THR 65 17.267 1.194 1.810 534 HG21 THR 65 HG21 THR 65 20.257 1.216 2.995 535 HG22 THR 65 HG22 THR 65 19.985 1.505 4.712 536 HG23 THR 65 HG23 THR 65 19.909 2.846 3.567 537 H SER 66 H SER 66 16.619 0.811 5.904 538 HA SER 66 HA SER 66 18.713 -0.102 7.711 539 HB2 SER 66 HB2 SER 66 16.200 1.498 8.225 540 HB3 SER 66 HB3 SER 66 17.432 1.134 9.431 541 HG SER 66 HG SER 66 17.478 2.935 7.304 542 H GLY 67 H GLY 67 16.564 -1.832 6.267 543 HA2 GLY 67 HA2 GLY 67 16.202 -3.595 8.528 544 HA3 GLY 67 HA3 GLY 67 14.709 -2.936 7.880 545 H LYS 68 H LYS 68 13.733 -4.481 6.785 546 HA LYS 68 HA LYS 68 15.294 -6.529 5.436 547 HB2 LYS 68 HB2 LYS 68 12.416 -6.251 6.212 548 HB3 LYS 68 HB3 LYS 68 12.858 -7.392 4.953 549 HG2 LYS 68 HG2 LYS 68 13.086 -8.839 6.635 550 HG3 LYS 68 HG3 LYS 68 14.630 -8.038 6.913 551 HD2 LYS 68 HD2 LYS 68 12.071 -7.141 8.227 552 HD3 LYS 68 HD3 LYS 68 13.126 -8.363 8.935 553 HE2 LYS 68 HE2 LYS 68 14.979 -6.729 8.904 554 HE3 LYS 68 HE3 LYS 68 13.866 -5.517 8.272 555 HZ1 LYS 68 HZ1 LYS 68 12.523 -5.817 10.300 556 HZ2 LYS 68 HZ2 LYS 68 14.077 -5.236 10.624 557 HZ3 LYS 68 HZ3 LYS 68 13.704 -6.864 10.915 558 H HIS 69 H HIS 69 16.123 -5.494 3.631 559 HA HIS 69 HA HIS 69 14.541 -3.946 1.864 560 HB2 HIS 69 HB2 HIS 69 16.418 -4.249 0.228 561 HB3 HIS 69 HB3 HIS 69 16.902 -3.598 1.784 562 HD1 HIS 69 HD1 HIS 69 18.909 -4.643 2.772 563 HD2 HIS 69 HD2 HIS 69 17.015 -7.173 0.059 564 HE1 HIS 69 HE1 HIS 69 20.383 -6.672 2.586 565 HE2 HIS 69 HE2 HIS 69 19.306 -8.111 0.819 566 H ASP 70 H ASP 70 15.051 -7.338 2.206 567 HA ASP 70 HA ASP 70 14.218 -8.195 -0.352 568 HB2 ASP 70 HB2 ASP 70 15.347 -9.605 1.410 569 HB3 ASP 70 HB3 ASP 70 13.817 -9.641 2.278 570 H VAL 71 H VAL 71 12.453 -7.849 2.701 571 HA VAL 71 HA VAL 71 9.916 -8.502 1.568 572 HB VAL 71 HB VAL 71 10.500 -7.144 4.208 573 HG11 VAL 71 HG11 VAL 71 8.174 -6.936 3.557 574 HG12 VAL 71 HG12 VAL 71 8.325 -8.088 4.883 575 HG13 VAL 71 HG13 VAL 71 8.082 -8.666 3.234 576 HG21 VAL 71 HG21 VAL 71 10.212 -10.079 3.573 577 HG22 VAL 71 HG22 VAL 71 10.377 -9.384 5.185 578 HG23 VAL 71 HG23 VAL 71 11.703 -9.254 4.030 579 H ALA 72 H ALA 72 11.577 -5.482 2.384 580 HA ALA 72 HA ALA 72 9.361 -3.773 2.091 581 HB1 ALA 72 HB1 ALA 72 11.409 -3.106 3.227 582 HB2 ALA 72 HB2 ALA 72 10.981 -1.967 1.950 583 HB3 ALA 72 HB3 ALA 72 12.277 -3.137 1.693 584 H GLN 73 H GLN 73 11.677 -5.010 -0.271 585 HA GLN 73 HA GLN 73 10.902 -3.412 -2.462 586 HB2 GLN 73 HB2 GLN 73 12.833 -5.158 -2.169 587 HB3 GLN 73 HB3 GLN 73 11.643 -6.303 -2.757 588 HG2 GLN 73 HG2 GLN 73 12.958 -5.591 -4.591 589 HG3 GLN 73 HG3 GLN 73 11.349 -4.900 -4.770 590 HE21 GLN 73 HE21 GLN 73 12.055 -3.248 -6.102 591 HE22 GLN 73 HE22 GLN 73 12.994 -1.913 -5.521 592 H ARG 74 H ARG 74 9.786 -6.587 -1.374 593 HA ARG 74 HA ARG 74 7.726 -6.982 -3.220 594 HB2 ARG 74 HB2 ARG 74 7.546 -7.724 -0.301 595 HB3 ARG 74 HB3 ARG 74 6.778 -8.528 -1.657 596 HG2 ARG 74 HG2 ARG 74 8.947 -9.308 -2.443 597 HG3 ARG 74 HG3 ARG 74 9.737 -8.465 -1.106 598 HD2 ARG 74 HD2 ARG 74 8.307 -9.827 0.451 599 HD3 ARG 74 HD3 ARG 74 7.811 -10.774 -0.950 600 HE ARG 74 HE ARG 74 10.676 -10.544 -0.385 601 HH11 ARG 74 HH11 ARG 74 7.750 -12.488 -0.316 602 HH12 ARG 74 HH12 ARG 74 8.610 -13.981 -0.079 603 HH21 ARG 74 HH21 ARG 74 11.793 -12.483 -0.066 604 HH22 ARG 74 HH22 ARG 74 10.915 -13.994 0.023 605 H LEU 75 H LEU 75 7.778 -5.230 -0.164 606 HA LEU 75 HA LEU 75 4.975 -4.755 -0.087 607 HB2 LEU 75 HB2 LEU 75 7.246 -3.513 1.450 608 HB3 LEU 75 HB3 LEU 75 5.553 -3.180 1.765 609 HG LEU 75 HG LEU 75 6.910 -5.865 2.039 610 HD11 LEU 75 HD11 LEU 75 7.547 -4.314 3.793 611 HD12 LEU 75 HD12 LEU 75 6.468 -5.554 4.432 612 HD13 LEU 75 HD13 LEU 75 5.854 -3.935 4.100 613 HD21 LEU 75 HD21 LEU 75 4.069 -5.038 2.627 614 HD22 LEU 75 HD22 LEU 75 4.787 -6.605 3.004 615 HD23 LEU 75 HD23 LEU 75 4.592 -6.105 1.325 616 H GLN 76 H GLN 76 7.676 -2.927 -1.408 617 HA GLN 76 HA GLN 76 6.220 -0.476 -1.545 618 HB2 GLN 76 HB2 GLN 76 8.032 0.261 -3.076 619 HB3 GLN 76 HB3 GLN 76 8.599 -0.336 -1.535 620 HG2 GLN 76 HG2 GLN 76 9.205 -2.448 -2.603 621 HG3 GLN 76 HG3 GLN 76 8.650 -1.810 -4.151 622 HE21 GLN 76 HE21 GLN 76 11.074 -1.597 -1.667 623 HE22 GLN 76 HE22 GLN 76 12.230 -0.707 -2.589 624 H GLN 77 H GLN 77 6.746 -3.132 -3.736 625 HA GLN 77 HA GLN 77 5.699 -2.107 -6.092 626 HB2 GLN 77 HB2 GLN 77 5.655 -4.917 -5.009 627 HB3 GLN 77 HB3 GLN 77 5.144 -4.503 -6.639 628 HG2 GLN 77 HG2 GLN 77 7.387 -3.592 -7.082 629 HG3 GLN 77 HG3 GLN 77 7.886 -4.099 -5.468 630 HE21 GLN 77 HE21 GLN 77 5.693 -5.966 -7.419 631 HE22 GLN 77 HE22 GLN 77 6.779 -7.272 -7.742 632 H ARG 78 H ARG 78 4.034 -2.797 -3.199 633 HA ARG 78 HA ARG 78 1.545 -3.680 -3.963 634 HB2 ARG 78 HB2 ARG 78 0.683 -2.720 -1.945 635 HB3 ARG 78 HB3 ARG 78 2.315 -3.285 -1.621 636 HG2 ARG 78 HG2 ARG 78 3.113 -0.950 -1.940 637 HG3 ARG 78 HG3 ARG 78 1.428 -0.445 -2.066 638 HD2 ARG 78 HD2 ARG 78 0.996 -1.266 0.182 639 HD3 ARG 78 HD3 ARG 78 2.657 -1.849 0.306 640 HE ARG 78 HE ARG 78 1.890 0.994 0.120 641 HH11 ARG 78 HH11 ARG 78 4.099 -1.519 1.117 642 HH12 ARG 78 HH12 ARG 78 5.112 -0.455 2.038 643 HH21 ARG 78 HH21 ARG 78 3.237 2.424 1.304 644 HH22 ARG 78 HH22 ARG 78 4.629 1.802 2.127 645 H VAL 79 H VAL 79 2.854 -0.444 -4.281 646 HA VAL 79 HA VAL 79 0.346 0.830 -4.779 647 HB VAL 79 HB VAL 79 3.073 1.871 -5.553 648 HG11 VAL 79 HG11 VAL 79 0.467 3.260 -4.939 649 HG12 VAL 79 HG12 VAL 79 1.227 3.111 -6.523 650 HG13 VAL 79 HG13 VAL 79 2.001 4.070 -5.260 651 HG21 VAL 79 HG21 VAL 79 1.621 2.200 -2.929 652 HG22 VAL 79 HG22 VAL 79 3.152 2.955 -3.375 653 HG23 VAL 79 HG23 VAL 79 3.052 1.204 -3.189 654 H THR 80 H THR 80 2.845 -0.602 -6.811 655 HA THR 80 HA THR 80 1.742 0.179 -9.297 656 HB THR 80 HB THR 80 3.340 -2.316 -8.679 657 HG1 THR 80 HG1 THR 80 4.124 0.344 -9.334 658 HG21 THR 80 HG21 THR 80 2.978 -0.806 -11.275 659 HG22 THR 80 HG22 THR 80 2.241 -2.359 -10.882 660 HG23 THR 80 HG23 THR 80 3.993 -2.228 -11.034 661 H ALA 81 H ALA 81 1.143 -2.506 -7.097 662 HA ALA 81 HA ALA 81 -0.673 -3.931 -8.724 663 HB1 ALA 81 HB1 ALA 81 0.339 -4.891 -6.709 664 HB2 ALA 81 HB2 ALA 81 -1.422 -4.981 -6.650 665 HB3 ALA 81 HB3 ALA 81 -0.569 -3.754 -5.712 666 H ILE 82 H ILE 82 -1.140 -1.407 -6.269 667 HA ILE 82 HA ILE 82 -3.892 -1.069 -6.385 668 HB ILE 82 HB ILE 82 -1.763 1.066 -6.128 669 HG12 ILE 82 HG12 ILE 82 -1.727 -0.694 -4.376 670 HG13 ILE 82 HG13 ILE 82 -2.128 0.896 -3.737 671 HG21 ILE 82 HG21 ILE 82 -3.845 2.090 -6.802 672 HG22 ILE 82 HG22 ILE 82 -3.518 2.460 -5.109 673 HG23 ILE 82 HG23 ILE 82 -4.713 1.231 -5.529 674 HD11 ILE 82 HD11 ILE 82 -4.080 -1.314 -4.329 675 HD12 ILE 82 HD12 ILE 82 -4.490 0.284 -3.701 676 HD13 ILE 82 HD13 ILE 82 -3.509 -0.819 -2.735 677 H MET 83 H MET 83 -1.380 0.260 -8.455 678 HA MET 83 HA MET 83 -2.921 1.992 -9.992 679 HB2 MET 83 HB2 MET 83 -0.297 1.399 -9.872 680 HB3 MET 83 HB3 MET 83 -0.713 0.557 -11.357 681 HG2 MET 83 HG2 MET 83 -0.124 2.583 -12.194 682 HG3 MET 83 HG3 MET 83 -1.849 2.842 -11.955 683 HE1 MET 83 HE1 MET 83 -2.873 4.294 -9.920 684 HE2 MET 83 HE2 MET 83 -1.882 4.943 -8.615 685 HE3 MET 83 HE3 MET 83 -2.074 3.199 -8.796 686 H ARG 84 H ARG 84 -2.308 -1.467 -10.374 687 HA ARG 84 HA ARG 84 -3.482 -1.642 -12.959 688 HB2 ARG 84 HB2 ARG 84 -1.862 -3.303 -12.150 689 HB3 ARG 84 HB3 ARG 84 -3.015 -3.836 -10.934 690 HG2 ARG 84 HG2 ARG 84 -4.507 -4.661 -12.598 691 HG3 ARG 84 HG3 ARG 84 -3.559 -3.925 -13.889 692 HD2 ARG 84 HD2 ARG 84 -2.627 -6.138 -12.064 693 HD3 ARG 84 HD3 ARG 84 -3.172 -6.343 -13.727 694 HE ARG 84 HE ARG 84 -0.598 -5.442 -12.845 695 HH11 ARG 84 HH11 ARG 84 -2.918 -5.243 -15.475 696 HH12 ARG 84 HH12 ARG 84 -1.716 -4.860 -16.671 697 HH21 ARG 84 HH21 ARG 84 0.975 -4.989 -14.419 698 HH22 ARG 84 HH22 ARG 84 0.508 -4.755 -16.081 699 H TYR 85 H TYR 85 -4.720 -2.549 -9.705 700 HA TYR 85 HA TYR 85 -7.265 -3.334 -10.583 701 HB2 TYR 85 HB2 TYR 85 -6.325 -2.229 -7.934 702 HB3 TYR 85 HB3 TYR 85 -7.970 -2.798 -8.203 703 HD1 TYR 85 HD2 TYR 85 -4.414 -3.866 -8.215 704 HD2 TYR 85 HD1 TYR 85 -8.485 -5.096 -8.100 705 HE1 TYR 85 HE2 TYR 85 -3.697 -6.159 -7.700 706 HE2 TYR 85 HE1 TYR 85 -7.778 -7.395 -7.587 707 HH TYR 85 HH TYR 85 -5.900 -8.825 -7.753 708 H ALA 86 H ALA 86 -5.914 -0.187 -9.941 709 HA ALA 86 HA ALA 86 -8.320 1.288 -9.880 710 HB1 ALA 86 HB1 ALA 86 -6.215 2.196 -9.053 711 HB2 ALA 86 HB2 ALA 86 -6.918 3.245 -10.285 712 HB3 ALA 86 HB3 ALA 86 -5.562 2.192 -10.691 713 H VAL 87 H VAL 87 -6.236 0.232 -12.529 714 HA VAL 87 HA VAL 87 -7.724 1.700 -14.520 715 HB VAL 87 HB VAL 87 -5.701 -0.525 -14.858 716 HG11 VAL 87 HG11 VAL 87 -5.535 0.229 -17.179 717 HG12 VAL 87 HG12 VAL 87 -6.824 1.398 -16.894 718 HG13 VAL 87 HG13 VAL 87 -7.164 -0.330 -16.800 719 HG21 VAL 87 HG21 VAL 87 -4.152 1.292 -15.455 720 HG22 VAL 87 HG22 VAL 87 -4.730 1.426 -13.795 721 HG23 VAL 87 HG23 VAL 87 -5.401 2.470 -15.046 722 H GLN 88 H GLN 88 -7.527 -1.620 -13.352 723 HA GLN 88 HA GLN 88 -9.206 -2.855 -15.205 724 HB2 GLN 88 HB2 GLN 88 -8.617 -3.471 -12.316 725 HB3 GLN 88 HB3 GLN 88 -9.630 -4.507 -13.314 726 HG2 GLN 88 HG2 GLN 88 -7.811 -4.957 -14.802 727 HG3 GLN 88 HG3 GLN 88 -6.795 -3.766 -13.990 728 HE21 GLN 88 HE21 GLN 88 -6.441 -6.665 -14.451 729 HE22 GLN 88 HE22 GLN 88 -6.167 -7.342 -12.882 730 H ASN 89 H ASN 89 -9.987 -0.891 -12.413 731 HA ASN 89 HA ASN 89 -12.842 -1.452 -12.879 732 HB2 ASN 89 HB2 ASN 89 -11.422 -0.599 -10.354 733 HB3 ASN 89 HB3 ASN 89 -13.175 -0.651 -10.518 734 HD21 ASN 89 HD21 ASN 89 -10.255 -2.526 -10.279 735 HD22 ASN 89 HD22 ASN 89 -11.026 -4.052 -9.994 736 H ASP 90 H ASP 90 -10.726 0.691 -13.830 737 HA ASP 90 HA ASP 90 -10.740 2.849 -14.526 738 HB2 ASP 90 HB2 ASP 90 -13.717 2.338 -14.503 739 HB3 ASP 90 HB3 ASP 90 -12.980 3.779 -15.194 740 H TYR 91 H TYR 91 -9.901 3.340 -12.313 741 HA TYR 91 HA TYR 91 -11.727 5.187 -10.924 742 HB2 TYR 91 HB2 TYR 91 -9.287 3.701 -9.979 743 HB3 TYR 91 HB3 TYR 91 -9.917 5.091 -9.104 744 HD1 TYR 91 HD1 TYR 91 -12.211 4.979 -8.122 745 HD2 TYR 91 HD2 TYR 91 -10.298 1.563 -9.779 746 HE1 TYR 91 HE1 TYR 91 -13.775 3.522 -6.907 747 HE2 TYR 91 HE2 TYR 91 -11.856 0.100 -8.567 748 HH TYR 91 HH TYR 91 -13.285 0.207 -6.546 749 H ILE 92 H ILE 92 -8.466 4.900 -12.281 750 HA ILE 92 HA ILE 92 -7.977 7.717 -11.618 751 HB ILE 92 HB ILE 92 -5.576 7.176 -12.014 752 HG12 ILE 92 HG12 ILE 92 -6.611 4.335 -12.176 753 HG13 ILE 92 HG13 ILE 92 -5.911 5.244 -13.510 754 HG21 ILE 92 HG21 ILE 92 -5.283 5.950 -9.920 755 HG22 ILE 92 HG22 ILE 92 -6.989 5.505 -9.944 756 HG23 ILE 92 HG23 ILE 92 -6.520 7.198 -9.774 757 HD11 ILE 92 HD11 ILE 92 -4.491 4.376 -11.004 758 HD12 ILE 92 HD12 ILE 92 -3.780 5.341 -12.295 759 HD13 ILE 92 HD13 ILE 92 -4.302 3.688 -12.617 760 H ASP 93 H ASP 93 -6.773 9.036 -13.127 761 HA ASP 93 HA ASP 93 -7.368 8.361 -15.936 762 HB2 ASP 93 HB2 ASP 93 -7.065 11.081 -14.644 763 HB3 ASP 93 HB3 ASP 93 -7.359 10.803 -16.355 764 H SER 94 H SER 94 -4.918 8.209 -13.898 765 HA SER 94 HA SER 94 -2.922 8.564 -15.953 766 HB2 SER 94 HB2 SER 94 -3.082 10.839 -14.976 767 HB3 SER 94 HB3 SER 94 -2.746 10.164 -13.380 768 HG SER 94 HG SER 94 -1.039 10.593 -15.548 769 H ASN 95 H ASN 95 -0.876 7.594 -15.351 770 HA ASN 95 HA ASN 95 -1.178 5.679 -13.127 771 HB2 ASN 95 HB2 ASN 95 0.047 5.250 -15.859 772 HB3 ASN 95 HB3 ASN 95 0.202 4.109 -14.527 773 HD21 ASN 95 HD21 ASN 95 -1.522 2.835 -13.973 774 HD22 ASN 95 HD22 ASN 95 -2.973 2.745 -14.904 775 HA PRO 96 HA PRO 96 2.600 8.148 -12.267 776 HB2 PRO 96 HB2 PRO 96 1.853 7.713 -9.473 777 HB3 PRO 96 HB3 PRO 96 2.083 9.229 -10.345 778 HG2 PRO 96 HG2 PRO 96 -0.349 8.380 -9.540 779 HG3 PRO 96 HG3 PRO 96 -0.114 9.325 -11.021 780 HD2 PRO 96 HD2 PRO 96 -0.504 6.371 -10.701 781 HD3 PRO 96 HD3 PRO 96 -1.206 7.475 -11.905 782 H ALA 97 H ALA 97 1.474 5.266 -10.478 783 HA ALA 97 HA ALA 97 4.252 4.669 -9.766 784 HB1 ALA 97 HB1 ALA 97 3.333 3.174 -8.098 785 HB2 ALA 97 HB2 ALA 97 1.705 3.448 -8.720 786 HB3 ALA 97 HB3 ALA 97 2.594 4.769 -7.963 787 H SER 98 H SER 98 3.258 4.175 -12.472 788 HA SER 98 HA SER 98 2.789 1.452 -12.940 789 HB2 SER 98 HB2 SER 98 4.369 3.328 -14.716 790 HB3 SER 98 HB3 SER 98 3.485 1.882 -15.212 791 HG SER 98 HG SER 98 2.230 3.694 -15.640 792 H ASP 99 H ASP 99 5.804 3.279 -12.674 793 HA ASP 99 HA ASP 99 7.317 0.765 -12.621 794 HB2 ASP 99 HB2 ASP 99 8.117 2.539 -14.161 795 HB3 ASP 99 HB3 ASP 99 8.326 3.616 -12.787 796 H MET 100 H MET 100 7.703 3.903 -11.011 797 HA MET 100 HA MET 100 7.762 4.556 -8.847 798 HB2 MET 100 HB2 MET 100 5.790 3.229 -8.413 799 HB3 MET 100 HB3 MET 100 6.757 1.769 -8.265 800 HG2 MET 100 HG2 MET 100 7.849 2.687 -6.284 801 HG3 MET 100 HG3 MET 100 6.879 4.150 -6.430 802 HE1 MET 100 HE1 MET 100 7.114 2.351 -3.801 803 HE2 MET 100 HE2 MET 100 5.437 2.346 -3.259 804 HE3 MET 100 HE3 MET 100 6.156 3.831 -3.884 805 H ALA 101 H ALA 101 8.987 1.223 -9.110 806 HA ALA 101 HA ALA 101 10.764 1.307 -6.975 807 HB1 ALA 101 HB1 ALA 101 11.834 -0.626 -7.972 808 HB2 ALA 101 HB2 ALA 101 11.062 -0.285 -9.521 809 HB3 ALA 101 HB3 ALA 101 10.082 -0.750 -8.129 810 H GLY 102 H GLY 102 11.345 2.076 -10.397 811 HA2 GLY 102 HA2 GLY 102 12.981 3.361 -11.373 812 HA3 GLY 102 HA3 GLY 102 13.417 3.930 -9.768 813 H ALA 103 H ALA 103 15.295 3.298 -8.955 814 HA ALA 103 HA ALA 103 16.597 0.933 -10.113 815 HB1 ALA 103 HB1 ALA 103 18.742 2.114 -10.071 816 HB2 ALA 103 HB2 ALA 103 17.927 3.575 -9.510 817 HB3 ALA 103 HB3 ALA 103 17.577 2.930 -11.114 818 H LEU 104 H LEU 104 16.567 -0.477 -8.505 819 HA LEU 104 HA LEU 104 16.530 -0.000 -5.772 820 HB2 LEU 104 HB2 LEU 104 16.137 -2.175 -7.078 821 HB3 LEU 104 HB3 LEU 104 17.874 -2.377 -7.052 822 HG LEU 104 HG LEU 104 16.238 -2.122 -4.528 823 HD11 LEU 104 HD11 LEU 104 15.429 -4.035 -5.806 824 HD12 LEU 104 HD12 LEU 104 16.321 -4.554 -4.378 825 HD13 LEU 104 HD13 LEU 104 17.081 -4.635 -5.967 826 HD21 LEU 104 HD21 LEU 104 18.640 -1.696 -4.298 827 HD22 LEU 104 HD22 LEU 104 18.990 -3.251 -5.051 828 HD23 LEU 104 HD23 LEU 104 18.170 -3.190 -3.491 829 H SER 105 H SER 105 19.336 -1.064 -7.680 830 HA SER 105 HA SER 105 21.055 0.880 -6.474 831 HB2 SER 105 HB2 SER 105 21.011 -0.849 -4.684 832 HB3 SER 105 HB3 SER 105 21.559 -2.050 -5.852 833 HG SER 105 HG SER 105 23.020 0.320 -5.386 834 H THR 106 H THR 106 21.238 -2.346 -7.975 835 HA THR 106 HA THR 106 22.564 -1.116 -10.290 836 HB THR 106 HB THR 106 24.003 -3.206 -10.423 837 HG1 THR 106 HG1 THR 106 22.593 -4.219 -8.681 838 HG21 THR 106 HG21 THR 106 24.431 -1.366 -8.066 839 HG22 THR 106 HG22 THR 106 24.953 -1.073 -9.725 840 HG23 THR 106 HG23 THR 106 25.664 -2.394 -8.798 841 H THR 107 H THR 107 21.257 -1.503 -11.977 842 HA THR 107 HA THR 107 19.587 -3.865 -12.037 843 HB THR 107 HB THR 107 19.074 -2.946 -14.413 844 HG1 THR 107 HG1 THR 107 20.994 -1.303 -13.807 845 HG21 THR 107 HG21 THR 107 17.514 -2.841 -12.546 846 HG22 THR 107 HG22 THR 107 17.468 -1.345 -13.478 847 HG23 THR 107 HG23 THR 107 18.322 -1.396 -11.937 848 H LYS 108 H LYS 108 22.430 -2.598 -13.686 849 HA LYS 108 HA LYS 108 23.056 -5.323 -14.556 850 HB2 LYS 108 HB2 LYS 108 22.459 -4.290 -16.571 851 HB3 LYS 108 HB3 LYS 108 23.152 -2.746 -16.093 852 HG2 LYS 108 HG2 LYS 108 25.337 -4.389 -16.082 853 HG3 LYS 108 HG3 LYS 108 24.382 -5.024 -17.425 854 HD2 LYS 108 HD2 LYS 108 25.946 -3.278 -18.135 855 HD3 LYS 108 HD3 LYS 108 24.274 -2.823 -18.424 856 HE2 LYS 108 HE2 LYS 108 24.291 -1.436 -16.428 857 HE3 LYS 108 HE3 LYS 108 25.942 -1.941 -16.073 858 HZ1 LYS 108 HZ1 LYS 108 25.901 0.230 -17.116 859 HZ2 LYS 108 HZ2 LYS 108 25.076 -0.396 -18.458 860 HZ3 LYS 108 HZ3 LYS 108 26.663 -0.893 -18.133 861 H ALA 109 H ALA 109 25.005 -5.973 -13.883 862 HA ALA 109 HA ALA 109 27.214 -4.142 -13.712 863 HB1 ALA 109 HB1 ALA 109 27.752 -4.596 -11.365 864 HB2 ALA 109 HB2 ALA 109 26.250 -5.505 -11.193 865 HB3 ALA 109 HB3 ALA 109 26.199 -3.773 -11.525 866 H ARG 110 H ARG 110 26.517 -7.226 -12.106 867 HA ARG 110 HA ARG 110 27.870 -8.802 -14.045 868 HB2 ARG 110 HB2 ARG 110 29.819 -7.714 -13.030 869 HB3 ARG 110 HB3 ARG 110 29.303 -8.267 -11.443 870 HG2 ARG 110 HG2 ARG 110 29.571 -10.591 -12.186 871 HG3 ARG 110 HG3 ARG 110 30.156 -10.003 -13.747 872 HD2 ARG 110 HD2 ARG 110 31.921 -8.768 -12.536 873 HD3 ARG 110 HD3 ARG 110 31.398 -9.549 -11.047 874 HE ARG 110 HE ARG 110 32.388 -11.075 -13.379 875 HH11 ARG 110 HH11 ARG 110 32.281 -10.443 -9.935 876 HH12 ARG 110 HH12 ARG 110 33.385 -11.718 -9.537 877 HH21 ARG 110 HH21 ARG 110 33.851 -12.757 -12.844 878 HH22 ARG 110 HH22 ARG 110 34.257 -13.037 -11.175 879 H HIS 111 H HIS 111 26.880 -10.667 -13.958 880 HA HIS 111 HA HIS 111 26.472 -12.003 -11.393 881 HB2 HIS 111 HB2 HIS 111 24.288 -11.360 -13.362 882 HB3 HIS 111 HB3 HIS 111 24.183 -12.796 -12.349 883 HD1 HIS 111 HD1 HIS 111 22.893 -9.565 -12.401 884 HD2 HIS 111 HD2 HIS 111 24.783 -11.815 -9.455 885 HE1 HIS 111 HE1 HIS 111 22.200 -8.537 -10.210 886 HE2 HIS 111 HE2 HIS 111 23.274 -9.976 -8.434 887 H TYR 112 H TYR 112 25.844 -12.311 -14.864 888 HA TYR 112 HA TYR 112 27.626 -14.584 -15.027 889 HB2 TYR 112 HB2 TYR 112 25.843 -15.937 -16.241 890 HB3 TYR 112 HB3 TYR 112 25.669 -15.816 -14.497 891 HD1 TYR 112 HD2 TYR 112 24.350 -14.582 -17.728 892 HD2 TYR 112 HD1 TYR 112 23.739 -14.834 -13.527 893 HE1 TYR 112 HE2 TYR 112 22.041 -13.791 -18.023 894 HE2 TYR 112 HE1 TYR 112 21.432 -14.039 -13.810 895 HH TYR 112 HH TYR 112 19.937 -13.803 -16.907 896 HA PRO 113 HA PRO 113 28.421 -12.791 -18.980 897 HB2 PRO 113 HB2 PRO 113 29.190 -14.961 -20.426 898 HB3 PRO 113 HB3 PRO 113 30.205 -14.220 -19.184 899 HG2 PRO 113 HG2 PRO 113 28.465 -16.647 -19.009 900 HG3 PRO 113 HG3 PRO 113 30.099 -16.392 -18.368 901 HD2 PRO 113 HD2 PRO 113 27.882 -16.231 -16.820 902 HD3 PRO 113 HD3 PRO 113 29.332 -15.250 -16.522 903 H LEU 114 H LEU 114 28.108 -13.753 -21.496 904 HA LEU 114 HA LEU 114 25.261 -13.473 -21.826 905 HB2 LEU 114 HB2 LEU 114 27.221 -12.480 -23.250 906 HB3 LEU 114 HB3 LEU 114 27.179 -14.032 -24.060 907 HG LEU 114 HG LEU 114 25.926 -12.256 -25.250 908 HD11 LEU 114 HD11 LEU 114 25.312 -14.576 -25.619 909 HD12 LEU 114 HD12 LEU 114 23.887 -13.540 -25.662 910 HD13 LEU 114 HD13 LEU 114 24.219 -14.520 -24.235 911 HD21 LEU 114 HD21 LEU 114 25.135 -10.993 -23.344 912 HD22 LEU 114 HD22 LEU 114 24.134 -12.353 -22.831 913 HD23 LEU 114 HD23 LEU 114 23.773 -11.511 -24.338 914 H GLU 115 H GLU 115 27.676 -15.831 -22.941 915 HA GLU 115 HA GLU 115 25.532 -17.851 -22.999 916 HB2 GLU 115 HB2 GLU 115 27.881 -17.429 -24.827 917 HB3 GLU 115 HB3 GLU 115 27.058 -18.979 -24.727 918 HG2 GLU 115 HG2 GLU 115 25.711 -16.380 -25.421 919 HG3 GLU 115 HG3 GLU 115 26.307 -17.552 -26.598 920 H HIS 116 H HIS 116 25.814 -18.829 -21.073 921 HA HIS 116 HA HIS 116 28.107 -20.595 -20.886 922 HB2 HIS 116 HB2 HIS 116 28.561 -18.375 -19.566 923 HB3 HIS 116 HB3 HIS 116 27.424 -19.046 -18.401 924 HD1 HIS 116 HD1 HIS 116 30.822 -19.649 -19.888 925 HD2 HIS 116 HD2 HIS 116 28.420 -21.099 -16.818 926 HE1 HIS 116 HE1 HIS 116 32.315 -21.116 -18.498 927 HE2 HIS 116 HE2 HIS 116 30.877 -21.894 -16.580 928 H HIS 117 H HIS 117 25.254 -20.667 -21.402 929 HA HIS 117 HA HIS 117 24.504 -22.660 -19.394 930 HB2 HIS 117 HB2 HIS 117 23.390 -20.462 -18.859 931 HB3 HIS 117 HB3 HIS 117 22.598 -20.544 -20.426 932 HD1 HIS 117 HD1 HIS 117 20.243 -21.172 -20.092 933 HD2 HIS 117 HD2 HIS 117 22.762 -23.214 -17.485 934 HE1 HIS 117 HE1 HIS 117 18.746 -22.667 -18.731 935 HE2 HIS 117 HE2 HIS 117 20.266 -23.754 -17.042 936 H HIS 118 H HIS 118 24.876 -24.297 -20.800 937 HA HIS 118 HA HIS 118 23.860 -24.036 -23.539 938 HB2 HIS 118 HB2 HIS 118 25.438 -25.883 -24.078 939 HB3 HIS 118 HB3 HIS 118 26.236 -24.459 -23.422 940 HD1 HIS 118 HD1 HIS 118 25.610 -28.063 -22.753 941 HD2 HIS 118 HD2 HIS 118 27.330 -24.802 -20.829 942 HE1 HIS 118 HE1 HIS 118 26.891 -29.016 -20.814 943 HE2 HIS 118 HE2 HIS 118 27.715 -27.005 -19.535 944 H HIS 119 H HIS 119 22.552 -25.513 -24.478 945 HA HIS 119 HA HIS 119 21.878 -27.997 -23.208 946 HB2 HIS 119 HB2 HIS 119 19.381 -27.433 -23.172 947 HB3 HIS 119 HB3 HIS 119 20.368 -26.783 -21.869 948 HD1 HIS 119 HD1 HIS 119 19.673 -24.515 -21.305 949 HD2 HIS 119 HD2 HIS 119 19.288 -25.237 -25.384 950 HE1 HIS 119 HE1 HIS 119 18.818 -22.364 -22.300 951 HE2 HIS 119 HE2 HIS 119 18.766 -22.771 -24.784 952 H HIS 120 H HIS 120 20.787 -29.401 -24.563 953 HA HIS 120 HA HIS 120 19.661 -28.626 -27.059 954 HB2 HIS 120 HB2 HIS 120 22.138 -28.415 -27.525 955 HB3 HIS 120 HB3 HIS 120 22.281 -30.141 -27.214 956 HD1 HIS 120 HD1 HIS 120 21.844 -31.678 -29.144 957 HD2 HIS 120 HD2 HIS 120 20.492 -27.804 -29.836 958 HE1 HIS 120 HE1 HIS 120 21.133 -31.626 -31.552 959 HE2 HIS 120 HE2 HIS 120 20.170 -29.327 -31.903 960 H HIS 121 H HIS 121 18.423 -30.290 -27.891 961 HA HIS 121 HA HIS 121 18.523 -32.809 -26.364 962 HB2 HIS 121 HB2 HIS 121 16.280 -31.672 -28.049 963 HB3 HIS 121 HB3 HIS 121 16.229 -33.210 -27.196 964 HD1 HIS 121 HD1 HIS 121 15.034 -29.934 -26.853 965 HD2 HIS 121 HD2 HIS 121 16.823 -32.627 -24.229 966 HE1 HIS 121 HE1 HIS 121 14.416 -29.141 -24.542 967 HE2 HIS 121 HE2 HIS 121 15.610 -30.713 -22.964 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -22.146 -6.779 7.808 2 H2 MET 1 H2 MET 1 -22.065 -5.114 7.516 3 H3 MET 1 H3 MET 1 -22.813 -5.686 8.923 4 HA MET 1 HA MET 1 -20.703 -6.579 9.697 5 HB2 MET 1 HB2 MET 1 -19.669 -5.232 7.194 6 HB3 MET 1 HB3 MET 1 -18.638 -5.729 8.526 7 HG2 MET 1 HG2 MET 1 -18.504 -7.402 6.858 8 HG3 MET 1 HG3 MET 1 -19.448 -8.061 8.191 9 HE1 MET 1 HE1 MET 1 -19.460 -6.733 4.524 10 HE2 MET 1 HE2 MET 1 -20.520 -5.555 5.298 11 HE3 MET 1 HE3 MET 1 -21.179 -6.702 4.133 12 H GLU 2 H GLU 2 -19.605 -5.346 11.183 13 HA GLU 2 HA GLU 2 -20.805 -2.959 11.989 14 HB2 GLU 2 HB2 GLU 2 -18.046 -3.986 12.680 15 HB3 GLU 2 HB3 GLU 2 -18.923 -2.747 13.563 16 HG2 GLU 2 HG2 GLU 2 -20.625 -4.352 14.185 17 HG3 GLU 2 HG3 GLU 2 -19.819 -5.601 13.236 18 H ASN 3 H ASN 3 -17.684 -3.464 10.367 19 HA ASN 3 HA ASN 3 -17.758 -0.635 9.562 20 HB2 ASN 3 HB2 ASN 3 -16.063 -1.215 11.378 21 HB3 ASN 3 HB3 ASN 3 -15.219 -2.150 10.149 22 HD21 ASN 3 HD21 ASN 3 -14.344 0.186 11.639 23 HD22 ASN 3 HD22 ASN 3 -13.948 1.381 10.448 24 H SER 4 H SER 4 -18.493 -0.956 7.509 25 HA SER 4 HA SER 4 -16.731 -2.517 5.743 26 HB2 SER 4 HB2 SER 4 -18.801 -3.131 4.435 27 HB3 SER 4 HB3 SER 4 -18.692 -3.874 6.031 28 HG SER 4 HG SER 4 -20.045 -1.425 5.701 29 H GLY 5 H GLY 5 -15.717 -0.999 4.596 30 HA2 GLY 5 HA2 GLY 5 -17.305 1.235 3.522 31 HA3 GLY 5 HA3 GLY 5 -15.556 1.226 3.696 32 H ALA 6 H ALA 6 -17.593 1.516 1.398 33 HA ALA 6 HA ALA 6 -16.930 -0.732 -0.312 34 HB1 ALA 6 HB1 ALA 6 -18.507 1.767 -0.912 35 HB2 ALA 6 HB2 ALA 6 -19.179 0.231 -0.364 36 HB3 ALA 6 HB3 ALA 6 -18.392 0.339 -1.939 37 H TYR 7 H TYR 7 -16.392 2.783 -0.342 38 HA TYR 7 HA TYR 7 -14.491 2.511 -2.528 39 HB2 TYR 7 HB2 TYR 7 -14.385 5.005 -2.424 40 HB3 TYR 7 HB3 TYR 7 -16.006 4.381 -2.693 41 HD1 TYR 7 HD1 TYR 7 -17.706 4.548 -0.932 42 HD2 TYR 7 HD2 TYR 7 -13.815 6.186 -0.407 43 HE1 TYR 7 HE1 TYR 7 -18.532 5.887 0.955 44 HE2 TYR 7 HE2 TYR 7 -14.631 7.524 1.487 45 HH TYR 7 HH TYR 7 -16.852 8.475 2.235 46 H THR 8 H THR 8 -14.185 1.702 0.433 47 HA THR 8 HA THR 8 -12.005 3.213 1.455 48 HB THR 8 HB THR 8 -13.012 0.446 2.145 49 HG1 THR 8 HG1 THR 8 -13.605 2.002 4.085 50 HG21 THR 8 HG21 THR 8 -10.675 0.752 2.854 51 HG22 THR 8 HG22 THR 8 -11.776 0.657 4.228 52 HG23 THR 8 HG23 THR 8 -11.140 2.220 3.714 53 H PHE 9 H PHE 9 -9.886 3.049 1.023 54 HA PHE 9 HA PHE 9 -8.830 1.624 -1.120 55 HB2 PHE 9 HB2 PHE 9 -7.769 3.604 -0.064 56 HB3 PHE 9 HB3 PHE 9 -7.358 2.622 1.335 57 HD1 PHE 9 HD1 PHE 9 -5.686 0.771 1.089 58 HD2 PHE 9 HD2 PHE 9 -6.448 3.589 -2.009 59 HE1 PHE 9 HE1 PHE 9 -3.553 0.169 0.017 60 HE2 PHE 9 HE2 PHE 9 -4.322 2.988 -3.086 61 HZ PHE 9 HZ PHE 9 -2.869 1.279 -2.072 62 H GLU 10 H GLU 10 -8.659 0.893 2.351 63 HA GLU 10 HA GLU 10 -7.122 -1.417 2.208 64 HB2 GLU 10 HB2 GLU 10 -9.346 -0.890 4.187 65 HB3 GLU 10 HB3 GLU 10 -7.988 -1.986 4.403 66 HG2 GLU 10 HG2 GLU 10 -7.268 -0.189 5.608 67 HG3 GLU 10 HG3 GLU 10 -6.577 0.191 4.033 68 H THR 11 H THR 11 -10.558 -0.980 1.659 69 HA THR 11 HA THR 11 -11.247 -3.741 1.687 70 HB THR 11 HB THR 11 -12.687 -1.473 0.298 71 HG1 THR 11 HG1 THR 11 -13.886 -1.398 2.285 72 HG21 THR 11 HG21 THR 11 -13.669 -4.155 1.295 73 HG22 THR 11 HG22 THR 11 -13.475 -3.684 -0.393 74 HG23 THR 11 HG23 THR 11 -14.681 -2.883 0.614 75 H ILE 12 H ILE 12 -10.308 -1.443 -0.820 76 HA ILE 12 HA ILE 12 -10.685 -3.226 -3.008 77 HB ILE 12 HB ILE 12 -8.949 -0.755 -2.823 78 HG12 ILE 12 HG12 ILE 12 -11.771 -1.113 -3.858 79 HG13 ILE 12 HG13 ILE 12 -11.337 -0.350 -2.333 80 HG21 ILE 12 HG21 ILE 12 -9.969 -2.242 -5.243 81 HG22 ILE 12 HG22 ILE 12 -8.293 -2.177 -4.693 82 HG23 ILE 12 HG23 ILE 12 -9.091 -0.714 -5.273 83 HD11 ILE 12 HD11 ILE 12 -10.182 1.418 -3.540 84 HD12 ILE 12 HD12 ILE 12 -11.867 1.291 -4.046 85 HD13 ILE 12 HD13 ILE 12 -10.586 0.644 -5.072 86 H ALA 13 H ALA 13 -8.019 -2.472 -0.859 87 HA ALA 13 HA ALA 13 -5.992 -3.881 -2.227 88 HB1 ALA 13 HB1 ALA 13 -6.251 -3.354 0.729 89 HB2 ALA 13 HB2 ALA 13 -5.530 -2.262 -0.453 90 HB3 ALA 13 HB3 ALA 13 -4.778 -3.822 -0.119 91 H ARG 14 H ARG 14 -8.563 -4.912 -0.119 92 HA ARG 14 HA ARG 14 -7.548 -7.463 0.563 93 HB2 ARG 14 HB2 ARG 14 -9.431 -6.400 1.742 94 HB3 ARG 14 HB3 ARG 14 -10.424 -6.574 0.302 95 HG2 ARG 14 HG2 ARG 14 -10.020 -9.057 0.469 96 HG3 ARG 14 HG3 ARG 14 -9.327 -8.748 2.062 97 HD2 ARG 14 HD2 ARG 14 -11.453 -7.670 2.715 98 HD3 ARG 14 HD3 ARG 14 -12.132 -8.132 1.155 99 HE ARG 14 HE ARG 14 -11.438 -10.509 1.941 100 HH11 ARG 14 HH11 ARG 14 -12.872 -7.968 3.901 101 HH12 ARG 14 HH12 ARG 14 -13.469 -9.074 5.113 102 HH21 ARG 14 HH21 ARG 14 -12.242 -11.939 3.512 103 HH22 ARG 14 HH22 ARG 14 -13.129 -11.321 4.874 104 H GLU 15 H GLU 15 -9.171 -6.210 -2.214 105 HA GLU 15 HA GLU 15 -10.397 -8.442 -3.279 106 HB2 GLU 15 HB2 GLU 15 -9.944 -5.839 -4.077 107 HB3 GLU 15 HB3 GLU 15 -9.077 -6.767 -5.291 108 HG2 GLU 15 HG2 GLU 15 -11.939 -7.256 -4.556 109 HG3 GLU 15 HG3 GLU 15 -11.436 -6.186 -5.858 110 H TRP 16 H TRP 16 -7.172 -7.235 -4.172 111 HA TRP 16 HA TRP 16 -6.512 -9.705 -5.491 112 HB2 TRP 16 HB2 TRP 16 -4.230 -8.624 -5.738 113 HB3 TRP 16 HB3 TRP 16 -5.575 -7.766 -6.478 114 HD1 TRP 16 HD1 TRP 16 -6.224 -5.395 -5.476 115 HE1 TRP 16 HE1 TRP 16 -5.010 -3.787 -3.876 116 HE3 TRP 16 HE3 TRP 16 -2.646 -8.573 -3.698 117 HZ2 TRP 16 HZ2 TRP 16 -2.824 -3.857 -2.095 118 HZ3 TRP 16 HZ3 TRP 16 -1.032 -7.727 -2.048 119 HH2 TRP 16 HH2 TRP 16 -1.123 -5.420 -1.263 120 H HIS 17 H HIS 17 -5.792 -8.264 -2.355 121 HA HIS 17 HA HIS 17 -3.676 -10.037 -1.704 122 HB2 HIS 17 HB2 HIS 17 -4.237 -7.766 -0.617 123 HB3 HIS 17 HB3 HIS 17 -5.361 -8.683 0.382 124 HD1 HIS 17 HD1 HIS 17 -3.969 -8.211 2.525 125 HD2 HIS 17 HD2 HIS 17 -1.890 -10.236 -0.452 126 HE1 HIS 17 HE1 HIS 17 -1.866 -9.057 3.622 127 HE2 HIS 17 HE2 HIS 17 -0.581 -10.220 1.784 128 H GLU 18 H GLU 18 -7.103 -10.378 -1.590 129 HA GLU 18 HA GLU 18 -7.560 -12.172 0.457 130 HB2 GLU 18 HB2 GLU 18 -9.264 -11.099 -1.028 131 HB3 GLU 18 HB3 GLU 18 -8.829 -12.243 -2.287 132 HG2 GLU 18 HG2 GLU 18 -10.760 -13.123 -1.341 133 HG3 GLU 18 HG3 GLU 18 -9.453 -14.060 -0.618 134 H SER 19 H SER 19 -5.988 -12.718 -2.587 135 HA SER 19 HA SER 19 -6.218 -15.483 -2.855 136 HB2 SER 19 HB2 SER 19 -5.294 -13.883 -4.555 137 HB3 SER 19 HB3 SER 19 -3.814 -13.801 -3.599 138 HG SER 19 HG SER 19 -4.934 -16.078 -4.870 139 H ASN 20 H ASN 20 -4.383 -13.618 -0.589 140 HA ASN 20 HA ASN 20 -3.036 -16.078 0.315 141 HB2 ASN 20 HB2 ASN 20 -1.999 -13.293 0.057 142 HB3 ASN 20 HB3 ASN 20 -1.393 -14.296 1.372 143 HD21 ASN 20 HD21 ASN 20 -1.481 -13.815 -2.055 144 HD22 ASN 20 HD22 ASN 20 -0.265 -14.979 -2.454 145 H LYS 21 H LYS 21 -5.651 -14.799 1.058 146 HA LYS 21 HA LYS 21 -5.189 -14.946 3.932 147 HB2 LYS 21 HB2 LYS 21 -6.307 -12.584 2.497 148 HB3 LYS 21 HB3 LYS 21 -6.999 -13.012 4.056 149 HG2 LYS 21 HG2 LYS 21 -4.111 -12.363 3.490 150 HG3 LYS 21 HG3 LYS 21 -5.275 -11.365 4.368 151 HD2 LYS 21 HD2 LYS 21 -5.479 -13.082 6.084 152 HD3 LYS 21 HD3 LYS 21 -4.360 -14.118 5.199 153 HE2 LYS 21 HE2 LYS 21 -2.622 -12.354 5.469 154 HE3 LYS 21 HE3 LYS 21 -3.750 -11.463 6.490 155 HZ1 LYS 21 HZ1 LYS 21 -2.670 -14.177 7.022 156 HZ2 LYS 21 HZ2 LYS 21 -3.827 -13.399 7.976 157 HZ3 LYS 21 HZ3 LYS 21 -2.259 -12.760 7.856 158 H ARG 22 H ARG 22 -7.379 -14.931 5.099 159 HA ARG 22 HA ARG 22 -9.408 -16.336 3.519 160 HB2 ARG 22 HB2 ARG 22 -8.122 -17.138 6.073 161 HB3 ARG 22 HB3 ARG 22 -9.865 -17.343 5.988 162 HG2 ARG 22 HG2 ARG 22 -8.757 -19.390 5.360 163 HG3 ARG 22 HG3 ARG 22 -9.596 -18.711 3.965 164 HD2 ARG 22 HD2 ARG 22 -7.428 -17.720 3.234 165 HD3 ARG 22 HD3 ARG 22 -6.644 -18.582 4.559 166 HE ARG 22 HE ARG 22 -7.875 -20.589 3.294 167 HH11 ARG 22 HH11 ARG 22 -5.932 -17.947 2.042 168 HH12 ARG 22 HH12 ARG 22 -5.318 -18.860 0.699 169 HH21 ARG 22 HH21 ARG 22 -7.110 -21.780 1.510 170 HH22 ARG 22 HH22 ARG 22 -6.014 -21.041 0.380 171 H TRP 23 H TRP 23 -11.577 -16.167 4.495 172 HA TRP 23 HA TRP 23 -12.170 -13.440 4.977 173 HB2 TRP 23 HB2 TRP 23 -14.036 -15.796 5.305 174 HB3 TRP 23 HB3 TRP 23 -14.483 -14.116 5.013 175 HD1 TRP 23 HD1 TRP 23 -13.974 -13.143 2.524 176 HE1 TRP 23 HE1 TRP 23 -13.770 -14.351 0.260 177 HE3 TRP 23 HE3 TRP 23 -13.342 -17.916 4.223 178 HZ2 TRP 23 HZ2 TRP 23 -13.398 -16.994 -0.670 179 HZ3 TRP 23 HZ3 TRP 23 -13.070 -19.731 2.587 180 HH2 TRP 23 HH2 TRP 23 -13.098 -19.277 0.190 181 H SER 24 H SER 24 -11.101 -12.868 6.858 182 HA SER 24 HA SER 24 -12.651 -13.430 9.267 183 HB2 SER 24 HB2 SER 24 -9.621 -13.542 9.173 184 HB3 SER 24 HB3 SER 24 -10.614 -13.692 10.621 185 HG SER 24 HG SER 24 -11.351 -15.643 9.937 186 H GLU 25 H GLU 25 -13.496 -11.424 9.445 187 HA GLU 25 HA GLU 25 -12.215 -9.059 8.638 188 HB2 GLU 25 HB2 GLU 25 -14.657 -9.694 10.203 189 HB3 GLU 25 HB3 GLU 25 -14.025 -8.058 10.320 190 HG2 GLU 25 HG2 GLU 25 -15.750 -8.264 8.602 191 HG3 GLU 25 HG3 GLU 25 -14.196 -7.779 7.929 192 H ASP 26 H ASP 26 -12.183 -10.732 11.724 193 HA ASP 26 HA ASP 26 -11.094 -8.659 13.285 194 HB2 ASP 26 HB2 ASP 26 -10.699 -11.645 13.512 195 HB3 ASP 26 HB3 ASP 26 -10.191 -10.478 14.729 196 H HIS 27 H HIS 27 -9.570 -11.160 11.314 197 HA HIS 27 HA HIS 27 -6.900 -10.436 11.876 198 HB2 HIS 27 HB2 HIS 27 -8.112 -11.835 9.483 199 HB3 HIS 27 HB3 HIS 27 -6.380 -11.636 9.718 200 HD1 HIS 27 HD1 HIS 27 -6.371 -14.318 9.657 201 HD2 HIS 27 HD2 HIS 27 -8.207 -12.575 12.961 202 HE1 HIS 27 HE1 HIS 27 -6.579 -16.152 11.367 203 HE2 HIS 27 HE2 HIS 27 -7.783 -15.106 13.321 204 H ARG 28 H ARG 28 -9.198 -9.497 9.385 205 HA ARG 28 HA ARG 28 -7.579 -7.839 7.836 206 HB2 ARG 28 HB2 ARG 28 -9.783 -8.491 7.099 207 HB3 ARG 28 HB3 ARG 28 -10.531 -7.689 8.470 208 HG2 ARG 28 HG2 ARG 28 -9.714 -5.519 7.566 209 HG3 ARG 28 HG3 ARG 28 -9.147 -6.385 6.135 210 HD2 ARG 28 HD2 ARG 28 -11.397 -7.117 5.643 211 HD3 ARG 28 HD3 ARG 28 -11.995 -6.388 7.131 212 HE ARG 28 HE ARG 28 -11.169 -4.976 4.701 213 HH11 ARG 28 HH11 ARG 28 -12.447 -4.871 7.951 214 HH12 ARG 28 HH12 ARG 28 -13.091 -3.269 7.796 215 HH21 ARG 28 HH21 ARG 28 -12.071 -2.861 4.466 216 HH22 ARG 28 HH22 ARG 28 -12.921 -2.142 5.802 217 H SER 29 H SER 29 -9.545 -7.063 10.694 218 HA SER 29 HA SER 29 -9.046 -4.294 10.668 219 HB2 SER 29 HB2 SER 29 -9.821 -6.100 12.969 220 HB3 SER 29 HB3 SER 29 -9.915 -4.338 12.984 221 HG SER 29 HG SER 29 -11.768 -5.980 12.193 222 H ARG 30 H ARG 30 -7.303 -6.965 12.174 223 HA ARG 30 HA ARG 30 -5.658 -5.191 13.741 224 HB2 ARG 30 HB2 ARG 30 -5.577 -8.175 13.313 225 HB3 ARG 30 HB3 ARG 30 -4.460 -7.306 14.363 226 HG2 ARG 30 HG2 ARG 30 -6.273 -6.553 15.753 227 HG3 ARG 30 HG3 ARG 30 -7.454 -7.275 14.659 228 HD2 ARG 30 HD2 ARG 30 -6.626 -9.490 15.175 229 HD3 ARG 30 HD3 ARG 30 -5.357 -8.801 16.193 230 HE ARG 30 HE ARG 30 -7.276 -7.883 17.565 231 HH11 ARG 30 HH11 ARG 30 -7.543 -10.845 15.710 232 HH12 ARG 30 HH12 ARG 30 -8.788 -11.520 16.720 233 HH21 ARG 30 HH21 ARG 30 -8.900 -8.748 18.883 234 HH22 ARG 30 HH22 ARG 30 -9.557 -10.318 18.546 235 H VAL 31 H VAL 31 -5.181 -7.255 10.892 236 HA VAL 31 HA VAL 31 -2.463 -6.554 10.501 237 HB VAL 31 HB VAL 31 -4.519 -7.502 8.490 238 HG11 VAL 31 HG11 VAL 31 -2.661 -6.400 7.363 239 HG12 VAL 31 HG12 VAL 31 -2.616 -8.142 7.093 240 HG13 VAL 31 HG13 VAL 31 -1.514 -7.401 8.252 241 HG21 VAL 31 HG21 VAL 31 -4.151 -9.096 10.285 242 HG22 VAL 31 HG22 VAL 31 -2.407 -8.997 10.042 243 HG23 VAL 31 HG23 VAL 31 -3.434 -9.689 8.787 244 H LEU 32 H LEU 32 -5.474 -5.007 9.728 245 HA LEU 32 HA LEU 32 -4.674 -3.155 7.804 246 HB2 LEU 32 HB2 LEU 32 -7.007 -3.555 8.539 247 HB3 LEU 32 HB3 LEU 32 -6.652 -2.761 10.056 248 HG LEU 32 HG LEU 32 -6.269 -1.228 7.515 249 HD11 LEU 32 HD11 LEU 32 -8.617 -0.533 7.595 250 HD12 LEU 32 HD12 LEU 32 -8.916 -1.700 8.883 251 HD13 LEU 32 HD13 LEU 32 -8.467 -2.262 7.272 252 HD21 LEU 32 HD21 LEU 32 -7.199 -0.497 10.293 253 HD22 LEU 32 HD22 LEU 32 -6.962 0.630 8.957 254 HD23 LEU 32 HD23 LEU 32 -5.583 -0.232 9.638 255 H ARG 33 H ARG 33 -4.280 -3.131 11.304 256 HA ARG 33 HA ARG 33 -3.411 -0.439 11.505 257 HB2 ARG 33 HB2 ARG 33 -4.253 -1.988 13.377 258 HB3 ARG 33 HB3 ARG 33 -2.617 -2.634 13.409 259 HG2 ARG 33 HG2 ARG 33 -1.745 -0.404 13.902 260 HG3 ARG 33 HG3 ARG 33 -3.386 0.244 13.867 261 HD2 ARG 33 HD2 ARG 33 -3.849 -1.581 15.663 262 HD3 ARG 33 HD3 ARG 33 -2.096 -1.560 15.870 263 HE ARG 33 HE ARG 33 -3.289 1.055 15.942 264 HH11 ARG 33 HH11 ARG 33 -2.371 -1.740 17.841 265 HH12 ARG 33 HH12 ARG 33 -2.498 -0.911 19.365 266 HH21 ARG 33 HH21 ARG 33 -3.443 2.161 17.938 267 HH22 ARG 33 HH22 ARG 33 -3.089 1.312 19.420 268 H TYR 34 H TYR 34 -1.730 -3.530 11.183 269 HA TYR 34 HA TYR 34 0.899 -2.518 11.277 270 HB2 TYR 34 HB2 TYR 34 0.338 -4.924 11.499 271 HB3 TYR 34 HB3 TYR 34 -0.134 -4.959 9.806 272 HD1 TYR 34 HD1 TYR 34 2.688 -4.802 12.141 273 HD2 TYR 34 HD2 TYR 34 1.544 -4.935 8.045 274 HE1 TYR 34 HE1 TYR 34 5.004 -5.341 11.516 275 HE2 TYR 34 HE2 TYR 34 3.858 -5.473 7.412 276 HH TYR 34 HH TYR 34 6.145 -5.155 8.358 277 H LEU 35 H LEU 35 -1.334 -3.142 8.619 278 HA LEU 35 HA LEU 35 0.265 -2.415 6.459 279 HB2 LEU 35 HB2 LEU 35 -1.941 -3.503 6.283 280 HB3 LEU 35 HB3 LEU 35 -2.711 -2.025 6.827 281 HG LEU 35 HG LEU 35 -1.827 -0.888 4.782 282 HD11 LEU 35 HD11 LEU 35 0.035 -2.339 4.284 283 HD12 LEU 35 HD12 LEU 35 -1.084 -2.314 2.920 284 HD13 LEU 35 HD13 LEU 35 -1.056 -3.697 4.015 285 HD21 LEU 35 HD21 LEU 35 -3.480 -1.869 3.271 286 HD22 LEU 35 HD22 LEU 35 -4.125 -1.700 4.905 287 HD23 LEU 35 HD23 LEU 35 -3.607 -3.281 4.323 288 H GLU 36 H GLU 36 -1.953 -0.422 8.387 289 HA GLU 36 HA GLU 36 -1.535 1.989 7.021 290 HB2 GLU 36 HB2 GLU 36 -3.425 1.724 8.490 291 HB3 GLU 36 HB3 GLU 36 -2.375 1.454 9.872 292 HG2 GLU 36 HG2 GLU 36 -1.560 3.754 9.692 293 HG3 GLU 36 HG3 GLU 36 -2.638 4.020 8.323 294 H LEU 37 H LEU 37 -0.046 0.826 10.046 295 HA LEU 37 HA LEU 37 1.416 3.210 10.476 296 HB2 LEU 37 HB2 LEU 37 1.813 0.454 11.629 297 HB3 LEU 37 HB3 LEU 37 2.597 1.908 12.218 298 HG LEU 37 HG LEU 37 -0.379 1.389 12.238 299 HD11 LEU 37 HD11 LEU 37 0.813 -0.002 13.836 300 HD12 LEU 37 HD12 LEU 37 -0.110 1.252 14.662 301 HD13 LEU 37 HD13 LEU 37 1.637 1.419 14.479 302 HD21 LEU 37 HD21 LEU 37 1.219 3.687 13.366 303 HD22 LEU 37 HD22 LEU 37 -0.514 3.430 13.571 304 HD23 LEU 37 HD23 LEU 37 0.145 3.759 11.968 305 H TYR 38 H TYR 38 2.140 0.375 8.606 306 HA TYR 38 HA TYR 38 4.975 1.133 8.541 307 HB2 TYR 38 HB2 TYR 38 3.567 -1.461 7.979 308 HB3 TYR 38 HB3 TYR 38 5.225 -1.179 7.457 309 HD1 TYR 38 HD2 TYR 38 3.063 -1.152 10.500 310 HD2 TYR 38 HD1 TYR 38 6.995 -1.570 8.925 311 HE1 TYR 38 HE2 TYR 38 3.882 -1.800 12.726 312 HE2 TYR 38 HE1 TYR 38 7.821 -2.220 11.146 313 HH TYR 38 HH TYR 38 7.224 -1.991 13.473 314 H ILE 39 H ILE 39 2.193 0.599 6.438 315 HA ILE 39 HA ILE 39 3.887 1.034 4.094 316 HB ILE 39 HB ILE 39 0.965 0.275 4.224 317 HG12 ILE 39 HG12 ILE 39 2.418 -1.479 5.123 318 HG13 ILE 39 HG13 ILE 39 1.740 -1.966 3.575 319 HG21 ILE 39 HG21 ILE 39 2.864 0.346 1.883 320 HG22 ILE 39 HG22 ILE 39 1.502 1.431 2.155 321 HG23 ILE 39 HG23 ILE 39 1.217 -0.283 1.850 322 HD11 ILE 39 HD11 ILE 39 4.525 -0.922 4.027 323 HD12 ILE 39 HD12 ILE 39 3.846 -1.414 2.477 324 HD13 ILE 39 HD13 ILE 39 4.074 -2.606 3.758 325 H PHE 40 H PHE 40 1.315 2.594 5.921 326 HA PHE 40 HA PHE 40 1.552 4.913 4.104 327 HB2 PHE 40 HB2 PHE 40 -0.954 4.221 5.635 328 HB3 PHE 40 HB3 PHE 40 -0.768 5.408 4.352 329 HD1 PHE 40 HD1 PHE 40 -0.374 4.585 1.997 330 HD2 PHE 40 HD2 PHE 40 -1.552 2.017 5.184 331 HE1 PHE 40 HE1 PHE 40 -1.154 2.918 0.365 332 HE2 PHE 40 HE2 PHE 40 -2.332 0.349 3.554 333 HZ PHE 40 HZ PHE 40 -2.138 0.792 1.144 334 HA PRO 41 HA PRO 41 2.293 5.711 8.736 335 HB2 PRO 41 HB2 PRO 41 4.946 6.719 8.043 336 HB3 PRO 41 HB3 PRO 41 4.500 5.442 9.176 337 HG2 PRO 41 HG2 PRO 41 5.765 4.940 6.838 338 HG3 PRO 41 HG3 PRO 41 4.633 3.796 7.581 339 HD2 PRO 41 HD2 PRO 41 4.194 5.698 5.309 340 HD3 PRO 41 HD3 PRO 41 3.628 4.025 5.506 341 H HIS 42 H HIS 42 3.952 7.774 6.342 342 HA HIS 42 HA HIS 42 2.665 10.102 7.585 343 HB2 HIS 42 HB2 HIS 42 5.168 9.878 5.916 344 HB3 HIS 42 HB3 HIS 42 4.411 11.423 6.295 345 HD1 HIS 42 HD1 HIS 42 7.290 10.495 7.223 346 HD2 HIS 42 HD2 HIS 42 3.831 10.437 9.538 347 HE1 HIS 42 HE1 HIS 42 8.070 10.575 9.615 348 HE2 HIS 42 HE2 HIS 42 5.970 10.386 10.999 349 H ILE 43 H ILE 43 2.127 8.079 5.080 350 HA ILE 43 HA ILE 43 1.273 10.237 3.266 351 HB ILE 43 HB ILE 43 1.399 8.599 1.433 352 HG12 ILE 43 HG12 ILE 43 2.653 6.763 3.490 353 HG13 ILE 43 HG13 ILE 43 1.041 6.562 2.813 354 HG21 ILE 43 HG21 ILE 43 3.948 8.890 3.021 355 HG22 ILE 43 HG22 ILE 43 3.294 10.057 1.869 356 HG23 ILE 43 HG23 ILE 43 3.848 8.480 1.308 357 HD11 ILE 43 HD11 ILE 43 2.003 6.240 0.598 358 HD12 ILE 43 HD12 ILE 43 2.649 5.075 1.756 359 HD13 ILE 43 HD13 ILE 43 3.620 6.464 1.266 360 H GLY 44 H GLY 44 -0.108 8.689 5.570 361 HA2 GLY 44 HA2 GLY 44 -2.135 7.086 4.399 362 HA3 GLY 44 HA3 GLY 44 -2.137 7.726 6.032 363 H SER 45 H SER 45 -1.768 10.398 4.224 364 HA SER 45 HA SER 45 -4.580 11.069 4.412 365 HB2 SER 45 HB2 SER 45 -2.323 12.807 3.404 366 HB3 SER 45 HB3 SER 45 -3.884 13.329 4.035 367 HG SER 45 HG SER 45 -1.601 12.836 5.361 368 H SER 46 H SER 46 -2.793 9.525 2.147 369 HA SER 46 HA SER 46 -3.713 10.941 -0.196 370 HB2 SER 46 HB2 SER 46 -2.409 8.214 -0.107 371 HB3 SER 46 HB3 SER 46 -2.441 9.358 -1.451 372 HG SER 46 HG SER 46 -0.921 9.410 0.911 373 H ASP 47 H ASP 47 -5.475 10.459 -1.395 374 HA ASP 47 HA ASP 47 -7.118 8.161 -0.604 375 HB2 ASP 47 HB2 ASP 47 -8.164 10.447 -0.736 376 HB3 ASP 47 HB3 ASP 47 -7.839 10.445 -2.464 377 H ILE 48 H ILE 48 -7.714 6.581 -2.100 378 HA ILE 48 HA ILE 48 -5.719 5.832 -3.900 379 HB ILE 48 HB ILE 48 -7.171 4.208 -2.848 380 HG12 ILE 48 HG12 ILE 48 -7.519 4.138 -5.852 381 HG13 ILE 48 HG13 ILE 48 -6.069 3.631 -4.994 382 HG21 ILE 48 HG21 ILE 48 -9.239 5.464 -2.818 383 HG22 ILE 48 HG22 ILE 48 -9.491 3.888 -3.571 384 HG23 ILE 48 HG23 ILE 48 -9.368 5.336 -4.571 385 HD11 ILE 48 HD11 ILE 48 -7.344 1.866 -3.892 386 HD12 ILE 48 HD12 ILE 48 -7.423 1.730 -5.648 387 HD13 ILE 48 HD13 ILE 48 -8.795 2.380 -4.752 388 H ARG 49 H ARG 49 -8.393 7.958 -4.431 389 HA ARG 49 HA ARG 49 -8.666 7.593 -7.233 390 HB2 ARG 49 HB2 ARG 49 -9.929 9.624 -7.239 391 HB3 ARG 49 HB3 ARG 49 -10.334 8.747 -5.770 392 HG2 ARG 49 HG2 ARG 49 -8.737 10.206 -4.534 393 HG3 ARG 49 HG3 ARG 49 -8.527 11.142 -6.016 394 HD2 ARG 49 HD2 ARG 49 -10.152 12.205 -4.571 395 HD3 ARG 49 HD3 ARG 49 -10.933 11.621 -6.042 396 HE ARG 49 HE ARG 49 -11.013 9.849 -3.728 397 HH11 ARG 49 HH11 ARG 49 -12.647 12.295 -5.642 398 HH12 ARG 49 HH12 ARG 49 -14.240 11.834 -5.111 399 HH21 ARG 49 HH21 ARG 49 -13.113 9.264 -2.999 400 HH22 ARG 49 HH22 ARG 49 -14.507 10.111 -3.619 401 H GLN 50 H GLN 50 -6.283 9.154 -5.318 402 HA GLN 50 HA GLN 50 -4.909 10.014 -7.719 403 HB2 GLN 50 HB2 GLN 50 -6.188 11.997 -7.056 404 HB3 GLN 50 HB3 GLN 50 -5.505 11.909 -5.441 405 HG2 GLN 50 HG2 GLN 50 -4.440 13.628 -6.789 406 HG3 GLN 50 HG3 GLN 50 -3.297 12.375 -6.317 407 HE21 GLN 50 HE21 GLN 50 -2.406 11.049 -7.881 408 HE22 GLN 50 HE22 GLN 50 -2.558 11.377 -9.572 409 H LEU 51 H LEU 51 -3.618 8.262 -7.166 410 HA LEU 51 HA LEU 51 -2.147 8.223 -4.702 411 HB2 LEU 51 HB2 LEU 51 -2.831 6.334 -6.491 412 HB3 LEU 51 HB3 LEU 51 -1.216 6.689 -7.072 413 HG LEU 51 HG LEU 51 -1.376 4.742 -5.506 414 HD11 LEU 51 HD11 LEU 51 0.355 7.035 -4.596 415 HD12 LEU 51 HD12 LEU 51 0.750 5.863 -5.853 416 HD13 LEU 51 HD13 LEU 51 0.590 5.337 -4.177 417 HD21 LEU 51 HD21 LEU 51 -1.957 6.883 -3.466 418 HD22 LEU 51 HD22 LEU 51 -1.627 5.186 -3.116 419 HD23 LEU 51 HD23 LEU 51 -3.079 5.637 -4.012 420 H LYS 52 H LYS 52 0.152 8.554 -4.538 421 HA LYS 52 HA LYS 52 0.944 10.814 -6.203 422 HB2 LYS 52 HB2 LYS 52 1.978 9.803 -3.551 423 HB3 LYS 52 HB3 LYS 52 2.635 11.202 -4.395 424 HG2 LYS 52 HG2 LYS 52 0.462 12.313 -4.251 425 HG3 LYS 52 HG3 LYS 52 -0.211 10.903 -3.436 426 HD2 LYS 52 HD2 LYS 52 1.422 11.229 -1.606 427 HD3 LYS 52 HD3 LYS 52 1.989 12.694 -2.411 428 HE2 LYS 52 HE2 LYS 52 -0.330 13.591 -2.272 429 HE3 LYS 52 HE3 LYS 52 -0.776 12.172 -1.327 430 HZ1 LYS 52 HZ1 LYS 52 1.230 14.229 -0.573 431 HZ2 LYS 52 HZ2 LYS 52 0.892 12.832 0.327 432 HZ3 LYS 52 HZ3 LYS 52 -0.305 14.017 0.121 433 H THR 53 H THR 53 3.349 11.060 -6.558 434 HA THR 53 HA THR 53 4.297 8.821 -8.057 435 HB THR 53 HB THR 53 5.982 11.219 -7.342 436 HG1 THR 53 HG1 THR 53 4.012 12.110 -7.986 437 HG21 THR 53 HG21 THR 53 6.824 10.933 -9.617 438 HG22 THR 53 HG22 THR 53 5.694 9.605 -9.880 439 HG23 THR 53 HG23 THR 53 6.995 9.433 -8.703 440 H SER 54 H SER 54 6.901 8.504 -7.678 441 HA SER 54 HA SER 54 6.942 6.737 -5.485 442 HB2 SER 54 HB2 SER 54 9.334 7.639 -7.076 443 HB3 SER 54 HB3 SER 54 9.053 6.070 -6.319 444 HG SER 54 HG SER 54 8.695 6.157 -8.640 445 H HIS 55 H HIS 55 7.013 9.889 -5.028 446 HA HIS 55 HA HIS 55 9.443 10.185 -3.522 447 HB2 HIS 55 HB2 HIS 55 8.546 12.352 -2.794 448 HB3 HIS 55 HB3 HIS 55 8.467 12.163 -4.538 449 HD1 HIS 55 HD1 HIS 55 6.338 12.558 -1.501 450 HD2 HIS 55 HD2 HIS 55 5.885 12.118 -5.613 451 HE1 HIS 55 HE1 HIS 55 3.939 13.124 -1.985 452 HE2 HIS 55 HE2 HIS 55 3.779 13.125 -4.501 453 H LEU 56 H LEU 56 6.246 9.079 -2.921 454 HA LEU 56 HA LEU 56 6.239 9.297 -0.097 455 HB2 LEU 56 HB2 LEU 56 4.397 7.599 -0.226 456 HB3 LEU 56 HB3 LEU 56 4.144 9.058 -1.156 457 HG LEU 56 HG LEU 56 4.979 7.694 -3.176 458 HD11 LEU 56 HD11 LEU 56 5.880 5.795 -1.921 459 HD12 LEU 56 HD12 LEU 56 4.623 5.294 -3.052 460 HD13 LEU 56 HD13 LEU 56 4.261 5.421 -1.331 461 HD21 LEU 56 HD21 LEU 56 2.350 7.041 -1.857 462 HD22 LEU 56 HD22 LEU 56 2.732 6.799 -3.561 463 HD23 LEU 56 HD23 LEU 56 2.683 8.429 -2.891 464 H LEU 57 H LEU 57 8.026 7.322 -2.148 465 HA LEU 57 HA LEU 57 8.070 4.917 -0.616 466 HB2 LEU 57 HB2 LEU 57 8.531 4.913 -2.993 467 HB3 LEU 57 HB3 LEU 57 9.905 5.976 -2.765 468 HG LEU 57 HG LEU 57 11.094 4.206 -1.568 469 HD11 LEU 57 HD11 LEU 57 8.648 2.548 -2.149 470 HD12 LEU 57 HD12 LEU 57 9.220 3.057 -0.561 471 HD13 LEU 57 HD13 LEU 57 10.176 1.928 -1.522 472 HD21 LEU 57 HD21 LEU 57 9.969 3.320 -4.220 473 HD22 LEU 57 HD22 LEU 57 11.435 2.695 -3.462 474 HD23 LEU 57 HD23 LEU 57 11.360 4.379 -3.980 475 H ALA 58 H ALA 58 9.614 7.933 -0.258 476 HA ALA 58 HA ALA 58 12.140 7.323 0.660 477 HB1 ALA 58 HB1 ALA 58 11.314 9.602 0.203 478 HB2 ALA 58 HB2 ALA 58 12.170 9.471 1.739 479 HB3 ALA 58 HB3 ALA 58 10.408 9.552 1.716 480 HA PRO 59 HA PRO 59 10.284 7.055 5.287 481 HB2 PRO 59 HB2 PRO 59 7.738 5.768 4.414 482 HB3 PRO 59 HB3 PRO 59 8.068 6.791 5.813 483 HG2 PRO 59 HG2 PRO 59 6.813 7.768 3.679 484 HG3 PRO 59 HG3 PRO 59 7.989 8.745 4.580 485 HD2 PRO 59 HD2 PRO 59 8.264 7.411 1.937 486 HD3 PRO 59 HD3 PRO 59 9.003 8.911 2.530 487 H ILE 60 H ILE 60 9.106 4.695 2.893 488 HA ILE 60 HA ILE 60 9.619 2.414 4.473 489 HB ILE 60 HB ILE 60 9.360 2.655 1.466 490 HG12 ILE 60 HG12 ILE 60 7.082 1.545 2.044 491 HG13 ILE 60 HG13 ILE 60 7.385 2.134 3.673 492 HG21 ILE 60 HG21 ILE 60 10.541 0.613 2.044 493 HG22 ILE 60 HG22 ILE 60 8.919 0.250 1.453 494 HG23 ILE 60 HG23 ILE 60 9.265 0.177 3.180 495 HD11 ILE 60 HD11 ILE 60 7.194 3.823 1.192 496 HD12 ILE 60 HD12 ILE 60 7.502 4.420 2.822 497 HD13 ILE 60 HD13 ILE 60 5.959 3.656 2.440 498 H LYS 61 H LYS 61 11.581 4.324 2.343 499 HA LYS 61 HA LYS 61 13.599 2.377 1.881 500 HB2 LYS 61 HB2 LYS 61 13.393 5.317 1.406 501 HB3 LYS 61 HB3 LYS 61 14.951 4.510 1.234 502 HG2 LYS 61 HG2 LYS 61 12.411 3.877 -0.256 503 HG3 LYS 61 HG3 LYS 61 13.886 4.597 -0.913 504 HD2 LYS 61 HD2 LYS 61 15.123 2.566 -0.378 505 HD3 LYS 61 HD3 LYS 61 13.672 1.849 0.309 506 HE2 LYS 61 HE2 LYS 61 12.584 1.912 -1.868 507 HE3 LYS 61 HE3 LYS 61 14.009 2.673 -2.571 508 HZ1 LYS 61 HZ1 LYS 61 13.797 0.198 -2.897 509 HZ2 LYS 61 HZ2 LYS 61 14.125 0.020 -1.243 510 HZ3 LYS 61 HZ3 LYS 61 15.274 0.735 -2.269 511 H GLU 62 H GLU 62 13.021 4.617 4.431 512 HA GLU 62 HA GLU 62 15.535 4.732 5.634 513 HB2 GLU 62 HB2 GLU 62 13.650 6.048 6.454 514 HB3 GLU 62 HB3 GLU 62 12.819 4.583 6.960 515 HG2 GLU 62 HG2 GLU 62 14.595 4.138 8.582 516 HG3 GLU 62 HG3 GLU 62 15.418 5.613 8.080 517 H VAL 63 H VAL 63 12.973 2.290 6.005 518 HA VAL 63 HA VAL 63 14.577 0.616 7.714 519 HB VAL 63 HB VAL 63 12.082 -0.167 6.198 520 HG11 VAL 63 HG11 VAL 63 13.258 -1.225 8.765 521 HG12 VAL 63 HG12 VAL 63 13.337 -2.017 7.191 522 HG13 VAL 63 HG13 VAL 63 11.779 -1.787 7.984 523 HG21 VAL 63 HG21 VAL 63 12.287 1.134 8.911 524 HG22 VAL 63 HG22 VAL 63 10.811 0.495 8.186 525 HG23 VAL 63 HG23 VAL 63 11.634 1.869 7.447 526 H ASP 64 H ASP 64 13.767 0.824 4.333 527 HA ASP 64 HA ASP 64 14.677 -1.585 3.317 528 HB2 ASP 64 HB2 ASP 64 13.480 0.093 1.999 529 HB3 ASP 64 HB3 ASP 64 14.850 1.186 2.111 530 H THR 65 H THR 65 16.508 1.439 3.688 531 HA THR 65 HA THR 65 18.938 0.416 2.701 532 HB THR 65 HB THR 65 19.965 2.436 3.803 533 HG1 THR 65 HG1 THR 65 17.255 3.065 4.446 534 HG21 THR 65 HG21 THR 65 18.843 4.043 2.325 535 HG22 THR 65 HG22 THR 65 17.525 2.897 2.081 536 HG23 THR 65 HG23 THR 65 19.144 2.512 1.501 537 H SER 66 H SER 66 17.487 0.242 5.847 538 HA SER 66 HA SER 66 19.865 -0.313 7.311 539 HB2 SER 66 HB2 SER 66 17.001 -1.047 7.957 540 HB3 SER 66 HB3 SER 66 18.351 -1.052 9.091 541 HG SER 66 HG SER 66 16.891 0.878 8.994 542 H GLY 67 H GLY 67 18.115 -2.106 5.039 543 HA2 GLY 67 HA2 GLY 67 19.420 -4.131 4.342 544 HA3 GLY 67 HA3 GLY 67 19.327 -4.615 6.029 545 H LYS 68 H LYS 68 16.475 -3.268 5.721 546 HA LYS 68 HA LYS 68 15.177 -5.823 5.263 547 HB2 LYS 68 HB2 LYS 68 14.108 -3.152 6.165 548 HB3 LYS 68 HB3 LYS 68 13.139 -4.613 6.021 549 HG2 LYS 68 HG2 LYS 68 15.573 -4.444 7.769 550 HG3 LYS 68 HG3 LYS 68 13.960 -4.018 8.318 551 HD2 LYS 68 HD2 LYS 68 14.242 -6.256 8.989 552 HD3 LYS 68 HD3 LYS 68 13.256 -6.349 7.531 553 HE2 LYS 68 HE2 LYS 68 15.350 -6.773 6.235 554 HE3 LYS 68 HE3 LYS 68 16.219 -6.857 7.765 555 HZ1 LYS 68 HZ1 LYS 68 14.745 -8.706 8.405 556 HZ2 LYS 68 HZ2 LYS 68 15.676 -9.051 7.036 557 HZ3 LYS 68 HZ3 LYS 68 14.037 -8.662 6.866 558 H HIS 69 H HIS 69 16.346 -4.098 3.118 559 HA HIS 69 HA HIS 69 14.318 -3.142 1.447 560 HB2 HIS 69 HB2 HIS 69 15.996 -3.578 -0.432 561 HB3 HIS 69 HB3 HIS 69 16.478 -2.472 0.845 562 HD1 HIS 69 HD1 HIS 69 18.677 -2.905 1.881 563 HD2 HIS 69 HD2 HIS 69 17.209 -6.251 -0.101 564 HE1 HIS 69 HE1 HIS 69 20.540 -4.598 1.939 565 HE2 HIS 69 HE2 HIS 69 19.620 -6.633 0.768 566 H ASP 70 H ASP 70 15.012 -6.344 2.327 567 HA ASP 70 HA ASP 70 14.119 -7.659 -0.028 568 HB2 ASP 70 HB2 ASP 70 13.944 -9.665 1.347 569 HB3 ASP 70 HB3 ASP 70 15.445 -8.820 1.700 570 H VAL 71 H VAL 71 12.469 -6.899 3.051 571 HA VAL 71 HA VAL 71 9.899 -7.579 1.982 572 HB VAL 71 HB VAL 71 8.959 -6.527 4.023 573 HG11 VAL 71 HG11 VAL 71 11.226 -8.448 4.514 574 HG12 VAL 71 HG12 VAL 71 9.584 -8.875 4.031 575 HG13 VAL 71 HG13 VAL 71 9.880 -8.143 5.610 576 HG21 VAL 71 HG21 VAL 71 11.841 -5.978 4.729 577 HG22 VAL 71 HG22 VAL 71 10.459 -5.774 5.804 578 HG23 VAL 71 HG23 VAL 71 10.611 -4.764 4.366 579 H ALA 72 H ALA 72 11.782 -4.646 2.336 580 HA ALA 72 HA ALA 72 9.746 -2.768 1.975 581 HB1 ALA 72 HB1 ALA 72 12.652 -2.525 1.222 582 HB2 ALA 72 HB2 ALA 72 11.964 -2.199 2.813 583 HB3 ALA 72 HB3 ALA 72 11.518 -1.191 1.435 584 H GLN 73 H GLN 73 12.066 -3.979 -0.465 585 HA GLN 73 HA GLN 73 11.019 -2.568 -2.640 586 HB2 GLN 73 HB2 GLN 73 13.181 -4.008 -2.382 587 HB3 GLN 73 HB3 GLN 73 12.168 -5.319 -2.954 588 HG2 GLN 73 HG2 GLN 73 13.237 -4.501 -4.854 589 HG3 GLN 73 HG3 GLN 73 11.601 -3.856 -4.926 590 HE21 GLN 73 HE21 GLN 73 13.988 -2.897 -6.231 591 HE22 GLN 73 HE22 GLN 73 14.232 -1.271 -5.698 592 H ARG 74 H ARG 74 10.364 -5.855 -1.541 593 HA ARG 74 HA ARG 74 8.500 -6.639 -3.441 594 HB2 ARG 74 HB2 ARG 74 8.893 -7.357 -0.558 595 HB3 ARG 74 HB3 ARG 74 7.549 -8.030 -1.467 596 HG2 ARG 74 HG2 ARG 74 10.070 -8.290 -2.877 597 HG3 ARG 74 HG3 ARG 74 10.094 -9.063 -1.290 598 HD2 ARG 74 HD2 ARG 74 8.065 -9.519 -3.473 599 HD3 ARG 74 HD3 ARG 74 9.347 -10.630 -2.990 600 HE ARG 74 HE ARG 74 7.585 -9.899 -0.833 601 HH11 ARG 74 HH11 ARG 74 7.999 -12.088 -3.555 602 HH12 ARG 74 HH12 ARG 74 7.032 -13.349 -2.839 603 HH21 ARG 74 HH21 ARG 74 6.295 -11.533 0.084 604 HH22 ARG 74 HH22 ARG 74 6.029 -13.015 -0.788 605 H LEU 75 H LEU 75 7.919 -4.973 -0.349 606 HA LEU 75 HA LEU 75 5.087 -4.956 -0.718 607 HB2 LEU 75 HB2 LEU 75 6.851 -3.476 1.227 608 HB3 LEU 75 HB3 LEU 75 5.097 -3.446 1.269 609 HG LEU 75 HG LEU 75 6.832 -5.891 1.645 610 HD11 LEU 75 HD11 LEU 75 6.900 -4.368 3.549 611 HD12 LEU 75 HD12 LEU 75 6.011 -5.840 3.942 612 HD13 LEU 75 HD13 LEU 75 5.139 -4.346 3.601 613 HD21 LEU 75 HD21 LEU 75 3.837 -5.584 1.804 614 HD22 LEU 75 HD22 LEU 75 4.748 -7.041 2.195 615 HD23 LEU 75 HD23 LEU 75 4.724 -6.434 0.540 616 H GLN 76 H GLN 76 7.665 -2.644 -1.370 617 HA GLN 76 HA GLN 76 5.917 -0.421 -1.691 618 HB2 GLN 76 HB2 GLN 76 7.837 0.767 -2.567 619 HB3 GLN 76 HB3 GLN 76 8.279 -0.112 -1.121 620 HG2 GLN 76 HG2 GLN 76 10.070 -0.671 -2.332 621 HG3 GLN 76 HG3 GLN 76 8.997 -1.882 -3.027 622 HE21 GLN 76 HE21 GLN 76 11.333 -0.588 -4.179 623 HE22 GLN 76 HE22 GLN 76 10.792 0.199 -5.627 624 H GLN 77 H GLN 77 7.445 -2.637 -3.972 625 HA GLN 77 HA GLN 77 6.463 -1.390 -6.308 626 HB2 GLN 77 HB2 GLN 77 8.349 -3.071 -6.174 627 HB3 GLN 77 HB3 GLN 77 7.122 -4.320 -6.006 628 HG2 GLN 77 HG2 GLN 77 6.168 -3.587 -8.183 629 HG3 GLN 77 HG3 GLN 77 7.535 -2.486 -8.355 630 HE21 GLN 77 HE21 GLN 77 6.481 -5.785 -8.401 631 HE22 GLN 77 HE22 GLN 77 7.934 -6.454 -9.067 632 H ARG 78 H ARG 78 4.950 -3.307 -3.942 633 HA ARG 78 HA ARG 78 3.013 -4.659 -5.479 634 HB2 ARG 78 HB2 ARG 78 3.724 -4.993 -3.011 635 HB3 ARG 78 HB3 ARG 78 2.542 -3.741 -2.659 636 HG2 ARG 78 HG2 ARG 78 1.480 -5.840 -2.348 637 HG3 ARG 78 HG3 ARG 78 0.832 -5.135 -3.833 638 HD2 ARG 78 HD2 ARG 78 1.294 -7.476 -4.194 639 HD3 ARG 78 HD3 ARG 78 2.419 -6.501 -5.137 640 HE ARG 78 HE ARG 78 3.477 -7.225 -2.583 641 HH11 ARG 78 HH11 ARG 78 3.058 -8.284 -5.893 642 HH12 ARG 78 HH12 ARG 78 4.301 -9.501 -5.792 643 HH21 ARG 78 HH21 ARG 78 5.130 -8.802 -2.459 644 HH22 ARG 78 HH22 ARG 78 5.471 -9.791 -3.842 645 H VAL 79 H VAL 79 3.211 -1.371 -4.329 646 HA VAL 79 HA VAL 79 0.446 -0.774 -4.398 647 HB VAL 79 HB VAL 79 2.175 0.643 -3.261 648 HG11 VAL 79 HG11 VAL 79 2.738 1.629 -6.051 649 HG12 VAL 79 HG12 VAL 79 3.847 0.717 -5.024 650 HG13 VAL 79 HG13 VAL 79 3.346 2.345 -4.559 651 HG21 VAL 79 HG21 VAL 79 -0.094 1.446 -3.597 652 HG22 VAL 79 HG22 VAL 79 0.341 2.053 -5.194 653 HG23 VAL 79 HG23 VAL 79 1.063 2.768 -3.752 654 H THR 80 H THR 80 2.927 -0.837 -6.868 655 HA THR 80 HA THR 80 1.588 0.529 -8.915 656 HB THR 80 HB THR 80 3.419 -1.842 -9.323 657 HG1 THR 80 HG1 THR 80 4.219 0.877 -9.005 658 HG21 THR 80 HG21 THR 80 2.918 0.661 -10.939 659 HG22 THR 80 HG22 THR 80 2.358 -0.962 -11.342 660 HG23 THR 80 HG23 THR 80 4.084 -0.601 -11.339 661 H ALA 81 H ALA 81 1.270 -2.730 -7.674 662 HA ALA 81 HA ALA 81 -0.339 -3.708 -9.838 663 HB1 ALA 81 HB1 ALA 81 -0.033 -4.806 -7.045 664 HB2 ALA 81 HB2 ALA 81 0.988 -5.220 -8.422 665 HB3 ALA 81 HB3 ALA 81 -0.721 -5.652 -8.431 666 H ILE 82 H ILE 82 -0.907 -2.248 -6.697 667 HA ILE 82 HA ILE 82 -3.694 -2.637 -6.533 668 HB ILE 82 HB ILE 82 -2.138 -0.272 -5.458 669 HG12 ILE 82 HG12 ILE 82 -2.690 -2.946 -4.146 670 HG13 ILE 82 HG13 ILE 82 -1.131 -2.425 -4.776 671 HG21 ILE 82 HG21 ILE 82 -4.545 0.045 -5.385 672 HG22 ILE 82 HG22 ILE 82 -3.913 -0.198 -3.756 673 HG23 ILE 82 HG23 ILE 82 -4.749 -1.514 -4.582 674 HD11 ILE 82 HD11 ILE 82 -2.634 -1.109 -2.526 675 HD12 ILE 82 HD12 ILE 82 -1.050 -0.635 -3.140 676 HD13 ILE 82 HD13 ILE 82 -1.260 -2.201 -2.355 677 H MET 83 H MET 83 -1.703 -0.243 -8.138 678 HA MET 83 HA MET 83 -3.674 1.632 -8.787 679 HB2 MET 83 HB2 MET 83 -1.108 0.900 -10.186 680 HB3 MET 83 HB3 MET 83 -2.124 2.240 -10.692 681 HG2 MET 83 HG2 MET 83 -0.985 1.994 -7.926 682 HG3 MET 83 HG3 MET 83 -0.162 2.827 -9.240 683 HE1 MET 83 HE1 MET 83 -2.904 3.006 -6.503 684 HE2 MET 83 HE2 MET 83 -3.924 2.686 -7.904 685 HE3 MET 83 HE3 MET 83 -3.996 4.255 -7.102 686 H ARG 84 H ARG 84 -2.830 -1.420 -10.303 687 HA ARG 84 HA ARG 84 -4.251 -0.938 -12.716 688 HB2 ARG 84 HB2 ARG 84 -3.391 -3.528 -11.421 689 HB3 ARG 84 HB3 ARG 84 -4.153 -3.431 -13.003 690 HG2 ARG 84 HG2 ARG 84 -2.147 -1.669 -13.342 691 HG3 ARG 84 HG3 ARG 84 -1.403 -2.771 -12.182 692 HD2 ARG 84 HD2 ARG 84 -0.924 -3.465 -14.467 693 HD3 ARG 84 HD3 ARG 84 -1.934 -4.660 -13.650 694 HE ARG 84 HE ARG 84 -3.835 -3.770 -14.891 695 HH11 ARG 84 HH11 ARG 84 -0.639 -2.937 -16.053 696 HH12 ARG 84 HH12 ARG 84 -1.178 -2.545 -17.660 697 HH21 ARG 84 HH21 ARG 84 -4.556 -3.277 -16.976 698 HH22 ARG 84 HH22 ARG 84 -3.426 -2.747 -18.192 699 H TYR 85 H TYR 85 -5.172 -2.172 -9.579 700 HA TYR 85 HA TYR 85 -7.771 -3.026 -10.403 701 HB2 TYR 85 HB2 TYR 85 -6.450 -2.587 -7.746 702 HB3 TYR 85 HB3 TYR 85 -8.194 -2.829 -7.827 703 HD1 TYR 85 HD2 TYR 85 -5.021 -4.369 -9.060 704 HD2 TYR 85 HD1 TYR 85 -9.017 -4.992 -7.744 705 HE1 TYR 85 HE2 TYR 85 -4.682 -6.801 -9.202 706 HE2 TYR 85 HE1 TYR 85 -8.693 -7.425 -7.889 707 HH TYR 85 HH TYR 85 -5.591 -8.852 -8.379 708 H ALA 86 H ALA 86 -6.377 -0.030 -9.288 709 HA ALA 86 HA ALA 86 -8.840 1.376 -9.037 710 HB1 ALA 86 HB1 ALA 86 -7.477 3.402 -9.124 711 HB2 ALA 86 HB2 ALA 86 -6.079 2.448 -9.620 712 HB3 ALA 86 HB3 ALA 86 -6.785 2.215 -8.019 713 H VAL 87 H VAL 87 -6.545 0.863 -11.685 714 HA VAL 87 HA VAL 87 -7.903 2.414 -13.628 715 HB VAL 87 HB VAL 87 -6.127 -0.005 -14.037 716 HG11 VAL 87 HG11 VAL 87 -7.497 0.479 -16.014 717 HG12 VAL 87 HG12 VAL 87 -5.793 0.834 -16.304 718 HG13 VAL 87 HG13 VAL 87 -6.927 2.148 -15.995 719 HG21 VAL 87 HG21 VAL 87 -5.467 2.937 -14.082 720 HG22 VAL 87 HG22 VAL 87 -4.352 1.627 -14.469 721 HG23 VAL 87 HG23 VAL 87 -4.993 1.787 -12.834 722 H GLN 88 H GLN 88 -8.184 -0.919 -12.575 723 HA GLN 88 HA GLN 88 -9.887 -1.994 -14.470 724 HB2 GLN 88 HB2 GLN 88 -8.773 -2.982 -12.308 725 HB3 GLN 88 HB3 GLN 88 -10.287 -2.540 -11.542 726 HG2 GLN 88 HG2 GLN 88 -10.079 -4.348 -13.938 727 HG3 GLN 88 HG3 GLN 88 -10.112 -4.913 -12.272 728 HE21 GLN 88 HE21 GLN 88 -12.022 -4.662 -11.060 729 HE22 GLN 88 HE22 GLN 88 -13.553 -4.444 -11.837 730 H ASN 89 H ASN 89 -10.640 0.025 -11.677 731 HA ASN 89 HA ASN 89 -13.481 0.012 -12.369 732 HB2 ASN 89 HB2 ASN 89 -11.959 1.035 -9.969 733 HB3 ASN 89 HB3 ASN 89 -13.673 1.353 -10.213 734 HD21 ASN 89 HD21 ASN 89 -11.275 -1.063 -9.509 735 HD22 ASN 89 HD22 ASN 89 -12.383 -2.294 -8.997 736 H ASP 90 H ASP 90 -10.953 1.585 -13.491 737 HA ASP 90 HA ASP 90 -10.476 3.608 -14.412 738 HB2 ASP 90 HB2 ASP 90 -12.566 2.869 -15.664 739 HB3 ASP 90 HB3 ASP 90 -13.466 3.970 -14.628 740 H TYR 91 H TYR 91 -10.475 3.612 -11.667 741 HA TYR 91 HA TYR 91 -12.047 5.852 -10.707 742 HB2 TYR 91 HB2 TYR 91 -11.616 3.665 -9.446 743 HB3 TYR 91 HB3 TYR 91 -9.999 4.288 -9.148 744 HD1 TYR 91 HD2 TYR 91 -13.394 5.853 -9.040 745 HD2 TYR 91 HD1 TYR 91 -9.809 4.940 -6.945 746 HE1 TYR 91 HE2 TYR 91 -14.245 7.054 -7.069 747 HE2 TYR 91 HE1 TYR 91 -10.654 6.133 -4.971 748 HH TYR 91 HH TYR 91 -12.235 7.776 -4.358 749 H ILE 92 H ILE 92 -8.892 5.265 -11.907 750 HA ILE 92 HA ILE 92 -8.037 7.918 -10.951 751 HB ILE 92 HB ILE 92 -5.699 7.168 -11.239 752 HG12 ILE 92 HG12 ILE 92 -6.927 4.432 -11.629 753 HG13 ILE 92 HG13 ILE 92 -6.107 5.368 -12.873 754 HG21 ILE 92 HG21 ILE 92 -7.357 5.514 -9.347 755 HG22 ILE 92 HG22 ILE 92 -6.715 7.129 -9.048 756 HG23 ILE 92 HG23 ILE 92 -5.615 5.763 -9.227 757 HD11 ILE 92 HD11 ILE 92 -4.667 3.629 -11.972 758 HD12 ILE 92 HD12 ILE 92 -4.846 4.309 -10.353 759 HD13 ILE 92 HD13 ILE 92 -4.029 5.234 -11.613 760 H ASP 93 H ASP 93 -6.764 9.188 -12.421 761 HA ASP 93 HA ASP 93 -7.499 8.659 -15.224 762 HB2 ASP 93 HB2 ASP 93 -6.835 11.240 -13.786 763 HB3 ASP 93 HB3 ASP 93 -7.069 11.127 -15.527 764 H SER 94 H SER 94 -4.861 9.311 -13.049 765 HA SER 94 HA SER 94 -2.967 9.084 -15.295 766 HB2 SER 94 HB2 SER 94 -2.522 10.246 -12.532 767 HB3 SER 94 HB3 SER 94 -1.325 10.179 -13.827 768 HG SER 94 HG SER 94 -3.507 11.305 -14.814 769 H ASN 95 H ASN 95 -0.937 7.887 -14.770 770 HA ASN 95 HA ASN 95 -1.533 5.648 -12.951 771 HB2 ASN 95 HB2 ASN 95 0.033 5.552 -15.541 772 HB3 ASN 95 HB3 ASN 95 -0.215 4.195 -14.446 773 HD21 ASN 95 HD21 ASN 95 -2.277 3.277 -14.281 774 HD22 ASN 95 HD22 ASN 95 -3.478 3.519 -15.499 775 HA PRO 96 HA PRO 96 2.382 7.409 -11.394 776 HB2 PRO 96 HB2 PRO 96 1.725 7.487 -8.803 777 HB3 PRO 96 HB3 PRO 96 1.146 8.721 -9.930 778 HG2 PRO 96 HG2 PRO 96 -0.296 6.367 -8.792 779 HG3 PRO 96 HG3 PRO 96 -0.895 8.005 -9.106 780 HD2 PRO 96 HD2 PRO 96 -1.295 5.804 -10.750 781 HD3 PRO 96 HD3 PRO 96 -1.442 7.500 -11.250 782 H ALA 97 H ALA 97 3.626 6.531 -9.311 783 HA ALA 97 HA ALA 97 4.785 4.831 -8.354 784 HB1 ALA 97 HB1 ALA 97 3.547 2.874 -7.608 785 HB2 ALA 97 HB2 ALA 97 2.209 3.294 -8.676 786 HB3 ALA 97 HB3 ALA 97 2.615 4.343 -7.319 787 H SER 98 H SER 98 4.614 5.104 -11.347 788 HA SER 98 HA SER 98 4.910 2.367 -12.273 789 HB2 SER 98 HB2 SER 98 3.655 4.001 -13.646 790 HB3 SER 98 HB3 SER 98 5.117 4.976 -13.804 791 HG SER 98 HG SER 98 6.079 3.044 -14.768 792 H ASP 99 H ASP 99 6.865 4.921 -11.148 793 HA ASP 99 HA ASP 99 9.250 3.499 -12.126 794 HB2 ASP 99 HB2 ASP 99 8.976 5.652 -13.298 795 HB3 ASP 99 HB3 ASP 99 8.986 6.488 -11.748 796 H MET 100 H MET 100 8.729 2.401 -10.005 797 HA MET 100 HA MET 100 9.996 3.875 -7.787 798 HB2 MET 100 HB2 MET 100 8.082 1.532 -7.686 799 HB3 MET 100 HB3 MET 100 8.828 2.293 -6.285 800 HG2 MET 100 HG2 MET 100 7.696 4.393 -6.838 801 HG3 MET 100 HG3 MET 100 6.929 3.605 -8.216 802 HE1 MET 100 HE1 MET 100 7.634 2.221 -4.594 803 HE2 MET 100 HE2 MET 100 6.091 2.548 -3.804 804 HE3 MET 100 HE3 MET 100 7.125 3.886 -4.312 805 H ALA 101 H ALA 101 10.965 2.066 -10.105 806 HA ALA 101 HA ALA 101 12.931 0.654 -8.479 807 HB1 ALA 101 HB1 ALA 101 11.420 -0.690 -10.721 808 HB2 ALA 101 HB2 ALA 101 11.193 -1.009 -9.002 809 HB3 ALA 101 HB3 ALA 101 12.731 -1.391 -9.772 810 H GLY 102 H GLY 102 14.805 1.482 -9.129 811 HA2 GLY 102 HA2 GLY 102 15.427 1.494 -11.978 812 HA3 GLY 102 HA3 GLY 102 15.495 3.045 -11.155 813 H ALA 103 H ALA 103 16.565 2.296 -8.712 814 HA ALA 103 HA ALA 103 19.135 1.061 -9.419 815 HB1 ALA 103 HB1 ALA 103 20.341 2.781 -8.193 816 HB2 ALA 103 HB2 ALA 103 18.829 3.621 -7.850 817 HB3 ALA 103 HB3 ALA 103 19.410 3.494 -9.510 818 H LEU 104 H LEU 104 19.257 -0.678 -8.221 819 HA LEU 104 HA LEU 104 18.782 -0.449 -5.333 820 HB2 LEU 104 HB2 LEU 104 16.874 -1.639 -6.324 821 HB3 LEU 104 HB3 LEU 104 17.969 -2.778 -7.083 822 HG LEU 104 HG LEU 104 18.699 -3.519 -4.819 823 HD11 LEU 104 HD11 LEU 104 18.112 -1.462 -3.610 824 HD12 LEU 104 HD12 LEU 104 17.396 -2.896 -2.875 825 HD13 LEU 104 HD13 LEU 104 16.402 -1.818 -3.856 826 HD21 LEU 104 HD21 LEU 104 15.748 -3.730 -5.409 827 HD22 LEU 104 HD22 LEU 104 16.655 -4.780 -4.319 828 HD23 LEU 104 HD23 LEU 104 17.022 -4.772 -6.044 829 H SER 105 H SER 105 19.824 -3.067 -7.499 830 HA SER 105 HA SER 105 22.552 -2.761 -6.506 831 HB2 SER 105 HB2 SER 105 22.660 -5.317 -6.438 832 HB3 SER 105 HB3 SER 105 21.781 -4.528 -5.131 833 HG SER 105 HG SER 105 20.527 -6.204 -5.877 834 H THR 106 H THR 106 20.963 -5.187 -8.534 835 HA THR 106 HA THR 106 22.260 -4.082 -10.909 836 HB THR 106 HB THR 106 22.549 -6.986 -10.150 837 HG1 THR 106 HG1 THR 106 24.532 -6.524 -9.427 838 HG21 THR 106 HG21 THR 106 23.750 -5.405 -12.421 839 HG22 THR 106 HG22 THR 106 22.449 -6.587 -12.561 840 HG23 THR 106 HG23 THR 106 24.060 -7.104 -12.066 841 H THR 107 H THR 107 20.792 -3.945 -12.408 842 HA THR 107 HA THR 107 19.119 -6.154 -13.146 843 HB THR 107 HB THR 107 17.633 -3.602 -12.565 844 HG1 THR 107 HG1 THR 107 18.462 -5.548 -10.745 845 HG21 THR 107 HG21 THR 107 16.595 -5.236 -14.054 846 HG22 THR 107 HG22 THR 107 15.690 -5.086 -12.547 847 HG23 THR 107 HG23 THR 107 16.744 -6.476 -12.810 848 H LYS 108 H LYS 108 18.256 -5.827 -15.274 849 HA LYS 108 HA LYS 108 19.008 -3.360 -16.602 850 HB2 LYS 108 HB2 LYS 108 20.854 -4.974 -16.922 851 HB3 LYS 108 HB3 LYS 108 19.715 -6.130 -17.592 852 HG2 LYS 108 HG2 LYS 108 20.117 -3.431 -18.822 853 HG3 LYS 108 HG3 LYS 108 21.161 -4.797 -19.209 854 HD2 LYS 108 HD2 LYS 108 18.176 -4.631 -19.588 855 HD3 LYS 108 HD3 LYS 108 19.401 -4.640 -20.839 856 HE2 LYS 108 HE2 LYS 108 20.102 -6.893 -19.989 857 HE3 LYS 108 HE3 LYS 108 18.656 -6.877 -18.987 858 HZ1 LYS 108 HZ1 LYS 108 18.014 -8.021 -20.883 859 HZ2 LYS 108 HZ2 LYS 108 18.869 -6.996 -21.928 860 HZ3 LYS 108 HZ3 LYS 108 17.441 -6.450 -21.191 861 H ALA 109 H ALA 109 17.333 -2.617 -17.611 862 HA ALA 109 HA ALA 109 15.617 -4.062 -19.320 863 HB1 ALA 109 HB1 ALA 109 13.526 -3.926 -18.012 864 HB2 ALA 109 HB2 ALA 109 14.449 -3.381 -16.611 865 HB3 ALA 109 HB3 ALA 109 14.701 -5.002 -17.259 866 H ARG 110 H ARG 110 17.190 -1.685 -19.223 867 HA ARG 110 HA ARG 110 15.735 0.609 -18.544 868 HB2 ARG 110 HB2 ARG 110 17.443 1.868 -19.651 869 HB3 ARG 110 HB3 ARG 110 18.201 0.523 -18.813 870 HG2 ARG 110 HG2 ARG 110 18.331 -0.701 -20.937 871 HG3 ARG 110 HG3 ARG 110 17.624 0.690 -21.764 872 HD2 ARG 110 HD2 ARG 110 19.503 2.071 -21.000 873 HD3 ARG 110 HD3 ARG 110 20.209 0.656 -20.229 874 HE ARG 110 HE ARG 110 19.992 1.153 -23.112 875 HH11 ARG 110 HH11 ARG 110 21.205 -0.826 -20.474 876 HH12 ARG 110 HH12 ARG 110 22.287 -1.735 -21.492 877 HH21 ARG 110 HH21 ARG 110 21.427 -0.023 -24.443 878 HH22 ARG 110 HH22 ARG 110 22.444 -1.252 -23.734 879 H HIS 111 H HIS 111 14.779 2.174 -19.799 880 HA HIS 111 HA HIS 111 13.320 1.060 -22.050 881 HB2 HIS 111 HB2 HIS 111 12.041 3.316 -21.856 882 HB3 HIS 111 HB3 HIS 111 11.781 2.069 -20.650 883 HD1 HIS 111 HD1 HIS 111 11.285 3.327 -18.569 884 HD2 HIS 111 HD2 HIS 111 14.579 4.888 -20.588 885 HE1 HIS 111 HE1 HIS 111 12.224 5.116 -17.072 886 HE2 HIS 111 HE2 HIS 111 14.305 5.924 -18.230 887 H TYR 112 H TYR 112 14.734 1.055 -23.714 888 HA TYR 112 HA TYR 112 15.583 3.694 -24.688 889 HB2 TYR 112 HB2 TYR 112 17.474 2.201 -24.430 890 HB3 TYR 112 HB3 TYR 112 16.656 0.939 -25.346 891 HD1 TYR 112 HD1 TYR 112 17.897 4.445 -25.699 892 HD2 TYR 112 HD2 TYR 112 17.075 0.738 -27.624 893 HE1 TYR 112 HE1 TYR 112 18.905 5.302 -27.773 894 HE2 TYR 112 HE2 TYR 112 18.076 1.589 -29.699 895 HH TYR 112 HH TYR 112 18.541 3.733 -30.770 896 HA PRO 113 HA PRO 113 12.307 2.742 -27.642 897 HB2 PRO 113 HB2 PRO 113 11.514 5.258 -28.060 898 HB3 PRO 113 HB3 PRO 113 11.101 4.411 -26.562 899 HG2 PRO 113 HG2 PRO 113 13.221 6.455 -27.061 900 HG3 PRO 113 HG3 PRO 113 12.158 6.260 -25.656 901 HD2 PRO 113 HD2 PRO 113 14.786 5.375 -25.802 902 HD3 PRO 113 HD3 PRO 113 13.565 4.771 -24.669 903 H LEU 114 H LEU 114 11.956 3.387 -29.857 904 HA LEU 114 HA LEU 114 13.752 5.066 -31.266 905 HB2 LEU 114 HB2 LEU 114 15.189 3.035 -30.859 906 HB3 LEU 114 HB3 LEU 114 14.054 2.110 -31.824 907 HG LEU 114 HG LEU 114 14.577 3.491 -33.784 908 HD11 LEU 114 HD11 LEU 114 15.120 5.581 -32.663 909 HD12 LEU 114 HD12 LEU 114 16.451 5.073 -33.704 910 HD13 LEU 114 HD13 LEU 114 16.562 4.845 -31.959 911 HD21 LEU 114 HD21 LEU 114 17.018 2.365 -32.415 912 HD22 LEU 114 HD22 LEU 114 16.858 2.687 -34.141 913 HD23 LEU 114 HD23 LEU 114 15.856 1.451 -33.379 914 H GLU 115 H GLU 115 11.282 5.431 -31.259 915 HA GLU 115 HA GLU 115 9.331 5.606 -32.367 916 HB2 GLU 115 HB2 GLU 115 11.265 5.190 -34.625 917 HB3 GLU 115 HB3 GLU 115 9.556 5.470 -34.922 918 HG2 GLU 115 HG2 GLU 115 10.850 7.525 -35.106 919 HG3 GLU 115 HG3 GLU 115 9.682 7.614 -33.789 920 H HIS 116 H HIS 116 10.147 3.439 -34.939 921 HA HIS 116 HA HIS 116 7.918 1.765 -34.190 922 HB2 HIS 116 HB2 HIS 116 8.344 2.438 -36.566 923 HB3 HIS 116 HB3 HIS 116 9.791 1.436 -36.545 924 HD1 HIS 116 HD1 HIS 116 6.037 1.208 -36.543 925 HD2 HIS 116 HD2 HIS 116 9.350 -1.300 -36.823 926 HE1 HIS 116 HE1 HIS 116 5.139 -1.035 -37.251 927 HE2 HIS 116 HE2 HIS 116 7.170 -2.502 -37.533 928 H HIS 117 H HIS 117 9.176 1.256 -32.174 929 HA HIS 117 HA HIS 117 10.237 -1.424 -32.497 930 HB2 HIS 117 HB2 HIS 117 11.829 0.843 -31.325 931 HB3 HIS 117 HB3 HIS 117 12.074 -0.805 -30.758 932 HD1 HIS 117 HD1 HIS 117 12.849 1.485 -33.568 933 HD2 HIS 117 HD2 HIS 117 13.142 -2.577 -32.717 934 HE1 HIS 117 HE1 HIS 117 14.397 0.533 -35.311 935 HE2 HIS 117 HE2 HIS 117 14.504 -1.941 -34.822 936 H HIS 118 H HIS 118 8.337 -2.089 -31.527 937 HA HIS 118 HA HIS 118 8.178 -1.515 -28.638 938 HB2 HIS 118 HB2 HIS 118 5.855 -1.850 -30.555 939 HB3 HIS 118 HB3 HIS 118 5.703 -1.774 -28.805 940 HD1 HIS 118 HD1 HIS 118 5.561 0.508 -27.758 941 HD2 HIS 118 HD2 HIS 118 6.688 0.634 -31.764 942 HE1 HIS 118 HE1 HIS 118 5.507 2.945 -28.412 943 HE2 HIS 118 HE2 HIS 118 6.000 2.960 -30.885 944 H HIS 119 H HIS 119 8.862 -3.345 -27.697 945 HA HIS 119 HA HIS 119 8.057 -5.894 -28.904 946 HB2 HIS 119 HB2 HIS 119 10.276 -5.182 -26.997 947 HB3 HIS 119 HB3 HIS 119 9.787 -6.850 -27.283 948 HD1 HIS 119 HD1 HIS 119 10.286 -7.856 -29.610 949 HD2 HIS 119 HD2 HIS 119 11.744 -4.001 -29.056 950 HE1 HIS 119 HE1 HIS 119 11.903 -7.463 -31.501 951 HE2 HIS 119 HE2 HIS 119 12.752 -5.108 -31.170 952 H HIS 120 H HIS 120 6.258 -6.695 -28.139 953 HA HIS 120 HA HIS 120 5.514 -6.369 -25.348 954 HB2 HIS 120 HB2 HIS 120 3.762 -6.260 -27.057 955 HB3 HIS 120 HB3 HIS 120 4.193 -7.863 -27.633 956 HD1 HIS 120 HD1 HIS 120 2.636 -6.145 -24.650 957 HD2 HIS 120 HD2 HIS 120 2.950 -9.938 -26.335 958 HE1 HIS 120 HE1 HIS 120 1.058 -7.606 -23.336 959 HE2 HIS 120 HE2 HIS 120 1.258 -9.895 -24.378 960 H HIS 121 H HIS 121 5.502 -8.019 -23.829 961 HA HIS 121 HA HIS 121 6.535 -10.626 -24.678 962 HB2 HIS 121 HB2 HIS 121 8.117 -10.731 -22.847 963 HB3 HIS 121 HB3 HIS 121 8.456 -9.304 -23.817 964 HD1 HIS 121 HD1 HIS 121 7.392 -10.386 -20.426 965 HD2 HIS 121 HD2 HIS 121 7.948 -6.834 -22.516 966 HE1 HIS 121 HE1 HIS 121 7.353 -8.569 -18.691 967 HE2 HIS 121 HE2 HIS 121 7.883 -6.454 -19.951 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -19.490 -10.172 3.158 2 H2 MET 1 H2 MET 1 -20.585 -10.289 4.447 3 H3 MET 1 H3 MET 1 -19.821 -11.681 3.861 4 HA MET 1 HA MET 1 -18.813 -11.023 5.910 5 HB2 MET 1 HB2 MET 1 -17.170 -10.570 3.423 6 HB3 MET 1 HB3 MET 1 -16.455 -10.530 5.028 7 HG2 MET 1 HG2 MET 1 -17.950 -12.868 3.867 8 HG3 MET 1 HG3 MET 1 -16.197 -12.701 3.908 9 HE1 MET 1 HE1 MET 1 -16.818 -15.477 6.583 10 HE2 MET 1 HE2 MET 1 -15.924 -15.025 5.131 11 HE3 MET 1 HE3 MET 1 -17.673 -15.244 5.059 12 H GLU 2 H GLU 2 -19.869 -9.258 6.815 13 HA GLU 2 HA GLU 2 -20.156 -7.151 7.573 14 HB2 GLU 2 HB2 GLU 2 -17.913 -7.729 8.480 15 HB3 GLU 2 HB3 GLU 2 -17.181 -6.934 7.094 16 HG2 GLU 2 HG2 GLU 2 -17.141 -5.478 9.021 17 HG3 GLU 2 HG3 GLU 2 -18.201 -4.815 7.777 18 H ASN 3 H ASN 3 -17.499 -5.844 5.804 19 HA ASN 3 HA ASN 3 -18.828 -4.789 3.568 20 HB2 ASN 3 HB2 ASN 3 -20.199 -3.532 5.107 21 HB3 ASN 3 HB3 ASN 3 -18.790 -3.033 6.038 22 HD21 ASN 3 HD21 ASN 3 -20.715 -2.465 3.219 23 HD22 ASN 3 HD22 ASN 3 -19.931 -0.993 2.743 24 H SER 4 H SER 4 -17.102 -4.670 2.306 25 HA SER 4 HA SER 4 -14.470 -4.424 3.320 26 HB2 SER 4 HB2 SER 4 -15.350 -4.044 0.456 27 HB3 SER 4 HB3 SER 4 -13.765 -4.564 1.032 28 HG SER 4 HG SER 4 -16.223 -5.971 1.075 29 H GLY 5 H GLY 5 -16.624 -2.160 1.640 30 HA2 GLY 5 HA2 GLY 5 -16.153 0.144 2.850 31 HA3 GLY 5 HA3 GLY 5 -14.671 -0.011 1.915 32 H ALA 6 H ALA 6 -15.539 2.067 1.025 33 HA ALA 6 HA ALA 6 -17.614 1.679 -0.998 34 HB1 ALA 6 HB1 ALA 6 -16.110 4.182 -0.234 35 HB2 ALA 6 HB2 ALA 6 -17.702 3.712 0.364 36 HB3 ALA 6 HB3 ALA 6 -17.477 4.087 -1.345 37 H TYR 7 H TYR 7 -14.753 3.698 -1.326 38 HA TYR 7 HA TYR 7 -13.634 1.840 -3.285 39 HB2 TYR 7 HB2 TYR 7 -13.041 3.712 -4.795 40 HB3 TYR 7 HB3 TYR 7 -14.776 3.489 -4.648 41 HD1 TYR 7 HD2 TYR 7 -16.099 5.117 -3.248 42 HD2 TYR 7 HD1 TYR 7 -12.014 5.768 -4.249 43 HE1 TYR 7 HE2 TYR 7 -16.362 7.511 -2.752 44 HE2 TYR 7 HE1 TYR 7 -12.268 8.164 -3.759 45 HH TYR 7 HH TYR 7 -14.135 9.838 -3.723 46 H THR 8 H THR 8 -13.227 2.622 -0.519 47 HA THR 8 HA THR 8 -10.932 4.164 -0.106 48 HB THR 8 HB THR 8 -11.542 1.809 1.630 49 HG1 THR 8 HG1 THR 8 -13.212 4.128 1.435 50 HG21 THR 8 HG21 THR 8 -11.206 3.450 3.414 51 HG22 THR 8 HG22 THR 8 -11.054 4.737 2.218 52 HG23 THR 8 HG23 THR 8 -9.839 3.462 2.301 53 H PHE 9 H PHE 9 -8.823 3.358 0.615 54 HA PHE 9 HA PHE 9 -7.449 1.933 -1.266 55 HB2 PHE 9 HB2 PHE 9 -6.512 3.375 0.569 56 HB3 PHE 9 HB3 PHE 9 -6.708 2.010 1.660 57 HD1 PHE 9 HD1 PHE 9 -4.816 3.371 -1.150 58 HD2 PHE 9 HD2 PHE 9 -5.255 0.083 1.514 59 HE1 PHE 9 HE1 PHE 9 -2.601 2.547 -1.815 60 HE2 PHE 9 HE2 PHE 9 -3.033 -0.750 0.852 61 HZ PHE 9 HZ PHE 9 -1.704 0.488 -0.815 62 H GLU 10 H GLU 10 -8.753 0.597 1.784 63 HA GLU 10 HA GLU 10 -7.540 -1.939 1.394 64 HB2 GLU 10 HB2 GLU 10 -8.550 -0.758 3.561 65 HB3 GLU 10 HB3 GLU 10 -9.955 -1.715 3.123 66 HG2 GLU 10 HG2 GLU 10 -7.199 -2.851 3.559 67 HG3 GLU 10 HG3 GLU 10 -8.452 -2.781 4.790 68 H THR 11 H THR 11 -10.754 -0.660 0.574 69 HA THR 11 HA THR 11 -11.862 -3.239 0.098 70 HB THR 11 HB THR 11 -13.267 -1.245 0.622 71 HG1 THR 11 HG1 THR 11 -14.157 -2.236 -1.859 72 HG21 THR 11 HG21 THR 11 -13.913 0.253 -1.213 73 HG22 THR 11 HG22 THR 11 -12.707 -0.505 -2.253 74 HG23 THR 11 HG23 THR 11 -12.198 0.401 -0.829 75 H ILE 12 H ILE 12 -10.177 -0.912 -1.937 76 HA ILE 12 HA ILE 12 -10.624 -2.424 -4.343 77 HB ILE 12 HB ILE 12 -8.528 -0.321 -3.752 78 HG12 ILE 12 HG12 ILE 12 -11.194 -0.153 -5.179 79 HG13 ILE 12 HG13 ILE 12 -10.823 0.535 -3.604 80 HG21 ILE 12 HG21 ILE 12 -8.299 -0.171 -6.205 81 HG22 ILE 12 HG22 ILE 12 -9.380 -1.554 -6.373 82 HG23 ILE 12 HG23 ILE 12 -7.817 -1.749 -5.580 83 HD11 ILE 12 HD11 ILE 12 -10.828 2.229 -5.340 84 HD12 ILE 12 HD12 ILE 12 -9.574 1.350 -6.216 85 HD13 ILE 12 HD13 ILE 12 -9.222 2.049 -4.636 86 H ALA 13 H ALA 13 -8.097 -2.206 -1.891 87 HA ALA 13 HA ALA 13 -6.309 -4.051 -3.051 88 HB1 ALA 13 HB1 ALA 13 -5.347 -4.252 -0.822 89 HB2 ALA 13 HB2 ALA 13 -6.769 -3.476 -0.123 90 HB3 ALA 13 HB3 ALA 13 -5.702 -2.564 -1.189 91 H ARG 14 H ARG 14 -9.238 -4.400 -1.228 92 HA ARG 14 HA ARG 14 -9.146 -6.989 -0.306 93 HB2 ARG 14 HB2 ARG 14 -11.184 -5.030 -0.888 94 HB3 ARG 14 HB3 ARG 14 -11.754 -6.646 -1.271 95 HG2 ARG 14 HG2 ARG 14 -10.665 -5.713 1.372 96 HG3 ARG 14 HG3 ARG 14 -12.355 -6.047 0.986 97 HD2 ARG 14 HD2 ARG 14 -11.663 -8.399 0.449 98 HD3 ARG 14 HD3 ARG 14 -10.070 -8.005 1.093 99 HE ARG 14 HE ARG 14 -12.532 -8.378 2.597 100 HH11 ARG 14 HH11 ARG 14 -9.264 -7.145 2.631 101 HH12 ARG 14 HH12 ARG 14 -9.039 -7.407 4.322 102 HH21 ARG 14 HH21 ARG 14 -12.263 -8.738 4.822 103 HH22 ARG 14 HH22 ARG 14 -10.752 -8.329 5.577 104 H GLU 15 H GLU 15 -9.628 -5.876 -3.577 105 HA GLU 15 HA GLU 15 -10.850 -8.120 -4.679 106 HB2 GLU 15 HB2 GLU 15 -10.559 -5.877 -5.760 107 HB3 GLU 15 HB3 GLU 15 -8.884 -6.298 -6.075 108 HG2 GLU 15 HG2 GLU 15 -10.779 -8.309 -6.996 109 HG3 GLU 15 HG3 GLU 15 -11.006 -6.734 -7.739 110 H TRP 16 H TRP 16 -7.370 -7.308 -4.735 111 HA TRP 16 HA TRP 16 -6.690 -10.023 -5.403 112 HB2 TRP 16 HB2 TRP 16 -4.328 -9.258 -5.180 113 HB3 TRP 16 HB3 TRP 16 -5.277 -8.274 -6.288 114 HD1 TRP 16 HD1 TRP 16 -5.682 -5.743 -5.641 115 HE1 TRP 16 HE1 TRP 16 -4.642 -4.213 -3.858 116 HE3 TRP 16 HE3 TRP 16 -3.371 -9.288 -2.776 117 HZ2 TRP 16 HZ2 TRP 16 -3.058 -4.477 -1.531 118 HZ3 TRP 16 HZ3 TRP 16 -2.119 -8.567 -0.790 119 HH2 TRP 16 HH2 TRP 16 -1.974 -6.212 -0.184 120 H HIS 17 H HIS 17 -6.797 -8.061 -2.494 121 HA HIS 17 HA HIS 17 -5.319 -9.492 -0.689 122 HB2 HIS 17 HB2 HIS 17 -7.317 -7.494 -0.561 123 HB3 HIS 17 HB3 HIS 17 -7.765 -8.737 0.601 124 HD1 HIS 17 HD1 HIS 17 -6.946 -5.984 1.642 125 HD2 HIS 17 HD2 HIS 17 -4.274 -9.140 1.076 126 HE1 HIS 17 HE1 HIS 17 -4.982 -5.498 3.132 127 HE2 HIS 17 HE2 HIS 17 -3.477 -7.506 2.922 128 H GLU 18 H GLU 18 -8.407 -10.436 -2.035 129 HA GLU 18 HA GLU 18 -9.129 -12.328 -0.066 130 HB2 GLU 18 HB2 GLU 18 -10.653 -13.236 -1.745 131 HB3 GLU 18 HB3 GLU 18 -10.727 -11.479 -1.711 132 HG2 GLU 18 HG2 GLU 18 -9.422 -11.318 -3.703 133 HG3 GLU 18 HG3 GLU 18 -9.097 -13.050 -3.685 134 H SER 19 H SER 19 -6.757 -12.412 -2.555 135 HA SER 19 HA SER 19 -6.619 -15.283 -2.747 136 HB2 SER 19 HB2 SER 19 -5.963 -13.777 -4.623 137 HB3 SER 19 HB3 SER 19 -4.613 -13.197 -3.652 138 HG SER 19 HG SER 19 -4.560 -15.873 -3.704 139 H ASN 20 H ASN 20 -5.392 -12.853 -0.673 140 HA ASN 20 HA ASN 20 -3.153 -14.372 0.323 141 HB2 ASN 20 HB2 ASN 20 -4.527 -11.919 1.446 142 HB3 ASN 20 HB3 ASN 20 -3.032 -12.609 2.066 143 HD21 ASN 20 HD21 ASN 20 -1.147 -12.464 0.803 144 HD22 ASN 20 HD22 ASN 20 -1.005 -11.291 -0.462 145 H LYS 21 H LYS 21 -3.136 -14.603 2.863 146 HA LYS 21 HA LYS 21 -5.208 -16.454 3.482 147 HB2 LYS 21 HB2 LYS 21 -2.846 -15.399 4.990 148 HB3 LYS 21 HB3 LYS 21 -4.057 -16.387 5.800 149 HG2 LYS 21 HG2 LYS 21 -2.440 -17.180 3.387 150 HG3 LYS 21 HG3 LYS 21 -2.221 -17.766 5.038 151 HD2 LYS 21 HD2 LYS 21 -4.392 -18.801 5.015 152 HD3 LYS 21 HD3 LYS 21 -4.755 -18.097 3.441 153 HE2 LYS 21 HE2 LYS 21 -2.958 -19.418 2.436 154 HE3 LYS 21 HE3 LYS 21 -2.592 -20.117 4.012 155 HZ1 LYS 21 HZ1 LYS 21 -4.001 -21.548 2.584 156 HZ2 LYS 21 HZ2 LYS 21 -5.223 -20.371 2.659 157 HZ3 LYS 21 HZ3 LYS 21 -4.724 -21.158 4.069 158 H ARG 22 H ARG 22 -7.150 -15.652 3.665 159 HA ARG 22 HA ARG 22 -7.669 -13.772 5.849 160 HB2 ARG 22 HB2 ARG 22 -7.629 -12.510 3.694 161 HB3 ARG 22 HB3 ARG 22 -8.907 -13.549 3.090 162 HG2 ARG 22 HG2 ARG 22 -9.339 -11.997 5.604 163 HG3 ARG 22 HG3 ARG 22 -9.456 -11.192 4.040 164 HD2 ARG 22 HD2 ARG 22 -11.087 -13.519 5.039 165 HD3 ARG 22 HD3 ARG 22 -11.653 -11.890 4.666 166 HE ARG 22 HE ARG 22 -10.636 -13.765 2.625 167 HH11 ARG 22 HH11 ARG 22 -12.943 -11.348 3.701 168 HH12 ARG 22 HH12 ARG 22 -13.794 -11.318 2.177 169 HH21 ARG 22 HH21 ARG 22 -11.743 -13.730 0.646 170 HH22 ARG 22 HH22 ARG 22 -13.097 -12.655 0.428 171 H TRP 23 H TRP 23 -8.548 -15.261 7.145 172 HA TRP 23 HA TRP 23 -10.738 -16.920 6.118 173 HB2 TRP 23 HB2 TRP 23 -10.365 -18.264 8.206 174 HB3 TRP 23 HB3 TRP 23 -8.988 -18.234 7.113 175 HD1 TRP 23 HD1 TRP 23 -10.075 -17.136 10.588 176 HE1 TRP 23 HE1 TRP 23 -8.006 -16.323 11.896 177 HE3 TRP 23 HE3 TRP 23 -6.658 -17.130 6.777 178 HZ2 TRP 23 HZ2 TRP 23 -5.298 -15.755 11.370 179 HZ3 TRP 23 HZ3 TRP 23 -4.348 -16.440 7.271 180 HH2 TRP 23 HH2 TRP 23 -3.687 -15.768 9.519 181 H SER 24 H SER 24 -10.304 -14.061 7.600 182 HA SER 24 HA SER 24 -12.961 -13.946 8.630 183 HB2 SER 24 HB2 SER 24 -11.849 -15.062 10.527 184 HB3 SER 24 HB3 SER 24 -10.660 -13.763 10.598 185 HG SER 24 HG SER 24 -12.259 -13.384 12.128 186 H GLU 25 H GLU 25 -13.687 -11.871 8.695 187 HA GLU 25 HA GLU 25 -12.116 -9.819 7.524 188 HB2 GLU 25 HB2 GLU 25 -14.773 -9.656 8.958 189 HB3 GLU 25 HB3 GLU 25 -14.053 -8.353 8.025 190 HG2 GLU 25 HG2 GLU 25 -14.919 -11.034 6.970 191 HG3 GLU 25 HG3 GLU 25 -15.740 -9.492 6.724 192 H ASP 26 H ASP 26 -12.770 -10.799 10.779 193 HA ASP 26 HA ASP 26 -12.132 -8.470 12.192 194 HB2 ASP 26 HB2 ASP 26 -13.130 -10.388 13.293 195 HB3 ASP 26 HB3 ASP 26 -11.724 -11.379 12.926 196 H HIS 27 H HIS 27 -10.112 -10.917 10.735 197 HA HIS 27 HA HIS 27 -7.717 -10.330 12.082 198 HB2 HIS 27 HB2 HIS 27 -8.225 -12.414 10.749 199 HB3 HIS 27 HB3 HIS 27 -7.950 -11.467 9.293 200 HD1 HIS 27 HD1 HIS 27 -6.171 -13.018 12.196 201 HD2 HIS 27 HD2 HIS 27 -5.255 -10.913 8.724 202 HE1 HIS 27 HE1 HIS 27 -3.676 -13.217 11.917 203 HE2 HIS 27 HE2 HIS 27 -3.163 -12.070 9.725 204 H ARG 28 H ARG 28 -9.289 -8.781 9.362 205 HA ARG 28 HA ARG 28 -6.909 -7.521 8.383 206 HB2 ARG 28 HB2 ARG 28 -8.232 -6.377 6.831 207 HB3 ARG 28 HB3 ARG 28 -9.079 -7.898 7.054 208 HG2 ARG 28 HG2 ARG 28 -10.756 -6.879 8.373 209 HG3 ARG 28 HG3 ARG 28 -9.822 -5.389 8.528 210 HD2 ARG 28 HD2 ARG 28 -10.082 -4.954 6.153 211 HD3 ARG 28 HD3 ARG 28 -10.940 -6.480 5.947 212 HE ARG 28 HE ARG 28 -12.385 -5.148 7.837 213 HH11 ARG 28 HH11 ARG 28 -11.299 -4.343 4.583 214 HH12 ARG 28 HH12 ARG 28 -12.698 -3.365 4.242 215 HH21 ARG 28 HH21 ARG 28 -14.217 -3.876 7.358 216 HH22 ARG 28 HH22 ARG 28 -14.367 -3.126 5.802 217 H SER 29 H SER 29 -9.188 -6.832 10.886 218 HA SER 29 HA SER 29 -8.580 -4.057 11.139 219 HB2 SER 29 HB2 SER 29 -9.687 -5.930 13.245 220 HB3 SER 29 HB3 SER 29 -9.840 -4.172 13.201 221 HG SER 29 HG SER 29 -11.711 -5.377 12.423 222 H ARG 30 H ARG 30 -7.263 -7.025 12.419 223 HA ARG 30 HA ARG 30 -5.611 -5.792 14.396 224 HB2 ARG 30 HB2 ARG 30 -5.521 -8.549 13.155 225 HB3 ARG 30 HB3 ARG 30 -4.522 -8.035 14.509 226 HG2 ARG 30 HG2 ARG 30 -7.529 -8.207 14.473 227 HG3 ARG 30 HG3 ARG 30 -6.415 -9.291 15.316 228 HD2 ARG 30 HD2 ARG 30 -5.623 -7.422 16.667 229 HD3 ARG 30 HD3 ARG 30 -6.724 -6.339 15.824 230 HE ARG 30 HE ARG 30 -8.363 -8.268 16.823 231 HH11 ARG 30 HH11 ARG 30 -5.937 -6.185 18.245 232 HH12 ARG 30 HH12 ARG 30 -6.751 -6.050 19.770 233 HH21 ARG 30 HH21 ARG 30 -9.444 -8.107 18.812 234 HH22 ARG 30 HH22 ARG 30 -8.766 -7.131 20.094 235 H VAL 31 H VAL 31 -5.148 -6.919 11.103 236 HA VAL 31 HA VAL 31 -2.351 -6.191 11.105 237 HB VAL 31 HB VAL 31 -2.311 -6.858 8.759 238 HG11 VAL 31 HG11 VAL 31 -2.023 -8.585 10.422 239 HG12 VAL 31 HG12 VAL 31 -2.930 -9.229 9.054 240 HG13 VAL 31 HG13 VAL 31 -3.767 -8.802 10.545 241 HG21 VAL 31 HG21 VAL 31 -4.510 -6.056 8.084 242 HG22 VAL 31 HG22 VAL 31 -5.277 -7.310 9.059 243 HG23 VAL 31 HG23 VAL 31 -4.299 -7.755 7.661 244 H LEU 32 H LEU 32 -5.283 -4.581 10.588 245 HA LEU 32 HA LEU 32 -4.754 -2.742 8.596 246 HB2 LEU 32 HB2 LEU 32 -6.899 -3.082 9.894 247 HB3 LEU 32 HB3 LEU 32 -6.194 -2.119 11.175 248 HG LEU 32 HG LEU 32 -6.498 -1.012 8.390 249 HD11 LEU 32 HD11 LEU 32 -8.638 -0.058 9.085 250 HD12 LEU 32 HD12 LEU 32 -8.542 -0.943 10.607 251 HD13 LEU 32 HD13 LEU 32 -8.694 -1.820 9.085 252 HD21 LEU 32 HD21 LEU 32 -6.515 1.127 9.551 253 HD22 LEU 32 HD22 LEU 32 -5.070 0.212 9.981 254 HD23 LEU 32 HD23 LEU 32 -6.421 0.303 11.109 255 H ARG 33 H ARG 33 -4.053 -2.430 12.078 256 HA ARG 33 HA ARG 33 -2.769 0.063 11.860 257 HB2 ARG 33 HB2 ARG 33 -1.867 -0.363 14.088 258 HB3 ARG 33 HB3 ARG 33 -3.571 -0.782 14.007 259 HG2 ARG 33 HG2 ARG 33 -3.163 -3.047 14.172 260 HG3 ARG 33 HG3 ARG 33 -1.502 -2.891 13.595 261 HD2 ARG 33 HD2 ARG 33 -2.527 -1.901 16.255 262 HD3 ARG 33 HD3 ARG 33 -1.612 -3.388 16.001 263 HE ARG 33 HE ARG 33 -0.563 -0.666 15.553 264 HH11 ARG 33 HH11 ARG 33 -0.087 -4.060 16.286 265 HH12 ARG 33 HH12 ARG 33 1.614 -3.875 16.579 266 HH21 ARG 33 HH21 ARG 33 1.658 -0.432 15.937 267 HH22 ARG 33 HH22 ARG 33 2.611 -1.827 16.364 268 H TYR 34 H TYR 34 -1.656 -3.189 11.325 269 HA TYR 34 HA TYR 34 1.131 -2.621 11.443 270 HB2 TYR 34 HB2 TYR 34 0.284 -4.908 11.711 271 HB3 TYR 34 HB3 TYR 34 -0.339 -4.886 10.065 272 HD1 TYR 34 HD1 TYR 34 2.697 -5.050 12.132 273 HD2 TYR 34 HD2 TYR 34 1.133 -5.199 8.180 274 HE1 TYR 34 HE1 TYR 34 4.844 -5.938 11.323 275 HE2 TYR 34 HE2 TYR 34 3.273 -6.085 7.358 276 HH TYR 34 HH TYR 34 5.647 -6.083 8.032 277 H LEU 35 H LEU 35 -1.197 -2.917 8.757 278 HA LEU 35 HA LEU 35 0.780 -2.386 6.777 279 HB2 LEU 35 HB2 LEU 35 -1.160 -2.126 5.232 280 HB3 LEU 35 HB3 LEU 35 -1.103 -3.645 6.095 281 HG LEU 35 HG LEU 35 -2.775 -2.432 7.731 282 HD11 LEU 35 HD11 LEU 35 -2.636 -0.245 6.657 283 HD12 LEU 35 HD12 LEU 35 -4.271 -0.899 6.565 284 HD13 LEU 35 HD13 LEU 35 -3.223 -0.942 5.146 285 HD21 LEU 35 HD21 LEU 35 -3.252 -4.445 6.454 286 HD22 LEU 35 HD22 LEU 35 -3.561 -3.476 5.014 287 HD23 LEU 35 HD23 LEU 35 -4.627 -3.341 6.414 288 H GLU 36 H GLU 36 -1.342 -0.384 8.669 289 HA GLU 36 HA GLU 36 -0.959 1.970 7.103 290 HB2 GLU 36 HB2 GLU 36 -2.931 1.707 8.521 291 HB3 GLU 36 HB3 GLU 36 -1.914 1.656 9.954 292 HG2 GLU 36 HG2 GLU 36 -1.233 3.939 9.605 293 HG3 GLU 36 HG3 GLU 36 -2.120 4.005 8.084 294 H LEU 37 H LEU 37 0.804 0.449 9.707 295 HA LEU 37 HA LEU 37 2.339 2.902 10.150 296 HB2 LEU 37 HB2 LEU 37 1.410 1.692 12.091 297 HB3 LEU 37 HB3 LEU 37 2.397 0.304 11.677 298 HG LEU 37 HG LEU 37 4.431 1.701 12.019 299 HD11 LEU 37 HD11 LEU 37 4.222 3.827 13.187 300 HD12 LEU 37 HD12 LEU 37 2.465 3.720 13.089 301 HD13 LEU 37 HD13 LEU 37 3.422 3.888 11.617 302 HD21 LEU 37 HD21 LEU 37 4.295 1.723 14.465 303 HD22 LEU 37 HD22 LEU 37 3.632 0.239 13.782 304 HD23 LEU 37 HD23 LEU 37 2.547 1.502 14.363 305 H TYR 38 H TYR 38 2.686 -0.270 8.739 306 HA TYR 38 HA TYR 38 5.595 0.142 8.610 307 HB2 TYR 38 HB2 TYR 38 3.962 -2.385 8.452 308 HB3 TYR 38 HB3 TYR 38 5.689 -2.323 8.116 309 HD1 TYR 38 HD2 TYR 38 3.124 -1.999 10.739 310 HD2 TYR 38 HD1 TYR 38 7.294 -2.083 9.896 311 HE1 TYR 38 HE2 TYR 38 3.600 -2.237 13.138 312 HE2 TYR 38 HE1 TYR 38 7.778 -2.325 12.293 313 HH TYR 38 HH TYR 38 6.593 -1.706 14.467 314 H ILE 39 H ILE 39 2.765 -0.498 6.611 315 HA ILE 39 HA ILE 39 4.405 -0.859 4.243 316 HB ILE 39 HB ILE 39 1.393 -0.665 4.422 317 HG12 ILE 39 HG12 ILE 39 2.222 -2.560 5.738 318 HG13 ILE 39 HG13 ILE 39 1.414 -3.129 4.282 319 HG21 ILE 39 HG21 ILE 39 3.183 -1.704 2.227 320 HG22 ILE 39 HG22 ILE 39 2.271 -0.196 2.194 321 HG23 ILE 39 HG23 ILE 39 1.419 -1.739 2.221 322 HD11 ILE 39 HD11 ILE 39 3.591 -3.483 3.224 323 HD12 ILE 39 HD12 ILE 39 3.420 -4.407 4.717 324 HD13 ILE 39 HD13 ILE 39 4.387 -2.931 4.698 325 H PHE 40 H PHE 40 1.785 1.398 5.173 326 HA PHE 40 HA PHE 40 3.293 3.489 3.778 327 HB2 PHE 40 HB2 PHE 40 1.024 4.477 3.097 328 HB3 PHE 40 HB3 PHE 40 1.628 3.103 2.186 329 HD1 PHE 40 HD1 PHE 40 0.641 0.843 2.595 330 HD2 PHE 40 HD2 PHE 40 -1.053 4.390 4.224 331 HE1 PHE 40 HE1 PHE 40 -1.489 -0.337 2.936 332 HE2 PHE 40 HE2 PHE 40 -3.186 3.214 4.573 333 HZ PHE 40 HZ PHE 40 -3.408 0.842 3.924 334 HA PRO 41 HA PRO 41 2.250 4.623 8.102 335 HB2 PRO 41 HB2 PRO 41 4.699 5.553 8.795 336 HB3 PRO 41 HB3 PRO 41 4.268 3.842 8.841 337 HG2 PRO 41 HG2 PRO 41 5.851 5.347 6.814 338 HG3 PRO 41 HG3 PRO 41 6.084 3.700 7.425 339 HD2 PRO 41 HD2 PRO 41 4.904 4.323 5.016 340 HD3 PRO 41 HD3 PRO 41 4.631 2.813 5.905 341 H HIS 42 H HIS 42 4.553 6.695 6.281 342 HA HIS 42 HA HIS 42 3.300 9.019 7.487 343 HB2 HIS 42 HB2 HIS 42 5.835 8.684 7.150 344 HB3 HIS 42 HB3 HIS 42 5.527 9.118 5.471 345 HD1 HIS 42 HD1 HIS 42 6.759 11.360 5.542 346 HD2 HIS 42 HD2 HIS 42 3.778 11.000 8.429 347 HE1 HIS 42 HE1 HIS 42 6.491 13.653 6.545 348 HE2 HIS 42 HE2 HIS 42 4.695 13.411 8.298 349 H ILE 43 H ILE 43 3.062 7.228 4.623 350 HA ILE 43 HA ILE 43 1.759 9.456 3.226 351 HB ILE 43 HB ILE 43 1.754 7.913 1.248 352 HG12 ILE 43 HG12 ILE 43 3.591 6.251 2.986 353 HG13 ILE 43 HG13 ILE 43 1.954 5.803 2.526 354 HG21 ILE 43 HG21 ILE 43 4.435 8.602 2.443 355 HG22 ILE 43 HG22 ILE 43 3.413 9.661 1.470 356 HG23 ILE 43 HG23 ILE 43 4.135 8.226 0.746 357 HD11 ILE 43 HD11 ILE 43 4.303 6.150 0.679 358 HD12 ILE 43 HD12 ILE 43 2.652 5.803 0.165 359 HD13 ILE 43 HD13 ILE 43 3.533 4.633 1.148 360 H GLY 44 H GLY 44 0.876 7.397 5.442 361 HA2 GLY 44 HA2 GLY 44 -1.382 6.076 4.278 362 HA3 GLY 44 HA3 GLY 44 -1.033 6.224 5.994 363 H SER 45 H SER 45 -0.864 9.259 4.797 364 HA SER 45 HA SER 45 -3.553 9.928 5.639 365 HB2 SER 45 HB2 SER 45 -2.649 12.301 5.104 366 HB3 SER 45 HB3 SER 45 -1.960 11.441 6.482 367 HG SER 45 HG SER 45 -0.474 12.483 4.878 368 H SER 46 H SER 46 -1.968 9.073 2.819 369 HA SER 46 HA SER 46 -3.904 10.478 1.122 370 HB2 SER 46 HB2 SER 46 -1.305 9.126 0.352 371 HB3 SER 46 HB3 SER 46 -2.366 10.025 -0.735 372 HG SER 46 HG SER 46 -2.014 11.798 0.916 373 H ASP 47 H ASP 47 -5.627 9.303 0.673 374 HA ASP 47 HA ASP 47 -5.595 6.423 0.785 375 HB2 ASP 47 HB2 ASP 47 -7.560 7.635 1.590 376 HB3 ASP 47 HB3 ASP 47 -7.784 8.369 0.006 377 H ILE 48 H ILE 48 -6.485 5.126 -1.045 378 HA ILE 48 HA ILE 48 -4.831 5.336 -3.278 379 HB ILE 48 HB ILE 48 -5.903 3.235 -2.505 380 HG12 ILE 48 HG12 ILE 48 -6.498 3.903 -5.397 381 HG13 ILE 48 HG13 ILE 48 -4.918 3.438 -4.773 382 HG21 ILE 48 HG21 ILE 48 -8.208 2.737 -3.196 383 HG22 ILE 48 HG22 ILE 48 -8.379 4.394 -3.776 384 HG23 ILE 48 HG23 ILE 48 -8.135 4.082 -2.058 385 HD11 ILE 48 HD11 ILE 48 -5.822 1.262 -4.133 386 HD12 ILE 48 HD12 ILE 48 -6.022 1.574 -5.858 387 HD13 ILE 48 HD13 ILE 48 -7.399 1.738 -4.767 388 H ARG 49 H ARG 49 -7.926 6.753 -2.640 389 HA ARG 49 HA ARG 49 -8.881 7.301 -5.182 390 HB2 ARG 49 HB2 ARG 49 -10.052 9.202 -4.173 391 HB3 ARG 49 HB3 ARG 49 -10.135 7.789 -3.132 392 HG2 ARG 49 HG2 ARG 49 -8.278 8.728 -1.786 393 HG3 ARG 49 HG3 ARG 49 -8.344 10.181 -2.784 394 HD2 ARG 49 HD2 ARG 49 -10.709 10.480 -2.113 395 HD3 ARG 49 HD3 ARG 49 -10.547 9.087 -1.043 396 HE ARG 49 HE ARG 49 -8.678 11.292 -0.652 397 HH11 ARG 49 HH11 ARG 49 -11.585 9.650 0.407 398 HH12 ARG 49 HH12 ARG 49 -11.583 10.389 1.977 399 HH21 ARG 49 HH21 ARG 49 -8.679 12.268 1.414 400 HH22 ARG 49 HH22 ARG 49 -9.940 11.884 2.545 401 H GLN 50 H GLN 50 -6.167 8.713 -3.501 402 HA GLN 50 HA GLN 50 -5.424 10.082 -5.947 403 HB2 GLN 50 HB2 GLN 50 -6.683 11.769 -4.632 404 HB3 GLN 50 HB3 GLN 50 -5.542 11.552 -3.311 405 HG2 GLN 50 HG2 GLN 50 -4.988 13.527 -4.548 406 HG3 GLN 50 HG3 GLN 50 -3.727 12.321 -4.782 407 HE21 GLN 50 HE21 GLN 50 -3.477 11.363 -6.804 408 HE22 GLN 50 HE22 GLN 50 -4.244 11.986 -8.230 409 H LEU 51 H LEU 51 -3.837 8.413 -5.968 410 HA LEU 51 HA LEU 51 -1.787 8.563 -3.905 411 HB2 LEU 51 HB2 LEU 51 -2.585 6.362 -4.882 412 HB3 LEU 51 HB3 LEU 51 -1.776 6.822 -6.368 413 HG LEU 51 HG LEU 51 0.353 7.022 -5.007 414 HD11 LEU 51 HD11 LEU 51 0.435 5.787 -2.900 415 HD12 LEU 51 HD12 LEU 51 -1.311 5.549 -2.974 416 HD13 LEU 51 HD13 LEU 51 -0.648 7.175 -2.804 417 HD21 LEU 51 HD21 LEU 51 -0.953 4.315 -5.228 418 HD22 LEU 51 HD22 LEU 51 0.774 4.612 -5.030 419 HD23 LEU 51 HD23 LEU 51 -0.050 5.148 -6.495 420 H LYS 52 H LYS 52 0.491 8.744 -4.609 421 HA LYS 52 HA LYS 52 0.751 10.661 -6.822 422 HB2 LYS 52 HB2 LYS 52 2.192 10.566 -4.169 423 HB3 LYS 52 HB3 LYS 52 2.674 11.606 -5.505 424 HG2 LYS 52 HG2 LYS 52 0.629 12.825 -5.394 425 HG3 LYS 52 HG3 LYS 52 -0.061 11.674 -4.249 426 HD2 LYS 52 HD2 LYS 52 1.525 12.349 -2.558 427 HD3 LYS 52 HD3 LYS 52 2.349 13.408 -3.707 428 HE2 LYS 52 HE2 LYS 52 0.414 14.822 -3.871 429 HE3 LYS 52 HE3 LYS 52 -0.535 13.711 -2.884 430 HZ1 LYS 52 HZ1 LYS 52 0.377 15.744 -1.734 431 HZ2 LYS 52 HZ2 LYS 52 1.912 15.032 -1.863 432 HZ3 LYS 52 HZ3 LYS 52 0.687 14.259 -0.981 433 H THR 53 H THR 53 3.227 10.818 -7.426 434 HA THR 53 HA THR 53 3.921 8.317 -8.566 435 HB THR 53 HB THR 53 5.975 10.454 -8.412 436 HG1 THR 53 HG1 THR 53 4.075 11.063 -10.274 437 HG21 THR 53 HG21 THR 53 6.132 9.989 -10.820 438 HG22 THR 53 HG22 THR 53 4.757 8.891 -10.696 439 HG23 THR 53 HG23 THR 53 6.268 8.510 -9.871 440 H SER 54 H SER 54 6.720 8.265 -8.375 441 HA SER 54 HA SER 54 7.042 6.606 -6.126 442 HB2 SER 54 HB2 SER 54 9.194 7.768 -7.904 443 HB3 SER 54 HB3 SER 54 9.320 6.319 -6.906 444 HG SER 54 HG SER 54 8.630 6.350 -9.367 445 H HIS 55 H HIS 55 6.729 9.769 -5.869 446 HA HIS 55 HA HIS 55 8.952 10.592 -4.314 447 HB2 HIS 55 HB2 HIS 55 6.087 11.569 -4.155 448 HB3 HIS 55 HB3 HIS 55 7.493 12.389 -3.488 449 HD1 HIS 55 HD1 HIS 55 8.953 13.747 -5.112 450 HD2 HIS 55 HD2 HIS 55 5.791 11.750 -6.926 451 HE1 HIS 55 HE1 HIS 55 8.799 14.694 -7.437 452 HE2 HIS 55 HE2 HIS 55 6.732 13.637 -8.427 453 H LEU 56 H LEU 56 6.108 8.726 -3.708 454 HA LEU 56 HA LEU 56 6.191 8.850 -0.857 455 HB2 LEU 56 HB2 LEU 56 4.520 7.071 -0.929 456 HB3 LEU 56 HB3 LEU 56 4.116 8.390 -2.009 457 HG LEU 56 HG LEU 56 5.231 6.856 -3.827 458 HD11 LEU 56 HD11 LEU 56 4.899 4.483 -3.421 459 HD12 LEU 56 HD12 LEU 56 4.392 4.823 -1.765 460 HD13 LEU 56 HD13 LEU 56 6.048 5.161 -2.268 461 HD21 LEU 56 HD21 LEU 56 2.906 7.568 -3.818 462 HD22 LEU 56 HD22 LEU 56 2.509 6.290 -2.668 463 HD23 LEU 56 HD23 LEU 56 3.049 5.877 -4.296 464 H LEU 57 H LEU 57 8.044 7.200 -3.153 465 HA LEU 57 HA LEU 57 8.600 4.841 -1.642 466 HB2 LEU 57 HB2 LEU 57 8.861 4.909 -4.075 467 HB3 LEU 57 HB3 LEU 57 10.118 6.120 -3.917 468 HG LEU 57 HG LEU 57 11.540 4.474 -2.753 469 HD11 LEU 57 HD11 LEU 57 9.305 2.551 -3.386 470 HD12 LEU 57 HD12 LEU 57 9.805 3.080 -1.779 471 HD13 LEU 57 HD13 LEU 57 10.896 2.109 -2.767 472 HD21 LEU 57 HD21 LEU 57 12.045 3.109 -4.714 473 HD22 LEU 57 HD22 LEU 57 11.720 4.781 -5.173 474 HD23 LEU 57 HD23 LEU 57 10.490 3.543 -5.424 475 H ALA 58 H ALA 58 9.719 8.085 -1.562 476 HA ALA 58 HA ALA 58 12.313 7.755 -0.570 477 HB1 ALA 58 HB1 ALA 58 11.412 9.893 -1.397 478 HB2 ALA 58 HB2 ALA 58 12.179 10.044 0.185 479 HB3 ALA 58 HB3 ALA 58 10.420 10.017 0.055 480 HA PRO 59 HA PRO 59 10.317 7.854 3.954 481 HB2 PRO 59 HB2 PRO 59 7.700 6.669 3.186 482 HB3 PRO 59 HB3 PRO 59 8.087 7.832 4.453 483 HG2 PRO 59 HG2 PRO 59 6.887 8.609 2.211 484 HG3 PRO 59 HG3 PRO 59 8.120 9.625 2.986 485 HD2 PRO 59 HD2 PRO 59 8.328 7.887 0.567 486 HD3 PRO 59 HD3 PRO 59 9.084 9.457 0.897 487 H ILE 60 H ILE 60 9.494 5.500 1.462 488 HA ILE 60 HA ILE 60 9.595 3.219 3.158 489 HB ILE 60 HB ILE 60 10.073 3.328 0.170 490 HG12 ILE 60 HG12 ILE 60 7.926 4.341 0.712 491 HG13 ILE 60 HG13 ILE 60 7.675 2.768 -0.035 492 HG21 ILE 60 HG21 ILE 60 9.210 1.039 1.936 493 HG22 ILE 60 HG22 ILE 60 10.793 1.229 1.185 494 HG23 ILE 60 HG23 ILE 60 9.365 0.988 0.179 495 HD11 ILE 60 HD11 ILE 60 6.152 3.154 1.827 496 HD12 ILE 60 HD12 ILE 60 7.527 3.343 2.914 497 HD13 ILE 60 HD13 ILE 60 7.225 1.788 2.139 498 H LYS 61 H LYS 61 11.972 5.141 1.525 499 HA LYS 61 HA LYS 61 14.059 3.196 1.502 500 HB2 LYS 61 HB2 LYS 61 14.305 6.209 1.419 501 HB3 LYS 61 HB3 LYS 61 15.574 5.058 1.025 502 HG2 LYS 61 HG2 LYS 61 13.036 5.593 -0.479 503 HG3 LYS 61 HG3 LYS 61 14.703 5.798 -1.023 504 HD2 LYS 61 HD2 LYS 61 14.016 3.092 -0.136 505 HD3 LYS 61 HD3 LYS 61 13.148 3.641 -1.560 506 HE2 LYS 61 HE2 LYS 61 15.126 2.508 -2.287 507 HE3 LYS 61 HE3 LYS 61 15.345 4.232 -2.587 508 HZ1 LYS 61 HZ1 LYS 61 16.454 2.723 -0.268 509 HZ2 LYS 61 HZ2 LYS 61 16.696 4.375 -0.592 510 HZ3 LYS 61 HZ3 LYS 61 17.326 3.207 -1.644 511 H GLU 62 H GLU 62 12.795 5.355 3.846 512 HA GLU 62 HA GLU 62 14.942 5.564 5.622 513 HB2 GLU 62 HB2 GLU 62 12.004 5.361 6.332 514 HB3 GLU 62 HB3 GLU 62 13.273 6.076 7.310 515 HG2 GLU 62 HG2 GLU 62 13.607 7.810 5.639 516 HG3 GLU 62 HG3 GLU 62 12.349 7.092 4.637 517 H VAL 63 H VAL 63 12.306 3.156 5.515 518 HA VAL 63 HA VAL 63 13.593 1.500 7.488 519 HB VAL 63 HB VAL 63 11.100 1.603 7.204 520 HG11 VAL 63 HG11 VAL 63 11.626 -0.040 4.739 521 HG12 VAL 63 HG12 VAL 63 10.954 1.589 4.791 522 HG13 VAL 63 HG13 VAL 63 10.047 0.240 5.475 523 HG21 VAL 63 HG21 VAL 63 12.105 -0.189 8.476 524 HG22 VAL 63 HG22 VAL 63 12.381 -1.119 7.001 525 HG23 VAL 63 HG23 VAL 63 10.736 -0.808 7.553 526 H ASP 64 H ASP 64 13.399 1.662 4.007 527 HA ASP 64 HA ASP 64 14.344 -0.855 3.278 528 HB2 ASP 64 HB2 ASP 64 13.544 0.296 1.471 529 HB3 ASP 64 HB3 ASP 64 14.190 1.834 2.022 530 H THR 65 H THR 65 16.227 2.154 3.617 531 HA THR 65 HA THR 65 18.676 0.843 3.015 532 HB THR 65 HB THR 65 18.351 3.553 4.302 533 HG1 THR 65 HG1 THR 65 17.488 2.647 1.884 534 HG21 THR 65 HG21 THR 65 20.412 4.076 3.087 535 HG22 THR 65 HG22 THR 65 20.456 2.435 2.442 536 HG23 THR 65 HG23 THR 65 20.656 2.707 4.173 537 H SER 66 H SER 66 16.846 1.072 5.850 538 HA SER 66 HA SER 66 18.961 0.912 7.753 539 HB2 SER 66 HB2 SER 66 16.046 0.126 7.962 540 HB3 SER 66 HB3 SER 66 17.171 0.192 9.319 541 HG SER 66 HG SER 66 16.053 2.284 7.807 542 H GLY 67 H GLY 67 17.661 -1.300 5.519 543 HA2 GLY 67 HA2 GLY 67 19.112 -3.336 5.339 544 HA3 GLY 67 HA3 GLY 67 18.790 -3.562 7.053 545 H LYS 68 H LYS 68 16.008 -2.373 5.932 546 HA LYS 68 HA LYS 68 14.823 -5.020 5.621 547 HB2 LYS 68 HB2 LYS 68 14.024 -2.812 7.002 548 HB3 LYS 68 HB3 LYS 68 13.110 -2.621 5.511 549 HG2 LYS 68 HG2 LYS 68 11.613 -4.015 6.331 550 HG3 LYS 68 HG3 LYS 68 12.818 -5.301 6.224 551 HD2 LYS 68 HD2 LYS 68 12.317 -3.488 8.583 552 HD3 LYS 68 HD3 LYS 68 11.941 -5.205 8.470 553 HE2 LYS 68 HE2 LYS 68 14.329 -5.714 8.249 554 HE3 LYS 68 HE3 LYS 68 14.701 -3.996 8.367 555 HZ1 LYS 68 HZ1 LYS 68 13.973 -3.930 10.593 556 HZ2 LYS 68 HZ2 LYS 68 14.943 -5.315 10.475 557 HZ3 LYS 68 HZ3 LYS 68 13.253 -5.461 10.499 558 H HIS 69 H HIS 69 16.430 -3.536 3.564 559 HA HIS 69 HA HIS 69 14.884 -2.223 1.687 560 HB2 HIS 69 HB2 HIS 69 16.771 -2.102 0.383 561 HB3 HIS 69 HB3 HIS 69 17.497 -2.502 1.931 562 HD1 HIS 69 HD1 HIS 69 18.614 -4.848 2.143 563 HD2 HIS 69 HD2 HIS 69 16.934 -4.071 -1.585 564 HE1 HIS 69 HE1 HIS 69 19.446 -6.669 0.626 565 HE2 HIS 69 HE2 HIS 69 18.185 -6.330 -1.529 566 H ASP 70 H ASP 70 15.568 -5.695 1.913 567 HA ASP 70 HA ASP 70 14.502 -6.241 -0.698 568 HB2 ASP 70 HB2 ASP 70 16.259 -7.644 0.341 569 HB3 ASP 70 HB3 ASP 70 15.102 -8.160 1.565 570 H VAL 71 H VAL 71 13.344 -6.453 2.601 571 HA VAL 71 HA VAL 71 10.860 -7.698 1.950 572 HB VAL 71 HB VAL 71 11.536 -6.084 4.416 573 HG11 VAL 71 HG11 VAL 71 9.159 -6.491 4.159 574 HG12 VAL 71 HG12 VAL 71 9.803 -7.449 5.490 575 HG13 VAL 71 HG13 VAL 71 9.454 -8.215 3.939 576 HG21 VAL 71 HG21 VAL 71 13.190 -7.844 4.095 577 HG22 VAL 71 HG22 VAL 71 11.906 -9.040 3.924 578 HG23 VAL 71 HG23 VAL 71 12.141 -8.212 5.465 579 H ALA 72 H ALA 72 11.851 -4.377 2.727 580 HA ALA 72 HA ALA 72 9.312 -3.205 2.639 581 HB1 ALA 72 HB1 ALA 72 10.475 -1.079 2.452 582 HB2 ALA 72 HB2 ALA 72 11.962 -1.914 2.004 583 HB3 ALA 72 HB3 ALA 72 11.284 -2.124 3.618 584 H GLN 73 H GLN 73 11.755 -3.586 0.095 585 HA GLN 73 HA GLN 73 10.473 -2.117 -1.915 586 HB2 GLN 73 HB2 GLN 73 12.837 -3.229 -1.827 587 HB3 GLN 73 HB3 GLN 73 12.017 -4.611 -2.537 588 HG2 GLN 73 HG2 GLN 73 11.537 -3.502 -4.494 589 HG3 GLN 73 HG3 GLN 73 11.687 -1.917 -3.746 590 HE21 GLN 73 HE21 GLN 73 13.098 -1.143 -5.273 591 HE22 GLN 73 HE22 GLN 73 14.724 -1.698 -5.416 592 H ARG 74 H ARG 74 10.325 -5.544 -1.144 593 HA ARG 74 HA ARG 74 8.552 -6.291 -3.197 594 HB2 ARG 74 HB2 ARG 74 9.941 -7.848 -1.783 595 HB3 ARG 74 HB3 ARG 74 8.773 -7.614 -0.489 596 HG2 ARG 74 HG2 ARG 74 8.303 -9.669 -1.663 597 HG3 ARG 74 HG3 ARG 74 7.007 -8.506 -1.954 598 HD2 ARG 74 HD2 ARG 74 8.106 -7.907 -4.102 599 HD3 ARG 74 HD3 ARG 74 9.274 -9.196 -3.820 600 HE ARG 74 HE ARG 74 6.988 -10.556 -3.675 601 HH11 ARG 74 HH11 ARG 74 8.081 -8.160 -5.986 602 HH12 ARG 74 HH12 ARG 74 7.134 -8.808 -7.291 603 HH21 ARG 74 HH21 ARG 74 5.743 -11.407 -5.402 604 HH22 ARG 74 HH22 ARG 74 5.810 -10.640 -6.966 605 H LEU 75 H LEU 75 7.980 -5.101 0.078 606 HA LEU 75 HA LEU 75 5.160 -5.533 0.017 607 HB2 LEU 75 HB2 LEU 75 6.850 -3.771 1.791 608 HB3 LEU 75 HB3 LEU 75 5.141 -4.082 2.036 609 HG LEU 75 HG LEU 75 7.320 -6.176 2.113 610 HD11 LEU 75 HD11 LEU 75 6.839 -6.245 4.515 611 HD12 LEU 75 HD12 LEU 75 5.728 -4.889 4.324 612 HD13 LEU 75 HD13 LEU 75 7.450 -4.669 4.012 613 HD21 LEU 75 HD21 LEU 75 4.369 -6.352 2.711 614 HD22 LEU 75 HD22 LEU 75 5.551 -7.632 2.982 615 HD23 LEU 75 HD23 LEU 75 5.202 -7.087 1.341 616 H GLN 76 H GLN 76 7.208 -2.660 -0.463 617 HA GLN 76 HA GLN 76 5.106 -0.821 -0.741 618 HB2 GLN 76 HB2 GLN 76 6.754 0.653 -1.790 619 HB3 GLN 76 HB3 GLN 76 7.385 -0.084 -0.333 620 HG2 GLN 76 HG2 GLN 76 9.187 -0.327 -1.667 621 HG3 GLN 76 HG3 GLN 76 8.342 -1.809 -2.106 622 HE21 GLN 76 HE21 GLN 76 9.212 -1.944 -4.141 623 HE22 GLN 76 HE22 GLN 76 8.821 -0.837 -5.411 624 H GLN 77 H GLN 77 6.715 -2.859 -3.080 625 HA GLN 77 HA GLN 77 5.641 -1.792 -5.433 626 HB2 GLN 77 HB2 GLN 77 7.530 -3.416 -5.283 627 HB3 GLN 77 HB3 GLN 77 6.367 -4.680 -4.913 628 HG2 GLN 77 HG2 GLN 77 5.649 -3.246 -7.319 629 HG3 GLN 77 HG3 GLN 77 7.275 -3.920 -7.420 630 HE21 GLN 77 HE21 GLN 77 3.889 -4.628 -7.107 631 HE22 GLN 77 HE22 GLN 77 4.004 -6.328 -7.445 632 H ARG 78 H ARG 78 4.129 -3.630 -2.957 633 HA ARG 78 HA ARG 78 2.146 -4.921 -4.495 634 HB2 ARG 78 HB2 ARG 78 2.242 -4.115 -1.597 635 HB3 ARG 78 HB3 ARG 78 0.857 -4.942 -2.295 636 HG2 ARG 78 HG2 ARG 78 3.679 -5.989 -2.198 637 HG3 ARG 78 HG3 ARG 78 2.336 -6.506 -1.177 638 HD2 ARG 78 HD2 ARG 78 1.118 -7.183 -3.242 639 HD3 ARG 78 HD3 ARG 78 2.576 -6.822 -4.164 640 HE ARG 78 HE ARG 78 2.829 -8.725 -1.969 641 HH11 ARG 78 HH11 ARG 78 2.547 -8.192 -5.427 642 HH12 ARG 78 HH12 ARG 78 3.035 -9.804 -5.846 643 HH21 ARG 78 HH21 ARG 78 3.488 -10.839 -2.524 644 HH22 ARG 78 HH22 ARG 78 3.588 -11.307 -4.197 645 H VAL 79 H VAL 79 2.384 -1.644 -3.213 646 HA VAL 79 HA VAL 79 -0.367 -1.000 -3.544 647 HB VAL 79 HB VAL 79 0.207 1.310 -3.283 648 HG11 VAL 79 HG11 VAL 79 1.541 1.260 -1.213 649 HG12 VAL 79 HG12 VAL 79 1.959 -0.422 -1.553 650 HG13 VAL 79 HG13 VAL 79 0.278 0.027 -1.254 651 HG21 VAL 79 HG21 VAL 79 2.499 2.140 -3.259 652 HG22 VAL 79 HG22 VAL 79 2.089 1.440 -4.825 653 HG23 VAL 79 HG23 VAL 79 3.092 0.535 -3.690 654 H THR 80 H THR 80 2.398 -0.985 -5.679 655 HA THR 80 HA THR 80 1.349 0.491 -7.815 656 HB THR 80 HB THR 80 3.115 -1.921 -8.190 657 HG1 THR 80 HG1 THR 80 3.996 0.660 -7.333 658 HG21 THR 80 HG21 THR 80 4.168 -0.489 -9.889 659 HG22 THR 80 HG22 THR 80 3.025 0.798 -9.504 660 HG23 THR 80 HG23 THR 80 2.447 -0.716 -10.201 661 H ALA 81 H ALA 81 1.075 -2.926 -6.952 662 HA ALA 81 HA ALA 81 -0.349 -3.734 -9.270 663 HB1 ALA 81 HB1 ALA 81 -0.259 -4.999 -6.530 664 HB2 ALA 81 HB2 ALA 81 0.845 -5.329 -7.864 665 HB3 ALA 81 HB3 ALA 81 -0.857 -5.767 -8.002 666 H ILE 82 H ILE 82 -1.319 -2.591 -6.073 667 HA ILE 82 HA ILE 82 -4.082 -3.012 -6.277 668 HB ILE 82 HB ILE 82 -2.774 -0.675 -4.872 669 HG12 ILE 82 HG12 ILE 82 -3.290 -3.465 -3.814 670 HG13 ILE 82 HG13 ILE 82 -1.707 -2.831 -4.252 671 HG21 ILE 82 HG21 ILE 82 -5.356 -2.153 -4.355 672 HG22 ILE 82 HG22 ILE 82 -5.204 -0.537 -5.043 673 HG23 ILE 82 HG23 ILE 82 -4.713 -0.835 -3.375 674 HD11 ILE 82 HD11 ILE 82 -3.488 -1.799 -2.058 675 HD12 ILE 82 HD12 ILE 82 -1.917 -1.133 -2.503 676 HD13 ILE 82 HD13 ILE 82 -2.031 -2.770 -1.857 677 H MET 83 H MET 83 -2.079 -0.243 -7.208 678 HA MET 83 HA MET 83 -4.177 1.400 -8.127 679 HB2 MET 83 HB2 MET 83 -1.297 1.367 -9.052 680 HB3 MET 83 HB3 MET 83 -2.442 2.682 -9.276 681 HG2 MET 83 HG2 MET 83 -1.372 1.674 -6.654 682 HG3 MET 83 HG3 MET 83 -0.923 3.171 -7.468 683 HE1 MET 83 HE1 MET 83 -4.184 5.299 -7.179 684 HE2 MET 83 HE2 MET 83 -3.648 4.310 -8.536 685 HE3 MET 83 HE3 MET 83 -2.484 5.296 -7.652 686 H ARG 84 H ARG 84 -2.424 -1.221 -9.603 687 HA ARG 84 HA ARG 84 -3.117 -0.679 -12.293 688 HB2 ARG 84 HB2 ARG 84 -1.311 -2.268 -11.385 689 HB3 ARG 84 HB3 ARG 84 -2.612 -3.427 -11.161 690 HG2 ARG 84 HG2 ARG 84 -2.065 -2.150 -13.819 691 HG3 ARG 84 HG3 ARG 84 -1.219 -3.599 -13.283 692 HD2 ARG 84 HD2 ARG 84 -3.287 -4.820 -13.137 693 HD3 ARG 84 HD3 ARG 84 -4.222 -3.358 -13.459 694 HE ARG 84 HE ARG 84 -2.410 -3.846 -15.578 695 HH11 ARG 84 HH11 ARG 84 -5.363 -5.132 -14.208 696 HH12 ARG 84 HH12 ARG 84 -5.987 -5.686 -15.732 697 HH21 ARG 84 HH21 ARG 84 -3.230 -4.528 -17.579 698 HH22 ARG 84 HH22 ARG 84 -4.777 -5.323 -17.666 699 H TYR 85 H TYR 85 -4.655 -2.535 -9.710 700 HA TYR 85 HA TYR 85 -6.781 -3.493 -11.370 701 HB2 TYR 85 HB2 TYR 85 -6.526 -3.334 -8.361 702 HB3 TYR 85 HB3 TYR 85 -7.856 -4.125 -9.205 703 HD1 TYR 85 HD1 TYR 85 -6.721 -5.668 -11.275 704 HD2 TYR 85 HD2 TYR 85 -5.106 -4.893 -7.415 705 HE1 TYR 85 HE1 TYR 85 -5.425 -7.751 -11.405 706 HE2 TYR 85 HE2 TYR 85 -3.800 -6.975 -7.538 707 HH TYR 85 HH TYR 85 -3.396 -8.731 -10.417 708 H ALA 86 H ALA 86 -6.378 -0.820 -9.107 709 HA ALA 86 HA ALA 86 -9.040 0.104 -9.201 710 HB1 ALA 86 HB1 ALA 86 -6.512 1.641 -8.626 711 HB2 ALA 86 HB2 ALA 86 -7.486 0.762 -7.448 712 HB3 ALA 86 HB3 ALA 86 -8.152 2.177 -8.262 713 H VAL 87 H VAL 87 -6.184 0.903 -11.146 714 HA VAL 87 HA VAL 87 -7.405 3.008 -12.602 715 HB VAL 87 HB VAL 87 -4.898 2.405 -12.419 716 HG11 VAL 87 HG11 VAL 87 -3.974 1.203 -14.341 717 HG12 VAL 87 HG12 VAL 87 -5.614 0.751 -14.811 718 HG13 VAL 87 HG13 VAL 87 -4.941 0.171 -13.287 719 HG21 VAL 87 HG21 VAL 87 -6.085 3.327 -15.016 720 HG22 VAL 87 HG22 VAL 87 -4.413 3.580 -14.516 721 HG23 VAL 87 HG23 VAL 87 -5.728 4.336 -13.613 722 H GLN 88 H GLN 88 -7.461 -0.425 -12.871 723 HA GLN 88 HA GLN 88 -8.018 -0.622 -15.605 724 HB2 GLN 88 HB2 GLN 88 -7.428 -2.434 -13.719 725 HB3 GLN 88 HB3 GLN 88 -9.171 -2.651 -13.750 726 HG2 GLN 88 HG2 GLN 88 -7.449 -2.806 -16.208 727 HG3 GLN 88 HG3 GLN 88 -7.835 -4.200 -15.207 728 HE21 GLN 88 HE21 GLN 88 -10.527 -3.424 -14.630 729 HE22 GLN 88 HE22 GLN 88 -11.439 -3.596 -16.094 730 H ASN 89 H ASN 89 -9.999 -0.052 -12.797 731 HA ASN 89 HA ASN 89 -12.482 -0.238 -14.303 732 HB2 ASN 89 HB2 ASN 89 -12.001 0.562 -11.422 733 HB3 ASN 89 HB3 ASN 89 -13.578 0.331 -12.165 734 HD21 ASN 89 HD21 ASN 89 -10.809 -1.192 -10.797 735 HD22 ASN 89 HD22 ASN 89 -11.423 -2.808 -10.824 736 H ASP 90 H ASP 90 -10.124 1.967 -14.187 737 HA ASP 90 HA ASP 90 -9.897 4.222 -14.427 738 HB2 ASP 90 HB2 ASP 90 -11.328 3.644 -16.419 739 HB3 ASP 90 HB3 ASP 90 -12.740 4.095 -15.470 740 H TYR 91 H TYR 91 -10.487 3.440 -11.909 741 HA TYR 91 HA TYR 91 -12.833 4.933 -10.989 742 HB2 TYR 91 HB2 TYR 91 -12.110 2.368 -10.536 743 HB3 TYR 91 HB3 TYR 91 -11.365 3.143 -9.144 744 HD1 TYR 91 HD2 TYR 91 -12.884 4.607 -7.664 745 HD2 TYR 91 HD1 TYR 91 -14.369 1.830 -10.522 746 HE1 TYR 91 HE2 TYR 91 -15.049 4.576 -6.504 747 HE2 TYR 91 HE1 TYR 91 -16.541 1.794 -9.371 748 HH TYR 91 HH TYR 91 -17.453 4.087 -7.117 749 H ILE 92 H ILE 92 -9.405 5.159 -10.973 750 HA ILE 92 HA ILE 92 -9.438 6.538 -8.380 751 HB ILE 92 HB ILE 92 -6.837 6.343 -8.756 752 HG12 ILE 92 HG12 ILE 92 -7.871 3.950 -10.293 753 HG13 ILE 92 HG13 ILE 92 -7.115 5.355 -11.035 754 HG21 ILE 92 HG21 ILE 92 -6.901 4.209 -7.508 755 HG22 ILE 92 HG22 ILE 92 -8.626 4.086 -7.860 756 HG23 ILE 92 HG23 ILE 92 -8.018 5.415 -6.871 757 HD11 ILE 92 HD11 ILE 92 -5.564 3.492 -10.805 758 HD12 ILE 92 HD12 ILE 92 -5.804 3.506 -9.057 759 HD13 ILE 92 HD13 ILE 92 -5.049 4.886 -9.856 760 H ASP 93 H ASP 93 -7.041 6.948 -10.930 761 HA ASP 93 HA ASP 93 -7.610 9.613 -11.616 762 HB2 ASP 93 HB2 ASP 93 -7.194 9.890 -9.139 763 HB3 ASP 93 HB3 ASP 93 -5.541 9.361 -9.411 764 H SER 94 H SER 94 -6.794 7.441 -12.984 765 HA SER 94 HA SER 94 -5.384 6.867 -14.675 766 HB2 SER 94 HB2 SER 94 -3.853 9.354 -13.866 767 HB3 SER 94 HB3 SER 94 -3.545 8.405 -15.317 768 HG SER 94 HG SER 94 -6.079 8.880 -15.435 769 H ASN 95 H ASN 95 -2.465 7.113 -14.668 770 HA ASN 95 HA ASN 95 -1.969 5.067 -12.622 771 HB2 ASN 95 HB2 ASN 95 -1.841 4.710 -15.270 772 HB3 ASN 95 HB3 ASN 95 -0.199 5.289 -14.994 773 HD21 ASN 95 HD21 ASN 95 -2.487 2.787 -14.399 774 HD22 ASN 95 HD22 ASN 95 -1.375 1.637 -13.764 775 HA PRO 96 HA PRO 96 0.943 8.424 -11.417 776 HB2 PRO 96 HB2 PRO 96 0.464 7.590 -8.685 777 HB3 PRO 96 HB3 PRO 96 0.078 9.132 -9.453 778 HG2 PRO 96 HG2 PRO 96 -1.815 7.346 -8.637 779 HG3 PRO 96 HG3 PRO 96 -2.057 8.490 -9.969 780 HD2 PRO 96 HD2 PRO 96 -1.359 5.577 -10.070 781 HD3 PRO 96 HD3 PRO 96 -2.485 6.504 -11.088 782 H ALA 97 H ALA 97 0.749 5.049 -10.784 783 HA ALA 97 HA ALA 97 3.417 4.938 -9.608 784 HB1 ALA 97 HB1 ALA 97 2.949 2.587 -9.198 785 HB2 ALA 97 HB2 ALA 97 1.429 2.719 -10.082 786 HB3 ALA 97 HB3 ALA 97 1.648 3.598 -8.570 787 H SER 98 H SER 98 4.501 5.630 -11.521 788 HA SER 98 HA SER 98 4.977 3.390 -13.356 789 HB2 SER 98 HB2 SER 98 4.765 6.303 -14.164 790 HB3 SER 98 HB3 SER 98 5.205 4.970 -15.232 791 HG SER 98 HG SER 98 2.881 4.506 -13.878 792 H ASP 99 H ASP 99 7.090 3.028 -13.887 793 HA ASP 99 HA ASP 99 9.357 3.044 -13.676 794 HB2 ASP 99 HB2 ASP 99 9.188 5.298 -14.699 795 HB3 ASP 99 HB3 ASP 99 9.025 6.002 -13.098 796 H MET 100 H MET 100 7.378 2.901 -11.397 797 HA MET 100 HA MET 100 8.605 3.986 -9.074 798 HB2 MET 100 HB2 MET 100 6.165 3.500 -9.347 799 HB3 MET 100 HB3 MET 100 6.538 1.785 -9.278 800 HG2 MET 100 HG2 MET 100 7.396 2.049 -7.024 801 HG3 MET 100 HG3 MET 100 7.067 3.778 -7.088 802 HE1 MET 100 HE1 MET 100 5.741 3.518 -4.792 803 HE2 MET 100 HE2 MET 100 6.044 1.781 -4.791 804 HE3 MET 100 HE3 MET 100 4.406 2.391 -4.557 805 H ALA 101 H ALA 101 8.708 0.881 -10.708 806 HA ALA 101 HA ALA 101 10.400 -0.253 -8.599 807 HB1 ALA 101 HB1 ALA 101 8.588 -1.646 -9.478 808 HB2 ALA 101 HB2 ALA 101 10.166 -2.361 -9.813 809 HB3 ALA 101 HB3 ALA 101 9.282 -1.534 -11.096 810 H GLY 102 H GLY 102 11.105 1.871 -10.754 811 HA2 GLY 102 HA2 GLY 102 13.214 0.560 -12.243 812 HA3 GLY 102 HA3 GLY 102 12.831 2.276 -12.262 813 H ALA 103 H ALA 103 14.113 -0.210 -10.068 814 HA ALA 103 HA ALA 103 16.193 1.673 -9.238 815 HB1 ALA 103 HB1 ALA 103 14.454 0.105 -7.331 816 HB2 ALA 103 HB2 ALA 103 14.371 1.845 -7.603 817 HB3 ALA 103 HB3 ALA 103 15.816 1.131 -6.886 818 H LEU 104 H LEU 104 16.932 -0.189 -7.098 819 HA LEU 104 HA LEU 104 18.801 -1.733 -8.578 820 HB2 LEU 104 HB2 LEU 104 19.525 -2.516 -6.318 821 HB3 LEU 104 HB3 LEU 104 19.493 -0.775 -6.517 822 HG LEU 104 HG LEU 104 17.125 -0.963 -5.415 823 HD11 LEU 104 HD11 LEU 104 16.985 -2.758 -3.754 824 HD12 LEU 104 HD12 LEU 104 18.436 -3.494 -4.442 825 HD13 LEU 104 HD13 LEU 104 16.962 -3.377 -5.405 826 HD21 LEU 104 HD21 LEU 104 18.150 -0.722 -3.200 827 HD22 LEU 104 HD22 LEU 104 18.980 0.227 -4.432 828 HD23 LEU 104 HD23 LEU 104 19.684 -1.288 -3.864 829 H SER 105 H SER 105 15.749 -2.437 -8.530 830 HA SER 105 HA SER 105 15.505 -4.971 -7.308 831 HB2 SER 105 HB2 SER 105 13.907 -3.773 -9.581 832 HB3 SER 105 HB3 SER 105 13.434 -5.175 -8.618 833 HG SER 105 HG SER 105 13.707 -3.646 -6.766 834 H THR 106 H THR 106 16.574 -3.941 -10.479 835 HA THR 106 HA THR 106 17.348 -6.719 -11.015 836 HB THR 106 HB THR 106 16.877 -6.322 -13.450 837 HG1 THR 106 HG1 THR 106 16.698 -3.937 -13.074 838 HG21 THR 106 HG21 THR 106 14.507 -6.208 -11.580 839 HG22 THR 106 HG22 THR 106 15.349 -7.663 -12.112 840 HG23 THR 106 HG23 THR 106 14.445 -6.689 -13.273 841 H THR 107 H THR 107 19.492 -6.696 -10.925 842 HA THR 107 HA THR 107 20.914 -4.542 -12.353 843 HB THR 107 HB THR 107 22.876 -5.130 -10.890 844 HG1 THR 107 HG1 THR 107 21.429 -7.171 -10.219 845 HG21 THR 107 HG21 THR 107 21.489 -3.168 -10.426 846 HG22 THR 107 HG22 THR 107 22.052 -3.914 -8.930 847 HG23 THR 107 HG23 THR 107 20.392 -4.165 -9.467 848 H LYS 108 H LYS 108 22.217 -5.141 -14.013 849 HA LYS 108 HA LYS 108 23.154 -7.847 -14.302 850 HB2 LYS 108 HB2 LYS 108 21.963 -8.275 -16.417 851 HB3 LYS 108 HB3 LYS 108 20.860 -8.144 -15.053 852 HG2 LYS 108 HG2 LYS 108 20.124 -6.006 -15.719 853 HG3 LYS 108 HG3 LYS 108 21.452 -5.819 -16.862 854 HD2 LYS 108 HD2 LYS 108 19.197 -7.811 -17.091 855 HD3 LYS 108 HD3 LYS 108 19.338 -6.302 -17.989 856 HE2 LYS 108 HE2 LYS 108 21.463 -7.112 -18.948 857 HE3 LYS 108 HE3 LYS 108 21.213 -8.651 -18.128 858 HZ1 LYS 108 HZ1 LYS 108 20.489 -8.812 -20.394 859 HZ2 LYS 108 HZ2 LYS 108 19.476 -7.466 -20.224 860 HZ3 LYS 108 HZ3 LYS 108 19.132 -8.894 -19.383 861 H ALA 109 H ALA 109 24.320 -8.137 -16.312 862 HA ALA 109 HA ALA 109 24.832 -6.030 -18.131 863 HB1 ALA 109 HB1 ALA 109 26.219 -5.179 -16.291 864 HB2 ALA 109 HB2 ALA 109 27.219 -5.702 -17.645 865 HB3 ALA 109 HB3 ALA 109 27.069 -6.721 -16.212 866 H ARG 110 H ARG 110 26.864 -8.551 -16.738 867 HA ARG 110 HA ARG 110 27.731 -10.456 -17.452 868 HB2 ARG 110 HB2 ARG 110 24.955 -10.492 -18.230 869 HB3 ARG 110 HB3 ARG 110 25.949 -11.556 -19.219 870 HG2 ARG 110 HG2 ARG 110 26.804 -12.663 -17.276 871 HG3 ARG 110 HG3 ARG 110 25.975 -11.522 -16.218 872 HD2 ARG 110 HD2 ARG 110 24.566 -13.345 -18.150 873 HD3 ARG 110 HD3 ARG 110 24.886 -13.746 -16.467 874 HE ARG 110 HE ARG 110 22.955 -11.817 -17.481 875 HH11 ARG 110 HH11 ARG 110 24.585 -13.209 -14.701 876 HH12 ARG 110 HH12 ARG 110 23.439 -12.577 -13.560 877 HH21 ARG 110 HH21 ARG 110 21.428 -11.010 -15.971 878 HH22 ARG 110 HH22 ARG 110 21.657 -11.314 -14.268 879 H HIS 111 H HIS 111 29.303 -10.909 -18.618 880 HA HIS 111 HA HIS 111 29.316 -10.533 -21.509 881 HB2 HIS 111 HB2 HIS 111 30.171 -8.390 -20.461 882 HB3 HIS 111 HB3 HIS 111 31.482 -9.327 -19.757 883 HD1 HIS 111 HD1 HIS 111 30.157 -8.204 -23.113 884 HD2 HIS 111 HD2 HIS 111 33.631 -9.750 -21.426 885 HE1 HIS 111 HE1 HIS 111 31.916 -8.049 -24.907 886 HE2 HIS 111 HE2 HIS 111 34.031 -8.922 -23.846 887 H TYR 112 H TYR 112 29.424 -12.574 -19.274 888 HA TYR 112 HA TYR 112 32.028 -13.818 -19.831 889 HB2 TYR 112 HB2 TYR 112 30.157 -14.411 -17.528 890 HB3 TYR 112 HB3 TYR 112 31.819 -14.958 -17.717 891 HD1 TYR 112 HD1 TYR 112 33.687 -13.417 -17.318 892 HD2 TYR 112 HD2 TYR 112 29.652 -12.179 -16.769 893 HE1 TYR 112 HE1 TYR 112 34.465 -11.455 -16.057 894 HE2 TYR 112 HE2 TYR 112 30.419 -10.216 -15.503 895 HH TYR 112 HH TYR 112 33.758 -9.297 -15.377 896 HA PRO 113 HA PRO 113 29.856 -17.136 -21.843 897 HB2 PRO 113 HB2 PRO 113 31.585 -19.184 -21.363 898 HB3 PRO 113 HB3 PRO 113 31.871 -17.946 -22.590 899 HG2 PRO 113 HG2 PRO 113 32.988 -18.175 -19.830 900 HG3 PRO 113 HG3 PRO 113 33.795 -17.680 -21.330 901 HD2 PRO 113 HD2 PRO 113 32.937 -15.906 -19.465 902 HD3 PRO 113 HD3 PRO 113 32.994 -15.524 -21.196 903 H LEU 114 H LEU 114 28.476 -18.762 -21.290 904 HA LEU 114 HA LEU 114 27.609 -18.879 -18.605 905 HB2 LEU 114 HB2 LEU 114 26.932 -20.731 -20.894 906 HB3 LEU 114 HB3 LEU 114 26.047 -20.599 -19.386 907 HG LEU 114 HG LEU 114 26.323 -18.407 -21.442 908 HD11 LEU 114 HD11 LEU 114 23.960 -20.129 -20.719 909 HD12 LEU 114 HD12 LEU 114 24.907 -20.247 -22.202 910 HD13 LEU 114 HD13 LEU 114 23.959 -18.795 -21.872 911 HD21 LEU 114 HD21 LEU 114 26.136 -17.501 -19.205 912 HD22 LEU 114 HD22 LEU 114 24.748 -18.538 -18.877 913 HD23 LEU 114 HD23 LEU 114 24.626 -17.259 -20.084 914 H GLU 115 H GLU 115 29.258 -21.167 -20.692 915 HA GLU 115 HA GLU 115 30.599 -22.937 -20.329 916 HB2 GLU 115 HB2 GLU 115 31.971 -21.077 -19.454 917 HB3 GLU 115 HB3 GLU 115 31.357 -21.417 -17.841 918 HG2 GLU 115 HG2 GLU 115 32.434 -23.512 -17.767 919 HG3 GLU 115 HG3 GLU 115 32.801 -23.461 -19.491 920 H HIS 116 H HIS 116 29.302 -24.670 -20.032 921 HA HIS 116 HA HIS 116 28.932 -25.507 -17.233 922 HB2 HIS 116 HB2 HIS 116 27.226 -26.039 -19.661 923 HB3 HIS 116 HB3 HIS 116 27.150 -27.080 -18.243 924 HD1 HIS 116 HD1 HIS 116 25.518 -24.226 -19.652 925 HD2 HIS 116 HD2 HIS 116 26.595 -25.391 -15.802 926 HE1 HIS 116 HE1 HIS 116 24.075 -22.872 -18.101 927 HE2 HIS 116 HE2 HIS 116 24.861 -23.469 -15.778 928 H HIS 117 H HIS 117 29.653 -27.509 -16.645 929 HA HIS 117 HA HIS 117 30.886 -29.404 -16.666 930 HB2 HIS 117 HB2 HIS 117 30.451 -29.244 -19.641 931 HB3 HIS 117 HB3 HIS 117 31.461 -30.487 -18.913 932 HD1 HIS 117 HD1 HIS 117 30.246 -32.592 -18.509 933 HD2 HIS 117 HD2 HIS 117 27.726 -29.294 -18.284 934 HE1 HIS 117 HE1 HIS 117 27.947 -33.520 -18.088 935 HE2 HIS 117 HE2 HIS 117 26.419 -31.518 -18.120 936 H HIS 118 H HIS 118 31.945 -27.021 -19.069 937 HA HIS 118 HA HIS 118 34.710 -27.664 -18.833 938 HB2 HIS 118 HB2 HIS 118 33.667 -26.435 -20.767 939 HB3 HIS 118 HB3 HIS 118 33.483 -25.036 -19.715 940 HD1 HIS 118 HD1 HIS 118 35.380 -23.420 -19.749 941 HD2 HIS 118 HD2 HIS 118 36.506 -27.205 -21.073 942 HE1 HIS 118 HE1 HIS 118 37.762 -23.198 -20.519 943 HE2 HIS 118 HE2 HIS 118 38.398 -25.470 -21.397 944 H HIS 119 H HIS 119 36.268 -26.786 -17.500 945 HA HIS 119 HA HIS 119 35.378 -24.859 -15.472 946 HB2 HIS 119 HB2 HIS 119 36.495 -26.180 -13.700 947 HB3 HIS 119 HB3 HIS 119 35.148 -27.045 -14.425 948 HD1 HIS 119 HD1 HIS 119 38.574 -27.525 -13.434 949 HD2 HIS 119 HD2 HIS 119 36.129 -28.995 -16.464 950 HE1 HIS 119 HE1 HIS 119 39.697 -29.615 -14.258 951 HE2 HIS 119 HE2 HIS 119 38.313 -30.360 -16.231 952 H HIS 120 H HIS 120 36.999 -23.583 -14.562 953 HA HIS 120 HA HIS 120 39.601 -23.700 -15.946 954 HB2 HIS 120 HB2 HIS 120 38.179 -21.360 -14.655 955 HB3 HIS 120 HB3 HIS 120 39.846 -21.299 -15.216 956 HD1 HIS 120 HD1 HIS 120 39.964 -20.122 -17.384 957 HD2 HIS 120 HD2 HIS 120 36.499 -22.382 -17.037 958 HE1 HIS 120 HE1 HIS 120 38.735 -19.812 -19.558 959 HE2 HIS 120 HE2 HIS 120 36.535 -21.007 -19.216 960 H HIS 121 H HIS 121 41.306 -22.517 -14.457 961 HA HIS 121 HA HIS 121 42.711 -22.730 -12.708 962 HB2 HIS 121 HB2 HIS 121 40.914 -21.512 -11.502 963 HB3 HIS 121 HB3 HIS 121 40.198 -23.055 -11.048 964 HD1 HIS 121 HD1 HIS 121 40.732 -23.586 -8.694 965 HD2 HIS 121 HD2 HIS 121 43.882 -21.649 -10.592 966 HE1 HIS 121 HE1 HIS 121 42.562 -23.432 -6.982 967 HE2 HIS 121 HE2 HIS 121 44.534 -22.489 -8.237 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -9.524 11.516 -5.547 2 H2 MET 1 H2 MET 1 -9.046 11.579 -7.173 3 H3 MET 1 H3 MET 1 -10.267 12.615 -6.605 4 HA MET 1 HA MET 1 -7.438 12.645 -5.720 5 HB2 MET 1 HB2 MET 1 -8.143 13.452 -8.123 6 HB3 MET 1 HB3 MET 1 -8.793 14.840 -7.262 7 HG2 MET 1 HG2 MET 1 -5.939 13.922 -7.042 8 HG3 MET 1 HG3 MET 1 -6.498 15.135 -8.190 9 HE1 MET 1 HE1 MET 1 -4.678 16.805 -7.263 10 HE2 MET 1 HE2 MET 1 -4.135 15.624 -6.071 11 HE3 MET 1 HE3 MET 1 -4.531 17.267 -5.566 12 H GLU 2 H GLU 2 -10.675 13.998 -5.624 13 HA GLU 2 HA GLU 2 -10.247 15.777 -3.469 14 HB2 GLU 2 HB2 GLU 2 -12.796 15.427 -3.166 15 HB3 GLU 2 HB3 GLU 2 -12.223 16.184 -4.643 16 HG2 GLU 2 HG2 GLU 2 -12.762 13.237 -4.507 17 HG3 GLU 2 HG3 GLU 2 -14.048 14.401 -4.821 18 H ASN 3 H ASN 3 -10.362 15.479 -1.292 19 HA ASN 3 HA ASN 3 -9.687 12.873 -0.363 20 HB2 ASN 3 HB2 ASN 3 -8.732 14.909 0.627 21 HB3 ASN 3 HB3 ASN 3 -10.327 15.381 1.202 22 HD21 ASN 3 HD21 ASN 3 -7.684 13.138 1.589 23 HD22 ASN 3 HD22 ASN 3 -8.144 12.581 3.166 24 H SER 4 H SER 4 -11.201 11.367 -0.372 25 HA SER 4 HA SER 4 -13.288 11.451 1.554 26 HB2 SER 4 HB2 SER 4 -14.397 12.732 -0.265 27 HB3 SER 4 HB3 SER 4 -14.124 11.381 -1.362 28 HG SER 4 HG SER 4 -15.456 10.096 -0.027 29 H GLY 5 H GLY 5 -12.456 9.895 -1.541 30 HA2 GLY 5 HA2 GLY 5 -11.305 7.637 -1.064 31 HA3 GLY 5 HA3 GLY 5 -12.825 7.283 -0.251 32 H ALA 6 H ALA 6 -14.398 6.414 -1.385 33 HA ALA 6 HA ALA 6 -15.601 5.539 -3.090 34 HB1 ALA 6 HB1 ALA 6 -15.710 7.815 -4.002 35 HB2 ALA 6 HB2 ALA 6 -15.646 6.594 -5.273 36 HB3 ALA 6 HB3 ALA 6 -14.203 7.528 -4.874 37 H TYR 7 H TYR 7 -14.876 3.537 -3.132 38 HA TYR 7 HA TYR 7 -13.770 1.656 -3.724 39 HB2 TYR 7 HB2 TYR 7 -14.074 2.594 -6.064 40 HB3 TYR 7 HB3 TYR 7 -12.440 3.230 -5.937 41 HD1 TYR 7 HD2 TYR 7 -13.905 -0.064 -4.942 42 HD2 TYR 7 HD1 TYR 7 -11.085 2.013 -7.357 43 HE1 TYR 7 HE2 TYR 7 -13.028 -2.214 -5.754 44 HE2 TYR 7 HE1 TYR 7 -10.200 -0.130 -8.181 45 HH TYR 7 HH TYR 7 -10.102 -2.476 -7.487 46 H THR 8 H THR 8 -12.771 2.015 -1.693 47 HA THR 8 HA THR 8 -10.530 3.619 -1.251 48 HB THR 8 HB THR 8 -11.314 1.179 0.344 49 HG1 THR 8 HG1 THR 8 -12.541 3.662 0.002 50 HG21 THR 8 HG21 THR 8 -9.979 3.775 1.137 51 HG22 THR 8 HG22 THR 8 -9.196 2.198 1.019 52 HG23 THR 8 HG23 THR 8 -10.438 2.477 2.240 53 H PHE 9 H PHE 9 -8.397 3.272 -1.158 54 HA PHE 9 HA PHE 9 -7.033 1.541 -2.791 55 HB2 PHE 9 HB2 PHE 9 -6.023 3.502 -1.760 56 HB3 PHE 9 HB3 PHE 9 -6.130 2.757 -0.172 57 HD1 PHE 9 HD1 PHE 9 -4.512 2.430 -3.490 58 HD2 PHE 9 HD2 PHE 9 -4.408 1.421 0.642 59 HE1 PHE 9 HE1 PHE 9 -2.249 1.515 -3.774 60 HE2 PHE 9 HE2 PHE 9 -2.143 0.509 0.364 61 HZ PHE 9 HZ PHE 9 -1.061 0.556 -1.847 62 H GLU 10 H GLU 10 -7.753 1.070 0.649 63 HA GLU 10 HA GLU 10 -6.366 -1.362 0.952 64 HB2 GLU 10 HB2 GLU 10 -8.806 -0.449 2.497 65 HB3 GLU 10 HB3 GLU 10 -7.608 -1.620 3.024 66 HG2 GLU 10 HG2 GLU 10 -5.906 0.176 3.002 67 HG3 GLU 10 HG3 GLU 10 -7.180 1.327 2.601 68 H THR 11 H THR 11 -9.615 -0.609 -0.162 69 HA THR 11 HA THR 11 -10.638 -3.253 -0.109 70 HB THR 11 HB THR 11 -11.473 -0.920 -1.849 71 HG1 THR 11 HG1 THR 11 -12.498 -1.830 0.663 72 HG21 THR 11 HG21 THR 11 -12.959 -3.437 -1.084 73 HG22 THR 11 HG22 THR 11 -12.345 -3.039 -2.688 74 HG23 THR 11 HG23 THR 11 -13.639 -2.078 -1.975 75 H ILE 12 H ILE 12 -8.997 -1.307 -2.565 76 HA ILE 12 HA ILE 12 -9.190 -3.156 -4.686 77 HB ILE 12 HB ILE 12 -6.885 -1.252 -4.255 78 HG12 ILE 12 HG12 ILE 12 -9.581 -0.658 -5.501 79 HG13 ILE 12 HG13 ILE 12 -9.056 -0.091 -3.919 80 HG21 ILE 12 HG21 ILE 12 -6.650 -2.846 -6.101 81 HG22 ILE 12 HG22 ILE 12 -6.829 -1.196 -6.699 82 HG23 ILE 12 HG23 ILE 12 -8.195 -2.313 -6.763 83 HD11 ILE 12 HD11 ILE 12 -7.260 1.173 -4.971 84 HD12 ILE 12 HD12 ILE 12 -8.841 1.645 -5.592 85 HD13 ILE 12 HD13 ILE 12 -7.789 0.606 -6.554 86 H ALA 13 H ALA 13 -6.778 -2.660 -2.157 87 HA ALA 13 HA ALA 13 -4.995 -4.700 -2.936 88 HB1 ALA 13 HB1 ALA 13 -5.521 -3.586 -0.181 89 HB2 ALA 13 HB2 ALA 13 -4.374 -2.943 -1.359 90 HB3 ALA 13 HB3 ALA 13 -4.118 -4.542 -0.662 91 H ARG 14 H ARG 14 -7.871 -4.678 -0.915 92 HA ARG 14 HA ARG 14 -7.636 -7.275 0.149 93 HB2 ARG 14 HB2 ARG 14 -9.181 -5.691 1.110 94 HB3 ARG 14 HB3 ARG 14 -10.070 -5.576 -0.402 95 HG2 ARG 14 HG2 ARG 14 -10.597 -8.013 -0.169 96 HG3 ARG 14 HG3 ARG 14 -9.908 -7.933 1.453 97 HD2 ARG 14 HD2 ARG 14 -11.566 -6.388 2.161 98 HD3 ARG 14 HD3 ARG 14 -12.139 -6.149 0.512 99 HE ARG 14 HE ARG 14 -12.710 -8.637 0.641 100 HH11 ARG 14 HH11 ARG 14 -12.876 -6.445 3.382 101 HH12 ARG 14 HH12 ARG 14 -14.107 -7.368 4.199 102 HH21 ARG 14 HH21 ARG 14 -14.362 -9.815 1.701 103 HH22 ARG 14 HH22 ARG 14 -14.957 -9.262 3.235 104 H GLU 15 H GLU 15 -9.018 -6.058 -2.826 105 HA GLU 15 HA GLU 15 -10.551 -8.207 -3.627 106 HB2 GLU 15 HB2 GLU 15 -10.507 -6.041 -4.781 107 HB3 GLU 15 HB3 GLU 15 -8.892 -6.387 -5.380 108 HG2 GLU 15 HG2 GLU 15 -10.538 -6.758 -7.107 109 HG3 GLU 15 HG3 GLU 15 -9.764 -8.276 -6.657 110 H TRP 16 H TRP 16 -7.123 -7.640 -4.573 111 HA TRP 16 HA TRP 16 -6.970 -10.330 -5.591 112 HB2 TRP 16 HB2 TRP 16 -4.522 -9.801 -5.916 113 HB3 TRP 16 HB3 TRP 16 -5.647 -8.768 -6.782 114 HD1 TRP 16 HD1 TRP 16 -5.537 -6.215 -6.315 115 HE1 TRP 16 HE1 TRP 16 -4.061 -4.728 -4.825 116 HE3 TRP 16 HE3 TRP 16 -3.231 -9.854 -3.577 117 HZ2 TRP 16 HZ2 TRP 16 -2.157 -5.058 -2.758 118 HZ3 TRP 16 HZ3 TRP 16 -1.595 -9.190 -1.868 119 HH2 TRP 16 HH2 TRP 16 -1.076 -6.844 -1.468 120 H HIS 17 H HIS 17 -6.222 -8.734 -2.587 121 HA HIS 17 HA HIS 17 -4.630 -10.705 -1.405 122 HB2 HIS 17 HB2 HIS 17 -4.910 -8.583 -0.312 123 HB3 HIS 17 HB3 HIS 17 -6.648 -8.821 -0.178 124 HD1 HIS 17 HD1 HIS 17 -3.412 -10.261 1.185 125 HD2 HIS 17 HD2 HIS 17 -7.457 -10.010 2.130 126 HE1 HIS 17 HE1 HIS 17 -3.638 -11.253 3.486 127 HE2 HIS 17 HE2 HIS 17 -6.120 -11.275 3.946 128 H GLU 18 H GLU 18 -8.097 -10.622 -1.959 129 HA GLU 18 HA GLU 18 -8.674 -12.797 -0.203 130 HB2 GLU 18 HB2 GLU 18 -10.247 -11.519 -2.433 131 HB3 GLU 18 HB3 GLU 18 -10.863 -12.865 -1.480 132 HG2 GLU 18 HG2 GLU 18 -10.558 -11.499 0.562 133 HG3 GLU 18 HG3 GLU 18 -10.074 -10.144 -0.459 134 H SER 19 H SER 19 -7.024 -12.719 -3.083 135 HA SER 19 HA SER 19 -7.768 -15.408 -3.890 136 HB2 SER 19 HB2 SER 19 -5.497 -13.669 -4.884 137 HB3 SER 19 HB3 SER 19 -6.123 -15.127 -5.655 138 HG SER 19 HG SER 19 -6.949 -13.228 -6.620 139 H ASN 20 H ASN 20 -6.092 -14.133 -1.423 140 HA ASN 20 HA ASN 20 -4.061 -16.261 -1.344 141 HB2 ASN 20 HB2 ASN 20 -3.340 -13.840 -1.107 142 HB3 ASN 20 HB3 ASN 20 -4.231 -13.794 0.407 143 HD21 ASN 20 HD21 ASN 20 -1.493 -15.174 -1.265 144 HD22 ASN 20 HD22 ASN 20 -0.615 -15.638 0.155 145 H LYS 21 H LYS 21 -3.672 -16.566 1.332 146 HA LYS 21 HA LYS 21 -6.282 -17.644 2.164 147 HB2 LYS 21 HB2 LYS 21 -4.476 -19.268 1.443 148 HB3 LYS 21 HB3 LYS 21 -3.563 -18.759 2.851 149 HG2 LYS 21 HG2 LYS 21 -6.343 -19.770 3.202 150 HG3 LYS 21 HG3 LYS 21 -5.030 -20.910 2.918 151 HD2 LYS 21 HD2 LYS 21 -3.831 -20.007 4.847 152 HD3 LYS 21 HD3 LYS 21 -5.142 -18.860 5.129 153 HE2 LYS 21 HE2 LYS 21 -5.332 -20.773 6.621 154 HE3 LYS 21 HE3 LYS 21 -6.688 -20.718 5.498 155 HZ1 LYS 21 HZ1 LYS 21 -4.281 -22.413 5.102 156 HZ2 LYS 21 HZ2 LYS 21 -5.723 -22.455 4.207 157 HZ3 LYS 21 HZ3 LYS 21 -5.711 -22.959 5.825 158 H ARG 22 H ARG 22 -3.579 -15.677 3.131 159 HA ARG 22 HA ARG 22 -4.219 -16.009 5.951 160 HB2 ARG 22 HB2 ARG 22 -1.818 -15.866 4.786 161 HB3 ARG 22 HB3 ARG 22 -2.074 -14.147 5.072 162 HG2 ARG 22 HG2 ARG 22 -0.851 -15.126 6.914 163 HG3 ARG 22 HG3 ARG 22 -2.457 -14.628 7.460 164 HD2 ARG 22 HD2 ARG 22 -3.204 -16.990 7.040 165 HD3 ARG 22 HD3 ARG 22 -1.512 -17.407 6.794 166 HE ARG 22 HE ARG 22 -2.057 -16.104 9.317 167 HH11 ARG 22 HH11 ARG 22 -1.756 -19.111 7.573 168 HH12 ARG 22 HH12 ARG 22 -1.677 -20.097 9.005 169 HH21 ARG 22 HH21 ARG 22 -1.938 -17.388 11.225 170 HH22 ARG 22 HH22 ARG 22 -1.759 -19.104 11.080 171 H TRP 23 H TRP 23 -3.870 -13.885 7.210 172 HA TRP 23 HA TRP 23 -5.001 -12.117 8.021 173 HB2 TRP 23 HB2 TRP 23 -4.530 -10.972 5.269 174 HB3 TRP 23 HB3 TRP 23 -4.734 -10.079 6.776 175 HD1 TRP 23 HD1 TRP 23 -2.062 -10.499 4.644 176 HE1 TRP 23 HE1 TRP 23 0.207 -10.867 5.808 177 HE3 TRP 23 HE3 TRP 23 -3.742 -11.838 9.285 178 HZ2 TRP 23 HZ2 TRP 23 1.142 -11.642 8.352 179 HZ3 TRP 23 HZ3 TRP 23 -2.094 -12.385 11.022 180 HH2 TRP 23 HH2 TRP 23 0.294 -12.288 10.562 181 H SER 24 H SER 24 -6.973 -13.311 8.182 182 HA SER 24 HA SER 24 -9.118 -12.843 6.368 183 HB2 SER 24 HB2 SER 24 -9.421 -13.460 9.306 184 HB3 SER 24 HB3 SER 24 -10.446 -13.968 7.963 185 HG SER 24 HG SER 24 -9.239 -15.738 8.413 186 H GLU 25 H GLU 25 -11.202 -11.712 7.423 187 HA GLU 25 HA GLU 25 -10.576 -8.974 7.472 188 HB2 GLU 25 HB2 GLU 25 -13.103 -10.404 8.284 189 HB3 GLU 25 HB3 GLU 25 -12.962 -8.653 8.192 190 HG2 GLU 25 HG2 GLU 25 -12.280 -8.944 5.787 191 HG3 GLU 25 HG3 GLU 25 -12.733 -10.640 5.952 192 H ASP 26 H ASP 26 -11.363 -11.173 10.146 193 HA ASP 26 HA ASP 26 -11.384 -9.382 12.259 194 HB2 ASP 26 HB2 ASP 26 -10.325 -12.207 12.127 195 HB3 ASP 26 HB3 ASP 26 -10.432 -11.297 13.628 196 H HIS 27 H HIS 27 -8.633 -10.961 10.722 197 HA HIS 27 HA HIS 27 -6.695 -9.800 12.477 198 HB2 HIS 27 HB2 HIS 27 -6.391 -11.220 9.822 199 HB3 HIS 27 HB3 HIS 27 -5.041 -10.697 10.820 200 HD1 HIS 27 HD1 HIS 27 -4.290 -12.262 12.636 201 HD2 HIS 27 HD2 HIS 27 -7.999 -13.301 11.053 202 HE1 HIS 27 HE1 HIS 27 -4.846 -14.517 13.612 203 HE2 HIS 27 HE2 HIS 27 -7.130 -15.089 12.714 204 H ARG 28 H ARG 28 -8.149 -8.955 9.435 205 HA ARG 28 HA ARG 28 -6.269 -7.048 8.549 206 HB2 ARG 28 HB2 ARG 28 -8.194 -8.145 7.259 207 HB3 ARG 28 HB3 ARG 28 -9.242 -6.962 8.021 208 HG2 ARG 28 HG2 ARG 28 -6.845 -6.146 6.419 209 HG3 ARG 28 HG3 ARG 28 -8.400 -6.480 5.664 210 HD2 ARG 28 HD2 ARG 28 -9.065 -4.415 6.141 211 HD3 ARG 28 HD3 ARG 28 -8.859 -4.747 7.861 212 HE ARG 28 HE ARG 28 -6.404 -4.143 7.324 213 HH11 ARG 28 HH11 ARG 28 -9.255 -2.615 5.998 214 HH12 ARG 28 HH12 ARG 28 -8.463 -1.100 5.693 215 HH21 ARG 28 HH21 ARG 28 -5.348 -2.153 6.911 216 HH22 ARG 28 HH22 ARG 28 -6.231 -0.834 6.196 217 H SER 29 H SER 29 -9.139 -6.814 10.604 218 HA SER 29 HA SER 29 -9.089 -4.003 10.879 219 HB2 SER 29 HB2 SER 29 -10.249 -6.075 12.754 220 HB3 SER 29 HB3 SER 29 -10.663 -4.361 12.714 221 HG SER 29 HG SER 29 -11.867 -4.675 11.001 222 H ARG 30 H ARG 30 -7.511 -6.606 12.649 223 HA ARG 30 HA ARG 30 -6.626 -4.885 14.778 224 HB2 ARG 30 HB2 ARG 30 -7.025 -7.310 15.127 225 HB3 ARG 30 HB3 ARG 30 -5.673 -7.663 14.057 226 HG2 ARG 30 HG2 ARG 30 -4.164 -6.485 15.592 227 HG3 ARG 30 HG3 ARG 30 -5.524 -6.176 16.671 228 HD2 ARG 30 HD2 ARG 30 -5.852 -8.620 16.883 229 HD3 ARG 30 HD3 ARG 30 -4.408 -8.867 15.901 230 HE ARG 30 HE ARG 30 -3.663 -7.202 17.976 231 HH11 ARG 30 HH11 ARG 30 -4.856 -10.479 17.620 232 HH12 ARG 30 HH12 ARG 30 -4.128 -11.034 19.093 233 HH21 ARG 30 HH21 ARG 30 -2.720 -7.912 19.899 234 HH22 ARG 30 HH22 ARG 30 -2.911 -9.569 20.407 235 H VAL 31 H VAL 31 -5.203 -6.330 11.897 236 HA VAL 31 HA VAL 31 -2.539 -5.578 12.385 237 HB VAL 31 HB VAL 31 -3.382 -7.275 10.677 238 HG11 VAL 31 HG11 VAL 31 -4.964 -5.902 9.488 239 HG12 VAL 31 HG12 VAL 31 -3.699 -6.445 8.388 240 HG13 VAL 31 HG13 VAL 31 -3.682 -4.792 9.002 241 HG21 VAL 31 HG21 VAL 31 -1.459 -6.924 9.192 242 HG22 VAL 31 HG22 VAL 31 -1.037 -6.709 10.890 243 HG23 VAL 31 HG23 VAL 31 -1.258 -5.301 9.852 244 H LEU 32 H LEU 32 -5.217 -3.691 11.564 245 HA LEU 32 HA LEU 32 -4.249 -1.662 9.966 246 HB2 LEU 32 HB2 LEU 32 -6.584 -2.032 10.897 247 HB3 LEU 32 HB3 LEU 32 -6.034 -1.235 12.355 248 HG LEU 32 HG LEU 32 -7.365 0.147 10.668 249 HD11 LEU 32 HD11 LEU 32 -6.039 2.161 11.056 250 HD12 LEU 32 HD12 LEU 32 -4.681 1.164 11.578 251 HD13 LEU 32 HD13 LEU 32 -6.175 1.176 12.512 252 HD21 LEU 32 HD21 LEU 32 -6.245 -0.600 8.649 253 HD22 LEU 32 HD22 LEU 32 -4.721 0.080 9.222 254 HD23 LEU 32 HD23 LEU 32 -6.074 1.146 8.842 255 H ARG 33 H ARG 33 -3.613 -2.255 13.375 256 HA ARG 33 HA ARG 33 -2.385 0.249 13.931 257 HB2 ARG 33 HB2 ARG 33 -2.243 -2.456 15.244 258 HB3 ARG 33 HB3 ARG 33 -1.209 -1.141 15.779 259 HG2 ARG 33 HG2 ARG 33 -3.142 -1.259 17.193 260 HG3 ARG 33 HG3 ARG 33 -3.218 0.219 16.234 261 HD2 ARG 33 HD2 ARG 33 -4.522 -1.883 14.810 262 HD3 ARG 33 HD3 ARG 33 -5.153 -1.832 16.455 263 HE ARG 33 HE ARG 33 -5.020 0.776 15.349 264 HH11 ARG 33 HH11 ARG 33 -6.913 -2.172 15.247 265 HH12 ARG 33 HH12 ARG 33 -8.364 -1.373 14.725 266 HH21 ARG 33 HH21 ARG 33 -6.915 1.833 14.670 267 HH22 ARG 33 HH22 ARG 33 -8.372 0.908 14.392 268 H TYR 34 H TYR 34 -1.009 -2.938 13.163 269 HA TYR 34 HA TYR 34 1.668 -2.140 12.890 270 HB2 TYR 34 HB2 TYR 34 0.932 -4.489 13.038 271 HB3 TYR 34 HB3 TYR 34 0.174 -4.352 11.458 272 HD1 TYR 34 HD1 TYR 34 3.452 -4.247 13.191 273 HD2 TYR 34 HD2 TYR 34 1.407 -4.759 9.496 274 HE1 TYR 34 HE1 TYR 34 5.545 -4.990 12.143 275 HE2 TYR 34 HE2 TYR 34 3.501 -5.497 8.433 276 HH TYR 34 HH TYR 34 6.328 -6.235 10.283 277 H LEU 35 H LEU 35 -1.030 -2.118 10.682 278 HA LEU 35 HA LEU 35 0.135 -1.490 8.257 279 HB2 LEU 35 HB2 LEU 35 -2.309 -1.927 8.859 280 HB3 LEU 35 HB3 LEU 35 -2.400 -0.252 9.344 281 HG LEU 35 HG LEU 35 -3.371 -0.721 7.115 282 HD11 LEU 35 HD11 LEU 35 -2.614 1.526 7.648 283 HD12 LEU 35 HD12 LEU 35 -2.361 1.155 5.943 284 HD13 LEU 35 HD13 LEU 35 -0.998 1.132 7.062 285 HD21 LEU 35 HD21 LEU 35 -0.523 -1.330 6.353 286 HD22 LEU 35 HD22 LEU 35 -1.862 -1.124 5.224 287 HD23 LEU 35 HD23 LEU 35 -1.878 -2.462 6.373 288 H GLU 36 H GLU 36 -1.080 0.814 10.694 289 HA GLU 36 HA GLU 36 -0.379 3.139 9.360 290 HB2 GLU 36 HB2 GLU 36 -0.563 2.692 12.337 291 HB3 GLU 36 HB3 GLU 36 -0.585 4.259 11.537 292 HG2 GLU 36 HG2 GLU 36 -2.648 3.608 10.367 293 HG3 GLU 36 HG3 GLU 36 -2.633 2.073 11.234 294 H LEU 37 H LEU 37 1.666 1.057 11.281 295 HA LEU 37 HA LEU 37 3.693 3.134 11.529 296 HB2 LEU 37 HB2 LEU 37 3.332 0.436 12.764 297 HB3 LEU 37 HB3 LEU 37 4.910 1.193 12.775 298 HG LEU 37 HG LEU 37 3.850 1.633 14.872 299 HD11 LEU 37 HD11 LEU 37 3.747 4.091 13.138 300 HD12 LEU 37 HD12 LEU 37 5.170 3.449 13.958 301 HD13 LEU 37 HD13 LEU 37 3.816 4.074 14.900 302 HD21 LEU 37 HD21 LEU 37 1.536 1.275 14.273 303 HD22 LEU 37 HD22 LEU 37 1.538 2.738 13.287 304 HD23 LEU 37 HD23 LEU 37 1.719 2.856 15.039 305 H TYR 38 H TYR 38 3.260 0.030 9.880 306 HA TYR 38 HA TYR 38 5.983 0.356 8.796 307 HB2 TYR 38 HB2 TYR 38 4.406 -2.106 9.471 308 HB3 TYR 38 HB3 TYR 38 5.750 -2.173 8.339 309 HD1 TYR 38 HD1 TYR 38 4.834 -1.387 11.840 310 HD2 TYR 38 HD2 TYR 38 7.985 -2.180 9.094 311 HE1 TYR 38 HE1 TYR 38 6.409 -1.606 13.717 312 HE2 TYR 38 HE2 TYR 38 9.566 -2.396 10.961 313 HH TYR 38 HH TYR 38 9.795 -1.688 13.273 314 H ILE 39 H ILE 39 2.662 -0.482 7.922 315 HA ILE 39 HA ILE 39 3.504 -0.728 5.134 316 HB ILE 39 HB ILE 39 0.840 -1.532 6.304 317 HG12 ILE 39 HG12 ILE 39 2.596 -2.880 7.330 318 HG13 ILE 39 HG13 ILE 39 1.679 -3.843 6.181 319 HG21 ILE 39 HG21 ILE 39 2.168 -2.206 3.681 320 HG22 ILE 39 HG22 ILE 39 0.815 -1.096 3.907 321 HG23 ILE 39 HG23 ILE 39 0.608 -2.815 4.237 322 HD11 ILE 39 HD11 ILE 39 3.470 -3.588 4.536 323 HD12 ILE 39 HD12 ILE 39 4.042 -4.335 6.025 324 HD13 ILE 39 HD13 ILE 39 4.392 -2.637 5.702 325 H PHE 40 H PHE 40 3.490 1.123 4.269 326 HA PHE 40 HA PHE 40 2.926 3.191 3.489 327 HB2 PHE 40 HB2 PHE 40 0.112 2.952 4.511 328 HB3 PHE 40 HB3 PHE 40 0.699 3.779 3.079 329 HD1 PHE 40 HD2 PHE 40 1.905 1.967 1.364 330 HD2 PHE 40 HD1 PHE 40 -1.239 1.188 4.129 331 HE1 PHE 40 HE2 PHE 40 1.185 0.039 0.008 332 HE2 PHE 40 HE1 PHE 40 -1.959 -0.734 2.781 333 HZ PHE 40 HZ PHE 40 -0.757 -1.312 0.718 334 HA PRO 41 HA PRO 41 3.083 4.086 8.129 335 HB2 PRO 41 HB2 PRO 41 5.541 5.304 8.139 336 HB3 PRO 41 HB3 PRO 41 5.287 3.573 8.382 337 HG2 PRO 41 HG2 PRO 41 6.104 5.041 5.911 338 HG3 PRO 41 HG3 PRO 41 6.698 3.496 6.549 339 HD2 PRO 41 HD2 PRO 41 4.931 3.629 4.513 340 HD3 PRO 41 HD3 PRO 41 4.899 2.316 5.706 341 H HIS 42 H HIS 42 4.604 6.372 5.825 342 HA HIS 42 HA HIS 42 3.246 8.547 7.246 343 HB2 HIS 42 HB2 HIS 42 5.847 8.357 6.770 344 HB3 HIS 42 HB3 HIS 42 5.381 9.033 5.214 345 HD1 HIS 42 HD1 HIS 42 5.975 9.914 8.730 346 HD2 HIS 42 HD2 HIS 42 4.239 11.654 5.382 347 HE1 HIS 42 HE1 HIS 42 5.759 12.361 9.278 348 HE2 HIS 42 HE2 HIS 42 4.840 13.423 7.185 349 H ILE 43 H ILE 43 2.886 6.677 4.541 350 HA ILE 43 HA ILE 43 1.740 8.872 2.960 351 HB ILE 43 HB ILE 43 1.734 7.267 1.059 352 HG12 ILE 43 HG12 ILE 43 3.365 5.536 2.934 353 HG13 ILE 43 HG13 ILE 43 1.726 5.189 2.397 354 HG21 ILE 43 HG21 ILE 43 4.132 7.415 0.633 355 HG22 ILE 43 HG22 ILE 43 4.417 7.762 2.338 356 HG23 ILE 43 HG23 ILE 43 3.513 8.907 1.344 357 HD11 ILE 43 HD11 ILE 43 2.512 5.008 0.098 358 HD12 ILE 43 HD12 ILE 43 3.358 3.885 1.162 359 HD13 ILE 43 HD13 ILE 43 4.153 5.368 0.629 360 H GLY 44 H GLY 44 0.862 6.389 5.019 361 HA2 GLY 44 HA2 GLY 44 -1.609 5.643 3.736 362 HA3 GLY 44 HA3 GLY 44 -1.081 5.177 5.347 363 H SER 45 H SER 45 -1.249 8.475 4.225 364 HA SER 45 HA SER 45 -3.444 8.960 6.117 365 HB2 SER 45 HB2 SER 45 -1.332 10.189 6.563 366 HB3 SER 45 HB3 SER 45 -1.444 10.926 4.967 367 HG SER 45 HG SER 45 -3.590 11.694 5.751 368 H SER 46 H SER 46 -2.707 8.636 2.883 369 HA SER 46 HA SER 46 -5.129 10.098 2.106 370 HB2 SER 46 HB2 SER 46 -2.556 10.025 0.508 371 HB3 SER 46 HB3 SER 46 -4.037 10.879 0.070 372 HG SER 46 HG SER 46 -3.746 12.144 2.002 373 H ASP 47 H ASP 47 -6.409 9.075 0.614 374 HA ASP 47 HA ASP 47 -5.960 6.255 0.265 375 HB2 ASP 47 HB2 ASP 47 -8.191 6.901 0.776 376 HB3 ASP 47 HB3 ASP 47 -8.209 8.117 -0.495 377 H ILE 48 H ILE 48 -6.400 5.257 -1.935 378 HA ILE 48 HA ILE 48 -4.204 5.856 -3.538 379 HB ILE 48 HB ILE 48 -5.200 3.635 -3.429 380 HG12 ILE 48 HG12 ILE 48 -5.218 4.776 -6.232 381 HG13 ILE 48 HG13 ILE 48 -3.787 4.245 -5.355 382 HG21 ILE 48 HG21 ILE 48 -7.554 4.280 -3.362 383 HG22 ILE 48 HG22 ILE 48 -7.251 3.092 -4.633 384 HG23 ILE 48 HG23 ILE 48 -7.464 4.794 -5.047 385 HD11 ILE 48 HD11 ILE 48 -6.089 2.499 -6.194 386 HD12 ILE 48 HD12 ILE 48 -4.651 1.968 -5.322 387 HD13 ILE 48 HD13 ILE 48 -4.506 2.583 -6.968 388 H ARG 49 H ARG 49 -7.540 6.912 -3.849 389 HA ARG 49 HA ARG 49 -7.432 7.540 -6.604 390 HB2 ARG 49 HB2 ARG 49 -9.494 7.166 -5.223 391 HB3 ARG 49 HB3 ARG 49 -9.250 8.763 -4.531 392 HG2 ARG 49 HG2 ARG 49 -9.478 9.768 -6.730 393 HG3 ARG 49 HG3 ARG 49 -9.692 8.167 -7.444 394 HD2 ARG 49 HD2 ARG 49 -11.710 7.841 -6.108 395 HD3 ARG 49 HD3 ARG 49 -11.493 9.436 -5.384 396 HE ARG 49 HE ARG 49 -11.589 9.519 -8.245 397 HH11 ARG 49 HH11 ARG 49 -13.562 9.405 -5.360 398 HH12 ARG 49 HH12 ARG 49 -14.942 10.137 -6.119 399 HH21 ARG 49 HH21 ARG 49 -13.379 10.468 -9.256 400 HH22 ARG 49 HH22 ARG 49 -14.841 10.740 -8.351 401 H GLN 50 H GLN 50 -5.949 9.040 -4.005 402 HA GLN 50 HA GLN 50 -5.369 11.395 -5.646 403 HB2 GLN 50 HB2 GLN 50 -5.356 12.687 -3.370 404 HB3 GLN 50 HB3 GLN 50 -6.866 12.448 -4.236 405 HG2 GLN 50 HG2 GLN 50 -5.963 10.571 -2.082 406 HG3 GLN 50 HG3 GLN 50 -6.856 12.049 -1.724 407 HE21 GLN 50 HE21 GLN 50 -7.372 9.043 -1.692 408 HE22 GLN 50 HE22 GLN 50 -8.933 8.880 -2.420 409 H LEU 51 H LEU 51 -4.100 8.794 -4.592 410 HA LEU 51 HA LEU 51 -1.850 9.463 -3.077 411 HB2 LEU 51 HB2 LEU 51 -2.324 7.331 -5.133 412 HB3 LEU 51 HB3 LEU 51 -0.744 7.537 -4.404 413 HG LEU 51 HG LEU 51 -3.306 6.852 -2.965 414 HD11 LEU 51 HD11 LEU 51 -0.769 5.291 -3.431 415 HD12 LEU 51 HD12 LEU 51 -2.331 4.993 -4.194 416 HD13 LEU 51 HD13 LEU 51 -2.140 4.762 -2.454 417 HD21 LEU 51 HD21 LEU 51 -0.537 7.340 -1.874 418 HD22 LEU 51 HD22 LEU 51 -1.886 6.669 -0.961 419 HD23 LEU 51 HD23 LEU 51 -1.973 8.321 -1.574 420 H LYS 52 H LYS 52 0.415 9.490 -3.873 421 HA LYS 52 HA LYS 52 0.569 11.444 -6.062 422 HB2 LYS 52 HB2 LYS 52 2.299 11.122 -3.605 423 HB3 LYS 52 HB3 LYS 52 2.602 12.281 -4.893 424 HG2 LYS 52 HG2 LYS 52 0.669 13.516 -4.379 425 HG3 LYS 52 HG3 LYS 52 0.015 12.222 -3.376 426 HD2 LYS 52 HD2 LYS 52 1.813 12.573 -1.759 427 HD3 LYS 52 HD3 LYS 52 2.467 13.870 -2.762 428 HE2 LYS 52 HE2 LYS 52 0.520 15.208 -2.426 429 HE3 LYS 52 HE3 LYS 52 -0.334 13.874 -1.657 430 HZ1 LYS 52 HZ1 LYS 52 2.071 15.238 -0.560 431 HZ2 LYS 52 HZ2 LYS 52 1.223 13.968 0.178 432 HZ3 LYS 52 HZ3 LYS 52 0.473 15.473 -0.042 433 H THR 53 H THR 53 2.935 11.571 -6.903 434 HA THR 53 HA THR 53 3.519 9.071 -8.140 435 HB THR 53 HB THR 53 5.606 10.458 -8.932 436 HG1 THR 53 HG1 THR 53 3.817 12.525 -8.085 437 HG21 THR 53 HG21 THR 53 3.777 9.781 -10.376 438 HG22 THR 53 HG22 THR 53 4.215 11.460 -10.704 439 HG23 THR 53 HG23 THR 53 2.772 11.092 -9.758 440 H SER 54 H SER 54 6.359 9.287 -8.285 441 HA SER 54 HA SER 54 6.955 7.330 -6.396 442 HB2 SER 54 HB2 SER 54 8.952 8.963 -7.952 443 HB3 SER 54 HB3 SER 54 9.117 7.299 -7.391 444 HG SER 54 HG SER 54 8.548 7.218 -9.535 445 H HIS 55 H HIS 55 6.615 10.489 -5.611 446 HA HIS 55 HA HIS 55 8.803 10.968 -3.877 447 HB2 HIS 55 HB2 HIS 55 5.936 11.929 -3.660 448 HB3 HIS 55 HB3 HIS 55 7.291 12.565 -2.731 449 HD1 HIS 55 HD1 HIS 55 8.772 14.285 -3.853 450 HD2 HIS 55 HD2 HIS 55 5.982 12.580 -6.424 451 HE1 HIS 55 HE1 HIS 55 8.842 15.678 -5.951 452 HE2 HIS 55 HE2 HIS 55 7.173 14.610 -7.513 453 H LEU 56 H LEU 56 5.937 9.049 -3.691 454 HA LEU 56 HA LEU 56 5.818 8.684 -0.894 455 HB2 LEU 56 HB2 LEU 56 4.139 7.176 -1.265 456 HB3 LEU 56 HB3 LEU 56 4.076 8.113 -2.742 457 HG LEU 56 HG LEU 56 5.454 5.435 -2.487 458 HD11 LEU 56 HD11 LEU 56 3.524 4.541 -3.709 459 HD12 LEU 56 HD12 LEU 56 2.729 6.110 -3.590 460 HD13 LEU 56 HD13 LEU 56 3.070 5.181 -2.130 461 HD21 LEU 56 HD21 LEU 56 4.697 7.055 -4.919 462 HD22 LEU 56 HD22 LEU 56 5.457 5.461 -4.922 463 HD23 LEU 56 HD23 LEU 56 6.328 6.854 -4.281 464 H LEU 57 H LEU 57 8.055 7.547 -3.156 465 HA LEU 57 HA LEU 57 8.702 5.033 -2.006 466 HB2 LEU 57 HB2 LEU 57 9.296 5.606 -4.295 467 HB3 LEU 57 HB3 LEU 57 10.327 6.903 -3.728 468 HG LEU 57 HG LEU 57 11.796 5.221 -2.645 469 HD11 LEU 57 HD11 LEU 57 10.030 3.241 -4.072 470 HD12 LEU 57 HD12 LEU 57 10.156 3.450 -2.325 471 HD13 LEU 57 HD13 LEU 57 11.543 2.866 -3.246 472 HD21 LEU 57 HD21 LEU 57 11.331 4.806 -5.598 473 HD22 LEU 57 HD22 LEU 57 12.803 4.403 -4.713 474 HD23 LEU 57 HD23 LEU 57 12.305 6.086 -4.876 475 H ALA 58 H ALA 58 9.349 8.251 -1.034 476 HA ALA 58 HA ALA 58 11.876 8.019 0.120 477 HB1 ALA 58 HB1 ALA 58 10.737 10.154 -0.239 478 HB2 ALA 58 HB2 ALA 58 11.327 9.988 1.416 479 HB3 ALA 58 HB3 ALA 58 9.613 9.767 1.065 480 HA PRO 59 HA PRO 59 9.879 6.758 4.338 481 HB2 PRO 59 HB2 PRO 59 7.327 5.809 4.287 482 HB3 PRO 59 HB3 PRO 59 7.758 7.482 4.631 483 HG2 PRO 59 HG2 PRO 59 6.787 6.279 2.083 484 HG3 PRO 59 HG3 PRO 59 6.334 7.816 2.839 485 HD2 PRO 59 HD2 PRO 59 8.077 7.680 0.785 486 HD3 PRO 59 HD3 PRO 59 8.215 8.900 2.069 487 H ILE 60 H ILE 60 9.184 5.100 1.366 488 HA ILE 60 HA ILE 60 9.376 2.476 2.558 489 HB ILE 60 HB ILE 60 9.295 3.468 -0.291 490 HG12 ILE 60 HG12 ILE 60 7.310 1.935 -0.381 491 HG13 ILE 60 HG13 ILE 60 7.526 1.631 1.337 492 HG21 ILE 60 HG21 ILE 60 9.422 1.147 -1.083 493 HG22 ILE 60 HG22 ILE 60 9.830 0.625 0.550 494 HG23 ILE 60 HG23 ILE 60 10.923 1.688 -0.334 495 HD11 ILE 60 HD11 ILE 60 6.888 4.280 0.064 496 HD12 ILE 60 HD12 ILE 60 7.135 4.005 1.787 497 HD13 ILE 60 HD13 ILE 60 5.774 3.247 0.959 498 H LYS 61 H LYS 61 11.486 4.908 1.318 499 HA LYS 61 HA LYS 61 13.742 3.193 0.913 500 HB2 LYS 61 HB2 LYS 61 13.168 5.859 0.335 501 HB3 LYS 61 HB3 LYS 61 14.464 5.935 1.521 502 HG2 LYS 61 HG2 LYS 61 14.500 4.471 -1.108 503 HG3 LYS 61 HG3 LYS 61 15.420 5.914 -0.676 504 HD2 LYS 61 HD2 LYS 61 16.722 4.692 0.914 505 HD3 LYS 61 HD3 LYS 61 15.686 3.272 0.749 506 HE2 LYS 61 HE2 LYS 61 16.399 3.080 -1.612 507 HE3 LYS 61 HE3 LYS 61 17.502 4.435 -1.358 508 HZ1 LYS 61 HZ1 LYS 61 18.627 2.299 -1.158 509 HZ2 LYS 61 HZ2 LYS 61 17.593 1.847 0.112 510 HZ3 LYS 61 HZ3 LYS 61 18.667 3.147 0.310 511 H GLU 62 H GLU 62 12.585 5.207 3.577 512 HA GLU 62 HA GLU 62 14.856 4.838 5.207 513 HB2 GLU 62 HB2 GLU 62 13.473 5.706 7.011 514 HB3 GLU 62 HB3 GLU 62 13.286 6.671 5.562 515 HG2 GLU 62 HG2 GLU 62 11.163 5.590 5.099 516 HG3 GLU 62 HG3 GLU 62 11.360 4.574 6.526 517 H VAL 63 H VAL 63 11.852 2.986 4.823 518 HA VAL 63 HA VAL 63 12.503 1.197 6.972 519 HB VAL 63 HB VAL 63 10.657 -0.221 6.140 520 HG11 VAL 63 HG11 VAL 63 9.992 2.703 6.404 521 HG12 VAL 63 HG12 VAL 63 10.182 1.543 7.720 522 HG13 VAL 63 HG13 VAL 63 8.848 1.373 6.582 523 HG21 VAL 63 HG21 VAL 63 10.384 1.859 3.985 524 HG22 VAL 63 HG22 VAL 63 9.227 0.569 4.322 525 HG23 VAL 63 HG23 VAL 63 10.851 0.172 3.762 526 H ASP 64 H ASP 64 13.034 1.291 3.521 527 HA ASP 64 HA ASP 64 14.143 -1.255 3.137 528 HB2 ASP 64 HB2 ASP 64 13.788 -0.086 1.162 529 HB3 ASP 64 HB3 ASP 64 14.430 1.417 1.812 530 H THR 65 H THR 65 15.628 1.796 4.160 531 HA THR 65 HA THR 65 18.222 0.593 4.511 532 HB THR 65 HB THR 65 17.272 3.298 5.476 533 HG1 THR 65 HG1 THR 65 17.088 2.693 3.092 534 HG21 THR 65 HG21 THR 65 19.627 3.916 5.307 535 HG22 THR 65 HG22 THR 65 20.029 2.284 4.776 536 HG23 THR 65 HG23 THR 65 19.422 2.554 6.408 537 H SER 66 H SER 66 15.392 0.765 6.352 538 HA SER 66 HA SER 66 16.534 0.790 8.963 539 HB2 SER 66 HB2 SER 66 14.164 1.411 8.495 540 HB3 SER 66 HB3 SER 66 13.835 -0.270 8.082 541 HG SER 66 HG SER 66 14.595 0.798 10.602 542 H GLY 67 H GLY 67 16.121 -1.615 6.531 543 HA2 GLY 67 HA2 GLY 67 17.691 -3.541 6.986 544 HA3 GLY 67 HA3 GLY 67 16.790 -3.725 8.484 545 H LYS 68 H LYS 68 14.254 -3.044 7.182 546 HA LYS 68 HA LYS 68 13.700 -5.710 6.153 547 HB2 LYS 68 HB2 LYS 68 11.291 -4.987 6.428 548 HB3 LYS 68 HB3 LYS 68 12.234 -5.059 7.908 549 HG2 LYS 68 HG2 LYS 68 12.489 -2.434 6.929 550 HG3 LYS 68 HG3 LYS 68 10.784 -2.867 6.790 551 HD2 LYS 68 HD2 LYS 68 11.162 -1.884 8.960 552 HD3 LYS 68 HD3 LYS 68 10.830 -3.607 9.162 553 HE2 LYS 68 HE2 LYS 68 13.233 -4.045 9.345 554 HE3 LYS 68 HE3 LYS 68 13.560 -2.324 9.152 555 HZ1 LYS 68 HZ1 LYS 68 12.189 -3.663 11.416 556 HZ2 LYS 68 HZ2 LYS 68 12.173 -1.983 11.195 557 HZ3 LYS 68 HZ3 LYS 68 13.643 -2.786 11.446 558 H HIS 69 H HIS 69 15.117 -4.519 4.340 559 HA HIS 69 HA HIS 69 13.720 -2.845 2.518 560 HB2 HIS 69 HB2 HIS 69 15.610 -3.044 1.083 561 HB3 HIS 69 HB3 HIS 69 16.226 -3.010 2.728 562 HD1 HIS 69 HD1 HIS 69 16.526 -4.804 -0.364 563 HD2 HIS 69 HD2 HIS 69 16.875 -5.770 3.669 564 HE1 HIS 69 HE1 HIS 69 17.824 -6.962 -0.289 565 HE2 HIS 69 HE2 HIS 69 17.934 -7.584 2.155 566 H ASP 70 H ASP 70 13.726 -6.224 3.057 567 HA ASP 70 HA ASP 70 12.918 -7.073 0.461 568 HB2 ASP 70 HB2 ASP 70 12.314 -9.177 1.530 569 HB3 ASP 70 HB3 ASP 70 13.860 -8.624 2.166 570 H VAL 71 H VAL 71 11.223 -6.170 3.414 571 HA VAL 71 HA VAL 71 8.600 -6.611 2.476 572 HB VAL 71 HB VAL 71 9.490 -4.591 4.545 573 HG11 VAL 71 HG11 VAL 71 7.250 -4.915 5.483 574 HG12 VAL 71 HG12 VAL 71 6.853 -5.998 4.150 575 HG13 VAL 71 HG13 VAL 71 7.184 -4.295 3.834 576 HG21 VAL 71 HG21 VAL 71 10.383 -6.829 5.036 577 HG22 VAL 71 HG22 VAL 71 8.746 -7.484 4.959 578 HG23 VAL 71 HG23 VAL 71 9.172 -6.321 6.214 579 H ALA 72 H ALA 72 10.668 -3.748 2.576 580 HA ALA 72 HA ALA 72 8.938 -1.870 1.492 581 HB1 ALA 72 HB1 ALA 72 11.917 -2.070 1.071 582 HB2 ALA 72 HB2 ALA 72 11.126 -1.345 2.470 583 HB3 ALA 72 HB3 ALA 72 10.929 -0.622 0.873 584 H GLN 73 H GLN 73 11.241 -3.987 -0.195 585 HA GLN 73 HA GLN 73 10.742 -3.200 -2.818 586 HB2 GLN 73 HB2 GLN 73 12.436 -4.915 -1.763 587 HB3 GLN 73 HB3 GLN 73 11.185 -6.084 -2.144 588 HG2 GLN 73 HG2 GLN 73 12.714 -6.103 -3.932 589 HG3 GLN 73 HG3 GLN 73 11.274 -5.269 -4.511 590 HE21 GLN 73 HE21 GLN 73 11.418 -3.130 -5.112 591 HE22 GLN 73 HE22 GLN 73 12.902 -2.250 -5.127 592 H ARG 74 H ARG 74 9.238 -5.782 -0.926 593 HA ARG 74 HA ARG 74 7.348 -6.655 -2.779 594 HB2 ARG 74 HB2 ARG 74 7.263 -6.586 0.233 595 HB3 ARG 74 HB3 ARG 74 6.009 -7.343 -0.736 596 HG2 ARG 74 HG2 ARG 74 8.918 -8.110 -0.759 597 HG3 ARG 74 HG3 ARG 74 7.639 -8.956 0.117 598 HD2 ARG 74 HD2 ARG 74 6.490 -9.362 -2.032 599 HD3 ARG 74 HD3 ARG 74 7.835 -8.593 -2.872 600 HE ARG 74 HE ARG 74 8.819 -10.655 -1.237 601 HH11 ARG 74 HH11 ARG 74 6.903 -10.216 -4.135 602 HH12 ARG 74 HH12 ARG 74 7.415 -11.713 -4.855 603 HH21 ARG 74 HH21 ARG 74 9.458 -12.634 -2.142 604 HH22 ARG 74 HH22 ARG 74 8.875 -13.095 -3.715 605 H LEU 75 H LEU 75 7.152 -3.981 -0.450 606 HA LEU 75 HA LEU 75 4.431 -3.404 -0.774 607 HB2 LEU 75 HB2 LEU 75 6.769 -2.019 0.325 608 HB3 LEU 75 HB3 LEU 75 5.541 -0.939 -0.304 609 HG LEU 75 HG LEU 75 5.210 -1.288 2.072 610 HD11 LEU 75 HD11 LEU 75 3.119 -2.689 0.418 611 HD12 LEU 75 HD12 LEU 75 3.239 -0.951 0.691 612 HD13 LEU 75 HD13 LEU 75 2.882 -2.034 2.038 613 HD21 LEU 75 HD21 LEU 75 4.908 -4.214 1.405 614 HD22 LEU 75 HD22 LEU 75 4.644 -3.473 2.987 615 HD23 LEU 75 HD23 LEU 75 6.259 -3.487 2.277 616 H GLN 76 H GLN 76 7.241 -2.275 -2.599 617 HA GLN 76 HA GLN 76 5.906 -0.415 -4.241 618 HB2 GLN 76 HB2 GLN 76 8.129 -2.086 -5.345 619 HB3 GLN 76 HB3 GLN 76 7.834 -0.363 -5.532 620 HG2 GLN 76 HG2 GLN 76 8.352 -0.237 -3.026 621 HG3 GLN 76 HG3 GLN 76 9.064 -1.826 -3.243 622 HE21 GLN 76 HE21 GLN 76 9.102 0.702 -5.665 623 HE22 GLN 76 HE22 GLN 76 10.807 0.974 -5.617 624 H GLN 77 H GLN 77 6.625 -3.819 -4.650 625 HA GLN 77 HA GLN 77 5.408 -4.139 -7.180 626 HB2 GLN 77 HB2 GLN 77 5.931 -6.160 -4.996 627 HB3 GLN 77 HB3 GLN 77 5.419 -6.573 -6.628 628 HG2 GLN 77 HG2 GLN 77 7.448 -5.618 -7.539 629 HG3 GLN 77 HG3 GLN 77 7.953 -5.105 -5.930 630 HE21 GLN 77 HE21 GLN 77 8.683 -6.633 -4.468 631 HE22 GLN 77 HE22 GLN 77 9.179 -8.217 -4.958 632 H ARG 78 H ARG 78 4.170 -4.581 -3.893 633 HA ARG 78 HA ARG 78 1.641 -5.584 -4.504 634 HB2 ARG 78 HB2 ARG 78 2.636 -3.888 -2.221 635 HB3 ARG 78 HB3 ARG 78 0.956 -4.397 -2.322 636 HG2 ARG 78 HG2 ARG 78 1.613 -6.720 -2.237 637 HG3 ARG 78 HG3 ARG 78 3.319 -6.265 -2.270 638 HD2 ARG 78 HD2 ARG 78 3.143 -5.205 -0.126 639 HD3 ARG 78 HD3 ARG 78 1.391 -5.411 -0.116 640 HE ARG 78 HE ARG 78 1.769 -7.814 0.091 641 HH11 ARG 78 HH11 ARG 78 4.447 -5.686 0.844 642 HH12 ARG 78 HH12 ARG 78 5.276 -6.861 1.821 643 HH21 ARG 78 HH21 ARG 78 2.864 -9.364 1.401 644 HH22 ARG 78 HH22 ARG 78 4.370 -8.928 2.146 645 H VAL 79 H VAL 79 2.618 -2.172 -4.026 646 HA VAL 79 HA VAL 79 0.029 -1.172 -4.578 647 HB VAL 79 HB VAL 79 1.033 1.048 -4.736 648 HG11 VAL 79 HG11 VAL 79 0.557 0.167 -2.541 649 HG12 VAL 79 HG12 VAL 79 2.023 1.144 -2.488 650 HG13 VAL 79 HG13 VAL 79 2.136 -0.617 -2.481 651 HG21 VAL 79 HG21 VAL 79 3.442 1.379 -4.457 652 HG22 VAL 79 HG22 VAL 79 3.075 0.500 -5.942 653 HG23 VAL 79 HG23 VAL 79 3.687 -0.367 -4.533 654 H THR 80 H THR 80 2.778 -1.896 -6.638 655 HA THR 80 HA THR 80 1.977 -0.549 -8.954 656 HB THR 80 HB THR 80 3.445 -3.187 -8.740 657 HG1 THR 80 HG1 THR 80 4.526 -1.456 -7.687 658 HG21 THR 80 HG21 THR 80 3.306 -1.226 -11.035 659 HG22 THR 80 HG22 THR 80 2.549 -2.819 -10.994 660 HG23 THR 80 HG23 THR 80 4.307 -2.678 -10.973 661 H ALA 81 H ALA 81 1.175 -3.821 -7.803 662 HA ALA 81 HA ALA 81 -0.486 -4.520 -9.984 663 HB1 ALA 81 HB1 ALA 81 -1.343 -6.276 -8.498 664 HB2 ALA 81 HB2 ALA 81 -0.516 -5.518 -7.138 665 HB3 ALA 81 HB3 ALA 81 0.417 -6.194 -8.472 666 H ILE 82 H ILE 82 -1.112 -3.017 -6.855 667 HA ILE 82 HA ILE 82 -3.907 -2.925 -6.964 668 HB ILE 82 HB ILE 82 -2.017 -0.967 -5.643 669 HG12 ILE 82 HG12 ILE 82 -3.463 -3.374 -4.513 670 HG13 ILE 82 HG13 ILE 82 -1.754 -3.327 -4.929 671 HG21 ILE 82 HG21 ILE 82 -4.962 -1.441 -5.182 672 HG22 ILE 82 HG22 ILE 82 -4.225 0.007 -5.868 673 HG23 ILE 82 HG23 ILE 82 -3.924 -0.421 -4.184 674 HD11 ILE 82 HD11 ILE 82 -2.085 -3.069 -2.544 675 HD12 ILE 82 HD12 ILE 82 -3.104 -1.655 -2.823 676 HD13 ILE 82 HD13 ILE 82 -1.390 -1.606 -3.241 677 H MET 83 H MET 83 -1.472 -0.667 -8.194 678 HA MET 83 HA MET 83 -3.110 1.430 -8.995 679 HB2 MET 83 HB2 MET 83 -0.681 0.360 -10.450 680 HB3 MET 83 HB3 MET 83 -1.410 1.934 -10.715 681 HG2 MET 83 HG2 MET 83 -0.074 0.998 -8.188 682 HG3 MET 83 HG3 MET 83 0.601 2.103 -9.380 683 HE1 MET 83 HE1 MET 83 -2.111 3.083 -5.908 684 HE2 MET 83 HE2 MET 83 -0.767 1.944 -6.009 685 HE3 MET 83 HE3 MET 83 -2.303 1.566 -6.787 686 H ARG 84 H ARG 84 -2.168 -1.461 -10.813 687 HA ARG 84 HA ARG 84 -3.403 -0.778 -13.222 688 HB2 ARG 84 HB2 ARG 84 -1.719 -2.508 -13.106 689 HB3 ARG 84 HB3 ARG 84 -2.748 -3.500 -12.081 690 HG2 ARG 84 HG2 ARG 84 -4.118 -4.122 -13.826 691 HG3 ARG 84 HG3 ARG 84 -3.712 -2.702 -14.792 692 HD2 ARG 84 HD2 ARG 84 -1.783 -4.938 -14.176 693 HD3 ARG 84 HD3 ARG 84 -2.747 -4.841 -15.650 694 HE ARG 84 HE ARG 84 -1.266 -2.444 -15.214 695 HH11 ARG 84 HH11 ARG 84 -0.893 -5.756 -16.317 696 HH12 ARG 84 HH12 ARG 84 0.425 -5.375 -17.390 697 HH21 ARG 84 HH21 ARG 84 0.435 -1.942 -16.620 698 HH22 ARG 84 HH22 ARG 84 1.161 -3.190 -17.587 699 H TYR 85 H TYR 85 -4.671 -2.696 -10.497 700 HA TYR 85 HA TYR 85 -7.135 -3.286 -11.779 701 HB2 TYR 85 HB2 TYR 85 -6.268 -3.359 -8.895 702 HB3 TYR 85 HB3 TYR 85 -7.901 -3.792 -9.395 703 HD1 TYR 85 HD2 TYR 85 -8.196 -5.688 -11.031 704 HD2 TYR 85 HD1 TYR 85 -4.498 -4.910 -9.084 705 HE1 TYR 85 HE2 TYR 85 -7.444 -7.967 -11.564 706 HE2 TYR 85 HE1 TYR 85 -3.733 -7.185 -9.612 707 HH TYR 85 HH TYR 85 -5.448 -9.244 -11.792 708 H ALA 86 H ALA 86 -6.047 -0.634 -9.756 709 HA ALA 86 HA ALA 86 -8.613 0.517 -9.341 710 HB1 ALA 86 HB1 ALA 86 -7.386 2.505 -8.629 711 HB2 ALA 86 HB2 ALA 86 -5.893 1.817 -9.267 712 HB3 ALA 86 HB3 ALA 86 -6.710 1.044 -7.909 713 H VAL 87 H VAL 87 -6.111 0.919 -11.792 714 HA VAL 87 HA VAL 87 -7.301 3.081 -13.166 715 HB VAL 87 HB VAL 87 -5.451 0.925 -14.210 716 HG11 VAL 87 HG11 VAL 87 -6.659 1.975 -16.051 717 HG12 VAL 87 HG12 VAL 87 -4.966 2.465 -16.054 718 HG13 VAL 87 HG13 VAL 87 -6.201 3.571 -15.454 719 HG21 VAL 87 HG21 VAL 87 -4.906 3.729 -13.245 720 HG22 VAL 87 HG22 VAL 87 -3.714 2.646 -13.966 721 HG23 VAL 87 HG23 VAL 87 -4.463 2.234 -12.422 722 H GLN 88 H GLN 88 -7.641 -0.423 -13.461 723 HA GLN 88 HA GLN 88 -9.188 -0.438 -15.808 724 HB2 GLN 88 HB2 GLN 88 -9.118 -2.394 -13.510 725 HB3 GLN 88 HB3 GLN 88 -9.960 -2.687 -15.027 726 HG2 GLN 88 HG2 GLN 88 -6.998 -2.317 -14.624 727 HG3 GLN 88 HG3 GLN 88 -7.836 -3.802 -15.064 728 HE21 GLN 88 HE21 GLN 88 -5.696 -2.340 -16.427 729 HE22 GLN 88 HE22 GLN 88 -6.287 -2.005 -18.014 730 H ASN 89 H ASN 89 -10.056 0.065 -12.453 731 HA ASN 89 HA ASN 89 -12.877 -0.138 -12.993 732 HB2 ASN 89 HB2 ASN 89 -11.439 -0.580 -10.758 733 HB3 ASN 89 HB3 ASN 89 -11.941 1.083 -10.460 734 HD21 ASN 89 HD21 ASN 89 -14.414 0.824 -11.927 735 HD22 ASN 89 HD22 ASN 89 -15.467 -0.143 -10.959 736 H ASP 90 H ASP 90 -10.581 2.198 -13.503 737 HA ASP 90 HA ASP 90 -10.669 4.357 -14.194 738 HB2 ASP 90 HB2 ASP 90 -13.543 3.550 -14.504 739 HB3 ASP 90 HB3 ASP 90 -13.049 5.209 -14.814 740 H TYR 91 H TYR 91 -10.951 3.747 -11.286 741 HA TYR 91 HA TYR 91 -12.642 5.933 -10.370 742 HB2 TYR 91 HB2 TYR 91 -11.372 3.595 -9.062 743 HB3 TYR 91 HB3 TYR 91 -11.618 5.031 -8.073 744 HD1 TYR 91 HD1 TYR 91 -13.969 6.032 -8.019 745 HD2 TYR 91 HD2 TYR 91 -13.144 2.109 -9.433 746 HE1 TYR 91 HE1 TYR 91 -16.320 5.419 -7.666 747 HE2 TYR 91 HE2 TYR 91 -15.497 1.484 -9.089 748 HH TYR 91 HH TYR 91 -17.407 2.260 -7.621 749 H ILE 92 H ILE 92 -9.212 4.988 -10.046 750 HA ILE 92 HA ILE 92 -8.533 7.343 -8.608 751 HB ILE 92 HB ILE 92 -6.188 6.715 -8.974 752 HG12 ILE 92 HG12 ILE 92 -7.306 4.427 -10.613 753 HG13 ILE 92 HG13 ILE 92 -6.454 5.818 -11.278 754 HG21 ILE 92 HG21 ILE 92 -6.287 4.550 -7.806 755 HG22 ILE 92 HG22 ILE 92 -8.009 4.454 -8.171 756 HG23 ILE 92 HG23 ILE 92 -7.399 5.740 -7.130 757 HD11 ILE 92 HD11 ILE 92 -4.446 5.181 -10.070 758 HD12 ILE 92 HD12 ILE 92 -5.006 3.868 -11.104 759 HD13 ILE 92 HD13 ILE 92 -5.294 3.804 -9.364 760 H ASP 93 H ASP 93 -8.794 6.606 -11.959 761 HA ASP 93 HA ASP 93 -8.827 7.907 -13.812 762 HB2 ASP 93 HB2 ASP 93 -9.906 9.616 -12.382 763 HB3 ASP 93 HB3 ASP 93 -8.314 10.242 -11.962 764 H SER 94 H SER 94 -6.325 9.239 -11.668 765 HA SER 94 HA SER 94 -4.510 9.609 -13.876 766 HB2 SER 94 HB2 SER 94 -4.039 9.953 -10.905 767 HB3 SER 94 HB3 SER 94 -3.021 10.570 -12.207 768 HG SER 94 HG SER 94 -5.093 11.660 -12.897 769 H ASN 95 H ASN 95 -2.171 8.850 -13.505 770 HA ASN 95 HA ASN 95 -2.208 6.044 -12.598 771 HB2 ASN 95 HB2 ASN 95 -0.962 7.289 -15.029 772 HB3 ASN 95 HB3 ASN 95 -0.276 5.825 -14.334 773 HD21 ASN 95 HD21 ASN 95 -1.443 3.921 -14.400 774 HD22 ASN 95 HD22 ASN 95 -2.797 3.714 -15.459 775 HA PRO 96 HA PRO 96 1.142 8.033 -10.188 776 HB2 PRO 96 HB2 PRO 96 0.552 6.918 -7.817 777 HB3 PRO 96 HB3 PRO 96 -0.290 8.357 -8.404 778 HG2 PRO 96 HG2 PRO 96 -1.195 5.506 -8.399 779 HG3 PRO 96 HG3 PRO 96 -2.121 6.977 -8.058 780 HD2 PRO 96 HD2 PRO 96 -2.151 5.636 -10.465 781 HD3 PRO 96 HD3 PRO 96 -2.560 7.349 -10.264 782 H ALA 97 H ALA 97 2.645 6.726 -8.557 783 HA ALA 97 HA ALA 97 4.348 5.213 -8.502 784 HB1 ALA 97 HB1 ALA 97 2.569 3.921 -7.431 785 HB2 ALA 97 HB2 ALA 97 3.671 2.878 -8.331 786 HB3 ALA 97 HB3 ALA 97 2.088 3.276 -9.000 787 H SER 98 H SER 98 3.674 6.362 -11.149 788 HA SER 98 HA SER 98 3.727 4.479 -13.203 789 HB2 SER 98 HB2 SER 98 5.097 7.020 -13.767 790 HB3 SER 98 HB3 SER 98 3.655 6.325 -14.514 791 HG SER 98 HG SER 98 2.402 7.323 -13.088 792 H ASP 99 H ASP 99 6.431 6.601 -12.305 793 HA ASP 99 HA ASP 99 8.300 4.425 -12.976 794 HB2 ASP 99 HB2 ASP 99 8.416 6.579 -14.326 795 HB3 ASP 99 HB3 ASP 99 8.924 7.386 -12.848 796 H MET 100 H MET 100 7.561 3.755 -10.788 797 HA MET 100 HA MET 100 8.503 5.408 -8.566 798 HB2 MET 100 HB2 MET 100 6.146 4.596 -8.648 799 HB3 MET 100 HB3 MET 100 6.741 2.949 -8.547 800 HG2 MET 100 HG2 MET 100 7.439 4.931 -6.429 801 HG3 MET 100 HG3 MET 100 5.860 4.152 -6.435 802 HE1 MET 100 HE1 MET 100 7.684 3.896 -3.936 803 HE2 MET 100 HE2 MET 100 7.605 2.169 -3.597 804 HE3 MET 100 HE3 MET 100 6.151 3.035 -4.098 805 H ALA 101 H ALA 101 8.991 2.273 -10.052 806 HA ALA 101 HA ALA 101 10.962 1.587 -7.976 807 HB1 ALA 101 HB1 ALA 101 9.621 -0.182 -10.020 808 HB2 ALA 101 HB2 ALA 101 9.226 -0.092 -8.304 809 HB3 ALA 101 HB3 ALA 101 10.795 -0.712 -8.816 810 H GLY 102 H GLY 102 12.883 2.403 -8.556 811 HA2 GLY 102 HA2 GLY 102 14.205 1.351 -10.860 812 HA3 GLY 102 HA3 GLY 102 13.811 3.054 -11.058 813 H ALA 103 H ALA 103 16.349 1.454 -10.692 814 HA ALA 103 HA ALA 103 18.408 1.745 -9.815 815 HB1 ALA 103 HB1 ALA 103 19.050 3.962 -9.059 816 HB2 ALA 103 HB2 ALA 103 17.353 4.431 -8.946 817 HB3 ALA 103 HB3 ALA 103 18.061 4.061 -10.517 818 H LEU 104 H LEU 104 18.295 0.104 -8.287 819 HA LEU 104 HA LEU 104 17.375 0.722 -5.605 820 HB2 LEU 104 HB2 LEU 104 18.592 -1.741 -6.843 821 HB3 LEU 104 HB3 LEU 104 18.221 -1.623 -5.134 822 HG LEU 104 HG LEU 104 16.201 -1.403 -7.372 823 HD11 LEU 104 HD11 LEU 104 17.115 -3.664 -7.120 824 HD12 LEU 104 HD12 LEU 104 15.427 -3.577 -6.623 825 HD13 LEU 104 HD13 LEU 104 16.702 -3.632 -5.406 826 HD21 LEU 104 HD21 LEU 104 14.540 -1.474 -5.592 827 HD22 LEU 104 HD22 LEU 104 15.606 -0.080 -5.403 828 HD23 LEU 104 HD23 LEU 104 15.826 -1.500 -4.383 829 H SER 105 H SER 105 20.300 0.800 -7.393 830 HA SER 105 HA SER 105 21.844 1.159 -4.913 831 HB2 SER 105 HB2 SER 105 22.801 -0.635 -6.192 832 HB3 SER 105 HB3 SER 105 22.708 0.298 -7.685 833 HG SER 105 HG SER 105 24.380 1.559 -7.023 834 H THR 106 H THR 106 22.063 2.232 -8.279 835 HA THR 106 HA THR 106 22.101 5.021 -7.483 836 HB THR 106 HB THR 106 24.282 5.090 -9.080 837 HG1 THR 106 HG1 THR 106 25.620 3.356 -8.646 838 HG21 THR 106 HG21 THR 106 24.307 4.655 -6.088 839 HG22 THR 106 HG22 THR 106 24.105 6.199 -6.915 840 HG23 THR 106 HG23 THR 106 25.636 5.329 -7.033 841 H THR 107 H THR 107 21.067 6.187 -8.993 842 HA THR 107 HA THR 107 20.105 4.981 -11.378 843 HB THR 107 HB THR 107 20.149 7.942 -11.119 844 HG1 THR 107 HG1 THR 107 18.255 7.635 -9.649 845 HG21 THR 107 HG21 THR 107 17.838 7.696 -11.906 846 HG22 THR 107 HG22 THR 107 18.005 5.941 -11.834 847 HG23 THR 107 HG23 THR 107 18.978 6.874 -12.973 848 H LYS 108 H LYS 108 20.699 5.366 -13.504 849 HA LYS 108 HA LYS 108 23.396 6.436 -13.845 850 HB2 LYS 108 HB2 LYS 108 21.959 4.191 -15.022 851 HB3 LYS 108 HB3 LYS 108 22.688 5.228 -16.238 852 HG2 LYS 108 HG2 LYS 108 24.255 3.539 -15.762 853 HG3 LYS 108 HG3 LYS 108 24.855 5.004 -14.988 854 HD2 LYS 108 HD2 LYS 108 23.190 3.058 -13.441 855 HD3 LYS 108 HD3 LYS 108 24.902 2.751 -13.706 856 HE2 LYS 108 HE2 LYS 108 23.851 5.306 -12.526 857 HE3 LYS 108 HE3 LYS 108 24.313 3.911 -11.552 858 HZ1 LYS 108 HZ1 LYS 108 26.109 5.394 -13.402 859 HZ2 LYS 108 HZ2 LYS 108 26.548 4.067 -12.449 860 HZ3 LYS 108 HZ3 LYS 108 26.106 5.523 -11.709 861 H ALA 109 H ALA 109 23.781 8.074 -15.137 862 HA ALA 109 HA ALA 109 21.507 9.261 -16.597 863 HB1 ALA 109 HB1 ALA 109 22.158 11.478 -15.846 864 HB2 ALA 109 HB2 ALA 109 23.482 10.790 -14.908 865 HB3 ALA 109 HB3 ALA 109 21.812 10.436 -14.464 866 H ARG 110 H ARG 110 25.022 9.272 -16.168 867 HA ARG 110 HA ARG 110 26.748 9.797 -17.532 868 HB2 ARG 110 HB2 ARG 110 26.059 7.856 -18.799 869 HB3 ARG 110 HB3 ARG 110 24.833 8.792 -19.644 870 HG2 ARG 110 HG2 ARG 110 26.813 8.376 -21.034 871 HG3 ARG 110 HG3 ARG 110 26.540 10.098 -20.757 872 HD2 ARG 110 HD2 ARG 110 28.184 9.841 -18.807 873 HD3 ARG 110 HD3 ARG 110 28.625 8.304 -19.553 874 HE ARG 110 HE ARG 110 28.762 10.202 -21.563 875 HH11 ARG 110 HH11 ARG 110 30.340 9.600 -18.497 876 HH12 ARG 110 HH12 ARG 110 31.795 10.445 -18.928 877 HH21 ARG 110 HH21 ARG 110 30.641 11.321 -22.144 878 HH22 ARG 110 HH22 ARG 110 31.973 11.437 -21.026 879 H HIS 111 H HIS 111 26.689 11.983 -17.046 880 HA HIS 111 HA HIS 111 25.986 13.674 -19.325 881 HB2 HIS 111 HB2 HIS 111 24.034 13.784 -17.805 882 HB3 HIS 111 HB3 HIS 111 25.092 14.290 -16.494 883 HD1 HIS 111 HD1 HIS 111 25.232 16.736 -16.153 884 HD2 HIS 111 HD2 HIS 111 24.130 15.772 -20.051 885 HE1 HIS 111 HE1 HIS 111 24.799 18.929 -17.300 886 HE2 HIS 111 HE2 HIS 111 23.937 18.316 -19.587 887 H TYR 112 H TYR 112 27.844 14.614 -19.833 888 HA TYR 112 HA TYR 112 29.853 15.089 -17.779 889 HB2 TYR 112 HB2 TYR 112 30.278 14.171 -20.174 890 HB3 TYR 112 HB3 TYR 112 30.127 15.852 -20.677 891 HD1 TYR 112 HD1 TYR 112 32.009 13.632 -18.369 892 HD2 TYR 112 HD2 TYR 112 31.987 17.283 -20.551 893 HE1 TYR 112 HE1 TYR 112 34.371 13.981 -17.791 894 HE2 TYR 112 HE2 TYR 112 34.352 17.642 -19.977 895 HH TYR 112 HH TYR 112 35.965 16.952 -18.282 896 HA PRO 113 HA PRO 113 27.990 19.131 -17.562 897 HB2 PRO 113 HB2 PRO 113 29.072 19.602 -15.025 898 HB3 PRO 113 HB3 PRO 113 27.492 18.907 -15.379 899 HG2 PRO 113 HG2 PRO 113 29.692 17.611 -14.181 900 HG3 PRO 113 HG3 PRO 113 28.181 16.869 -14.725 901 HD2 PRO 113 HD2 PRO 113 30.832 16.942 -16.046 902 HD3 PRO 113 HD3 PRO 113 29.537 15.733 -16.172 903 H LEU 114 H LEU 114 29.083 20.339 -18.983 904 HA LEU 114 HA LEU 114 31.678 21.451 -18.187 905 HB2 LEU 114 HB2 LEU 114 31.418 20.581 -20.501 906 HB3 LEU 114 HB3 LEU 114 30.148 21.756 -20.780 907 HG LEU 114 HG LEU 114 31.794 23.577 -20.419 908 HD11 LEU 114 HD11 LEU 114 34.171 23.045 -20.415 909 HD12 LEU 114 HD12 LEU 114 33.793 21.321 -20.378 910 HD13 LEU 114 HD13 LEU 114 33.363 22.349 -19.008 911 HD21 LEU 114 HD21 LEU 114 31.264 22.828 -22.671 912 HD22 LEU 114 HD22 LEU 114 32.506 21.581 -22.565 913 HD23 LEU 114 HD23 LEU 114 32.963 23.283 -22.552 914 H GLU 115 H GLU 115 28.337 22.105 -18.385 915 HA GLU 115 HA GLU 115 28.766 24.972 -17.963 916 HB2 GLU 115 HB2 GLU 115 27.276 24.583 -19.777 917 HB3 GLU 115 HB3 GLU 115 26.368 23.384 -18.868 918 HG2 GLU 115 HG2 GLU 115 25.564 25.147 -17.368 919 HG3 GLU 115 HG3 GLU 115 26.459 26.341 -18.308 920 H HIS 116 H HIS 116 28.743 25.637 -15.952 921 HA HIS 116 HA HIS 116 26.621 24.661 -14.188 922 HB2 HIS 116 HB2 HIS 116 29.551 24.821 -13.543 923 HB3 HIS 116 HB3 HIS 116 28.356 25.069 -12.274 924 HD1 HIS 116 HD1 HIS 116 30.428 22.512 -13.327 925 HD2 HIS 116 HD2 HIS 116 26.324 22.694 -12.655 926 HE1 HIS 116 HE1 HIS 116 29.695 20.139 -12.925 927 HE2 HIS 116 HE2 HIS 116 27.183 20.256 -12.733 928 H HIS 117 H HIS 117 25.761 26.227 -12.830 929 HA HIS 117 HA HIS 117 26.365 28.961 -13.695 930 HB2 HIS 117 HB2 HIS 117 24.022 27.825 -12.147 931 HB3 HIS 117 HB3 HIS 117 24.224 29.532 -12.521 932 HD1 HIS 117 HD1 HIS 117 23.764 30.286 -14.948 933 HD2 HIS 117 HD2 HIS 117 23.227 26.209 -14.293 934 HE1 HIS 117 HE1 HIS 117 22.542 29.423 -16.970 935 HE2 HIS 117 HE2 HIS 117 22.013 27.017 -16.433 936 H HIS 118 H HIS 118 27.697 30.138 -12.482 937 HA HIS 118 HA HIS 118 28.119 29.315 -9.694 938 HB2 HIS 118 HB2 HIS 118 30.046 29.469 -11.382 939 HB3 HIS 118 HB3 HIS 118 29.854 31.216 -11.268 940 HD1 HIS 118 HD1 HIS 118 30.680 32.367 -9.112 941 HD2 HIS 118 HD2 HIS 118 31.098 28.223 -9.086 942 HE1 HIS 118 HE1 HIS 118 32.142 31.841 -7.131 943 HE2 HIS 118 HE2 HIS 118 32.335 29.323 -7.094 944 H HIS 119 H HIS 119 27.106 30.460 -8.193 945 HA HIS 119 HA HIS 119 26.856 33.356 -8.543 946 HB2 HIS 119 HB2 HIS 119 24.751 32.401 -9.380 947 HB3 HIS 119 HB3 HIS 119 24.538 31.529 -7.865 948 HD1 HIS 119 HD1 HIS 119 23.247 32.707 -6.093 949 HD2 HIS 119 HD2 HIS 119 24.641 35.309 -9.022 950 HE1 HIS 119 HE1 HIS 119 22.236 34.943 -5.552 951 HE2 HIS 119 HE2 HIS 119 23.185 36.529 -7.267 952 H HIS 120 H HIS 120 27.582 34.330 -6.792 953 HA HIS 120 HA HIS 120 26.695 33.704 -4.183 954 HB2 HIS 120 HB2 HIS 120 28.274 31.832 -4.350 955 HB3 HIS 120 HB3 HIS 120 29.565 32.942 -4.796 956 HD1 HIS 120 HD1 HIS 120 27.170 32.524 -1.844 957 HD2 HIS 120 HD2 HIS 120 31.092 33.631 -2.679 958 HE1 HIS 120 HE1 HIS 120 28.246 32.960 0.391 959 HE2 HIS 120 HE2 HIS 120 30.529 33.868 -0.170 960 H HIS 121 H HIS 121 26.865 35.494 -2.963 961 HA HIS 121 HA HIS 121 28.275 37.775 -4.056 962 HB2 HIS 121 HB2 HIS 121 25.997 38.005 -3.066 963 HB3 HIS 121 HB3 HIS 121 26.667 37.565 -1.499 964 HD1 HIS 121 HD1 HIS 121 27.670 39.416 -0.122 965 HD2 HIS 121 HD2 HIS 121 26.977 40.530 -4.071 966 HE1 HIS 121 HE1 HIS 121 28.109 41.896 -0.218 967 HE2 HIS 121 HE2 HIS 121 27.532 42.572 -2.580 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -20.202 -13.378 1.052 2 H2 MET 1 H2 MET 1 -18.942 -14.453 0.688 3 H3 MET 1 H3 MET 1 -19.044 -12.966 -0.120 4 HA MET 1 HA MET 1 -18.546 -13.323 2.779 5 HB2 MET 1 HB2 MET 1 -16.708 -12.540 0.505 6 HB3 MET 1 HB3 MET 1 -16.297 -12.363 2.204 7 HG2 MET 1 HG2 MET 1 -15.271 -14.344 1.325 8 HG3 MET 1 HG3 MET 1 -16.513 -14.797 2.489 9 HE1 MET 1 HE1 MET 1 -15.114 -16.733 0.265 10 HE2 MET 1 HE2 MET 1 -16.518 -17.683 -0.223 11 HE3 MET 1 HE3 MET 1 -16.262 -17.299 1.481 12 H GLU 2 H GLU 2 -17.931 -11.287 3.824 13 HA GLU 2 HA GLU 2 -19.545 -9.094 2.795 14 HB2 GLU 2 HB2 GLU 2 -18.129 -9.551 5.415 15 HB3 GLU 2 HB3 GLU 2 -18.822 -7.993 4.993 16 HG2 GLU 2 HG2 GLU 2 -20.394 -9.127 6.336 17 HG3 GLU 2 HG3 GLU 2 -21.014 -9.132 4.688 18 H ASN 3 H ASN 3 -18.545 -8.069 1.195 19 HA ASN 3 HA ASN 3 -15.707 -7.427 1.435 20 HB2 ASN 3 HB2 ASN 3 -17.664 -7.090 -0.841 21 HB3 ASN 3 HB3 ASN 3 -15.994 -6.537 -0.898 22 HD21 ASN 3 HD21 ASN 3 -15.468 -7.888 -2.588 23 HD22 ASN 3 HD22 ASN 3 -15.284 -9.593 -2.377 24 H SER 4 H SER 4 -15.630 -5.852 2.962 25 HA SER 4 HA SER 4 -17.437 -3.585 2.777 26 HB2 SER 4 HB2 SER 4 -15.288 -4.134 4.833 27 HB3 SER 4 HB3 SER 4 -16.629 -2.993 4.970 28 HG SER 4 HG SER 4 -17.583 -5.425 4.378 29 H GLY 5 H GLY 5 -16.901 -2.016 1.437 30 HA2 GLY 5 HA2 GLY 5 -14.366 -0.656 1.786 31 HA3 GLY 5 HA3 GLY 5 -14.609 -1.358 0.190 32 H ALA 6 H ALA 6 -14.348 1.450 0.734 33 HA ALA 6 HA ALA 6 -17.103 2.401 0.340 34 HB1 ALA 6 HB1 ALA 6 -14.636 3.978 1.061 35 HB2 ALA 6 HB2 ALA 6 -15.878 3.433 2.186 36 HB3 ALA 6 HB3 ALA 6 -16.276 4.611 0.937 37 H TYR 7 H TYR 7 -14.134 3.980 -0.712 38 HA TYR 7 HA TYR 7 -14.508 3.443 -3.497 39 HB2 TYR 7 HB2 TYR 7 -15.007 5.850 -4.100 40 HB3 TYR 7 HB3 TYR 7 -16.340 4.984 -3.345 41 HD1 TYR 7 HD1 TYR 7 -13.831 7.635 -2.890 42 HD2 TYR 7 HD2 TYR 7 -17.130 5.596 -1.137 43 HE1 TYR 7 HE1 TYR 7 -14.008 9.394 -1.182 44 HE2 TYR 7 HE2 TYR 7 -17.312 7.353 0.572 45 HH TYR 7 HH TYR 7 -15.812 10.324 0.329 46 H THR 8 H THR 8 -12.505 3.680 -1.220 47 HA THR 8 HA THR 8 -10.667 5.632 -2.401 48 HB THR 8 HB THR 8 -9.434 5.314 -0.174 49 HG1 THR 8 HG1 THR 8 -10.396 4.172 1.354 50 HG21 THR 8 HG21 THR 8 -10.931 6.897 0.981 51 HG22 THR 8 HG22 THR 8 -12.186 6.562 -0.211 52 HG23 THR 8 HG23 THR 8 -10.683 7.338 -0.709 53 H PHE 9 H PHE 9 -8.293 4.659 -1.280 54 HA PHE 9 HA PHE 9 -7.538 2.931 -3.396 55 HB2 PHE 9 HB2 PHE 9 -6.120 4.698 -2.292 56 HB3 PHE 9 HB3 PHE 9 -5.962 3.625 -0.908 57 HD1 PHE 9 HD1 PHE 9 -5.320 3.814 -4.560 58 HD2 PHE 9 HD2 PHE 9 -4.235 2.075 -0.832 59 HE1 PHE 9 HE1 PHE 9 -3.356 2.781 -5.620 60 HE2 PHE 9 HE2 PHE 9 -2.268 1.034 -1.884 61 HZ PHE 9 HZ PHE 9 -1.827 1.389 -4.282 62 H GLU 10 H GLU 10 -8.250 2.470 -0.011 63 HA GLU 10 HA GLU 10 -7.106 -0.054 0.376 64 HB2 GLU 10 HB2 GLU 10 -9.605 0.861 1.781 65 HB3 GLU 10 HB3 GLU 10 -8.326 -0.173 2.397 66 HG2 GLU 10 HG2 GLU 10 -7.908 1.799 3.495 67 HG3 GLU 10 HG3 GLU 10 -6.835 1.932 2.101 68 H THR 11 H THR 11 -10.338 0.832 -0.797 69 HA THR 11 HA THR 11 -11.451 -1.740 -0.417 70 HB THR 11 HB THR 11 -12.853 0.284 -0.586 71 HG1 THR 11 HG1 THR 11 -13.300 -1.941 -2.276 72 HG21 THR 11 HG21 THR 11 -13.419 1.185 -2.803 73 HG22 THR 11 HG22 THR 11 -12.181 0.160 -3.527 74 HG23 THR 11 HG23 THR 11 -11.720 1.440 -2.405 75 H ILE 12 H ILE 12 -9.651 -0.344 -3.067 76 HA ILE 12 HA ILE 12 -10.426 -2.313 -4.984 77 HB ILE 12 HB ILE 12 -8.019 -0.482 -4.964 78 HG12 ILE 12 HG12 ILE 12 -10.098 0.765 -4.971 79 HG13 ILE 12 HG13 ILE 12 -9.372 0.847 -6.573 80 HG21 ILE 12 HG21 ILE 12 -7.680 -2.424 -6.415 81 HG22 ILE 12 HG22 ILE 12 -7.844 -0.937 -7.348 82 HG23 ILE 12 HG23 ILE 12 -9.195 -2.068 -7.246 83 HD11 ILE 12 HD11 ILE 12 -11.776 0.535 -6.690 84 HD12 ILE 12 HD12 ILE 12 -11.638 -0.956 -5.757 85 HD13 ILE 12 HD13 ILE 12 -10.924 -0.853 -7.367 86 H ALA 13 H ALA 13 -7.564 -1.861 -2.936 87 HA ALA 13 HA ALA 13 -6.226 -4.229 -3.668 88 HB1 ALA 13 HB1 ALA 13 -6.146 -2.722 -1.055 89 HB2 ALA 13 HB2 ALA 13 -5.116 -2.428 -2.457 90 HB3 ALA 13 HB3 ALA 13 -4.987 -3.948 -1.570 91 H ARG 14 H ARG 14 -8.688 -3.503 -1.309 92 HA ARG 14 HA ARG 14 -8.634 -5.822 0.234 93 HB2 ARG 14 HB2 ARG 14 -9.961 -3.535 0.394 94 HB3 ARG 14 HB3 ARG 14 -11.224 -4.471 -0.383 95 HG2 ARG 14 HG2 ARG 14 -9.889 -5.451 2.106 96 HG3 ARG 14 HG3 ARG 14 -11.198 -4.278 2.175 97 HD2 ARG 14 HD2 ARG 14 -12.487 -5.987 0.714 98 HD3 ARG 14 HD3 ARG 14 -11.259 -7.131 1.265 99 HE ARG 14 HE ARG 14 -12.296 -5.714 3.472 100 HH11 ARG 14 HH11 ARG 14 -13.196 -8.288 1.238 101 HH12 ARG 14 HH12 ARG 14 -14.379 -8.947 2.320 102 HH21 ARG 14 HH21 ARG 14 -13.829 -6.599 4.859 103 HH22 ARG 14 HH22 ARG 14 -14.748 -7.991 4.372 104 H GLU 15 H GLU 15 -9.919 -5.255 -2.954 105 HA GLU 15 HA GLU 15 -11.810 -7.384 -2.914 106 HB2 GLU 15 HB2 GLU 15 -11.941 -5.383 -4.401 107 HB3 GLU 15 HB3 GLU 15 -10.571 -6.011 -5.305 108 HG2 GLU 15 HG2 GLU 15 -12.654 -6.485 -6.442 109 HG3 GLU 15 HG3 GLU 15 -11.874 -7.978 -5.921 110 H TRP 16 H TRP 16 -8.689 -7.058 -4.666 111 HA TRP 16 HA TRP 16 -8.793 -9.862 -5.328 112 HB2 TRP 16 HB2 TRP 16 -6.648 -9.441 -6.532 113 HB3 TRP 16 HB3 TRP 16 -7.978 -8.415 -7.046 114 HD1 TRP 16 HD1 TRP 16 -7.686 -5.807 -6.776 115 HE1 TRP 16 HE1 TRP 16 -5.722 -4.318 -6.063 116 HE3 TRP 16 HE3 TRP 16 -4.545 -9.410 -4.952 117 HZ2 TRP 16 HZ2 TRP 16 -3.178 -4.621 -4.891 118 HZ3 TRP 16 HZ3 TRP 16 -2.362 -8.724 -4.059 119 HH2 TRP 16 HH2 TRP 16 -1.698 -6.376 -4.028 120 H HIS 17 H HIS 17 -7.001 -7.875 -3.049 121 HA HIS 17 HA HIS 17 -5.061 -9.869 -2.427 122 HB2 HIS 17 HB2 HIS 17 -4.696 -7.426 -2.121 123 HB3 HIS 17 HB3 HIS 17 -5.827 -7.461 -0.772 124 HD1 HIS 17 HD1 HIS 17 -4.752 -7.743 1.441 125 HD2 HIS 17 HD2 HIS 17 -2.416 -9.316 -1.614 126 HE1 HIS 17 HE1 HIS 17 -2.627 -8.506 2.544 127 HE2 HIS 17 HE2 HIS 17 -1.289 -9.591 0.704 128 H GLU 18 H GLU 18 -8.293 -9.432 -1.434 129 HA GLU 18 HA GLU 18 -8.327 -9.896 1.269 130 HB2 GLU 18 HB2 GLU 18 -10.265 -9.266 -0.103 131 HB3 GLU 18 HB3 GLU 18 -10.298 -10.879 -0.793 132 HG2 GLU 18 HG2 GLU 18 -10.646 -11.723 1.570 133 HG3 GLU 18 HG3 GLU 18 -10.952 -10.039 2.006 134 H SER 19 H SER 19 -8.415 -12.388 -1.287 135 HA SER 19 HA SER 19 -8.679 -14.480 0.689 136 HB2 SER 19 HB2 SER 19 -9.863 -14.483 -1.534 137 HB3 SER 19 HB3 SER 19 -8.302 -14.775 -2.297 138 HG SER 19 HG SER 19 -9.063 -16.459 -0.207 139 H ASN 20 H ASN 20 -6.057 -12.762 -0.100 140 HA ASN 20 HA ASN 20 -4.276 -15.096 0.078 141 HB2 ASN 20 HB2 ASN 20 -4.353 -14.372 -2.271 142 HB3 ASN 20 HB3 ASN 20 -3.865 -12.753 -1.788 143 HD21 ASN 20 HD21 ASN 20 -1.747 -12.391 -1.132 144 HD22 ASN 20 HD22 ASN 20 -0.477 -13.514 -1.461 145 H LYS 21 H LYS 21 -3.669 -14.785 2.158 146 HA LYS 21 HA LYS 21 -1.487 -13.040 2.571 147 HB2 LYS 21 HB2 LYS 21 -3.686 -11.591 2.941 148 HB3 LYS 21 HB3 LYS 21 -3.678 -12.390 4.505 149 HG2 LYS 21 HG2 LYS 21 -1.451 -10.702 3.372 150 HG3 LYS 21 HG3 LYS 21 -2.602 -10.209 4.611 151 HD2 LYS 21 HD2 LYS 21 -1.733 -11.921 6.115 152 HD3 LYS 21 HD3 LYS 21 -0.605 -12.462 4.870 153 HE2 LYS 21 HE2 LYS 21 0.384 -10.170 4.879 154 HE3 LYS 21 HE3 LYS 21 -0.653 -9.780 6.251 155 HZ1 LYS 21 HZ1 LYS 21 1.452 -11.880 6.178 156 HZ2 LYS 21 HZ2 LYS 21 0.416 -11.597 7.488 157 HZ3 LYS 21 HZ3 LYS 21 1.528 -10.409 7.017 158 H ARG 22 H ARG 22 -4.007 -14.178 4.799 159 HA ARG 22 HA ARG 22 -2.515 -16.475 5.640 160 HB2 ARG 22 HB2 ARG 22 -1.571 -14.247 6.790 161 HB3 ARG 22 HB3 ARG 22 -2.943 -14.516 7.853 162 HG2 ARG 22 HG2 ARG 22 -0.736 -16.498 7.321 163 HG3 ARG 22 HG3 ARG 22 -0.872 -15.464 8.743 164 HD2 ARG 22 HD2 ARG 22 -3.054 -16.546 9.242 165 HD3 ARG 22 HD3 ARG 22 -2.763 -17.651 7.899 166 HE ARG 22 HE ARG 22 -0.579 -17.647 9.727 167 HH11 ARG 22 HH11 ARG 22 -3.822 -18.917 9.258 168 HH12 ARG 22 HH12 ARG 22 -3.582 -20.275 10.314 169 HH21 ARG 22 HH21 ARG 22 -0.265 -19.419 11.132 170 HH22 ARG 22 HH22 ARG 22 -1.554 -20.570 11.370 171 H TRP 23 H TRP 23 -4.149 -17.873 5.832 172 HA TRP 23 HA TRP 23 -6.831 -17.049 6.276 173 HB2 TRP 23 HB2 TRP 23 -5.713 -19.855 6.420 174 HB3 TRP 23 HB3 TRP 23 -7.392 -19.397 6.145 175 HD1 TRP 23 HD1 TRP 23 -8.005 -18.390 3.713 176 HE1 TRP 23 HE1 TRP 23 -6.821 -18.605 1.440 177 HE3 TRP 23 HE3 TRP 23 -3.443 -20.066 5.324 178 HZ2 TRP 23 HZ2 TRP 23 -4.289 -19.380 0.466 179 HZ3 TRP 23 HZ3 TRP 23 -1.697 -20.517 3.656 180 HH2 TRP 23 HH2 TRP 23 -2.112 -20.182 1.271 181 H SER 24 H SER 24 -6.880 -15.987 8.222 182 HA SER 24 HA SER 24 -7.915 -17.421 10.340 183 HB2 SER 24 HB2 SER 24 -6.109 -16.908 12.084 184 HB3 SER 24 HB3 SER 24 -5.785 -18.253 10.994 185 HG SER 24 HG SER 24 -3.996 -17.217 10.645 186 H GLU 25 H GLU 25 -9.286 -16.011 11.210 187 HA GLU 25 HA GLU 25 -9.294 -13.349 10.292 188 HB2 GLU 25 HB2 GLU 25 -11.200 -13.038 11.941 189 HB3 GLU 25 HB3 GLU 25 -11.411 -14.262 10.702 190 HG2 GLU 25 HG2 GLU 25 -10.448 -14.951 13.458 191 HG3 GLU 25 HG3 GLU 25 -12.162 -14.816 13.072 192 H ASP 26 H ASP 26 -8.151 -14.729 13.316 193 HA ASP 26 HA ASP 26 -7.905 -12.297 14.740 194 HB2 ASP 26 HB2 ASP 26 -6.456 -14.932 14.963 195 HB3 ASP 26 HB3 ASP 26 -6.069 -13.569 16.007 196 H HIS 27 H HIS 27 -5.645 -14.074 12.693 197 HA HIS 27 HA HIS 27 -3.517 -12.189 13.035 198 HB2 HIS 27 HB2 HIS 27 -3.876 -14.338 10.925 199 HB3 HIS 27 HB3 HIS 27 -2.387 -13.462 11.246 200 HD1 HIS 27 HD1 HIS 27 -0.827 -15.095 12.299 201 HD2 HIS 27 HD2 HIS 27 -4.690 -15.459 13.800 202 HE1 HIS 27 HE1 HIS 27 -0.705 -16.878 14.064 203 HE2 HIS 27 HE2 HIS 27 -3.016 -16.985 15.060 204 H ARG 28 H ARG 28 -6.095 -12.717 10.751 205 HA ARG 28 HA ARG 28 -5.332 -10.846 8.784 206 HB2 ARG 28 HB2 ARG 28 -6.957 -12.362 8.102 207 HB3 ARG 28 HB3 ARG 28 -7.884 -12.192 9.583 208 HG2 ARG 28 HG2 ARG 28 -9.090 -11.248 7.725 209 HG3 ARG 28 HG3 ARG 28 -8.627 -9.977 8.857 210 HD2 ARG 28 HD2 ARG 28 -6.694 -9.453 7.381 211 HD3 ARG 28 HD3 ARG 28 -7.307 -10.639 6.228 212 HE ARG 28 HE ARG 28 -9.291 -9.239 5.991 213 HH11 ARG 28 HH11 ARG 28 -6.498 -7.784 7.524 214 HH12 ARG 28 HH12 ARG 28 -6.953 -6.164 7.110 215 HH21 ARG 28 HH21 ARG 28 -9.918 -7.107 5.470 216 HH22 ARG 28 HH22 ARG 28 -8.904 -5.775 5.928 217 H SER 29 H SER 29 -7.139 -10.523 11.796 218 HA SER 29 HA SER 29 -8.023 -7.863 11.196 219 HB2 SER 29 HB2 SER 29 -9.268 -9.464 12.675 220 HB3 SER 29 HB3 SER 29 -8.009 -9.241 13.889 221 HG SER 29 HG SER 29 -9.764 -7.270 12.820 222 H ARG 30 H ARG 30 -5.401 -9.270 13.126 223 HA ARG 30 HA ARG 30 -4.742 -6.884 14.477 224 HB2 ARG 30 HB2 ARG 30 -2.713 -7.955 15.178 225 HB3 ARG 30 HB3 ARG 30 -4.021 -9.124 15.240 226 HG2 ARG 30 HG2 ARG 30 -3.253 -10.171 13.223 227 HG3 ARG 30 HG3 ARG 30 -2.027 -8.920 12.999 228 HD2 ARG 30 HD2 ARG 30 -2.173 -10.891 15.279 229 HD3 ARG 30 HD3 ARG 30 -1.039 -10.939 13.930 230 HE ARG 30 HE ARG 30 -0.995 -8.510 15.509 231 HH11 ARG 30 HH11 ARG 30 0.394 -11.688 15.009 232 HH12 ARG 30 HH12 ARG 30 1.868 -11.313 15.859 233 HH21 ARG 30 HH21 ARG 30 0.914 -8.009 16.613 234 HH22 ARG 30 HH22 ARG 30 2.165 -9.209 16.780 235 H VAL 31 H VAL 31 -3.739 -8.125 11.341 236 HA VAL 31 HA VAL 31 -1.506 -6.418 11.015 237 HB VAL 31 HB VAL 31 -1.573 -6.937 8.646 238 HG11 VAL 31 HG11 VAL 31 -1.422 -9.374 8.778 239 HG12 VAL 31 HG12 VAL 31 -2.198 -9.332 10.360 240 HG13 VAL 31 HG13 VAL 31 -0.616 -8.587 10.134 241 HG21 VAL 31 HG21 VAL 31 -4.230 -8.255 9.199 242 HG22 VAL 31 HG22 VAL 31 -3.341 -8.320 7.677 243 HG23 VAL 31 HG23 VAL 31 -3.976 -6.783 8.263 244 H LEU 32 H LEU 32 -4.853 -5.790 10.904 245 HA LEU 32 HA LEU 32 -4.886 -3.575 9.146 246 HB2 LEU 32 HB2 LEU 32 -6.919 -4.731 9.957 247 HB3 LEU 32 HB3 LEU 32 -6.620 -4.101 11.566 248 HG LEU 32 HG LEU 32 -6.895 -1.797 10.678 249 HD11 LEU 32 HD11 LEU 32 -7.760 -3.200 8.155 250 HD12 LEU 32 HD12 LEU 32 -6.289 -2.247 8.353 251 HD13 LEU 32 HD13 LEU 32 -7.867 -1.469 8.476 252 HD21 LEU 32 HD21 LEU 32 -9.222 -3.658 10.200 253 HD22 LEU 32 HD22 LEU 32 -9.326 -1.912 10.434 254 HD23 LEU 32 HD23 LEU 32 -8.759 -2.947 11.746 255 H ARG 33 H ARG 33 -4.123 -3.944 12.553 256 HA ARG 33 HA ARG 33 -3.858 -1.156 13.096 257 HB2 ARG 33 HB2 ARG 33 -2.955 -3.643 14.538 258 HB3 ARG 33 HB3 ARG 33 -2.514 -2.042 15.108 259 HG2 ARG 33 HG2 ARG 33 -4.402 -2.747 16.353 260 HG3 ARG 33 HG3 ARG 33 -4.955 -1.504 15.232 261 HD2 ARG 33 HD2 ARG 33 -5.779 -3.262 13.726 262 HD3 ARG 33 HD3 ARG 33 -5.263 -4.483 14.888 263 HE ARG 33 HE ARG 33 -6.984 -2.601 16.128 264 HH11 ARG 33 HH11 ARG 33 -7.034 -5.300 13.889 265 HH12 ARG 33 HH12 ARG 33 -8.659 -5.763 14.285 266 HH21 ARG 33 HH21 ARG 33 -9.130 -3.213 16.644 267 HH22 ARG 33 HH22 ARG 33 -9.857 -4.573 15.833 268 H TYR 34 H TYR 34 -1.769 -3.685 11.929 269 HA TYR 34 HA TYR 34 0.683 -2.242 12.228 270 HB2 TYR 34 HB2 TYR 34 0.377 -4.786 12.057 271 HB3 TYR 34 HB3 TYR 34 0.186 -4.538 10.325 272 HD1 TYR 34 HD1 TYR 34 2.543 -3.898 13.132 273 HD2 TYR 34 HD2 TYR 34 2.073 -4.489 8.947 274 HE1 TYR 34 HE1 TYR 34 4.984 -3.987 12.880 275 HE2 TYR 34 HE2 TYR 34 4.518 -4.581 8.683 276 HH TYR 34 HH TYR 34 6.649 -4.815 11.371 277 H LEU 35 H LEU 35 -1.847 -2.420 9.898 278 HA LEU 35 HA LEU 35 -0.589 -1.415 7.603 279 HB2 LEU 35 HB2 LEU 35 -2.865 -2.372 7.661 280 HB3 LEU 35 HB3 LEU 35 -3.421 -0.978 8.564 281 HG LEU 35 HG LEU 35 -2.732 0.428 6.560 282 HD11 LEU 35 HD11 LEU 35 -1.282 -1.195 5.484 283 HD12 LEU 35 HD12 LEU 35 -2.613 -0.747 4.418 284 HD13 LEU 35 HD13 LEU 35 -2.645 -2.293 5.268 285 HD21 LEU 35 HD21 LEU 35 -5.053 -0.071 7.081 286 HD22 LEU 35 HD22 LEU 35 -4.927 -1.615 6.238 287 HD23 LEU 35 HD23 LEU 35 -4.790 -0.105 5.336 288 H GLU 36 H GLU 36 -1.776 0.142 10.483 289 HA GLU 36 HA GLU 36 -1.603 2.823 9.493 290 HB2 GLU 36 HB2 GLU 36 -1.751 1.726 12.310 291 HB3 GLU 36 HB3 GLU 36 -1.874 3.431 11.896 292 HG2 GLU 36 HG2 GLU 36 -3.730 1.427 10.691 293 HG3 GLU 36 HG3 GLU 36 -4.020 2.075 12.300 294 H LEU 37 H LEU 37 0.597 0.565 10.914 295 HA LEU 37 HA LEU 37 2.365 2.564 12.002 296 HB2 LEU 37 HB2 LEU 37 1.828 0.151 12.858 297 HB3 LEU 37 HB3 LEU 37 3.071 -0.332 11.725 298 HG LEU 37 HG LEU 37 3.498 1.629 13.987 299 HD11 LEU 37 HD11 LEU 37 4.700 -0.216 15.077 300 HD12 LEU 37 HD12 LEU 37 4.184 -1.300 13.785 301 HD13 LEU 37 HD13 LEU 37 2.987 -0.576 14.859 302 HD21 LEU 37 HD21 LEU 37 5.874 1.241 13.536 303 HD22 LEU 37 HD22 LEU 37 5.052 1.949 12.146 304 HD23 LEU 37 HD23 LEU 37 5.444 0.229 12.157 305 H TYR 38 H TYR 38 2.883 -0.066 9.618 306 HA TYR 38 HA TYR 38 5.229 1.434 8.684 307 HB2 TYR 38 HB2 TYR 38 4.615 -1.421 9.008 308 HB3 TYR 38 HB3 TYR 38 5.454 -1.023 7.516 309 HD1 TYR 38 HD1 TYR 38 7.619 0.316 7.702 310 HD2 TYR 38 HD2 TYR 38 5.805 -1.629 11.019 311 HE1 TYR 38 HE1 TYR 38 9.765 0.362 8.891 312 HE2 TYR 38 HE2 TYR 38 7.951 -1.585 12.220 313 HH TYR 38 HH TYR 38 10.543 0.318 11.300 314 H ILE 39 H ILE 39 2.162 1.358 7.775 315 HA ILE 39 HA ILE 39 2.816 1.250 4.934 316 HB ILE 39 HB ILE 39 0.110 0.555 6.087 317 HG12 ILE 39 HG12 ILE 39 1.779 -1.150 6.733 318 HG13 ILE 39 HG13 ILE 39 0.606 -1.780 5.582 319 HG21 ILE 39 HG21 ILE 39 -0.354 -0.266 3.831 320 HG22 ILE 39 HG22 ILE 39 1.258 0.226 3.316 321 HG23 ILE 39 HG23 ILE 39 0.081 1.442 3.814 322 HD11 ILE 39 HD11 ILE 39 3.405 -0.883 4.937 323 HD12 ILE 39 HD12 ILE 39 2.232 -1.522 3.784 324 HD13 ILE 39 HD13 ILE 39 2.849 -2.552 5.076 325 H PHE 40 H PHE 40 2.417 2.991 3.902 326 HA PHE 40 HA PHE 40 1.769 5.085 3.292 327 HB2 PHE 40 HB2 PHE 40 -0.487 4.708 5.274 328 HB3 PHE 40 HB3 PHE 40 -0.400 5.951 4.035 329 HD1 PHE 40 HD1 PHE 40 0.184 4.744 1.595 330 HD2 PHE 40 HD2 PHE 40 -2.029 3.096 4.840 331 HE1 PHE 40 HE1 PHE 40 -0.999 3.265 0.028 332 HE2 PHE 40 HE2 PHE 40 -3.214 1.608 3.274 333 HZ PHE 40 HZ PHE 40 -2.700 1.694 0.865 334 HA PRO 41 HA PRO 41 3.612 6.354 7.496 335 HB2 PRO 41 HB2 PRO 41 6.066 7.122 6.544 336 HB3 PRO 41 HB3 PRO 41 5.707 5.507 7.161 337 HG2 PRO 41 HG2 PRO 41 5.837 6.472 4.338 338 HG3 PRO 41 HG3 PRO 41 6.421 4.948 5.033 339 HD2 PRO 41 HD2 PRO 41 4.114 5.102 3.639 340 HD3 PRO 41 HD3 PRO 41 4.321 3.987 5.005 341 H HIS 42 H HIS 42 4.578 7.990 4.458 342 HA HIS 42 HA HIS 42 3.782 10.535 5.686 343 HB2 HIS 42 HB2 HIS 42 6.133 10.290 4.850 344 HB3 HIS 42 HB3 HIS 42 5.490 10.103 3.225 345 HD1 HIS 42 HD1 HIS 42 5.964 12.664 5.934 346 HD2 HIS 42 HD2 HIS 42 4.760 12.468 1.960 347 HE1 HIS 42 HE1 HIS 42 5.856 15.046 5.137 348 HE2 HIS 42 HE2 HIS 42 5.364 14.881 2.672 349 H ILE 43 H ILE 43 2.634 8.227 3.594 350 HA ILE 43 HA ILE 43 1.327 10.194 1.840 351 HB ILE 43 HB ILE 43 1.124 8.383 0.172 352 HG12 ILE 43 HG12 ILE 43 2.913 6.840 2.061 353 HG13 ILE 43 HG13 ILE 43 1.216 6.484 1.756 354 HG21 ILE 43 HG21 ILE 43 2.948 9.968 0.038 355 HG22 ILE 43 HG22 ILE 43 3.496 8.373 -0.481 356 HG23 ILE 43 HG23 ILE 43 3.921 8.972 1.122 357 HD11 ILE 43 HD11 ILE 43 2.676 4.986 0.519 358 HD12 ILE 43 HD12 ILE 43 3.435 6.367 -0.277 359 HD13 ILE 43 HD13 ILE 43 1.734 6.002 -0.574 360 H GLY 44 H GLY 44 0.482 8.869 4.505 361 HA2 GLY 44 HA2 GLY 44 -1.568 7.010 4.011 362 HA3 GLY 44 HA3 GLY 44 -1.413 7.994 5.455 363 H SER 45 H SER 45 -1.612 10.497 3.835 364 HA SER 45 HA SER 45 -4.531 10.508 3.800 365 HB2 SER 45 HB2 SER 45 -2.547 12.788 3.868 366 HB3 SER 45 HB3 SER 45 -4.304 12.963 3.938 367 HG SER 45 HG SER 45 -3.998 11.349 5.795 368 H SER 46 H SER 46 -2.591 9.660 1.534 369 HA SER 46 HA SER 46 -3.164 11.518 -0.579 370 HB2 SER 46 HB2 SER 46 -2.240 8.648 -0.812 371 HB3 SER 46 HB3 SER 46 -2.097 9.910 -2.036 372 HG SER 46 HG SER 46 -0.643 9.511 0.313 373 H ASP 47 H ASP 47 -4.258 10.649 -2.630 374 HA ASP 47 HA ASP 47 -6.797 9.389 -1.843 375 HB2 ASP 47 HB2 ASP 47 -6.751 11.717 -2.912 376 HB3 ASP 47 HB3 ASP 47 -6.243 10.917 -4.394 377 H ILE 48 H ILE 48 -7.781 7.972 -3.561 378 HA ILE 48 HA ILE 48 -5.828 6.078 -4.502 379 HB ILE 48 HB ILE 48 -7.893 5.158 -3.698 380 HG12 ILE 48 HG12 ILE 48 -7.761 4.955 -6.714 381 HG13 ILE 48 HG13 ILE 48 -6.864 3.967 -5.567 382 HG21 ILE 48 HG21 ILE 48 -9.295 6.832 -5.777 383 HG22 ILE 48 HG22 ILE 48 -9.345 7.072 -4.030 384 HG23 ILE 48 HG23 ILE 48 -10.061 5.626 -4.742 385 HD11 ILE 48 HD11 ILE 48 -8.973 3.036 -4.747 386 HD12 ILE 48 HD12 ILE 48 -8.730 2.742 -6.468 387 HD13 ILE 48 HD13 ILE 48 -9.847 3.998 -5.938 388 H ARG 49 H ARG 49 -7.926 8.540 -5.881 389 HA ARG 49 HA ARG 49 -7.242 7.844 -8.604 390 HB2 ARG 49 HB2 ARG 49 -8.655 10.316 -7.574 391 HB3 ARG 49 HB3 ARG 49 -8.631 9.734 -9.232 392 HG2 ARG 49 HG2 ARG 49 -9.835 7.702 -8.495 393 HG3 ARG 49 HG3 ARG 49 -9.941 8.396 -6.877 394 HD2 ARG 49 HD2 ARG 49 -12.009 8.807 -8.039 395 HD3 ARG 49 HD3 ARG 49 -11.150 10.335 -7.838 396 HE ARG 49 HE ARG 49 -10.345 9.586 -10.274 397 HH11 ARG 49 HH11 ARG 49 -13.546 9.634 -8.864 398 HH12 ARG 49 HH12 ARG 49 -14.346 9.946 -10.377 399 HH21 ARG 49 HH21 ARG 49 -11.385 10.023 -12.262 400 HH22 ARG 49 HH22 ARG 49 -13.117 10.183 -12.302 401 H GLN 50 H GLN 50 -6.072 9.841 -6.092 402 HA GLN 50 HA GLN 50 -3.986 10.849 -7.879 403 HB2 GLN 50 HB2 GLN 50 -5.482 12.441 -5.807 404 HB3 GLN 50 HB3 GLN 50 -3.941 12.949 -6.486 405 HG2 GLN 50 HG2 GLN 50 -6.337 12.346 -8.182 406 HG3 GLN 50 HG3 GLN 50 -6.020 13.926 -7.494 407 HE21 GLN 50 HE21 GLN 50 -3.454 11.835 -8.612 408 HE22 GLN 50 HE22 GLN 50 -3.018 12.790 -9.981 409 H LEU 51 H LEU 51 -2.769 9.176 -7.162 410 HA LEU 51 HA LEU 51 -1.954 9.148 -4.356 411 HB2 LEU 51 HB2 LEU 51 -2.533 7.023 -5.555 412 HB3 LEU 51 HB3 LEU 51 -1.140 7.281 -6.590 413 HG LEU 51 HG LEU 51 0.331 7.162 -4.590 414 HD11 LEU 51 HD11 LEU 51 -0.580 6.289 -2.495 415 HD12 LEU 51 HD12 LEU 51 -2.210 6.373 -3.166 416 HD13 LEU 51 HD13 LEU 51 -1.287 7.853 -2.903 417 HD21 LEU 51 HD21 LEU 51 0.125 4.741 -4.262 418 HD22 LEU 51 HD22 LEU 51 -0.020 5.189 -5.961 419 HD23 LEU 51 HD23 LEU 51 -1.462 4.779 -5.032 420 H LYS 52 H LYS 52 0.425 9.000 -3.924 421 HA LYS 52 HA LYS 52 1.663 11.261 -5.168 422 HB2 LYS 52 HB2 LYS 52 2.809 9.362 -3.114 423 HB3 LYS 52 HB3 LYS 52 3.448 10.944 -3.540 424 HG2 LYS 52 HG2 LYS 52 0.843 10.340 -2.161 425 HG3 LYS 52 HG3 LYS 52 2.265 11.127 -1.474 426 HD2 LYS 52 HD2 LYS 52 1.969 13.006 -3.015 427 HD3 LYS 52 HD3 LYS 52 0.556 12.214 -3.711 428 HE2 LYS 52 HE2 LYS 52 -0.474 12.255 -1.423 429 HE3 LYS 52 HE3 LYS 52 0.883 13.257 -0.904 430 HZ1 LYS 52 HZ1 LYS 52 0.251 14.900 -2.572 431 HZ2 LYS 52 HZ2 LYS 52 -1.033 14.602 -1.501 432 HZ3 LYS 52 HZ3 LYS 52 -1.054 13.929 -3.056 433 H THR 53 H THR 53 3.781 11.292 -6.069 434 HA THR 53 HA THR 53 4.335 9.085 -7.832 435 HB THR 53 HB THR 53 6.420 10.778 -8.180 436 HG1 THR 53 HG1 THR 53 4.915 12.877 -8.050 437 HG21 THR 53 HG21 THR 53 5.091 11.781 -10.001 438 HG22 THR 53 HG22 THR 53 3.635 11.067 -9.307 439 HG23 THR 53 HG23 THR 53 4.917 10.028 -9.927 440 H SER 54 H SER 54 7.167 9.317 -7.927 441 HA SER 54 HA SER 54 7.838 7.308 -6.064 442 HB2 SER 54 HB2 SER 54 9.681 9.000 -7.760 443 HB3 SER 54 HB3 SER 54 10.045 7.419 -7.063 444 HG SER 54 HG SER 54 9.296 7.523 -9.363 445 H HIS 55 H HIS 55 7.315 10.375 -5.300 446 HA HIS 55 HA HIS 55 9.510 11.006 -3.595 447 HB2 HIS 55 HB2 HIS 55 6.626 11.935 -3.519 448 HB3 HIS 55 HB3 HIS 55 7.917 12.607 -2.530 449 HD1 HIS 55 HD1 HIS 55 8.778 14.725 -3.451 450 HD2 HIS 55 HD2 HIS 55 7.470 12.148 -6.441 451 HE1 HIS 55 HE1 HIS 55 9.123 15.967 -5.615 452 HE2 HIS 55 HE2 HIS 55 8.122 14.473 -7.383 453 H LEU 56 H LEU 56 6.700 9.007 -3.396 454 HA LEU 56 HA LEU 56 6.571 8.708 -0.588 455 HB2 LEU 56 HB2 LEU 56 5.232 6.698 -1.043 456 HB3 LEU 56 HB3 LEU 56 4.689 8.093 -1.946 457 HG LEU 56 HG LEU 56 6.073 7.084 -3.899 458 HD11 LEU 56 HD11 LEU 56 5.685 4.640 -2.183 459 HD12 LEU 56 HD12 LEU 56 7.230 5.364 -2.630 460 HD13 LEU 56 HD13 LEU 56 6.201 4.643 -3.869 461 HD21 LEU 56 HD21 LEU 56 4.142 5.725 -4.570 462 HD22 LEU 56 HD22 LEU 56 3.663 7.288 -3.908 463 HD23 LEU 56 HD23 LEU 56 3.514 5.830 -2.924 464 H LEU 57 H LEU 57 8.848 7.617 -2.834 465 HA LEU 57 HA LEU 57 9.611 5.168 -1.617 466 HB2 LEU 57 HB2 LEU 57 10.150 5.723 -3.941 467 HB3 LEU 57 HB3 LEU 57 11.173 7.040 -3.400 468 HG LEU 57 HG LEU 57 12.674 5.397 -2.310 469 HD11 LEU 57 HD11 LEU 57 11.022 3.631 -1.926 470 HD12 LEU 57 HD12 LEU 57 12.430 3.031 -2.801 471 HD13 LEU 57 HD13 LEU 57 10.925 3.348 -3.665 472 HD21 LEU 57 HD21 LEU 57 12.157 4.898 -5.239 473 HD22 LEU 57 HD22 LEU 57 13.646 4.518 -4.372 474 HD23 LEU 57 HD23 LEU 57 13.142 6.197 -4.568 475 H ALA 58 H ALA 58 10.247 8.489 -0.889 476 HA ALA 58 HA ALA 58 12.728 8.251 0.391 477 HB1 ALA 58 HB1 ALA 58 11.745 10.397 -0.281 478 HB2 ALA 58 HB2 ALA 58 12.269 10.395 1.402 479 HB3 ALA 58 HB3 ALA 58 10.556 10.243 1.012 480 HA PRO 59 HA PRO 59 10.445 7.572 4.589 481 HB2 PRO 59 HB2 PRO 59 7.834 6.814 4.493 482 HB3 PRO 59 HB3 PRO 59 8.370 8.482 4.687 483 HG2 PRO 59 HG2 PRO 59 7.442 7.075 2.226 484 HG3 PRO 59 HG3 PRO 59 7.059 8.711 2.791 485 HD2 PRO 59 HD2 PRO 59 8.894 8.242 0.865 486 HD3 PRO 59 HD3 PRO 59 9.051 9.581 2.020 487 H ILE 60 H ILE 60 9.597 5.693 1.754 488 HA ILE 60 HA ILE 60 9.416 3.185 3.138 489 HB ILE 60 HB ILE 60 9.907 3.773 0.204 490 HG12 ILE 60 HG12 ILE 60 7.750 4.608 0.968 491 HG13 ILE 60 HG13 ILE 60 7.518 3.201 -0.063 492 HG21 ILE 60 HG21 ILE 60 10.699 1.549 0.737 493 HG22 ILE 60 HG22 ILE 60 9.210 1.450 -0.200 494 HG23 ILE 60 HG23 ILE 60 9.175 1.170 1.540 495 HD11 ILE 60 HD11 ILE 60 7.167 1.811 1.916 496 HD12 ILE 60 HD12 ILE 60 6.022 3.151 1.839 497 HD13 ILE 60 HD13 ILE 60 7.394 3.227 2.943 498 H LYS 61 H LYS 61 11.963 5.192 1.968 499 HA LYS 61 HA LYS 61 13.903 3.123 1.666 500 HB2 LYS 61 HB2 LYS 61 14.120 5.336 0.565 501 HB3 LYS 61 HB3 LYS 61 14.387 6.065 2.145 502 HG2 LYS 61 HG2 LYS 61 16.452 5.590 0.783 503 HG3 LYS 61 HG3 LYS 61 16.450 4.943 2.427 504 HD2 LYS 61 HD2 LYS 61 15.724 2.759 1.530 505 HD3 LYS 61 HD3 LYS 61 15.821 3.421 -0.101 506 HE2 LYS 61 HE2 LYS 61 18.182 3.711 0.081 507 HE3 LYS 61 HE3 LYS 61 18.149 3.330 1.806 508 HZ1 LYS 61 HZ1 LYS 61 17.482 1.081 1.282 509 HZ2 LYS 61 HZ2 LYS 61 18.920 1.456 0.461 510 HZ3 LYS 61 HZ3 LYS 61 17.444 1.436 -0.374 511 H GLU 62 H GLU 62 13.004 5.267 4.335 512 HA GLU 62 HA GLU 62 15.148 4.444 5.995 513 HB2 GLU 62 HB2 GLU 62 13.993 5.600 7.780 514 HB3 GLU 62 HB3 GLU 62 14.003 6.581 6.332 515 HG2 GLU 62 HG2 GLU 62 11.711 6.111 5.912 516 HG3 GLU 62 HG3 GLU 62 11.672 4.888 7.183 517 H VAL 63 H VAL 63 11.852 3.285 5.496 518 HA VAL 63 HA VAL 63 11.966 1.438 7.681 519 HB VAL 63 HB VAL 63 9.911 0.506 6.890 520 HG11 VAL 63 HG11 VAL 63 8.488 2.487 6.707 521 HG12 VAL 63 HG12 VAL 63 9.918 3.475 6.406 522 HG13 VAL 63 HG13 VAL 63 9.717 2.664 7.960 523 HG21 VAL 63 HG21 VAL 63 10.343 2.003 4.314 524 HG22 VAL 63 HG22 VAL 63 8.886 1.108 4.749 525 HG23 VAL 63 HG23 VAL 63 10.414 0.254 4.535 526 H ASP 64 H ASP 64 12.751 1.385 4.286 527 HA ASP 64 HA ASP 64 13.360 -1.317 3.924 528 HB2 ASP 64 HB2 ASP 64 13.429 -0.100 1.957 529 HB3 ASP 64 HB3 ASP 64 14.255 1.261 2.703 530 H THR 65 H THR 65 15.513 1.346 4.857 531 HA THR 65 HA THR 65 17.743 -0.360 5.331 532 HB THR 65 HB THR 65 17.354 2.498 6.236 533 HG1 THR 65 HG1 THR 65 17.302 1.540 3.777 534 HG21 THR 65 HG21 THR 65 19.799 2.623 6.053 535 HG22 THR 65 HG22 THR 65 19.855 0.919 5.601 536 HG23 THR 65 HG23 THR 65 19.313 1.386 7.214 537 H SER 66 H SER 66 15.009 0.412 7.172 538 HA SER 66 HA SER 66 16.061 0.253 9.786 539 HB2 SER 66 HB2 SER 66 13.801 1.132 9.211 540 HB3 SER 66 HB3 SER 66 13.285 -0.511 8.837 541 HG SER 66 HG SER 66 12.972 0.538 11.085 542 H GLY 67 H GLY 67 15.773 -2.105 7.362 543 HA2 GLY 67 HA2 GLY 67 17.148 -4.095 7.922 544 HA3 GLY 67 HA3 GLY 67 16.209 -4.200 9.402 545 H LYS 68 H LYS 68 14.160 -3.268 6.950 546 HA LYS 68 HA LYS 68 13.489 -6.072 6.379 547 HB2 LYS 68 HB2 LYS 68 11.086 -5.366 6.327 548 HB3 LYS 68 HB3 LYS 68 11.839 -5.308 7.913 549 HG2 LYS 68 HG2 LYS 68 12.203 -2.762 6.817 550 HG3 LYS 68 HG3 LYS 68 10.546 -3.225 6.423 551 HD2 LYS 68 HD2 LYS 68 10.579 -2.087 8.556 552 HD3 LYS 68 HD3 LYS 68 10.180 -3.788 8.808 553 HE2 LYS 68 HE2 LYS 68 12.469 -4.251 9.467 554 HE3 LYS 68 HE3 LYS 68 12.922 -2.578 9.150 555 HZ1 LYS 68 HZ1 LYS 68 11.112 -3.594 11.274 556 HZ2 LYS 68 HZ2 LYS 68 11.237 -1.951 10.884 557 HZ3 LYS 68 HZ3 LYS 68 12.588 -2.783 11.476 558 H HIS 69 H HIS 69 15.115 -5.129 4.698 559 HA HIS 69 HA HIS 69 14.255 -3.491 2.588 560 HB2 HIS 69 HB2 HIS 69 16.178 -5.829 2.446 561 HB3 HIS 69 HB3 HIS 69 16.024 -4.555 1.247 562 HD1 HIS 69 HD1 HIS 69 16.997 -2.210 1.871 563 HD2 HIS 69 HD2 HIS 69 17.713 -5.205 4.673 564 HE1 HIS 69 HE1 HIS 69 18.841 -1.337 3.346 565 HE2 HIS 69 HE2 HIS 69 19.328 -3.201 4.976 566 H ASP 70 H ASP 70 13.998 -6.968 3.095 567 HA ASP 70 HA ASP 70 13.008 -7.676 0.566 568 HB2 ASP 70 HB2 ASP 70 12.392 -9.026 3.205 569 HB3 ASP 70 HB3 ASP 70 12.283 -9.753 1.606 570 H VAL 71 H VAL 71 11.374 -6.787 3.560 571 HA VAL 71 HA VAL 71 8.735 -7.136 2.640 572 HB VAL 71 HB VAL 71 9.698 -5.197 4.756 573 HG11 VAL 71 HG11 VAL 71 7.406 -4.774 4.049 574 HG12 VAL 71 HG12 VAL 71 7.438 -5.439 5.681 575 HG13 VAL 71 HG13 VAL 71 6.994 -6.467 4.318 576 HG21 VAL 71 HG21 VAL 71 8.833 -8.072 5.060 577 HG22 VAL 71 HG22 VAL 71 9.265 -6.970 6.368 578 HG23 VAL 71 HG23 VAL 71 10.485 -7.473 5.200 579 H ALA 72 H ALA 72 10.855 -4.294 2.769 580 HA ALA 72 HA ALA 72 9.078 -2.374 1.832 581 HB1 ALA 72 HB1 ALA 72 11.279 -1.858 2.778 582 HB2 ALA 72 HB2 ALA 72 11.038 -1.069 1.218 583 HB3 ALA 72 HB3 ALA 72 12.049 -2.511 1.332 584 H GLN 73 H GLN 73 11.305 -4.438 -0.033 585 HA GLN 73 HA GLN 73 10.648 -3.463 -2.566 586 HB2 GLN 73 HB2 GLN 73 11.691 -6.124 -1.624 587 HB3 GLN 73 HB3 GLN 73 11.463 -5.745 -3.317 588 HG2 GLN 73 HG2 GLN 73 12.976 -3.744 -1.816 589 HG3 GLN 73 HG3 GLN 73 13.738 -5.330 -1.941 590 HE21 GLN 73 HE21 GLN 73 12.554 -2.579 -3.690 591 HE22 GLN 73 HE22 GLN 73 13.310 -2.935 -5.199 592 H ARG 74 H ARG 74 9.317 -6.162 -0.719 593 HA ARG 74 HA ARG 74 7.435 -6.993 -2.628 594 HB2 ARG 74 HB2 ARG 74 7.758 -7.353 0.290 595 HB3 ARG 74 HB3 ARG 74 6.134 -7.590 -0.341 596 HG2 ARG 74 HG2 ARG 74 7.301 -9.695 -0.245 597 HG3 ARG 74 HG3 ARG 74 7.010 -9.251 -1.926 598 HD2 ARG 74 HD2 ARG 74 9.321 -8.420 -2.078 599 HD3 ARG 74 HD3 ARG 74 9.599 -8.926 -0.412 600 HE ARG 74 HE ARG 74 8.716 -10.977 -2.294 601 HH11 ARG 74 HH11 ARG 74 11.349 -9.513 -0.504 602 HH12 ARG 74 HH12 ARG 74 12.416 -10.864 -0.723 603 HH21 ARG 74 HH21 ARG 74 10.110 -12.745 -2.585 604 HH22 ARG 74 HH22 ARG 74 11.708 -12.712 -1.890 605 H LEU 75 H LEU 75 7.216 -4.496 -0.119 606 HA LEU 75 HA LEU 75 4.474 -3.949 -0.376 607 HB2 LEU 75 HB2 LEU 75 6.735 -2.121 0.431 608 HB3 LEU 75 HB3 LEU 75 5.036 -1.729 0.607 609 HG LEU 75 HG LEU 75 6.479 -3.989 1.999 610 HD11 LEU 75 HD11 LEU 75 5.390 -1.376 3.031 611 HD12 LEU 75 HD12 LEU 75 7.091 -1.821 2.893 612 HD13 LEU 75 HD13 LEU 75 6.043 -2.677 4.025 613 HD21 LEU 75 HD21 LEU 75 4.164 -4.573 1.511 614 HD22 LEU 75 HD22 LEU 75 3.620 -3.055 2.225 615 HD23 LEU 75 HD23 LEU 75 4.388 -4.280 3.234 616 H GLN 76 H GLN 76 7.252 -2.706 -2.169 617 HA GLN 76 HA GLN 76 6.034 -0.686 -3.660 618 HB2 GLN 76 HB2 GLN 76 8.014 -2.631 -4.844 619 HB3 GLN 76 HB3 GLN 76 7.794 -0.935 -5.241 620 HG2 GLN 76 HG2 GLN 76 8.580 -1.571 -2.469 621 HG3 GLN 76 HG3 GLN 76 9.780 -1.829 -3.731 622 HE21 GLN 76 HE21 GLN 76 11.110 -0.175 -3.070 623 HE22 GLN 76 HE22 GLN 76 10.687 1.491 -3.226 624 H GLN 77 H GLN 77 6.370 -4.117 -4.361 625 HA GLN 77 HA GLN 77 4.978 -4.141 -6.807 626 HB2 GLN 77 HB2 GLN 77 5.501 -6.345 -4.810 627 HB3 GLN 77 HB3 GLN 77 4.854 -6.606 -6.425 628 HG2 GLN 77 HG2 GLN 77 6.854 -5.843 -7.444 629 HG3 GLN 77 HG3 GLN 77 7.489 -5.257 -5.907 630 HE21 GLN 77 HE21 GLN 77 8.365 -6.703 -4.459 631 HE22 GLN 77 HE22 GLN 77 8.732 -8.337 -4.885 632 H ARG 78 H ARG 78 3.836 -4.017 -3.565 633 HA ARG 78 HA ARG 78 1.271 -5.187 -4.026 634 HB2 ARG 78 HB2 ARG 78 2.588 -3.747 -1.808 635 HB3 ARG 78 HB3 ARG 78 0.840 -3.597 -1.876 636 HG2 ARG 78 HG2 ARG 78 1.571 -5.425 -0.415 637 HG3 ARG 78 HG3 ARG 78 0.589 -5.998 -1.763 638 HD2 ARG 78 HD2 ARG 78 2.496 -6.834 -2.901 639 HD3 ARG 78 HD3 ARG 78 3.595 -6.016 -1.793 640 HE ARG 78 HE ARG 78 2.492 -7.580 -0.065 641 HH11 ARG 78 HH11 ARG 78 3.092 -8.411 -3.416 642 HH12 ARG 78 HH12 ARG 78 3.343 -10.099 -3.076 643 HH21 ARG 78 HH21 ARG 78 2.823 -9.799 0.374 644 HH22 ARG 78 HH22 ARG 78 3.191 -10.886 -0.937 645 H VAL 79 H VAL 79 2.386 -1.806 -3.721 646 HA VAL 79 HA VAL 79 -0.204 -0.721 -4.051 647 HB VAL 79 HB VAL 79 0.906 1.458 -4.378 648 HG11 VAL 79 HG11 VAL 79 1.965 1.570 -2.169 649 HG12 VAL 79 HG12 VAL 79 2.007 -0.192 -2.109 650 HG13 VAL 79 HG13 VAL 79 0.458 0.651 -2.130 651 HG21 VAL 79 HG21 VAL 79 3.334 1.638 -4.203 652 HG22 VAL 79 HG22 VAL 79 2.862 0.721 -5.635 653 HG23 VAL 79 HG23 VAL 79 3.467 -0.121 -4.209 654 H THR 80 H THR 80 2.365 -1.445 -6.349 655 HA THR 80 HA THR 80 1.245 -0.133 -8.575 656 HB THR 80 HB THR 80 2.897 -2.668 -8.659 657 HG1 THR 80 HG1 THR 80 4.014 -0.076 -8.818 658 HG21 THR 80 HG21 THR 80 3.674 -1.764 -10.807 659 HG22 THR 80 HG22 THR 80 2.613 -0.369 -10.605 660 HG23 THR 80 HG23 THR 80 1.923 -1.980 -10.803 661 H ALA 81 H ALA 81 0.775 -3.377 -7.243 662 HA ALA 81 HA ALA 81 -0.853 -4.347 -9.355 663 HB1 ALA 81 HB1 ALA 81 0.327 -5.819 -7.782 664 HB2 ALA 81 HB2 ALA 81 -1.399 -6.172 -7.849 665 HB3 ALA 81 HB3 ALA 81 -0.733 -5.272 -6.485 666 H ILE 82 H ILE 82 -1.531 -2.724 -6.301 667 HA ILE 82 HA ILE 82 -4.347 -2.944 -6.361 668 HB ILE 82 HB ILE 82 -2.724 -0.689 -5.158 669 HG12 ILE 82 HG12 ILE 82 -3.653 -3.234 -3.812 670 HG13 ILE 82 HG13 ILE 82 -2.020 -2.988 -4.419 671 HG21 ILE 82 HG21 ILE 82 -4.635 -0.438 -3.647 672 HG22 ILE 82 HG22 ILE 82 -5.484 -1.723 -4.507 673 HG23 ILE 82 HG23 ILE 82 -5.107 -0.209 -5.330 674 HD11 ILE 82 HD11 ILE 82 -2.159 -2.617 -2.018 675 HD12 ILE 82 HD12 ILE 82 -3.356 -1.347 -2.280 676 HD13 ILE 82 HD13 ILE 82 -1.707 -1.143 -2.872 677 H MET 83 H MET 83 -2.163 -0.347 -7.362 678 HA MET 83 HA MET 83 -4.096 1.433 -8.308 679 HB2 MET 83 HB2 MET 83 -1.921 2.270 -7.914 680 HB3 MET 83 HB3 MET 83 -1.177 1.060 -8.951 681 HG2 MET 83 HG2 MET 83 -1.953 2.125 -10.906 682 HG3 MET 83 HG3 MET 83 -3.036 3.174 -9.995 683 HE1 MET 83 HE1 MET 83 -0.651 5.662 -8.270 684 HE2 MET 83 HE2 MET 83 -1.326 4.180 -7.591 685 HE3 MET 83 HE3 MET 83 -2.323 5.214 -8.616 686 H ARG 84 H ARG 84 -2.422 -1.208 -9.955 687 HA ARG 84 HA ARG 84 -3.203 -0.449 -12.562 688 HB2 ARG 84 HB2 ARG 84 -1.352 -2.085 -11.847 689 HB3 ARG 84 HB3 ARG 84 -2.630 -3.291 -11.754 690 HG2 ARG 84 HG2 ARG 84 -1.480 -3.385 -13.894 691 HG3 ARG 84 HG3 ARG 84 -3.169 -2.910 -14.105 692 HD2 ARG 84 HD2 ARG 84 -2.416 -0.531 -14.145 693 HD3 ARG 84 HD3 ARG 84 -0.751 -1.108 -14.127 694 HE ARG 84 HE ARG 84 -1.714 -2.391 -16.257 695 HH11 ARG 84 HH11 ARG 84 -1.963 0.958 -15.265 696 HH12 ARG 84 HH12 ARG 84 -2.146 1.564 -16.885 697 HH21 ARG 84 HH21 ARG 84 -1.910 -1.592 -18.402 698 HH22 ARG 84 HH22 ARG 84 -2.056 0.124 -18.666 699 H TYR 85 H TYR 85 -4.824 -2.308 -10.070 700 HA TYR 85 HA TYR 85 -6.844 -3.362 -11.804 701 HB2 TYR 85 HB2 TYR 85 -6.124 -4.248 -9.496 702 HB3 TYR 85 HB3 TYR 85 -7.113 -2.956 -8.827 703 HD1 TYR 85 HD2 TYR 85 -7.284 -5.877 -11.124 704 HD2 TYR 85 HD1 TYR 85 -9.396 -3.320 -8.457 705 HE1 TYR 85 HE2 TYR 85 -9.252 -7.337 -11.297 706 HE2 TYR 85 HE1 TYR 85 -11.375 -4.774 -8.625 707 HH TYR 85 HH TYR 85 -12.336 -6.418 -10.133 708 H ALA 86 H ALA 86 -6.424 -0.485 -9.856 709 HA ALA 86 HA ALA 86 -9.110 0.420 -9.933 710 HB1 ALA 86 HB1 ALA 86 -7.536 1.190 -8.246 711 HB2 ALA 86 HB2 ALA 86 -8.202 2.549 -9.148 712 HB3 ALA 86 HB3 ALA 86 -6.568 1.980 -9.492 713 H VAL 87 H VAL 87 -6.574 0.489 -12.256 714 HA VAL 87 HA VAL 87 -7.291 2.683 -13.833 715 HB VAL 87 HB VAL 87 -6.290 0.006 -14.826 716 HG11 VAL 87 HG11 VAL 87 -7.174 1.399 -16.616 717 HG12 VAL 87 HG12 VAL 87 -5.418 1.280 -16.729 718 HG13 VAL 87 HG13 VAL 87 -6.161 2.745 -16.087 719 HG21 VAL 87 HG21 VAL 87 -4.056 0.994 -14.698 720 HG22 VAL 87 HG22 VAL 87 -4.820 0.911 -13.111 721 HG23 VAL 87 HG23 VAL 87 -4.742 2.447 -13.972 722 H GLN 88 H GLN 88 -8.506 -0.634 -13.795 723 HA GLN 88 HA GLN 88 -10.272 -0.312 -16.011 724 HB2 GLN 88 HB2 GLN 88 -9.353 -2.499 -15.267 725 HB3 GLN 88 HB3 GLN 88 -10.307 -2.378 -13.798 726 HG2 GLN 88 HG2 GLN 88 -12.356 -2.400 -15.148 727 HG3 GLN 88 HG3 GLN 88 -11.374 -2.573 -16.603 728 HE21 GLN 88 HE21 GLN 88 -12.303 -4.545 -17.124 729 HE22 GLN 88 HE22 GLN 88 -11.932 -5.993 -16.247 730 H ASN 89 H ASN 89 -10.413 0.404 -12.664 731 HA ASN 89 HA ASN 89 -13.306 0.472 -12.542 732 HB2 ASN 89 HB2 ASN 89 -11.187 1.156 -10.497 733 HB3 ASN 89 HB3 ASN 89 -12.920 1.190 -10.184 734 HD21 ASN 89 HD21 ASN 89 -13.578 -1.138 -11.713 735 HD22 ASN 89 HD22 ASN 89 -12.953 -2.503 -10.850 736 H ASP 90 H ASP 90 -11.166 2.460 -13.909 737 HA ASP 90 HA ASP 90 -11.435 4.510 -14.850 738 HB2 ASP 90 HB2 ASP 90 -13.798 3.956 -15.088 739 HB3 ASP 90 HB3 ASP 90 -14.114 4.477 -13.440 740 H TYR 91 H TYR 91 -10.856 4.007 -11.703 741 HA TYR 91 HA TYR 91 -11.367 6.524 -10.515 742 HB2 TYR 91 HB2 TYR 91 -9.534 4.255 -9.779 743 HB3 TYR 91 HB3 TYR 91 -9.566 5.747 -8.848 744 HD1 TYR 91 HD2 TYR 91 -12.068 6.514 -8.206 745 HD2 TYR 91 HD1 TYR 91 -10.851 2.521 -9.014 746 HE1 TYR 91 HE2 TYR 91 -13.979 5.674 -6.907 747 HE2 TYR 91 HE1 TYR 91 -12.763 1.672 -7.721 748 HH TYR 91 HH TYR 91 -15.361 3.588 -6.804 749 H ILE 92 H ILE 92 -8.363 5.172 -11.887 750 HA ILE 92 HA ILE 92 -7.144 7.819 -11.532 751 HB ILE 92 HB ILE 92 -4.981 6.676 -11.877 752 HG12 ILE 92 HG12 ILE 92 -6.677 4.169 -11.854 753 HG13 ILE 92 HG13 ILE 92 -5.794 4.805 -13.239 754 HG21 ILE 92 HG21 ILE 92 -5.811 7.051 -9.629 755 HG22 ILE 92 HG22 ILE 92 -4.950 5.514 -9.713 756 HG23 ILE 92 HG23 ILE 92 -6.713 5.538 -9.690 757 HD11 ILE 92 HD11 ILE 92 -4.636 2.943 -12.183 758 HD12 ILE 92 HD12 ILE 92 -4.555 3.854 -10.674 759 HD13 ILE 92 HD13 ILE 92 -3.693 4.432 -12.101 760 H ASP 93 H ASP 93 -5.697 8.609 -13.181 761 HA ASP 93 HA ASP 93 -6.547 7.830 -15.889 762 HB2 ASP 93 HB2 ASP 93 -7.198 10.110 -15.378 763 HB3 ASP 93 HB3 ASP 93 -5.566 10.499 -14.851 764 H SER 94 H SER 94 -3.829 8.464 -13.785 765 HA SER 94 HA SER 94 -2.066 7.337 -15.845 766 HB2 SER 94 HB2 SER 94 -1.717 9.804 -15.637 767 HB3 SER 94 HB3 SER 94 -1.288 9.565 -13.942 768 HG SER 94 HG SER 94 0.652 9.411 -14.823 769 H ASN 95 H ASN 95 -0.168 6.244 -14.973 770 HA ASN 95 HA ASN 95 -0.677 5.139 -12.283 771 HB2 ASN 95 HB2 ASN 95 0.476 3.847 -14.751 772 HB3 ASN 95 HB3 ASN 95 0.721 3.164 -13.151 773 HD21 ASN 95 HD21 ASN 95 -2.217 4.745 -14.257 774 HD22 ASN 95 HD22 ASN 95 -3.206 3.334 -14.216 775 HA PRO 96 HA PRO 96 3.350 7.352 -11.844 776 HB2 PRO 96 HB2 PRO 96 2.491 7.529 -9.042 777 HB3 PRO 96 HB3 PRO 96 2.963 8.817 -10.152 778 HG2 PRO 96 HG2 PRO 96 0.415 8.483 -9.356 779 HG3 PRO 96 HG3 PRO 96 0.827 9.072 -10.978 780 HD2 PRO 96 HD2 PRO 96 -0.014 6.329 -10.112 781 HD3 PRO 96 HD3 PRO 96 -0.490 7.252 -11.553 782 H ALA 97 H ALA 97 1.903 4.599 -10.388 783 HA ALA 97 HA ALA 97 4.093 3.903 -8.666 784 HB1 ALA 97 HB1 ALA 97 1.786 3.243 -8.155 785 HB2 ALA 97 HB2 ALA 97 2.870 1.854 -8.245 786 HB3 ALA 97 HB3 ALA 97 1.776 2.208 -9.583 787 H SER 98 H SER 98 4.059 4.005 -11.872 788 HA SER 98 HA SER 98 5.279 1.425 -12.404 789 HB2 SER 98 HB2 SER 98 4.869 3.772 -14.270 790 HB3 SER 98 HB3 SER 98 5.276 2.119 -14.729 791 HG SER 98 HG SER 98 2.972 2.812 -14.842 792 H ASP 99 H ASP 99 6.315 4.381 -11.240 793 HA ASP 99 HA ASP 99 8.984 4.079 -12.454 794 HB2 ASP 99 HB2 ASP 99 7.965 6.243 -12.930 795 HB3 ASP 99 HB3 ASP 99 7.718 6.529 -11.211 796 H MET 100 H MET 100 7.277 4.509 -9.411 797 HA MET 100 HA MET 100 9.606 4.934 -7.863 798 HB2 MET 100 HB2 MET 100 7.930 4.350 -5.934 799 HB3 MET 100 HB3 MET 100 7.784 5.850 -6.834 800 HG2 MET 100 HG2 MET 100 5.608 4.986 -6.602 801 HG3 MET 100 HG3 MET 100 6.080 4.703 -8.275 802 HE1 MET 100 HE1 MET 100 5.901 1.461 -5.007 803 HE2 MET 100 HE2 MET 100 5.431 3.145 -4.768 804 HE3 MET 100 HE3 MET 100 7.125 2.731 -5.024 805 H ALA 101 H ALA 101 7.989 2.047 -8.888 806 HA ALA 101 HA ALA 101 9.190 0.397 -6.839 807 HB1 ALA 101 HB1 ALA 101 6.927 -0.090 -7.624 808 HB2 ALA 101 HB2 ALA 101 8.016 -1.444 -7.926 809 HB3 ALA 101 HB3 ALA 101 7.547 -0.374 -9.249 810 H GLY 102 H GLY 102 11.062 -0.565 -6.989 811 HA2 GLY 102 HA2 GLY 102 12.124 -1.306 -9.621 812 HA3 GLY 102 HA3 GLY 102 13.135 -0.361 -8.537 813 H ALA 103 H ALA 103 14.268 -2.618 -9.212 814 HA ALA 103 HA ALA 103 13.813 -4.394 -6.902 815 HB1 ALA 103 HB1 ALA 103 14.367 -6.315 -8.291 816 HB2 ALA 103 HB2 ALA 103 14.578 -5.265 -9.690 817 HB3 ALA 103 HB3 ALA 103 12.984 -5.448 -8.958 818 H LEU 104 H LEU 104 15.471 -3.848 -5.613 819 HA LEU 104 HA LEU 104 18.171 -3.883 -6.772 820 HB2 LEU 104 HB2 LEU 104 18.809 -2.763 -4.569 821 HB3 LEU 104 HB3 LEU 104 17.945 -1.809 -5.755 822 HG LEU 104 HG LEU 104 15.830 -2.467 -4.382 823 HD11 LEU 104 HD11 LEU 104 16.262 -2.792 -2.005 824 HD12 LEU 104 HD12 LEU 104 17.994 -2.869 -2.324 825 HD13 LEU 104 HD13 LEU 104 16.925 -4.120 -2.959 826 HD21 LEU 104 HD21 LEU 104 16.703 -0.205 -4.597 827 HD22 LEU 104 HD22 LEU 104 17.884 -0.527 -3.329 828 HD23 LEU 104 HD23 LEU 104 16.162 -0.513 -2.948 829 H SER 105 H SER 105 16.046 -5.362 -4.458 830 HA SER 105 HA SER 105 18.104 -7.186 -3.536 831 HB2 SER 105 HB2 SER 105 15.095 -7.288 -3.156 832 HB3 SER 105 HB3 SER 105 16.285 -8.269 -2.300 833 HG SER 105 HG SER 105 17.132 -6.331 -1.413 834 H THR 106 H THR 106 15.064 -7.404 -5.354 835 HA THR 106 HA THR 106 14.494 -8.479 -7.265 836 HB THR 106 HB THR 106 17.385 -9.294 -7.531 837 HG1 THR 106 HG1 THR 106 17.652 -7.190 -7.661 838 HG21 THR 106 HG21 THR 106 15.824 -10.459 -9.035 839 HG22 THR 106 HG22 THR 106 16.889 -9.368 -9.921 840 HG23 THR 106 HG23 THR 106 15.219 -8.901 -9.601 841 H THR 107 H THR 107 13.482 -10.347 -7.543 842 HA THR 107 HA THR 107 14.777 -12.842 -6.778 843 HB THR 107 HB THR 107 12.404 -13.610 -6.013 844 HG1 THR 107 HG1 THR 107 12.229 -10.939 -5.105 845 HG21 THR 107 HG21 THR 107 14.152 -11.906 -4.238 846 HG22 THR 107 HG22 THR 107 14.356 -13.629 -4.557 847 HG23 THR 107 HG23 THR 107 12.937 -13.056 -3.679 848 H LYS 108 H LYS 108 14.817 -13.979 -8.583 849 HA LYS 108 HA LYS 108 12.448 -13.961 -10.303 850 HB2 LYS 108 HB2 LYS 108 15.065 -13.039 -11.012 851 HB3 LYS 108 HB3 LYS 108 14.678 -14.471 -11.961 852 HG2 LYS 108 HG2 LYS 108 14.008 -12.346 -13.040 853 HG3 LYS 108 HG3 LYS 108 12.664 -13.463 -12.778 854 HD2 LYS 108 HD2 LYS 108 12.773 -11.970 -10.449 855 HD3 LYS 108 HD3 LYS 108 13.096 -10.803 -11.722 856 HE2 LYS 108 HE2 LYS 108 10.784 -12.717 -11.772 857 HE3 LYS 108 HE3 LYS 108 10.688 -11.094 -11.097 858 HZ1 LYS 108 HZ1 LYS 108 9.887 -11.139 -13.369 859 HZ2 LYS 108 HZ2 LYS 108 11.361 -11.774 -13.913 860 HZ3 LYS 108 HZ3 LYS 108 11.300 -10.204 -13.275 861 H ALA 109 H ALA 109 11.710 -15.810 -9.513 862 HA ALA 109 HA ALA 109 12.720 -18.236 -10.607 863 HB1 ALA 109 HB1 ALA 109 12.983 -17.937 -7.612 864 HB2 ALA 109 HB2 ALA 109 14.319 -18.040 -8.758 865 HB3 ALA 109 HB3 ALA 109 13.241 -19.418 -8.532 866 H ARG 110 H ARG 110 10.676 -16.594 -8.300 867 HA ARG 110 HA ARG 110 8.721 -18.731 -8.248 868 HB2 ARG 110 HB2 ARG 110 9.102 -17.520 -6.194 869 HB3 ARG 110 HB3 ARG 110 8.792 -15.985 -6.990 870 HG2 ARG 110 HG2 ARG 110 6.916 -16.684 -5.602 871 HG3 ARG 110 HG3 ARG 110 6.467 -16.583 -7.303 872 HD2 ARG 110 HD2 ARG 110 6.629 -18.988 -7.524 873 HD3 ARG 110 HD3 ARG 110 7.195 -19.129 -5.859 874 HE ARG 110 HE ARG 110 4.870 -17.919 -5.469 875 HH11 ARG 110 HH11 ARG 110 5.629 -20.601 -7.604 876 HH12 ARG 110 HH12 ARG 110 4.067 -21.336 -7.442 877 HH21 ARG 110 HH21 ARG 110 2.807 -18.880 -5.261 878 HH22 ARG 110 HH22 ARG 110 2.451 -20.355 -6.116 879 H HIS 111 H HIS 111 7.712 -18.965 -10.129 880 HA HIS 111 HA HIS 111 5.833 -17.016 -10.988 881 HB2 HIS 111 HB2 HIS 111 7.726 -15.936 -12.031 882 HB3 HIS 111 HB3 HIS 111 8.273 -17.456 -12.726 883 HD1 HIS 111 HD1 HIS 111 5.293 -15.082 -13.010 884 HD2 HIS 111 HD2 HIS 111 7.390 -17.894 -15.258 885 HE1 HIS 111 HE1 HIS 111 4.292 -14.999 -15.315 886 HE2 HIS 111 HE2 HIS 111 5.652 -16.617 -16.691 887 H TYR 112 H TYR 112 4.359 -18.641 -10.837 888 HA TYR 112 HA TYR 112 4.610 -20.767 -12.856 889 HB2 TYR 112 HB2 TYR 112 4.579 -21.605 -10.489 890 HB3 TYR 112 HB3 TYR 112 2.978 -20.895 -10.305 891 HD1 TYR 112 HD2 TYR 112 4.910 -23.473 -12.132 892 HD2 TYR 112 HD1 TYR 112 1.046 -22.021 -11.093 893 HE1 TYR 112 HE2 TYR 112 3.904 -25.531 -13.023 894 HE2 TYR 112 HE1 TYR 112 0.029 -24.077 -11.978 895 HH TYR 112 HH TYR 112 0.633 -25.840 -13.681 896 HA PRO 113 HA PRO 113 1.187 -18.240 -14.330 897 HB2 PRO 113 HB2 PRO 113 1.483 -18.805 -16.932 898 HB3 PRO 113 HB3 PRO 113 2.590 -17.709 -16.096 899 HG2 PRO 113 HG2 PRO 113 2.961 -20.583 -16.835 900 HG3 PRO 113 HG3 PRO 113 4.118 -19.243 -16.929 901 HD2 PRO 113 HD2 PRO 113 4.049 -21.089 -14.886 902 HD3 PRO 113 HD3 PRO 113 4.724 -19.457 -14.743 903 H LEU 114 H LEU 114 -0.737 -18.716 -15.620 904 HA LEU 114 HA LEU 114 -1.372 -21.557 -15.912 905 HB2 LEU 114 HB2 LEU 114 -2.190 -20.860 -13.684 906 HB3 LEU 114 HB3 LEU 114 -3.129 -19.588 -14.440 907 HG LEU 114 HG LEU 114 -4.430 -21.332 -15.655 908 HD11 LEU 114 HD11 LEU 114 -2.927 -23.230 -13.857 909 HD12 LEU 114 HD12 LEU 114 -2.767 -23.114 -15.610 910 HD13 LEU 114 HD13 LEU 114 -4.289 -23.647 -14.898 911 HD21 LEU 114 HD21 LEU 114 -5.738 -22.043 -13.708 912 HD22 LEU 114 HD22 LEU 114 -5.298 -20.338 -13.616 913 HD23 LEU 114 HD23 LEU 114 -4.428 -21.526 -12.645 914 H GLU 115 H GLU 115 -3.298 -18.591 -16.013 915 HA GLU 115 HA GLU 115 -4.898 -17.950 -17.517 916 HB2 GLU 115 HB2 GLU 115 -2.742 -16.907 -18.283 917 HB3 GLU 115 HB3 GLU 115 -2.587 -18.217 -19.447 918 HG2 GLU 115 HG2 GLU 115 -3.511 -16.159 -20.432 919 HG3 GLU 115 HG3 GLU 115 -4.607 -17.534 -20.561 920 H HIS 116 H HIS 116 -5.573 -20.368 -17.073 921 HA HIS 116 HA HIS 116 -5.821 -21.707 -19.680 922 HB2 HIS 116 HB2 HIS 116 -4.231 -22.909 -18.241 923 HB3 HIS 116 HB3 HIS 116 -5.445 -23.009 -16.974 924 HD1 HIS 116 HD1 HIS 116 -4.468 -24.529 -20.262 925 HD2 HIS 116 HD2 HIS 116 -7.387 -24.975 -17.325 926 HE1 HIS 116 HE1 HIS 116 -5.610 -26.713 -20.758 927 HE2 HIS 116 HE2 HIS 116 -7.253 -27.044 -18.873 928 H HIS 117 H HIS 117 -7.852 -20.995 -20.147 929 HA HIS 117 HA HIS 117 -9.957 -22.309 -18.646 930 HB2 HIS 117 HB2 HIS 117 -11.379 -20.279 -18.538 931 HB3 HIS 117 HB3 HIS 117 -9.941 -20.154 -17.537 932 HD1 HIS 117 HD1 HIS 117 -11.821 -18.419 -20.111 933 HD2 HIS 117 HD2 HIS 117 -7.899 -18.421 -18.725 934 HE1 HIS 117 HE1 HIS 117 -10.802 -16.273 -20.949 935 HE2 HIS 117 HE2 HIS 117 -8.518 -16.188 -19.878 936 H HIS 118 H HIS 118 -10.971 -23.445 -20.067 937 HA HIS 118 HA HIS 118 -12.095 -22.349 -22.457 938 HB2 HIS 118 HB2 HIS 118 -9.718 -22.769 -23.160 939 HB3 HIS 118 HB3 HIS 118 -9.951 -24.469 -22.775 940 HD1 HIS 118 HD1 HIS 118 -10.697 -25.899 -24.665 941 HD2 HIS 118 HD2 HIS 118 -11.563 -21.876 -25.293 942 HE1 HIS 118 HE1 HIS 118 -11.609 -25.754 -27.011 943 HE2 HIS 118 HE2 HIS 118 -11.884 -23.281 -27.438 944 H HIS 119 H HIS 119 -13.932 -23.460 -22.875 945 HA HIS 119 HA HIS 119 -14.132 -26.233 -21.949 946 HB2 HIS 119 HB2 HIS 119 -16.378 -25.768 -20.956 947 HB3 HIS 119 HB3 HIS 119 -15.044 -25.013 -20.095 948 HD1 HIS 119 HD1 HIS 119 -15.004 -22.471 -19.972 949 HD2 HIS 119 HD2 HIS 119 -18.114 -23.965 -22.292 950 HE1 HIS 119 HE1 HIS 119 -16.527 -20.515 -20.411 951 HE2 HIS 119 HE2 HIS 119 -18.488 -21.484 -21.666 952 H HIS 120 H HIS 120 -14.947 -27.496 -23.436 953 HA HIS 120 HA HIS 120 -16.951 -26.456 -25.305 954 HB2 HIS 120 HB2 HIS 120 -14.709 -26.351 -26.408 955 HB3 HIS 120 HB3 HIS 120 -14.543 -28.086 -26.163 956 HD1 HIS 120 HD1 HIS 120 -15.542 -25.713 -28.636 957 HD2 HIS 120 HD2 HIS 120 -16.792 -29.532 -27.565 958 HE1 HIS 120 HE1 HIS 120 -16.782 -26.605 -30.630 959 HE2 HIS 120 HE2 HIS 120 -17.392 -28.970 -30.018 960 H HIS 121 H HIS 121 -18.670 -27.705 -25.016 961 HA HIS 121 HA HIS 121 -18.236 -30.518 -24.315 962 HB2 HIS 121 HB2 HIS 121 -20.468 -30.541 -23.348 963 HB3 HIS 121 HB3 HIS 121 -19.522 -29.235 -22.652 964 HD1 HIS 121 HD1 HIS 121 -20.150 -26.769 -23.555 965 HD2 HIS 121 HD2 HIS 121 -22.854 -29.806 -24.421 966 HE1 HIS 121 HE1 HIS 121 -22.295 -25.610 -24.177 967 HE2 HIS 121 HE2 HIS 121 -23.954 -27.472 -24.562 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -22.642 1.262 -5.477 2 H2 MET 1 H2 MET 1 -22.350 0.924 -7.113 3 H3 MET 1 H3 MET 1 -21.049 1.117 -6.042 4 HA MET 1 HA MET 1 -23.058 -1.053 -5.974 5 HB2 MET 1 HB2 MET 1 -20.107 -1.078 -6.666 6 HB3 MET 1 HB3 MET 1 -21.116 -2.509 -6.498 7 HG2 MET 1 HG2 MET 1 -22.502 -1.738 -8.358 8 HG3 MET 1 HG3 MET 1 -21.465 -0.324 -8.535 9 HE1 MET 1 HE1 MET 1 -21.114 -0.866 -11.076 10 HE2 MET 1 HE2 MET 1 -22.143 -2.292 -10.941 11 HE3 MET 1 HE3 MET 1 -20.553 -2.421 -11.693 12 H GLU 2 H GLU 2 -22.616 -2.669 -4.363 13 HA GLU 2 HA GLU 2 -21.843 -1.493 -1.861 14 HB2 GLU 2 HB2 GLU 2 -22.628 -4.334 -2.541 15 HB3 GLU 2 HB3 GLU 2 -22.448 -3.690 -0.913 16 HG2 GLU 2 HG2 GLU 2 -24.286 -2.195 -1.230 17 HG3 GLU 2 HG3 GLU 2 -24.395 -2.616 -2.938 18 H ASN 3 H ASN 3 -19.748 -1.166 -1.499 19 HA ASN 3 HA ASN 3 -17.903 -3.432 -1.909 20 HB2 ASN 3 HB2 ASN 3 -17.639 -1.534 -3.578 21 HB3 ASN 3 HB3 ASN 3 -17.090 -0.555 -2.219 22 HD21 ASN 3 HD21 ASN 3 -15.043 -0.350 -3.147 23 HD22 ASN 3 HD22 ASN 3 -13.914 -1.659 -3.152 24 H SER 4 H SER 4 -16.012 -3.354 -0.476 25 HA SER 4 HA SER 4 -16.796 -2.942 2.207 26 HB2 SER 4 HB2 SER 4 -13.973 -3.337 1.195 27 HB3 SER 4 HB3 SER 4 -14.611 -3.753 2.786 28 HG SER 4 HG SER 4 -16.129 -5.133 1.445 29 H GLY 5 H GLY 5 -14.839 -1.069 -0.038 30 HA2 GLY 5 HA2 GLY 5 -15.128 1.293 1.579 31 HA3 GLY 5 HA3 GLY 5 -13.484 0.675 1.543 32 H ALA 6 H ALA 6 -15.124 3.043 0.332 33 HA ALA 6 HA ALA 6 -14.729 2.795 -2.481 34 HB1 ALA 6 HB1 ALA 6 -15.266 5.252 -0.814 35 HB2 ALA 6 HB2 ALA 6 -16.493 4.221 -1.549 36 HB3 ALA 6 HB3 ALA 6 -15.389 5.140 -2.571 37 H TYR 7 H TYR 7 -13.023 3.171 -3.587 38 HA TYR 7 HA TYR 7 -10.848 3.462 -4.131 39 HB2 TYR 7 HB2 TYR 7 -10.060 5.817 -3.975 40 HB3 TYR 7 HB3 TYR 7 -11.663 5.652 -4.668 41 HD1 TYR 7 HD2 TYR 7 -9.737 6.835 -1.780 42 HD2 TYR 7 HD1 TYR 7 -13.597 6.568 -3.543 43 HE1 TYR 7 HE2 TYR 7 -10.573 8.510 -0.186 44 HE2 TYR 7 HE1 TYR 7 -14.447 8.243 -1.959 45 HH TYR 7 HH TYR 7 -12.480 10.211 -0.115 46 H THR 8 H THR 8 -11.129 2.182 -1.620 47 HA THR 8 HA THR 8 -8.994 3.258 0.036 48 HB THR 8 HB THR 8 -10.621 0.747 0.468 49 HG1 THR 8 HG1 THR 8 -11.484 3.244 0.483 50 HG21 THR 8 HG21 THR 8 -8.572 0.852 1.785 51 HG22 THR 8 HG22 THR 8 -9.978 1.078 2.826 52 HG23 THR 8 HG23 THR 8 -8.998 2.465 2.351 53 H PHE 9 H PHE 9 -6.963 2.526 -0.004 54 HA PHE 9 HA PHE 9 -5.919 1.095 -2.115 55 HB2 PHE 9 HB2 PHE 9 -4.637 2.589 -0.628 56 HB3 PHE 9 HB3 PHE 9 -4.747 1.395 0.657 57 HD1 PHE 9 HD1 PHE 9 -3.216 2.203 -2.574 58 HD2 PHE 9 HD2 PHE 9 -3.344 -0.555 0.667 59 HE1 PHE 9 HE1 PHE 9 -1.118 1.191 -3.359 60 HE2 PHE 9 HE2 PHE 9 -1.243 -1.575 -0.116 61 HZ PHE 9 HZ PHE 9 -0.128 -0.697 -2.128 62 H GLU 10 H GLU 10 -6.540 -0.102 1.173 63 HA GLU 10 HA GLU 10 -5.605 -2.718 0.670 64 HB2 GLU 10 HB2 GLU 10 -7.334 -1.534 2.829 65 HB3 GLU 10 HB3 GLU 10 -6.945 -3.249 2.790 66 HG2 GLU 10 HG2 GLU 10 -4.910 -1.036 2.858 67 HG3 GLU 10 HG3 GLU 10 -5.472 -1.930 4.270 68 H THR 11 H THR 11 -8.719 -1.183 0.258 69 HA THR 11 HA THR 11 -10.237 -3.589 0.100 70 HB THR 11 HB THR 11 -10.999 -0.870 -0.967 71 HG1 THR 11 HG1 THR 11 -11.631 -1.904 1.609 72 HG21 THR 11 HG21 THR 11 -12.656 -3.213 -0.018 73 HG22 THR 11 HG22 THR 11 -12.464 -2.685 -1.691 74 HG23 THR 11 HG23 THR 11 -13.288 -1.645 -0.528 75 H ILE 12 H ILE 12 -8.580 -1.553 -2.259 76 HA ILE 12 HA ILE 12 -9.643 -2.960 -4.530 77 HB ILE 12 HB ILE 12 -7.122 -1.286 -4.380 78 HG12 ILE 12 HG12 ILE 12 -9.934 -0.476 -5.162 79 HG13 ILE 12 HG13 ILE 12 -9.134 -0.038 -3.655 80 HG21 ILE 12 HG21 ILE 12 -7.204 -2.713 -6.349 81 HG22 ILE 12 HG22 ILE 12 -7.435 -1.023 -6.802 82 HG23 ILE 12 HG23 ILE 12 -8.820 -2.116 -6.736 83 HD11 ILE 12 HD11 ILE 12 -7.453 1.206 -4.914 84 HD12 ILE 12 HD12 ILE 12 -9.081 1.796 -5.235 85 HD13 ILE 12 HD13 ILE 12 -8.264 0.776 -6.417 86 H ALA 13 H ALA 13 -6.967 -3.321 -2.351 87 HA ALA 13 HA ALA 13 -5.449 -5.207 -3.776 88 HB1 ALA 13 HB1 ALA 13 -5.773 -4.897 -0.796 89 HB2 ALA 13 HB2 ALA 13 -4.601 -4.050 -1.805 90 HB3 ALA 13 HB3 ALA 13 -4.493 -5.800 -1.605 91 H ARG 14 H ARG 14 -8.388 -5.467 -1.942 92 HA ARG 14 HA ARG 14 -8.523 -8.137 -1.268 93 HB2 ARG 14 HB2 ARG 14 -10.234 -6.677 -0.534 94 HB3 ARG 14 HB3 ARG 14 -10.645 -6.198 -2.170 95 HG2 ARG 14 HG2 ARG 14 -12.365 -7.629 -1.347 96 HG3 ARG 14 HG3 ARG 14 -11.464 -8.505 -2.582 97 HD2 ARG 14 HD2 ARG 14 -11.708 -10.080 -0.907 98 HD3 ARG 14 HD3 ARG 14 -10.101 -9.430 -0.599 99 HE ARG 14 HE ARG 14 -11.981 -7.968 0.898 100 HH11 ARG 14 HH11 ARG 14 -10.561 -11.186 0.786 101 HH12 ARG 14 HH12 ARG 14 -10.756 -11.448 2.503 102 HH21 ARG 14 HH21 ARG 14 -12.204 -8.332 3.141 103 HH22 ARG 14 HH22 ARG 14 -11.663 -9.834 3.826 104 H GLU 15 H GLU 15 -9.014 -6.647 -4.367 105 HA GLU 15 HA GLU 15 -10.403 -8.622 -5.726 106 HB2 GLU 15 HB2 GLU 15 -10.023 -6.387 -6.618 107 HB3 GLU 15 HB3 GLU 15 -8.303 -6.705 -6.758 108 HG2 GLU 15 HG2 GLU 15 -9.207 -6.891 -8.925 109 HG3 GLU 15 HG3 GLU 15 -8.882 -8.536 -8.378 110 H TRP 16 H TRP 16 -6.852 -8.131 -5.843 111 HA TRP 16 HA TRP 16 -6.505 -10.782 -6.926 112 HB2 TRP 16 HB2 TRP 16 -4.041 -10.200 -6.810 113 HB3 TRP 16 HB3 TRP 16 -5.032 -9.176 -7.842 114 HD1 TRP 16 HD1 TRP 16 -5.207 -6.623 -7.223 115 HE1 TRP 16 HE1 TRP 16 -4.015 -5.139 -5.491 116 HE3 TRP 16 HE3 TRP 16 -3.033 -10.280 -4.390 117 HZ2 TRP 16 HZ2 TRP 16 -2.364 -5.482 -3.223 118 HZ3 TRP 16 HZ3 TRP 16 -1.669 -9.620 -2.457 119 HH2 TRP 16 HH2 TRP 16 -1.350 -7.276 -1.889 120 H HIS 17 H HIS 17 -6.252 -9.250 -3.812 121 HA HIS 17 HA HIS 17 -4.622 -10.953 -2.401 122 HB2 HIS 17 HB2 HIS 17 -5.364 -9.031 -1.275 123 HB3 HIS 17 HB3 HIS 17 -7.057 -9.387 -1.591 124 HD1 HIS 17 HD1 HIS 17 -4.184 -10.757 0.508 125 HD2 HIS 17 HD2 HIS 17 -8.341 -10.624 0.440 126 HE1 HIS 17 HE1 HIS 17 -4.935 -11.802 2.673 127 HE2 HIS 17 HE2 HIS 17 -7.445 -11.981 2.441 128 H GLU 18 H GLU 18 -7.856 -11.623 -3.528 129 HA GLU 18 HA GLU 18 -8.494 -13.697 -1.736 130 HB2 GLU 18 HB2 GLU 18 -9.441 -13.148 -4.543 131 HB3 GLU 18 HB3 GLU 18 -10.125 -14.398 -3.511 132 HG2 GLU 18 HG2 GLU 18 -10.096 -11.442 -2.964 133 HG3 GLU 18 HG3 GLU 18 -11.486 -12.416 -3.436 134 H SER 19 H SER 19 -6.114 -13.627 -4.096 135 HA SER 19 HA SER 19 -6.179 -16.432 -4.741 136 HB2 SER 19 HB2 SER 19 -5.192 -14.504 -6.164 137 HB3 SER 19 HB3 SER 19 -3.790 -14.639 -5.106 138 HG SER 19 HG SER 19 -4.923 -16.745 -6.654 139 H ASN 20 H ASN 20 -5.088 -14.545 -2.133 140 HA ASN 20 HA ASN 20 -3.215 -16.600 -1.204 141 HB2 ASN 20 HB2 ASN 20 -3.897 -13.862 -0.111 142 HB3 ASN 20 HB3 ASN 20 -2.811 -14.991 0.692 143 HD21 ASN 20 HD21 ASN 20 -0.801 -15.430 -0.207 144 HD22 ASN 20 HD22 ASN 20 -0.102 -14.400 -1.413 145 H LYS 21 H LYS 21 -3.458 -17.416 1.027 146 HA LYS 21 HA LYS 21 -6.277 -17.522 1.845 147 HB2 LYS 21 HB2 LYS 21 -4.419 -19.891 1.582 148 HB3 LYS 21 HB3 LYS 21 -6.039 -19.946 2.264 149 HG2 LYS 21 HG2 LYS 21 -5.340 -19.220 -0.574 150 HG3 LYS 21 HG3 LYS 21 -6.011 -20.757 -0.027 151 HD2 LYS 21 HD2 LYS 21 -8.035 -19.649 0.704 152 HD3 LYS 21 HD3 LYS 21 -7.355 -18.078 0.279 153 HE2 LYS 21 HE2 LYS 21 -8.904 -18.855 -1.435 154 HE3 LYS 21 HE3 LYS 21 -7.260 -18.742 -2.064 155 HZ1 LYS 21 HZ1 LYS 21 -7.012 -21.089 -1.926 156 HZ2 LYS 21 HZ2 LYS 21 -8.483 -20.789 -2.718 157 HZ3 LYS 21 HZ3 LYS 21 -8.477 -21.265 -1.090 158 H ARG 22 H ARG 22 -6.493 -18.651 4.001 159 HA ARG 22 HA ARG 22 -6.179 -18.703 6.224 160 HB2 ARG 22 HB2 ARG 22 -4.073 -19.917 5.602 161 HB3 ARG 22 HB3 ARG 22 -3.221 -18.383 5.677 162 HG2 ARG 22 HG2 ARG 22 -4.776 -19.326 8.047 163 HG3 ARG 22 HG3 ARG 22 -3.186 -20.012 7.708 164 HD2 ARG 22 HD2 ARG 22 -2.169 -17.834 7.826 165 HD3 ARG 22 HD3 ARG 22 -3.746 -17.060 7.980 166 HE ARG 22 HE ARG 22 -3.491 -18.875 10.081 167 HH11 ARG 22 HH11 ARG 22 -1.955 -15.940 8.971 168 HH12 ARG 22 HH12 ARG 22 -1.516 -15.400 10.563 169 HH21 ARG 22 HH21 ARG 22 -2.944 -18.187 12.181 170 HH22 ARG 22 HH22 ARG 22 -2.091 -16.682 12.399 171 H TRP 23 H TRP 23 -7.305 -16.817 6.528 172 HA TRP 23 HA TRP 23 -5.598 -14.592 7.437 173 HB2 TRP 23 HB2 TRP 23 -7.304 -12.984 6.620 174 HB3 TRP 23 HB3 TRP 23 -6.554 -13.888 5.306 175 HD1 TRP 23 HD1 TRP 23 -9.892 -13.308 7.019 176 HE1 TRP 23 HE1 TRP 23 -11.751 -14.490 5.678 177 HE3 TRP 23 HE3 TRP 23 -6.971 -15.948 3.763 178 HZ2 TRP 23 HZ2 TRP 23 -11.932 -16.307 3.531 179 HZ3 TRP 23 HZ3 TRP 23 -8.061 -17.386 2.097 180 HH2 TRP 23 HH2 TRP 23 -10.489 -17.562 1.989 181 H SER 24 H SER 24 -7.157 -12.996 8.702 182 HA SER 24 HA SER 24 -9.375 -14.257 10.028 183 HB2 SER 24 HB2 SER 24 -8.395 -13.694 12.324 184 HB3 SER 24 HB3 SER 24 -7.715 -15.103 11.508 185 HG SER 24 HG SER 24 -5.858 -14.153 11.606 186 H GLU 25 H GLU 25 -10.884 -12.758 9.988 187 HA GLU 25 HA GLU 25 -10.384 -10.103 9.236 188 HB2 GLU 25 HB2 GLU 25 -12.832 -11.422 10.392 189 HB3 GLU 25 HB3 GLU 25 -12.810 -9.753 9.837 190 HG2 GLU 25 HG2 GLU 25 -12.154 -12.141 8.127 191 HG3 GLU 25 HG3 GLU 25 -13.718 -11.328 8.170 192 H ASP 26 H ASP 26 -10.609 -11.578 12.385 193 HA ASP 26 HA ASP 26 -11.076 -9.146 13.810 194 HB2 ASP 26 HB2 ASP 26 -10.039 -11.837 14.699 195 HB3 ASP 26 HB3 ASP 26 -10.325 -10.498 15.808 196 H HIS 27 H HIS 27 -8.172 -11.126 13.279 197 HA HIS 27 HA HIS 27 -6.451 -9.302 14.623 198 HB2 HIS 27 HB2 HIS 27 -5.836 -11.559 12.710 199 HB3 HIS 27 HB3 HIS 27 -4.609 -10.646 13.583 200 HD1 HIS 27 HD1 HIS 27 -5.646 -13.808 13.832 201 HD2 HIS 27 HD2 HIS 27 -6.006 -10.674 16.548 202 HE1 HIS 27 HE1 HIS 27 -5.946 -14.887 16.082 203 HE2 HIS 27 HE2 HIS 27 -6.324 -12.979 17.684 204 H ARG 28 H ARG 28 -7.598 -9.646 11.379 205 HA ARG 28 HA ARG 28 -5.919 -8.131 9.848 206 HB2 ARG 28 HB2 ARG 28 -7.837 -9.175 8.887 207 HB3 ARG 28 HB3 ARG 28 -8.930 -8.263 9.911 208 HG2 ARG 28 HG2 ARG 28 -9.045 -7.410 7.686 209 HG3 ARG 28 HG3 ARG 28 -8.275 -6.206 8.718 210 HD2 ARG 28 HD2 ARG 28 -6.129 -6.696 7.845 211 HD3 ARG 28 HD3 ARG 28 -6.716 -8.153 7.039 212 HE ARG 28 HE ARG 28 -8.197 -6.311 5.836 213 HH11 ARG 28 HH11 ARG 28 -4.767 -6.217 6.592 214 HH12 ARG 28 HH12 ARG 28 -4.372 -5.260 5.193 215 HH21 ARG 28 HH21 ARG 28 -7.646 -5.068 4.021 216 HH22 ARG 28 HH22 ARG 28 -5.985 -4.606 3.758 217 H SER 29 H SER 29 -8.471 -6.889 12.007 218 HA SER 29 HA SER 29 -7.982 -4.162 11.366 219 HB2 SER 29 HB2 SER 29 -9.435 -5.411 13.703 220 HB3 SER 29 HB3 SER 29 -9.462 -3.692 13.303 221 HG SER 29 HG SER 29 -11.039 -5.564 12.363 222 H ARG 30 H ARG 30 -6.628 -6.374 13.676 223 HA ARG 30 HA ARG 30 -5.503 -4.358 15.379 224 HB2 ARG 30 HB2 ARG 30 -5.186 -7.331 15.141 225 HB3 ARG 30 HB3 ARG 30 -4.045 -6.409 16.108 226 HG2 ARG 30 HG2 ARG 30 -5.893 -7.400 17.418 227 HG3 ARG 30 HG3 ARG 30 -5.788 -5.646 17.560 228 HD2 ARG 30 HD2 ARG 30 -7.632 -5.347 16.068 229 HD3 ARG 30 HD3 ARG 30 -7.648 -7.063 15.660 230 HE ARG 30 HE ARG 30 -8.512 -7.530 17.833 231 HH11 ARG 30 HH11 ARG 30 -8.338 -4.105 17.073 232 HH12 ARG 30 HH12 ARG 30 -9.548 -3.661 18.239 233 HH21 ARG 30 HH21 ARG 30 -10.099 -6.954 19.350 234 HH22 ARG 30 HH22 ARG 30 -10.557 -5.282 19.539 235 H VAL 31 H VAL 31 -4.253 -6.470 12.821 236 HA VAL 31 HA VAL 31 -1.601 -5.463 12.880 237 HB VAL 31 HB VAL 31 -3.036 -6.744 10.541 238 HG11 VAL 31 HG11 VAL 31 -0.794 -7.416 9.824 239 HG12 VAL 31 HG12 VAL 31 -0.098 -6.524 11.177 240 HG13 VAL 31 HG13 VAL 31 -0.958 -5.662 9.901 241 HG21 VAL 31 HG21 VAL 31 -3.196 -8.165 12.498 242 HG22 VAL 31 HG22 VAL 31 -1.457 -8.025 12.769 243 HG23 VAL 31 HG23 VAL 31 -2.061 -8.852 11.334 244 H LEU 32 H LEU 32 -4.540 -4.244 11.612 245 HA LEU 32 HA LEU 32 -3.635 -2.627 9.514 246 HB2 LEU 32 HB2 LEU 32 -6.019 -3.189 10.128 247 HB3 LEU 32 HB3 LEU 32 -5.904 -1.996 11.403 248 HG LEU 32 HG LEU 32 -5.374 -1.203 8.558 249 HD11 LEU 32 HD11 LEU 32 -7.507 -2.401 8.549 250 HD12 LEU 32 HD12 LEU 32 -7.740 -0.672 8.298 251 HD13 LEU 32 HD13 LEU 32 -8.084 -1.390 9.872 252 HD21 LEU 32 HD21 LEU 32 -6.498 0.253 10.950 253 HD22 LEU 32 HD22 LEU 32 -6.227 0.953 9.355 254 HD23 LEU 32 HD23 LEU 32 -4.856 0.402 10.320 255 H ARG 33 H ARG 33 -3.694 -2.096 13.002 256 HA ARG 33 HA ARG 33 -2.967 0.638 12.934 257 HB2 ARG 33 HB2 ARG 33 -3.288 -1.424 14.948 258 HB3 ARG 33 HB3 ARG 33 -1.890 -0.411 15.285 259 HG2 ARG 33 HG2 ARG 33 -4.690 0.585 14.801 260 HG3 ARG 33 HG3 ARG 33 -3.910 0.417 16.378 261 HD2 ARG 33 HD2 ARG 33 -2.183 2.014 15.682 262 HD3 ARG 33 HD3 ARG 33 -2.985 2.194 14.120 263 HE ARG 33 HE ARG 33 -4.894 2.763 16.035 264 HH11 ARG 33 HH11 ARG 33 -1.808 4.069 15.027 265 HH12 ARG 33 HH12 ARG 33 -2.174 5.686 15.526 266 HH21 ARG 33 HH21 ARG 33 -5.385 4.885 16.719 267 HH22 ARG 33 HH22 ARG 33 -4.202 6.142 16.533 268 H TYR 34 H TYR 34 -1.092 -2.344 13.011 269 HA TYR 34 HA TYR 34 1.454 -1.101 13.188 270 HB2 TYR 34 HB2 TYR 34 1.071 -3.495 13.697 271 HB3 TYR 34 HB3 TYR 34 0.705 -3.785 12.001 272 HD1 TYR 34 HD1 TYR 34 3.396 -2.809 14.347 273 HD2 TYR 34 HD2 TYR 34 2.441 -4.157 10.425 274 HE1 TYR 34 HE1 TYR 34 5.775 -3.257 13.929 275 HE2 TYR 34 HE2 TYR 34 4.822 -4.603 9.992 276 HH TYR 34 HH TYR 34 7.171 -4.600 12.497 277 H LEU 35 H LEU 35 -0.646 -2.070 10.564 278 HA LEU 35 HA LEU 35 1.029 -1.738 8.369 279 HB2 LEU 35 HB2 LEU 35 -1.212 -2.764 8.323 280 HB3 LEU 35 HB3 LEU 35 -1.935 -1.190 8.584 281 HG LEU 35 HG LEU 35 -0.931 -0.462 6.397 282 HD11 LEU 35 HD11 LEU 35 -0.252 -2.217 4.832 283 HD12 LEU 35 HD12 LEU 35 -0.386 -3.416 6.119 284 HD13 LEU 35 HD13 LEU 35 0.824 -2.136 6.228 285 HD21 LEU 35 HD21 LEU 35 -2.633 -1.596 5.052 286 HD22 LEU 35 HD22 LEU 35 -3.279 -1.078 6.608 287 HD23 LEU 35 HD23 LEU 35 -2.872 -2.773 6.342 288 H GLU 36 H GLU 36 -1.220 0.653 9.790 289 HA GLU 36 HA GLU 36 -0.471 2.716 7.991 290 HB2 GLU 36 HB2 GLU 36 -1.729 4.207 9.539 291 HB3 GLU 36 HB3 GLU 36 -2.636 2.798 9.006 292 HG2 GLU 36 HG2 GLU 36 -2.260 1.705 11.120 293 HG3 GLU 36 HG3 GLU 36 -1.220 3.026 11.651 294 H LEU 37 H LEU 37 0.757 1.733 11.112 295 HA LEU 37 HA LEU 37 2.275 4.169 11.470 296 HB2 LEU 37 HB2 LEU 37 1.776 1.712 13.041 297 HB3 LEU 37 HB3 LEU 37 3.315 2.505 13.313 298 HG LEU 37 HG LEU 37 2.137 4.585 13.898 299 HD11 LEU 37 HD11 LEU 37 -0.265 4.588 14.252 300 HD12 LEU 37 HD12 LEU 37 -0.371 2.936 13.641 301 HD13 LEU 37 HD13 LEU 37 0.113 4.246 12.564 302 HD21 LEU 37 HD21 LEU 37 1.256 2.153 15.444 303 HD22 LEU 37 HD22 LEU 37 1.243 3.812 16.042 304 HD23 LEU 37 HD23 LEU 37 2.773 3.029 15.647 305 H TYR 38 H TYR 38 2.701 1.629 9.462 306 HA TYR 38 HA TYR 38 5.632 1.642 9.798 307 HB2 TYR 38 HB2 TYR 38 4.225 -0.486 10.401 308 HB3 TYR 38 HB3 TYR 38 4.169 -0.711 8.658 309 HD1 TYR 38 HD1 TYR 38 6.580 -0.191 11.449 310 HD2 TYR 38 HD2 TYR 38 5.884 -1.856 7.600 311 HE1 TYR 38 HE1 TYR 38 8.750 -1.336 11.560 312 HE2 TYR 38 HE2 TYR 38 8.059 -2.999 7.697 313 HH TYR 38 HH TYR 38 9.794 -3.360 10.554 314 H ILE 39 H ILE 39 3.097 0.800 7.439 315 HA ILE 39 HA ILE 39 5.006 1.271 5.284 316 HB ILE 39 HB ILE 39 2.241 0.061 5.175 317 HG12 ILE 39 HG12 ILE 39 4.959 -1.273 5.122 318 HG13 ILE 39 HG13 ILE 39 3.891 -1.233 6.520 319 HG21 ILE 39 HG21 ILE 39 4.438 0.078 3.109 320 HG22 ILE 39 HG22 ILE 39 2.973 1.054 3.048 321 HG23 ILE 39 HG23 ILE 39 2.864 -0.702 2.954 322 HD11 ILE 39 HD11 ILE 39 2.222 -2.502 5.282 323 HD12 ILE 39 HD12 ILE 39 3.761 -3.360 5.365 324 HD13 ILE 39 HD13 ILE 39 3.288 -2.537 3.879 325 H PHE 40 H PHE 40 2.004 2.584 6.568 326 HA PHE 40 HA PHE 40 2.144 4.676 4.485 327 HB2 PHE 40 HB2 PHE 40 -0.373 3.801 5.912 328 HB3 PHE 40 HB3 PHE 40 -0.252 4.900 4.547 329 HD1 PHE 40 HD1 PHE 40 0.562 3.917 2.313 330 HD2 PHE 40 HD2 PHE 40 -0.751 1.551 5.603 331 HE1 PHE 40 HE1 PHE 40 0.123 2.035 0.786 332 HE2 PHE 40 HE2 PHE 40 -1.182 -0.332 4.084 333 HZ PHE 40 HZ PHE 40 -0.758 -0.097 1.672 334 HA PRO 41 HA PRO 41 2.452 6.042 9.045 335 HB2 PRO 41 HB2 PRO 41 4.717 7.572 8.847 336 HB3 PRO 41 HB3 PRO 41 4.714 5.856 9.267 337 HG2 PRO 41 HG2 PRO 41 5.278 7.167 6.645 338 HG3 PRO 41 HG3 PRO 41 6.070 5.771 7.397 339 HD2 PRO 41 HD2 PRO 41 4.246 5.517 5.413 340 HD3 PRO 41 HD3 PRO 41 4.440 4.305 6.695 341 H HIS 42 H HIS 42 3.705 8.316 6.573 342 HA HIS 42 HA HIS 42 1.672 10.229 7.485 343 HB2 HIS 42 HB2 HIS 42 4.454 10.546 6.674 344 HB3 HIS 42 HB3 HIS 42 3.377 11.666 5.846 345 HD1 HIS 42 HD1 HIS 42 4.016 13.780 7.103 346 HD2 HIS 42 HD2 HIS 42 2.915 10.651 9.618 347 HE1 HIS 42 HE1 HIS 42 3.786 14.794 9.393 348 HE2 HIS 42 HE2 HIS 42 3.135 12.882 10.910 349 H ILE 43 H ILE 43 2.435 8.165 4.937 350 HA ILE 43 HA ILE 43 1.240 9.834 2.889 351 HB ILE 43 HB ILE 43 1.779 8.067 1.314 352 HG12 ILE 43 HG12 ILE 43 2.886 6.531 3.675 353 HG13 ILE 43 HG13 ILE 43 1.361 6.161 2.877 354 HG21 ILE 43 HG21 ILE 43 4.068 8.663 3.188 355 HG22 ILE 43 HG22 ILE 43 3.485 9.715 1.900 356 HG23 ILE 43 HG23 ILE 43 4.213 8.158 1.503 357 HD11 ILE 43 HD11 ILE 43 2.593 5.758 0.787 358 HD12 ILE 43 HD12 ILE 43 3.075 4.678 2.092 359 HD13 ILE 43 HD13 ILE 43 4.101 6.043 1.653 360 H GLY 44 H GLY 44 -0.007 8.032 5.286 361 HA2 GLY 44 HA2 GLY 44 -2.084 6.631 3.889 362 HA3 GLY 44 HA3 GLY 44 -2.030 6.963 5.617 363 H SER 45 H SER 45 -1.493 9.835 4.259 364 HA SER 45 HA SER 45 -4.253 10.699 4.497 365 HB2 SER 45 HB2 SER 45 -2.473 12.026 5.561 366 HB3 SER 45 HB3 SER 45 -1.709 12.275 3.992 367 HG SER 45 HG SER 45 -4.054 13.112 3.536 368 H SER 46 H SER 46 -2.428 9.398 2.110 369 HA SER 46 HA SER 46 -3.613 11.031 -0.019 370 HB2 SER 46 HB2 SER 46 -1.409 8.959 -0.182 371 HB3 SER 46 HB3 SER 46 -1.946 10.014 -1.489 372 HG SER 46 HG SER 46 -1.425 11.715 0.295 373 H ASP 47 H ASP 47 -5.294 10.261 -1.105 374 HA ASP 47 HA ASP 47 -6.133 7.508 -0.638 375 HB2 ASP 47 HB2 ASP 47 -8.287 8.167 -1.534 376 HB3 ASP 47 HB3 ASP 47 -7.784 9.328 -0.311 377 H ILE 48 H ILE 48 -7.175 6.400 -2.584 378 HA ILE 48 HA ILE 48 -5.125 5.857 -4.407 379 HB ILE 48 HB ILE 48 -8.055 5.152 -4.484 380 HG12 ILE 48 HG12 ILE 48 -6.792 4.185 -2.631 381 HG13 ILE 48 HG13 ILE 48 -7.235 2.934 -3.788 382 HG21 ILE 48 HG21 ILE 48 -7.216 5.108 -6.762 383 HG22 ILE 48 HG22 ILE 48 -7.487 3.466 -6.173 384 HG23 ILE 48 HG23 ILE 48 -5.848 4.114 -6.257 385 HD11 ILE 48 HD11 ILE 48 -4.539 4.248 -3.551 386 HD12 ILE 48 HD12 ILE 48 -4.976 2.994 -4.711 387 HD13 ILE 48 HD13 ILE 48 -4.968 2.633 -2.985 388 H ARG 49 H ARG 49 -7.923 8.001 -4.707 389 HA ARG 49 HA ARG 49 -7.607 8.332 -7.541 390 HB2 ARG 49 HB2 ARG 49 -9.249 9.840 -5.510 391 HB3 ARG 49 HB3 ARG 49 -9.246 10.225 -7.227 392 HG2 ARG 49 HG2 ARG 49 -9.984 7.886 -7.675 393 HG3 ARG 49 HG3 ARG 49 -10.153 7.664 -5.933 394 HD2 ARG 49 HD2 ARG 49 -11.569 9.780 -7.543 395 HD3 ARG 49 HD3 ARG 49 -12.277 8.233 -7.085 396 HE ARG 49 HE ARG 49 -11.290 9.657 -4.821 397 HH11 ARG 49 HH11 ARG 49 -13.967 9.565 -7.091 398 HH12 ARG 49 HH12 ARG 49 -15.111 10.190 -5.941 399 HH21 ARG 49 HH21 ARG 49 -12.791 10.467 -3.333 400 HH22 ARG 49 HH22 ARG 49 -14.449 10.682 -3.808 401 H GLN 50 H GLN 50 -6.594 10.083 -4.668 402 HA GLN 50 HA GLN 50 -4.914 11.747 -6.432 403 HB2 GLN 50 HB2 GLN 50 -6.807 12.827 -4.900 404 HB3 GLN 50 HB3 GLN 50 -5.570 12.662 -3.663 405 HG2 GLN 50 HG2 GLN 50 -5.319 14.192 -6.243 406 HG3 GLN 50 HG3 GLN 50 -5.528 14.873 -4.635 407 HE21 GLN 50 HE21 GLN 50 -3.331 13.450 -6.875 408 HE22 GLN 50 HE22 GLN 50 -1.889 13.727 -5.966 409 H LEU 51 H LEU 51 -3.398 10.021 -6.331 410 HA LEU 51 HA LEU 51 -2.154 9.564 -3.713 411 HB2 LEU 51 HB2 LEU 51 -2.949 7.607 -5.064 412 HB3 LEU 51 HB3 LEU 51 -1.758 8.021 -6.280 413 HG LEU 51 HG LEU 51 0.042 7.630 -4.624 414 HD11 LEU 51 HD11 LEU 51 -1.223 8.119 -2.595 415 HD12 LEU 51 HD12 LEU 51 -0.489 6.515 -2.516 416 HD13 LEU 51 HD13 LEU 51 -2.213 6.681 -2.858 417 HD21 LEU 51 HD21 LEU 51 -1.876 5.334 -5.002 418 HD22 LEU 51 HD22 LEU 51 -0.170 5.190 -4.578 419 HD23 LEU 51 HD23 LEU 51 -0.636 5.853 -6.144 420 H LYS 52 H LYS 52 0.280 9.352 -3.756 421 HA LYS 52 HA LYS 52 1.259 11.701 -5.204 422 HB2 LYS 52 HB2 LYS 52 2.348 10.364 -2.725 423 HB3 LYS 52 HB3 LYS 52 3.012 11.808 -3.476 424 HG2 LYS 52 HG2 LYS 52 0.265 11.545 -2.272 425 HG3 LYS 52 HG3 LYS 52 1.646 12.363 -1.544 426 HD2 LYS 52 HD2 LYS 52 1.683 13.955 -3.405 427 HD3 LYS 52 HD3 LYS 52 0.311 13.126 -4.140 428 HE2 LYS 52 HE2 LYS 52 -0.405 15.131 -2.947 429 HE3 LYS 52 HE3 LYS 52 -1.071 13.675 -2.207 430 HZ1 LYS 52 HZ1 LYS 52 0.572 13.797 -0.480 431 HZ2 LYS 52 HZ2 LYS 52 -0.215 15.297 -0.582 432 HZ3 LYS 52 HZ3 LYS 52 1.343 15.112 -1.228 433 H THR 53 H THR 53 3.724 11.647 -5.466 434 HA THR 53 HA THR 53 4.351 9.337 -7.123 435 HB THR 53 HB THR 53 6.304 11.000 -7.750 436 HG1 THR 53 HG1 THR 53 5.306 13.203 -7.577 437 HG21 THR 53 HG21 THR 53 4.868 11.958 -9.491 438 HG22 THR 53 HG22 THR 53 3.437 11.431 -8.605 439 HG23 THR 53 HG23 THR 53 4.546 10.237 -9.277 440 H SER 54 H SER 54 7.174 9.775 -7.182 441 HA SER 54 HA SER 54 7.938 7.851 -5.311 442 HB2 SER 54 HB2 SER 54 9.740 9.781 -6.776 443 HB3 SER 54 HB3 SER 54 10.189 8.206 -6.121 444 HG SER 54 HG SER 54 8.656 8.841 -8.380 445 H HIS 55 H HIS 55 7.283 11.011 -4.530 446 HA HIS 55 HA HIS 55 9.384 11.665 -2.758 447 HB2 HIS 55 HB2 HIS 55 6.465 12.444 -2.552 448 HB3 HIS 55 HB3 HIS 55 7.792 13.204 -1.685 449 HD1 HIS 55 HD1 HIS 55 9.333 14.812 -3.032 450 HD2 HIS 55 HD2 HIS 55 6.178 13.187 -5.199 451 HE1 HIS 55 HE1 HIS 55 9.178 16.184 -5.136 452 HE2 HIS 55 HE2 HIS 55 7.136 15.319 -6.327 453 H LEU 56 H LEU 56 6.574 9.633 -2.495 454 HA LEU 56 HA LEU 56 6.757 9.313 0.350 455 HB2 LEU 56 HB2 LEU 56 5.070 7.519 0.033 456 HB3 LEU 56 HB3 LEU 56 4.604 9.077 -0.609 457 HG LEU 56 HG LEU 56 5.388 8.144 -2.884 458 HD11 LEU 56 HD11 LEU 56 5.041 5.574 -1.352 459 HD12 LEU 56 HD12 LEU 56 6.519 6.153 -2.122 460 HD13 LEU 56 HD13 LEU 56 5.126 5.708 -3.109 461 HD21 LEU 56 HD21 LEU 56 2.919 7.117 -1.503 462 HD22 LEU 56 HD22 LEU 56 3.186 7.096 -3.247 463 HD23 LEU 56 HD23 LEU 56 3.083 8.634 -2.390 464 H LEU 57 H LEU 57 8.471 7.984 -2.244 465 HA LEU 57 HA LEU 57 8.926 5.368 -1.262 466 HB2 LEU 57 HB2 LEU 57 9.349 5.921 -3.578 467 HB3 LEU 57 HB3 LEU 57 10.561 7.100 -3.116 468 HG LEU 57 HG LEU 57 11.947 5.240 -2.198 469 HD11 LEU 57 HD11 LEU 57 9.887 3.489 -3.532 470 HD12 LEU 57 HD12 LEU 57 10.148 3.633 -1.795 471 HD13 LEU 57 HD13 LEU 57 11.408 2.950 -2.822 472 HD21 LEU 57 HD21 LEU 57 11.183 5.022 -5.104 473 HD22 LEU 57 HD22 LEU 57 12.663 4.397 -4.381 474 HD23 LEU 57 HD23 LEU 57 12.368 6.133 -4.421 475 H ALA 58 H ALA 58 10.408 8.458 -0.600 476 HA ALA 58 HA ALA 58 12.868 7.576 0.389 477 HB1 ALA 58 HB1 ALA 58 11.393 10.080 1.176 478 HB2 ALA 58 HB2 ALA 58 12.399 9.890 -0.260 479 HB3 ALA 58 HB3 ALA 58 13.121 9.772 1.343 480 HA PRO 59 HA PRO 59 11.118 7.756 4.890 481 HB2 PRO 59 HB2 PRO 59 8.416 7.570 5.194 482 HB3 PRO 59 HB3 PRO 59 9.308 9.090 5.148 483 HG2 PRO 59 HG2 PRO 59 7.775 7.733 2.972 484 HG3 PRO 59 HG3 PRO 59 7.817 9.452 3.407 485 HD2 PRO 59 HD2 PRO 59 9.227 8.461 1.334 486 HD3 PRO 59 HD3 PRO 59 9.825 9.806 2.326 487 H ILE 60 H ILE 60 9.300 5.904 2.508 488 HA ILE 60 HA ILE 60 8.974 3.614 4.190 489 HB ILE 60 HB ILE 60 8.553 4.108 1.252 490 HG12 ILE 60 HG12 ILE 60 6.223 3.479 1.806 491 HG13 ILE 60 HG13 ILE 60 6.701 3.225 3.477 492 HG21 ILE 60 HG21 ILE 60 7.775 1.810 0.964 493 HG22 ILE 60 HG22 ILE 60 8.286 1.430 2.608 494 HG23 ILE 60 HG23 ILE 60 9.485 1.862 1.389 495 HD11 ILE 60 HD11 ILE 60 6.756 5.847 2.002 496 HD12 ILE 60 HD12 ILE 60 7.242 5.595 3.680 497 HD13 ILE 60 HD13 ILE 60 5.564 5.340 3.200 498 H LYS 61 H LYS 61 11.470 4.879 2.198 499 HA LYS 61 HA LYS 61 12.848 2.449 1.646 500 HB2 LYS 61 HB2 LYS 61 13.217 4.615 0.429 501 HB3 LYS 61 HB3 LYS 61 14.054 5.216 1.854 502 HG2 LYS 61 HG2 LYS 61 15.598 4.414 0.127 503 HG3 LYS 61 HG3 LYS 61 15.740 3.491 1.629 504 HD2 LYS 61 HD2 LYS 61 14.401 1.707 0.701 505 HD3 LYS 61 HD3 LYS 61 14.115 2.646 -0.762 506 HE2 LYS 61 HE2 LYS 61 16.570 2.607 -1.186 507 HE3 LYS 61 HE3 LYS 61 16.747 1.540 0.205 508 HZ1 LYS 61 HZ1 LYS 61 15.285 -0.063 -0.920 509 HZ2 LYS 61 HZ2 LYS 61 16.694 0.259 -1.810 510 HZ3 LYS 61 HZ3 LYS 61 15.222 0.960 -2.276 511 H GLU 62 H GLU 62 12.675 4.567 4.340 512 HA GLU 62 HA GLU 62 14.952 3.917 5.786 513 HB2 GLU 62 HB2 GLU 62 13.302 5.680 6.385 514 HB3 GLU 62 HB3 GLU 62 12.184 4.424 6.896 515 HG2 GLU 62 HG2 GLU 62 13.340 5.453 8.781 516 HG3 GLU 62 HG3 GLU 62 13.709 3.735 8.642 517 H VAL 63 H VAL 63 11.958 2.136 5.364 518 HA VAL 63 HA VAL 63 12.404 0.147 7.325 519 HB VAL 63 HB VAL 63 10.850 -0.055 4.734 520 HG11 VAL 63 HG11 VAL 63 11.389 -2.247 5.688 521 HG12 VAL 63 HG12 VAL 63 9.663 -1.899 5.793 522 HG13 VAL 63 HG13 VAL 63 10.682 -1.748 7.225 523 HG21 VAL 63 HG21 VAL 63 8.883 0.420 6.135 524 HG22 VAL 63 HG22 VAL 63 10.029 1.759 6.118 525 HG23 VAL 63 HG23 VAL 63 9.947 0.687 7.515 526 H ASP 64 H ASP 64 13.125 0.320 3.871 527 HA ASP 64 HA ASP 64 14.315 -2.220 3.565 528 HB2 ASP 64 HB2 ASP 64 13.516 -0.647 1.748 529 HB3 ASP 64 HB3 ASP 64 14.956 0.316 2.028 530 H THR 65 H THR 65 15.631 0.944 4.448 531 HA THR 65 HA THR 65 18.341 0.335 4.542 532 HB THR 65 HB THR 65 16.731 2.183 6.318 533 HG1 THR 65 HG1 THR 65 17.062 3.646 4.764 534 HG21 THR 65 HG21 THR 65 19.722 2.044 5.913 535 HG22 THR 65 HG22 THR 65 18.856 1.665 7.401 536 HG23 THR 65 HG23 THR 65 18.870 3.317 6.786 537 H SER 66 H SER 66 15.811 -0.234 6.959 538 HA SER 66 HA SER 66 17.589 -1.393 8.879 539 HB2 SER 66 HB2 SER 66 14.603 -1.806 8.657 540 HB3 SER 66 HB3 SER 66 15.605 -1.964 10.100 541 HG SER 66 HG SER 66 15.991 0.468 9.137 542 H GLY 67 H GLY 67 15.443 -2.615 6.355 543 HA2 GLY 67 HA2 GLY 67 16.876 -4.598 5.341 544 HA3 GLY 67 HA3 GLY 67 16.237 -5.346 6.802 545 H LYS 68 H LYS 68 14.899 -6.745 5.829 546 HA LYS 68 HA LYS 68 12.994 -7.570 4.882 547 HB2 LYS 68 HB2 LYS 68 12.015 -4.845 5.752 548 HB3 LYS 68 HB3 LYS 68 10.966 -6.168 5.256 549 HG2 LYS 68 HG2 LYS 68 11.208 -7.266 7.198 550 HG3 LYS 68 HG3 LYS 68 12.908 -6.824 7.363 551 HD2 LYS 68 HD2 LYS 68 10.543 -5.037 7.920 552 HD3 LYS 68 HD3 LYS 68 11.576 -5.805 9.129 553 HE2 LYS 68 HE2 LYS 68 13.517 -4.585 8.108 554 HE3 LYS 68 HE3 LYS 68 12.360 -3.703 7.116 555 HZ1 LYS 68 HZ1 LYS 68 12.537 -3.676 10.078 556 HZ2 LYS 68 HZ2 LYS 68 11.284 -2.960 9.199 557 HZ3 LYS 68 HZ3 LYS 68 12.865 -2.389 9.026 558 H HIS 69 H HIS 69 14.781 -6.566 3.054 559 HA HIS 69 HA HIS 69 13.742 -4.738 1.211 560 HB2 HIS 69 HB2 HIS 69 15.435 -5.465 -0.313 561 HB3 HIS 69 HB3 HIS 69 16.117 -5.492 1.305 562 HD1 HIS 69 HD1 HIS 69 16.738 -7.236 -1.480 563 HD2 HIS 69 HD2 HIS 69 15.288 -8.518 2.205 564 HE1 HIS 69 HE1 HIS 69 17.280 -9.695 -1.347 565 HE2 HIS 69 HE2 HIS 69 16.328 -10.466 0.859 566 H ASP 70 H ASP 70 12.846 -8.003 1.796 567 HA ASP 70 HA ASP 70 11.576 -8.430 -0.750 568 HB2 ASP 70 HB2 ASP 70 12.171 -10.373 0.573 569 HB3 ASP 70 HB3 ASP 70 11.205 -9.795 1.927 570 H VAL 71 H VAL 71 10.605 -7.315 2.436 571 HA VAL 71 HA VAL 71 7.821 -7.178 1.934 572 HB VAL 71 HB VAL 71 9.428 -5.651 3.987 573 HG11 VAL 71 HG11 VAL 71 7.194 -4.746 3.715 574 HG12 VAL 71 HG12 VAL 71 7.316 -5.601 5.252 575 HG13 VAL 71 HG13 VAL 71 6.497 -6.357 3.885 576 HG21 VAL 71 HG21 VAL 71 8.886 -7.475 5.522 577 HG22 VAL 71 HG22 VAL 71 9.832 -8.053 4.151 578 HG23 VAL 71 HG23 VAL 71 8.095 -8.347 4.212 579 H ALA 72 H ALA 72 10.353 -4.667 2.029 580 HA ALA 72 HA ALA 72 8.741 -2.472 1.453 581 HB1 ALA 72 HB1 ALA 72 11.051 -2.269 2.208 582 HB2 ALA 72 HB2 ALA 72 10.796 -1.357 0.721 583 HB3 ALA 72 HB3 ALA 72 11.624 -2.913 0.671 584 H GLN 73 H GLN 73 10.615 -4.479 -0.786 585 HA GLN 73 HA GLN 73 9.806 -3.285 -3.192 586 HB2 GLN 73 HB2 GLN 73 11.615 -5.106 -2.621 587 HB3 GLN 73 HB3 GLN 73 10.314 -6.232 -2.952 588 HG2 GLN 73 HG2 GLN 73 11.496 -6.046 -4.950 589 HG3 GLN 73 HG3 GLN 73 10.046 -5.072 -5.175 590 HE21 GLN 73 HE21 GLN 73 11.023 -3.847 -6.810 591 HE22 GLN 73 HE22 GLN 73 12.223 -2.657 -6.458 592 H ARG 74 H ARG 74 8.522 -6.041 -1.403 593 HA ARG 74 HA ARG 74 6.486 -6.829 -3.110 594 HB2 ARG 74 HB2 ARG 74 7.260 -7.929 -0.943 595 HB3 ARG 74 HB3 ARG 74 6.202 -6.800 -0.106 596 HG2 ARG 74 HG2 ARG 74 5.057 -8.882 -0.378 597 HG3 ARG 74 HG3 ARG 74 4.300 -7.682 -1.431 598 HD2 ARG 74 HD2 ARG 74 5.617 -8.548 -3.320 599 HD3 ARG 74 HD3 ARG 74 6.311 -9.772 -2.259 600 HE ARG 74 HE ARG 74 3.437 -9.798 -2.341 601 HH11 ARG 74 HH11 ARG 74 6.391 -11.016 -3.748 602 HH12 ARG 74 HH12 ARG 74 5.606 -12.323 -4.587 603 HH21 ARG 74 HH21 ARG 74 2.400 -11.541 -3.368 604 HH22 ARG 74 HH22 ARG 74 3.336 -12.653 -4.338 605 H LEU 75 H LEU 75 6.388 -4.358 -0.557 606 HA LEU 75 HA LEU 75 3.623 -3.809 -0.881 607 HB2 LEU 75 HB2 LEU 75 5.867 -2.625 0.636 608 HB3 LEU 75 HB3 LEU 75 4.518 -1.559 0.292 609 HG LEU 75 HG LEU 75 4.287 -2.595 2.494 610 HD11 LEU 75 HD11 LEU 75 2.019 -3.500 2.222 611 HD12 LEU 75 HD12 LEU 75 2.281 -3.600 0.481 612 HD13 LEU 75 HD13 LEU 75 2.266 -2.030 1.280 613 HD21 LEU 75 HD21 LEU 75 5.500 -4.670 2.081 614 HD22 LEU 75 HD22 LEU 75 4.220 -5.213 0.997 615 HD23 LEU 75 HD23 LEU 75 3.886 -4.998 2.717 616 H GLN 76 H GLN 76 6.557 -2.244 -2.172 617 HA GLN 76 HA GLN 76 5.119 -0.154 -3.447 618 HB2 GLN 76 HB2 GLN 76 7.171 0.227 -4.743 619 HB3 GLN 76 HB3 GLN 76 7.481 0.117 -3.024 620 HG2 GLN 76 HG2 GLN 76 8.285 -2.169 -3.345 621 HG3 GLN 76 HG3 GLN 76 7.989 -2.018 -5.078 622 HE21 GLN 76 HE21 GLN 76 9.281 -0.606 -6.295 623 HE22 GLN 76 HE22 GLN 76 10.816 -0.066 -5.717 624 H GLN 77 H GLN 77 6.188 -3.332 -4.489 625 HA GLN 77 HA GLN 77 5.290 -3.243 -7.144 626 HB2 GLN 77 HB2 GLN 77 6.674 -5.074 -6.169 627 HB3 GLN 77 HB3 GLN 77 5.262 -5.634 -5.285 628 HG2 GLN 77 HG2 GLN 77 4.110 -6.015 -7.437 629 HG3 GLN 77 HG3 GLN 77 5.588 -5.550 -8.276 630 HE21 GLN 77 HE21 GLN 77 4.011 -7.991 -6.381 631 HE22 GLN 77 HE22 GLN 77 5.190 -9.231 -6.631 632 H ARG 78 H ARG 78 3.595 -4.027 -4.129 633 HA ARG 78 HA ARG 78 1.125 -4.782 -5.172 634 HB2 ARG 78 HB2 ARG 78 1.885 -3.405 -2.609 635 HB3 ARG 78 HB3 ARG 78 0.204 -3.729 -2.998 636 HG2 ARG 78 HG2 ARG 78 0.796 -6.146 -3.200 637 HG3 ARG 78 HG3 ARG 78 2.406 -5.739 -2.600 638 HD2 ARG 78 HD2 ARG 78 0.834 -6.547 -0.834 639 HD3 ARG 78 HD3 ARG 78 1.497 -4.941 -0.528 640 HE ARG 78 HE ARG 78 -1.006 -4.873 -1.910 641 HH11 ARG 78 HH11 ARG 78 0.415 -5.188 1.277 642 HH12 ARG 78 HH12 ARG 78 -0.943 -4.472 2.084 643 HH21 ARG 78 HH21 ARG 78 -2.781 -3.928 -0.840 644 HH22 ARG 78 HH22 ARG 78 -2.749 -3.721 0.888 645 H VAL 79 H VAL 79 2.370 -1.552 -4.426 646 HA VAL 79 HA VAL 79 0.037 -0.102 -4.916 647 HB VAL 79 HB VAL 79 2.871 0.810 -5.446 648 HG11 VAL 79 HG11 VAL 79 1.244 2.290 -6.456 649 HG12 VAL 79 HG12 VAL 79 1.969 3.064 -5.048 650 HG13 VAL 79 HG13 VAL 79 0.348 2.381 -4.941 651 HG21 VAL 79 HG21 VAL 79 2.615 -0.028 -3.171 652 HG22 VAL 79 HG22 VAL 79 1.211 1.015 -2.936 653 HG23 VAL 79 HG23 VAL 79 2.809 1.726 -3.178 654 H THR 80 H THR 80 2.728 -0.818 -7.151 655 HA THR 80 HA THR 80 1.589 0.436 -9.384 656 HB THR 80 HB THR 80 3.141 -1.098 -10.708 657 HG1 THR 80 HG1 THR 80 3.178 -2.482 -8.505 658 HG21 THR 80 HG21 THR 80 4.288 0.606 -8.492 659 HG22 THR 80 HG22 THR 80 3.751 1.175 -10.074 660 HG23 THR 80 HG23 THR 80 5.147 0.105 -9.950 661 H ALA 81 H ALA 81 1.177 -2.814 -8.101 662 HA ALA 81 HA ALA 81 -0.212 -3.838 -10.379 663 HB1 ALA 81 HB1 ALA 81 0.899 -5.322 -8.782 664 HB2 ALA 81 HB2 ALA 81 -0.817 -5.706 -8.925 665 HB3 ALA 81 HB3 ALA 81 -0.225 -4.815 -7.522 666 H ILE 82 H ILE 82 -1.199 -2.453 -7.275 667 HA ILE 82 HA ILE 82 -3.973 -2.776 -7.624 668 HB ILE 82 HB ILE 82 -2.375 -0.868 -5.920 669 HG12 ILE 82 HG12 ILE 82 -4.036 -3.320 -5.295 670 HG13 ILE 82 HG13 ILE 82 -2.278 -3.241 -5.320 671 HG21 ILE 82 HG21 ILE 82 -5.374 -1.219 -5.946 672 HG22 ILE 82 HG22 ILE 82 -4.489 0.230 -6.426 673 HG23 ILE 82 HG23 ILE 82 -4.458 -0.307 -4.746 674 HD11 ILE 82 HD11 ILE 82 -2.324 -1.681 -3.446 675 HD12 ILE 82 HD12 ILE 82 -3.124 -3.202 -3.053 676 HD13 ILE 82 HD13 ILE 82 -4.084 -1.770 -3.420 677 H MET 83 H MET 83 -1.748 -0.232 -8.621 678 HA MET 83 HA MET 83 -3.601 1.703 -9.415 679 HB2 MET 83 HB2 MET 83 -0.883 1.033 -10.540 680 HB3 MET 83 HB3 MET 83 -1.811 2.435 -11.042 681 HG2 MET 83 HG2 MET 83 -0.911 1.911 -8.218 682 HG3 MET 83 HG3 MET 83 -0.043 2.917 -9.374 683 HE1 MET 83 HE1 MET 83 -3.828 2.494 -8.148 684 HE2 MET 83 HE2 MET 83 -3.956 3.976 -7.200 685 HE3 MET 83 HE3 MET 83 -2.810 2.720 -6.726 686 H ARG 84 H ARG 84 -2.553 -1.233 -11.004 687 HA ARG 84 HA ARG 84 -3.651 -0.643 -13.565 688 HB2 ARG 84 HB2 ARG 84 -3.097 -3.342 -12.315 689 HB3 ARG 84 HB3 ARG 84 -3.336 -3.018 -14.029 690 HG2 ARG 84 HG2 ARG 84 -1.309 -1.703 -14.098 691 HG3 ARG 84 HG3 ARG 84 -1.090 -1.910 -12.358 692 HD2 ARG 84 HD2 ARG 84 -0.973 -4.370 -12.742 693 HD3 ARG 84 HD3 ARG 84 -1.008 -4.055 -14.476 694 HE ARG 84 HE ARG 84 1.062 -2.534 -13.513 695 HH11 ARG 84 HH11 ARG 84 0.239 -5.945 -13.562 696 HH12 ARG 84 HH12 ARG 84 1.888 -6.478 -13.471 697 HH21 ARG 84 HH21 ARG 84 3.239 -3.225 -13.399 698 HH22 ARG 84 HH22 ARG 84 3.603 -4.927 -13.399 699 H TYR 85 H TYR 85 -4.815 -2.484 -10.766 700 HA TYR 85 HA TYR 85 -7.315 -3.156 -11.928 701 HB2 TYR 85 HB2 TYR 85 -6.360 -3.145 -9.065 702 HB3 TYR 85 HB3 TYR 85 -7.969 -3.685 -9.538 703 HD1 TYR 85 HD1 TYR 85 -8.258 -5.730 -10.853 704 HD2 TYR 85 HD2 TYR 85 -4.411 -4.478 -9.545 705 HE1 TYR 85 HE1 TYR 85 -7.369 -7.965 -11.354 706 HE2 TYR 85 HE2 TYR 85 -3.507 -6.710 -10.046 707 HH TYR 85 HH TYR 85 -5.284 -9.046 -11.845 708 H ALA 86 H ALA 86 -6.145 -0.430 -10.104 709 HA ALA 86 HA ALA 86 -8.611 0.774 -9.496 710 HB1 ALA 86 HB1 ALA 86 -6.510 1.489 -8.481 711 HB2 ALA 86 HB2 ALA 86 -7.333 2.845 -9.250 712 HB3 ALA 86 HB3 ALA 86 -5.952 2.090 -10.041 713 H VAL 87 H VAL 87 -6.719 0.666 -12.445 714 HA VAL 87 HA VAL 87 -8.299 2.624 -13.824 715 HB VAL 87 HB VAL 87 -6.564 0.431 -14.987 716 HG11 VAL 87 HG11 VAL 87 -7.676 2.949 -16.224 717 HG12 VAL 87 HG12 VAL 87 -8.140 1.293 -16.614 718 HG13 VAL 87 HG13 VAL 87 -6.515 1.866 -16.991 719 HG21 VAL 87 HG21 VAL 87 -4.858 2.183 -15.236 720 HG22 VAL 87 HG22 VAL 87 -5.263 1.895 -13.542 721 HG23 VAL 87 HG23 VAL 87 -5.904 3.312 -14.375 722 H GLN 88 H GLN 88 -8.187 -0.908 -13.708 723 HA GLN 88 HA GLN 88 -10.183 -1.475 -15.572 724 HB2 GLN 88 HB2 GLN 88 -8.645 -3.164 -14.630 725 HB3 GLN 88 HB3 GLN 88 -9.471 -3.045 -13.085 726 HG2 GLN 88 HG2 GLN 88 -11.539 -3.832 -14.157 727 HG3 GLN 88 HG3 GLN 88 -10.662 -4.009 -15.674 728 HE21 GLN 88 HE21 GLN 88 -11.142 -5.265 -12.468 729 HE22 GLN 88 HE22 GLN 88 -10.346 -6.777 -12.728 730 H ASN 89 H ASN 89 -10.419 -0.857 -12.093 731 HA ASN 89 HA ASN 89 -13.298 -1.308 -12.173 732 HB2 ASN 89 HB2 ASN 89 -11.358 -1.749 -10.238 733 HB3 ASN 89 HB3 ASN 89 -12.229 -0.339 -9.637 734 HD21 ASN 89 HD21 ASN 89 -12.385 -3.703 -10.389 735 HD22 ASN 89 HD22 ASN 89 -13.933 -4.008 -9.681 736 H ASP 90 H ASP 90 -11.462 1.156 -13.057 737 HA ASP 90 HA ASP 90 -11.753 3.374 -13.393 738 HB2 ASP 90 HB2 ASP 90 -13.898 2.587 -14.332 739 HB3 ASP 90 HB3 ASP 90 -14.650 2.785 -12.753 740 H TYR 91 H TYR 91 -10.506 3.355 -11.262 741 HA TYR 91 HA TYR 91 -12.002 4.989 -9.321 742 HB2 TYR 91 HB2 TYR 91 -9.572 3.247 -8.993 743 HB3 TYR 91 HB3 TYR 91 -9.962 4.505 -7.826 744 HD1 TYR 91 HD2 TYR 91 -12.342 4.422 -6.798 745 HD2 TYR 91 HD1 TYR 91 -10.499 1.125 -8.754 746 HE1 TYR 91 HE2 TYR 91 -13.868 2.884 -5.635 747 HE2 TYR 91 HE1 TYR 91 -12.021 -0.419 -7.595 748 HH TYR 91 HH TYR 91 -13.396 -0.500 -5.603 749 H ILE 92 H ILE 92 -8.952 4.793 -11.132 750 HA ILE 92 HA ILE 92 -8.260 7.472 -10.155 751 HB ILE 92 HB ILE 92 -5.970 6.991 -10.942 752 HG12 ILE 92 HG12 ILE 92 -7.059 4.220 -11.489 753 HG13 ILE 92 HG13 ILE 92 -6.548 5.374 -12.715 754 HG21 ILE 92 HG21 ILE 92 -7.117 4.942 -9.057 755 HG22 ILE 92 HG22 ILE 92 -6.606 6.575 -8.634 756 HG23 ILE 92 HG23 ILE 92 -5.417 5.393 -9.181 757 HD11 ILE 92 HD11 ILE 92 -4.849 3.690 -12.343 758 HD12 ILE 92 HD12 ILE 92 -4.785 4.106 -10.631 759 HD13 ILE 92 HD13 ILE 92 -4.264 5.277 -11.843 760 H ASP 93 H ASP 93 -7.156 8.927 -11.606 761 HA ASP 93 HA ASP 93 -8.195 8.827 -14.352 762 HB2 ASP 93 HB2 ASP 93 -8.814 10.824 -13.069 763 HB3 ASP 93 HB3 ASP 93 -7.117 11.152 -12.735 764 H SER 94 H SER 94 -5.297 9.373 -12.434 765 HA SER 94 HA SER 94 -3.666 8.803 -14.813 766 HB2 SER 94 HB2 SER 94 -3.375 11.150 -14.139 767 HB3 SER 94 HB3 SER 94 -2.983 10.640 -12.497 768 HG SER 94 HG SER 94 -1.002 10.636 -13.225 769 H ASN 95 H ASN 95 -1.455 7.952 -14.129 770 HA ASN 95 HA ASN 95 -1.820 5.998 -11.961 771 HB2 ASN 95 HB2 ASN 95 -0.138 5.865 -14.468 772 HB3 ASN 95 HB3 ASN 95 -0.001 4.705 -13.149 773 HD21 ASN 95 HD21 ASN 95 -1.676 3.261 -12.776 774 HD22 ASN 95 HD22 ASN 95 -2.906 2.955 -13.947 775 HA PRO 96 HA PRO 96 1.339 8.837 -10.230 776 HB2 PRO 96 HB2 PRO 96 0.781 8.194 -7.642 777 HB3 PRO 96 HB3 PRO 96 -0.116 9.415 -8.553 778 HG2 PRO 96 HG2 PRO 96 -0.817 6.558 -8.010 779 HG3 PRO 96 HG3 PRO 96 -1.850 7.998 -7.936 780 HD2 PRO 96 HD2 PRO 96 -1.884 6.319 -10.042 781 HD3 PRO 96 HD3 PRO 96 -2.133 8.066 -10.227 782 H ALA 97 H ALA 97 2.781 8.167 -8.096 783 HA ALA 97 HA ALA 97 4.667 7.032 -7.529 784 HB1 ALA 97 HB1 ALA 97 3.044 5.372 -6.739 785 HB2 ALA 97 HB2 ALA 97 4.512 4.603 -7.342 786 HB3 ALA 97 HB3 ALA 97 3.050 4.608 -8.329 787 H SER 98 H SER 98 4.360 8.034 -10.208 788 HA SER 98 HA SER 98 5.294 6.215 -12.139 789 HB2 SER 98 HB2 SER 98 5.599 9.223 -12.157 790 HB3 SER 98 HB3 SER 98 5.539 8.145 -13.552 791 HG SER 98 HG SER 98 3.354 7.570 -12.603 792 H ASP 99 H ASP 99 7.235 5.454 -12.505 793 HA ASP 99 HA ASP 99 9.474 5.094 -12.518 794 HB2 ASP 99 HB2 ASP 99 9.283 7.539 -13.452 795 HB3 ASP 99 HB3 ASP 99 10.004 7.985 -11.909 796 H MET 100 H MET 100 7.951 5.117 -9.914 797 HA MET 100 HA MET 100 9.836 6.012 -7.952 798 HB2 MET 100 HB2 MET 100 8.358 5.045 -6.298 799 HB3 MET 100 HB3 MET 100 7.414 5.932 -7.482 800 HG2 MET 100 HG2 MET 100 6.156 4.038 -7.163 801 HG3 MET 100 HG3 MET 100 7.087 3.626 -8.599 802 HE1 MET 100 HE1 MET 100 8.440 3.781 -4.932 803 HE2 MET 100 HE2 MET 100 8.164 2.132 -4.372 804 HE3 MET 100 HE3 MET 100 6.795 3.191 -4.706 805 H ALA 101 H ALA 101 9.395 3.126 -9.765 806 HA ALA 101 HA ALA 101 11.035 1.537 -7.970 807 HB1 ALA 101 HB1 ALA 101 10.639 -0.301 -9.507 808 HB2 ALA 101 HB2 ALA 101 9.879 0.801 -10.656 809 HB3 ALA 101 HB3 ALA 101 9.115 0.489 -9.098 810 H GLY 102 H GLY 102 12.826 3.104 -8.226 811 HA2 GLY 102 HA2 GLY 102 14.419 2.436 -10.618 812 HA3 GLY 102 HA3 GLY 102 14.344 4.078 -9.995 813 H ALA 103 H ALA 103 16.613 4.018 -9.813 814 HA ALA 103 HA ALA 103 18.545 3.945 -8.655 815 HB1 ALA 103 HB1 ALA 103 16.857 2.931 -6.373 816 HB2 ALA 103 HB2 ALA 103 17.184 4.624 -6.751 817 HB3 ALA 103 HB3 ALA 103 18.501 3.562 -6.254 818 H LEU 104 H LEU 104 17.075 1.130 -7.062 819 HA LEU 104 HA LEU 104 19.474 -0.373 -7.670 820 HB2 LEU 104 HB2 LEU 104 18.698 -2.034 -6.149 821 HB3 LEU 104 HB3 LEU 104 18.418 -0.467 -5.421 822 HG LEU 104 HG LEU 104 16.238 -2.035 -6.809 823 HD11 LEU 104 HD11 LEU 104 15.516 -2.695 -4.550 824 HD12 LEU 104 HD12 LEU 104 16.996 -1.998 -3.891 825 HD13 LEU 104 HD13 LEU 104 17.083 -3.380 -4.982 826 HD21 LEU 104 HD21 LEU 104 14.750 -0.598 -5.533 827 HD22 LEU 104 HD22 LEU 104 15.840 0.373 -6.525 828 HD23 LEU 104 HD23 LEU 104 16.135 0.208 -4.795 829 H SER 105 H SER 105 16.306 -0.070 -8.940 830 HA SER 105 HA SER 105 16.522 -2.621 -10.359 831 HB2 SER 105 HB2 SER 105 14.145 -1.905 -11.113 832 HB3 SER 105 HB3 SER 105 14.382 -2.410 -9.438 833 HG SER 105 HG SER 105 13.523 -0.046 -10.380 834 H THR 106 H THR 106 17.693 0.334 -10.833 835 HA THR 106 HA THR 106 17.352 0.168 -13.752 836 HB THR 106 HB THR 106 17.562 2.662 -13.820 837 HG1 THR 106 HG1 THR 106 18.419 2.692 -11.559 838 HG21 THR 106 HG21 THR 106 15.250 3.129 -13.159 839 HG22 THR 106 HG22 THR 106 15.193 1.607 -12.266 840 HG23 THR 106 HG23 THR 106 15.369 1.595 -14.022 841 H THR 107 H THR 107 19.270 -0.501 -14.508 842 HA THR 107 HA THR 107 21.590 1.135 -14.077 843 HB THR 107 HB THR 107 21.690 -0.403 -12.116 844 HG1 THR 107 HG1 THR 107 23.683 0.219 -12.612 845 HG21 THR 107 HG21 THR 107 22.051 -2.559 -14.194 846 HG22 THR 107 HG22 THR 107 20.645 -2.376 -13.144 847 HG23 THR 107 HG23 THR 107 22.223 -2.758 -12.451 848 H LYS 108 H LYS 108 23.528 -0.106 -15.196 849 HA LYS 108 HA LYS 108 24.426 -0.551 -17.221 850 HB2 LYS 108 HB2 LYS 108 23.486 -2.797 -16.449 851 HB3 LYS 108 HB3 LYS 108 22.184 -2.522 -17.595 852 HG2 LYS 108 HG2 LYS 108 23.670 -3.850 -18.769 853 HG3 LYS 108 HG3 LYS 108 24.052 -2.221 -19.331 854 HD2 LYS 108 HD2 LYS 108 25.533 -3.585 -17.091 855 HD3 LYS 108 HD3 LYS 108 26.023 -3.690 -18.773 856 HE2 LYS 108 HE2 LYS 108 26.261 -1.254 -18.855 857 HE3 LYS 108 HE3 LYS 108 25.783 -1.159 -17.161 858 HZ1 LYS 108 HZ1 LYS 108 28.182 -1.069 -17.399 859 HZ2 LYS 108 HZ2 LYS 108 28.185 -2.567 -18.202 860 HZ3 LYS 108 HZ3 LYS 108 27.721 -2.479 -16.575 861 H ALA 109 H ALA 109 24.010 1.430 -18.205 862 HA ALA 109 HA ALA 109 21.519 1.752 -19.679 863 HB1 ALA 109 HB1 ALA 109 22.365 3.636 -18.365 864 HB2 ALA 109 HB2 ALA 109 22.274 4.033 -20.083 865 HB3 ALA 109 HB3 ALA 109 23.831 3.662 -19.346 866 H ARG 110 H ARG 110 25.010 1.981 -20.371 867 HA ARG 110 HA ARG 110 26.242 1.664 -22.234 868 HB2 ARG 110 HB2 ARG 110 25.434 -0.594 -22.134 869 HB3 ARG 110 HB3 ARG 110 23.935 -0.145 -22.926 870 HG2 ARG 110 HG2 ARG 110 24.966 0.098 -25.006 871 HG3 ARG 110 HG3 ARG 110 26.581 0.185 -24.291 872 HD2 ARG 110 HD2 ARG 110 26.637 -2.082 -23.830 873 HD3 ARG 110 HD3 ARG 110 24.889 -2.238 -23.917 874 HE ARG 110 HE ARG 110 25.139 -1.929 -26.369 875 HH11 ARG 110 HH11 ARG 110 27.939 -2.965 -24.520 876 HH12 ARG 110 HH12 ARG 110 28.587 -3.929 -25.815 877 HH21 ARG 110 HH21 ARG 110 25.981 -3.189 -28.062 878 HH22 ARG 110 HH22 ARG 110 27.488 -4.039 -27.844 879 H HIS 111 H HIS 111 26.638 3.079 -23.758 880 HA HIS 111 HA HIS 111 24.327 4.456 -24.958 881 HB2 HIS 111 HB2 HIS 111 25.808 6.413 -25.250 882 HB3 HIS 111 HB3 HIS 111 25.639 5.945 -23.567 883 HD1 HIS 111 HD1 HIS 111 27.754 5.409 -22.291 884 HD2 HIS 111 HD2 HIS 111 28.383 5.835 -26.382 885 HE1 HIS 111 HE1 HIS 111 30.248 5.426 -22.601 886 HE2 HIS 111 HE2 HIS 111 30.599 5.487 -25.095 887 H TYR 112 H TYR 112 27.342 2.857 -25.647 888 HA TYR 112 HA TYR 112 26.549 2.694 -28.442 889 HB2 TYR 112 HB2 TYR 112 29.014 4.061 -27.464 890 HB3 TYR 112 HB3 TYR 112 29.146 3.073 -28.915 891 HD1 TYR 112 HD2 TYR 112 27.869 3.661 -30.938 892 HD2 TYR 112 HD1 TYR 112 27.852 6.165 -27.499 893 HE1 TYR 112 HE2 TYR 112 26.975 5.506 -32.295 894 HE2 TYR 112 HE1 TYR 112 26.958 8.015 -28.845 895 HH TYR 112 HH TYR 112 25.685 7.587 -31.957 896 HA PRO 113 HA PRO 113 27.980 -1.412 -27.837 897 HB2 PRO 113 HB2 PRO 113 28.284 -1.795 -30.683 898 HB3 PRO 113 HB3 PRO 113 26.978 -2.353 -29.636 899 HG2 PRO 113 HG2 PRO 113 26.676 -0.442 -31.571 900 HG3 PRO 113 HG3 PRO 113 25.654 -0.563 -30.130 901 HD2 PRO 113 HD2 PRO 113 27.967 1.256 -30.666 902 HD3 PRO 113 HD3 PRO 113 26.429 1.595 -29.853 903 H LEU 114 H LEU 114 29.618 -2.954 -28.895 904 HA LEU 114 HA LEU 114 32.173 -1.549 -29.361 905 HB2 LEU 114 HB2 LEU 114 32.187 -2.744 -27.234 906 HB3 LEU 114 HB3 LEU 114 31.649 -4.212 -28.026 907 HG LEU 114 HG LEU 114 33.781 -4.312 -29.263 908 HD11 LEU 114 HD11 LEU 114 34.290 -1.928 -29.307 909 HD12 LEU 114 HD12 LEU 114 35.624 -2.852 -28.613 910 HD13 LEU 114 HD13 LEU 114 34.539 -1.945 -27.561 911 HD21 LEU 114 HD21 LEU 114 33.526 -5.512 -27.152 912 HD22 LEU 114 HD22 LEU 114 34.092 -4.093 -26.272 913 HD23 LEU 114 HD23 LEU 114 35.180 -4.944 -27.369 914 H GLU 115 H GLU 115 29.914 -3.958 -30.265 915 HA GLU 115 HA GLU 115 31.540 -4.915 -32.483 916 HB2 GLU 115 HB2 GLU 115 29.663 -6.527 -32.804 917 HB3 GLU 115 HB3 GLU 115 30.402 -6.630 -31.214 918 HG2 GLU 115 HG2 GLU 115 27.917 -5.019 -31.688 919 HG3 GLU 115 HG3 GLU 115 27.852 -6.750 -31.379 920 H HIS 116 H HIS 116 31.326 -4.072 -34.466 921 HA HIS 116 HA HIS 116 28.945 -2.431 -34.994 922 HB2 HIS 116 HB2 HIS 116 31.766 -2.286 -35.943 923 HB3 HIS 116 HB3 HIS 116 30.499 -1.735 -37.034 924 HD1 HIS 116 HD1 HIS 116 32.436 -0.737 -34.062 925 HD2 HIS 116 HD2 HIS 116 28.960 0.460 -36.014 926 HE1 HIS 116 HE1 HIS 116 31.907 1.558 -33.173 927 HE2 HIS 116 HE2 HIS 116 29.895 2.324 -34.491 928 H HIS 117 H HIS 117 27.590 -4.120 -35.497 929 HA HIS 117 HA HIS 117 28.195 -5.548 -37.994 930 HB2 HIS 117 HB2 HIS 117 27.627 -7.000 -36.096 931 HB3 HIS 117 HB3 HIS 117 26.123 -6.122 -35.855 932 HD1 HIS 117 HD1 HIS 117 27.787 -8.451 -38.328 933 HD2 HIS 117 HD2 HIS 117 24.001 -7.011 -37.361 934 HE1 HIS 117 HE1 HIS 117 26.169 -9.779 -39.731 935 HE2 HIS 117 HE2 HIS 117 23.883 -8.990 -39.027 936 H HIS 118 H HIS 118 26.826 -5.327 -39.752 937 HA HIS 118 HA HIS 118 24.578 -3.464 -39.414 938 HB2 HIS 118 HB2 HIS 118 25.081 -2.420 -41.559 939 HB3 HIS 118 HB3 HIS 118 26.453 -2.272 -40.472 940 HD1 HIS 118 HD1 HIS 118 25.578 -3.241 -43.832 941 HD2 HIS 118 HD2 HIS 118 28.564 -4.244 -41.118 942 HE1 HIS 118 HE1 HIS 118 27.404 -4.305 -45.194 943 HE2 HIS 118 HE2 HIS 118 29.289 -4.675 -43.559 944 H HIS 119 H HIS 119 22.764 -3.819 -40.687 945 HA HIS 119 HA HIS 119 22.431 -6.553 -41.564 946 HB2 HIS 119 HB2 HIS 119 20.495 -4.226 -41.599 947 HB3 HIS 119 HB3 HIS 119 20.081 -5.893 -41.966 948 HD1 HIS 119 HD1 HIS 119 19.493 -3.691 -39.414 949 HD2 HIS 119 HD2 HIS 119 21.187 -7.488 -39.448 950 HE1 HIS 119 HE1 HIS 119 19.232 -4.567 -37.073 951 HE2 HIS 119 HE2 HIS 119 20.313 -6.843 -37.096 952 H HIS 120 H HIS 120 21.744 -7.167 -43.660 953 HA HIS 120 HA HIS 120 22.992 -5.587 -45.739 954 HB2 HIS 120 HB2 HIS 120 23.327 -8.017 -45.696 955 HB3 HIS 120 HB3 HIS 120 21.594 -8.268 -45.877 956 HD1 HIS 120 HD1 HIS 120 20.859 -8.693 -48.197 957 HD2 HIS 120 HD2 HIS 120 24.404 -6.513 -48.077 958 HE1 HIS 120 HE1 HIS 120 21.553 -8.390 -50.593 959 HE2 HIS 120 HE2 HIS 120 23.795 -7.254 -50.487 960 H HIS 121 H HIS 121 21.901 -3.954 -46.571 961 HA HIS 121 HA HIS 121 19.195 -4.492 -47.544 962 HB2 HIS 121 HB2 HIS 121 18.461 -2.214 -46.931 963 HB3 HIS 121 HB3 HIS 121 18.867 -3.177 -45.520 964 HD1 HIS 121 HD1 HIS 121 19.758 -0.076 -47.331 965 HD2 HIS 121 HD2 HIS 121 21.246 -2.316 -44.155 966 HE1 HIS 121 HE1 HIS 121 21.369 1.435 -46.131 967 HE2 HIS 121 HE2 HIS 121 22.136 0.122 -44.125 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -17.950 5.509 -16.014 2 H2 MET 1 H2 MET 1 -16.570 5.690 -16.983 3 H3 MET 1 H3 MET 1 -17.856 6.777 -17.135 4 HA MET 1 HA MET 1 -16.193 6.445 -14.712 5 HB2 MET 1 HB2 MET 1 -14.928 7.442 -16.579 6 HB3 MET 1 HB3 MET 1 -16.190 8.650 -16.789 7 HG2 MET 1 HG2 MET 1 -15.721 9.305 -14.368 8 HG3 MET 1 HG3 MET 1 -14.251 8.344 -14.525 9 HE1 MET 1 HE1 MET 1 -15.209 12.096 -17.036 10 HE2 MET 1 HE2 MET 1 -16.249 11.457 -15.761 11 HE3 MET 1 HE3 MET 1 -16.047 10.562 -17.266 12 H GLU 2 H GLU 2 -17.854 6.534 -13.240 13 HA GLU 2 HA GLU 2 -19.615 8.879 -13.301 14 HB2 GLU 2 HB2 GLU 2 -19.543 6.431 -11.533 15 HB3 GLU 2 HB3 GLU 2 -20.580 7.808 -11.205 16 HG2 GLU 2 HG2 GLU 2 -21.892 6.162 -12.286 17 HG3 GLU 2 HG3 GLU 2 -21.624 7.464 -13.441 18 H ASN 3 H ASN 3 -19.878 10.010 -11.117 19 HA ASN 3 HA ASN 3 -17.237 10.407 -9.897 20 HB2 ASN 3 HB2 ASN 3 -18.654 12.400 -10.573 21 HB3 ASN 3 HB3 ASN 3 -19.752 11.950 -9.265 22 HD21 ASN 3 HD21 ASN 3 -19.398 13.610 -7.891 23 HD22 ASN 3 HD22 ASN 3 -17.871 13.923 -7.146 24 H SER 4 H SER 4 -16.935 8.694 -8.570 25 HA SER 4 HA SER 4 -19.069 8.050 -6.662 26 HB2 SER 4 HB2 SER 4 -16.553 6.519 -7.373 27 HB3 SER 4 HB3 SER 4 -17.812 5.971 -6.264 28 HG SER 4 HG SER 4 -19.147 6.540 -8.364 29 H GLY 5 H GLY 5 -18.798 8.222 -4.494 30 HA2 GLY 5 HA2 GLY 5 -16.306 9.538 -3.603 31 HA3 GLY 5 HA3 GLY 5 -17.882 9.779 -2.859 32 H ALA 6 H ALA 6 -15.870 9.139 -1.224 33 HA ALA 6 HA ALA 6 -15.211 7.709 0.407 34 HB1 ALA 6 HB1 ALA 6 -17.639 6.097 -0.384 35 HB2 ALA 6 HB2 ALA 6 -17.607 7.397 0.807 36 HB3 ALA 6 HB3 ALA 6 -16.707 5.910 1.101 37 H TYR 7 H TYR 7 -13.377 7.340 -0.949 38 HA TYR 7 HA TYR 7 -13.321 5.098 -2.725 39 HB2 TYR 7 HB2 TYR 7 -10.901 5.642 -2.949 40 HB3 TYR 7 HB3 TYR 7 -11.949 7.018 -3.254 41 HD1 TYR 7 HD1 TYR 7 -12.268 8.697 -1.312 42 HD2 TYR 7 HD2 TYR 7 -9.140 5.812 -1.416 43 HE1 TYR 7 HE1 TYR 7 -10.991 10.023 0.317 44 HE2 TYR 7 HE2 TYR 7 -7.859 7.131 0.217 45 HH TYR 7 HH TYR 7 -7.717 9.478 0.979 46 H THR 8 H THR 8 -11.768 5.828 0.380 47 HA THR 8 HA THR 8 -10.779 4.548 1.959 48 HB THR 8 HB THR 8 -12.546 2.264 1.127 49 HG1 THR 8 HG1 THR 8 -14.214 3.515 1.446 50 HG21 THR 8 HG21 THR 8 -11.629 3.305 3.814 51 HG22 THR 8 HG22 THR 8 -10.973 1.900 2.973 52 HG23 THR 8 HG23 THR 8 -12.640 1.886 3.549 53 H PHE 9 H PHE 9 -8.723 4.330 1.193 54 HA PHE 9 HA PHE 9 -7.784 2.731 -0.860 55 HB2 PHE 9 HB2 PHE 9 -6.465 4.448 0.356 56 HB3 PHE 9 HB3 PHE 9 -6.371 3.367 1.740 57 HD1 PHE 9 HD2 PHE 9 -5.291 3.895 -1.734 58 HD2 PHE 9 HD1 PHE 9 -4.816 1.567 1.795 59 HE1 PHE 9 HE2 PHE 9 -3.243 2.902 -2.668 60 HE2 PHE 9 HE1 PHE 9 -2.764 0.576 0.868 61 HZ PHE 9 HZ PHE 9 -1.975 1.239 -1.368 62 H GLU 10 H GLU 10 -8.404 1.921 2.512 63 HA GLU 10 HA GLU 10 -7.244 -0.618 2.594 64 HB2 GLU 10 HB2 GLU 10 -9.732 0.207 4.094 65 HB3 GLU 10 HB3 GLU 10 -8.558 -1.010 4.565 66 HG2 GLU 10 HG2 GLU 10 -7.916 0.697 5.920 67 HG3 GLU 10 HG3 GLU 10 -6.903 1.032 4.518 68 H THR 11 H THR 11 -10.508 0.364 1.633 69 HA THR 11 HA THR 11 -11.598 -2.217 1.398 70 HB THR 11 HB THR 11 -12.381 0.316 -0.063 71 HG1 THR 11 HG1 THR 11 -13.846 -0.652 2.106 72 HG21 THR 11 HG21 THR 11 -13.944 -2.224 0.436 73 HG22 THR 11 HG22 THR 11 -13.353 -1.655 -1.126 74 HG23 THR 11 HG23 THR 11 -14.594 -0.743 -0.269 75 H ILE 12 H ILE 12 -9.909 -0.146 -0.916 76 HA ILE 12 HA ILE 12 -10.345 -1.861 -3.151 77 HB ILE 12 HB ILE 12 -8.242 0.286 -2.782 78 HG12 ILE 12 HG12 ILE 12 -10.993 0.410 -4.049 79 HG13 ILE 12 HG13 ILE 12 -10.553 1.111 -2.497 80 HG21 ILE 12 HG21 ILE 12 -8.183 0.344 -5.237 81 HG22 ILE 12 HG22 ILE 12 -9.295 -1.025 -5.289 82 HG23 ILE 12 HG23 ILE 12 -7.683 -1.224 -4.603 83 HD11 ILE 12 HD11 ILE 12 -9.021 2.637 -3.610 84 HD12 ILE 12 HD12 ILE 12 -10.656 2.790 -4.253 85 HD13 ILE 12 HD13 ILE 12 -9.426 1.917 -5.168 86 H ALA 13 H ALA 13 -7.859 -1.599 -0.692 87 HA ALA 13 HA ALA 13 -5.991 -3.355 -1.933 88 HB1 ALA 13 HB1 ALA 13 -5.340 -1.760 -0.193 89 HB2 ALA 13 HB2 ALA 13 -4.896 -3.409 0.245 90 HB3 ALA 13 HB3 ALA 13 -6.305 -2.650 0.986 91 H ARG 14 H ARG 14 -8.780 -3.802 0.120 92 HA ARG 14 HA ARG 14 -8.246 -6.510 0.811 93 HB2 ARG 14 HB2 ARG 14 -9.893 -4.812 1.897 94 HB3 ARG 14 HB3 ARG 14 -11.014 -5.366 0.663 95 HG2 ARG 14 HG2 ARG 14 -10.569 -7.712 1.491 96 HG3 ARG 14 HG3 ARG 14 -9.754 -6.964 2.866 97 HD2 ARG 14 HD2 ARG 14 -11.920 -5.594 3.109 98 HD3 ARG 14 HD3 ARG 14 -12.638 -6.827 2.079 99 HE ARG 14 HE ARG 14 -11.641 -7.192 4.808 100 HH11 ARG 14 HH11 ARG 14 -13.031 -8.633 1.941 101 HH12 ARG 14 HH12 ARG 14 -13.716 -9.977 2.789 102 HH21 ARG 14 HH21 ARG 14 -12.548 -8.954 5.939 103 HH22 ARG 14 HH22 ARG 14 -13.427 -10.176 5.065 104 H GLU 15 H GLU 15 -9.603 -4.929 -1.926 105 HA GLU 15 HA GLU 15 -11.264 -6.859 -3.002 106 HB2 GLU 15 HB2 GLU 15 -10.962 -4.514 -3.811 107 HB3 GLU 15 HB3 GLU 15 -9.457 -5.016 -4.571 108 HG2 GLU 15 HG2 GLU 15 -11.309 -4.909 -6.159 109 HG3 GLU 15 HG3 GLU 15 -10.657 -6.541 -6.011 110 H TRP 16 H TRP 16 -7.761 -6.436 -3.718 111 HA TRP 16 HA TRP 16 -7.740 -8.903 -5.206 112 HB2 TRP 16 HB2 TRP 16 -5.240 -8.530 -5.278 113 HB3 TRP 16 HB3 TRP 16 -6.222 -7.273 -6.014 114 HD1 TRP 16 HD1 TRP 16 -5.988 -4.856 -5.067 115 HE1 TRP 16 HE1 TRP 16 -4.502 -3.787 -3.259 116 HE3 TRP 16 HE3 TRP 16 -4.114 -9.111 -2.929 117 HZ2 TRP 16 HZ2 TRP 16 -2.768 -4.639 -1.196 118 HZ3 TRP 16 HZ3 TRP 16 -2.553 -8.893 -1.042 119 HH2 TRP 16 HH2 TRP 16 -1.905 -6.704 -0.200 120 H HIS 17 H HIS 17 -7.095 -7.920 -1.956 121 HA HIS 17 HA HIS 17 -5.679 -10.002 -0.870 122 HB2 HIS 17 HB2 HIS 17 -6.188 -8.280 0.592 123 HB3 HIS 17 HB3 HIS 17 -7.873 -8.220 0.105 124 HD1 HIS 17 HD1 HIS 17 -9.500 -9.953 1.228 125 HD2 HIS 17 HD2 HIS 17 -5.645 -9.853 2.808 126 HE1 HIS 17 HE1 HIS 17 -9.642 -11.111 3.449 127 HE2 HIS 17 HE2 HIS 17 -7.400 -10.700 4.515 128 H GLU 18 H GLU 18 -8.924 -10.093 -2.127 129 HA GLU 18 HA GLU 18 -9.909 -12.268 -0.627 130 HB2 GLU 18 HB2 GLU 18 -10.772 -11.334 -3.363 131 HB3 GLU 18 HB3 GLU 18 -11.698 -12.369 -2.287 132 HG2 GLU 18 HG2 GLU 18 -10.955 -9.490 -1.837 133 HG3 GLU 18 HG3 GLU 18 -12.559 -10.138 -2.178 134 H SER 19 H SER 19 -7.850 -12.201 -3.440 135 HA SER 19 HA SER 19 -8.571 -14.934 -4.159 136 HB2 SER 19 HB2 SER 19 -6.899 -14.463 -6.062 137 HB3 SER 19 HB3 SER 19 -8.420 -13.571 -6.061 138 HG SER 19 HG SER 19 -5.823 -12.679 -5.375 139 H ASN 20 H ASN 20 -6.950 -14.224 -1.692 140 HA ASN 20 HA ASN 20 -4.319 -15.270 -2.298 141 HB2 ASN 20 HB2 ASN 20 -3.685 -14.681 -0.129 142 HB3 ASN 20 HB3 ASN 20 -4.884 -13.460 -0.531 143 HD21 ASN 20 HD21 ASN 20 -6.921 -13.539 0.479 144 HD22 ASN 20 HD22 ASN 20 -7.181 -14.472 1.913 145 H LYS 21 H LYS 21 -3.511 -16.938 -0.535 146 HA LYS 21 HA LYS 21 -4.551 -19.401 -1.262 147 HB2 LYS 21 HB2 LYS 21 -3.113 -20.296 0.585 148 HB3 LYS 21 HB3 LYS 21 -2.291 -19.236 -0.551 149 HG2 LYS 21 HG2 LYS 21 -2.654 -17.372 1.109 150 HG3 LYS 21 HG3 LYS 21 -3.178 -18.608 2.252 151 HD2 LYS 21 HD2 LYS 21 -0.850 -18.104 2.624 152 HD3 LYS 21 HD3 LYS 21 -0.993 -19.736 1.968 153 HE2 LYS 21 HE2 LYS 21 -0.409 -18.921 -0.241 154 HE3 LYS 21 HE3 LYS 21 -0.330 -17.268 0.369 155 HZ1 LYS 21 HZ1 LYS 21 1.501 -17.932 1.809 156 HZ2 LYS 21 HZ2 LYS 21 1.864 -18.233 0.181 157 HZ3 LYS 21 HZ3 LYS 21 1.430 -19.515 1.202 158 H ARG 22 H ARG 22 -4.896 -17.832 1.944 159 HA ARG 22 HA ARG 22 -7.505 -18.983 2.252 160 HB2 ARG 22 HB2 ARG 22 -6.772 -19.996 4.549 161 HB3 ARG 22 HB3 ARG 22 -6.577 -20.922 3.071 162 HG2 ARG 22 HG2 ARG 22 -4.576 -21.272 4.162 163 HG3 ARG 22 HG3 ARG 22 -4.180 -19.963 3.052 164 HD2 ARG 22 HD2 ARG 22 -4.576 -18.358 4.913 165 HD3 ARG 22 HD3 ARG 22 -4.793 -19.734 5.993 166 HE ARG 22 HE ARG 22 -2.322 -19.940 4.618 167 HH11 ARG 22 HH11 ARG 22 -3.899 -18.314 7.291 168 HH12 ARG 22 HH12 ARG 22 -2.403 -17.878 8.066 169 HH21 ARG 22 HH21 ARG 22 -0.364 -19.366 5.641 170 HH22 ARG 22 HH22 ARG 22 -0.402 -18.467 7.125 171 H TRP 23 H TRP 23 -8.763 -17.751 3.455 172 HA TRP 23 HA TRP 23 -7.762 -15.162 4.088 173 HB2 TRP 23 HB2 TRP 23 -10.511 -16.257 4.692 174 HB3 TRP 23 HB3 TRP 23 -10.049 -14.569 4.486 175 HD1 TRP 23 HD1 TRP 23 -9.527 -13.748 1.953 176 HE1 TRP 23 HE1 TRP 23 -10.306 -14.679 -0.321 177 HE3 TRP 23 HE3 TRP 23 -11.130 -18.362 3.465 178 HZ2 TRP 23 HZ2 TRP 23 -11.445 -17.041 -1.328 179 HZ3 TRP 23 HZ3 TRP 23 -12.054 -19.898 1.777 180 HH2 TRP 23 HH2 TRP 23 -12.208 -19.248 -0.570 181 H SER 24 H SER 24 -6.418 -15.161 5.791 182 HA SER 24 HA SER 24 -7.354 -16.217 8.362 183 HB2 SER 24 HB2 SER 24 -4.901 -15.563 8.970 184 HB3 SER 24 HB3 SER 24 -5.182 -16.983 7.961 185 HG SER 24 HG SER 24 -4.484 -15.916 6.213 186 H GLU 25 H GLU 25 -8.677 -13.992 7.399 187 HA GLU 25 HA GLU 25 -7.534 -11.496 7.887 188 HB2 GLU 25 HB2 GLU 25 -9.680 -12.120 6.596 189 HB3 GLU 25 HB3 GLU 25 -10.483 -12.021 8.159 190 HG2 GLU 25 HG2 GLU 25 -10.792 -9.931 7.129 191 HG3 GLU 25 HG3 GLU 25 -9.552 -9.691 8.358 192 H ASP 26 H ASP 26 -9.152 -13.721 10.044 193 HA ASP 26 HA ASP 26 -9.778 -12.077 12.190 194 HB2 ASP 26 HB2 ASP 26 -8.677 -14.896 12.315 195 HB3 ASP 26 HB3 ASP 26 -9.581 -14.083 13.589 196 H HIS 27 H HIS 27 -6.755 -13.828 11.577 197 HA HIS 27 HA HIS 27 -5.416 -12.599 13.794 198 HB2 HIS 27 HB2 HIS 27 -4.523 -14.400 11.558 199 HB3 HIS 27 HB3 HIS 27 -3.351 -13.643 12.632 200 HD1 HIS 27 HD1 HIS 27 -2.718 -15.063 14.546 201 HD2 HIS 27 HD2 HIS 27 -6.591 -15.862 13.244 202 HE1 HIS 27 HE1 HIS 27 -3.561 -16.921 16.015 203 HE2 HIS 27 HE2 HIS 27 -5.897 -17.409 15.202 204 H ARG 28 H ARG 28 -5.816 -11.922 10.419 205 HA ARG 28 HA ARG 28 -3.652 -10.139 10.102 206 HB2 ARG 28 HB2 ARG 28 -6.059 -10.858 8.581 207 HB3 ARG 28 HB3 ARG 28 -5.500 -9.213 8.321 208 HG2 ARG 28 HG2 ARG 28 -4.549 -10.663 6.656 209 HG3 ARG 28 HG3 ARG 28 -3.274 -10.082 7.721 210 HD2 ARG 28 HD2 ARG 28 -4.616 -12.758 8.063 211 HD3 ARG 28 HD3 ARG 28 -3.172 -12.524 7.081 212 HE ARG 28 HE ARG 28 -2.778 -11.483 9.687 213 HH11 ARG 28 HH11 ARG 28 -2.979 -14.513 7.943 214 HH12 ARG 28 HH12 ARG 28 -1.958 -15.369 9.062 215 HH21 ARG 28 HH21 ARG 28 -1.461 -12.630 11.189 216 HH22 ARG 28 HH22 ARG 28 -1.141 -14.321 10.916 217 H SER 29 H SER 29 -6.790 -9.765 11.559 218 HA SER 29 HA SER 29 -6.975 -6.968 11.575 219 HB2 SER 29 HB2 SER 29 -8.817 -8.458 12.295 220 HB3 SER 29 HB3 SER 29 -7.890 -8.901 13.729 221 HG SER 29 HG SER 29 -9.363 -7.264 14.234 222 H ARG 30 H ARG 30 -5.236 -9.198 13.675 223 HA ARG 30 HA ARG 30 -4.272 -7.255 15.512 224 HB2 ARG 30 HB2 ARG 30 -3.218 -9.977 14.728 225 HB3 ARG 30 HB3 ARG 30 -2.559 -9.016 16.043 226 HG2 ARG 30 HG2 ARG 30 -5.396 -10.010 15.879 227 HG3 ARG 30 HG3 ARG 30 -4.102 -10.760 16.816 228 HD2 ARG 30 HD2 ARG 30 -3.830 -8.571 18.001 229 HD3 ARG 30 HD3 ARG 30 -5.296 -8.025 17.192 230 HE ARG 30 HE ARG 30 -6.382 -10.016 18.318 231 HH11 ARG 30 HH11 ARG 30 -3.641 -8.316 19.674 232 HH12 ARG 30 HH12 ARG 30 -4.006 -8.754 21.315 233 HH21 ARG 30 HH21 ARG 30 -6.887 -10.589 20.476 234 HH22 ARG 30 HH22 ARG 30 -5.862 -10.043 21.774 235 H VAL 31 H VAL 31 -3.195 -8.504 12.456 236 HA VAL 31 HA VAL 31 -0.599 -7.318 12.483 237 HB VAL 31 HB VAL 31 -2.189 -8.294 10.099 238 HG11 VAL 31 HG11 VAL 31 0.003 -8.590 9.042 239 HG12 VAL 31 HG12 VAL 31 0.778 -7.890 10.464 240 HG13 VAL 31 HG13 VAL 31 -0.292 -6.903 9.468 241 HG21 VAL 31 HG21 VAL 31 -1.992 -10.055 11.754 242 HG22 VAL 31 HG22 VAL 31 -0.255 -9.779 11.870 243 HG23 VAL 31 HG23 VAL 31 -0.952 -10.398 10.372 244 H LEU 32 H LEU 32 -3.761 -6.181 11.739 245 HA LEU 32 HA LEU 32 -3.265 -4.211 9.838 246 HB2 LEU 32 HB2 LEU 32 -5.507 -4.930 10.554 247 HB3 LEU 32 HB3 LEU 32 -5.264 -4.139 12.099 248 HG LEU 32 HG LEU 32 -5.104 -1.957 10.915 249 HD11 LEU 32 HD11 LEU 32 -5.893 -1.843 8.585 250 HD12 LEU 32 HD12 LEU 32 -5.870 -3.604 8.514 251 HD13 LEU 32 HD13 LEU 32 -4.366 -2.713 8.745 252 HD21 LEU 32 HD21 LEU 32 -7.624 -3.525 10.397 253 HD22 LEU 32 HD22 LEU 32 -7.486 -1.767 10.441 254 HD23 LEU 32 HD23 LEU 32 -7.205 -2.711 11.903 255 H ARG 33 H ARG 33 -2.803 -4.158 13.314 256 HA ARG 33 HA ARG 33 -2.316 -1.430 13.702 257 HB2 ARG 33 HB2 ARG 33 -1.005 -3.783 15.078 258 HB3 ARG 33 HB3 ARG 33 -0.999 -2.128 15.666 259 HG2 ARG 33 HG2 ARG 33 -3.402 -2.199 15.971 260 HG3 ARG 33 HG3 ARG 33 -3.454 -3.835 15.303 261 HD2 ARG 33 HD2 ARG 33 -2.066 -4.648 17.115 262 HD3 ARG 33 HD3 ARG 33 -1.906 -3.016 17.756 263 HE ARG 33 HE ARG 33 -4.641 -3.717 17.602 264 HH11 ARG 33 HH11 ARG 33 -1.731 -4.437 19.410 265 HH12 ARG 33 HH12 ARG 33 -2.569 -4.841 20.874 266 HH21 ARG 33 HH21 ARG 33 -5.763 -4.271 19.530 267 HH22 ARG 33 HH22 ARG 33 -4.859 -4.754 20.942 268 H TYR 34 H TYR 34 -0.184 -4.053 12.754 269 HA TYR 34 HA TYR 34 2.177 -2.437 12.575 270 HB2 TYR 34 HB2 TYR 34 2.209 -4.878 13.061 271 HB3 TYR 34 HB3 TYR 34 1.592 -5.191 11.444 272 HD1 TYR 34 HD1 TYR 34 4.509 -4.046 13.377 273 HD2 TYR 34 HD2 TYR 34 3.046 -5.147 9.539 274 HE1 TYR 34 HE1 TYR 34 6.819 -4.181 12.543 275 HE2 TYR 34 HE2 TYR 34 5.350 -5.281 8.693 276 HH TYR 34 HH TYR 34 8.081 -5.221 10.779 277 H LEU 35 H LEU 35 -0.135 -3.838 10.311 278 HA LEU 35 HA LEU 35 1.071 -3.210 7.905 279 HB2 LEU 35 HB2 LEU 35 -0.893 -4.673 8.202 280 HB3 LEU 35 HB3 LEU 35 -1.880 -3.269 8.545 281 HG LEU 35 HG LEU 35 -0.462 -3.361 5.920 282 HD11 LEU 35 HD11 LEU 35 -1.368 -5.600 6.085 283 HD12 LEU 35 HD12 LEU 35 -2.343 -4.646 4.968 284 HD13 LEU 35 HD13 LEU 35 -2.928 -4.961 6.602 285 HD21 LEU 35 HD21 LEU 35 -1.791 -1.401 6.577 286 HD22 LEU 35 HD22 LEU 35 -3.207 -2.435 6.777 287 HD23 LEU 35 HD23 LEU 35 -2.486 -2.224 5.181 288 H GLU 36 H GLU 36 -1.186 -1.216 9.798 289 HA GLU 36 HA GLU 36 -1.677 0.780 7.955 290 HB2 GLU 36 HB2 GLU 36 -2.880 0.550 10.072 291 HB3 GLU 36 HB3 GLU 36 -1.444 1.047 10.954 292 HG2 GLU 36 HG2 GLU 36 -1.546 3.240 9.851 293 HG3 GLU 36 HG3 GLU 36 -3.024 2.738 9.032 294 H LEU 37 H LEU 37 0.992 0.637 10.302 295 HA LEU 37 HA LEU 37 1.907 3.264 9.522 296 HB2 LEU 37 HB2 LEU 37 2.795 1.271 11.566 297 HB3 LEU 37 HB3 LEU 37 3.840 2.609 11.136 298 HG LEU 37 HG LEU 37 1.964 4.163 11.762 299 HD11 LEU 37 HD11 LEU 37 0.765 1.656 12.930 300 HD12 LEU 37 HD12 LEU 37 0.116 2.584 11.577 301 HD13 LEU 37 HD13 LEU 37 0.185 3.303 13.186 302 HD21 LEU 37 HD21 LEU 37 2.998 2.352 13.940 303 HD22 LEU 37 HD22 LEU 37 2.372 3.987 14.152 304 HD23 LEU 37 HD23 LEU 37 3.861 3.723 13.242 305 H TYR 38 H TYR 38 2.282 0.292 8.141 306 HA TYR 38 HA TYR 38 4.920 1.058 7.073 307 HB2 TYR 38 HB2 TYR 38 3.811 -1.704 7.588 308 HB3 TYR 38 HB3 TYR 38 5.242 -1.408 6.606 309 HD1 TYR 38 HD2 TYR 38 3.845 -1.039 10.017 310 HD2 TYR 38 HD1 TYR 38 7.356 -1.043 7.620 311 HE1 TYR 38 HE2 TYR 38 5.220 -1.052 12.048 312 HE2 TYR 38 HE1 TYR 38 8.743 -1.058 9.652 313 HH TYR 38 HH TYR 38 8.403 -0.287 12.127 314 H ILE 39 H ILE 39 1.798 1.126 6.294 315 HA ILE 39 HA ILE 39 2.324 0.444 3.481 316 HB ILE 39 HB ILE 39 0.498 -0.886 4.378 317 HG12 ILE 39 HG12 ILE 39 -1.274 -0.279 2.754 318 HG13 ILE 39 HG13 ILE 39 -0.478 1.267 2.484 319 HG21 ILE 39 HG21 ILE 39 -0.260 0.539 6.168 320 HG22 ILE 39 HG22 ILE 39 -1.611 0.159 5.099 321 HG23 ILE 39 HG23 ILE 39 -0.835 1.742 5.012 322 HD11 ILE 39 HD11 ILE 39 0.007 -0.319 0.708 323 HD12 ILE 39 HD12 ILE 39 0.688 -1.440 1.886 324 HD13 ILE 39 HD13 ILE 39 1.471 0.113 1.593 325 H PHE 40 H PHE 40 0.794 2.880 5.589 326 HA PHE 40 HA PHE 40 1.569 4.887 3.648 327 HB2 PHE 40 HB2 PHE 40 -0.780 5.958 3.894 328 HB3 PHE 40 HB3 PHE 40 -0.549 4.647 2.749 329 HD1 PHE 40 HD1 PHE 40 -1.468 5.025 6.373 330 HD2 PHE 40 HD2 PHE 40 -2.226 3.114 2.644 331 HE1 PHE 40 HE1 PHE 40 -3.353 3.815 7.383 332 HE2 PHE 40 HE2 PHE 40 -4.112 1.896 3.655 333 HZ PHE 40 HZ PHE 40 -4.676 2.245 6.024 334 HA PRO 41 HA PRO 41 2.121 6.066 8.087 335 HB2 PRO 41 HB2 PRO 41 4.831 6.807 7.347 336 HB3 PRO 41 HB3 PRO 41 4.290 5.601 8.515 337 HG2 PRO 41 HG2 PRO 41 5.509 4.964 6.164 338 HG3 PRO 41 HG3 PRO 41 4.352 3.903 6.986 339 HD2 PRO 41 HD2 PRO 41 3.934 5.710 4.638 340 HD3 PRO 41 HD3 PRO 41 3.291 4.079 4.938 341 H HIS 42 H HIS 42 3.842 7.800 5.474 342 HA HIS 42 HA HIS 42 3.061 10.338 6.695 343 HB2 HIS 42 HB2 HIS 42 5.430 9.909 6.008 344 HB3 HIS 42 HB3 HIS 42 4.890 9.847 4.336 345 HD1 HIS 42 HD1 HIS 42 6.064 12.138 6.906 346 HD2 HIS 42 HD2 HIS 42 3.838 12.408 3.401 347 HE1 HIS 42 HE1 HIS 42 6.114 14.561 6.256 348 HE2 HIS 42 HE2 HIS 42 4.934 14.664 4.029 349 H ILE 43 H ILE 43 2.661 8.511 3.716 350 HA ILE 43 HA ILE 43 1.212 10.718 2.488 351 HB ILE 43 HB ILE 43 1.204 9.151 0.461 352 HG12 ILE 43 HG12 ILE 43 3.226 7.546 0.578 353 HG13 ILE 43 HG13 ILE 43 3.038 7.652 2.323 354 HG21 ILE 43 HG21 ILE 43 3.535 9.737 -0.092 355 HG22 ILE 43 HG22 ILE 43 3.796 10.190 1.593 356 HG23 ILE 43 HG23 ILE 43 2.637 11.080 0.607 357 HD11 ILE 43 HD11 ILE 43 1.959 5.671 1.467 358 HD12 ILE 43 HD12 ILE 43 0.981 6.648 0.369 359 HD13 ILE 43 HD13 ILE 43 0.755 6.788 2.113 360 H GLY 44 H GLY 44 0.216 8.707 4.652 361 HA2 GLY 44 HA2 GLY 44 -1.880 7.235 3.394 362 HA3 GLY 44 HA3 GLY 44 -1.691 7.500 5.119 363 H SER 45 H SER 45 -1.602 10.497 4.347 364 HA SER 45 HA SER 45 -4.464 10.865 4.662 365 HB2 SER 45 HB2 SER 45 -2.229 12.900 4.749 366 HB3 SER 45 HB3 SER 45 -3.894 13.147 5.277 367 HG SER 45 HG SER 45 -3.292 11.133 6.646 368 H SER 46 H SER 46 -2.895 10.237 2.055 369 HA SER 46 HA SER 46 -3.883 12.472 0.442 370 HB2 SER 46 HB2 SER 46 -2.134 10.128 -0.348 371 HB3 SER 46 HB3 SER 46 -2.564 11.488 -1.387 372 HG SER 46 HG SER 46 -1.413 12.074 1.087 373 H ASP 47 H ASP 47 -5.119 12.010 -1.501 374 HA ASP 47 HA ASP 47 -7.037 9.860 -1.071 375 HB2 ASP 47 HB2 ASP 47 -7.899 12.085 -1.640 376 HB3 ASP 47 HB3 ASP 47 -6.962 12.087 -3.129 377 H ILE 48 H ILE 48 -7.289 8.098 -2.423 378 HA ILE 48 HA ILE 48 -4.931 7.152 -3.616 379 HB ILE 48 HB ILE 48 -6.682 5.686 -2.647 380 HG12 ILE 48 HG12 ILE 48 -6.008 5.066 -5.532 381 HG13 ILE 48 HG13 ILE 48 -4.929 4.809 -4.166 382 HG21 ILE 48 HG21 ILE 48 -8.627 5.079 -4.016 383 HG22 ILE 48 HG22 ILE 48 -8.183 6.323 -5.185 384 HG23 ILE 48 HG23 ILE 48 -8.654 6.779 -3.547 385 HD11 ILE 48 HD11 ILE 48 -7.578 3.451 -4.599 386 HD12 ILE 48 HD12 ILE 48 -6.486 3.183 -3.240 387 HD13 ILE 48 HD13 ILE 48 -5.986 2.742 -4.874 388 H ARG 49 H ARG 49 -7.477 9.072 -4.954 389 HA ARG 49 HA ARG 49 -7.064 8.235 -7.672 390 HB2 ARG 49 HB2 ARG 49 -9.214 9.198 -6.799 391 HB3 ARG 49 HB3 ARG 49 -8.412 10.759 -6.696 392 HG2 ARG 49 HG2 ARG 49 -8.023 10.715 -9.108 393 HG3 ARG 49 HG3 ARG 49 -8.835 9.154 -9.208 394 HD2 ARG 49 HD2 ARG 49 -10.880 10.235 -8.284 395 HD3 ARG 49 HD3 ARG 49 -10.046 11.787 -8.382 396 HE ARG 49 HE ARG 49 -10.399 10.133 -10.793 397 HH11 ARG 49 HH11 ARG 49 -11.005 13.095 -9.022 398 HH12 ARG 49 HH12 ARG 49 -11.628 13.950 -10.398 399 HH21 ARG 49 HH21 ARG 49 -11.202 11.238 -12.615 400 HH22 ARG 49 HH22 ARG 49 -11.748 12.889 -12.456 401 H GLN 50 H GLN 50 -5.219 10.015 -5.569 402 HA GLN 50 HA GLN 50 -3.867 11.339 -7.810 403 HB2 GLN 50 HB2 GLN 50 -5.061 13.034 -6.463 404 HB3 GLN 50 HB3 GLN 50 -4.174 12.506 -5.038 405 HG2 GLN 50 HG2 GLN 50 -3.206 14.522 -5.973 406 HG3 GLN 50 HG3 GLN 50 -2.078 13.173 -6.065 407 HE21 GLN 50 HE21 GLN 50 -1.596 12.273 -8.078 408 HE22 GLN 50 HE22 GLN 50 -1.938 13.096 -9.559 409 H LEU 51 H LEU 51 -2.747 9.269 -7.713 410 HA LEU 51 HA LEU 51 -0.636 9.220 -5.679 411 HB2 LEU 51 HB2 LEU 51 -2.039 7.171 -7.218 412 HB3 LEU 51 HB3 LEU 51 -0.296 6.965 -7.236 413 HG LEU 51 HG LEU 51 -1.322 5.654 -5.449 414 HD11 LEU 51 HD11 LEU 51 0.262 7.994 -4.402 415 HD12 LEU 51 HD12 LEU 51 0.928 6.521 -5.106 416 HD13 LEU 51 HD13 LEU 51 0.039 6.447 -3.585 417 HD21 LEU 51 HD21 LEU 51 -3.287 7.047 -5.059 418 HD22 LEU 51 HD22 LEU 51 -2.263 8.303 -4.361 419 HD23 LEU 51 HD23 LEU 51 -2.413 6.739 -3.558 420 H LYS 52 H LYS 52 1.574 8.742 -6.466 421 HA LYS 52 HA LYS 52 2.058 9.928 -9.107 422 HB2 LYS 52 HB2 LYS 52 3.369 10.672 -6.498 423 HB3 LYS 52 HB3 LYS 52 4.085 11.054 -8.055 424 HG2 LYS 52 HG2 LYS 52 1.401 11.994 -7.062 425 HG3 LYS 52 HG3 LYS 52 2.878 12.958 -7.150 426 HD2 LYS 52 HD2 LYS 52 2.907 12.588 -9.606 427 HD3 LYS 52 HD3 LYS 52 1.357 11.754 -9.463 428 HE2 LYS 52 HE2 LYS 52 0.384 13.810 -8.496 429 HE3 LYS 52 HE3 LYS 52 1.923 14.629 -8.751 430 HZ1 LYS 52 HZ1 LYS 52 0.435 15.140 -10.550 431 HZ2 LYS 52 HZ2 LYS 52 0.160 13.496 -10.853 432 HZ3 LYS 52 HZ3 LYS 52 1.689 14.164 -11.143 433 H THR 53 H THR 53 4.523 9.743 -9.586 434 HA THR 53 HA THR 53 5.160 7.017 -9.862 435 HB THR 53 HB THR 53 7.306 9.055 -10.164 436 HG1 THR 53 HG1 THR 53 6.012 9.451 -12.308 437 HG21 THR 53 HG21 THR 53 7.657 7.866 -12.268 438 HG22 THR 53 HG22 THR 53 6.185 6.932 -12.004 439 HG23 THR 53 HG23 THR 53 7.568 6.720 -10.930 440 H SER 54 H SER 54 7.980 7.095 -9.447 441 HA SER 54 HA SER 54 8.147 5.791 -7.019 442 HB2 SER 54 HB2 SER 54 10.469 7.066 -8.455 443 HB3 SER 54 HB3 SER 54 10.460 5.583 -7.497 444 HG SER 54 HG SER 54 10.377 5.013 -9.659 445 H HIS 55 H HIS 55 7.680 9.036 -7.148 446 HA HIS 55 HA HIS 55 9.436 10.053 -5.183 447 HB2 HIS 55 HB2 HIS 55 6.546 10.825 -5.687 448 HB3 HIS 55 HB3 HIS 55 7.725 11.780 -4.799 449 HD1 HIS 55 HD1 HIS 55 9.397 13.164 -6.155 450 HD2 HIS 55 HD2 HIS 55 6.849 10.842 -8.488 451 HE1 HIS 55 HE1 HIS 55 9.670 14.006 -8.512 452 HE2 HIS 55 HE2 HIS 55 7.924 12.765 -9.846 453 H LEU 56 H LEU 56 6.641 8.036 -5.102 454 HA LEU 56 HA LEU 56 5.875 8.249 -2.401 455 HB2 LEU 56 HB2 LEU 56 4.938 6.989 -4.627 456 HB3 LEU 56 HB3 LEU 56 5.557 5.630 -3.714 457 HG LEU 56 HG LEU 56 3.145 6.040 -3.370 458 HD11 LEU 56 HD11 LEU 56 3.157 5.884 -0.937 459 HD12 LEU 56 HD12 LEU 56 4.834 6.426 -0.911 460 HD13 LEU 56 HD13 LEU 56 4.418 4.884 -1.659 461 HD21 LEU 56 HD21 LEU 56 4.072 8.598 -2.078 462 HD22 LEU 56 HD22 LEU 56 2.431 7.956 -2.020 463 HD23 LEU 56 HD23 LEU 56 3.127 8.458 -3.561 464 H LEU 57 H LEU 57 8.638 6.852 -3.803 465 HA LEU 57 HA LEU 57 9.089 4.660 -2.091 466 HB2 LEU 57 HB2 LEU 57 10.248 4.980 -4.226 467 HB3 LEU 57 HB3 LEU 57 11.074 6.381 -3.574 468 HG LEU 57 HG LEU 57 12.168 4.894 -1.900 469 HD11 LEU 57 HD11 LEU 57 10.973 2.689 -3.572 470 HD12 LEU 57 HD12 LEU 57 10.516 3.087 -1.917 471 HD13 LEU 57 HD13 LEU 57 12.138 2.488 -2.264 472 HD21 LEU 57 HD21 LEU 57 13.322 5.561 -3.941 473 HD22 LEU 57 HD22 LEU 57 12.619 4.189 -4.797 474 HD23 LEU 57 HD23 LEU 57 13.758 3.915 -3.479 475 H ALA 58 H ALA 58 9.318 8.025 -1.503 476 HA ALA 58 HA ALA 58 11.460 8.193 0.263 477 HB1 ALA 58 HB1 ALA 58 10.498 10.257 1.061 478 HB2 ALA 58 HB2 ALA 58 8.934 9.824 0.372 479 HB3 ALA 58 HB3 ALA 58 10.307 10.137 -0.689 480 HA PRO 59 HA PRO 59 8.376 7.319 4.010 481 HB2 PRO 59 HB2 PRO 59 6.335 5.776 2.487 482 HB3 PRO 59 HB3 PRO 59 6.137 6.839 3.883 483 HG2 PRO 59 HG2 PRO 59 5.421 7.655 1.456 484 HG3 PRO 59 HG3 PRO 59 6.210 8.770 2.590 485 HD2 PRO 59 HD2 PRO 59 7.346 7.349 0.220 486 HD3 PRO 59 HD3 PRO 59 7.666 8.992 0.811 487 H ILE 60 H ILE 60 8.558 5.084 1.275 488 HA ILE 60 HA ILE 60 8.765 2.706 2.788 489 HB ILE 60 HB ILE 60 9.469 3.403 -0.056 490 HG12 ILE 60 HG12 ILE 60 7.688 1.678 -0.504 491 HG13 ILE 60 HG13 ILE 60 7.402 1.610 1.228 492 HG21 ILE 60 HG21 ILE 60 9.979 1.054 -0.501 493 HG22 ILE 60 HG22 ILE 60 9.869 0.705 1.223 494 HG23 ILE 60 HG23 ILE 60 11.137 1.772 0.618 495 HD11 ILE 60 HD11 ILE 60 7.040 4.021 -0.532 496 HD12 ILE 60 HD12 ILE 60 6.767 3.968 1.210 497 HD13 ILE 60 HD13 ILE 60 5.762 3.002 0.130 498 H LYS 61 H LYS 61 11.009 5.183 1.957 499 HA LYS 61 HA LYS 61 13.400 3.703 2.327 500 HB2 LYS 61 HB2 LYS 61 12.693 6.503 1.870 501 HB3 LYS 61 HB3 LYS 61 14.110 6.297 2.896 502 HG2 LYS 61 HG2 LYS 61 13.709 5.144 0.142 503 HG3 LYS 61 HG3 LYS 61 14.801 6.461 0.592 504 HD2 LYS 61 HD2 LYS 61 16.125 4.997 1.933 505 HD3 LYS 61 HD3 LYS 61 14.954 3.694 1.769 506 HE2 LYS 61 HE2 LYS 61 15.434 3.659 -0.672 507 HE3 LYS 61 HE3 LYS 61 16.719 4.836 -0.387 508 HZ1 LYS 61 HZ1 LYS 61 16.555 2.120 0.824 509 HZ2 LYS 61 HZ2 LYS 61 17.784 3.255 1.107 510 HZ3 LYS 61 HZ3 LYS 61 17.594 2.582 -0.439 511 H GLU 62 H GLU 62 11.207 5.232 4.528 512 HA GLU 62 HA GLU 62 12.890 5.222 6.808 513 HB2 GLU 62 HB2 GLU 62 10.532 6.279 6.478 514 HB3 GLU 62 HB3 GLU 62 9.925 4.689 6.910 515 HG2 GLU 62 HG2 GLU 62 11.697 6.408 8.634 516 HG3 GLU 62 HG3 GLU 62 9.953 6.247 8.803 517 H VAL 63 H VAL 63 10.627 2.874 5.442 518 HA VAL 63 HA VAL 63 10.893 0.956 7.506 519 HB VAL 63 HB VAL 63 9.923 0.528 4.676 520 HG11 VAL 63 HG11 VAL 63 8.676 -1.351 5.619 521 HG12 VAL 63 HG12 VAL 63 9.412 -1.049 7.193 522 HG13 VAL 63 HG13 VAL 63 10.416 -1.555 5.835 523 HG21 VAL 63 HG21 VAL 63 7.679 0.891 5.592 524 HG22 VAL 63 HG22 VAL 63 8.691 2.327 5.749 525 HG23 VAL 63 HG23 VAL 63 8.387 1.304 7.154 526 H ASP 64 H ASP 64 12.358 1.191 4.257 527 HA ASP 64 HA ASP 64 13.589 -1.361 4.392 528 HB2 ASP 64 HB2 ASP 64 14.450 -0.934 2.303 529 HB3 ASP 64 HB3 ASP 64 13.141 0.241 2.329 530 H THR 65 H THR 65 14.715 1.887 5.177 531 HA THR 65 HA THR 65 17.394 1.039 5.766 532 HB THR 65 HB THR 65 16.045 3.644 6.507 533 HG1 THR 65 HG1 THR 65 16.022 3.000 4.181 534 HG21 THR 65 HG21 THR 65 18.310 4.557 6.477 535 HG22 THR 65 HG22 THR 65 18.958 2.972 6.059 536 HG23 THR 65 HG23 THR 65 18.203 3.227 7.632 537 H SER 66 H SER 66 14.421 1.150 7.459 538 HA SER 66 HA SER 66 15.466 1.159 10.111 539 HB2 SER 66 HB2 SER 66 13.098 1.713 9.510 540 HB3 SER 66 HB3 SER 66 12.840 0.016 9.118 541 HG SER 66 HG SER 66 12.965 1.276 11.557 542 H GLY 67 H GLY 67 15.266 -1.148 7.591 543 HA2 GLY 67 HA2 GLY 67 16.891 -3.030 8.042 544 HA3 GLY 67 HA3 GLY 67 15.911 -3.331 9.470 545 H LYS 68 H LYS 68 13.518 -2.514 7.771 546 HA LYS 68 HA LYS 68 12.979 -5.240 6.887 547 HB2 LYS 68 HB2 LYS 68 11.218 -2.856 7.430 548 HB3 LYS 68 HB3 LYS 68 10.606 -4.351 6.734 549 HG2 LYS 68 HG2 LYS 68 10.588 -5.386 8.703 550 HG3 LYS 68 HG3 LYS 68 12.191 -4.788 9.128 551 HD2 LYS 68 HD2 LYS 68 9.635 -3.203 9.329 552 HD3 LYS 68 HD3 LYS 68 10.445 -3.998 10.679 553 HE2 LYS 68 HE2 LYS 68 12.483 -2.630 10.115 554 HE3 LYS 68 HE3 LYS 68 11.470 -1.728 8.990 555 HZ1 LYS 68 HZ1 LYS 68 10.142 -0.922 10.738 556 HZ2 LYS 68 HZ2 LYS 68 11.741 -0.731 11.262 557 HZ3 LYS 68 HZ3 LYS 68 10.798 -2.007 11.865 558 H HIS 69 H HIS 69 14.704 -4.096 5.213 559 HA HIS 69 HA HIS 69 13.535 -2.703 3.049 560 HB2 HIS 69 HB2 HIS 69 15.596 -3.492 1.760 561 HB3 HIS 69 HB3 HIS 69 15.864 -2.485 3.175 562 HD1 HIS 69 HD1 HIS 69 17.820 -3.238 4.436 563 HD2 HIS 69 HD2 HIS 69 15.816 -6.443 2.687 564 HE1 HIS 69 HE1 HIS 69 19.102 -5.296 5.109 565 HE2 HIS 69 HE2 HIS 69 17.939 -7.210 3.955 566 H ASP 70 H ASP 70 13.732 -6.122 3.789 567 HA ASP 70 HA ASP 70 13.000 -6.992 1.154 568 HB2 ASP 70 HB2 ASP 70 14.104 -8.540 2.695 569 HB3 ASP 70 HB3 ASP 70 12.753 -8.412 3.818 570 H VAL 71 H VAL 71 11.293 -6.230 4.120 571 HA VAL 71 HA VAL 71 8.711 -6.982 3.232 572 HB VAL 71 HB VAL 71 9.426 -4.927 5.335 573 HG11 VAL 71 HG11 VAL 71 7.099 -4.786 4.601 574 HG12 VAL 71 HG12 VAL 71 7.206 -5.417 6.246 575 HG13 VAL 71 HG13 VAL 71 6.895 -6.512 4.898 576 HG21 VAL 71 HG21 VAL 71 8.900 -7.880 5.623 577 HG22 VAL 71 HG22 VAL 71 9.179 -6.744 6.943 578 HG23 VAL 71 HG23 VAL 71 10.467 -7.091 5.788 579 H ALA 72 H ALA 72 10.371 -3.845 3.403 580 HA ALA 72 HA ALA 72 8.358 -2.247 2.322 581 HB1 ALA 72 HB1 ALA 72 10.357 -1.365 3.420 582 HB2 ALA 72 HB2 ALA 72 10.125 -0.642 1.828 583 HB3 ALA 72 HB3 ALA 72 11.344 -1.896 2.058 584 H GLN 73 H GLN 73 10.830 -4.182 0.734 585 HA GLN 73 HA GLN 73 10.515 -3.365 -1.908 586 HB2 GLN 73 HB2 GLN 73 12.128 -5.087 -0.768 587 HB3 GLN 73 HB3 GLN 73 10.891 -6.252 -1.201 588 HG2 GLN 73 HG2 GLN 73 12.503 -6.298 -2.907 589 HG3 GLN 73 HG3 GLN 73 11.095 -5.465 -3.563 590 HE21 GLN 73 HE21 GLN 73 12.382 -4.462 -5.148 591 HE22 GLN 73 HE22 GLN 73 13.447 -3.159 -4.759 592 H ARG 74 H ARG 74 8.856 -5.890 -0.093 593 HA ARG 74 HA ARG 74 7.129 -6.832 -2.058 594 HB2 ARG 74 HB2 ARG 74 6.994 -6.756 0.929 595 HB3 ARG 74 HB3 ARG 74 5.612 -7.330 0.012 596 HG2 ARG 74 HG2 ARG 74 8.399 -8.459 -0.115 597 HG3 ARG 74 HG3 ARG 74 7.025 -9.169 0.740 598 HD2 ARG 74 HD2 ARG 74 5.823 -9.195 -1.480 599 HD3 ARG 74 HD3 ARG 74 7.365 -8.784 -2.226 600 HE ARG 74 HE ARG 74 7.717 -11.043 -0.595 601 HH11 ARG 74 HH11 ARG 74 6.249 -10.059 -3.614 602 HH12 ARG 74 HH12 ARG 74 6.221 -11.661 -4.285 603 HH21 ARG 74 HH21 ARG 74 7.725 -13.166 -1.487 604 HH22 ARG 74 HH22 ARG 74 7.076 -13.425 -3.083 605 H LEU 75 H LEU 75 6.718 -4.043 0.106 606 HA LEU 75 HA LEU 75 3.989 -3.621 -0.407 607 HB2 LEU 75 HB2 LEU 75 6.196 -1.857 0.564 608 HB3 LEU 75 HB3 LEU 75 4.666 -1.130 0.118 609 HG LEU 75 HG LEU 75 4.605 -1.452 2.459 610 HD11 LEU 75 HD11 LEU 75 2.757 -3.025 2.760 611 HD12 LEU 75 HD12 LEU 75 3.064 -3.684 1.153 612 HD13 LEU 75 HD13 LEU 75 2.537 -2.011 1.335 613 HD21 LEU 75 HD21 LEU 75 5.449 -4.303 1.972 614 HD22 LEU 75 HD22 LEU 75 4.981 -3.630 3.532 615 HD23 LEU 75 HD23 LEU 75 6.421 -3.029 2.709 616 H GLN 76 H GLN 76 6.849 -2.569 -2.147 617 HA GLN 76 HA GLN 76 5.612 -0.740 -3.904 618 HB2 GLN 76 HB2 GLN 76 7.911 -2.442 -4.794 619 HB3 GLN 76 HB3 GLN 76 7.630 -0.724 -5.058 620 HG2 GLN 76 HG2 GLN 76 7.960 -0.456 -2.574 621 HG3 GLN 76 HG3 GLN 76 8.575 -2.097 -2.573 622 HE21 GLN 76 HE21 GLN 76 10.617 -1.461 -1.920 623 HE22 GLN 76 HE22 GLN 76 11.711 -0.640 -2.974 624 H GLN 77 H GLN 77 6.296 -4.153 -4.108 625 HA GLN 77 HA GLN 77 5.267 -4.623 -6.700 626 HB2 GLN 77 HB2 GLN 77 5.525 -6.521 -4.361 627 HB3 GLN 77 HB3 GLN 77 5.215 -7.002 -6.024 628 HG2 GLN 77 HG2 GLN 77 7.365 -6.129 -6.706 629 HG3 GLN 77 HG3 GLN 77 7.672 -5.549 -5.069 630 HE21 GLN 77 HE21 GLN 77 9.166 -7.450 -6.717 631 HE22 GLN 77 HE22 GLN 77 9.241 -8.912 -5.793 632 H ARG 78 H ARG 78 3.754 -4.387 -3.575 633 HA ARG 78 HA ARG 78 1.283 -5.592 -4.457 634 HB2 ARG 78 HB2 ARG 78 2.042 -4.216 -1.879 635 HB3 ARG 78 HB3 ARG 78 0.472 -4.953 -2.178 636 HG2 ARG 78 HG2 ARG 78 1.481 -7.123 -2.407 637 HG3 ARG 78 HG3 ARG 78 3.097 -6.427 -2.283 638 HD2 ARG 78 HD2 ARG 78 2.564 -5.672 0.001 639 HD3 ARG 78 HD3 ARG 78 0.981 -6.438 -0.134 640 HE ARG 78 HE ARG 78 2.633 -8.490 -0.664 641 HH11 ARG 78 HH11 ARG 78 2.647 -6.113 1.906 642 HH12 ARG 78 HH12 ARG 78 3.366 -7.176 3.077 643 HH21 ARG 78 HH21 ARG 78 3.579 -9.899 0.854 644 HH22 ARG 78 HH22 ARG 78 3.903 -9.348 2.474 645 H VAL 79 H VAL 79 2.497 -2.322 -3.831 646 HA VAL 79 HA VAL 79 -0.052 -1.085 -4.011 647 HB VAL 79 HB VAL 79 1.858 -0.016 -2.870 648 HG11 VAL 79 HG11 VAL 79 2.932 0.425 -5.649 649 HG12 VAL 79 HG12 VAL 79 3.657 -0.563 -4.380 650 HG13 VAL 79 HG13 VAL 79 3.552 1.186 -4.184 651 HG21 VAL 79 HG21 VAL 79 0.648 1.603 -5.105 652 HG22 VAL 79 HG22 VAL 79 1.445 2.268 -3.681 653 HG23 VAL 79 HG23 VAL 79 -0.041 1.337 -3.503 654 H THR 80 H THR 80 2.417 -1.834 -6.427 655 HA THR 80 HA THR 80 1.282 -0.320 -8.525 656 HB THR 80 HB THR 80 3.557 -1.134 -8.734 657 HG1 THR 80 HG1 THR 80 3.407 -1.513 -10.844 658 HG21 THR 80 HG21 THR 80 4.060 -3.495 -9.132 659 HG22 THR 80 HG22 THR 80 2.368 -3.903 -8.843 660 HG23 THR 80 HG23 THR 80 3.352 -3.241 -7.537 661 H ALA 81 H ALA 81 0.555 -3.476 -7.211 662 HA ALA 81 HA ALA 81 -1.181 -4.322 -9.293 663 HB1 ALA 81 HB1 ALA 81 -2.001 -5.963 -7.662 664 HB2 ALA 81 HB2 ALA 81 -1.105 -5.136 -6.387 665 HB3 ALA 81 HB3 ALA 81 -0.241 -5.915 -7.714 666 H ILE 82 H ILE 82 -1.635 -2.579 -6.258 667 HA ILE 82 HA ILE 82 -4.434 -2.364 -6.315 668 HB ILE 82 HB ILE 82 -2.467 -0.357 -5.196 669 HG12 ILE 82 HG12 ILE 82 -3.807 -2.708 -3.844 670 HG13 ILE 82 HG13 ILE 82 -2.121 -2.659 -4.342 671 HG21 ILE 82 HG21 ILE 82 -4.721 0.543 -5.401 672 HG22 ILE 82 HG22 ILE 82 -4.309 0.281 -3.705 673 HG23 ILE 82 HG23 ILE 82 -5.368 -0.855 -4.539 674 HD11 ILE 82 HD11 ILE 82 -2.320 -2.255 -1.973 675 HD12 ILE 82 HD12 ILE 82 -3.418 -0.908 -2.271 676 HD13 ILE 82 HD13 ILE 82 -1.734 -0.804 -2.788 677 H MET 83 H MET 83 -1.894 -0.267 -7.616 678 HA MET 83 HA MET 83 -3.542 1.748 -8.671 679 HB2 MET 83 HB2 MET 83 -0.858 0.767 -9.667 680 HB3 MET 83 HB3 MET 83 -1.633 2.262 -10.163 681 HG2 MET 83 HG2 MET 83 -0.877 1.650 -7.321 682 HG3 MET 83 HG3 MET 83 0.176 2.491 -8.452 683 HE1 MET 83 HE1 MET 83 -3.634 4.167 -6.472 684 HE2 MET 83 HE2 MET 83 -2.735 2.740 -5.956 685 HE3 MET 83 HE3 MET 83 -3.702 2.689 -7.430 686 H ARG 84 H ARG 84 -2.294 -1.233 -10.101 687 HA ARG 84 HA ARG 84 -3.231 -1.020 -12.681 688 HB2 ARG 84 HB2 ARG 84 -1.806 -2.840 -12.002 689 HB3 ARG 84 HB3 ARG 84 -3.027 -3.448 -10.895 690 HG2 ARG 84 HG2 ARG 84 -4.477 -3.947 -12.831 691 HG3 ARG 84 HG3 ARG 84 -3.175 -3.426 -13.904 692 HD2 ARG 84 HD2 ARG 84 -1.742 -5.172 -13.113 693 HD3 ARG 84 HD3 ARG 84 -2.894 -5.618 -11.853 694 HE ARG 84 HE ARG 84 -3.904 -5.794 -14.562 695 HH11 ARG 84 HH11 ARG 84 -2.254 -7.484 -11.965 696 HH12 ARG 84 HH12 ARG 84 -2.786 -9.056 -12.483 697 HH21 ARG 84 HH21 ARG 84 -4.568 -7.865 -15.264 698 HH22 ARG 84 HH22 ARG 84 -4.091 -9.275 -14.367 699 H TYR 85 H TYR 85 -4.989 -2.352 -9.871 700 HA TYR 85 HA TYR 85 -7.364 -2.882 -11.332 701 HB2 TYR 85 HB2 TYR 85 -6.796 -2.663 -8.382 702 HB3 TYR 85 HB3 TYR 85 -8.413 -2.987 -8.999 703 HD1 TYR 85 HD2 TYR 85 -8.698 -5.031 -10.531 704 HD2 TYR 85 HD1 TYR 85 -5.283 -4.429 -8.065 705 HE1 TYR 85 HE2 TYR 85 -8.174 -7.428 -10.677 706 HE2 TYR 85 HE1 TYR 85 -4.748 -6.825 -8.209 707 HH TYR 85 HH TYR 85 -5.964 -8.975 -8.655 708 H ALA 86 H ALA 86 -6.162 -0.057 -9.676 709 HA ALA 86 HA ALA 86 -8.642 1.354 -9.631 710 HB1 ALA 86 HB1 ALA 86 -6.801 1.917 -8.119 711 HB2 ALA 86 HB2 ALA 86 -7.301 3.311 -9.076 712 HB3 ALA 86 HB3 ALA 86 -5.830 2.435 -9.495 713 H VAL 87 H VAL 87 -5.960 1.119 -11.911 714 HA VAL 87 HA VAL 87 -6.813 3.180 -13.657 715 HB VAL 87 HB VAL 87 -5.168 0.722 -14.305 716 HG11 VAL 87 HG11 VAL 87 -4.369 1.998 -16.234 717 HG12 VAL 87 HG12 VAL 87 -5.477 3.309 -15.827 718 HG13 VAL 87 HG13 VAL 87 -6.111 1.737 -16.314 719 HG21 VAL 87 HG21 VAL 87 -4.318 3.519 -13.563 720 HG22 VAL 87 HG22 VAL 87 -3.239 2.219 -14.068 721 HG23 VAL 87 HG23 VAL 87 -4.147 2.075 -12.563 722 H GLN 88 H GLN 88 -7.573 -0.246 -13.422 723 HA GLN 88 HA GLN 88 -8.847 -0.667 -15.853 724 HB2 GLN 88 HB2 GLN 88 -9.409 -1.854 -13.137 725 HB3 GLN 88 HB3 GLN 88 -10.195 -2.405 -14.608 726 HG2 GLN 88 HG2 GLN 88 -7.972 -2.949 -15.542 727 HG3 GLN 88 HG3 GLN 88 -7.252 -2.497 -13.996 728 HE21 GLN 88 HE21 GLN 88 -6.450 -4.598 -13.689 729 HE22 GLN 88 HE22 GLN 88 -7.491 -5.911 -13.242 730 H ASN 89 H ASN 89 -10.066 0.876 -12.948 731 HA ASN 89 HA ASN 89 -12.755 1.014 -14.068 732 HB2 ASN 89 HB2 ASN 89 -11.591 1.583 -11.361 733 HB3 ASN 89 HB3 ASN 89 -13.182 2.202 -11.793 734 HD21 ASN 89 HD21 ASN 89 -12.248 0.149 -9.831 735 HD22 ASN 89 HD22 ASN 89 -13.207 -1.249 -10.186 736 H ASP 90 H ASP 90 -10.078 2.736 -14.539 737 HA ASP 90 HA ASP 90 -9.545 4.847 -15.194 738 HB2 ASP 90 HB2 ASP 90 -12.537 5.108 -15.588 739 HB3 ASP 90 HB3 ASP 90 -11.347 6.272 -16.155 740 H TYR 91 H TYR 91 -10.231 4.240 -12.381 741 HA TYR 91 HA TYR 91 -11.759 6.398 -11.341 742 HB2 TYR 91 HB2 TYR 91 -11.552 4.156 -10.249 743 HB3 TYR 91 HB3 TYR 91 -9.894 4.568 -9.825 744 HD1 TYR 91 HD2 TYR 91 -13.435 5.481 -9.268 745 HD2 TYR 91 HD1 TYR 91 -9.417 5.943 -7.945 746 HE1 TYR 91 HE2 TYR 91 -14.242 6.567 -7.217 747 HE2 TYR 91 HE1 TYR 91 -10.215 7.027 -5.885 748 HH TYR 91 HH TYR 91 -12.222 8.269 -5.103 749 H ILE 92 H ILE 92 -8.287 5.785 -11.651 750 HA ILE 92 HA ILE 92 -7.745 8.208 -10.130 751 HB ILE 92 HB ILE 92 -5.309 7.485 -10.435 752 HG12 ILE 92 HG12 ILE 92 -6.694 4.921 -11.268 753 HG13 ILE 92 HG13 ILE 92 -5.649 5.903 -12.290 754 HG21 ILE 92 HG21 ILE 92 -6.565 7.261 -8.358 755 HG22 ILE 92 HG22 ILE 92 -5.498 5.876 -8.598 756 HG23 ILE 92 HG23 ILE 92 -7.226 5.723 -8.914 757 HD11 ILE 92 HD11 ILE 92 -3.769 5.436 -10.802 758 HD12 ILE 92 HD12 ILE 92 -4.472 3.957 -11.460 759 HD13 ILE 92 HD13 ILE 92 -4.820 4.436 -9.798 760 H ASP 93 H ASP 93 -5.757 7.110 -12.831 761 HA ASP 93 HA ASP 93 -6.510 8.868 -14.825 762 HB2 ASP 93 HB2 ASP 93 -6.003 10.731 -13.352 763 HB3 ASP 93 HB3 ASP 93 -4.426 10.050 -12.969 764 H SER 94 H SER 94 -3.261 8.614 -13.468 765 HA SER 94 HA SER 94 -2.407 7.144 -15.849 766 HB2 SER 94 HB2 SER 94 -0.086 7.669 -14.828 767 HB3 SER 94 HB3 SER 94 -1.011 9.013 -15.500 768 HG SER 94 HG SER 94 -0.904 9.891 -13.607 769 H ASN 95 H ASN 95 -0.342 5.644 -15.098 770 HA ASN 95 HA ASN 95 -1.399 3.912 -12.976 771 HB2 ASN 95 HB2 ASN 95 -1.544 2.837 -15.138 772 HB3 ASN 95 HB3 ASN 95 0.140 3.216 -15.482 773 HD21 ASN 95 HD21 ASN 95 0.786 1.168 -15.755 774 HD22 ASN 95 HD22 ASN 95 0.880 0.031 -14.467 775 HA PRO 96 HA PRO 96 2.618 5.467 -11.441 776 HB2 PRO 96 HB2 PRO 96 1.434 5.296 -8.804 777 HB3 PRO 96 HB3 PRO 96 1.952 6.730 -9.688 778 HG2 PRO 96 HG2 PRO 96 -0.659 6.149 -9.136 779 HG3 PRO 96 HG3 PRO 96 -0.140 7.120 -10.526 780 HD2 PRO 96 HD2 PRO 96 -0.936 4.238 -10.414 781 HD3 PRO 96 HD3 PRO 96 -1.303 5.465 -11.640 782 H ALA 97 H ALA 97 3.747 4.695 -9.288 783 HA ALA 97 HA ALA 97 4.948 3.059 -8.274 784 HB1 ALA 97 HB1 ALA 97 3.758 1.097 -7.469 785 HB2 ALA 97 HB2 ALA 97 2.418 1.442 -8.564 786 HB3 ALA 97 HB3 ALA 97 2.787 2.553 -7.244 787 H SER 98 H SER 98 4.457 3.063 -11.369 788 HA SER 98 HA SER 98 4.988 0.369 -12.152 789 HB2 SER 98 HB2 SER 98 5.485 1.687 -14.391 790 HB3 SER 98 HB3 SER 98 3.834 1.520 -13.789 791 HG SER 98 HG SER 98 3.792 3.615 -13.760 792 H ASP 99 H ASP 99 6.919 3.360 -12.399 793 HA ASP 99 HA ASP 99 9.343 1.812 -12.794 794 HB2 ASP 99 HB2 ASP 99 8.812 4.007 -13.978 795 HB3 ASP 99 HB3 ASP 99 9.126 4.807 -12.441 796 H MET 100 H MET 100 7.628 2.123 -10.220 797 HA MET 100 HA MET 100 9.527 3.211 -8.341 798 HB2 MET 100 HB2 MET 100 7.128 3.559 -7.981 799 HB3 MET 100 HB3 MET 100 6.879 1.821 -7.892 800 HG2 MET 100 HG2 MET 100 8.234 1.715 -5.880 801 HG3 MET 100 HG3 MET 100 8.537 3.449 -5.979 802 HE1 MET 100 HE1 MET 100 7.357 1.893 -3.407 803 HE2 MET 100 HE2 MET 100 6.116 3.028 -2.880 804 HE3 MET 100 HE3 MET 100 7.688 3.627 -3.412 805 H ALA 101 H ALA 101 11.288 1.872 -8.603 806 HA ALA 101 HA ALA 101 10.966 -0.810 -7.430 807 HB1 ALA 101 HB1 ALA 101 12.797 -1.599 -8.818 808 HB2 ALA 101 HB2 ALA 101 12.978 0.006 -9.528 809 HB3 ALA 101 HB3 ALA 101 11.514 -0.931 -9.827 810 H GLY 102 H GLY 102 12.055 -1.113 -5.602 811 HA2 GLY 102 HA2 GLY 102 13.870 0.923 -4.641 812 HA3 GLY 102 HA3 GLY 102 13.331 -0.501 -3.761 813 H ALA 103 H ALA 103 15.968 0.928 -5.045 814 HA ALA 103 HA ALA 103 17.274 -1.570 -5.840 815 HB1 ALA 103 HB1 ALA 103 17.556 0.355 -7.315 816 HB2 ALA 103 HB2 ALA 103 19.099 -0.143 -6.620 817 HB3 ALA 103 HB3 ALA 103 18.263 1.276 -5.988 818 H LEU 104 H LEU 104 17.536 -2.584 -3.886 819 HA LEU 104 HA LEU 104 18.558 -1.369 -1.550 820 HB2 LEU 104 HB2 LEU 104 18.691 -4.282 -2.345 821 HB3 LEU 104 HB3 LEU 104 18.869 -3.642 -0.721 822 HG LEU 104 HG LEU 104 16.357 -3.566 -2.397 823 HD11 LEU 104 HD11 LEU 104 16.851 -5.790 -1.573 824 HD12 LEU 104 HD12 LEU 104 15.480 -5.108 -0.699 825 HD13 LEU 104 HD13 LEU 104 17.071 -5.162 0.061 826 HD21 LEU 104 HD21 LEU 104 15.279 -2.689 -0.379 827 HD22 LEU 104 HD22 LEU 104 16.519 -1.592 -0.987 828 HD23 LEU 104 HD23 LEU 104 16.849 -2.602 0.421 829 H SER 105 H SER 105 20.135 -3.644 -3.785 830 HA SER 105 HA SER 105 22.649 -2.173 -3.371 831 HB2 SER 105 HB2 SER 105 22.610 -4.397 -2.165 832 HB3 SER 105 HB3 SER 105 22.459 -5.174 -3.740 833 HG SER 105 HG SER 105 24.570 -3.398 -3.056 834 H THR 106 H THR 106 20.325 -2.554 -5.414 835 HA THR 106 HA THR 106 21.564 -3.537 -7.782 836 HB THR 106 HB THR 106 19.236 -1.666 -7.774 837 HG1 THR 106 HG1 THR 106 19.221 -4.448 -7.093 838 HG21 THR 106 HG21 THR 106 19.924 -4.091 -9.433 839 HG22 THR 106 HG22 THR 106 20.104 -2.410 -9.935 840 HG23 THR 106 HG23 THR 106 18.497 -3.077 -9.645 841 H THR 107 H THR 107 23.352 -2.471 -8.302 842 HA THR 107 HA THR 107 23.256 0.440 -8.619 843 HB THR 107 HB THR 107 25.784 0.171 -8.891 844 HG1 THR 107 HG1 THR 107 25.837 -2.087 -9.227 845 HG21 THR 107 HG21 THR 107 24.762 1.059 -6.854 846 HG22 THR 107 HG22 THR 107 26.156 0.050 -6.468 847 HG23 THR 107 HG23 THR 107 24.522 -0.580 -6.249 848 H LYS 108 H LYS 108 24.269 1.353 -10.563 849 HA LYS 108 HA LYS 108 24.051 -0.475 -12.865 850 HB2 LYS 108 HB2 LYS 108 23.313 2.451 -12.691 851 HB3 LYS 108 HB3 LYS 108 23.337 1.520 -14.179 852 HG2 LYS 108 HG2 LYS 108 21.578 0.077 -13.319 853 HG3 LYS 108 HG3 LYS 108 21.568 0.984 -11.805 854 HD2 LYS 108 HD2 LYS 108 20.922 2.081 -14.542 855 HD3 LYS 108 HD3 LYS 108 19.757 1.718 -13.267 856 HE2 LYS 108 HE2 LYS 108 20.991 3.368 -11.826 857 HE3 LYS 108 HE3 LYS 108 21.907 3.826 -13.256 858 HZ1 LYS 108 HZ1 LYS 108 18.948 3.904 -13.207 859 HZ2 LYS 108 HZ2 LYS 108 19.999 4.672 -14.295 860 HZ3 LYS 108 HZ3 LYS 108 19.885 5.220 -12.694 861 H ALA 109 H ALA 109 24.992 0.894 -14.816 862 HA ALA 109 HA ALA 109 27.450 2.303 -14.075 863 HB1 ALA 109 HB1 ALA 109 28.116 -0.007 -14.574 864 HB2 ALA 109 HB2 ALA 109 28.720 1.111 -15.796 865 HB3 ALA 109 HB3 ALA 109 27.316 0.102 -16.143 866 H ARG 110 H ARG 110 24.635 2.626 -15.221 867 HA ARG 110 HA ARG 110 25.334 4.097 -17.668 868 HB2 ARG 110 HB2 ARG 110 23.850 2.234 -18.158 869 HB3 ARG 110 HB3 ARG 110 22.749 2.730 -16.884 870 HG2 ARG 110 HG2 ARG 110 21.799 3.343 -18.973 871 HG3 ARG 110 HG3 ARG 110 22.309 4.818 -18.154 872 HD2 ARG 110 HD2 ARG 110 24.299 4.933 -19.536 873 HD3 ARG 110 HD3 ARG 110 23.882 3.399 -20.303 874 HE ARG 110 HE ARG 110 21.863 5.464 -20.537 875 HH11 ARG 110 HH11 ARG 110 24.711 3.992 -21.971 876 HH12 ARG 110 HH12 ARG 110 24.340 4.557 -23.579 877 HH21 ARG 110 HH21 ARG 110 21.384 6.198 -22.661 878 HH22 ARG 110 HH22 ARG 110 22.451 5.784 -23.967 879 H HIS 111 H HIS 111 25.575 6.147 -17.054 880 HA HIS 111 HA HIS 111 23.385 7.351 -15.493 881 HB2 HIS 111 HB2 HIS 111 25.610 7.191 -14.252 882 HB3 HIS 111 HB3 HIS 111 26.244 8.334 -15.432 883 HD1 HIS 111 HD1 HIS 111 25.738 10.785 -15.062 884 HD2 HIS 111 HD2 HIS 111 23.567 8.271 -12.550 885 HE1 HIS 111 HE1 HIS 111 24.623 12.294 -13.381 886 HE2 HIS 111 HE2 HIS 111 23.341 10.755 -11.851 887 H TYR 112 H TYR 112 22.314 7.912 -17.353 888 HA TYR 112 HA TYR 112 23.400 10.188 -18.796 889 HB2 TYR 112 HB2 TYR 112 24.181 8.181 -20.058 890 HB3 TYR 112 HB3 TYR 112 22.504 7.692 -20.259 891 HD1 TYR 112 HD1 TYR 112 25.008 10.253 -21.186 892 HD2 TYR 112 HD2 TYR 112 21.134 8.662 -21.952 893 HE1 TYR 112 HE1 TYR 112 24.884 11.567 -23.259 894 HE2 TYR 112 HE2 TYR 112 21.002 9.975 -24.028 895 HH TYR 112 HH TYR 112 23.677 11.439 -25.447 896 HA PRO 113 HA PRO 113 18.932 10.644 -18.230 897 HB2 PRO 113 HB2 PRO 113 18.960 13.171 -17.377 898 HB3 PRO 113 HB3 PRO 113 19.452 11.853 -16.305 899 HG2 PRO 113 HG2 PRO 113 21.141 13.795 -17.818 900 HG3 PRO 113 HG3 PRO 113 21.361 13.154 -16.181 901 HD2 PRO 113 HD2 PRO 113 22.661 12.227 -18.460 902 HD3 PRO 113 HD3 PRO 113 22.485 11.333 -16.939 903 H LEU 114 H LEU 114 17.479 12.447 -19.089 904 HA LEU 114 HA LEU 114 18.494 13.336 -21.702 905 HB2 LEU 114 HB2 LEU 114 16.179 11.988 -21.065 906 HB3 LEU 114 HB3 LEU 114 15.628 13.650 -21.136 907 HG LEU 114 HG LEU 114 17.023 12.164 -23.368 908 HD11 LEU 114 HD11 LEU 114 14.862 12.271 -24.490 909 HD12 LEU 114 HD12 LEU 114 14.150 13.021 -23.063 910 HD13 LEU 114 HD13 LEU 114 14.754 11.367 -22.980 911 HD21 LEU 114 HD21 LEU 114 17.536 14.555 -23.383 912 HD22 LEU 114 HD22 LEU 114 15.813 14.926 -23.321 913 HD23 LEU 114 HD23 LEU 114 16.491 14.111 -24.731 914 H GLU 115 H GLU 115 16.655 14.326 -18.868 915 HA GLU 115 HA GLU 115 16.124 16.332 -17.967 916 HB2 GLU 115 HB2 GLU 115 18.577 16.141 -17.514 917 HB3 GLU 115 HB3 GLU 115 18.871 17.128 -18.938 918 HG2 GLU 115 HG2 GLU 115 17.803 19.011 -17.953 919 HG3 GLU 115 HG3 GLU 115 17.202 18.040 -16.611 920 H HIS 116 H HIS 116 14.712 16.256 -20.031 921 HA HIS 116 HA HIS 116 14.997 18.893 -21.312 922 HB2 HIS 116 HB2 HIS 116 15.324 16.999 -22.920 923 HB3 HIS 116 HB3 HIS 116 13.711 16.424 -22.521 924 HD1 HIS 116 HD1 HIS 116 11.723 17.632 -23.616 925 HD2 HIS 116 HD2 HIS 116 15.411 19.336 -24.510 926 HE1 HIS 116 HE1 HIS 116 11.287 19.247 -25.488 927 HE2 HIS 116 HE2 HIS 116 13.556 20.116 -26.137 928 H HIS 117 H HIS 117 13.722 19.967 -19.845 929 HA HIS 117 HA HIS 117 11.487 18.932 -18.559 930 HB2 HIS 117 HB2 HIS 117 10.924 21.199 -17.903 931 HB3 HIS 117 HB3 HIS 117 12.659 20.959 -17.795 932 HD1 HIS 117 HD1 HIS 117 10.176 23.244 -19.072 933 HD2 HIS 117 HD2 HIS 117 14.069 22.202 -20.089 934 HE1 HIS 117 HE1 HIS 117 11.028 25.123 -20.499 935 HE2 HIS 117 HE2 HIS 117 13.458 24.594 -20.864 936 H HIS 118 H HIS 118 9.669 18.234 -19.320 937 HA HIS 118 HA HIS 118 8.715 18.708 -21.912 938 HB2 HIS 118 HB2 HIS 118 6.638 17.599 -21.162 939 HB3 HIS 118 HB3 HIS 118 8.080 16.706 -20.698 940 HD1 HIS 118 HD1 HIS 118 4.973 17.998 -19.378 941 HD2 HIS 118 HD2 HIS 118 8.738 17.112 -17.843 942 HE1 HIS 118 HE1 HIS 118 4.664 17.789 -16.886 943 HE2 HIS 118 HE2 HIS 118 6.914 17.044 -16.014 944 H HIS 119 H HIS 119 7.095 19.982 -22.729 945 HA HIS 119 HA HIS 119 6.888 22.542 -21.486 946 HB2 HIS 119 HB2 HIS 119 7.017 22.106 -23.984 947 HB3 HIS 119 HB3 HIS 119 5.335 21.597 -23.898 948 HD1 HIS 119 HD1 HIS 119 3.863 23.420 -24.696 949 HD2 HIS 119 HD2 HIS 119 7.154 24.875 -22.614 950 HE1 HIS 119 HE1 HIS 119 3.577 25.923 -24.637 951 HE2 HIS 119 HE2 HIS 119 5.488 26.755 -23.214 952 H HIS 120 H HIS 120 5.504 23.132 -20.027 953 HA HIS 120 HA HIS 120 3.405 21.410 -19.149 954 HB2 HIS 120 HB2 HIS 120 4.876 23.030 -17.768 955 HB3 HIS 120 HB3 HIS 120 3.765 24.280 -18.308 956 HD1 HIS 120 HD1 HIS 120 4.347 22.340 -15.495 957 HD2 HIS 120 HD2 HIS 120 0.902 23.226 -17.646 958 HE1 HIS 120 HE1 HIS 120 2.431 21.888 -13.924 959 HE2 HIS 120 HE2 HIS 120 0.359 22.230 -15.318 960 H HIS 121 H HIS 121 1.224 21.591 -19.432 961 HA HIS 121 HA HIS 121 0.279 23.857 -21.062 962 HB2 HIS 121 HB2 HIS 121 0.177 21.695 -22.279 963 HB3 HIS 121 HB3 HIS 121 -0.855 21.050 -21.008 964 HD1 HIS 121 HD1 HIS 121 -2.566 20.658 -23.026 965 HD2 HIS 121 HD2 HIS 121 -1.818 24.627 -22.022 966 HE1 HIS 121 HE1 HIS 121 -4.436 21.984 -24.057 967 HE2 HIS 121 HE2 HIS 121 -4.067 24.352 -23.270 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -17.276 -4.632 6.885 2 H2 MET 1 H2 MET 1 -18.407 -4.296 5.673 3 H3 MET 1 H3 MET 1 -18.851 -5.252 7.002 4 HA MET 1 HA MET 1 -19.769 -3.100 7.304 5 HB2 MET 1 HB2 MET 1 -17.307 -3.477 9.022 6 HB3 MET 1 HB3 MET 1 -18.649 -2.407 9.402 7 HG2 MET 1 HG2 MET 1 -18.766 -5.405 9.161 8 HG3 MET 1 HG3 MET 1 -18.824 -4.464 10.651 9 HE1 MET 1 HE1 MET 1 -22.458 -5.964 10.228 10 HE2 MET 1 HE2 MET 1 -21.041 -5.883 11.277 11 HE3 MET 1 HE3 MET 1 -20.945 -6.719 9.726 12 H GLU 2 H GLU 2 -19.371 -0.782 7.669 13 HA GLU 2 HA GLU 2 -18.683 1.248 6.934 14 HB2 GLU 2 HB2 GLU 2 -16.088 -0.241 6.670 15 HB3 GLU 2 HB3 GLU 2 -16.242 1.431 6.153 16 HG2 GLU 2 HG2 GLU 2 -15.338 1.391 8.322 17 HG3 GLU 2 HG3 GLU 2 -16.970 2.020 8.439 18 H ASN 3 H ASN 3 -19.584 -1.028 5.188 19 HA ASN 3 HA ASN 3 -18.518 -0.429 2.586 20 HB2 ASN 3 HB2 ASN 3 -20.772 -2.213 3.500 21 HB3 ASN 3 HB3 ASN 3 -20.387 -1.970 1.799 22 HD21 ASN 3 HD21 ASN 3 -18.483 -2.803 0.965 23 HD22 ASN 3 HD22 ASN 3 -17.534 -3.983 1.803 24 H SER 4 H SER 4 -19.042 1.893 3.025 25 HA SER 4 HA SER 4 -21.545 2.537 1.627 26 HB2 SER 4 HB2 SER 4 -20.432 4.019 4.030 27 HB3 SER 4 HB3 SER 4 -21.842 4.505 3.085 28 HG SER 4 HG SER 4 -22.643 2.293 3.669 29 H GLY 5 H GLY 5 -19.001 2.164 0.560 30 HA2 GLY 5 HA2 GLY 5 -18.073 3.601 -1.204 31 HA3 GLY 5 HA3 GLY 5 -18.107 4.915 -0.031 32 H ALA 6 H ALA 6 -16.510 5.101 1.471 33 HA ALA 6 HA ALA 6 -14.435 4.900 2.378 34 HB1 ALA 6 HB1 ALA 6 -15.584 3.061 3.520 35 HB2 ALA 6 HB2 ALA 6 -13.867 2.726 3.289 36 HB3 ALA 6 HB3 ALA 6 -15.064 1.955 2.248 37 H TYR 7 H TYR 7 -13.830 5.623 0.109 38 HA TYR 7 HA TYR 7 -12.620 3.718 -1.658 39 HB2 TYR 7 HB2 TYR 7 -11.831 5.960 -2.759 40 HB3 TYR 7 HB3 TYR 7 -13.534 5.511 -2.804 41 HD1 TYR 7 HD1 TYR 7 -11.056 7.677 -1.116 42 HD2 TYR 7 HD2 TYR 7 -15.180 6.835 -1.729 43 HE1 TYR 7 HE1 TYR 7 -11.647 9.807 -0.043 44 HE2 TYR 7 HE2 TYR 7 -15.781 8.962 -0.659 45 HH TYR 7 HH TYR 7 -13.554 11.421 -0.073 46 H THR 8 H THR 8 -11.463 3.659 0.929 47 HA THR 8 HA THR 8 -8.981 5.063 0.987 48 HB THR 8 HB THR 8 -9.592 2.568 2.563 49 HG1 THR 8 HG1 THR 8 -10.850 5.065 2.625 50 HG21 THR 8 HG21 THR 8 -8.327 3.711 4.311 51 HG22 THR 8 HG22 THR 8 -8.144 5.124 3.273 52 HG23 THR 8 HG23 THR 8 -7.368 3.602 2.834 53 H PHE 9 H PHE 9 -6.881 3.947 1.045 54 HA PHE 9 HA PHE 9 -6.279 2.763 -1.370 55 HB2 PHE 9 HB2 PHE 9 -4.672 3.919 0.107 56 HB3 PHE 9 HB3 PHE 9 -4.716 2.552 1.213 57 HD1 PHE 9 HD2 PHE 9 -3.809 3.549 -2.235 58 HD2 PHE 9 HD1 PHE 9 -3.303 0.709 0.898 59 HE1 PHE 9 HE2 PHE 9 -1.970 2.501 -3.483 60 HE2 PHE 9 HE1 PHE 9 -1.462 -0.343 -0.349 61 HZ PHE 9 HZ PHE 9 -0.794 0.554 -2.545 62 H GLU 10 H GLU 10 -6.761 1.137 1.760 63 HA GLU 10 HA GLU 10 -5.967 -1.421 0.810 64 HB2 GLU 10 HB2 GLU 10 -6.127 -0.435 3.252 65 HB3 GLU 10 HB3 GLU 10 -7.747 -1.109 3.194 66 HG2 GLU 10 HG2 GLU 10 -5.256 -2.713 2.667 67 HG3 GLU 10 HG3 GLU 10 -6.005 -2.561 4.252 68 H THR 11 H THR 11 -9.038 0.255 0.950 69 HA THR 11 HA THR 11 -10.805 -1.875 0.983 70 HB THR 11 HB THR 11 -11.268 0.678 -0.548 71 HG1 THR 11 HG1 THR 11 -12.054 1.435 1.536 72 HG21 THR 11 HG21 THR 11 -13.596 0.342 0.144 73 HG22 THR 11 HG22 THR 11 -13.141 -1.150 0.965 74 HG23 THR 11 HG23 THR 11 -13.006 -1.031 -0.790 75 H ILE 12 H ILE 12 -9.390 -0.266 -1.884 76 HA ILE 12 HA ILE 12 -10.754 -2.026 -3.697 77 HB ILE 12 HB ILE 12 -8.517 -0.045 -4.142 78 HG12 ILE 12 HG12 ILE 12 -11.482 -0.014 -4.752 79 HG13 ILE 12 HG13 ILE 12 -10.642 0.976 -3.565 80 HG21 ILE 12 HG21 ILE 12 -8.950 -0.324 -6.551 81 HG22 ILE 12 HG22 ILE 12 -10.036 -1.665 -6.181 82 HG23 ILE 12 HG23 ILE 12 -8.317 -1.792 -5.808 83 HD11 ILE 12 HD11 ILE 12 -10.277 1.124 -6.550 84 HD12 ILE 12 HD12 ILE 12 -9.460 2.133 -5.355 85 HD13 ILE 12 HD13 ILE 12 -11.209 2.248 -5.560 86 H ALA 13 H ALA 13 -7.608 -1.942 -2.165 87 HA ALA 13 HA ALA 13 -6.407 -4.015 -3.685 88 HB1 ALA 13 HB1 ALA 13 -4.784 -4.150 -1.877 89 HB2 ALA 13 HB2 ALA 13 -5.833 -3.184 -0.838 90 HB3 ALA 13 HB3 ALA 13 -5.113 -2.464 -2.278 91 H ARG 14 H ARG 14 -8.567 -3.916 -0.976 92 HA ARG 14 HA ARG 14 -8.268 -6.449 0.104 93 HB2 ARG 14 HB2 ARG 14 -9.624 -4.604 1.055 94 HB3 ARG 14 HB3 ARG 14 -10.848 -4.917 -0.168 95 HG2 ARG 14 HG2 ARG 14 -10.920 -7.287 0.711 96 HG3 ARG 14 HG3 ARG 14 -9.978 -6.696 2.079 97 HD2 ARG 14 HD2 ARG 14 -11.724 -5.032 2.524 98 HD3 ARG 14 HD3 ARG 14 -12.674 -5.697 1.199 99 HE ARG 14 HE ARG 14 -11.939 -7.241 3.605 100 HH11 ARG 14 HH11 ARG 14 -14.191 -6.378 1.069 101 HH12 ARG 14 HH12 ARG 14 -15.399 -7.515 1.578 102 HH21 ARG 14 HH21 ARG 14 -13.565 -8.707 4.299 103 HH22 ARG 14 HH22 ARG 14 -15.052 -8.817 3.416 104 H GLU 15 H GLU 15 -9.867 -5.454 -2.791 105 HA GLU 15 HA GLU 15 -11.624 -7.546 -3.249 106 HB2 GLU 15 HB2 GLU 15 -11.371 -5.465 -4.628 107 HB3 GLU 15 HB3 GLU 15 -9.950 -6.187 -5.366 108 HG2 GLU 15 HG2 GLU 15 -11.802 -6.498 -6.833 109 HG3 GLU 15 HG3 GLU 15 -11.374 -8.063 -6.142 110 H TRP 16 H TRP 16 -8.238 -7.343 -4.468 111 HA TRP 16 HA TRP 16 -8.253 -10.165 -5.064 112 HB2 TRP 16 HB2 TRP 16 -5.842 -9.825 -5.639 113 HB3 TRP 16 HB3 TRP 16 -6.939 -8.775 -6.523 114 HD1 TRP 16 HD1 TRP 16 -6.626 -6.193 -6.256 115 HE1 TRP 16 HE1 TRP 16 -4.908 -4.730 -5.023 116 HE3 TRP 16 HE3 TRP 16 -4.345 -9.803 -3.443 117 HZ2 TRP 16 HZ2 TRP 16 -2.867 -5.061 -3.104 118 HZ3 TRP 16 HZ3 TRP 16 -2.522 -9.144 -1.932 119 HH2 TRP 16 HH2 TRP 16 -1.806 -6.822 -1.769 120 H HIS 17 H HIS 17 -7.202 -8.100 -2.472 121 HA HIS 17 HA HIS 17 -5.615 -9.707 -0.920 122 HB2 HIS 17 HB2 HIS 17 -5.988 -7.490 -0.233 123 HB3 HIS 17 HB3 HIS 17 -7.726 -7.657 -0.306 124 HD1 HIS 17 HD1 HIS 17 -6.631 -6.294 2.071 125 HD2 HIS 17 HD2 HIS 17 -7.155 -10.422 1.941 126 HE1 HIS 17 HE1 HIS 17 -6.884 -7.026 4.454 127 HE2 HIS 17 HE2 HIS 17 -7.599 -9.435 4.278 128 H GLU 18 H GLU 18 -9.184 -9.802 -1.124 129 HA GLU 18 HA GLU 18 -9.564 -11.791 0.835 130 HB2 GLU 18 HB2 GLU 18 -11.244 -11.035 -1.559 131 HB3 GLU 18 HB3 GLU 18 -11.760 -12.195 -0.344 132 HG2 GLU 18 HG2 GLU 18 -11.582 -10.446 1.375 133 HG3 GLU 18 HG3 GLU 18 -11.128 -9.288 0.125 134 H SER 19 H SER 19 -8.315 -12.020 -2.348 135 HA SER 19 HA SER 19 -8.716 -14.939 -2.341 136 HB2 SER 19 HB2 SER 19 -8.132 -13.128 -4.698 137 HB3 SER 19 HB3 SER 19 -8.473 -14.858 -4.766 138 HG SER 19 HG SER 19 -10.441 -13.701 -3.415 139 H ASN 20 H ASN 20 -6.558 -13.091 -1.131 140 HA ASN 20 HA ASN 20 -4.163 -13.699 -2.575 141 HB2 ASN 20 HB2 ASN 20 -4.328 -11.709 -1.138 142 HB3 ASN 20 HB3 ASN 20 -4.515 -12.741 0.275 143 HD21 ASN 20 HD21 ASN 20 -2.727 -13.766 1.133 144 HD22 ASN 20 HD22 ASN 20 -1.114 -13.392 0.646 145 H LYS 21 H LYS 21 -5.740 -15.034 0.301 146 HA LYS 21 HA LYS 21 -4.254 -17.488 -0.123 147 HB2 LYS 21 HB2 LYS 21 -3.726 -17.655 2.339 148 HB3 LYS 21 HB3 LYS 21 -2.784 -16.488 1.426 149 HG2 LYS 21 HG2 LYS 21 -4.295 -14.700 2.278 150 HG3 LYS 21 HG3 LYS 21 -5.068 -15.913 3.301 151 HD2 LYS 21 HD2 LYS 21 -2.144 -15.165 3.360 152 HD3 LYS 21 HD3 LYS 21 -3.360 -14.633 4.519 153 HE2 LYS 21 HE2 LYS 21 -3.733 -16.933 5.220 154 HE3 LYS 21 HE3 LYS 21 -2.583 -17.505 4.015 155 HZ1 LYS 21 HZ1 LYS 21 -0.821 -16.328 5.159 156 HZ2 LYS 21 HZ2 LYS 21 -1.598 -17.390 6.229 157 HZ3 LYS 21 HZ3 LYS 21 -1.920 -15.727 6.306 158 H ARG 22 H ARG 22 -6.438 -16.108 2.359 159 HA ARG 22 HA ARG 22 -8.576 -17.849 1.597 160 HB2 ARG 22 HB2 ARG 22 -7.086 -19.402 2.862 161 HB3 ARG 22 HB3 ARG 22 -7.230 -18.353 4.262 162 HG2 ARG 22 HG2 ARG 22 -9.561 -18.835 4.477 163 HG3 ARG 22 HG3 ARG 22 -9.571 -19.708 2.942 164 HD2 ARG 22 HD2 ARG 22 -9.543 -21.245 4.845 165 HD3 ARG 22 HD3 ARG 22 -8.079 -21.394 3.875 166 HE ARG 22 HE ARG 22 -8.229 -19.981 6.463 167 HH11 ARG 22 HH11 ARG 22 -6.492 -21.908 4.097 168 HH12 ARG 22 HH12 ARG 22 -5.037 -21.984 5.051 169 HH21 ARG 22 HH21 ARG 22 -6.348 -20.106 7.721 170 HH22 ARG 22 HH22 ARG 22 -4.966 -20.982 7.136 171 H TRP 23 H TRP 23 -10.516 -17.389 2.797 172 HA TRP 23 HA TRP 23 -10.604 -14.628 3.543 173 HB2 TRP 23 HB2 TRP 23 -13.063 -15.059 3.806 174 HB3 TRP 23 HB3 TRP 23 -12.410 -15.432 2.217 175 HD1 TRP 23 HD1 TRP 23 -14.129 -17.030 5.188 176 HE1 TRP 23 HE1 TRP 23 -14.718 -19.476 4.619 177 HE3 TRP 23 HE3 TRP 23 -11.541 -17.483 0.800 178 HZ2 TRP 23 HZ2 TRP 23 -14.151 -21.339 2.582 179 HZ3 TRP 23 HZ3 TRP 23 -11.619 -19.632 -0.394 180 HH2 TRP 23 HH2 TRP 23 -12.896 -21.521 0.480 181 H SER 24 H SER 24 -10.748 -13.738 5.438 182 HA SER 24 HA SER 24 -11.732 -14.791 7.824 183 HB2 SER 24 HB2 SER 24 -9.656 -16.255 7.566 184 HB3 SER 24 HB3 SER 24 -8.697 -14.787 7.736 185 HG SER 24 HG SER 24 -10.196 -14.624 9.762 186 H GLU 25 H GLU 25 -12.118 -12.531 6.501 187 HA GLU 25 HA GLU 25 -10.145 -10.584 6.520 188 HB2 GLU 25 HB2 GLU 25 -13.034 -10.643 5.947 189 HB3 GLU 25 HB3 GLU 25 -12.299 -9.064 6.209 190 HG2 GLU 25 HG2 GLU 25 -11.415 -11.132 4.211 191 HG3 GLU 25 HG3 GLU 25 -12.266 -9.625 3.865 192 H ASP 26 H ASP 26 -12.323 -11.351 9.113 193 HA ASP 26 HA ASP 26 -12.566 -8.923 10.406 194 HB2 ASP 26 HB2 ASP 26 -12.212 -11.686 11.565 195 HB3 ASP 26 HB3 ASP 26 -12.549 -10.273 12.559 196 H HIS 27 H HIS 27 -9.747 -10.963 10.162 197 HA HIS 27 HA HIS 27 -8.200 -9.909 12.233 198 HB2 HIS 27 HB2 HIS 27 -6.329 -10.948 11.244 199 HB3 HIS 27 HB3 HIS 27 -7.696 -11.957 10.803 200 HD1 HIS 27 HD1 HIS 27 -8.411 -11.945 8.285 201 HD2 HIS 27 HD2 HIS 27 -4.963 -9.784 9.125 202 HE1 HIS 27 HE1 HIS 27 -7.328 -11.509 6.060 203 HE2 HIS 27 HE2 HIS 27 -5.146 -10.368 6.610 204 H ARG 28 H ARG 28 -9.037 -8.497 9.164 205 HA ARG 28 HA ARG 28 -6.776 -6.938 8.657 206 HB2 ARG 28 HB2 ARG 28 -8.117 -5.650 7.155 207 HB3 ARG 28 HB3 ARG 28 -8.670 -7.315 7.065 208 HG2 ARG 28 HG2 ARG 28 -10.515 -6.694 8.638 209 HG3 ARG 28 HG3 ARG 28 -10.004 -5.016 8.472 210 HD2 ARG 28 HD2 ARG 28 -10.918 -6.814 6.229 211 HD3 ARG 28 HD3 ARG 28 -11.875 -5.549 6.994 212 HE ARG 28 HE ARG 28 -9.465 -5.075 5.354 213 HH11 ARG 28 HH11 ARG 28 -12.498 -3.989 6.720 214 HH12 ARG 28 HH12 ARG 28 -12.599 -2.570 5.724 215 HH21 ARG 28 HH21 ARG 28 -9.567 -3.219 4.032 216 HH22 ARG 28 HH22 ARG 28 -10.916 -2.127 4.205 217 H SER 29 H SER 29 -9.501 -6.312 10.798 218 HA SER 29 HA SER 29 -8.867 -3.549 11.188 219 HB2 SER 29 HB2 SER 29 -11.155 -4.571 11.483 220 HB3 SER 29 HB3 SER 29 -10.560 -5.324 12.962 221 HG SER 29 HG SER 29 -11.511 -2.863 12.619 222 H ARG 30 H ARG 30 -8.026 -6.545 12.723 223 HA ARG 30 HA ARG 30 -6.862 -5.391 15.075 224 HB2 ARG 30 HB2 ARG 30 -7.803 -7.642 15.076 225 HB3 ARG 30 HB3 ARG 30 -6.664 -8.145 13.840 226 HG2 ARG 30 HG2 ARG 30 -4.819 -7.819 15.409 227 HG3 ARG 30 HG3 ARG 30 -5.975 -7.320 16.649 228 HD2 ARG 30 HD2 ARG 30 -7.057 -9.485 16.550 229 HD3 ARG 30 HD3 ARG 30 -5.982 -9.992 15.251 230 HE ARG 30 HE ARG 30 -4.403 -9.256 17.443 231 HH11 ARG 30 HH11 ARG 30 -6.771 -11.689 16.574 232 HH12 ARG 30 HH12 ARG 30 -6.083 -12.914 17.602 233 HH21 ARG 30 HH21 ARG 30 -3.480 -10.871 18.785 234 HH22 ARG 30 HH22 ARG 30 -4.232 -12.438 18.872 235 H VAL 31 H VAL 31 -5.716 -6.638 11.993 236 HA VAL 31 HA VAL 31 -2.944 -6.358 12.543 237 HB VAL 31 HB VAL 31 -4.345 -6.527 9.865 238 HG11 VAL 31 HG11 VAL 31 -1.458 -7.036 10.581 239 HG12 VAL 31 HG12 VAL 31 -2.066 -5.674 9.642 240 HG13 VAL 31 HG13 VAL 31 -2.192 -7.313 9.002 241 HG21 VAL 31 HG21 VAL 31 -3.133 -8.676 11.597 242 HG22 VAL 31 HG22 VAL 31 -3.758 -8.910 9.964 243 HG23 VAL 31 HG23 VAL 31 -4.850 -8.439 11.268 244 H LEU 32 H LEU 32 -5.364 -4.079 11.804 245 HA LEU 32 HA LEU 32 -4.137 -2.187 10.232 246 HB2 LEU 32 HB2 LEU 32 -6.027 -1.853 12.544 247 HB3 LEU 32 HB3 LEU 32 -5.478 -0.491 11.587 248 HG LEU 32 HG LEU 32 -7.037 -2.858 10.542 249 HD11 LEU 32 HD11 LEU 32 -8.364 -1.374 11.965 250 HD12 LEU 32 HD12 LEU 32 -8.858 -1.261 10.276 251 HD13 LEU 32 HD13 LEU 32 -7.864 0.008 10.991 252 HD21 LEU 32 HD21 LEU 32 -7.173 -1.613 8.463 253 HD22 LEU 32 HD22 LEU 32 -5.488 -1.922 8.880 254 HD23 LEU 32 HD23 LEU 32 -6.184 -0.323 9.146 255 H ARG 33 H ARG 33 -3.587 -2.778 13.672 256 HA ARG 33 HA ARG 33 -2.188 -0.407 14.226 257 HB2 ARG 33 HB2 ARG 33 -1.342 -1.535 16.210 258 HB3 ARG 33 HB3 ARG 33 -3.052 -1.868 15.992 259 HG2 ARG 33 HG2 ARG 33 -2.412 -3.973 16.457 260 HG3 ARG 33 HG3 ARG 33 -2.004 -4.009 14.741 261 HD2 ARG 33 HD2 ARG 33 -0.166 -4.894 16.057 262 HD3 ARG 33 HD3 ARG 33 0.306 -3.378 15.289 263 HE ARG 33 HE ARG 33 -0.432 -2.463 17.643 264 HH11 ARG 33 HH11 ARG 33 1.459 -5.327 16.902 265 HH12 ARG 33 HH12 ARG 33 2.325 -5.288 18.417 266 HH21 ARG 33 HH21 ARG 33 0.715 -2.424 19.627 267 HH22 ARG 33 HH22 ARG 33 1.912 -3.646 19.937 268 H TYR 34 H TYR 34 -1.183 -3.396 12.737 269 HA TYR 34 HA TYR 34 1.621 -2.699 12.707 270 HB2 TYR 34 HB2 TYR 34 1.275 -5.016 12.714 271 HB3 TYR 34 HB3 TYR 34 -0.042 -4.921 11.555 272 HD1 TYR 34 HD1 TYR 34 3.659 -4.627 11.870 273 HD2 TYR 34 HD2 TYR 34 0.354 -5.242 9.260 274 HE1 TYR 34 HE1 TYR 34 5.207 -5.224 10.049 275 HE2 TYR 34 HE2 TYR 34 1.893 -5.835 7.439 276 HH TYR 34 HH TYR 34 5.209 -6.453 7.947 277 H LEU 35 H LEU 35 -1.122 -2.659 10.522 278 HA LEU 35 HA LEU 35 0.229 -2.022 8.158 279 HB2 LEU 35 HB2 LEU 35 -2.599 -1.372 8.992 280 HB3 LEU 35 HB3 LEU 35 -1.985 -1.238 7.355 281 HG LEU 35 HG LEU 35 -2.197 -3.802 8.942 282 HD11 LEU 35 HD11 LEU 35 -3.835 -2.764 6.633 283 HD12 LEU 35 HD12 LEU 35 -4.380 -2.971 8.297 284 HD13 LEU 35 HD13 LEU 35 -3.953 -4.380 7.327 285 HD21 LEU 35 HD21 LEU 35 -1.366 -3.314 6.082 286 HD22 LEU 35 HD22 LEU 35 -1.606 -4.895 6.829 287 HD23 LEU 35 HD23 LEU 35 -0.315 -3.836 7.398 288 H GLU 36 H GLU 36 -1.288 0.102 10.582 289 HA GLU 36 HA GLU 36 -0.991 2.521 9.255 290 HB2 GLU 36 HB2 GLU 36 -0.817 1.988 12.221 291 HB3 GLU 36 HB3 GLU 36 -1.022 3.577 11.499 292 HG2 GLU 36 HG2 GLU 36 -3.160 2.868 10.554 293 HG3 GLU 36 HG3 GLU 36 -2.953 1.277 11.287 294 H LEU 37 H LEU 37 1.419 0.685 11.026 295 HA LEU 37 HA LEU 37 3.211 2.991 11.070 296 HB2 LEU 37 HB2 LEU 37 3.211 0.358 12.487 297 HB3 LEU 37 HB3 LEU 37 4.685 1.299 12.378 298 HG LEU 37 HG LEU 37 3.486 3.194 13.485 299 HD11 LEU 37 HD11 LEU 37 1.341 1.127 13.916 300 HD12 LEU 37 HD12 LEU 37 1.204 2.582 12.929 301 HD13 LEU 37 HD13 LEU 37 1.412 2.719 14.676 302 HD21 LEU 37 HD21 LEU 37 3.565 2.219 15.716 303 HD22 LEU 37 HD22 LEU 37 4.935 1.691 14.738 304 HD23 LEU 37 HD23 LEU 37 3.576 0.601 15.014 305 H TYR 38 H TYR 38 3.145 -0.332 9.813 306 HA TYR 38 HA TYR 38 5.834 0.040 8.736 307 HB2 TYR 38 HB2 TYR 38 5.081 -2.051 9.974 308 HB3 TYR 38 HB3 TYR 38 4.121 -2.438 8.552 309 HD1 TYR 38 HD2 TYR 38 7.525 -2.083 9.877 310 HD2 TYR 38 HD1 TYR 38 5.164 -3.249 6.538 311 HE1 TYR 38 HE2 TYR 38 9.487 -3.181 8.881 312 HE2 TYR 38 HE1 TYR 38 7.116 -4.348 5.532 313 HH TYR 38 HH TYR 38 9.579 -4.205 5.663 314 H ILE 39 H ILE 39 2.607 0.280 7.690 315 HA ILE 39 HA ILE 39 3.416 -0.001 4.891 316 HB ILE 39 HB ILE 39 0.625 -0.486 5.947 317 HG12 ILE 39 HG12 ILE 39 2.155 -2.190 6.860 318 HG13 ILE 39 HG13 ILE 39 1.043 -2.880 5.683 319 HG21 ILE 39 HG21 ILE 39 1.906 -1.155 3.300 320 HG22 ILE 39 HG22 ILE 39 0.782 0.171 3.598 321 HG23 ILE 39 HG23 ILE 39 0.239 -1.498 3.768 322 HD11 ILE 39 HD11 ILE 39 3.912 -2.142 5.156 323 HD12 ILE 39 HD12 ILE 39 2.797 -2.876 4.001 324 HD13 ILE 39 HD13 ILE 39 3.296 -3.770 5.437 325 H PHE 40 H PHE 40 3.370 1.803 3.897 326 HA PHE 40 HA PHE 40 3.288 4.035 3.539 327 HB2 PHE 40 HB2 PHE 40 0.935 4.939 3.229 328 HB3 PHE 40 HB3 PHE 40 1.395 3.561 2.250 329 HD1 PHE 40 HD1 PHE 40 -0.546 4.537 5.271 330 HD2 PHE 40 HD2 PHE 40 0.099 1.635 2.224 331 HE1 PHE 40 HE1 PHE 40 -2.599 3.367 5.955 332 HE2 PHE 40 HE2 PHE 40 -1.949 0.457 2.910 333 HZ PHE 40 HZ PHE 40 -3.303 1.323 4.777 334 HA PRO 41 HA PRO 41 2.937 4.774 8.158 335 HB2 PRO 41 HB2 PRO 41 5.422 5.925 8.393 336 HB3 PRO 41 HB3 PRO 41 5.087 4.203 8.596 337 HG2 PRO 41 HG2 PRO 41 6.153 5.656 6.211 338 HG3 PRO 41 HG3 PRO 41 6.644 4.089 6.884 339 HD2 PRO 41 HD2 PRO 41 5.069 4.268 4.715 340 HD3 PRO 41 HD3 PRO 41 4.860 2.976 5.915 341 H HIS 42 H HIS 42 4.472 7.064 5.865 342 HA HIS 42 HA HIS 42 3.327 9.261 7.440 343 HB2 HIS 42 HB2 HIS 42 5.770 9.308 6.952 344 HB3 HIS 42 HB3 HIS 42 5.396 9.402 5.234 345 HD1 HIS 42 HD1 HIS 42 5.372 11.723 4.328 346 HD2 HIS 42 HD2 HIS 42 4.511 11.625 8.398 347 HE1 HIS 42 HE1 HIS 42 5.078 14.120 5.020 348 HE2 HIS 42 HE2 HIS 42 4.493 14.039 7.469 349 H ILE 43 H ILE 43 2.531 7.446 4.830 350 HA ILE 43 HA ILE 43 1.275 9.699 3.415 351 HB ILE 43 HB ILE 43 1.240 8.087 1.431 352 HG12 ILE 43 HG12 ILE 43 3.379 6.736 3.082 353 HG13 ILE 43 HG13 ILE 43 1.772 6.079 2.800 354 HG21 ILE 43 HG21 ILE 43 2.696 10.033 1.546 355 HG22 ILE 43 HG22 ILE 43 3.532 8.676 0.791 356 HG23 ILE 43 HG23 ILE 43 3.883 9.109 2.464 357 HD11 ILE 43 HD11 ILE 43 3.830 6.641 0.682 358 HD12 ILE 43 HD12 ILE 43 2.231 5.943 0.422 359 HD13 ILE 43 HD13 ILE 43 3.440 5.059 1.356 360 H GLY 44 H GLY 44 0.383 7.813 5.667 361 HA2 GLY 44 HA2 GLY 44 -1.585 6.053 4.704 362 HA3 GLY 44 HA3 GLY 44 -1.490 6.687 6.336 363 H SER 45 H SER 45 -1.676 9.428 4.646 364 HA SER 45 HA SER 45 -4.574 9.542 4.880 365 HB2 SER 45 HB2 SER 45 -3.257 11.392 5.828 366 HB3 SER 45 HB3 SER 45 -2.581 11.731 4.236 367 HG SER 45 HG SER 45 -5.038 11.831 3.716 368 H SER 46 H SER 46 -2.496 8.565 2.554 369 HA SER 46 HA SER 46 -3.861 9.862 0.325 370 HB2 SER 46 HB2 SER 46 -1.558 7.892 0.298 371 HB3 SER 46 HB3 SER 46 -2.167 8.800 -1.087 372 HG SER 46 HG SER 46 -1.115 9.973 1.276 373 H ASP 47 H ASP 47 -5.592 8.988 -0.549 374 HA ASP 47 HA ASP 47 -6.295 6.226 0.013 375 HB2 ASP 47 HB2 ASP 47 -7.750 8.260 -1.695 376 HB3 ASP 47 HB3 ASP 47 -8.389 6.721 -1.134 377 H ILE 48 H ILE 48 -7.024 4.822 -1.837 378 HA ILE 48 HA ILE 48 -4.933 4.689 -3.780 379 HB ILE 48 HB ILE 48 -5.961 2.661 -2.852 380 HG12 ILE 48 HG12 ILE 48 -6.399 2.900 -5.837 381 HG13 ILE 48 HG13 ILE 48 -4.843 2.615 -5.070 382 HG21 ILE 48 HG21 ILE 48 -8.184 1.946 -3.592 383 HG22 ILE 48 HG22 ILE 48 -8.402 3.495 -4.408 384 HG23 ILE 48 HG23 ILE 48 -8.249 3.438 -2.652 385 HD11 ILE 48 HD11 ILE 48 -7.222 0.781 -4.939 386 HD12 ILE 48 HD12 ILE 48 -5.649 0.494 -4.197 387 HD13 ILE 48 HD13 ILE 48 -5.795 0.561 -5.953 388 H ARG 49 H ARG 49 -8.033 6.145 -3.652 389 HA ARG 49 HA ARG 49 -8.404 6.398 -6.484 390 HB2 ARG 49 HB2 ARG 49 -10.175 8.053 -5.833 391 HB3 ARG 49 HB3 ARG 49 -10.368 6.459 -5.121 392 HG2 ARG 49 HG2 ARG 49 -10.844 7.864 -3.357 393 HG3 ARG 49 HG3 ARG 49 -9.146 7.473 -3.082 394 HD2 ARG 49 HD2 ARG 49 -8.575 9.610 -4.287 395 HD3 ARG 49 HD3 ARG 49 -10.294 10.002 -4.253 396 HE ARG 49 HE ARG 49 -8.636 9.623 -1.839 397 HH11 ARG 49 HH11 ARG 49 -11.305 11.159 -3.520 398 HH12 ARG 49 HH12 ARG 49 -11.682 12.219 -2.189 399 HH21 ARG 49 HH21 ARG 49 -9.142 10.973 -0.106 400 HH22 ARG 49 HH22 ARG 49 -10.456 12.109 -0.242 401 H GLN 50 H GLN 50 -6.328 7.826 -4.294 402 HA GLN 50 HA GLN 50 -5.608 9.842 -6.264 403 HB2 GLN 50 HB2 GLN 50 -7.050 10.975 -4.591 404 HB3 GLN 50 HB3 GLN 50 -5.929 10.482 -3.331 405 HG2 GLN 50 HG2 GLN 50 -5.605 12.798 -4.019 406 HG3 GLN 50 HG3 GLN 50 -4.176 11.816 -4.308 407 HE21 GLN 50 HE21 GLN 50 -3.560 11.359 -6.402 408 HE22 GLN 50 HE22 GLN 50 -4.201 12.202 -7.770 409 H LEU 51 H LEU 51 -4.090 8.017 -6.505 410 HA LEU 51 HA LEU 51 -2.144 7.644 -4.408 411 HB2 LEU 51 HB2 LEU 51 -3.012 5.847 -6.011 412 HB3 LEU 51 HB3 LEU 51 -1.983 6.582 -7.223 413 HG LEU 51 HG LEU 51 -0.683 5.825 -4.664 414 HD11 LEU 51 HD11 LEU 51 -1.507 3.783 -6.727 415 HD12 LEU 51 HD12 LEU 51 -2.183 3.925 -5.104 416 HD13 LEU 51 HD13 LEU 51 -0.485 3.498 -5.319 417 HD21 LEU 51 HD21 LEU 51 1.099 5.143 -6.222 418 HD22 LEU 51 HD22 LEU 51 0.617 6.823 -6.445 419 HD23 LEU 51 HD23 LEU 51 0.062 5.591 -7.577 420 H LYS 52 H LYS 52 0.047 8.223 -4.542 421 HA LYS 52 HA LYS 52 0.396 10.661 -6.137 422 HB2 LYS 52 HB2 LYS 52 1.576 9.879 -3.473 423 HB3 LYS 52 HB3 LYS 52 1.945 11.374 -4.331 424 HG2 LYS 52 HG2 LYS 52 -0.387 12.051 -4.179 425 HG3 LYS 52 HG3 LYS 52 -0.791 10.534 -3.378 426 HD2 LYS 52 HD2 LYS 52 0.705 11.150 -1.519 427 HD3 LYS 52 HD3 LYS 52 1.033 12.693 -2.317 428 HE2 LYS 52 HE2 LYS 52 -1.396 13.191 -2.237 429 HE3 LYS 52 HE3 LYS 52 -1.637 11.700 -1.328 430 HZ1 LYS 52 HZ1 LYS 52 -1.532 13.588 0.143 431 HZ2 LYS 52 HZ2 LYS 52 -0.008 14.029 -0.466 432 HZ3 LYS 52 HZ3 LYS 52 -0.190 12.584 0.408 433 H THR 53 H THR 53 2.889 11.243 -6.207 434 HA THR 53 HA THR 53 4.021 9.185 -7.895 435 HB THR 53 HB THR 53 5.363 11.801 -7.254 436 HG1 THR 53 HG1 THR 53 2.860 11.464 -8.270 437 HG21 THR 53 HG21 THR 53 6.046 11.671 -9.597 438 HG22 THR 53 HG22 THR 53 5.092 10.204 -9.807 439 HG23 THR 53 HG23 THR 53 6.500 10.194 -8.746 440 H SER 54 H SER 54 6.785 9.801 -7.470 441 HA SER 54 HA SER 54 7.353 7.696 -5.714 442 HB2 SER 54 HB2 SER 54 9.768 8.622 -6.131 443 HB3 SER 54 HB3 SER 54 8.844 7.918 -7.459 444 HG SER 54 HG SER 54 9.874 10.314 -7.363 445 H HIS 55 H HIS 55 6.418 10.637 -4.649 446 HA HIS 55 HA HIS 55 8.472 11.168 -2.708 447 HB2 HIS 55 HB2 HIS 55 5.602 12.136 -2.799 448 HB3 HIS 55 HB3 HIS 55 6.843 12.736 -1.704 449 HD1 HIS 55 HD1 HIS 55 8.426 14.505 -2.579 450 HD2 HIS 55 HD2 HIS 55 5.995 12.855 -5.524 451 HE1 HIS 55 HE1 HIS 55 8.742 15.957 -4.612 452 HE2 HIS 55 HE2 HIS 55 7.097 15.067 -6.305 453 H LEU 56 H LEU 56 5.599 9.260 -2.903 454 HA LEU 56 HA LEU 56 5.323 8.743 -0.122 455 HB2 LEU 56 HB2 LEU 56 3.843 6.881 -0.848 456 HB3 LEU 56 HB3 LEU 56 3.410 8.448 -1.492 457 HG LEU 56 HG LEU 56 4.615 7.723 -3.633 458 HD11 LEU 56 HD11 LEU 56 4.768 5.333 -4.030 459 HD12 LEU 56 HD12 LEU 56 4.256 5.005 -2.373 460 HD13 LEU 56 HD13 LEU 56 5.802 5.796 -2.678 461 HD21 LEU 56 HD21 LEU 56 2.636 6.542 -4.421 462 HD22 LEU 56 HD22 LEU 56 2.198 7.921 -3.414 463 HD23 LEU 56 HD23 LEU 56 2.116 6.285 -2.756 464 H LEU 57 H LEU 57 7.541 7.654 -2.427 465 HA LEU 57 HA LEU 57 8.045 5.072 -1.246 466 HB2 LEU 57 HB2 LEU 57 8.393 5.454 -3.643 467 HB3 LEU 57 HB3 LEU 57 9.610 6.663 -3.286 468 HG LEU 57 HG LEU 57 11.024 4.908 -2.266 469 HD11 LEU 57 HD11 LEU 57 10.465 2.556 -2.629 470 HD12 LEU 57 HD12 LEU 57 8.899 3.029 -3.290 471 HD13 LEU 57 HD13 LEU 57 9.277 3.351 -1.597 472 HD21 LEU 57 HD21 LEU 57 11.362 5.540 -4.583 473 HD22 LEU 57 HD22 LEU 57 10.137 4.380 -5.099 474 HD23 LEU 57 HD23 LEU 57 11.641 3.810 -4.375 475 H ALA 58 H ALA 58 9.049 8.295 -0.713 476 HA ALA 58 HA ALA 58 11.643 7.965 0.242 477 HB1 ALA 58 HB1 ALA 58 10.661 10.150 -0.261 478 HB2 ALA 58 HB2 ALA 58 11.378 10.102 1.349 479 HB3 ALA 58 HB3 ALA 58 9.627 10.008 1.162 480 HA PRO 59 HA PRO 59 9.779 7.400 4.741 481 HB2 PRO 59 HB2 PRO 59 7.161 6.201 4.039 482 HB3 PRO 59 HB3 PRO 59 7.585 7.316 5.337 483 HG2 PRO 59 HG2 PRO 59 6.231 8.165 3.207 484 HG3 PRO 59 HG3 PRO 59 7.480 9.179 3.956 485 HD2 PRO 59 HD2 PRO 59 7.620 7.521 1.468 486 HD3 PRO 59 HD3 PRO 59 8.286 9.138 1.784 487 H ILE 60 H ILE 60 9.041 5.287 2.038 488 HA ILE 60 HA ILE 60 9.193 2.837 3.514 489 HB ILE 60 HB ILE 60 9.520 3.276 0.535 490 HG12 ILE 60 HG12 ILE 60 7.387 4.178 1.315 491 HG13 ILE 60 HG13 ILE 60 7.123 2.709 0.382 492 HG21 ILE 60 HG21 ILE 60 8.834 0.796 2.111 493 HG22 ILE 60 HG22 ILE 60 10.324 1.097 1.215 494 HG23 ILE 60 HG23 ILE 60 8.795 0.924 0.353 495 HD11 ILE 60 HD11 ILE 60 5.685 2.794 2.336 496 HD12 ILE 60 HD12 ILE 60 7.097 2.919 3.385 497 HD13 ILE 60 HD13 ILE 60 6.822 1.451 2.448 498 H LYS 61 H LYS 61 11.453 5.004 2.111 499 HA LYS 61 HA LYS 61 13.614 3.245 1.636 500 HB2 LYS 61 HB2 LYS 61 13.181 6.103 1.639 501 HB3 LYS 61 HB3 LYS 61 14.730 5.707 2.371 502 HG2 LYS 61 HG2 LYS 61 13.823 4.734 -0.328 503 HG3 LYS 61 HG3 LYS 61 14.866 6.132 -0.060 504 HD2 LYS 61 HD2 LYS 61 16.540 4.720 0.978 505 HD3 LYS 61 HD3 LYS 61 15.487 3.312 0.821 506 HE2 LYS 61 HE2 LYS 61 15.605 3.441 -1.588 507 HE3 LYS 61 HE3 LYS 61 16.536 4.937 -1.494 508 HZ1 LYS 61 HZ1 LYS 61 17.899 2.928 -1.923 509 HZ2 LYS 61 HZ2 LYS 61 17.463 2.334 -0.394 510 HZ3 LYS 61 HZ3 LYS 61 18.359 3.766 -0.524 511 H GLU 62 H GLU 62 12.333 4.601 4.538 512 HA GLU 62 HA GLU 62 14.505 4.519 6.257 513 HB2 GLU 62 HB2 GLU 62 12.303 5.428 6.872 514 HB3 GLU 62 HB3 GLU 62 11.633 3.803 6.874 515 HG2 GLU 62 HG2 GLU 62 13.118 3.189 8.711 516 HG3 GLU 62 HG3 GLU 62 13.787 4.820 8.713 517 H VAL 63 H VAL 63 12.309 1.885 5.307 518 HA VAL 63 HA VAL 63 13.594 0.013 7.065 519 HB VAL 63 HB VAL 63 11.165 -0.118 6.388 520 HG11 VAL 63 HG11 VAL 63 12.310 -1.230 3.833 521 HG12 VAL 63 HG12 VAL 63 11.372 0.255 4.006 522 HG13 VAL 63 HG13 VAL 63 10.616 -1.309 4.317 523 HG21 VAL 63 HG21 VAL 63 12.876 -2.571 6.008 524 HG22 VAL 63 HG22 VAL 63 11.140 -2.583 6.314 525 HG23 VAL 63 HG23 VAL 63 12.245 -1.952 7.535 526 H ASP 64 H ASP 64 13.854 0.926 3.709 527 HA ASP 64 HA ASP 64 15.437 -1.185 2.746 528 HB2 ASP 64 HB2 ASP 64 14.464 0.421 1.222 529 HB3 ASP 64 HB3 ASP 64 15.336 1.744 1.982 530 H THR 65 H THR 65 16.354 1.932 4.187 531 HA THR 65 HA THR 65 19.148 1.329 4.226 532 HB THR 65 HB THR 65 17.665 3.431 5.821 533 HG1 THR 65 HG1 THR 65 18.357 3.220 3.123 534 HG21 THR 65 HG21 THR 65 20.542 3.257 4.903 535 HG22 THR 65 HG22 THR 65 19.971 3.089 6.564 536 HG23 THR 65 HG23 THR 65 19.815 4.633 5.726 537 H SER 66 H SER 66 16.514 0.467 6.222 538 HA SER 66 HA SER 66 18.065 0.112 8.631 539 HB2 SER 66 HB2 SER 66 15.593 0.670 8.595 540 HB3 SER 66 HB3 SER 66 15.305 -0.982 8.052 541 HG SER 66 HG SER 66 16.414 -1.669 9.986 542 H GLY 67 H GLY 67 18.237 -1.433 5.835 543 HA2 GLY 67 HA2 GLY 67 19.690 -3.290 5.606 544 HA3 GLY 67 HA3 GLY 67 19.171 -3.858 7.184 545 H LYS 68 H LYS 68 16.489 -2.895 5.463 546 HA LYS 68 HA LYS 68 16.089 -5.613 4.410 547 HB2 LYS 68 HB2 LYS 68 14.387 -3.957 6.161 548 HB3 LYS 68 HB3 LYS 68 13.544 -4.745 4.837 549 HG2 LYS 68 HG2 LYS 68 13.389 -6.502 6.179 550 HG3 LYS 68 HG3 LYS 68 15.099 -6.767 5.858 551 HD2 LYS 68 HD2 LYS 68 14.137 -5.001 8.100 552 HD3 LYS 68 HD3 LYS 68 14.373 -6.738 8.300 553 HE2 LYS 68 HE2 LYS 68 16.714 -6.483 7.610 554 HE3 LYS 68 HE3 LYS 68 16.470 -4.745 7.453 555 HZ1 LYS 68 HZ1 LYS 68 16.193 -6.299 9.966 556 HZ2 LYS 68 HZ2 LYS 68 15.995 -4.622 9.812 557 HZ3 LYS 68 HZ3 LYS 68 17.517 -5.328 9.552 558 H HIS 69 H HIS 69 17.088 -4.535 2.512 559 HA HIS 69 HA HIS 69 15.610 -2.476 1.169 560 HB2 HIS 69 HB2 HIS 69 17.328 -2.388 -0.367 561 HB3 HIS 69 HB3 HIS 69 18.166 -3.036 1.035 562 HD1 HIS 69 HD1 HIS 69 17.433 -3.699 -2.473 563 HD2 HIS 69 HD2 HIS 69 18.686 -5.900 0.817 564 HE1 HIS 69 HE1 HIS 69 18.367 -5.834 -3.410 565 HE2 HIS 69 HE2 HIS 69 18.945 -7.226 -1.388 566 H ASP 70 H ASP 70 15.494 -5.915 1.226 567 HA ASP 70 HA ASP 70 14.357 -6.311 -1.358 568 HB2 ASP 70 HB2 ASP 70 14.458 -8.026 1.119 569 HB3 ASP 70 HB3 ASP 70 13.594 -8.536 -0.326 570 H VAL 71 H VAL 71 12.954 -6.189 1.907 571 HA VAL 71 HA VAL 71 10.292 -6.516 1.063 572 HB VAL 71 HB VAL 71 11.041 -6.832 3.411 573 HG11 VAL 71 HG11 VAL 71 12.472 -4.904 3.671 574 HG12 VAL 71 HG12 VAL 71 11.200 -4.883 4.893 575 HG13 VAL 71 HG13 VAL 71 11.092 -3.823 3.489 576 HG21 VAL 71 HG21 VAL 71 9.036 -5.861 4.464 577 HG22 VAL 71 HG22 VAL 71 8.683 -6.670 2.936 578 HG23 VAL 71 HG23 VAL 71 8.759 -4.908 3.006 579 H ALA 72 H ALA 72 12.324 -3.664 1.375 580 HA ALA 72 HA ALA 72 10.382 -1.673 1.093 581 HB1 ALA 72 HB1 ALA 72 12.709 -1.213 1.689 582 HB2 ALA 72 HB2 ALA 72 12.191 -0.243 0.310 583 HB3 ALA 72 HB3 ALA 72 13.213 -1.657 0.057 584 H GLN 73 H GLN 73 12.133 -3.554 -1.343 585 HA GLN 73 HA GLN 73 10.906 -2.314 -3.593 586 HB2 GLN 73 HB2 GLN 73 12.362 -4.930 -3.203 587 HB3 GLN 73 HB3 GLN 73 11.768 -4.385 -4.757 588 HG2 GLN 73 HG2 GLN 73 13.387 -2.405 -3.360 589 HG3 GLN 73 HG3 GLN 73 14.244 -3.897 -3.750 590 HE21 GLN 73 HE21 GLN 73 12.552 -1.143 -5.041 591 HE22 GLN 73 HE22 GLN 73 13.100 -1.310 -6.673 592 H ARG 74 H ARG 74 10.342 -5.319 -1.807 593 HA ARG 74 HA ARG 74 8.236 -6.315 -3.335 594 HB2 ARG 74 HB2 ARG 74 8.671 -6.582 -0.356 595 HB3 ARG 74 HB3 ARG 74 7.586 -7.580 -1.313 596 HG2 ARG 74 HG2 ARG 74 10.580 -7.427 -1.585 597 HG3 ARG 74 HG3 ARG 74 9.650 -8.755 -0.887 598 HD2 ARG 74 HD2 ARG 74 8.592 -9.160 -3.045 599 HD3 ARG 74 HD3 ARG 74 9.480 -7.809 -3.748 600 HE ARG 74 HE ARG 74 11.525 -9.215 -2.998 601 HH11 ARG 74 HH11 ARG 74 8.505 -10.438 -4.293 602 HH12 ARG 74 HH12 ARG 74 9.231 -11.885 -4.940 603 HH21 ARG 74 HH21 ARG 74 12.468 -11.094 -3.838 604 HH22 ARG 74 HH22 ARG 74 11.483 -12.256 -4.670 605 H LEU 75 H LEU 75 8.209 -3.929 -0.737 606 HA LEU 75 HA LEU 75 5.394 -3.694 -0.564 607 HB2 LEU 75 HB2 LEU 75 7.605 -1.751 0.093 608 HB3 LEU 75 HB3 LEU 75 5.915 -1.430 0.421 609 HG LEU 75 HG LEU 75 7.519 -3.696 1.612 610 HD11 LEU 75 HD11 LEU 75 8.226 -1.555 2.500 611 HD12 LEU 75 HD12 LEU 75 7.292 -2.436 3.709 612 HD13 LEU 75 HD13 LEU 75 6.550 -1.107 2.816 613 HD21 LEU 75 HD21 LEU 75 5.573 -4.052 3.030 614 HD22 LEU 75 HD22 LEU 75 5.156 -4.252 1.328 615 HD23 LEU 75 HD23 LEU 75 4.705 -2.775 2.180 616 H GLN 76 H GLN 76 7.804 -1.697 -2.288 617 HA GLN 76 HA GLN 76 5.904 0.082 -3.367 618 HB2 GLN 76 HB2 GLN 76 7.733 0.805 -4.874 619 HB3 GLN 76 HB3 GLN 76 8.202 0.760 -3.185 620 HG2 GLN 76 HG2 GLN 76 9.330 -1.376 -3.580 621 HG3 GLN 76 HG3 GLN 76 8.867 -1.295 -5.278 622 HE21 GLN 76 HE21 GLN 76 10.895 0.005 -2.793 623 HE22 GLN 76 HE22 GLN 76 11.970 0.871 -3.834 624 H GLN 77 H GLN 77 7.424 -2.809 -4.745 625 HA GLN 77 HA GLN 77 6.336 -2.427 -7.331 626 HB2 GLN 77 HB2 GLN 77 7.475 -4.868 -5.983 627 HB3 GLN 77 HB3 GLN 77 6.970 -4.845 -7.668 628 HG2 GLN 77 HG2 GLN 77 8.567 -2.992 -8.065 629 HG3 GLN 77 HG3 GLN 77 9.127 -3.172 -6.405 630 HE21 GLN 77 HE21 GLN 77 8.971 -4.639 -9.552 631 HE22 GLN 77 HE22 GLN 77 10.242 -5.790 -9.299 632 H ARG 78 H ARG 78 5.129 -4.111 -4.476 633 HA ARG 78 HA ARG 78 3.017 -5.432 -5.865 634 HB2 ARG 78 HB2 ARG 78 3.527 -4.887 -2.954 635 HB3 ARG 78 HB3 ARG 78 2.019 -5.611 -3.493 636 HG2 ARG 78 HG2 ARG 78 3.314 -7.431 -4.554 637 HG3 ARG 78 HG3 ARG 78 4.789 -6.724 -3.894 638 HD2 ARG 78 HD2 ARG 78 2.443 -7.646 -2.239 639 HD3 ARG 78 HD3 ARG 78 3.888 -8.606 -2.546 640 HE ARG 78 HE ARG 78 4.754 -6.189 -1.507 641 HH11 ARG 78 HH11 ARG 78 2.771 -8.892 -0.467 642 HH12 ARG 78 HH12 ARG 78 3.171 -8.703 1.213 643 HH21 ARG 78 HH21 ARG 78 5.294 -5.949 0.711 644 HH22 ARG 78 HH22 ARG 78 4.616 -7.030 1.891 645 H VAL 79 H VAL 79 3.456 -2.226 -4.688 646 HA VAL 79 HA VAL 79 0.782 -1.431 -4.373 647 HB VAL 79 HB VAL 79 3.153 0.218 -5.281 648 HG11 VAL 79 HG11 VAL 79 1.840 2.169 -4.566 649 HG12 VAL 79 HG12 VAL 79 0.457 1.119 -4.263 650 HG13 VAL 79 HG13 VAL 79 1.069 1.316 -5.904 651 HG21 VAL 79 HG21 VAL 79 3.460 -0.785 -3.086 652 HG22 VAL 79 HG22 VAL 79 1.900 -0.149 -2.562 653 HG23 VAL 79 HG23 VAL 79 3.220 0.958 -2.941 654 H THR 80 H THR 80 2.770 -1.845 -7.239 655 HA THR 80 HA THR 80 1.106 -0.459 -9.043 656 HB THR 80 HB THR 80 2.238 -1.638 -10.838 657 HG1 THR 80 HG1 THR 80 3.572 -3.227 -8.885 658 HG21 THR 80 HG21 THR 80 3.462 0.173 -9.779 659 HG22 THR 80 HG22 THR 80 4.575 -1.103 -10.275 660 HG23 THR 80 HG23 THR 80 4.117 -0.942 -8.580 661 H ALA 81 H ALA 81 1.110 -3.800 -7.905 662 HA ALA 81 HA ALA 81 -0.953 -4.718 -9.635 663 HB1 ALA 81 HB1 ALA 81 -0.100 -5.815 -6.956 664 HB2 ALA 81 HB2 ALA 81 0.626 -6.238 -8.507 665 HB3 ALA 81 HB3 ALA 81 -1.053 -6.660 -8.174 666 H ILE 82 H ILE 82 -0.864 -3.410 -6.368 667 HA ILE 82 HA ILE 82 -3.563 -3.652 -5.684 668 HB ILE 82 HB ILE 82 -1.634 -1.440 -4.942 669 HG12 ILE 82 HG12 ILE 82 -2.358 -3.978 -3.463 670 HG13 ILE 82 HG13 ILE 82 -0.863 -3.723 -4.356 671 HG21 ILE 82 HG21 ILE 82 -3.100 -1.091 -2.998 672 HG22 ILE 82 HG22 ILE 82 -4.223 -2.285 -3.647 673 HG23 ILE 82 HG23 ILE 82 -3.934 -0.781 -4.521 674 HD11 ILE 82 HD11 ILE 82 -1.754 -2.165 -1.942 675 HD12 ILE 82 HD12 ILE 82 -0.246 -1.932 -2.827 676 HD13 ILE 82 HD13 ILE 82 -0.541 -3.442 -1.965 677 H MET 83 H MET 83 -1.825 -0.997 -7.225 678 HA MET 83 HA MET 83 -4.108 0.667 -7.548 679 HB2 MET 83 HB2 MET 83 -1.720 1.425 -7.410 680 HB3 MET 83 HB3 MET 83 -1.479 0.792 -9.033 681 HG2 MET 83 HG2 MET 83 -3.205 2.329 -9.862 682 HG3 MET 83 HG3 MET 83 -3.372 2.989 -8.235 683 HE1 MET 83 HE1 MET 83 -1.605 5.963 -9.868 684 HE2 MET 83 HE2 MET 83 -2.879 5.424 -8.774 685 HE3 MET 83 HE3 MET 83 -2.930 4.969 -10.478 686 H ARG 84 H ARG 84 -2.700 -1.874 -9.427 687 HA ARG 84 HA ARG 84 -3.479 -1.130 -12.001 688 HB2 ARG 84 HB2 ARG 84 -1.997 -3.127 -11.082 689 HB3 ARG 84 HB3 ARG 84 -3.507 -4.018 -11.220 690 HG2 ARG 84 HG2 ARG 84 -2.301 -2.466 -13.497 691 HG3 ARG 84 HG3 ARG 84 -1.958 -4.170 -13.193 692 HD2 ARG 84 HD2 ARG 84 -4.152 -4.813 -13.656 693 HD3 ARG 84 HD3 ARG 84 -4.774 -3.178 -13.438 694 HE ARG 84 HE ARG 84 -3.049 -3.006 -15.571 695 HH11 ARG 84 HH11 ARG 84 -5.877 -4.955 -14.820 696 HH12 ARG 84 HH12 ARG 84 -6.445 -4.967 -16.467 697 HH21 ARG 84 HH21 ARG 84 -3.816 -3.034 -17.726 698 HH22 ARG 84 HH22 ARG 84 -5.289 -3.887 -18.100 699 H TYR 85 H TYR 85 -5.253 -2.915 -9.503 700 HA TYR 85 HA TYR 85 -7.457 -3.609 -11.125 701 HB2 TYR 85 HB2 TYR 85 -6.970 -4.689 -8.959 702 HB3 TYR 85 HB3 TYR 85 -7.378 -3.192 -8.129 703 HD1 TYR 85 HD1 TYR 85 -8.904 -5.514 -10.632 704 HD2 TYR 85 HD2 TYR 85 -9.488 -3.059 -7.209 705 HE1 TYR 85 HE1 TYR 85 -11.251 -6.237 -10.521 706 HE2 TYR 85 HE2 TYR 85 -11.834 -3.775 -7.089 707 HH TYR 85 HH TYR 85 -13.514 -4.785 -8.262 708 H ALA 86 H ALA 86 -6.674 -0.732 -9.281 709 HA ALA 86 HA ALA 86 -9.247 0.489 -9.535 710 HB1 ALA 86 HB1 ALA 86 -7.675 1.102 -7.748 711 HB2 ALA 86 HB2 ALA 86 -8.163 2.501 -8.702 712 HB3 ALA 86 HB3 ALA 86 -6.576 1.771 -8.953 713 H VAL 87 H VAL 87 -6.206 0.651 -11.315 714 HA VAL 87 HA VAL 87 -7.034 2.652 -13.157 715 HB VAL 87 HB VAL 87 -4.915 0.514 -13.502 716 HG11 VAL 87 HG11 VAL 87 -5.587 1.481 -15.634 717 HG12 VAL 87 HG12 VAL 87 -3.966 2.008 -15.189 718 HG13 VAL 87 HG13 VAL 87 -5.333 3.103 -14.991 719 HG21 VAL 87 HG21 VAL 87 -3.341 2.277 -12.832 720 HG22 VAL 87 HG22 VAL 87 -4.492 1.903 -11.549 721 HG23 VAL 87 HG23 VAL 87 -4.698 3.359 -12.520 722 H GLN 88 H GLN 88 -7.173 -0.871 -13.137 723 HA GLN 88 HA GLN 88 -8.049 -1.318 -15.748 724 HB2 GLN 88 HB2 GLN 88 -7.304 -3.082 -14.193 725 HB3 GLN 88 HB3 GLN 88 -8.756 -2.847 -13.235 726 HG2 GLN 88 HG2 GLN 88 -9.174 -3.476 -16.086 727 HG3 GLN 88 HG3 GLN 88 -8.475 -4.754 -15.096 728 HE21 GLN 88 HE21 GLN 88 -11.274 -2.813 -15.704 729 HE22 GLN 88 HE22 GLN 88 -12.368 -3.713 -14.704 730 H ASN 89 H ASN 89 -9.886 -0.508 -12.834 731 HA ASN 89 HA ASN 89 -12.397 -0.580 -14.283 732 HB2 ASN 89 HB2 ASN 89 -11.661 -0.025 -11.424 733 HB3 ASN 89 HB3 ASN 89 -13.275 0.340 -12.029 734 HD21 ASN 89 HD21 ASN 89 -11.023 -2.158 -11.190 735 HD22 ASN 89 HD22 ASN 89 -12.143 -3.475 -11.284 736 H ASP 90 H ASP 90 -9.957 1.471 -14.304 737 HA ASP 90 HA ASP 90 -9.641 3.586 -15.029 738 HB2 ASP 90 HB2 ASP 90 -11.398 2.628 -16.689 739 HB3 ASP 90 HB3 ASP 90 -12.517 3.718 -15.875 740 H TYR 91 H TYR 91 -10.432 3.277 -12.286 741 HA TYR 91 HA TYR 91 -12.309 5.242 -11.525 742 HB2 TYR 91 HB2 TYR 91 -9.968 4.036 -10.048 743 HB3 TYR 91 HB3 TYR 91 -11.059 5.201 -9.310 744 HD1 TYR 91 HD1 TYR 91 -13.666 4.512 -9.754 745 HD2 TYR 91 HD2 TYR 91 -10.365 1.841 -9.504 746 HE1 TYR 91 HE1 TYR 91 -15.192 2.701 -9.103 747 HE2 TYR 91 HE2 TYR 91 -11.883 0.017 -8.858 748 HH TYR 91 HH TYR 91 -15.291 0.294 -9.114 749 H ILE 92 H ILE 92 -8.905 5.402 -12.310 750 HA ILE 92 HA ILE 92 -9.003 8.318 -11.942 751 HB ILE 92 HB ILE 92 -6.547 8.164 -11.287 752 HG12 ILE 92 HG12 ILE 92 -7.366 5.288 -10.820 753 HG13 ILE 92 HG13 ILE 92 -6.124 5.856 -11.931 754 HG21 ILE 92 HG21 ILE 92 -8.255 8.789 -9.703 755 HG22 ILE 92 HG22 ILE 92 -7.093 7.716 -8.923 756 HG23 ILE 92 HG23 ILE 92 -8.666 7.095 -9.426 757 HD11 ILE 92 HD11 ILE 92 -5.156 4.918 -9.913 758 HD12 ILE 92 HD12 ILE 92 -6.047 6.081 -8.932 759 HD13 ILE 92 HD13 ILE 92 -4.799 6.640 -10.044 760 H ASP 93 H ASP 93 -7.629 5.595 -13.689 761 HA ASP 93 HA ASP 93 -6.461 5.400 -15.631 762 HB2 ASP 93 HB2 ASP 93 -8.517 6.443 -16.500 763 HB3 ASP 93 HB3 ASP 93 -7.797 8.028 -16.301 764 H SER 94 H SER 94 -4.895 6.209 -13.691 765 HA SER 94 HA SER 94 -2.895 7.762 -15.086 766 HB2 SER 94 HB2 SER 94 -3.890 8.636 -12.356 767 HB3 SER 94 HB3 SER 94 -2.550 9.341 -13.249 768 HG SER 94 HG SER 94 -4.771 9.286 -14.774 769 H ASN 95 H ASN 95 -0.779 7.385 -14.264 770 HA ASN 95 HA ASN 95 -0.565 5.448 -12.074 771 HB2 ASN 95 HB2 ASN 95 0.593 5.091 -14.840 772 HB3 ASN 95 HB3 ASN 95 1.150 4.182 -13.441 773 HD21 ASN 95 HD21 ASN 95 -0.154 2.599 -12.566 774 HD22 ASN 95 HD22 ASN 95 -1.543 1.985 -13.388 775 HA PRO 96 HA PRO 96 2.820 8.506 -11.552 776 HB2 PRO 96 HB2 PRO 96 2.082 8.635 -8.779 777 HB3 PRO 96 HB3 PRO 96 1.980 9.908 -9.996 778 HG2 PRO 96 HG2 PRO 96 -0.196 8.703 -8.813 779 HG3 PRO 96 HG3 PRO 96 -0.231 9.520 -10.384 780 HD2 PRO 96 HD2 PRO 96 -0.080 6.603 -9.766 781 HD3 PRO 96 HD3 PRO 96 -0.956 7.441 -11.064 782 H ALA 97 H ALA 97 1.888 5.504 -10.299 783 HA ALA 97 HA ALA 97 4.361 5.130 -8.776 784 HB1 ALA 97 HB1 ALA 97 1.960 3.317 -9.046 785 HB2 ALA 97 HB2 ALA 97 2.260 4.436 -7.717 786 HB3 ALA 97 HB3 ALA 97 3.338 3.065 -7.974 787 H SER 98 H SER 98 4.146 5.307 -11.754 788 HA SER 98 HA SER 98 4.616 2.595 -12.662 789 HB2 SER 98 HB2 SER 98 3.292 4.256 -13.995 790 HB3 SER 98 HB3 SER 98 4.777 5.175 -14.232 791 HG SER 98 HG SER 98 4.003 3.467 -15.855 792 H ASP 99 H ASP 99 6.416 5.669 -12.584 793 HA ASP 99 HA ASP 99 8.834 4.367 -13.469 794 HB2 ASP 99 HB2 ASP 99 8.442 6.595 -14.258 795 HB3 ASP 99 HB3 ASP 99 8.239 7.199 -12.618 796 H MET 100 H MET 100 7.481 5.420 -10.427 797 HA MET 100 HA MET 100 9.907 5.491 -8.978 798 HB2 MET 100 HB2 MET 100 8.467 5.413 -6.947 799 HB3 MET 100 HB3 MET 100 8.033 6.673 -8.089 800 HG2 MET 100 HG2 MET 100 6.003 5.815 -7.379 801 HG3 MET 100 HG3 MET 100 6.263 5.052 -8.943 802 HE1 MET 100 HE1 MET 100 6.881 2.909 -4.900 803 HE2 MET 100 HE2 MET 100 6.344 4.582 -5.050 804 HE3 MET 100 HE3 MET 100 7.989 4.140 -5.509 805 H ALA 101 H ALA 101 7.797 2.881 -9.862 806 HA ALA 101 HA ALA 101 9.000 1.040 -7.989 807 HB1 ALA 101 HB1 ALA 101 6.642 0.795 -8.624 808 HB2 ALA 101 HB2 ALA 101 7.580 -0.645 -9.025 809 HB3 ALA 101 HB3 ALA 101 7.130 0.496 -10.292 810 H GLY 102 H GLY 102 11.190 1.207 -8.572 811 HA2 GLY 102 HA2 GLY 102 11.864 0.010 -11.186 812 HA3 GLY 102 HA3 GLY 102 12.851 1.233 -10.395 813 H ALA 103 H ALA 103 13.469 -1.541 -11.262 814 HA ALA 103 HA ALA 103 13.779 -2.976 -8.765 815 HB1 ALA 103 HB1 ALA 103 13.029 -4.162 -10.795 816 HB2 ALA 103 HB2 ALA 103 14.508 -4.840 -10.114 817 HB3 ALA 103 HB3 ALA 103 14.588 -3.812 -11.544 818 H LEU 104 H LEU 104 15.310 -1.950 -7.612 819 HA LEU 104 HA LEU 104 17.872 -1.268 -8.723 820 HB2 LEU 104 HB2 LEU 104 18.502 -0.813 -6.346 821 HB3 LEU 104 HB3 LEU 104 17.121 0.092 -6.928 822 HG LEU 104 HG LEU 104 15.714 -1.772 -5.785 823 HD11 LEU 104 HD11 LEU 104 17.557 -3.294 -5.313 824 HD12 LEU 104 HD12 LEU 104 16.775 -2.761 -3.824 825 HD13 LEU 104 HD13 LEU 104 18.323 -2.066 -4.305 826 HD21 LEU 104 HD21 LEU 104 17.252 0.249 -4.162 827 HD22 LEU 104 HD22 LEU 104 15.735 -0.522 -3.696 828 HD23 LEU 104 HD23 LEU 104 15.784 0.563 -5.085 829 H SER 105 H SER 105 16.488 -4.117 -8.044 830 HA SER 105 HA SER 105 18.800 -5.503 -6.978 831 HB2 SER 105 HB2 SER 105 16.488 -6.152 -6.314 832 HB3 SER 105 HB3 SER 105 16.153 -6.593 -7.985 833 HG SER 105 HG SER 105 17.993 -8.084 -7.748 834 H THR 106 H THR 106 18.526 -4.098 -9.698 835 HA THR 106 HA THR 106 18.829 -6.119 -11.685 836 HB THR 106 HB THR 106 19.901 -4.013 -12.902 837 HG1 THR 106 HG1 THR 106 18.186 -2.550 -11.273 838 HG21 THR 106 HG21 THR 106 17.658 -3.357 -13.602 839 HG22 THR 106 HG22 THR 106 16.963 -4.206 -12.223 840 HG23 THR 106 HG23 THR 106 17.779 -5.113 -13.496 841 H THR 107 H THR 107 20.815 -5.340 -9.212 842 HA THR 107 HA THR 107 23.383 -5.304 -10.394 843 HB THR 107 HB THR 107 24.089 -6.119 -8.069 844 HG1 THR 107 HG1 THR 107 21.918 -7.022 -7.649 845 HG21 THR 107 HG21 THR 107 24.135 -3.767 -8.720 846 HG22 THR 107 HG22 THR 107 23.610 -3.935 -7.046 847 HG23 THR 107 HG23 THR 107 22.428 -3.607 -8.312 848 H LYS 108 H LYS 108 24.445 -6.883 -11.367 849 HA LYS 108 HA LYS 108 25.225 -8.914 -11.983 850 HB2 LYS 108 HB2 LYS 108 23.660 -10.026 -9.647 851 HB3 LYS 108 HB3 LYS 108 24.838 -10.907 -10.602 852 HG2 LYS 108 HG2 LYS 108 25.554 -8.430 -9.071 853 HG3 LYS 108 HG3 LYS 108 25.574 -10.029 -8.334 854 HD2 LYS 108 HD2 LYS 108 27.791 -9.620 -9.013 855 HD3 LYS 108 HD3 LYS 108 27.130 -10.721 -10.221 856 HE2 LYS 108 HE2 LYS 108 26.780 -8.880 -11.752 857 HE3 LYS 108 HE3 LYS 108 27.307 -7.727 -10.529 858 HZ1 LYS 108 HZ1 LYS 108 29.043 -8.230 -12.155 859 HZ2 LYS 108 HZ2 LYS 108 29.013 -9.863 -11.695 860 HZ3 LYS 108 HZ3 LYS 108 29.503 -8.675 -10.585 861 H ALA 109 H ALA 109 24.548 -10.749 -13.197 862 HA ALA 109 HA ALA 109 21.758 -11.311 -13.566 863 HB1 ALA 109 HB1 ALA 109 21.598 -10.592 -15.897 864 HB2 ALA 109 HB2 ALA 109 23.214 -9.892 -15.803 865 HB3 ALA 109 HB3 ALA 109 21.904 -9.221 -14.831 866 H ARG 110 H ARG 110 24.674 -11.360 -15.599 867 HA ARG 110 HA ARG 110 24.690 -14.279 -15.467 868 HB2 ARG 110 HB2 ARG 110 24.055 -12.651 -17.818 869 HB3 ARG 110 HB3 ARG 110 25.357 -13.798 -18.101 870 HG2 ARG 110 HG2 ARG 110 22.731 -14.610 -16.894 871 HG3 ARG 110 HG3 ARG 110 23.010 -14.577 -18.637 872 HD2 ARG 110 HD2 ARG 110 24.907 -16.112 -18.343 873 HD3 ARG 110 HD3 ARG 110 24.583 -16.167 -16.612 874 HE ARG 110 HE ARG 110 22.763 -17.543 -17.005 875 HH11 ARG 110 HH11 ARG 110 23.993 -16.295 -20.044 876 HH12 ARG 110 HH12 ARG 110 23.212 -17.511 -21.012 877 HH21 ARG 110 HH21 ARG 110 21.722 -19.144 -18.273 878 HH22 ARG 110 HH22 ARG 110 21.862 -19.088 -20.013 879 H HIS 111 H HIS 111 26.656 -15.011 -15.088 880 HA HIS 111 HA HIS 111 28.971 -13.341 -15.849 881 HB2 HIS 111 HB2 HIS 111 28.404 -13.616 -13.332 882 HB3 HIS 111 HB3 HIS 111 28.958 -15.274 -13.534 883 HD1 HIS 111 HD1 HIS 111 31.373 -15.616 -13.059 884 HD2 HIS 111 HD2 HIS 111 30.528 -11.701 -14.179 885 HE1 HIS 111 HE1 HIS 111 33.533 -14.350 -12.793 886 HE2 HIS 111 HE2 HIS 111 32.938 -11.946 -13.274 887 H TYR 112 H TYR 112 27.765 -15.139 -17.532 888 HA TYR 112 HA TYR 112 28.103 -16.891 -18.914 889 HB2 TYR 112 HB2 TYR 112 30.750 -17.057 -17.476 890 HB3 TYR 112 HB3 TYR 112 30.296 -18.161 -18.768 891 HD1 TYR 112 HD1 TYR 112 30.076 -17.361 -21.064 892 HD2 TYR 112 HD2 TYR 112 31.336 -14.763 -17.941 893 HE1 TYR 112 HE1 TYR 112 30.880 -15.750 -22.738 894 HE2 TYR 112 HE2 TYR 112 32.139 -13.145 -19.605 895 HH TYR 112 HH TYR 112 31.341 -13.342 -22.905 896 HA PRO 113 HA PRO 113 26.382 -20.237 -16.570 897 HB2 PRO 113 HB2 PRO 113 27.038 -21.940 -18.881 898 HB3 PRO 113 HB3 PRO 113 25.465 -21.579 -18.163 899 HG2 PRO 113 HG2 PRO 113 26.219 -20.579 -20.528 900 HG3 PRO 113 HG3 PRO 113 25.184 -19.670 -19.418 901 HD2 PRO 113 HD2 PRO 113 28.102 -19.357 -19.992 902 HD3 PRO 113 HD3 PRO 113 26.876 -18.116 -19.666 903 H LEU 114 H LEU 114 27.553 -21.012 -15.010 904 HA LEU 114 HA LEU 114 30.248 -22.011 -15.491 905 HB2 LEU 114 HB2 LEU 114 30.377 -22.061 -12.990 906 HB3 LEU 114 HB3 LEU 114 30.121 -20.478 -13.691 907 HG LEU 114 HG LEU 114 27.592 -20.982 -13.184 908 HD11 LEU 114 HD11 LEU 114 27.272 -22.312 -11.170 909 HD12 LEU 114 HD12 LEU 114 28.983 -22.745 -11.172 910 HD13 LEU 114 HD13 LEU 114 27.932 -23.295 -12.477 911 HD21 LEU 114 HD21 LEU 114 29.578 -20.261 -11.036 912 HD22 LEU 114 HD22 LEU 114 27.850 -19.907 -11.010 913 HD23 LEU 114 HD23 LEU 114 28.886 -19.157 -12.225 914 H GLU 115 H GLU 115 27.101 -23.160 -15.085 915 HA GLU 115 HA GLU 115 28.149 -25.895 -14.846 916 HB2 GLU 115 HB2 GLU 115 26.986 -24.932 -12.733 917 HB3 GLU 115 HB3 GLU 115 25.499 -25.099 -13.656 918 HG2 GLU 115 HG2 GLU 115 25.886 -27.009 -12.189 919 HG3 GLU 115 HG3 GLU 115 25.879 -27.480 -13.889 920 H HIS 116 H HIS 116 27.110 -27.410 -16.156 921 HA HIS 116 HA HIS 116 25.468 -26.201 -18.258 922 HB2 HIS 116 HB2 HIS 116 26.009 -28.184 -19.609 923 HB3 HIS 116 HB3 HIS 116 27.457 -27.365 -19.044 924 HD1 HIS 116 HD1 HIS 116 29.149 -28.765 -17.878 925 HD2 HIS 116 HD2 HIS 116 25.444 -30.644 -18.118 926 HE1 HIS 116 HE1 HIS 116 29.519 -31.109 -17.040 927 HE2 HIS 116 HE2 HIS 116 27.286 -32.263 -17.289 928 H HIS 117 H HIS 117 23.706 -27.517 -19.200 929 HA HIS 117 HA HIS 117 22.297 -29.066 -17.121 930 HB2 HIS 117 HB2 HIS 117 21.192 -26.894 -18.907 931 HB3 HIS 117 HB3 HIS 117 20.169 -28.030 -18.034 932 HD1 HIS 117 HD1 HIS 117 22.315 -25.015 -17.553 933 HD2 HIS 117 HD2 HIS 117 20.103 -27.674 -15.238 934 HE1 HIS 117 HE1 HIS 117 22.101 -23.934 -15.292 935 HE2 HIS 117 HE2 HIS 117 20.827 -25.593 -13.879 936 H HIS 118 H HIS 118 20.545 -30.454 -18.024 937 HA HIS 118 HA HIS 118 21.585 -31.707 -20.469 938 HB2 HIS 118 HB2 HIS 118 19.819 -32.834 -18.288 939 HB3 HIS 118 HB3 HIS 118 20.312 -33.718 -19.728 940 HD1 HIS 118 HD1 HIS 118 22.436 -34.998 -19.562 941 HD2 HIS 118 HD2 HIS 118 22.104 -32.096 -16.594 942 HE1 HIS 118 HE1 HIS 118 24.388 -35.374 -18.017 943 HE2 HIS 118 HE2 HIS 118 24.070 -33.718 -16.141 944 H HIS 119 H HIS 119 20.606 -30.510 -22.039 945 HA HIS 119 HA HIS 119 18.085 -31.400 -22.910 946 HB2 HIS 119 HB2 HIS 119 17.411 -29.721 -21.080 947 HB3 HIS 119 HB3 HIS 119 18.041 -28.472 -22.148 948 HD1 HIS 119 HD1 HIS 119 14.999 -30.209 -21.336 949 HD2 HIS 119 HD2 HIS 119 16.617 -28.556 -24.802 950 HE1 HIS 119 HE1 HIS 119 13.066 -29.892 -22.913 951 HE2 HIS 119 HE2 HIS 119 14.066 -28.953 -25.023 952 H HIS 120 H HIS 120 20.262 -31.601 -24.244 953 HA HIS 120 HA HIS 120 19.846 -30.156 -26.621 954 HB2 HIS 120 HB2 HIS 120 20.935 -28.336 -25.241 955 HB3 HIS 120 HB3 HIS 120 22.376 -29.340 -25.166 956 HD1 HIS 120 HD1 HIS 120 23.853 -29.470 -27.264 957 HD2 HIS 120 HD2 HIS 120 20.431 -27.148 -27.753 958 HE1 HIS 120 HE1 HIS 120 24.168 -28.233 -29.431 959 HE2 HIS 120 HE2 HIS 120 22.202 -26.672 -29.580 960 H HIS 121 H HIS 121 20.973 -31.062 -28.321 961 HA HIS 121 HA HIS 121 23.252 -32.783 -27.722 962 HB2 HIS 121 HB2 HIS 121 21.212 -34.243 -27.822 963 HB3 HIS 121 HB3 HIS 121 20.961 -33.699 -29.478 964 HD1 HIS 121 HD1 HIS 121 22.946 -36.039 -27.414 965 HD2 HIS 121 HD2 HIS 121 22.904 -34.663 -31.343 966 HE1 HIS 121 HE1 HIS 121 24.427 -37.614 -28.704 967 HE2 HIS 121 HE2 HIS 121 24.544 -36.644 -31.025 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -15.304 8.537 4.466 2 H2 MET 1 H2 MET 1 -14.855 9.981 3.698 3 H3 MET 1 H3 MET 1 -14.396 9.696 5.304 4 HA MET 1 HA MET 1 -13.526 8.053 2.998 5 HB2 MET 1 HB2 MET 1 -12.595 10.287 2.788 6 HB3 MET 1 HB3 MET 1 -12.062 10.258 4.464 7 HG2 MET 1 HG2 MET 1 -10.225 9.864 2.907 8 HG3 MET 1 HG3 MET 1 -10.497 8.483 3.971 9 HE1 MET 1 HE1 MET 1 -12.452 9.653 0.739 10 HE2 MET 1 HE2 MET 1 -11.690 8.639 -0.487 11 HE3 MET 1 HE3 MET 1 -10.754 9.893 0.328 12 H GLU 2 H GLU 2 -12.577 9.107 6.258 13 HA GLU 2 HA GLU 2 -11.039 6.877 6.915 14 HB2 GLU 2 HB2 GLU 2 -11.230 7.613 9.233 15 HB3 GLU 2 HB3 GLU 2 -10.964 8.987 8.172 16 HG2 GLU 2 HG2 GLU 2 -13.618 8.167 9.339 17 HG3 GLU 2 HG3 GLU 2 -12.586 9.461 9.938 18 H ASN 3 H ASN 3 -14.486 7.490 7.344 19 HA ASN 3 HA ASN 3 -14.812 4.615 7.906 20 HB2 ASN 3 HB2 ASN 3 -15.484 6.051 9.825 21 HB3 ASN 3 HB3 ASN 3 -16.647 6.863 8.784 22 HD21 ASN 3 HD21 ASN 3 -15.860 3.903 10.448 23 HD22 ASN 3 HD22 ASN 3 -17.436 3.198 10.350 24 H SER 4 H SER 4 -14.647 4.597 5.514 25 HA SER 4 HA SER 4 -17.306 4.666 4.351 26 HB2 SER 4 HB2 SER 4 -15.012 6.102 2.987 27 HB3 SER 4 HB3 SER 4 -16.687 6.017 2.444 28 HG SER 4 HG SER 4 -17.256 7.190 4.371 29 H GLY 5 H GLY 5 -17.540 3.213 2.646 30 HA2 GLY 5 HA2 GLY 5 -15.102 1.722 1.883 31 HA3 GLY 5 HA3 GLY 5 -16.595 0.888 2.292 32 H ALA 6 H ALA 6 -16.268 3.856 0.435 33 HA ALA 6 HA ALA 6 -17.872 2.722 -1.685 34 HB1 ALA 6 HB1 ALA 6 -16.657 5.470 -1.426 35 HB2 ALA 6 HB2 ALA 6 -18.283 5.006 -0.927 36 HB3 ALA 6 HB3 ALA 6 -17.841 4.969 -2.633 37 H TYR 7 H TYR 7 -14.919 4.695 -1.919 38 HA TYR 7 HA TYR 7 -13.830 2.725 -3.816 39 HB2 TYR 7 HB2 TYR 7 -13.060 4.466 -5.274 40 HB3 TYR 7 HB3 TYR 7 -14.764 4.774 -4.966 41 HD1 TYR 7 HD2 TYR 7 -15.426 6.665 -3.464 42 HD2 TYR 7 HD1 TYR 7 -11.378 6.010 -4.600 43 HE1 TYR 7 HE2 TYR 7 -14.854 8.953 -2.749 44 HE2 TYR 7 HE1 TYR 7 -10.802 8.286 -3.892 45 HH TYR 7 HH TYR 7 -11.513 10.186 -3.072 46 H THR 8 H THR 8 -13.515 3.565 -0.911 47 HA THR 8 HA THR 8 -11.318 5.073 -0.339 48 HB THR 8 HB THR 8 -12.027 2.575 1.188 49 HG1 THR 8 HG1 THR 8 -13.641 3.848 2.178 50 HG21 THR 8 HG21 THR 8 -11.398 3.942 3.135 51 HG22 THR 8 HG22 THR 8 -10.997 5.283 2.063 52 HG23 THR 8 HG23 THR 8 -10.059 3.790 1.998 53 H PHE 9 H PHE 9 -9.185 4.883 -0.437 54 HA PHE 9 HA PHE 9 -7.887 3.012 -2.019 55 HB2 PHE 9 HB2 PHE 9 -6.982 5.226 -1.490 56 HB3 PHE 9 HB3 PHE 9 -6.743 4.740 0.183 57 HD1 PHE 9 HD1 PHE 9 -5.783 3.699 -3.266 58 HD2 PHE 9 HD2 PHE 9 -4.658 4.012 0.825 59 HE1 PHE 9 HE1 PHE 9 -3.521 2.914 -3.832 60 HE2 PHE 9 HE2 PHE 9 -2.398 3.227 0.267 61 HZ PHE 9 HZ PHE 9 -1.825 2.675 -2.062 62 H GLU 10 H GLU 10 -8.383 3.039 1.468 63 HA GLU 10 HA GLU 10 -6.680 0.869 2.072 64 HB2 GLU 10 HB2 GLU 10 -7.623 2.549 3.710 65 HB3 GLU 10 HB3 GLU 10 -9.156 1.696 3.599 66 HG2 GLU 10 HG2 GLU 10 -6.905 -0.052 4.194 67 HG3 GLU 10 HG3 GLU 10 -7.158 1.203 5.403 68 H THR 11 H THR 11 -10.148 1.065 1.378 69 HA THR 11 HA THR 11 -10.802 -1.623 1.756 70 HB THR 11 HB THR 11 -12.064 0.135 -0.344 71 HG1 THR 11 HG1 THR 11 -12.363 0.225 2.502 72 HG21 THR 11 HG21 THR 11 -12.850 -2.190 -0.182 73 HG22 THR 11 HG22 THR 11 -14.102 -1.046 0.300 74 HG23 THR 11 HG23 THR 11 -13.209 -1.945 1.528 75 H ILE 12 H ILE 12 -9.708 0.124 -1.121 76 HA ILE 12 HA ILE 12 -9.850 -2.003 -2.947 77 HB ILE 12 HB ILE 12 -8.002 0.392 -2.940 78 HG12 ILE 12 HG12 ILE 12 -10.362 1.008 -2.947 79 HG13 ILE 12 HG13 ILE 12 -9.644 1.343 -4.518 80 HG21 ILE 12 HG21 ILE 12 -7.136 -1.364 -4.390 81 HG22 ILE 12 HG22 ILE 12 -7.742 -0.006 -5.340 82 HG23 ILE 12 HG23 ILE 12 -8.698 -1.481 -5.196 83 HD11 ILE 12 HD11 ILE 12 -11.877 0.388 -4.710 84 HD12 ILE 12 HD12 ILE 12 -11.336 -1.053 -3.848 85 HD13 ILE 12 HD13 ILE 12 -10.656 -0.662 -5.428 86 H ALA 13 H ALA 13 -7.310 -0.984 -0.729 87 HA ALA 13 HA ALA 13 -5.270 -2.689 -1.642 88 HB1 ALA 13 HB1 ALA 13 -4.231 -2.295 0.552 89 HB2 ALA 13 HB2 ALA 13 -5.727 -1.548 1.112 90 HB3 ALA 13 HB3 ALA 13 -4.806 -0.802 -0.194 91 H ARG 14 H ARG 14 -8.017 -3.231 0.440 92 HA ARG 14 HA ARG 14 -7.114 -5.747 1.468 93 HB2 ARG 14 HB2 ARG 14 -9.669 -4.213 1.521 94 HB3 ARG 14 HB3 ARG 14 -9.746 -5.937 1.835 95 HG2 ARG 14 HG2 ARG 14 -9.595 -4.524 3.871 96 HG3 ARG 14 HG3 ARG 14 -8.324 -5.740 3.733 97 HD2 ARG 14 HD2 ARG 14 -6.684 -4.189 3.399 98 HD3 ARG 14 HD3 ARG 14 -7.778 -3.033 2.644 99 HE ARG 14 HE ARG 14 -8.504 -2.349 4.792 100 HH11 ARG 14 HH11 ARG 14 -5.873 -4.655 4.928 101 HH12 ARG 14 HH12 ARG 14 -5.374 -4.190 6.519 102 HH21 ARG 14 HH21 ARG 14 -7.840 -1.697 6.859 103 HH22 ARG 14 HH22 ARG 14 -6.489 -2.489 7.619 104 H GLU 15 H GLU 15 -8.994 -4.703 -1.299 105 HA GLU 15 HA GLU 15 -10.321 -7.057 -1.927 106 HB2 GLU 15 HB2 GLU 15 -9.263 -4.922 -3.782 107 HB3 GLU 15 HB3 GLU 15 -10.412 -6.166 -4.249 108 HG2 GLU 15 HG2 GLU 15 -10.865 -4.063 -2.142 109 HG3 GLU 15 HG3 GLU 15 -11.507 -4.038 -3.784 110 H TRP 16 H TRP 16 -7.243 -5.924 -3.361 111 HA TRP 16 HA TRP 16 -6.854 -8.440 -4.672 112 HB2 TRP 16 HB2 TRP 16 -4.604 -7.505 -5.281 113 HB3 TRP 16 HB3 TRP 16 -5.967 -6.510 -5.774 114 HD1 TRP 16 HD1 TRP 16 -6.090 -4.080 -4.845 115 HE1 TRP 16 HE1 TRP 16 -4.555 -2.655 -3.352 116 HE3 TRP 16 HE3 TRP 16 -2.877 -7.731 -3.259 117 HZ2 TRP 16 HZ2 TRP 16 -2.272 -3.029 -1.726 118 HZ3 TRP 16 HZ3 TRP 16 -1.040 -7.111 -1.746 119 HH2 TRP 16 HH2 TRP 16 -0.755 -4.810 -0.998 120 H HIS 17 H HIS 17 -5.868 -7.063 -1.623 121 HA HIS 17 HA HIS 17 -3.717 -8.822 -1.099 122 HB2 HIS 17 HB2 HIS 17 -4.106 -6.675 0.110 123 HB3 HIS 17 HB3 HIS 17 -5.479 -7.423 0.923 124 HD1 HIS 17 HD1 HIS 17 -1.795 -7.175 0.999 125 HD2 HIS 17 HD2 HIS 17 -4.766 -9.431 2.828 126 HE1 HIS 17 HE1 HIS 17 -0.684 -8.292 2.959 127 HE2 HIS 17 HE2 HIS 17 -2.457 -9.791 3.944 128 H GLU 18 H GLU 18 -7.182 -9.005 -0.370 129 HA GLU 18 HA GLU 18 -6.962 -11.227 1.376 130 HB2 GLU 18 HB2 GLU 18 -9.303 -10.086 -0.134 131 HB3 GLU 18 HB3 GLU 18 -9.446 -11.447 0.970 132 HG2 GLU 18 HG2 GLU 18 -8.476 -9.997 2.756 133 HG3 GLU 18 HG3 GLU 18 -8.584 -8.646 1.631 134 H SER 19 H SER 19 -6.509 -11.089 -1.922 135 HA SER 19 HA SER 19 -7.451 -13.603 -2.749 136 HB2 SER 19 HB2 SER 19 -4.882 -12.256 -3.631 137 HB3 SER 19 HB3 SER 19 -5.827 -13.436 -4.537 138 HG SER 19 HG SER 19 -6.156 -10.741 -4.322 139 H ASN 20 H ASN 20 -4.837 -12.605 -0.725 140 HA ASN 20 HA ASN 20 -4.050 -15.422 -0.334 141 HB2 ASN 20 HB2 ASN 20 -2.303 -12.949 -0.168 142 HB3 ASN 20 HB3 ASN 20 -1.803 -14.553 0.353 143 HD21 ASN 20 HD21 ASN 20 -2.465 -12.490 -2.347 144 HD22 ASN 20 HD22 ASN 20 -1.784 -13.519 -3.556 145 H LYS 21 H LYS 21 -5.170 -15.933 1.449 146 HA LYS 21 HA LYS 21 -5.556 -16.149 3.686 147 HB2 LYS 21 HB2 LYS 21 -3.116 -15.374 3.853 148 HB3 LYS 21 HB3 LYS 21 -3.765 -13.781 4.205 149 HG2 LYS 21 HG2 LYS 21 -3.283 -14.737 6.286 150 HG3 LYS 21 HG3 LYS 21 -5.033 -14.876 6.107 151 HD2 LYS 21 HD2 LYS 21 -4.927 -17.164 5.652 152 HD3 LYS 21 HD3 LYS 21 -3.208 -17.098 5.273 153 HE2 LYS 21 HE2 LYS 21 -2.944 -16.367 7.751 154 HE3 LYS 21 HE3 LYS 21 -4.563 -17.035 7.944 155 HZ1 LYS 21 HZ1 LYS 21 -3.023 -18.731 8.475 156 HZ2 LYS 21 HZ2 LYS 21 -2.118 -18.464 7.069 157 HZ3 LYS 21 HZ3 LYS 21 -3.670 -19.135 6.960 158 H ARG 22 H ARG 22 -7.604 -15.623 4.148 159 HA ARG 22 HA ARG 22 -8.210 -12.873 4.844 160 HB2 ARG 22 HB2 ARG 22 -9.992 -12.510 3.340 161 HB3 ARG 22 HB3 ARG 22 -8.678 -13.130 2.353 162 HG2 ARG 22 HG2 ARG 22 -9.699 -15.273 2.202 163 HG3 ARG 22 HG3 ARG 22 -10.904 -14.845 3.416 164 HD2 ARG 22 HD2 ARG 22 -12.000 -14.694 1.332 165 HD3 ARG 22 HD3 ARG 22 -11.673 -13.035 1.832 166 HE ARG 22 HE ARG 22 -9.530 -13.612 0.306 167 HH11 ARG 22 HH11 ARG 22 -12.985 -13.864 -0.219 168 HH12 ARG 22 HH12 ARG 22 -12.863 -13.759 -1.948 169 HH21 ARG 22 HH21 ARG 22 -9.360 -13.441 -1.954 170 HH22 ARG 22 HH22 ARG 22 -10.779 -13.523 -2.944 171 H TRP 23 H TRP 23 -9.260 -16.227 4.627 172 HA TRP 23 HA TRP 23 -11.750 -15.921 5.878 173 HB2 TRP 23 HB2 TRP 23 -11.593 -18.415 6.233 174 HB3 TRP 23 HB3 TRP 23 -11.408 -17.867 4.573 175 HD1 TRP 23 HD1 TRP 23 -9.432 -19.441 7.445 176 HE1 TRP 23 HE1 TRP 23 -7.246 -20.425 6.499 177 HE3 TRP 23 HE3 TRP 23 -9.729 -17.609 2.681 178 HZ2 TRP 23 HZ2 TRP 23 -5.845 -20.415 4.047 179 HZ3 TRP 23 HZ3 TRP 23 -7.928 -18.148 1.098 180 HH2 TRP 23 HH2 TRP 23 -6.026 -19.522 1.768 181 H SER 24 H SER 24 -8.583 -16.075 7.227 182 HA SER 24 HA SER 24 -9.542 -16.735 9.867 183 HB2 SER 24 HB2 SER 24 -7.212 -17.285 8.970 184 HB3 SER 24 HB3 SER 24 -6.838 -15.576 9.185 185 HG SER 24 HG SER 24 -7.335 -17.564 11.098 186 H GLU 25 H GLU 25 -11.183 -15.070 9.739 187 HA GLU 25 HA GLU 25 -10.637 -12.334 9.429 188 HB2 GLU 25 HB2 GLU 25 -12.923 -12.009 10.313 189 HB3 GLU 25 HB3 GLU 25 -12.841 -13.216 9.037 190 HG2 GLU 25 HG2 GLU 25 -12.733 -14.941 10.899 191 HG3 GLU 25 HG3 GLU 25 -13.207 -13.633 11.982 192 H ASP 26 H ASP 26 -10.469 -14.406 12.198 193 HA ASP 26 HA ASP 26 -10.599 -12.672 14.332 194 HB2 ASP 26 HB2 ASP 26 -8.599 -14.913 13.945 195 HB3 ASP 26 HB3 ASP 26 -9.041 -14.191 15.487 196 H HIS 27 H HIS 27 -7.908 -13.272 12.136 197 HA HIS 27 HA HIS 27 -6.092 -11.579 13.565 198 HB2 HIS 27 HB2 HIS 27 -5.867 -12.773 10.799 199 HB3 HIS 27 HB3 HIS 27 -4.568 -11.955 11.654 200 HD1 HIS 27 HD1 HIS 27 -5.062 -13.346 14.455 201 HD2 HIS 27 HD2 HIS 27 -4.813 -15.278 10.782 202 HE1 HIS 27 HE1 HIS 27 -4.388 -15.712 14.976 203 HE2 HIS 27 HE2 HIS 27 -4.435 -16.906 12.750 204 H ARG 28 H ARG 28 -8.440 -11.111 11.086 205 HA ARG 28 HA ARG 28 -7.382 -9.056 9.577 206 HB2 ARG 28 HB2 ARG 28 -9.521 -10.237 9.107 207 HB3 ARG 28 HB3 ARG 28 -10.281 -9.299 10.384 208 HG2 ARG 28 HG2 ARG 28 -9.804 -7.238 9.168 209 HG3 ARG 28 HG3 ARG 28 -9.019 -8.170 7.892 210 HD2 ARG 28 HD2 ARG 28 -11.217 -9.401 7.635 211 HD3 ARG 28 HD3 ARG 28 -11.924 -8.166 8.676 212 HE ARG 28 HE ARG 28 -11.391 -6.526 6.976 213 HH11 ARG 28 HH11 ARG 28 -11.083 -9.884 6.062 214 HH12 ARG 28 HH12 ARG 28 -11.245 -9.590 4.353 215 HH21 ARG 28 HH21 ARG 28 -11.654 -6.114 4.716 216 HH22 ARG 28 HH22 ARG 28 -11.542 -7.441 3.590 217 H SER 29 H SER 29 -8.948 -8.826 12.742 218 HA SER 29 HA SER 29 -9.189 -6.033 12.851 219 HB2 SER 29 HB2 SER 29 -8.637 -7.908 15.167 220 HB3 SER 29 HB3 SER 29 -9.376 -6.309 15.258 221 HG SER 29 HG SER 29 -11.033 -7.773 15.278 222 H ARG 30 H ARG 30 -6.506 -8.178 13.585 223 HA ARG 30 HA ARG 30 -4.874 -6.067 14.679 224 HB2 ARG 30 HB2 ARG 30 -4.510 -9.003 14.215 225 HB3 ARG 30 HB3 ARG 30 -3.100 -7.997 14.501 226 HG2 ARG 30 HG2 ARG 30 -3.985 -9.122 16.533 227 HG3 ARG 30 HG3 ARG 30 -3.891 -7.365 16.665 228 HD2 ARG 30 HD2 ARG 30 -6.236 -7.134 16.396 229 HD3 ARG 30 HD3 ARG 30 -6.411 -8.813 15.888 230 HE ARG 30 HE ARG 30 -5.633 -9.336 18.253 231 HH11 ARG 30 HH11 ARG 30 -7.357 -6.372 17.491 232 HH12 ARG 30 HH12 ARG 30 -8.213 -6.338 19.008 233 HH21 ARG 30 HH21 ARG 30 -6.777 -9.302 20.229 234 HH22 ARG 30 HH22 ARG 30 -7.907 -8.019 20.554 235 H VAL 31 H VAL 31 -5.146 -7.813 11.620 236 HA VAL 31 HA VAL 31 -2.775 -6.635 10.522 237 HB VAL 31 HB VAL 31 -3.418 -7.531 8.387 238 HG11 VAL 31 HG11 VAL 31 -2.470 -9.099 9.978 239 HG12 VAL 31 HG12 VAL 31 -3.644 -9.907 8.940 240 HG13 VAL 31 HG13 VAL 31 -4.079 -9.478 10.595 241 HG21 VAL 31 HG21 VAL 31 -5.776 -6.953 8.387 242 HG22 VAL 31 HG22 VAL 31 -6.093 -8.174 9.621 243 HG23 VAL 31 HG23 VAL 31 -5.555 -8.663 8.013 244 H LEU 32 H LEU 32 -5.950 -5.558 11.054 245 HA LEU 32 HA LEU 32 -6.205 -3.582 9.077 246 HB2 LEU 32 HB2 LEU 32 -7.898 -4.436 10.834 247 HB3 LEU 32 HB3 LEU 32 -7.160 -3.272 11.912 248 HG LEU 32 HG LEU 32 -8.393 -2.494 9.270 249 HD11 LEU 32 HD11 LEU 32 -9.645 -2.505 12.014 250 HD12 LEU 32 HD12 LEU 32 -10.096 -3.536 10.657 251 HD13 LEU 32 HD13 LEU 32 -10.351 -1.794 10.562 252 HD21 LEU 32 HD21 LEU 32 -8.467 -0.267 10.257 253 HD22 LEU 32 HD22 LEU 32 -6.814 -0.876 10.218 254 HD23 LEU 32 HD23 LEU 32 -7.717 -0.881 11.731 255 H ARG 33 H ARG 33 -4.984 -3.334 12.427 256 HA ARG 33 HA ARG 33 -3.934 -0.712 12.053 257 HB2 ARG 33 HB2 ARG 33 -2.929 -0.978 14.244 258 HB3 ARG 33 HB3 ARG 33 -4.575 -1.592 14.274 259 HG2 ARG 33 HG2 ARG 33 -3.686 -3.883 14.055 260 HG3 ARG 33 HG3 ARG 33 -2.051 -3.227 14.130 261 HD2 ARG 33 HD2 ARG 33 -2.644 -2.235 16.349 262 HD3 ARG 33 HD3 ARG 33 -4.167 -3.124 16.274 263 HE ARG 33 HE ARG 33 -1.794 -4.744 15.927 264 HH11 ARG 33 HH11 ARG 33 -4.159 -3.485 18.183 265 HH12 ARG 33 HH12 ARG 33 -3.768 -4.633 19.431 266 HH21 ARG 33 HH21 ARG 33 -1.283 -6.255 17.564 267 HH22 ARG 33 HH22 ARG 33 -2.141 -6.207 19.075 268 H TYR 34 H TYR 34 -2.678 -3.939 11.668 269 HA TYR 34 HA TYR 34 0.075 -3.420 11.500 270 HB2 TYR 34 HB2 TYR 34 -1.205 -5.653 11.587 271 HB3 TYR 34 HB3 TYR 34 -1.395 -5.476 9.849 272 HD1 TYR 34 HD2 TYR 34 0.993 -6.056 12.574 273 HD2 TYR 34 HD1 TYR 34 0.461 -5.861 8.357 274 HE1 TYR 34 HE2 TYR 34 3.165 -7.159 12.258 275 HE2 TYR 34 HE1 TYR 34 2.630 -6.974 8.029 276 HH TYR 34 HH TYR 34 4.697 -7.358 9.178 277 H LEU 35 H LEU 35 -2.536 -2.972 9.278 278 HA LEU 35 HA LEU 35 -1.190 -2.720 6.845 279 HB2 LEU 35 HB2 LEU 35 -3.659 -2.929 7.256 280 HB3 LEU 35 HB3 LEU 35 -3.673 -1.260 7.770 281 HG LEU 35 HG LEU 35 -4.520 -1.717 5.449 282 HD11 LEU 35 HD11 LEU 35 -3.884 0.520 6.138 283 HD12 LEU 35 HD12 LEU 35 -3.451 0.234 4.452 284 HD13 LEU 35 HD13 LEU 35 -2.207 0.193 5.700 285 HD21 LEU 35 HD21 LEU 35 -2.893 -3.382 4.773 286 HD22 LEU 35 HD22 LEU 35 -1.600 -2.187 4.882 287 HD23 LEU 35 HD23 LEU 35 -2.869 -2.006 3.669 288 H GLU 36 H GLU 36 -2.003 -0.281 9.296 289 HA GLU 36 HA GLU 36 -0.913 1.891 7.782 290 HB2 GLU 36 HB2 GLU 36 -1.751 1.736 10.678 291 HB3 GLU 36 HB3 GLU 36 -1.319 3.216 9.833 292 HG2 GLU 36 HG2 GLU 36 -3.193 2.838 8.279 293 HG3 GLU 36 HG3 GLU 36 -3.645 1.413 9.216 294 H LEU 37 H LEU 37 0.319 -0.289 10.194 295 HA LEU 37 HA LEU 37 2.533 1.436 10.881 296 HB2 LEU 37 HB2 LEU 37 1.529 -1.196 11.818 297 HB3 LEU 37 HB3 LEU 37 3.219 -0.818 12.092 298 HG LEU 37 HG LEU 37 1.934 -0.265 14.051 299 HD11 LEU 37 HD11 LEU 37 2.775 2.225 12.581 300 HD12 LEU 37 HD12 LEU 37 3.828 1.166 13.517 301 HD13 LEU 37 HD13 LEU 37 2.552 2.079 14.325 302 HD21 LEU 37 HD21 LEU 37 -0.247 0.061 12.993 303 HD22 LEU 37 HD22 LEU 37 0.323 1.571 12.281 304 HD23 LEU 37 HD23 LEU 37 0.176 1.420 14.032 305 H TYR 38 H TYR 38 1.958 -0.979 8.537 306 HA TYR 38 HA TYR 38 4.853 -1.112 8.017 307 HB2 TYR 38 HB2 TYR 38 2.835 -3.335 7.975 308 HB3 TYR 38 HB3 TYR 38 4.319 -3.439 7.036 309 HD1 TYR 38 HD2 TYR 38 6.480 -3.617 8.142 310 HD2 TYR 38 HD1 TYR 38 2.872 -3.505 10.393 311 HE1 TYR 38 HE2 TYR 38 7.686 -4.473 10.105 312 HE2 TYR 38 HE1 TYR 38 4.071 -4.360 12.362 313 HH TYR 38 HH TYR 38 6.230 -5.793 12.716 314 H ILE 39 H ILE 39 1.709 -1.763 6.445 315 HA ILE 39 HA ILE 39 2.865 -1.827 3.856 316 HB ILE 39 HB ILE 39 -0.054 -1.466 4.545 317 HG12 ILE 39 HG12 ILE 39 0.868 -3.435 5.680 318 HG13 ILE 39 HG13 ILE 39 -0.214 -3.915 4.376 319 HG21 ILE 39 HG21 ILE 39 1.282 -2.564 2.076 320 HG22 ILE 39 HG22 ILE 39 0.484 -0.997 2.214 321 HG23 ILE 39 HG23 ILE 39 -0.455 -2.482 2.363 322 HD11 ILE 39 HD11 ILE 39 1.697 -4.418 2.962 323 HD12 ILE 39 HD12 ILE 39 1.776 -5.319 4.475 324 HD13 ILE 39 HD13 ILE 39 2.795 -3.898 4.241 325 H PHE 40 H PHE 40 0.688 0.576 5.377 326 HA PHE 40 HA PHE 40 1.898 2.569 3.573 327 HB2 PHE 40 HB2 PHE 40 -0.962 2.623 4.556 328 HB3 PHE 40 HB3 PHE 40 -0.212 3.762 3.444 329 HD1 PHE 40 HD1 PHE 40 0.907 2.498 1.311 330 HD2 PHE 40 HD2 PHE 40 -2.361 1.088 3.642 331 HE1 PHE 40 HE1 PHE 40 0.151 1.113 -0.583 332 HE2 PHE 40 HE2 PHE 40 -3.116 -0.298 1.760 333 HZ PHE 40 HZ PHE 40 -1.868 -0.286 -0.354 334 HA PRO 41 HA PRO 41 2.533 3.714 8.013 335 HB2 PRO 41 HB2 PRO 41 5.145 4.430 7.767 336 HB3 PRO 41 HB3 PRO 41 4.619 2.774 8.084 337 HG2 PRO 41 HG2 PRO 41 5.506 4.027 5.527 338 HG3 PRO 41 HG3 PRO 41 5.814 2.395 6.145 339 HD2 PRO 41 HD2 PRO 41 3.931 2.980 4.245 340 HD3 PRO 41 HD3 PRO 41 3.832 1.588 5.340 341 H HIS 42 H HIS 42 4.178 5.473 5.364 342 HA HIS 42 HA HIS 42 3.345 7.977 6.653 343 HB2 HIS 42 HB2 HIS 42 5.612 7.344 4.774 344 HB3 HIS 42 HB3 HIS 42 5.105 8.997 5.092 345 HD1 HIS 42 HD1 HIS 42 6.655 10.038 6.698 346 HD2 HIS 42 HD2 HIS 42 5.982 6.029 7.583 347 HE1 HIS 42 HE1 HIS 42 7.990 9.564 8.781 348 HE2 HIS 42 HE2 HIS 42 7.424 7.183 9.391 349 H ILE 43 H ILE 43 2.625 6.019 3.985 350 HA ILE 43 HA ILE 43 1.732 8.320 2.388 351 HB ILE 43 HB ILE 43 1.574 6.758 0.487 352 HG12 ILE 43 HG12 ILE 43 2.844 4.758 2.375 353 HG13 ILE 43 HG13 ILE 43 1.184 4.688 1.790 354 HG21 ILE 43 HG21 ILE 43 4.250 6.829 1.867 355 HG22 ILE 43 HG22 ILE 43 3.580 8.066 0.804 356 HG23 ILE 43 HG23 ILE 43 3.991 6.477 0.159 357 HD11 ILE 43 HD11 ILE 43 2.618 3.149 0.580 358 HD12 ILE 43 HD12 ILE 43 3.663 4.484 0.096 359 HD13 ILE 43 HD13 ILE 43 2.001 4.408 -0.490 360 H GLY 44 H GLY 44 0.394 6.718 4.706 361 HA2 GLY 44 HA2 GLY 44 -1.955 5.606 3.475 362 HA3 GLY 44 HA3 GLY 44 -1.680 5.824 5.195 363 H SER 45 H SER 45 -1.084 8.689 3.582 364 HA SER 45 HA SER 45 -3.687 9.740 4.409 365 HB2 SER 45 HB2 SER 45 -1.187 11.272 3.652 366 HB3 SER 45 HB3 SER 45 -2.633 11.918 4.433 367 HG SER 45 HG SER 45 -1.472 9.775 5.742 368 H SER 46 H SER 46 -2.296 8.570 1.684 369 HA SER 46 HA SER 46 -3.269 10.621 -0.132 370 HB2 SER 46 HB2 SER 46 -1.804 8.032 -0.687 371 HB3 SER 46 HB3 SER 46 -2.178 9.275 -1.882 372 HG SER 46 HG SER 46 -0.971 10.722 -0.410 373 H ASP 47 H ASP 47 -5.095 10.499 -1.256 374 HA ASP 47 HA ASP 47 -6.893 8.270 -0.917 375 HB2 ASP 47 HB2 ASP 47 -7.651 10.665 -1.030 376 HB3 ASP 47 HB3 ASP 47 -7.167 10.693 -2.720 377 H ILE 48 H ILE 48 -7.755 7.040 -2.761 378 HA ILE 48 HA ILE 48 -5.572 5.932 -4.185 379 HB ILE 48 HB ILE 48 -7.483 4.562 -3.512 380 HG12 ILE 48 HG12 ILE 48 -7.121 4.658 -6.519 381 HG13 ILE 48 HG13 ILE 48 -6.071 3.815 -5.385 382 HG21 ILE 48 HG21 ILE 48 -9.271 6.160 -3.835 383 HG22 ILE 48 HG22 ILE 48 -9.607 4.681 -4.734 384 HG23 ILE 48 HG23 ILE 48 -9.026 6.114 -5.580 385 HD11 ILE 48 HD11 ILE 48 -7.575 2.279 -6.506 386 HD12 ILE 48 HD12 ILE 48 -8.965 3.188 -5.914 387 HD13 ILE 48 HD13 ILE 48 -7.917 2.340 -4.777 388 H ARG 49 H ARG 49 -7.947 8.330 -5.047 389 HA ARG 49 HA ARG 49 -7.277 8.205 -7.852 390 HB2 ARG 49 HB2 ARG 49 -8.792 10.222 -8.007 391 HB3 ARG 49 HB3 ARG 49 -9.536 8.739 -7.434 392 HG2 ARG 49 HG2 ARG 49 -10.406 10.409 -6.061 393 HG3 ARG 49 HG3 ARG 49 -9.151 9.645 -5.086 394 HD2 ARG 49 HD2 ARG 49 -7.599 11.465 -5.805 395 HD3 ARG 49 HD3 ARG 49 -8.971 12.256 -6.578 396 HE ARG 49 HE ARG 49 -9.520 11.661 -3.848 397 HH11 ARG 49 HH11 ARG 49 -7.745 13.869 -5.909 398 HH12 ARG 49 HH12 ARG 49 -7.808 15.185 -4.768 399 HH21 ARG 49 HH21 ARG 49 -9.598 13.385 -2.340 400 HH22 ARG 49 HH22 ARG 49 -8.841 14.899 -2.738 401 H GLN 50 H GLN 50 -5.603 9.287 -5.312 402 HA GLN 50 HA GLN 50 -4.162 11.212 -6.959 403 HB2 GLN 50 HB2 GLN 50 -5.631 12.568 -5.537 404 HB3 GLN 50 HB3 GLN 50 -4.989 11.770 -4.108 405 HG2 GLN 50 HG2 GLN 50 -4.019 13.979 -4.445 406 HG3 GLN 50 HG3 GLN 50 -2.803 12.713 -4.519 407 HE21 GLN 50 HE21 GLN 50 -1.774 12.283 -6.470 408 HE22 GLN 50 HE22 GLN 50 -1.876 13.352 -7.823 409 H LEU 51 H LEU 51 -2.928 9.208 -7.088 410 HA LEU 51 HA LEU 51 -1.213 8.706 -4.783 411 HB2 LEU 51 HB2 LEU 51 -2.002 7.194 -7.167 412 HB3 LEU 51 HB3 LEU 51 -0.293 7.075 -6.792 413 HG LEU 51 HG LEU 51 -1.523 5.224 -5.808 414 HD11 LEU 51 HD11 LEU 51 -0.583 7.176 -3.714 415 HD12 LEU 51 HD12 LEU 51 0.441 6.075 -4.633 416 HD13 LEU 51 HD13 LEU 51 -0.756 5.433 -3.507 417 HD21 LEU 51 HD21 LEU 51 -3.163 5.607 -4.026 418 HD22 LEU 51 HD22 LEU 51 -3.699 6.264 -5.571 419 HD23 LEU 51 HD23 LEU 51 -3.071 7.344 -4.325 420 H LYS 52 H LYS 52 1.144 8.566 -5.182 421 HA LYS 52 HA LYS 52 1.982 10.711 -7.015 422 HB2 LYS 52 HB2 LYS 52 3.204 9.765 -4.416 423 HB3 LYS 52 HB3 LYS 52 3.968 10.928 -5.490 424 HG2 LYS 52 HG2 LYS 52 1.293 11.309 -4.158 425 HG3 LYS 52 HG3 LYS 52 2.821 11.979 -3.583 426 HD2 LYS 52 HD2 LYS 52 3.048 13.146 -5.780 427 HD3 LYS 52 HD3 LYS 52 1.423 12.588 -6.184 428 HE2 LYS 52 HE2 LYS 52 1.389 14.875 -5.334 429 HE3 LYS 52 HE3 LYS 52 0.526 13.780 -4.256 430 HZ1 LYS 52 HZ1 LYS 52 3.340 14.623 -3.833 431 HZ2 LYS 52 HZ2 LYS 52 2.351 13.771 -2.751 432 HZ3 LYS 52 HZ3 LYS 52 2.010 15.391 -3.114 433 H THR 53 H THR 53 4.108 10.468 -8.008 434 HA THR 53 HA THR 53 4.665 7.852 -8.983 435 HB THR 53 HB THR 53 6.832 9.807 -9.237 436 HG1 THR 53 HG1 THR 53 4.761 10.704 -10.775 437 HG21 THR 53 HG21 THR 53 6.554 9.302 -11.609 438 HG22 THR 53 HG22 THR 53 5.040 8.466 -11.269 439 HG23 THR 53 HG23 THR 53 6.562 7.811 -10.663 440 H SER 54 H SER 54 7.488 7.799 -8.935 441 HA SER 54 HA SER 54 8.081 6.261 -6.757 442 HB2 SER 54 HB2 SER 54 10.119 8.002 -8.139 443 HB3 SER 54 HB3 SER 54 10.352 6.397 -7.441 444 HG SER 54 HG SER 54 10.153 6.226 -9.685 445 H HIS 55 H HIS 55 7.768 9.660 -6.718 446 HA HIS 55 HA HIS 55 9.503 10.426 -4.670 447 HB2 HIS 55 HB2 HIS 55 6.729 11.496 -5.226 448 HB3 HIS 55 HB3 HIS 55 7.984 12.307 -4.298 449 HD1 HIS 55 HD1 HIS 55 9.873 13.460 -5.605 450 HD2 HIS 55 HD2 HIS 55 7.064 11.539 -7.995 451 HE1 HIS 55 HE1 HIS 55 10.308 14.275 -7.950 452 HE2 HIS 55 HE2 HIS 55 8.492 13.225 -9.356 453 H LEU 56 H LEU 56 6.428 8.735 -4.564 454 HA LEU 56 HA LEU 56 5.964 9.152 -1.783 455 HB2 LEU 56 HB2 LEU 56 4.085 7.901 -2.012 456 HB3 LEU 56 HB3 LEU 56 4.349 8.300 -3.692 457 HG LEU 56 HG LEU 56 5.215 5.694 -2.426 458 HD11 LEU 56 HD11 LEU 56 3.288 4.710 -3.567 459 HD12 LEU 56 HD12 LEU 56 2.772 6.317 -4.080 460 HD13 LEU 56 HD13 LEU 56 2.791 5.901 -2.366 461 HD21 LEU 56 HD21 LEU 56 6.477 6.320 -4.427 462 HD22 LEU 56 HD22 LEU 56 4.966 6.524 -5.314 463 HD23 LEU 56 HD23 LEU 56 5.435 4.929 -4.725 464 H LEU 57 H LEU 57 8.144 7.194 -3.479 465 HA LEU 57 HA LEU 57 8.389 5.118 -1.511 466 HB2 LEU 57 HB2 LEU 57 8.952 4.707 -3.849 467 HB3 LEU 57 HB3 LEU 57 10.201 5.933 -3.784 468 HG LEU 57 HG LEU 57 11.413 4.548 -2.107 469 HD11 LEU 57 HD11 LEU 57 9.354 2.459 -2.808 470 HD12 LEU 57 HD12 LEU 57 9.473 3.300 -1.262 471 HD13 LEU 57 HD13 LEU 57 10.774 2.231 -1.787 472 HD21 LEU 57 HD21 LEU 57 12.010 4.463 -4.469 473 HD22 LEU 57 HD22 LEU 57 10.814 3.194 -4.734 474 HD23 LEU 57 HD23 LEU 57 12.215 2.886 -3.707 475 H ALA 58 H ALA 58 9.520 8.325 -1.821 476 HA ALA 58 HA ALA 58 11.960 8.171 -0.440 477 HB1 ALA 58 HB1 ALA 58 10.043 10.496 -0.493 478 HB2 ALA 58 HB2 ALA 58 11.260 10.145 -1.718 479 HB3 ALA 58 HB3 ALA 58 11.757 10.556 -0.078 480 HA PRO 59 HA PRO 59 9.406 8.867 3.675 481 HB2 PRO 59 HB2 PRO 59 6.761 7.873 2.785 482 HB3 PRO 59 HB3 PRO 59 7.159 9.198 3.875 483 HG2 PRO 59 HG2 PRO 59 6.268 9.695 1.421 484 HG3 PRO 59 HG3 PRO 59 7.554 10.691 2.132 485 HD2 PRO 59 HD2 PRO 59 7.760 8.469 0.132 486 HD3 PRO 59 HD3 PRO 59 8.609 10.030 0.177 487 H ILE 60 H ILE 60 8.564 6.334 1.381 488 HA ILE 60 HA ILE 60 8.212 4.297 3.360 489 HB ILE 60 HB ILE 60 8.621 4.045 0.372 490 HG12 ILE 60 HG12 ILE 60 6.621 5.316 0.909 491 HG13 ILE 60 HG13 ILE 60 6.170 3.722 0.316 492 HG21 ILE 60 HG21 ILE 60 9.167 1.965 1.510 493 HG22 ILE 60 HG22 ILE 60 7.662 1.805 0.605 494 HG23 ILE 60 HG23 ILE 60 7.619 2.007 2.356 495 HD11 ILE 60 HD11 ILE 60 6.239 4.553 3.207 496 HD12 ILE 60 HD12 ILE 60 5.737 2.979 2.586 497 HD13 ILE 60 HD13 ILE 60 4.797 4.421 2.202 498 H LYS 61 H LYS 61 10.899 5.678 1.735 499 HA LYS 61 HA LYS 61 12.569 3.409 1.596 500 HB2 LYS 61 HB2 LYS 61 14.251 4.786 0.856 501 HB3 LYS 61 HB3 LYS 61 12.829 5.733 0.452 502 HG2 LYS 61 HG2 LYS 61 13.399 7.389 1.826 503 HG3 LYS 61 HG3 LYS 61 13.893 6.286 3.111 504 HD2 LYS 61 HD2 LYS 61 15.550 6.778 0.645 505 HD3 LYS 61 HD3 LYS 61 15.720 7.729 2.122 506 HE2 LYS 61 HE2 LYS 61 17.360 6.084 2.328 507 HE3 LYS 61 HE3 LYS 61 16.033 5.473 3.306 508 HZ1 LYS 61 HZ1 LYS 61 16.858 4.576 0.605 509 HZ2 LYS 61 HZ2 LYS 61 15.381 4.124 1.301 510 HZ3 LYS 61 HZ3 LYS 61 16.833 3.676 2.035 511 H GLU 62 H GLU 62 11.795 5.523 4.214 512 HA GLU 62 HA GLU 62 13.902 5.036 5.964 513 HB2 GLU 62 HB2 GLU 62 11.919 6.602 6.264 514 HB3 GLU 62 HB3 GLU 62 10.983 5.197 6.743 515 HG2 GLU 62 HG2 GLU 62 13.528 5.783 8.166 516 HG3 GLU 62 HG3 GLU 62 12.108 6.762 8.515 517 H VAL 63 H VAL 63 11.228 3.031 4.954 518 HA VAL 63 HA VAL 63 11.642 1.007 6.944 519 HB VAL 63 HB VAL 63 9.968 1.032 4.431 520 HG11 VAL 63 HG11 VAL 63 10.151 -1.117 6.546 521 HG12 VAL 63 HG12 VAL 63 10.639 -1.268 4.858 522 HG13 VAL 63 HG13 VAL 63 8.939 -1.044 5.267 523 HG21 VAL 63 HG21 VAL 63 8.109 1.101 6.029 524 HG22 VAL 63 HG22 VAL 63 9.184 2.487 6.206 525 HG23 VAL 63 HG23 VAL 63 9.265 1.154 7.357 526 H ASP 64 H ASP 64 12.769 1.537 3.621 527 HA ASP 64 HA ASP 64 13.636 -1.142 3.252 528 HB2 ASP 64 HB2 ASP 64 14.783 -0.453 1.285 529 HB3 ASP 64 HB3 ASP 64 13.307 0.488 1.360 530 H THR 65 H THR 65 15.105 1.676 4.677 531 HA THR 65 HA THR 65 17.694 0.436 4.875 532 HB THR 65 HB THR 65 16.764 2.928 6.295 533 HG1 THR 65 HG1 THR 65 16.859 2.444 3.656 534 HG21 THR 65 HG21 THR 65 18.955 2.059 6.980 535 HG22 THR 65 HG22 THR 65 19.130 3.571 6.089 536 HG23 THR 65 HG23 THR 65 19.477 2.033 5.297 537 H SER 66 H SER 66 14.899 0.871 6.965 538 HA SER 66 HA SER 66 16.432 -0.086 9.270 539 HB2 SER 66 HB2 SER 66 13.607 0.987 9.229 540 HB3 SER 66 HB3 SER 66 14.651 0.772 10.633 541 HG SER 66 HG SER 66 14.491 2.854 8.914 542 H GLY 67 H GLY 67 13.580 -0.926 7.342 543 HA2 GLY 67 HA2 GLY 67 13.318 -3.388 8.950 544 HA3 GLY 67 HA3 GLY 67 11.962 -2.557 8.204 545 H LYS 68 H LYS 68 15.116 -3.310 6.821 546 HA LYS 68 HA LYS 68 15.821 -4.634 5.155 547 HB2 LYS 68 HB2 LYS 68 13.379 -6.132 5.997 548 HB3 LYS 68 HB3 LYS 68 14.210 -6.596 4.523 549 HG2 LYS 68 HG2 LYS 68 15.574 -7.823 5.754 550 HG3 LYS 68 HG3 LYS 68 16.221 -6.331 6.432 551 HD2 LYS 68 HD2 LYS 68 13.880 -7.887 7.527 552 HD3 LYS 68 HD3 LYS 68 15.520 -7.912 8.170 553 HE2 LYS 68 HE2 LYS 68 15.350 -5.467 8.529 554 HE3 LYS 68 HE3 LYS 68 13.660 -5.556 8.040 555 HZ1 LYS 68 HZ1 LYS 68 14.936 -6.775 10.414 556 HZ2 LYS 68 HZ2 LYS 68 13.395 -7.235 9.882 557 HZ3 LYS 68 HZ3 LYS 68 13.681 -5.637 10.377 558 H HIS 69 H HIS 69 15.976 -3.603 3.347 559 HA HIS 69 HA HIS 69 13.850 -2.470 1.887 560 HB2 HIS 69 HB2 HIS 69 15.427 -2.209 0.025 561 HB3 HIS 69 HB3 HIS 69 16.147 -1.710 1.548 562 HD1 HIS 69 HD1 HIS 69 16.604 -4.009 -1.298 563 HD2 HIS 69 HD2 HIS 69 18.143 -3.509 2.537 564 HE1 HIS 69 HE1 HIS 69 18.713 -5.375 -1.226 565 HE2 HIS 69 HE2 HIS 69 19.750 -4.835 1.008 566 H ASP 70 H ASP 70 15.103 -5.671 2.000 567 HA ASP 70 HA ASP 70 14.147 -6.732 -0.401 568 HB2 ASP 70 HB2 ASP 70 15.610 -7.956 1.158 569 HB3 ASP 70 HB3 ASP 70 14.294 -8.044 2.324 570 H VAL 71 H VAL 71 12.567 -6.371 2.746 571 HA VAL 71 HA VAL 71 10.046 -7.374 1.850 572 HB VAL 71 HB VAL 71 10.609 -5.655 4.274 573 HG11 VAL 71 HG11 VAL 71 8.248 -5.757 3.693 574 HG12 VAL 71 HG12 VAL 71 8.563 -6.668 5.172 575 HG13 VAL 71 HG13 VAL 71 8.325 -7.519 3.646 576 HG21 VAL 71 HG21 VAL 71 10.585 -8.660 4.020 577 HG22 VAL 71 HG22 VAL 71 10.737 -7.757 5.528 578 HG23 VAL 71 HG23 VAL 71 12.004 -7.653 4.304 579 H ALA 72 H ALA 72 11.414 -4.158 2.421 580 HA ALA 72 HA ALA 72 9.111 -2.639 2.014 581 HB1 ALA 72 HB1 ALA 72 11.156 -1.749 3.007 582 HB2 ALA 72 HB2 ALA 72 10.607 -0.752 1.660 583 HB3 ALA 72 HB3 ALA 72 11.965 -1.855 1.443 584 H GLN 73 H GLN 73 11.568 -3.677 -0.340 585 HA GLN 73 HA GLN 73 10.495 -2.294 -2.545 586 HB2 GLN 73 HB2 GLN 73 12.245 -4.739 -2.303 587 HB3 GLN 73 HB3 GLN 73 11.813 -4.032 -3.844 588 HG2 GLN 73 HG2 GLN 73 12.879 -2.107 -1.937 589 HG3 GLN 73 HG3 GLN 73 14.004 -3.394 -2.364 590 HE21 GLN 73 HE21 GLN 73 12.188 -0.678 -3.515 591 HE22 GLN 73 HE22 GLN 73 13.000 -0.525 -5.029 592 H ARG 74 H ARG 74 10.134 -5.663 -1.472 593 HA ARG 74 HA ARG 74 8.357 -6.455 -3.495 594 HB2 ARG 74 HB2 ARG 74 9.575 -7.985 -1.945 595 HB3 ARG 74 HB3 ARG 74 8.483 -7.497 -0.658 596 HG2 ARG 74 HG2 ARG 74 6.603 -8.444 -1.824 597 HG3 ARG 74 HG3 ARG 74 7.618 -8.822 -3.219 598 HD2 ARG 74 HD2 ARG 74 8.934 -10.353 -1.863 599 HD3 ARG 74 HD3 ARG 74 7.969 -9.946 -0.446 600 HE ARG 74 HE ARG 74 6.486 -10.989 -2.712 601 HH11 ARG 74 HH11 ARG 74 8.204 -11.739 0.246 602 HH12 ARG 74 HH12 ARG 74 7.313 -13.205 0.552 603 HH21 ARG 74 HH21 ARG 74 5.318 -12.924 -2.331 604 HH22 ARG 74 HH22 ARG 74 5.671 -13.884 -0.924 605 H LEU 75 H LEU 75 7.872 -4.771 -0.484 606 HA LEU 75 HA LEU 75 5.042 -4.897 -0.428 607 HB2 LEU 75 HB2 LEU 75 6.738 -4.301 1.436 608 HB3 LEU 75 HB3 LEU 75 6.701 -2.687 0.758 609 HG LEU 75 HG LEU 75 4.214 -4.092 1.711 610 HD11 LEU 75 HD11 LEU 75 6.015 -2.218 3.239 611 HD12 LEU 75 HD12 LEU 75 5.775 -3.933 3.574 612 HD13 LEU 75 HD13 LEU 75 4.440 -2.798 3.777 613 HD21 LEU 75 HD21 LEU 75 3.881 -2.194 0.189 614 HD22 LEU 75 HD22 LEU 75 4.843 -1.176 1.261 615 HD23 LEU 75 HD23 LEU 75 3.304 -1.834 1.818 616 H GLN 76 H GLN 76 7.323 -2.348 -1.511 617 HA GLN 76 HA GLN 76 5.273 -0.569 -2.297 618 HB2 GLN 76 HB2 GLN 76 7.074 0.639 -3.532 619 HB3 GLN 76 HB3 GLN 76 7.382 0.379 -1.832 620 HG2 GLN 76 HG2 GLN 76 9.425 -0.090 -2.681 621 HG3 GLN 76 HG3 GLN 76 8.706 -1.697 -2.736 622 HE21 GLN 76 HE21 GLN 76 7.706 0.762 -4.963 623 HE22 GLN 76 HE22 GLN 76 8.455 0.079 -6.360 624 H GLN 77 H GLN 77 7.035 -3.022 -4.056 625 HA GLN 77 HA GLN 77 6.028 -2.542 -6.620 626 HB2 GLN 77 HB2 GLN 77 6.735 -5.146 -5.268 627 HB3 GLN 77 HB3 GLN 77 6.316 -5.026 -6.971 628 HG2 GLN 77 HG2 GLN 77 8.614 -3.611 -5.645 629 HG3 GLN 77 HG3 GLN 77 8.737 -5.090 -6.595 630 HE21 GLN 77 HE21 GLN 77 9.942 -2.441 -6.996 631 HE22 GLN 77 HE22 GLN 77 9.465 -1.956 -8.587 632 H ARG 78 H ARG 78 4.444 -3.874 -3.813 633 HA ARG 78 HA ARG 78 2.229 -5.002 -5.227 634 HB2 ARG 78 HB2 ARG 78 3.079 -4.795 -2.481 635 HB3 ARG 78 HB3 ARG 78 1.379 -4.362 -2.622 636 HG2 ARG 78 HG2 ARG 78 1.532 -6.699 -2.174 637 HG3 ARG 78 HG3 ARG 78 0.997 -6.491 -3.842 638 HD2 ARG 78 HD2 ARG 78 3.417 -6.765 -4.516 639 HD3 ARG 78 HD3 ARG 78 3.735 -7.261 -2.852 640 HE ARG 78 HE ARG 78 1.955 -8.691 -4.731 641 HH11 ARG 78 HH11 ARG 78 4.094 -8.685 -1.953 642 HH12 ARG 78 HH12 ARG 78 4.028 -10.406 -1.752 643 HH21 ARG 78 HH21 ARG 78 1.879 -10.918 -4.485 644 HH22 ARG 78 HH22 ARG 78 2.768 -11.696 -3.205 645 H VAL 79 H VAL 79 3.051 -1.838 -4.064 646 HA VAL 79 HA VAL 79 0.452 -0.696 -4.197 647 HB VAL 79 HB VAL 79 3.110 0.699 -4.577 648 HG11 VAL 79 HG11 VAL 79 1.234 2.059 -5.312 649 HG12 VAL 79 HG12 VAL 79 1.902 2.701 -3.812 650 HG13 VAL 79 HG13 VAL 79 0.404 1.773 -3.782 651 HG21 VAL 79 HG21 VAL 79 1.528 0.188 -2.062 652 HG22 VAL 79 HG22 VAL 79 2.942 1.237 -2.176 653 HG23 VAL 79 HG23 VAL 79 3.101 -0.494 -2.474 654 H THR 80 H THR 80 3.002 -1.295 -6.504 655 HA THR 80 HA THR 80 2.017 0.153 -8.697 656 HB THR 80 HB THR 80 3.548 -2.465 -8.727 657 HG1 THR 80 HG1 THR 80 4.251 0.024 -7.906 658 HG21 THR 80 HG21 THR 80 4.379 -1.700 -10.900 659 HG22 THR 80 HG22 THR 80 3.359 -0.265 -10.789 660 HG23 THR 80 HG23 THR 80 2.623 -1.864 -10.912 661 H ALA 81 H ALA 81 1.168 -2.974 -7.357 662 HA ALA 81 HA ALA 81 -0.468 -3.822 -9.539 663 HB1 ALA 81 HB1 ALA 81 -0.453 -4.756 -6.669 664 HB2 ALA 81 HB2 ALA 81 0.532 -5.418 -7.972 665 HB3 ALA 81 HB3 ALA 81 -1.222 -5.581 -8.024 666 H ILE 82 H ILE 82 -0.949 -1.904 -6.664 667 HA ILE 82 HA ILE 82 -3.768 -1.983 -6.554 668 HB ILE 82 HB ILE 82 -1.990 0.323 -5.738 669 HG12 ILE 82 HG12 ILE 82 -2.919 -2.065 -4.125 670 HG13 ILE 82 HG13 ILE 82 -1.275 -1.787 -4.687 671 HG21 ILE 82 HG21 ILE 82 -4.767 -0.460 -4.854 672 HG22 ILE 82 HG22 ILE 82 -4.343 0.921 -5.865 673 HG23 ILE 82 HG23 ILE 82 -3.813 0.864 -4.184 674 HD11 ILE 82 HD11 ILE 82 -1.128 0.202 -3.291 675 HD12 ILE 82 HD12 ILE 82 -1.520 -1.228 -2.337 676 HD13 ILE 82 HD13 ILE 82 -2.781 -0.060 -2.737 677 H MET 83 H MET 83 -1.496 0.108 -8.259 678 HA MET 83 HA MET 83 -3.376 1.900 -9.326 679 HB2 MET 83 HB2 MET 83 -0.568 1.206 -9.847 680 HB3 MET 83 HB3 MET 83 -1.428 1.883 -11.221 681 HG2 MET 83 HG2 MET 83 -0.251 3.595 -9.958 682 HG3 MET 83 HG3 MET 83 -1.990 3.857 -9.941 683 HE1 MET 83 HE1 MET 83 -3.399 2.494 -7.754 684 HE2 MET 83 HE2 MET 83 -3.340 4.254 -7.843 685 HE3 MET 83 HE3 MET 83 -3.031 3.439 -6.311 686 H ARG 84 H ARG 84 -2.262 -1.250 -10.438 687 HA ARG 84 HA ARG 84 -3.403 -1.225 -12.998 688 HB2 ARG 84 HB2 ARG 84 -1.870 -2.994 -11.872 689 HB3 ARG 84 HB3 ARG 84 -3.359 -3.678 -11.245 690 HG2 ARG 84 HG2 ARG 84 -2.693 -3.319 -14.165 691 HG3 ARG 84 HG3 ARG 84 -2.574 -4.827 -13.262 692 HD2 ARG 84 HD2 ARG 84 -5.010 -4.672 -12.799 693 HD3 ARG 84 HD3 ARG 84 -5.080 -3.252 -13.837 694 HE ARG 84 HE ARG 84 -5.050 -5.978 -14.655 695 HH11 ARG 84 HH11 ARG 84 -3.944 -2.793 -15.621 696 HH12 ARG 84 HH12 ARG 84 -3.973 -3.150 -17.319 697 HH21 ARG 84 HH21 ARG 84 -5.157 -6.430 -16.886 698 HH22 ARG 84 HH22 ARG 84 -4.652 -5.226 -18.038 699 H TYR 85 H TYR 85 -4.736 -2.316 -9.897 700 HA TYR 85 HA TYR 85 -7.303 -2.987 -10.841 701 HB2 TYR 85 HB2 TYR 85 -6.250 -3.668 -8.649 702 HB3 TYR 85 HB3 TYR 85 -6.571 -2.042 -8.061 703 HD1 TYR 85 HD1 TYR 85 -8.107 -5.219 -9.106 704 HD2 TYR 85 HD2 TYR 85 -8.786 -1.393 -7.376 705 HE1 TYR 85 HE1 TYR 85 -10.338 -5.951 -8.377 706 HE2 TYR 85 HE2 TYR 85 -11.022 -2.113 -6.648 707 HH TYR 85 HH TYR 85 -12.001 -5.350 -6.639 708 H ALA 86 H ALA 86 -5.961 -0.012 -9.495 709 HA ALA 86 HA ALA 86 -8.348 1.453 -9.319 710 HB1 ALA 86 HB1 ALA 86 -6.281 2.098 -8.183 711 HB2 ALA 86 HB2 ALA 86 -6.934 3.417 -9.157 712 HB3 ALA 86 HB3 ALA 86 -5.554 2.489 -9.742 713 H VAL 87 H VAL 87 -6.084 1.016 -11.995 714 HA VAL 87 HA VAL 87 -7.312 2.968 -13.672 715 HB VAL 87 HB VAL 87 -5.493 0.652 -14.359 716 HG11 VAL 87 HG11 VAL 87 -6.848 1.202 -16.301 717 HG12 VAL 87 HG12 VAL 87 -5.191 1.755 -16.538 718 HG13 VAL 87 HG13 VAL 87 -6.454 2.909 -16.114 719 HG21 VAL 87 HG21 VAL 87 -3.811 2.415 -14.642 720 HG22 VAL 87 HG22 VAL 87 -4.449 2.378 -12.999 721 HG23 VAL 87 HG23 VAL 87 -4.994 3.619 -14.131 722 H GLN 88 H GLN 88 -7.618 -0.550 -13.360 723 HA GLN 88 HA GLN 88 -9.273 -0.880 -15.630 724 HB2 GLN 88 HB2 GLN 88 -7.939 -2.679 -14.467 725 HB3 GLN 88 HB3 GLN 88 -9.176 -2.695 -13.226 726 HG2 GLN 88 HG2 GLN 88 -10.788 -3.553 -14.659 727 HG3 GLN 88 HG3 GLN 88 -9.888 -3.090 -16.100 728 HE21 GLN 88 HE21 GLN 88 -8.191 -4.364 -16.802 729 HE22 GLN 88 HE22 GLN 88 -7.955 -5.984 -16.238 730 H ASN 89 H ASN 89 -9.955 -0.266 -12.231 731 HA ASN 89 HA ASN 89 -12.822 -0.400 -12.720 732 HB2 ASN 89 HB2 ASN 89 -11.211 0.192 -10.236 733 HB3 ASN 89 HB3 ASN 89 -12.969 0.273 -10.287 734 HD21 ASN 89 HD21 ASN 89 -14.140 -1.638 -10.700 735 HD22 ASN 89 HD22 ASN 89 -13.465 -3.183 -10.292 736 H ASP 90 H ASP 90 -10.679 1.697 -13.634 737 HA ASP 90 HA ASP 90 -10.642 3.869 -14.228 738 HB2 ASP 90 HB2 ASP 90 -13.592 3.323 -14.168 739 HB3 ASP 90 HB3 ASP 90 -12.959 4.896 -14.644 740 H TYR 91 H TYR 91 -9.891 3.849 -11.757 741 HA TYR 91 HA TYR 91 -11.389 5.972 -10.393 742 HB2 TYR 91 HB2 TYR 91 -8.991 4.343 -9.521 743 HB3 TYR 91 HB3 TYR 91 -9.703 5.638 -8.568 744 HD1 TYR 91 HD2 TYR 91 -12.439 5.298 -8.424 745 HD2 TYR 91 HD1 TYR 91 -9.513 2.233 -8.789 746 HE1 TYR 91 HE2 TYR 91 -13.997 3.697 -7.398 747 HE2 TYR 91 HE1 TYR 91 -11.063 0.621 -7.764 748 HH TYR 91 HH TYR 91 -13.026 0.634 -6.291 749 H ILE 92 H ILE 92 -8.272 5.253 -11.862 750 HA ILE 92 HA ILE 92 -7.645 8.127 -11.808 751 HB ILE 92 HB ILE 92 -5.235 7.464 -11.802 752 HG12 ILE 92 HG12 ILE 92 -6.367 4.741 -11.115 753 HG13 ILE 92 HG13 ILE 92 -5.502 5.155 -12.589 754 HG21 ILE 92 HG21 ILE 92 -6.849 6.592 -9.410 755 HG22 ILE 92 HG22 ILE 92 -6.343 8.241 -9.776 756 HG23 ILE 92 HG23 ILE 92 -5.137 7.009 -9.402 757 HD11 ILE 92 HD11 ILE 92 -3.494 5.619 -11.259 758 HD12 ILE 92 HD12 ILE 92 -4.062 3.960 -11.064 759 HD13 ILE 92 HD13 ILE 92 -4.370 5.152 -9.802 760 H ASP 93 H ASP 93 -6.548 8.974 -13.605 761 HA ASP 93 HA ASP 93 -6.783 7.367 -16.052 762 HB2 ASP 93 HB2 ASP 93 -6.492 10.349 -15.635 763 HB3 ASP 93 HB3 ASP 93 -6.471 9.576 -17.217 764 H SER 94 H SER 94 -4.546 9.030 -14.004 765 HA SER 94 HA SER 94 -2.319 8.474 -15.804 766 HB2 SER 94 HB2 SER 94 -2.372 9.946 -13.155 767 HB3 SER 94 HB3 SER 94 -0.996 9.839 -14.255 768 HG SER 94 HG SER 94 -2.339 10.895 -15.840 769 H ASN 95 H ASN 95 -0.630 7.109 -15.230 770 HA ASN 95 HA ASN 95 -1.201 5.304 -12.977 771 HB2 ASN 95 HB2 ASN 95 0.510 4.868 -15.440 772 HB3 ASN 95 HB3 ASN 95 0.383 3.724 -14.109 773 HD21 ASN 95 HD21 ASN 95 -0.487 2.085 -15.282 774 HD22 ASN 95 HD22 ASN 95 -2.076 2.141 -15.971 775 HA PRO 96 HA PRO 96 2.313 7.857 -11.446 776 HB2 PRO 96 HB2 PRO 96 1.265 6.980 -8.834 777 HB3 PRO 96 HB3 PRO 96 1.569 8.615 -9.429 778 HG2 PRO 96 HG2 PRO 96 -0.924 7.675 -9.103 779 HG3 PRO 96 HG3 PRO 96 -0.508 8.779 -10.429 780 HD2 PRO 96 HD2 PRO 96 -0.883 5.807 -10.481 781 HD3 PRO 96 HD3 PRO 96 -1.425 7.031 -11.649 782 H ALA 97 H ALA 97 1.232 4.896 -9.784 783 HA ALA 97 HA ALA 97 3.970 4.069 -9.363 784 HB1 ALA 97 HB1 ALA 97 2.276 3.698 -7.615 785 HB2 ALA 97 HB2 ALA 97 3.031 2.196 -8.144 786 HB3 ALA 97 HB3 ALA 97 1.412 2.613 -8.705 787 H SER 98 H SER 98 4.151 4.171 -11.821 788 HA SER 98 HA SER 98 3.343 1.643 -13.057 789 HB2 SER 98 HB2 SER 98 2.960 3.712 -14.347 790 HB3 SER 98 HB3 SER 98 4.679 4.086 -14.263 791 HG SER 98 HG SER 98 3.949 1.591 -15.292 792 H ASP 99 H ASP 99 6.313 3.630 -13.145 793 HA ASP 99 HA ASP 99 7.804 1.224 -12.322 794 HB2 ASP 99 HB2 ASP 99 8.193 1.795 -14.736 795 HB3 ASP 99 HB3 ASP 99 8.844 3.346 -14.216 796 H MET 100 H MET 100 7.751 1.850 -10.201 797 HA MET 100 HA MET 100 8.661 4.550 -9.504 798 HB2 MET 100 HB2 MET 100 7.660 3.998 -7.267 799 HB3 MET 100 HB3 MET 100 6.511 4.001 -8.600 800 HG2 MET 100 HG2 MET 100 6.701 1.545 -8.720 801 HG3 MET 100 HG3 MET 100 7.761 1.589 -7.317 802 HE1 MET 100 HE1 MET 100 5.377 2.796 -4.481 803 HE2 MET 100 HE2 MET 100 6.493 3.758 -5.450 804 HE3 MET 100 HE3 MET 100 6.977 2.166 -4.870 805 H ALA 101 H ALA 101 10.379 2.144 -10.197 806 HA ALA 101 HA ALA 101 11.778 1.803 -7.640 807 HB1 ALA 101 HB1 ALA 101 12.859 -0.139 -8.660 808 HB2 ALA 101 HB2 ALA 101 12.020 0.186 -10.176 809 HB3 ALA 101 HB3 ALA 101 11.103 -0.267 -8.741 810 H GLY 102 H GLY 102 12.696 3.956 -7.828 811 HA2 GLY 102 HA2 GLY 102 15.372 3.845 -8.649 812 HA3 GLY 102 HA3 GLY 102 14.464 4.680 -9.898 813 H ALA 103 H ALA 103 13.552 4.927 -6.535 814 HA ALA 103 HA ALA 103 14.007 7.796 -6.685 815 HB1 ALA 103 HB1 ALA 103 12.664 7.934 -4.665 816 HB2 ALA 103 HB2 ALA 103 12.649 6.176 -4.537 817 HB3 ALA 103 HB3 ALA 103 11.841 6.967 -5.889 818 H LEU 104 H LEU 104 15.585 5.063 -5.460 819 HA LEU 104 HA LEU 104 16.933 6.586 -3.373 820 HB2 LEU 104 HB2 LEU 104 18.054 4.186 -3.098 821 HB3 LEU 104 HB3 LEU 104 16.528 4.619 -2.360 822 HG LEU 104 HG LEU 104 15.401 3.573 -4.396 823 HD11 LEU 104 HD11 LEU 104 17.385 3.524 -5.845 824 HD12 LEU 104 HD12 LEU 104 16.661 1.929 -5.640 825 HD13 LEU 104 HD13 LEU 104 18.129 2.350 -4.760 826 HD21 LEU 104 HD21 LEU 104 15.439 2.525 -2.195 827 HD22 LEU 104 HD22 LEU 104 17.015 1.816 -2.551 828 HD23 LEU 104 HD23 LEU 104 15.596 1.318 -3.472 829 H SER 105 H SER 105 17.608 4.998 -6.435 830 HA SER 105 HA SER 105 19.313 5.215 -7.918 831 HB2 SER 105 HB2 SER 105 18.829 7.646 -7.566 832 HB3 SER 105 HB3 SER 105 20.054 7.671 -6.299 833 HG SER 105 HG SER 105 21.466 7.949 -7.807 834 H THR 106 H THR 106 19.653 3.592 -5.612 835 HA THR 106 HA THR 106 22.226 4.048 -4.444 836 HB THR 106 HB THR 106 20.580 1.519 -4.325 837 HG1 THR 106 HG1 THR 106 20.440 3.878 -2.712 838 HG21 THR 106 HG21 THR 106 21.678 1.255 -2.133 839 HG22 THR 106 HG22 THR 106 22.625 2.710 -2.442 840 HG23 THR 106 HG23 THR 106 22.843 1.283 -3.456 841 H THR 107 H THR 107 21.031 2.229 -7.174 842 HA THR 107 HA THR 107 23.244 0.429 -7.345 843 HB THR 107 HB THR 107 21.559 1.153 -9.709 844 HG1 THR 107 HG1 THR 107 20.742 -0.572 -7.584 845 HG21 THR 107 HG21 THR 107 23.326 -0.507 -9.999 846 HG22 THR 107 HG22 THR 107 21.735 -1.255 -10.158 847 HG23 THR 107 HG23 THR 107 22.661 -1.457 -8.671 848 H LYS 108 H LYS 108 24.949 0.463 -8.829 849 HA LYS 108 HA LYS 108 25.499 2.961 -10.211 850 HB2 LYS 108 HB2 LYS 108 26.662 2.492 -7.869 851 HB3 LYS 108 HB3 LYS 108 27.716 1.489 -8.860 852 HG2 LYS 108 HG2 LYS 108 28.611 3.734 -8.556 853 HG3 LYS 108 HG3 LYS 108 28.252 3.396 -10.253 854 HD2 LYS 108 HD2 LYS 108 27.456 5.583 -9.758 855 HD3 LYS 108 HD3 LYS 108 26.061 4.536 -9.941 856 HE2 LYS 108 HE2 LYS 108 25.804 4.376 -7.557 857 HE3 LYS 108 HE3 LYS 108 27.288 5.287 -7.295 858 HZ1 LYS 108 HZ1 LYS 108 24.728 6.272 -8.419 859 HZ2 LYS 108 HZ2 LYS 108 26.169 7.157 -8.510 860 HZ3 LYS 108 HZ3 LYS 108 25.502 6.784 -6.996 861 H ALA 109 H ALA 109 27.250 2.674 -11.813 862 HA ALA 109 HA ALA 109 27.342 -0.067 -12.894 863 HB1 ALA 109 HB1 ALA 109 27.557 0.920 -15.123 864 HB2 ALA 109 HB2 ALA 109 27.455 2.535 -14.421 865 HB3 ALA 109 HB3 ALA 109 26.070 1.447 -14.333 866 H ARG 110 H ARG 110 29.117 3.015 -13.010 867 HA ARG 110 HA ARG 110 31.294 3.558 -13.063 868 HB2 ARG 110 HB2 ARG 110 31.541 1.019 -11.452 869 HB3 ARG 110 HB3 ARG 110 32.808 2.219 -11.647 870 HG2 ARG 110 HG2 ARG 110 31.353 3.907 -10.613 871 HG3 ARG 110 HG3 ARG 110 30.131 2.662 -10.351 872 HD2 ARG 110 HD2 ARG 110 32.932 2.603 -9.243 873 HD3 ARG 110 HD3 ARG 110 31.505 3.122 -8.349 874 HE ARG 110 HE ARG 110 31.215 0.488 -9.447 875 HH11 ARG 110 HH11 ARG 110 32.587 2.318 -6.786 876 HH12 ARG 110 HH12 ARG 110 32.572 0.966 -5.690 877 HH21 ARG 110 HH21 ARG 110 31.189 -1.278 -8.009 878 HH22 ARG 110 HH22 ARG 110 31.772 -1.077 -6.380 879 H HIS 111 H HIS 111 33.659 2.294 -13.347 880 HA HIS 111 HA HIS 111 33.595 0.235 -15.318 881 HB2 HIS 111 HB2 HIS 111 34.549 1.563 -17.185 882 HB3 HIS 111 HB3 HIS 111 32.898 2.027 -16.803 883 HD1 HIS 111 HD1 HIS 111 36.366 3.331 -16.967 884 HD2 HIS 111 HD2 HIS 111 32.649 4.606 -15.613 885 HE1 HIS 111 HE1 HIS 111 36.574 5.817 -16.649 886 HE2 HIS 111 HE2 HIS 111 34.276 6.588 -15.959 887 H TYR 112 H TYR 112 35.887 0.156 -16.410 888 HA TYR 112 HA TYR 112 37.836 0.372 -14.262 889 HB2 TYR 112 HB2 TYR 112 37.859 -0.945 -16.972 890 HB3 TYR 112 HB3 TYR 112 39.331 -0.763 -16.023 891 HD1 TYR 112 HD1 TYR 112 39.646 -2.011 -13.961 892 HD2 TYR 112 HD2 TYR 112 36.126 -2.499 -16.300 893 HE1 TYR 112 HE1 TYR 112 39.125 -4.077 -12.733 894 HE2 TYR 112 HE2 TYR 112 35.592 -4.559 -15.074 895 HH TYR 112 HH TYR 112 36.847 -6.301 -13.799 896 HA PRO 113 HA PRO 113 39.774 4.041 -15.738 897 HB2 PRO 113 HB2 PRO 113 42.414 3.532 -15.317 898 HB3 PRO 113 HB3 PRO 113 41.278 3.895 -14.011 899 HG2 PRO 113 HG2 PRO 113 42.302 1.244 -14.951 900 HG3 PRO 113 HG3 PRO 113 42.076 1.835 -13.293 901 HD2 PRO 113 HD2 PRO 113 40.311 0.183 -14.498 902 HD3 PRO 113 HD3 PRO 113 39.808 1.410 -13.318 903 H LEU 114 H LEU 114 41.295 4.897 -17.307 904 HA LEU 114 HA LEU 114 41.529 3.097 -19.623 905 HB2 LEU 114 HB2 LEU 114 40.063 5.133 -19.810 906 HB3 LEU 114 HB3 LEU 114 41.496 6.118 -19.603 907 HG LEU 114 HG LEU 114 42.439 5.101 -21.677 908 HD11 LEU 114 HD11 LEU 114 39.689 3.887 -21.898 909 HD12 LEU 114 HD12 LEU 114 41.208 3.015 -21.690 910 HD13 LEU 114 HD13 LEU 114 40.901 3.909 -23.180 911 HD21 LEU 114 HD21 LEU 114 39.771 6.469 -21.966 912 HD22 LEU 114 HD22 LEU 114 41.009 6.353 -23.216 913 HD23 LEU 114 HD23 LEU 114 41.329 7.263 -21.740 914 H GLU 115 H GLU 115 43.422 3.426 -17.349 915 HA GLU 115 HA GLU 115 45.716 4.835 -17.987 916 HB2 GLU 115 HB2 GLU 115 45.520 2.102 -16.713 917 HB3 GLU 115 HB3 GLU 115 46.957 3.112 -16.707 918 HG2 GLU 115 HG2 GLU 115 45.676 4.844 -15.487 919 HG3 GLU 115 HG3 GLU 115 44.320 3.721 -15.401 920 H HIS 116 H HIS 116 46.907 4.821 -19.747 921 HA HIS 116 HA HIS 116 46.924 2.384 -21.405 922 HB2 HIS 116 HB2 HIS 116 45.629 4.496 -22.188 923 HB3 HIS 116 HB3 HIS 116 47.223 5.170 -22.505 924 HD1 HIS 116 HD1 HIS 116 47.802 4.962 -24.886 925 HD2 HIS 116 HD2 HIS 116 45.540 1.737 -23.551 926 HE1 HIS 116 HE1 HIS 116 47.497 3.467 -26.889 927 HE2 HIS 116 HE2 HIS 116 46.294 1.428 -26.005 928 H HIS 117 H HIS 117 48.874 1.484 -21.090 929 HA HIS 117 HA HIS 117 51.217 3.272 -21.127 930 HB2 HIS 117 HB2 HIS 117 50.899 2.228 -18.931 931 HB3 HIS 117 HB3 HIS 117 50.907 0.634 -19.676 932 HD1 HIS 117 HD1 HIS 117 53.068 -0.513 -19.367 933 HD2 HIS 117 HD2 HIS 117 53.548 3.611 -19.689 934 HE1 HIS 117 HE1 HIS 117 55.536 -0.092 -19.128 935 HE2 HIS 117 HE2 HIS 117 55.812 2.409 -19.306 936 H HIS 118 H HIS 118 52.438 3.094 -22.828 937 HA HIS 118 HA HIS 118 52.991 0.415 -23.909 938 HB2 HIS 118 HB2 HIS 118 52.248 2.896 -25.435 939 HB3 HIS 118 HB3 HIS 118 53.320 1.710 -26.167 940 HD1 HIS 118 HD1 HIS 118 50.153 2.581 -26.740 941 HD2 HIS 118 HD2 HIS 118 51.719 -1.021 -25.363 942 HE1 HIS 118 HE1 HIS 118 48.448 0.829 -27.328 943 HE2 HIS 118 HE2 HIS 118 49.505 -1.359 -26.665 944 H HIS 119 H HIS 119 54.954 0.965 -25.655 945 HA HIS 119 HA HIS 119 57.083 1.670 -26.031 946 HB2 HIS 119 HB2 HIS 119 56.445 3.733 -23.915 947 HB3 HIS 119 HB3 HIS 119 57.968 3.673 -24.792 948 HD1 HIS 119 HD1 HIS 119 57.828 5.734 -26.208 949 HD2 HIS 119 HD2 HIS 119 54.364 3.443 -26.399 950 HE1 HIS 119 HE1 HIS 119 56.392 6.813 -27.966 951 HE2 HIS 119 HE2 HIS 119 54.213 5.555 -27.878 952 H HIS 120 H HIS 120 56.275 -0.316 -23.951 953 HA HIS 120 HA HIS 120 58.904 -0.740 -22.864 954 HB2 HIS 120 HB2 HIS 120 57.517 0.844 -21.261 955 HB3 HIS 120 HB3 HIS 120 56.732 -0.658 -20.792 956 HD1 HIS 120 HD1 HIS 120 57.921 0.171 -18.423 957 HD2 HIS 120 HD2 HIS 120 60.395 -1.378 -21.395 958 HE1 HIS 120 HE1 HIS 120 60.073 -0.437 -17.274 959 HE2 HIS 120 HE2 HIS 120 61.480 -1.543 -19.046 960 H HIS 121 H HIS 121 58.824 -2.855 -21.483 961 HA HIS 121 HA HIS 121 57.035 -4.692 -22.908 962 HB2 HIS 121 HB2 HIS 121 59.488 -5.004 -23.227 963 HB3 HIS 121 HB3 HIS 121 59.645 -5.293 -21.501 964 HD1 HIS 121 HD1 HIS 121 58.369 -6.861 -24.658 965 HD2 HIS 121 HD2 HIS 121 58.931 -7.839 -20.657 966 HE1 HIS 121 HE1 HIS 121 58.089 -9.355 -24.523 967 HE2 HIS 121 HE2 HIS 121 58.691 -9.935 -22.150 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -31.487 -5.152 9.539 2 H2 MET 1 H2 MET 1 -31.961 -3.641 8.931 3 H3 MET 1 H3 MET 1 -30.897 -3.731 10.245 4 HA MET 1 HA MET 1 -29.252 -4.823 8.839 5 HB2 MET 1 HB2 MET 1 -31.239 -4.152 6.657 6 HB3 MET 1 HB3 MET 1 -29.589 -4.697 6.381 7 HG2 MET 1 HG2 MET 1 -30.098 -6.801 7.512 8 HG3 MET 1 HG3 MET 1 -31.750 -6.251 7.779 9 HE1 MET 1 HE1 MET 1 -30.949 -9.032 6.377 10 HE2 MET 1 HE2 MET 1 -32.149 -9.070 5.083 11 HE3 MET 1 HE3 MET 1 -32.603 -8.518 6.697 12 H GLU 2 H GLU 2 -27.900 -3.289 9.400 13 HA GLU 2 HA GLU 2 -28.458 -0.505 8.682 14 HB2 GLU 2 HB2 GLU 2 -27.909 -1.010 11.019 15 HB3 GLU 2 HB3 GLU 2 -26.379 -1.712 10.516 16 HG2 GLU 2 HG2 GLU 2 -25.635 0.463 9.711 17 HG3 GLU 2 HG3 GLU 2 -27.176 1.173 10.197 18 H ASN 3 H ASN 3 -26.265 -3.122 8.017 19 HA ASN 3 HA ASN 3 -24.526 -3.399 6.594 20 HB2 ASN 3 HB2 ASN 3 -25.872 -1.033 5.312 21 HB3 ASN 3 HB3 ASN 3 -24.382 -1.700 4.650 22 HD21 ASN 3 HD21 ASN 3 -24.397 -3.746 3.748 23 HD22 ASN 3 HD22 ASN 3 -25.869 -4.533 3.280 24 H SER 4 H SER 4 -22.677 -1.883 5.425 25 HA SER 4 HA SER 4 -21.762 0.146 7.319 26 HB2 SER 4 HB2 SER 4 -20.147 -2.290 6.526 27 HB3 SER 4 HB3 SER 4 -19.490 -0.888 7.369 28 HG SER 4 HG SER 4 -21.127 -1.315 9.010 29 H GLY 5 H GLY 5 -19.548 1.060 6.389 30 HA2 GLY 5 HA2 GLY 5 -19.680 1.122 3.445 31 HA3 GLY 5 HA3 GLY 5 -19.759 2.631 4.342 32 H ALA 6 H ALA 6 -17.779 1.402 2.423 33 HA ALA 6 HA ALA 6 -15.417 2.235 3.897 34 HB1 ALA 6 HB1 ALA 6 -15.591 -0.453 2.533 35 HB2 ALA 6 HB2 ALA 6 -15.441 -0.168 4.267 36 HB3 ALA 6 HB3 ALA 6 -14.121 0.272 3.182 37 H TYR 7 H TYR 7 -13.919 3.232 2.598 38 HA TYR 7 HA TYR 7 -14.092 3.019 -0.282 39 HB2 TYR 7 HB2 TYR 7 -14.462 5.522 -0.538 40 HB3 TYR 7 HB3 TYR 7 -15.865 4.574 -0.064 41 HD1 TYR 7 HD1 TYR 7 -13.187 6.768 1.299 42 HD2 TYR 7 HD2 TYR 7 -17.077 5.141 1.865 43 HE1 TYR 7 HE1 TYR 7 -13.525 8.264 3.220 44 HE2 TYR 7 HE2 TYR 7 -17.424 6.629 3.793 45 HH TYR 7 HH TYR 7 -15.199 9.199 4.558 46 H THR 8 H THR 8 -12.081 2.725 1.886 47 HA THR 8 HA THR 8 -10.231 4.919 1.337 48 HB THR 8 HB THR 8 -8.810 3.743 3.072 49 HG1 THR 8 HG1 THR 8 -10.410 2.323 4.404 50 HG21 THR 8 HG21 THR 8 -10.181 4.515 4.963 51 HG22 THR 8 HG22 THR 8 -11.582 4.626 3.898 52 HG23 THR 8 HG23 THR 8 -10.191 5.680 3.640 53 H PHE 9 H PHE 9 -7.831 4.122 1.236 54 HA PHE 9 HA PHE 9 -7.402 2.648 -1.105 55 HB2 PHE 9 HB2 PHE 9 -5.768 4.236 -0.121 56 HB3 PHE 9 HB3 PHE 9 -5.483 3.107 1.196 57 HD1 PHE 9 HD2 PHE 9 -4.931 3.777 -2.364 58 HD2 PHE 9 HD1 PHE 9 -4.144 1.135 0.876 59 HE1 PHE 9 HE2 PHE 9 -3.150 2.699 -3.679 60 HE2 PHE 9 HE1 PHE 9 -2.368 0.050 -0.433 61 HZ PHE 9 HZ PHE 9 -1.868 0.831 -2.714 62 H GLU 10 H GLU 10 -7.557 1.682 2.265 63 HA GLU 10 HA GLU 10 -6.562 -0.928 2.036 64 HB2 GLU 10 HB2 GLU 10 -7.452 0.626 4.088 65 HB3 GLU 10 HB3 GLU 10 -8.785 -0.508 3.940 66 HG2 GLU 10 HG2 GLU 10 -5.895 -1.232 4.368 67 HG3 GLU 10 HG3 GLU 10 -7.156 -1.232 5.597 68 H THR 11 H THR 11 -9.756 0.446 1.503 69 HA THR 11 HA THR 11 -11.265 -1.899 1.339 70 HB THR 11 HB THR 11 -11.727 0.629 -0.258 71 HG1 THR 11 HG1 THR 11 -11.597 0.313 2.389 72 HG21 THR 11 HG21 THR 11 -14.094 0.012 -0.058 73 HG22 THR 11 HG22 THR 11 -13.639 -1.458 0.803 74 HG23 THR 11 HG23 THR 11 -13.174 -1.245 -0.884 75 H ILE 12 H ILE 12 -9.276 -0.266 -1.067 76 HA ILE 12 HA ILE 12 -10.117 -1.775 -3.310 77 HB ILE 12 HB ILE 12 -7.474 -0.376 -2.859 78 HG12 ILE 12 HG12 ILE 12 -9.379 1.152 -2.643 79 HG13 ILE 12 HG13 ILE 12 -8.481 1.485 -4.119 80 HG21 ILE 12 HG21 ILE 12 -7.325 -1.979 -4.665 81 HG22 ILE 12 HG22 ILE 12 -7.323 -0.338 -5.313 82 HG23 ILE 12 HG23 ILE 12 -8.784 -1.320 -5.402 83 HD11 ILE 12 HD11 ILE 12 -10.867 1.616 -4.506 84 HD12 ILE 12 HD12 ILE 12 -11.071 -0.038 -3.928 85 HD13 ILE 12 HD13 ILE 12 -10.168 0.272 -5.412 86 H ALA 13 H ALA 13 -7.380 -2.117 -1.075 87 HA ALA 13 HA ALA 13 -6.337 -4.453 -2.346 88 HB1 ALA 13 HB1 ALA 13 -4.892 -4.621 -0.376 89 HB2 ALA 13 HB2 ALA 13 -5.834 -3.362 0.423 90 HB3 ALA 13 HB3 ALA 13 -4.908 -2.984 -1.031 91 H ARG 14 H ARG 14 -8.659 -3.825 0.150 92 HA ARG 14 HA ARG 14 -8.867 -6.358 1.341 93 HB2 ARG 14 HB2 ARG 14 -9.933 -4.046 1.944 94 HB3 ARG 14 HB3 ARG 14 -11.233 -4.561 0.881 95 HG2 ARG 14 HG2 ARG 14 -11.935 -5.137 3.030 96 HG3 ARG 14 HG3 ARG 14 -11.370 -6.653 2.321 97 HD2 ARG 14 HD2 ARG 14 -9.315 -6.538 3.512 98 HD3 ARG 14 HD3 ARG 14 -9.643 -4.886 4.033 99 HE ARG 14 HE ARG 14 -11.361 -7.121 4.908 100 HH11 ARG 14 HH11 ARG 14 -9.238 -4.408 5.643 101 HH12 ARG 14 HH12 ARG 14 -9.585 -4.462 7.350 102 HH21 ARG 14 HH21 ARG 14 -11.802 -7.161 7.158 103 HH22 ARG 14 HH22 ARG 14 -11.020 -6.019 8.213 104 H GLU 15 H GLU 15 -10.327 -4.951 -1.511 105 HA GLU 15 HA GLU 15 -12.360 -6.766 -2.029 106 HB2 GLU 15 HB2 GLU 15 -12.235 -4.668 -3.189 107 HB3 GLU 15 HB3 GLU 15 -10.681 -5.086 -3.893 108 HG2 GLU 15 HG2 GLU 15 -12.299 -5.297 -5.598 109 HG3 GLU 15 HG3 GLU 15 -11.830 -6.928 -5.130 110 H TRP 16 H TRP 16 -9.087 -6.773 -3.506 111 HA TRP 16 HA TRP 16 -9.741 -9.216 -4.864 112 HB2 TRP 16 HB2 TRP 16 -7.379 -9.042 -5.762 113 HB3 TRP 16 HB3 TRP 16 -8.463 -7.717 -6.161 114 HD1 TRP 16 HD1 TRP 16 -7.845 -5.327 -5.288 115 HE1 TRP 16 HE1 TRP 16 -5.750 -4.355 -4.160 116 HE3 TRP 16 HE3 TRP 16 -5.483 -9.695 -4.066 117 HZ2 TRP 16 HZ2 TRP 16 -3.403 -5.315 -2.910 118 HZ3 TRP 16 HZ3 TRP 16 -3.318 -9.576 -2.904 119 HH2 TRP 16 HH2 TRP 16 -2.310 -7.435 -2.339 120 H HIS 17 H HIS 17 -7.814 -8.377 -2.024 121 HA HIS 17 HA HIS 17 -6.444 -10.863 -1.937 122 HB2 HIS 17 HB2 HIS 17 -5.588 -8.933 -0.707 123 HB3 HIS 17 HB3 HIS 17 -7.017 -8.939 0.323 124 HD1 HIS 17 HD1 HIS 17 -4.001 -11.111 -0.463 125 HD2 HIS 17 HD2 HIS 17 -6.871 -10.580 2.503 126 HE1 HIS 17 HE1 HIS 17 -3.283 -12.574 1.449 127 HE2 HIS 17 HE2 HIS 17 -5.190 -12.455 3.091 128 H GLU 18 H GLU 18 -9.565 -9.815 -0.700 129 HA GLU 18 HA GLU 18 -9.838 -12.102 1.026 130 HB2 GLU 18 HB2 GLU 18 -10.991 -9.659 1.032 131 HB3 GLU 18 HB3 GLU 18 -12.262 -10.600 0.260 132 HG2 GLU 18 HG2 GLU 18 -12.639 -10.521 2.629 133 HG3 GLU 18 HG3 GLU 18 -12.221 -12.167 2.152 134 H SER 19 H SER 19 -10.273 -11.536 -2.271 135 HA SER 19 HA SER 19 -11.906 -13.967 -2.530 136 HB2 SER 19 HB2 SER 19 -12.300 -13.167 -4.876 137 HB3 SER 19 HB3 SER 19 -12.927 -12.074 -3.640 138 HG SER 19 HG SER 19 -11.841 -10.691 -4.852 139 H ASN 20 H ASN 20 -8.908 -13.448 -2.110 140 HA ASN 20 HA ASN 20 -7.784 -14.596 -4.547 141 HB2 ASN 20 HB2 ASN 20 -6.802 -12.573 -3.267 142 HB3 ASN 20 HB3 ASN 20 -6.223 -13.762 -2.106 143 HD21 ASN 20 HD21 ASN 20 -6.018 -12.651 -5.416 144 HD22 ASN 20 HD22 ASN 20 -4.485 -13.387 -5.768 145 H LYS 21 H LYS 21 -5.533 -15.759 -2.996 146 HA LYS 21 HA LYS 21 -6.147 -18.391 -3.200 147 HB2 LYS 21 HB2 LYS 21 -3.905 -17.154 -2.730 148 HB3 LYS 21 HB3 LYS 21 -4.270 -17.479 -1.044 149 HG2 LYS 21 HG2 LYS 21 -4.157 -19.635 -3.132 150 HG3 LYS 21 HG3 LYS 21 -2.751 -19.118 -2.206 151 HD2 LYS 21 HD2 LYS 21 -3.810 -19.769 -0.143 152 HD3 LYS 21 HD3 LYS 21 -5.312 -20.140 -0.990 153 HE2 LYS 21 HE2 LYS 21 -2.670 -21.540 -1.383 154 HE3 LYS 21 HE3 LYS 21 -4.047 -22.169 -0.476 155 HZ1 LYS 21 HZ1 LYS 21 -5.350 -22.012 -2.574 156 HZ2 LYS 21 HZ2 LYS 21 -4.087 -23.138 -2.625 157 HZ3 LYS 21 HZ3 LYS 21 -3.910 -21.638 -3.398 158 H ARG 22 H ARG 22 -6.137 -16.653 -0.048 159 HA ARG 22 HA ARG 22 -8.274 -18.405 0.813 160 HB2 ARG 22 HB2 ARG 22 -7.077 -19.047 2.908 161 HB3 ARG 22 HB3 ARG 22 -6.436 -19.771 1.444 162 HG2 ARG 22 HG2 ARG 22 -4.488 -19.184 2.421 163 HG3 ARG 22 HG3 ARG 22 -4.818 -17.673 1.575 164 HD2 ARG 22 HD2 ARG 22 -5.743 -16.703 3.585 165 HD3 ARG 22 HD3 ARG 22 -5.567 -18.234 4.445 166 HE ARG 22 HE ARG 22 -3.153 -16.999 3.340 167 HH11 ARG 22 HH11 ARG 22 -5.122 -17.738 6.157 168 HH12 ARG 22 HH12 ARG 22 -3.829 -17.440 7.286 169 HH21 ARG 22 HH21 ARG 22 -1.466 -16.626 4.824 170 HH22 ARG 22 HH22 ARG 22 -1.757 -16.801 6.530 171 H TRP 23 H TRP 23 -9.526 -17.647 2.418 172 HA TRP 23 HA TRP 23 -9.825 -14.908 2.727 173 HB2 TRP 23 HB2 TRP 23 -10.772 -16.633 4.957 174 HB3 TRP 23 HB3 TRP 23 -11.644 -15.415 4.036 175 HD1 TRP 23 HD1 TRP 23 -11.906 -18.890 4.648 176 HE1 TRP 23 HE1 TRP 23 -12.943 -20.198 2.685 177 HE3 TRP 23 HE3 TRP 23 -11.368 -15.384 0.968 178 HZ2 TRP 23 HZ2 TRP 23 -13.456 -19.790 -0.053 179 HZ3 TRP 23 HZ3 TRP 23 -12.158 -15.923 -1.296 180 HH2 TRP 23 HH2 TRP 23 -13.176 -18.082 -1.790 181 H SER 24 H SER 24 -9.131 -13.409 4.190 182 HA SER 24 HA SER 24 -7.380 -14.357 6.368 183 HB2 SER 24 HB2 SER 24 -6.740 -11.981 4.610 184 HB3 SER 24 HB3 SER 24 -5.723 -12.693 5.861 185 HG SER 24 HG SER 24 -6.500 -14.476 3.923 186 H GLU 25 H GLU 25 -10.175 -13.137 6.001 187 HA GLU 25 HA GLU 25 -10.392 -10.500 6.612 188 HB2 GLU 25 HB2 GLU 25 -12.588 -11.020 7.616 189 HB3 GLU 25 HB3 GLU 25 -12.317 -11.843 6.086 190 HG2 GLU 25 HG2 GLU 25 -11.987 -13.917 7.135 191 HG3 GLU 25 HG3 GLU 25 -11.810 -13.174 8.724 192 H ASP 26 H ASP 26 -9.853 -13.084 8.985 193 HA ASP 26 HA ASP 26 -10.190 -11.363 11.238 194 HB2 ASP 26 HB2 ASP 26 -10.557 -13.745 11.494 195 HB3 ASP 26 HB3 ASP 26 -8.900 -14.088 11.003 196 H HIS 27 H HIS 27 -7.354 -12.800 9.684 197 HA HIS 27 HA HIS 27 -5.490 -11.542 11.424 198 HB2 HIS 27 HB2 HIS 27 -5.193 -13.010 8.809 199 HB3 HIS 27 HB3 HIS 27 -3.816 -12.336 9.682 200 HD1 HIS 27 HD1 HIS 27 -5.447 -15.433 9.304 201 HD2 HIS 27 HD2 HIS 27 -4.085 -13.284 12.586 202 HE1 HIS 27 HE1 HIS 27 -5.150 -17.127 11.143 203 HE2 HIS 27 HE2 HIS 27 -4.277 -15.818 13.113 204 H ARG 28 H ARG 28 -7.024 -10.669 8.500 205 HA ARG 28 HA ARG 28 -5.321 -8.784 7.400 206 HB2 ARG 28 HB2 ARG 28 -7.432 -9.586 6.367 207 HB3 ARG 28 HB3 ARG 28 -8.338 -8.619 7.522 208 HG2 ARG 28 HG2 ARG 28 -8.214 -7.485 5.397 209 HG3 ARG 28 HG3 ARG 28 -7.302 -6.588 6.613 210 HD2 ARG 28 HD2 ARG 28 -5.228 -7.599 5.780 211 HD3 ARG 28 HD3 ARG 28 -6.154 -8.463 4.555 212 HE ARG 28 HE ARG 28 -6.557 -5.625 4.465 213 HH11 ARG 28 HH11 ARG 28 -4.445 -8.227 3.451 214 HH12 ARG 28 HH12 ARG 28 -3.828 -7.360 2.084 215 HH21 ARG 28 HH21 ARG 28 -5.758 -4.482 2.687 216 HH22 ARG 28 HH22 ARG 28 -4.587 -5.240 1.640 217 H SER 29 H SER 29 -7.514 -8.461 10.141 218 HA SER 29 HA SER 29 -7.445 -5.676 10.413 219 HB2 SER 29 HB2 SER 29 -7.656 -7.741 12.620 220 HB3 SER 29 HB3 SER 29 -8.175 -6.058 12.707 221 HG SER 29 HG SER 29 -9.667 -8.023 12.014 222 H ARG 30 H ARG 30 -5.183 -8.158 11.451 223 HA ARG 30 HA ARG 30 -3.594 -6.407 13.072 224 HB2 ARG 30 HB2 ARG 30 -2.783 -9.045 11.833 225 HB3 ARG 30 HB3 ARG 30 -2.015 -8.239 13.192 226 HG2 ARG 30 HG2 ARG 30 -4.760 -9.463 13.139 227 HG3 ARG 30 HG3 ARG 30 -3.340 -10.066 13.995 228 HD2 ARG 30 HD2 ARG 30 -3.327 -7.982 15.336 229 HD3 ARG 30 HD3 ARG 30 -4.818 -7.495 14.531 230 HE ARG 30 HE ARG 30 -4.857 -10.072 15.871 231 HH11 ARG 30 HH11 ARG 30 -5.719 -6.674 15.950 232 HH12 ARG 30 HH12 ARG 30 -6.832 -6.859 17.276 233 HH21 ARG 30 HH21 ARG 30 -6.301 -10.309 17.615 234 HH22 ARG 30 HH22 ARG 30 -7.155 -8.917 18.221 235 H VAL 31 H VAL 31 -3.415 -7.702 9.812 236 HA VAL 31 HA VAL 31 -0.968 -6.522 9.056 237 HB VAL 31 HB VAL 31 -3.299 -7.247 7.271 238 HG11 VAL 31 HG11 VAL 31 -0.362 -6.950 6.645 239 HG12 VAL 31 HG12 VAL 31 -1.641 -5.834 6.162 240 HG13 VAL 31 HG13 VAL 31 -1.612 -7.475 5.515 241 HG21 VAL 31 HG21 VAL 31 -2.670 -9.156 8.611 242 HG22 VAL 31 HG22 VAL 31 -0.969 -8.911 8.216 243 HG23 VAL 31 HG23 VAL 31 -2.104 -9.393 6.956 244 H LEU 32 H LEU 32 -4.303 -5.431 8.889 245 HA LEU 32 HA LEU 32 -4.017 -3.109 7.394 246 HB2 LEU 32 HB2 LEU 32 -6.153 -4.140 8.119 247 HB3 LEU 32 HB3 LEU 32 -5.842 -3.599 9.753 248 HG LEU 32 HG LEU 32 -6.040 -1.593 7.527 249 HD11 LEU 32 HD11 LEU 32 -8.447 -1.407 8.020 250 HD12 LEU 32 HD12 LEU 32 -8.332 -2.844 9.037 251 HD13 LEU 32 HD13 LEU 32 -8.028 -2.964 7.303 252 HD21 LEU 32 HD21 LEU 32 -6.691 -1.519 10.475 253 HD22 LEU 32 HD22 LEU 32 -6.867 -0.172 9.349 254 HD23 LEU 32 HD23 LEU 32 -5.266 -0.817 9.708 255 H ARG 33 H ARG 33 -3.791 -3.536 10.914 256 HA ARG 33 HA ARG 33 -3.161 -0.874 11.540 257 HB2 ARG 33 HB2 ARG 33 -3.874 -2.706 13.132 258 HB3 ARG 33 HB3 ARG 33 -2.229 -3.319 13.048 259 HG2 ARG 33 HG2 ARG 33 -1.387 -1.228 13.965 260 HG3 ARG 33 HG3 ARG 33 -3.031 -0.584 14.017 261 HD2 ARG 33 HD2 ARG 33 -3.584 -2.623 15.455 262 HD3 ARG 33 HD3 ARG 33 -1.843 -2.828 15.621 263 HE ARG 33 HE ARG 33 -1.782 -0.614 16.660 264 HH11 ARG 33 HH11 ARG 33 -4.879 -2.246 16.462 265 HH12 ARG 33 HH12 ARG 33 -5.584 -1.352 17.769 266 HH21 ARG 33 HH21 ARG 33 -2.709 0.561 18.391 267 HH22 ARG 33 HH22 ARG 33 -4.349 0.246 18.874 268 H TYR 34 H TYR 34 -1.162 -3.638 10.711 269 HA TYR 34 HA TYR 34 1.354 -2.507 11.225 270 HB2 TYR 34 HB2 TYR 34 0.957 -4.923 10.871 271 HB3 TYR 34 HB3 TYR 34 0.603 -4.612 9.177 272 HD1 TYR 34 HD1 TYR 34 3.249 -4.776 11.717 273 HD2 TYR 34 HD2 TYR 34 2.386 -4.174 7.593 274 HE1 TYR 34 HE1 TYR 34 5.629 -5.074 11.179 275 HE2 TYR 34 HE2 TYR 34 4.765 -4.470 7.047 276 HH TYR 34 HH TYR 34 6.948 -4.263 8.164 277 H LEU 35 H LEU 35 -0.557 -2.646 8.202 278 HA LEU 35 HA LEU 35 1.508 -1.359 6.713 279 HB2 LEU 35 HB2 LEU 35 -0.115 -1.325 4.855 280 HB3 LEU 35 HB3 LEU 35 0.127 -2.909 5.555 281 HG LEU 35 HG LEU 35 -2.064 -2.278 6.901 282 HD11 LEU 35 HD11 LEU 35 -2.227 -0.004 6.011 283 HD12 LEU 35 HD12 LEU 35 -3.620 -0.986 5.559 284 HD13 LEU 35 HD13 LEU 35 -2.352 -0.659 4.379 285 HD21 LEU 35 HD21 LEU 35 -2.023 -3.161 4.023 286 HD22 LEU 35 HD22 LEU 35 -3.363 -3.386 5.147 287 HD23 LEU 35 HD23 LEU 35 -1.823 -4.194 5.439 288 H GLU 36 H GLU 36 -1.461 -0.204 8.264 289 HA GLU 36 HA GLU 36 -1.324 2.357 7.022 290 HB2 GLU 36 HB2 GLU 36 -2.836 1.372 9.433 291 HB3 GLU 36 HB3 GLU 36 -2.922 3.039 8.881 292 HG2 GLU 36 HG2 GLU 36 -3.631 2.123 6.637 293 HG3 GLU 36 HG3 GLU 36 -3.805 0.562 7.433 294 H LEU 37 H LEU 37 0.099 1.000 9.905 295 HA LEU 37 HA LEU 37 0.916 3.546 10.952 296 HB2 LEU 37 HB2 LEU 37 1.278 0.708 11.702 297 HB3 LEU 37 HB3 LEU 37 2.527 1.814 12.236 298 HG LEU 37 HG LEU 37 0.863 3.154 13.429 299 HD11 LEU 37 HD11 LEU 37 -1.062 2.781 11.993 300 HD12 LEU 37 HD12 LEU 37 -1.437 2.368 13.667 301 HD13 LEU 37 HD13 LEU 37 -1.122 1.090 12.492 302 HD21 LEU 37 HD21 LEU 37 0.321 1.546 15.178 303 HD22 LEU 37 HD22 LEU 37 1.966 1.307 14.586 304 HD23 LEU 37 HD23 LEU 37 0.676 0.215 14.077 305 H TYR 38 H TYR 38 2.551 0.917 9.181 306 HA TYR 38 HA TYR 38 5.054 2.377 9.252 307 HB2 TYR 38 HB2 TYR 38 4.256 -0.289 8.113 308 HB3 TYR 38 HB3 TYR 38 5.843 0.412 7.819 309 HD1 TYR 38 HD2 TYR 38 7.353 0.867 9.769 310 HD2 TYR 38 HD1 TYR 38 3.756 -1.374 10.148 311 HE1 TYR 38 HE2 TYR 38 8.173 -0.076 11.885 312 HE2 TYR 38 HE1 TYR 38 4.563 -2.321 12.269 313 HH TYR 38 HH TYR 38 6.804 -2.756 13.364 314 H ILE 39 H ILE 39 2.635 1.520 6.808 315 HA ILE 39 HA ILE 39 4.356 2.593 4.715 316 HB ILE 39 HB ILE 39 1.661 1.256 4.443 317 HG12 ILE 39 HG12 ILE 39 3.243 -0.288 5.436 318 HG13 ILE 39 HG13 ILE 39 2.982 -0.735 3.753 319 HG21 ILE 39 HG21 ILE 39 2.284 0.942 2.103 320 HG22 ILE 39 HG22 ILE 39 3.795 1.806 2.382 321 HG23 ILE 39 HG23 ILE 39 2.256 2.656 2.524 322 HD11 ILE 39 HD11 ILE 39 5.096 0.329 3.146 323 HD12 ILE 39 HD12 ILE 39 5.325 -0.924 4.366 324 HD13 ILE 39 HD13 ILE 39 5.354 0.777 4.833 325 H PHE 40 H PHE 40 1.590 3.532 6.572 326 HA PHE 40 HA PHE 40 1.216 5.825 4.755 327 HB2 PHE 40 HB2 PHE 40 -0.861 4.458 6.473 328 HB3 PHE 40 HB3 PHE 40 -1.137 5.918 5.530 329 HD1 PHE 40 HD1 PHE 40 -1.037 5.804 3.041 330 HD2 PHE 40 HD2 PHE 40 -0.932 2.321 5.486 331 HE1 PHE 40 HE1 PHE 40 -1.659 4.426 1.098 332 HE2 PHE 40 HE2 PHE 40 -1.548 0.939 3.547 333 HZ PHE 40 HZ PHE 40 -1.916 1.990 1.352 334 HA PRO 41 HA PRO 41 2.203 7.424 9.064 335 HB2 PRO 41 HB2 PRO 41 4.724 8.465 8.122 336 HB3 PRO 41 HB3 PRO 41 4.440 7.265 9.383 337 HG2 PRO 41 HG2 PRO 41 5.634 6.705 6.980 338 HG3 PRO 41 HG3 PRO 41 4.757 5.512 7.954 339 HD2 PRO 41 HD2 PRO 41 3.837 7.045 5.553 340 HD3 PRO 41 HD3 PRO 41 3.555 5.344 5.980 341 H HIS 42 H HIS 42 3.441 8.899 6.069 342 HA HIS 42 HA HIS 42 2.281 11.468 6.886 343 HB2 HIS 42 HB2 HIS 42 4.714 11.392 6.304 344 HB3 HIS 42 HB3 HIS 42 4.269 10.900 4.675 345 HD1 HIS 42 HD1 HIS 42 4.637 13.872 6.840 346 HD2 HIS 42 HD2 HIS 42 2.997 12.949 3.127 347 HE1 HIS 42 HE1 HIS 42 4.238 16.081 5.697 348 HE2 HIS 42 HE2 HIS 42 3.071 15.502 3.537 349 H ILE 43 H ILE 43 2.183 8.999 4.406 350 HA ILE 43 HA ILE 43 0.565 10.663 2.654 351 HB ILE 43 HB ILE 43 0.679 8.767 1.077 352 HG12 ILE 43 HG12 ILE 43 2.469 7.497 3.163 353 HG13 ILE 43 HG13 ILE 43 0.838 6.961 2.774 354 HG21 ILE 43 HG21 ILE 43 3.324 9.690 2.192 355 HG22 ILE 43 HG22 ILE 43 2.346 10.522 0.984 356 HG23 ILE 43 HG23 ILE 43 3.084 8.967 0.602 357 HD11 ILE 43 HD11 ILE 43 3.187 6.971 0.893 358 HD12 ILE 43 HD12 ILE 43 1.554 6.427 0.507 359 HD13 ILE 43 HD13 ILE 43 2.510 5.560 1.708 360 H GLY 44 H GLY 44 -0.298 9.297 5.320 361 HA2 GLY 44 HA2 GLY 44 -2.315 7.408 4.571 362 HA3 GLY 44 HA3 GLY 44 -2.116 8.146 6.153 363 H SER 45 H SER 45 -2.197 10.733 4.276 364 HA SER 45 HA SER 45 -5.086 11.076 4.593 365 HB2 SER 45 HB2 SER 45 -2.948 13.149 4.019 366 HB3 SER 45 HB3 SER 45 -4.632 13.471 4.436 367 HG SER 45 HG SER 45 -4.271 12.635 6.481 368 H SER 46 H SER 46 -3.477 9.712 2.311 369 HA SER 46 HA SER 46 -4.203 11.386 0.048 370 HB2 SER 46 HB2 SER 46 -2.857 8.675 0.151 371 HB3 SER 46 HB3 SER 46 -3.128 9.618 -1.314 372 HG SER 46 HG SER 46 -1.347 10.053 0.796 373 H ASP 47 H ASP 47 -5.901 11.095 -1.238 374 HA ASP 47 HA ASP 47 -7.812 8.994 -0.625 375 HB2 ASP 47 HB2 ASP 47 -8.651 11.269 -0.996 376 HB3 ASP 47 HB3 ASP 47 -7.925 11.297 -2.598 377 H ILE 48 H ILE 48 -8.690 7.635 -2.354 378 HA ILE 48 HA ILE 48 -6.608 6.252 -3.662 379 HB ILE 48 HB ILE 48 -8.642 5.154 -2.836 380 HG12 ILE 48 HG12 ILE 48 -9.059 3.688 -4.791 381 HG13 ILE 48 HG13 ILE 48 -8.197 4.834 -5.810 382 HG21 ILE 48 HG21 ILE 48 -10.023 6.588 -5.098 383 HG22 ILE 48 HG22 ILE 48 -10.309 6.803 -3.371 384 HG23 ILE 48 HG23 ILE 48 -10.731 5.281 -4.152 385 HD11 ILE 48 HD11 ILE 48 -7.032 3.293 -3.504 386 HD12 ILE 48 HD12 ILE 48 -6.162 4.449 -4.512 387 HD13 ILE 48 HD13 ILE 48 -6.786 2.957 -5.217 388 H ARG 49 H ARG 49 -8.595 8.886 -4.665 389 HA ARG 49 HA ARG 49 -8.261 8.390 -7.496 390 HB2 ARG 49 HB2 ARG 49 -9.371 10.753 -5.983 391 HB3 ARG 49 HB3 ARG 49 -9.352 10.618 -7.735 392 HG2 ARG 49 HG2 ARG 49 -11.104 9.226 -7.777 393 HG3 ARG 49 HG3 ARG 49 -10.561 8.337 -6.350 394 HD2 ARG 49 HD2 ARG 49 -12.694 9.550 -6.006 395 HD3 ARG 49 HD3 ARG 49 -11.419 10.037 -4.894 396 HE ARG 49 HE ARG 49 -12.506 11.621 -7.112 397 HH11 ARG 49 HH11 ARG 49 -10.321 11.336 -4.381 398 HH12 ARG 49 HH12 ARG 49 -10.073 13.053 -4.241 399 HH21 ARG 49 HH21 ARG 49 -12.219 13.888 -6.891 400 HH22 ARG 49 HH22 ARG 49 -11.148 14.506 -5.664 401 H GLN 50 H GLN 50 -6.127 9.392 -5.224 402 HA GLN 50 HA GLN 50 -4.550 10.821 -7.176 403 HB2 GLN 50 HB2 GLN 50 -5.887 12.575 -6.042 404 HB3 GLN 50 HB3 GLN 50 -5.173 12.086 -4.510 405 HG2 GLN 50 HG2 GLN 50 -4.076 14.042 -5.402 406 HG3 GLN 50 HG3 GLN 50 -2.965 12.682 -5.337 407 HE21 GLN 50 HE21 GLN 50 -2.203 11.784 -7.251 408 HE22 GLN 50 HE22 GLN 50 -2.424 12.549 -8.789 409 H LEU 51 H LEU 51 -3.548 8.729 -6.872 410 HA LEU 51 HA LEU 51 -1.890 8.465 -4.510 411 HB2 LEU 51 HB2 LEU 51 -2.604 6.822 -6.836 412 HB3 LEU 51 HB3 LEU 51 -0.935 6.640 -6.314 413 HG LEU 51 HG LEU 51 -2.314 4.929 -5.300 414 HD11 LEU 51 HD11 LEU 51 -0.477 5.777 -3.966 415 HD12 LEU 51 HD12 LEU 51 -1.840 5.341 -2.934 416 HD13 LEU 51 HD13 LEU 51 -1.515 7.035 -3.301 417 HD21 LEU 51 HD21 LEU 51 -3.939 7.203 -4.176 418 HD22 LEU 51 HD22 LEU 51 -4.128 5.501 -3.756 419 HD23 LEU 51 HD23 LEU 51 -4.463 6.048 -5.399 420 H LYS 52 H LYS 52 0.524 8.209 -4.863 421 HA LYS 52 HA LYS 52 1.368 10.357 -6.687 422 HB2 LYS 52 HB2 LYS 52 2.340 9.711 -3.904 423 HB3 LYS 52 HB3 LYS 52 3.220 10.763 -4.999 424 HG2 LYS 52 HG2 LYS 52 2.010 12.197 -3.608 425 HG3 LYS 52 HG3 LYS 52 1.119 12.166 -5.127 426 HD2 LYS 52 HD2 LYS 52 -0.458 10.559 -4.162 427 HD3 LYS 52 HD3 LYS 52 0.435 10.605 -2.639 428 HE2 LYS 52 HE2 LYS 52 -0.044 12.986 -2.419 429 HE3 LYS 52 HE3 LYS 52 -0.908 12.964 -3.956 430 HZ1 LYS 52 HZ1 LYS 52 -1.668 11.468 -1.502 431 HZ2 LYS 52 HZ2 LYS 52 -2.487 11.400 -2.987 432 HZ3 LYS 52 HZ3 LYS 52 -2.442 12.852 -2.112 433 H THR 53 H THR 53 3.843 10.317 -6.941 434 HA THR 53 HA THR 53 4.581 7.751 -8.027 435 HB THR 53 HB THR 53 6.681 9.076 -8.672 436 HG1 THR 53 HG1 THR 53 6.439 11.340 -8.528 437 HG21 THR 53 HG21 THR 53 5.516 10.210 -10.512 438 HG22 THR 53 HG22 THR 53 3.980 9.992 -9.674 439 HG23 THR 53 HG23 THR 53 4.879 8.587 -10.249 440 H SER 54 H SER 54 7.358 7.942 -7.745 441 HA SER 54 HA SER 54 7.773 6.249 -5.622 442 HB2 SER 54 HB2 SER 54 9.925 7.988 -6.802 443 HB3 SER 54 HB3 SER 54 10.058 6.330 -6.209 444 HG SER 54 HG SER 54 9.853 6.794 -8.616 445 H HIS 55 H HIS 55 7.550 9.684 -5.413 446 HA HIS 55 HA HIS 55 9.491 10.083 -3.391 447 HB2 HIS 55 HB2 HIS 55 8.729 12.293 -3.179 448 HB3 HIS 55 HB3 HIS 55 8.481 11.887 -4.868 449 HD1 HIS 55 HD1 HIS 55 6.769 13.133 -1.894 450 HD2 HIS 55 HD2 HIS 55 5.700 11.458 -5.548 451 HE1 HIS 55 HE1 HIS 55 4.341 13.687 -2.208 452 HE2 HIS 55 HE2 HIS 55 3.823 12.932 -4.556 453 H LEU 56 H LEU 56 6.207 8.930 -3.273 454 HA LEU 56 HA LEU 56 5.864 9.400 -0.469 455 HB2 LEU 56 HB2 LEU 56 3.923 7.918 -0.629 456 HB3 LEU 56 HB3 LEU 56 3.911 9.157 -1.865 457 HG LEU 56 HG LEU 56 4.867 7.325 -3.420 458 HD11 LEU 56 HD11 LEU 56 5.404 5.672 -1.711 459 HD12 LEU 56 HD12 LEU 56 4.203 5.044 -2.839 460 HD13 LEU 56 HD13 LEU 56 3.706 5.596 -1.240 461 HD21 LEU 56 HD21 LEU 56 2.619 6.542 -3.940 462 HD22 LEU 56 HD22 LEU 56 2.633 8.275 -3.607 463 HD23 LEU 56 HD23 LEU 56 2.044 7.146 -2.386 464 H LEU 57 H LEU 57 7.669 7.179 -2.257 465 HA LEU 57 HA LEU 57 7.561 5.046 -0.293 466 HB2 LEU 57 HB2 LEU 57 7.677 4.522 -2.688 467 HB3 LEU 57 HB3 LEU 57 9.210 5.362 -2.802 468 HG LEU 57 HG LEU 57 10.181 3.694 -1.224 469 HD11 LEU 57 HD11 LEU 57 7.539 2.303 -1.652 470 HD12 LEU 57 HD12 LEU 57 8.138 2.967 -0.133 471 HD13 LEU 57 HD13 LEU 57 8.956 1.593 -0.878 472 HD21 LEU 57 HD21 LEU 57 10.490 3.495 -3.634 473 HD22 LEU 57 HD22 LEU 57 8.977 2.599 -3.764 474 HD23 LEU 57 HD23 LEU 57 10.340 1.904 -2.887 475 H ALA 58 H ALA 58 9.352 7.858 -0.892 476 HA ALA 58 HA ALA 58 11.916 7.286 -0.076 477 HB1 ALA 58 HB1 ALA 58 11.207 9.450 -0.987 478 HB2 ALA 58 HB2 ALA 58 12.148 9.624 0.494 479 HB3 ALA 58 HB3 ALA 58 10.394 9.813 0.537 480 HA PRO 59 HA PRO 59 10.623 8.131 4.592 481 HB2 PRO 59 HB2 PRO 59 7.818 7.174 4.473 482 HB3 PRO 59 HB3 PRO 59 8.526 8.493 5.406 483 HG2 PRO 59 HG2 PRO 59 7.012 8.986 3.270 484 HG3 PRO 59 HG3 PRO 59 8.439 9.975 3.632 485 HD2 PRO 59 HD2 PRO 59 8.095 7.802 1.606 486 HD3 PRO 59 HD3 PRO 59 8.981 9.336 1.476 487 H ILE 60 H ILE 60 9.047 5.557 2.736 488 HA ILE 60 HA ILE 60 9.241 3.557 4.748 489 HB ILE 60 HB ILE 60 8.790 3.423 1.765 490 HG12 ILE 60 HG12 ILE 60 6.541 2.531 2.599 491 HG13 ILE 60 HG13 ILE 60 7.036 3.078 4.194 492 HG21 ILE 60 HG21 ILE 60 9.934 1.367 2.363 493 HG22 ILE 60 HG22 ILE 60 8.238 1.045 2.006 494 HG23 ILE 60 HG23 ILE 60 8.796 1.092 3.679 495 HD11 ILE 60 HD11 ILE 60 6.702 4.815 1.759 496 HD12 ILE 60 HD12 ILE 60 7.192 5.367 3.363 497 HD13 ILE 60 HD13 ILE 60 5.583 4.689 3.114 498 H LYS 61 H LYS 61 11.480 4.865 2.504 499 HA LYS 61 HA LYS 61 13.105 2.658 1.928 500 HB2 LYS 61 HB2 LYS 61 13.067 5.164 1.051 501 HB3 LYS 61 HB3 LYS 61 14.347 5.355 2.237 502 HG2 LYS 61 HG2 LYS 61 14.393 3.297 0.040 503 HG3 LYS 61 HG3 LYS 61 15.114 4.900 -0.095 504 HD2 LYS 61 HD2 LYS 61 16.544 4.374 1.852 505 HD3 LYS 61 HD3 LYS 61 15.857 2.747 1.883 506 HE2 LYS 61 HE2 LYS 61 16.684 2.408 -0.424 507 HE3 LYS 61 HE3 LYS 61 17.450 3.995 -0.355 508 HZ1 LYS 61 HZ1 LYS 61 18.109 1.575 1.227 509 HZ2 LYS 61 HZ2 LYS 61 18.658 3.121 1.664 510 HZ3 LYS 61 HZ3 LYS 61 19.116 2.452 0.175 511 H GLU 62 H GLU 62 12.874 4.538 4.841 512 HA GLU 62 HA GLU 62 15.439 4.226 5.868 513 HB2 GLU 62 HB2 GLU 62 14.368 4.616 8.082 514 HB3 GLU 62 HB3 GLU 62 13.942 5.790 6.859 515 HG2 GLU 62 HG2 GLU 62 11.905 5.447 7.782 516 HG3 GLU 62 HG3 GLU 62 11.874 4.212 6.528 517 H VAL 63 H VAL 63 12.787 1.949 5.758 518 HA VAL 63 HA VAL 63 13.912 0.155 7.687 519 HB VAL 63 HB VAL 63 11.461 0.256 7.046 520 HG11 VAL 63 HG11 VAL 63 12.403 -1.344 4.673 521 HG12 VAL 63 HG12 VAL 63 11.679 0.265 4.634 522 HG13 VAL 63 HG13 VAL 63 10.724 -1.121 5.163 523 HG21 VAL 63 HG21 VAL 63 12.827 -2.433 6.999 524 HG22 VAL 63 HG22 VAL 63 11.123 -2.155 7.358 525 HG23 VAL 63 HG23 VAL 63 12.367 -1.518 8.434 526 H ASP 64 H ASP 64 14.149 0.578 4.233 527 HA ASP 64 HA ASP 64 15.455 -1.854 3.600 528 HB2 ASP 64 HB2 ASP 64 14.486 -0.555 1.816 529 HB3 ASP 64 HB3 ASP 64 15.431 0.861 2.261 530 H THR 65 H THR 65 16.608 1.379 4.438 531 HA THR 65 HA THR 65 19.369 0.793 4.226 532 HB THR 65 HB THR 65 18.120 2.951 5.934 533 HG1 THR 65 HG1 THR 65 17.895 4.146 4.097 534 HG21 THR 65 HG21 THR 65 20.180 4.170 5.419 535 HG22 THR 65 HG22 THR 65 20.758 2.808 4.461 536 HG23 THR 65 HG23 THR 65 20.546 2.633 6.202 537 H SER 66 H SER 66 17.014 0.346 6.768 538 HA SER 66 HA SER 66 18.883 -0.099 8.877 539 HB2 SER 66 HB2 SER 66 16.001 -0.980 8.587 540 HB3 SER 66 HB3 SER 66 16.947 -1.106 10.068 541 HG SER 66 HG SER 66 17.030 1.094 10.210 542 H GLY 67 H GLY 67 18.283 -1.835 6.115 543 HA2 GLY 67 HA2 GLY 67 19.785 -3.726 5.756 544 HA3 GLY 67 HA3 GLY 67 19.386 -4.263 7.380 545 H LYS 68 H LYS 68 16.492 -3.325 6.519 546 HA LYS 68 HA LYS 68 15.827 -6.010 5.585 547 HB2 LYS 68 HB2 LYS 68 14.693 -4.385 7.531 548 HB3 LYS 68 HB3 LYS 68 13.550 -4.317 6.198 549 HG2 LYS 68 HG2 LYS 68 12.883 -6.085 7.632 550 HG3 LYS 68 HG3 LYS 68 13.547 -6.817 6.176 551 HD2 LYS 68 HD2 LYS 68 15.210 -6.387 8.646 552 HD3 LYS 68 HD3 LYS 68 14.225 -7.832 8.428 553 HE2 LYS 68 HE2 LYS 68 15.440 -8.411 6.427 554 HE3 LYS 68 HE3 LYS 68 16.340 -6.898 6.491 555 HZ1 LYS 68 HZ1 LYS 68 16.500 -9.141 8.431 556 HZ2 LYS 68 HZ2 LYS 68 17.293 -7.650 8.616 557 HZ3 LYS 68 HZ3 LYS 68 17.694 -8.668 7.320 558 H HIS 69 H HIS 69 16.563 -5.590 3.490 559 HA HIS 69 HA HIS 69 15.409 -3.559 1.833 560 HB2 HIS 69 HB2 HIS 69 16.934 -6.047 1.018 561 HB3 HIS 69 HB3 HIS 69 16.613 -4.645 0.006 562 HD1 HIS 69 HD1 HIS 69 17.869 -2.407 0.688 563 HD2 HIS 69 HD2 HIS 69 19.165 -5.856 2.612 564 HE1 HIS 69 HE1 HIS 69 20.122 -1.837 1.654 565 HE2 HIS 69 HE2 HIS 69 20.761 -3.859 3.023 566 H ASP 70 H ASP 70 14.787 -6.902 2.548 567 HA ASP 70 HA ASP 70 13.219 -7.652 0.377 568 HB2 ASP 70 HB2 ASP 70 13.996 -9.299 1.929 569 HB3 ASP 70 HB3 ASP 70 13.145 -8.529 3.263 570 H VAL 71 H VAL 71 12.122 -6.334 3.500 571 HA VAL 71 HA VAL 71 9.388 -6.469 2.872 572 HB VAL 71 HB VAL 71 9.005 -4.987 4.788 573 HG11 VAL 71 HG11 VAL 71 9.329 -7.345 5.200 574 HG12 VAL 71 HG12 VAL 71 10.069 -6.411 6.500 575 HG13 VAL 71 HG13 VAL 71 11.079 -7.126 5.244 576 HG21 VAL 71 HG21 VAL 71 10.876 -4.132 6.099 577 HG22 VAL 71 HG22 VAL 71 10.892 -3.461 4.468 578 HG23 VAL 71 HG23 VAL 71 12.012 -4.754 4.902 579 H ALA 72 H ALA 72 11.772 -3.937 2.317 580 HA ALA 72 HA ALA 72 9.929 -1.899 1.616 581 HB1 ALA 72 HB1 ALA 72 12.262 -1.425 2.217 582 HB2 ALA 72 HB2 ALA 72 11.852 -0.758 0.638 583 HB3 ALA 72 HB3 ALA 72 12.802 -2.241 0.750 584 H GLN 73 H GLN 73 11.867 -4.152 -0.298 585 HA GLN 73 HA GLN 73 11.019 -3.427 -2.866 586 HB2 GLN 73 HB2 GLN 73 12.856 -5.102 -1.993 587 HB3 GLN 73 HB3 GLN 73 11.574 -6.288 -2.121 588 HG2 GLN 73 HG2 GLN 73 12.650 -6.503 -4.134 589 HG3 GLN 73 HG3 GLN 73 11.322 -5.415 -4.535 590 HE21 GLN 73 HE21 GLN 73 11.757 -3.294 -5.054 591 HE22 GLN 73 HE22 GLN 73 13.357 -2.716 -5.351 592 H ARG 74 H ARG 74 9.750 -5.872 -0.639 593 HA ARG 74 HA ARG 74 7.730 -6.873 -2.318 594 HB2 ARG 74 HB2 ARG 74 7.775 -6.752 0.701 595 HB3 ARG 74 HB3 ARG 74 6.655 -7.715 -0.251 596 HG2 ARG 74 HG2 ARG 74 8.627 -8.919 -1.201 597 HG3 ARG 74 HG3 ARG 74 9.637 -8.049 -0.044 598 HD2 ARG 74 HD2 ARG 74 9.164 -10.129 0.959 599 HD3 ARG 74 HD3 ARG 74 8.115 -8.962 1.761 600 HE ARG 74 HE ARG 74 6.698 -10.055 -0.376 601 HH11 ARG 74 HH11 ARG 74 7.967 -10.981 2.757 602 HH12 ARG 74 HH12 ARG 74 6.905 -12.348 2.917 603 HH21 ARG 74 HH21 ARG 74 5.293 -11.856 -0.157 604 HH22 ARG 74 HH22 ARG 74 5.379 -12.836 1.282 605 H LEU 75 H LEU 75 7.675 -4.210 0.021 606 HA LEU 75 HA LEU 75 4.868 -3.813 -0.227 607 HB2 LEU 75 HB2 LEU 75 7.079 -2.496 1.191 608 HB3 LEU 75 HB3 LEU 75 5.745 -1.444 0.757 609 HG LEU 75 HG LEU 75 5.459 -2.302 3.014 610 HD11 LEU 75 HD11 LEU 75 3.210 -3.235 2.788 611 HD12 LEU 75 HD12 LEU 75 3.498 -3.511 1.070 612 HD13 LEU 75 HD13 LEU 75 3.461 -1.867 1.705 613 HD21 LEU 75 HD21 LEU 75 6.700 -4.386 2.814 614 HD22 LEU 75 HD22 LEU 75 5.459 -5.039 1.745 615 HD23 LEU 75 HD23 LEU 75 5.075 -4.685 3.429 616 H GLN 76 H GLN 76 7.682 -2.261 -1.748 617 HA GLN 76 HA GLN 76 6.146 -0.283 -3.074 618 HB2 GLN 76 HB2 GLN 76 8.138 -0.092 -4.593 619 HB3 GLN 76 HB3 GLN 76 8.472 0.121 -2.889 620 HG2 GLN 76 HG2 GLN 76 9.363 -2.130 -2.786 621 HG3 GLN 76 HG3 GLN 76 8.989 -2.361 -4.492 622 HE21 GLN 76 HE21 GLN 76 10.208 -1.270 -6.049 623 HE22 GLN 76 HE22 GLN 76 11.727 -0.538 -5.677 624 H GLN 77 H GLN 77 7.155 -3.530 -3.966 625 HA GLN 77 HA GLN 77 5.945 -3.476 -6.558 626 HB2 GLN 77 HB2 GLN 77 7.752 -5.048 -5.941 627 HB3 GLN 77 HB3 GLN 77 6.664 -5.846 -4.818 628 HG2 GLN 77 HG2 GLN 77 6.843 -7.141 -6.828 629 HG3 GLN 77 HG3 GLN 77 5.216 -6.479 -6.701 630 HE21 GLN 77 HE21 GLN 77 6.723 -7.434 -9.024 631 HE22 GLN 77 HE22 GLN 77 6.739 -6.117 -10.152 632 H ARG 78 H ARG 78 4.775 -3.905 -3.368 633 HA ARG 78 HA ARG 78 2.385 -5.334 -3.984 634 HB2 ARG 78 HB2 ARG 78 3.434 -5.195 -1.713 635 HB3 ARG 78 HB3 ARG 78 2.942 -3.511 -1.632 636 HG2 ARG 78 HG2 ARG 78 1.380 -4.802 -0.388 637 HG3 ARG 78 HG3 ARG 78 0.583 -4.262 -1.867 638 HD2 ARG 78 HD2 ARG 78 0.804 -6.403 -2.868 639 HD3 ARG 78 HD3 ARG 78 1.884 -6.958 -1.591 640 HE ARG 78 HE ARG 78 -0.850 -6.209 -0.877 641 HH11 ARG 78 HH11 ARG 78 1.541 -8.715 -1.376 642 HH12 ARG 78 HH12 ARG 78 0.645 -9.914 -0.485 643 HH21 ARG 78 HH21 ARG 78 -2.017 -7.790 0.307 644 HH22 ARG 78 HH22 ARG 78 -1.349 -9.388 0.480 645 H VAL 79 H VAL 79 3.239 -1.927 -3.608 646 HA VAL 79 HA VAL 79 0.646 -0.855 -3.752 647 HB VAL 79 HB VAL 79 3.244 0.436 -4.604 648 HG11 VAL 79 HG11 VAL 79 2.080 2.562 -4.171 649 HG12 VAL 79 HG12 VAL 79 0.583 1.671 -3.897 650 HG13 VAL 79 HG13 VAL 79 1.342 1.649 -5.488 651 HG21 VAL 79 HG21 VAL 79 3.256 1.420 -2.363 652 HG22 VAL 79 HG22 VAL 79 3.326 -0.340 -2.301 653 HG23 VAL 79 HG23 VAL 79 1.812 0.497 -1.950 654 H THR 80 H THR 80 3.035 -1.522 -6.297 655 HA THR 80 HA THR 80 1.620 -0.332 -8.410 656 HB THR 80 HB THR 80 2.986 -1.824 -9.892 657 HG1 THR 80 HG1 THR 80 4.728 -2.914 -8.471 658 HG21 THR 80 HG21 THR 80 5.148 -0.851 -9.262 659 HG22 THR 80 HG22 THR 80 4.493 -0.415 -7.684 660 HG23 THR 80 HG23 THR 80 3.851 0.337 -9.144 661 H ALA 81 H ALA 81 1.451 -3.554 -7.001 662 HA ALA 81 HA ALA 81 -0.273 -4.681 -8.952 663 HB1 ALA 81 HB1 ALA 81 -0.643 -6.454 -7.330 664 HB2 ALA 81 HB2 ALA 81 0.095 -5.470 -6.066 665 HB3 ALA 81 HB3 ALA 81 1.069 -6.044 -7.420 666 H ILE 82 H ILE 82 -0.832 -3.055 -5.858 667 HA ILE 82 HA ILE 82 -3.638 -3.438 -5.811 668 HB ILE 82 HB ILE 82 -2.003 -1.262 -4.483 669 HG12 ILE 82 HG12 ILE 82 -2.976 -3.919 -3.403 670 HG13 ILE 82 HG13 ILE 82 -1.316 -3.555 -3.859 671 HG21 ILE 82 HG21 ILE 82 -3.900 -1.050 -2.949 672 HG22 ILE 82 HG22 ILE 82 -4.797 -2.236 -3.895 673 HG23 ILE 82 HG23 ILE 82 -4.370 -0.682 -4.609 674 HD11 ILE 82 HD11 ILE 82 -1.216 -1.852 -2.108 675 HD12 ILE 82 HD12 ILE 82 -1.601 -3.447 -1.459 676 HD13 ILE 82 HD13 ILE 82 -2.874 -2.240 -1.648 677 H MET 83 H MET 83 -1.570 -0.823 -6.989 678 HA MET 83 HA MET 83 -3.576 0.997 -7.708 679 HB2 MET 83 HB2 MET 83 -1.102 1.444 -7.608 680 HB3 MET 83 HB3 MET 83 -0.939 0.580 -9.129 681 HG2 MET 83 HG2 MET 83 -0.998 2.759 -9.835 682 HG3 MET 83 HG3 MET 83 -2.688 2.290 -9.994 683 HE1 MET 83 HE1 MET 83 -3.862 2.393 -7.080 684 HE2 MET 83 HE2 MET 83 -4.638 3.172 -8.458 685 HE3 MET 83 HE3 MET 83 -4.380 4.076 -6.966 686 H ARG 84 H ARG 84 -2.255 -1.785 -9.369 687 HA ARG 84 HA ARG 84 -3.231 -1.360 -11.940 688 HB2 ARG 84 HB2 ARG 84 -1.623 -3.124 -11.340 689 HB3 ARG 84 HB3 ARG 84 -2.884 -3.982 -10.465 690 HG2 ARG 84 HG2 ARG 84 -2.556 -5.035 -12.579 691 HG3 ARG 84 HG3 ARG 84 -4.122 -4.226 -12.597 692 HD2 ARG 84 HD2 ARG 84 -3.135 -2.349 -13.821 693 HD3 ARG 84 HD3 ARG 84 -1.571 -3.163 -13.800 694 HE ARG 84 HE ARG 84 -3.683 -4.732 -14.965 695 HH11 ARG 84 HH11 ARG 84 -1.168 -2.356 -15.590 696 HH12 ARG 84 HH12 ARG 84 -1.090 -2.725 -17.290 697 HH21 ARG 84 HH21 ARG 84 -3.573 -5.205 -17.167 698 HH22 ARG 84 HH22 ARG 84 -2.456 -4.342 -18.184 699 H TYR 85 H TYR 85 -4.814 -2.813 -9.121 700 HA TYR 85 HA TYR 85 -7.145 -3.642 -10.529 701 HB2 TYR 85 HB2 TYR 85 -6.508 -3.320 -7.602 702 HB3 TYR 85 HB3 TYR 85 -8.122 -3.765 -8.148 703 HD1 TYR 85 HD1 TYR 85 -8.508 -5.911 -9.271 704 HD2 TYR 85 HD2 TYR 85 -4.684 -4.899 -7.700 705 HE1 TYR 85 HE1 TYR 85 -7.836 -8.269 -9.413 706 HE2 TYR 85 HE2 TYR 85 -4.000 -7.260 -7.833 707 HH TYR 85 HH TYR 85 -5.084 -9.488 -7.877 708 H ALA 86 H ALA 86 -6.213 -0.676 -8.942 709 HA ALA 86 HA ALA 86 -8.821 0.486 -8.965 710 HB1 ALA 86 HB1 ALA 86 -6.122 1.829 -8.867 711 HB2 ALA 86 HB2 ALA 86 -7.076 1.319 -7.474 712 HB3 ALA 86 HB3 ALA 86 -7.673 2.597 -8.531 713 H VAL 87 H VAL 87 -6.297 0.071 -11.285 714 HA VAL 87 HA VAL 87 -7.330 2.090 -13.089 715 HB VAL 87 HB VAL 87 -5.141 0.045 -13.514 716 HG11 VAL 87 HG11 VAL 87 -6.107 0.824 -15.627 717 HG12 VAL 87 HG12 VAL 87 -4.463 1.420 -15.406 718 HG13 VAL 87 HG13 VAL 87 -5.833 2.495 -15.134 719 HG21 VAL 87 HG21 VAL 87 -4.993 2.965 -12.771 720 HG22 VAL 87 HG22 VAL 87 -3.612 1.934 -13.147 721 HG23 VAL 87 HG23 VAL 87 -4.602 1.601 -11.726 722 H GLN 88 H GLN 88 -7.423 -1.424 -12.745 723 HA GLN 88 HA GLN 88 -8.331 -2.071 -15.311 724 HB2 GLN 88 HB2 GLN 88 -9.011 -4.192 -14.440 725 HB3 GLN 88 HB3 GLN 88 -7.551 -3.722 -13.583 726 HG2 GLN 88 HG2 GLN 88 -8.782 -3.149 -11.637 727 HG3 GLN 88 HG3 GLN 88 -10.317 -3.307 -12.487 728 HE21 GLN 88 HE21 GLN 88 -11.118 -4.806 -11.061 729 HE22 GLN 88 HE22 GLN 88 -10.534 -6.430 -10.982 730 H ASN 89 H ASN 89 -10.121 -1.031 -12.450 731 HA ASN 89 HA ASN 89 -12.662 -1.366 -13.823 732 HB2 ASN 89 HB2 ASN 89 -12.042 -0.306 -11.057 733 HB3 ASN 89 HB3 ASN 89 -13.661 -0.533 -11.706 734 HD21 ASN 89 HD21 ASN 89 -12.461 -1.718 -9.367 735 HD22 ASN 89 HD22 ASN 89 -12.540 -3.434 -9.592 736 H ASP 90 H ASP 90 -10.287 0.864 -13.860 737 HA ASP 90 HA ASP 90 -10.075 3.028 -14.458 738 HB2 ASP 90 HB2 ASP 90 -11.266 2.357 -16.451 739 HB3 ASP 90 HB3 ASP 90 -12.816 2.526 -15.634 740 H TYR 91 H TYR 91 -10.087 3.515 -12.171 741 HA TYR 91 HA TYR 91 -12.410 5.142 -11.395 742 HB2 TYR 91 HB2 TYR 91 -10.115 4.049 -9.757 743 HB3 TYR 91 HB3 TYR 91 -11.304 5.183 -9.130 744 HD1 TYR 91 HD2 TYR 91 -13.831 4.393 -9.535 745 HD2 TYR 91 HD1 TYR 91 -10.455 1.809 -9.335 746 HE1 TYR 91 HE2 TYR 91 -15.306 2.521 -8.940 747 HE2 TYR 91 HE1 TYR 91 -11.925 -0.071 -8.739 748 HH TYR 91 HH TYR 91 -15.303 0.066 -9.069 749 H ILE 92 H ILE 92 -9.056 5.218 -12.228 750 HA ILE 92 HA ILE 92 -9.081 8.139 -12.043 751 HB ILE 92 HB ILE 92 -6.678 8.076 -11.355 752 HG12 ILE 92 HG12 ILE 92 -7.280 5.161 -10.775 753 HG13 ILE 92 HG13 ILE 92 -6.190 5.756 -12.025 754 HG21 ILE 92 HG21 ILE 92 -8.630 6.846 -9.413 755 HG22 ILE 92 HG22 ILE 92 -8.449 8.564 -9.758 756 HG23 ILE 92 HG23 ILE 92 -7.133 7.679 -8.991 757 HD11 ILE 92 HD11 ILE 92 -4.953 4.985 -10.093 758 HD12 ILE 92 HD12 ILE 92 -5.837 6.106 -9.056 759 HD13 ILE 92 HD13 ILE 92 -4.753 6.724 -10.302 760 H ASP 93 H ASP 93 -7.989 9.191 -13.660 761 HA ASP 93 HA ASP 93 -7.301 7.574 -15.975 762 HB2 ASP 93 HB2 ASP 93 -7.486 10.578 -15.647 763 HB3 ASP 93 HB3 ASP 93 -7.143 9.750 -17.162 764 H SER 94 H SER 94 -5.757 9.015 -13.356 765 HA SER 94 HA SER 94 -3.195 9.323 -14.674 766 HB2 SER 94 HB2 SER 94 -3.828 9.416 -11.713 767 HB3 SER 94 HB3 SER 94 -2.373 10.016 -12.506 768 HG SER 94 HG SER 94 -4.017 11.376 -13.734 769 H ASN 95 H ASN 95 -1.442 7.939 -14.397 770 HA ASN 95 HA ASN 95 -2.024 5.426 -12.974 771 HB2 ASN 95 HB2 ASN 95 -0.530 5.872 -15.552 772 HB3 ASN 95 HB3 ASN 95 -0.260 4.432 -14.576 773 HD21 ASN 95 HD21 ASN 95 -1.861 2.863 -14.440 774 HD22 ASN 95 HD22 ASN 95 -3.243 2.861 -15.481 775 HA PRO 96 HA PRO 96 1.573 7.254 -10.838 776 HB2 PRO 96 HB2 PRO 96 0.393 6.261 -8.398 777 HB3 PRO 96 HB3 PRO 96 0.645 7.935 -8.890 778 HG2 PRO 96 HG2 PRO 96 -1.824 6.765 -8.641 779 HG3 PRO 96 HG3 PRO 96 -1.482 8.149 -9.695 780 HD2 PRO 96 HD2 PRO 96 -1.738 5.252 -10.386 781 HD3 PRO 96 HD3 PRO 96 -2.302 6.681 -11.278 782 H ALA 97 H ALA 97 2.522 5.938 -8.637 783 HA ALA 97 HA ALA 97 3.862 4.202 -8.044 784 HB1 ALA 97 HB1 ALA 97 1.687 2.537 -9.305 785 HB2 ALA 97 HB2 ALA 97 1.706 3.123 -7.642 786 HB3 ALA 97 HB3 ALA 97 2.918 1.960 -8.182 787 H SER 98 H SER 98 4.129 5.407 -10.763 788 HA SER 98 HA SER 98 5.243 3.179 -12.288 789 HB2 SER 98 HB2 SER 98 4.858 6.074 -13.099 790 HB3 SER 98 HB3 SER 98 5.354 4.752 -14.157 791 HG SER 98 HG SER 98 3.004 4.360 -12.727 792 H ASP 99 H ASP 99 7.365 3.069 -12.862 793 HA ASP 99 HA ASP 99 9.611 3.298 -12.724 794 HB2 ASP 99 HB2 ASP 99 8.993 5.651 -13.562 795 HB3 ASP 99 HB3 ASP 99 9.243 6.178 -11.901 796 H MET 100 H MET 100 7.829 2.794 -10.351 797 HA MET 100 HA MET 100 9.630 3.560 -8.168 798 HB2 MET 100 HB2 MET 100 6.918 2.212 -8.096 799 HB3 MET 100 HB3 MET 100 7.869 2.647 -6.683 800 HG2 MET 100 HG2 MET 100 7.726 5.012 -7.350 801 HG3 MET 100 HG3 MET 100 6.698 4.543 -8.701 802 HE1 MET 100 HE1 MET 100 6.724 3.009 -5.079 803 HE2 MET 100 HE2 MET 100 5.495 3.988 -4.275 804 HE3 MET 100 HE3 MET 100 7.018 4.720 -4.776 805 H ALA 101 H ALA 101 8.138 0.744 -9.695 806 HA ALA 101 HA ALA 101 9.868 -1.088 -8.245 807 HB1 ALA 101 HB1 ALA 101 8.675 -2.843 -9.437 808 HB2 ALA 101 HB2 ALA 101 7.860 -1.637 -10.434 809 HB3 ALA 101 HB3 ALA 101 7.538 -1.716 -8.701 810 H GLY 102 H GLY 102 11.609 0.371 -9.317 811 HA2 GLY 102 HA2 GLY 102 12.904 -1.222 -11.310 812 HA3 GLY 102 HA3 GLY 102 12.333 0.313 -11.957 813 H ALA 103 H ALA 103 14.072 1.532 -12.186 814 HA ALA 103 HA ALA 103 15.884 2.803 -11.734 815 HB1 ALA 103 HB1 ALA 103 16.239 3.620 -9.479 816 HB2 ALA 103 HB2 ALA 103 15.168 2.376 -8.836 817 HB3 ALA 103 HB3 ALA 103 14.521 3.643 -9.880 818 H LEU 104 H LEU 104 16.128 0.636 -8.917 819 HA LEU 104 HA LEU 104 18.916 0.154 -9.553 820 HB2 LEU 104 HB2 LEU 104 19.024 -1.008 -7.409 821 HB3 LEU 104 HB3 LEU 104 18.326 0.588 -7.236 822 HG LEU 104 HG LEU 104 16.516 -1.800 -7.466 823 HD11 LEU 104 HD11 LEU 104 16.560 -2.030 -5.045 824 HD12 LEU 104 HD12 LEU 104 17.837 -0.819 -4.940 825 HD13 LEU 104 HD13 LEU 104 18.148 -2.362 -5.736 826 HD21 LEU 104 HD21 LEU 104 15.562 0.462 -7.568 827 HD22 LEU 104 HD22 LEU 104 16.300 0.837 -6.010 828 HD23 LEU 104 HD23 LEU 104 15.049 -0.400 -6.119 829 H SER 105 H SER 105 16.386 -1.057 -10.931 830 HA SER 105 HA SER 105 16.844 -3.895 -10.602 831 HB2 SER 105 HB2 SER 105 15.040 -4.002 -12.414 832 HB3 SER 105 HB3 SER 105 14.566 -3.276 -10.877 833 HG SER 105 HG SER 105 15.240 -1.955 -13.306 834 H THR 106 H THR 106 18.630 -1.703 -12.027 835 HA THR 106 HA THR 106 18.923 -2.623 -14.691 836 HB THR 106 HB THR 106 21.171 -1.358 -14.489 837 HG1 THR 106 HG1 THR 106 21.012 -1.496 -12.080 838 HG21 THR 106 HG21 THR 106 20.033 0.813 -14.634 839 HG22 THR 106 HG22 THR 106 18.563 0.085 -13.988 840 HG23 THR 106 HG23 THR 106 19.180 -0.424 -15.561 841 H THR 107 H THR 107 19.250 -4.827 -14.722 842 HA THR 107 HA THR 107 21.493 -5.987 -13.310 843 HB THR 107 HB THR 107 20.769 -8.037 -14.743 844 HG1 THR 107 HG1 THR 107 18.224 -6.963 -14.848 845 HG21 THR 107 HG21 THR 107 18.890 -6.883 -12.678 846 HG22 THR 107 HG22 THR 107 20.359 -7.793 -12.329 847 HG23 THR 107 HG23 THR 107 19.007 -8.578 -13.146 848 H LYS 108 H LYS 108 23.361 -6.840 -14.308 849 HA LYS 108 HA LYS 108 23.843 -5.956 -17.061 850 HB2 LYS 108 HB2 LYS 108 25.651 -5.509 -14.680 851 HB3 LYS 108 HB3 LYS 108 26.138 -5.259 -16.348 852 HG2 LYS 108 HG2 LYS 108 23.733 -3.835 -15.327 853 HG3 LYS 108 HG3 LYS 108 25.334 -3.268 -14.854 854 HD2 LYS 108 HD2 LYS 108 24.594 -2.063 -16.810 855 HD3 LYS 108 HD3 LYS 108 25.949 -3.101 -17.240 856 HE2 LYS 108 HE2 LYS 108 24.425 -4.722 -18.212 857 HE3 LYS 108 HE3 LYS 108 23.042 -3.752 -17.710 858 HZ1 LYS 108 HZ1 LYS 108 23.843 -1.964 -19.144 859 HZ2 LYS 108 HZ2 LYS 108 23.526 -3.379 -20.023 860 HZ3 LYS 108 HZ3 LYS 108 25.129 -2.941 -19.666 861 H ALA 109 H ALA 109 24.919 -7.371 -18.293 862 HA ALA 109 HA ALA 109 26.637 -9.377 -17.034 863 HB1 ALA 109 HB1 ALA 109 24.482 -10.081 -19.029 864 HB2 ALA 109 HB2 ALA 109 24.492 -10.511 -17.318 865 HB3 ALA 109 HB3 ALA 109 25.708 -11.185 -18.402 866 H ARG 110 H ARG 110 25.363 -8.977 -20.302 867 HA ARG 110 HA ARG 110 26.293 -8.644 -22.318 868 HB2 ARG 110 HB2 ARG 110 26.730 -6.446 -21.259 869 HB3 ARG 110 HB3 ARG 110 28.317 -7.023 -20.769 870 HG2 ARG 110 HG2 ARG 110 28.963 -7.272 -23.093 871 HG3 ARG 110 HG3 ARG 110 27.352 -6.757 -23.607 872 HD2 ARG 110 HD2 ARG 110 27.679 -4.585 -22.696 873 HD3 ARG 110 HD3 ARG 110 29.173 -5.088 -21.904 874 HE ARG 110 HE ARG 110 29.579 -5.551 -24.586 875 HH11 ARG 110 HH11 ARG 110 28.756 -2.759 -22.633 876 HH12 ARG 110 HH12 ARG 110 29.548 -1.624 -23.684 877 HH21 ARG 110 HH21 ARG 110 30.631 -4.067 -25.967 878 HH22 ARG 110 HH22 ARG 110 30.609 -2.368 -25.585 879 H HIS 111 H HIS 111 28.118 -9.069 -23.735 880 HA HIS 111 HA HIS 111 29.938 -10.135 -24.508 881 HB2 HIS 111 HB2 HIS 111 30.743 -9.839 -21.644 882 HB3 HIS 111 HB3 HIS 111 31.732 -10.796 -22.743 883 HD1 HIS 111 HD1 HIS 111 31.374 -7.446 -21.528 884 HD2 HIS 111 HD2 HIS 111 32.433 -9.173 -25.163 885 HE1 HIS 111 HE1 HIS 111 32.586 -5.647 -22.809 886 HE2 HIS 111 HE2 HIS 111 33.245 -6.721 -24.999 887 H TYR 112 H TYR 112 28.922 -11.881 -25.282 888 HA TYR 112 HA TYR 112 29.901 -14.319 -24.106 889 HB2 TYR 112 HB2 TYR 112 27.700 -14.254 -23.039 890 HB3 TYR 112 HB3 TYR 112 26.927 -14.003 -24.603 891 HD1 TYR 112 HD2 TYR 112 28.973 -16.430 -22.675 892 HD2 TYR 112 HD1 TYR 112 26.317 -15.845 -25.942 893 HE1 TYR 112 HE2 TYR 112 28.859 -18.862 -23.010 894 HE2 TYR 112 HE1 TYR 112 26.197 -18.276 -26.289 895 HH TYR 112 HH TYR 112 27.735 -20.280 -25.787 896 HA PRO 113 HA PRO 113 30.160 -14.686 -28.574 897 HB2 PRO 113 HB2 PRO 113 32.363 -16.446 -28.272 898 HB3 PRO 113 HB3 PRO 113 32.412 -14.743 -28.726 899 HG2 PRO 113 HG2 PRO 113 33.378 -15.852 -26.354 900 HG3 PRO 113 HG3 PRO 113 33.117 -14.132 -26.671 901 HD2 PRO 113 HD2 PRO 113 31.449 -16.057 -25.144 902 HD3 PRO 113 HD3 PRO 113 31.643 -14.304 -24.926 903 H LEU 114 H LEU 114 28.511 -15.951 -29.144 904 HA LEU 114 HA LEU 114 28.095 -18.585 -28.102 905 HB2 LEU 114 HB2 LEU 114 26.243 -17.127 -28.887 906 HB3 LEU 114 HB3 LEU 114 26.859 -17.259 -30.522 907 HG LEU 114 HG LEU 114 26.434 -19.702 -30.454 908 HD11 LEU 114 HD11 LEU 114 25.148 -19.070 -27.801 909 HD12 LEU 114 HD12 LEU 114 26.586 -20.057 -28.060 910 HD13 LEU 114 HD13 LEU 114 25.022 -20.603 -28.664 911 HD21 LEU 114 HD21 LEU 114 24.796 -18.164 -31.418 912 HD22 LEU 114 HD22 LEU 114 24.037 -17.975 -29.839 913 HD23 LEU 114 HD23 LEU 114 24.009 -19.541 -30.648 914 H GLU 115 H GLU 115 28.965 -17.288 -31.281 915 HA GLU 115 HA GLU 115 30.192 -18.092 -33.009 916 HB2 GLU 115 HB2 GLU 115 31.585 -19.701 -30.859 917 HB3 GLU 115 HB3 GLU 115 32.220 -19.325 -32.456 918 HG2 GLU 115 HG2 GLU 115 32.166 -16.926 -31.873 919 HG3 GLU 115 HG3 GLU 115 31.638 -17.364 -30.247 920 H HIS 116 H HIS 116 27.772 -19.572 -32.148 921 HA HIS 116 HA HIS 116 28.453 -22.327 -32.876 922 HB2 HIS 116 HB2 HIS 116 27.034 -21.688 -30.806 923 HB3 HIS 116 HB3 HIS 116 25.744 -21.378 -31.962 924 HD1 HIS 116 HD1 HIS 116 24.361 -23.342 -32.631 925 HD2 HIS 116 HD2 HIS 116 27.989 -24.449 -30.910 926 HE1 HIS 116 HE1 HIS 116 24.265 -25.846 -32.371 927 HE2 HIS 116 HE2 HIS 116 26.527 -26.506 -31.471 928 H HIS 117 H HIS 117 28.632 -22.297 -35.068 929 HA HIS 117 HA HIS 117 26.236 -21.473 -36.543 930 HB2 HIS 117 HB2 HIS 117 27.736 -20.699 -38.407 931 HB3 HIS 117 HB3 HIS 117 27.800 -19.713 -36.953 932 HD1 HIS 117 HD1 HIS 117 29.893 -21.641 -39.262 933 HD2 HIS 117 HD2 HIS 117 30.225 -20.106 -35.411 934 HE1 HIS 117 HE1 HIS 117 32.356 -21.633 -38.742 935 HE2 HIS 117 HE2 HIS 117 32.543 -20.550 -36.472 936 H HIS 118 H HIS 118 25.452 -23.478 -36.812 937 HA HIS 118 HA HIS 118 26.832 -25.057 -38.848 938 HB2 HIS 118 HB2 HIS 118 25.816 -26.146 -36.225 939 HB3 HIS 118 HB3 HIS 118 25.973 -27.164 -37.652 940 HD1 HIS 118 HD1 HIS 118 28.487 -27.235 -38.690 941 HD2 HIS 118 HD2 HIS 118 28.099 -25.937 -34.754 942 HE1 HIS 118 HE1 HIS 118 30.785 -27.428 -37.679 943 HE2 HIS 118 HE2 HIS 118 30.520 -26.705 -35.276 944 H HIS 119 H HIS 119 25.457 -24.676 -40.460 945 HA HIS 119 HA HIS 119 22.647 -25.424 -40.016 946 HB2 HIS 119 HB2 HIS 119 21.906 -23.583 -41.476 947 HB3 HIS 119 HB3 HIS 119 22.715 -22.984 -40.035 948 HD1 HIS 119 HD1 HIS 119 23.129 -23.278 -43.755 949 HD2 HIS 119 HD2 HIS 119 25.030 -21.513 -40.504 950 HE1 HIS 119 HE1 HIS 119 24.857 -21.737 -44.733 951 HE2 HIS 119 HE2 HIS 119 25.837 -20.521 -42.759 952 H HIS 120 H HIS 120 21.710 -26.599 -41.596 953 HA HIS 120 HA HIS 120 22.693 -26.681 -44.263 954 HB2 HIS 120 HB2 HIS 120 23.397 -29.039 -44.349 955 HB3 HIS 120 HB3 HIS 120 24.441 -28.089 -43.304 956 HD1 HIS 120 HD1 HIS 120 22.318 -31.079 -43.371 957 HD2 HIS 120 HD2 HIS 120 24.032 -28.622 -40.487 958 HE1 HIS 120 HE1 HIS 120 22.213 -32.382 -41.220 959 HE2 HIS 120 HE2 HIS 120 23.478 -30.972 -39.554 960 H HIS 121 H HIS 121 20.953 -28.678 -41.877 961 HA HIS 121 HA HIS 121 18.403 -28.369 -42.844 962 HB2 HIS 121 HB2 HIS 121 19.249 -29.417 -44.951 963 HB3 HIS 121 HB3 HIS 121 19.676 -30.856 -44.032 964 HD1 HIS 121 HD1 HIS 121 16.620 -28.844 -45.037 965 HD2 HIS 121 HD2 HIS 121 17.642 -32.662 -43.729 966 HE1 HIS 121 HE1 HIS 121 14.520 -30.219 -45.221 967 HE2 HIS 121 HE2 HIS 121 15.200 -32.560 -44.571 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -8.677 7.802 11.415 2 H2 MET 1 H2 MET 1 -8.736 6.273 12.141 3 H3 MET 1 H3 MET 1 -8.862 7.669 13.097 4 HA MET 1 HA MET 1 -11.014 6.727 12.877 5 HB2 MET 1 HB2 MET 1 -10.807 9.211 12.766 6 HB3 MET 1 HB3 MET 1 -10.762 9.102 11.013 7 HG2 MET 1 HG2 MET 1 -13.003 8.207 10.969 8 HG3 MET 1 HG3 MET 1 -13.056 8.190 12.732 9 HE1 MET 1 HE1 MET 1 -15.336 9.520 12.703 10 HE2 MET 1 HE2 MET 1 -15.319 9.564 10.939 11 HE3 MET 1 HE3 MET 1 -15.577 11.048 11.857 12 H GLU 2 H GLU 2 -11.613 4.920 11.910 13 HA GLU 2 HA GLU 2 -10.912 4.448 9.135 14 HB2 GLU 2 HB2 GLU 2 -12.220 2.606 11.145 15 HB3 GLU 2 HB3 GLU 2 -11.593 2.135 9.573 16 HG2 GLU 2 HG2 GLU 2 -10.003 1.454 11.181 17 HG3 GLU 2 HG3 GLU 2 -9.324 2.861 10.369 18 H ASN 3 H ASN 3 -13.667 5.284 11.000 19 HA ASN 3 HA ASN 3 -15.540 4.376 8.966 20 HB2 ASN 3 HB2 ASN 3 -15.986 5.738 11.631 21 HB3 ASN 3 HB3 ASN 3 -17.274 5.226 10.546 22 HD21 ASN 3 HD21 ASN 3 -14.750 4.181 12.698 23 HD22 ASN 3 HD22 ASN 3 -15.287 2.541 12.863 24 H SER 4 H SER 4 -15.437 5.630 7.216 25 HA SER 4 HA SER 4 -16.433 8.335 7.437 26 HB2 SER 4 HB2 SER 4 -13.741 7.785 6.149 27 HB3 SER 4 HB3 SER 4 -14.600 9.323 6.094 28 HG SER 4 HG SER 4 -14.386 8.473 8.641 29 H GLY 5 H GLY 5 -16.803 5.489 6.175 30 HA2 GLY 5 HA2 GLY 5 -18.469 5.557 4.263 31 HA3 GLY 5 HA3 GLY 5 -17.191 6.397 3.393 32 H ALA 6 H ALA 6 -17.718 4.469 1.931 33 HA ALA 6 HA ALA 6 -16.141 2.126 2.793 34 HB1 ALA 6 HB1 ALA 6 -17.453 0.807 1.222 35 HB2 ALA 6 HB2 ALA 6 -18.338 2.252 0.730 36 HB3 ALA 6 HB3 ALA 6 -18.500 1.635 2.374 37 H TYR 7 H TYR 7 -15.770 4.816 1.043 38 HA TYR 7 HA TYR 7 -14.576 3.609 -1.322 39 HB2 TYR 7 HB2 TYR 7 -14.266 5.909 -2.105 40 HB3 TYR 7 HB3 TYR 7 -15.930 5.630 -1.608 41 HD1 TYR 7 HD1 TYR 7 -16.725 6.564 0.585 42 HD2 TYR 7 HD2 TYR 7 -12.938 7.578 -1.074 43 HE1 TYR 7 HE1 TYR 7 -16.611 8.528 2.061 44 HE2 TYR 7 HE2 TYR 7 -12.814 9.542 0.396 45 HH TYR 7 HH TYR 7 -14.424 11.032 1.606 46 H THR 8 H THR 8 -13.565 3.734 1.639 47 HA THR 8 HA THR 8 -11.090 5.069 1.630 48 HB THR 8 HB THR 8 -11.718 2.616 3.265 49 HG1 THR 8 HG1 THR 8 -13.019 3.824 4.541 50 HG21 THR 8 HG21 THR 8 -10.379 3.722 4.962 51 HG22 THR 8 HG22 THR 8 -10.201 5.143 3.935 52 HG23 THR 8 HG23 THR 8 -9.458 3.615 3.462 53 H PHE 9 H PHE 9 -8.971 4.191 1.502 54 HA PHE 9 HA PHE 9 -8.358 2.613 -0.673 55 HB2 PHE 9 HB2 PHE 9 -6.793 4.119 0.557 56 HB3 PHE 9 HB3 PHE 9 -6.705 2.925 1.846 57 HD1 PHE 9 HD2 PHE 9 -5.733 0.646 1.303 58 HD2 PHE 9 HD1 PHE 9 -5.410 3.987 -1.307 59 HE1 PHE 9 HE2 PHE 9 -3.855 -0.443 0.145 60 HE2 PHE 9 HE1 PHE 9 -3.532 2.908 -2.465 61 HZ PHE 9 HZ PHE 9 -2.752 0.688 -1.740 62 H GLU 10 H GLU 10 -8.857 1.684 2.663 63 HA GLU 10 HA GLU 10 -7.825 -0.856 2.726 64 HB2 GLU 10 HB2 GLU 10 -10.312 0.151 4.119 65 HB3 GLU 10 HB3 GLU 10 -9.401 -1.283 4.572 66 HG2 GLU 10 HG2 GLU 10 -8.384 1.552 4.629 67 HG3 GLU 10 HG3 GLU 10 -8.867 0.590 6.026 68 H THR 11 H THR 11 -10.999 0.162 1.543 69 HA THR 11 HA THR 11 -12.233 -2.326 1.381 70 HB THR 11 HB THR 11 -12.666 -0.041 -0.543 71 HG1 THR 11 HG1 THR 11 -14.102 0.768 1.036 72 HG21 THR 11 HG21 THR 11 -14.982 -0.860 -0.557 73 HG22 THR 11 HG22 THR 11 -14.524 -2.169 0.531 74 HG23 THR 11 HG23 THR 11 -13.857 -2.105 -1.101 75 H ILE 12 H ILE 12 -10.394 -0.574 -1.112 76 HA ILE 12 HA ILE 12 -10.657 -2.693 -3.023 77 HB ILE 12 HB ILE 12 -8.847 -0.270 -3.057 78 HG12 ILE 12 HG12 ILE 12 -11.543 -0.777 -4.343 79 HG13 ILE 12 HG13 ILE 12 -11.227 0.309 -2.994 80 HG21 ILE 12 HG21 ILE 12 -7.999 -2.008 -4.529 81 HG22 ILE 12 HG22 ILE 12 -8.667 -0.676 -5.472 82 HG23 ILE 12 HG23 ILE 12 -9.586 -2.170 -5.285 83 HD11 ILE 12 HD11 ILE 12 -9.829 1.691 -4.454 84 HD12 ILE 12 HD12 ILE 12 -11.482 1.547 -5.051 85 HD13 ILE 12 HD13 ILE 12 -10.189 0.613 -5.803 86 H ALA 13 H ALA 13 -8.292 -1.735 -0.639 87 HA ALA 13 HA ALA 13 -6.091 -3.220 -1.547 88 HB1 ALA 13 HB1 ALA 13 -5.233 -3.030 0.716 89 HB2 ALA 13 HB2 ALA 13 -6.828 -2.555 1.299 90 HB3 ALA 13 HB3 ALA 13 -5.944 -1.502 0.194 91 H ARG 14 H ARG 14 -8.865 -4.148 0.411 92 HA ARG 14 HA ARG 14 -7.845 -6.671 1.217 93 HB2 ARG 14 HB2 ARG 14 -10.508 -5.349 1.297 94 HB3 ARG 14 HB3 ARG 14 -10.459 -7.095 1.479 95 HG2 ARG 14 HG2 ARG 14 -10.435 -5.810 3.620 96 HG3 ARG 14 HG3 ARG 14 -9.097 -6.945 3.425 97 HD2 ARG 14 HD2 ARG 14 -7.602 -5.174 2.841 98 HD3 ARG 14 HD3 ARG 14 -8.921 -4.008 2.786 99 HE ARG 14 HE ARG 14 -8.788 -5.159 5.351 100 HH11 ARG 14 HH11 ARG 14 -6.998 -3.003 3.263 101 HH12 ARG 14 HH12 ARG 14 -6.409 -2.010 4.564 102 HH21 ARG 14 HH21 ARG 14 -7.974 -3.875 7.081 103 HH22 ARG 14 HH22 ARG 14 -6.973 -2.496 6.714 104 H GLU 15 H GLU 15 -9.342 -5.573 -1.684 105 HA GLU 15 HA GLU 15 -10.643 -7.849 -2.584 106 HB2 GLU 15 HB2 GLU 15 -10.635 -5.522 -3.607 107 HB3 GLU 15 HB3 GLU 15 -9.097 -5.945 -4.346 108 HG2 GLU 15 HG2 GLU 15 -10.867 -6.244 -5.938 109 HG3 GLU 15 HG3 GLU 15 -10.195 -7.816 -5.507 110 H TRP 16 H TRP 16 -7.319 -6.825 -3.412 111 HA TRP 16 HA TRP 16 -6.698 -9.451 -4.418 112 HB2 TRP 16 HB2 TRP 16 -4.405 -8.486 -4.750 113 HB3 TRP 16 HB3 TRP 16 -5.696 -7.623 -5.577 114 HD1 TRP 16 HD1 TRP 16 -6.223 -5.130 -4.767 115 HE1 TRP 16 HE1 TRP 16 -4.922 -3.476 -3.286 116 HE3 TRP 16 HE3 TRP 16 -2.818 -8.356 -2.725 117 HZ2 TRP 16 HZ2 TRP 16 -2.753 -3.533 -1.483 118 HZ3 TRP 16 HZ3 TRP 16 -1.167 -7.472 -1.133 119 HH2 TRP 16 HH2 TRP 16 -1.143 -5.116 -0.528 120 H HIS 17 H HIS 17 -6.066 -7.636 -1.470 121 HA HIS 17 HA HIS 17 -3.865 -9.125 -0.571 122 HB2 HIS 17 HB2 HIS 17 -4.382 -6.907 0.306 123 HB3 HIS 17 HB3 HIS 17 -5.850 -7.526 1.056 124 HD1 HIS 17 HD1 HIS 17 -5.486 -7.655 3.494 125 HD2 HIS 17 HD2 HIS 17 -2.090 -8.773 1.384 126 HE1 HIS 17 HE1 HIS 17 -3.798 -8.315 5.235 127 HE2 HIS 17 HE2 HIS 17 -1.842 -9.200 3.923 128 H GLU 18 H GLU 18 -7.287 -9.861 -0.331 129 HA GLU 18 HA GLU 18 -6.928 -11.650 1.888 130 HB2 GLU 18 HB2 GLU 18 -9.269 -11.264 0.025 131 HB3 GLU 18 HB3 GLU 18 -9.277 -12.350 1.412 132 HG2 GLU 18 HG2 GLU 18 -8.707 -10.377 2.841 133 HG3 GLU 18 HG3 GLU 18 -8.981 -9.360 1.429 134 H SER 19 H SER 19 -5.876 -11.939 -1.171 135 HA SER 19 HA SER 19 -6.257 -14.816 -1.357 136 HB2 SER 19 HB2 SER 19 -6.195 -13.432 -3.420 137 HB3 SER 19 HB3 SER 19 -4.542 -12.955 -3.035 138 HG SER 19 HG SER 19 -5.335 -15.083 -4.388 139 H ASN 20 H ASN 20 -4.593 -13.025 0.678 140 HA ASN 20 HA ASN 20 -1.972 -14.269 0.457 141 HB2 ASN 20 HB2 ASN 20 -2.613 -11.813 1.225 142 HB3 ASN 20 HB3 ASN 20 -2.780 -12.583 2.797 143 HD21 ASN 20 HD21 ASN 20 -0.655 -14.504 2.364 144 HD22 ASN 20 HD22 ASN 20 0.837 -13.621 2.423 145 H LYS 21 H LYS 21 -4.487 -15.773 1.094 146 HA LYS 21 HA LYS 21 -4.949 -17.692 2.183 147 HB2 LYS 21 HB2 LYS 21 -2.181 -17.309 3.310 148 HB3 LYS 21 HB3 LYS 21 -3.179 -18.716 3.651 149 HG2 LYS 21 HG2 LYS 21 -2.322 -17.843 0.900 150 HG3 LYS 21 HG3 LYS 21 -1.534 -19.098 1.855 151 HD2 LYS 21 HD2 LYS 21 -3.578 -20.417 1.854 152 HD3 LYS 21 HD3 LYS 21 -4.423 -19.141 0.976 153 HE2 LYS 21 HE2 LYS 21 -3.012 -19.461 -0.947 154 HE3 LYS 21 HE3 LYS 21 -2.008 -20.615 -0.068 155 HZ1 LYS 21 HZ1 LYS 21 -4.883 -20.995 -0.727 156 HZ2 LYS 21 HZ2 LYS 21 -3.884 -22.113 0.066 157 HZ3 LYS 21 HZ3 LYS 21 -3.588 -21.711 -1.552 158 H ARG 22 H ARG 22 -4.467 -18.543 4.766 159 HA ARG 22 HA ARG 22 -5.372 -18.453 6.833 160 HB2 ARG 22 HB2 ARG 22 -4.559 -15.722 6.395 161 HB3 ARG 22 HB3 ARG 22 -6.064 -15.764 7.303 162 HG2 ARG 22 HG2 ARG 22 -4.159 -15.703 8.794 163 HG3 ARG 22 HG3 ARG 22 -5.024 -17.230 8.959 164 HD2 ARG 22 HD2 ARG 22 -3.365 -18.345 7.578 165 HD3 ARG 22 HD3 ARG 22 -2.518 -16.820 7.330 166 HE ARG 22 HE ARG 22 -2.792 -17.454 10.098 167 HH11 ARG 22 HH11 ARG 22 -0.923 -18.260 7.241 168 HH12 ARG 22 HH12 ARG 22 0.518 -18.632 8.144 169 HH21 ARG 22 HH21 ARG 22 -0.898 -17.974 11.277 170 HH22 ARG 22 HH22 ARG 22 0.525 -18.485 10.415 171 H TRP 23 H TRP 23 -7.260 -19.428 6.742 172 HA TRP 23 HA TRP 23 -9.350 -18.620 5.020 173 HB2 TRP 23 HB2 TRP 23 -10.641 -20.460 6.154 174 HB3 TRP 23 HB3 TRP 23 -9.108 -20.943 5.443 175 HD1 TRP 23 HD1 TRP 23 -10.931 -20.746 8.761 176 HE1 TRP 23 HE1 TRP 23 -9.500 -21.871 10.586 177 HE3 TRP 23 HE3 TRP 23 -6.592 -21.378 6.120 178 HZ2 TRP 23 HZ2 TRP 23 -6.881 -22.876 10.867 179 HZ3 TRP 23 HZ3 TRP 23 -4.675 -22.433 7.245 180 HH2 TRP 23 HH2 TRP 23 -4.819 -23.166 9.569 181 H SER 24 H SER 24 -8.720 -18.000 8.402 182 HA SER 24 HA SER 24 -11.350 -17.008 8.946 183 HB2 SER 24 HB2 SER 24 -8.748 -16.587 10.435 184 HB3 SER 24 HB3 SER 24 -10.351 -16.167 11.042 185 HG SER 24 HG SER 24 -10.814 -18.509 10.602 186 H GLU 25 H GLU 25 -12.090 -15.300 7.892 187 HA GLU 25 HA GLU 25 -10.500 -13.459 6.484 188 HB2 GLU 25 HB2 GLU 25 -13.231 -12.664 7.396 189 HB3 GLU 25 HB3 GLU 25 -12.469 -12.432 5.833 190 HG2 GLU 25 HG2 GLU 25 -14.042 -13.996 5.317 191 HG3 GLU 25 HG3 GLU 25 -12.669 -15.040 5.695 192 H ASP 26 H ASP 26 -11.562 -13.547 9.743 193 HA ASP 26 HA ASP 26 -11.967 -10.917 10.414 194 HB2 ASP 26 HB2 ASP 26 -12.429 -12.855 11.874 195 HB3 ASP 26 HB3 ASP 26 -10.700 -13.035 12.161 196 H HIS 27 H HIS 27 -8.908 -12.532 9.936 197 HA HIS 27 HA HIS 27 -7.257 -10.864 11.426 198 HB2 HIS 27 HB2 HIS 27 -5.403 -11.747 10.227 199 HB3 HIS 27 HB3 HIS 27 -6.573 -13.037 10.420 200 HD1 HIS 27 HD1 HIS 27 -4.215 -12.373 8.157 201 HD2 HIS 27 HD2 HIS 27 -8.344 -12.604 7.708 202 HE1 HIS 27 HE1 HIS 27 -4.606 -12.889 5.726 203 HE2 HIS 27 HE2 HIS 27 -7.085 -13.276 5.549 204 H ARG 28 H ARG 28 -8.772 -10.229 8.342 205 HA ARG 28 HA ARG 28 -6.961 -8.236 7.464 206 HB2 ARG 28 HB2 ARG 28 -8.805 -7.477 5.960 207 HB3 ARG 28 HB3 ARG 28 -8.412 -9.181 5.828 208 HG2 ARG 28 HG2 ARG 28 -10.716 -9.171 5.762 209 HG3 ARG 28 HG3 ARG 28 -10.378 -9.537 7.453 210 HD2 ARG 28 HD2 ARG 28 -10.649 -7.064 7.904 211 HD3 ARG 28 HD3 ARG 28 -11.275 -6.925 6.260 212 HE ARG 28 HE ARG 28 -12.516 -8.814 8.132 213 HH11 ARG 28 HH11 ARG 28 -12.730 -5.904 6.192 214 HH12 ARG 28 HH12 ARG 28 -14.459 -5.777 6.356 215 HH21 ARG 28 HH21 ARG 28 -14.749 -8.643 8.379 216 HH22 ARG 28 HH22 ARG 28 -15.614 -7.337 7.616 217 H SER 29 H SER 29 -9.467 -8.177 9.842 218 HA SER 29 HA SER 29 -9.780 -5.323 9.851 219 HB2 SER 29 HB2 SER 29 -10.524 -7.362 11.962 220 HB3 SER 29 HB3 SER 29 -11.084 -5.689 11.897 221 HG SER 29 HG SER 29 -12.218 -6.144 10.036 222 H ARG 30 H ARG 30 -7.833 -7.676 11.605 223 HA ARG 30 HA ARG 30 -6.874 -5.724 13.487 224 HB2 ARG 30 HB2 ARG 30 -6.334 -8.623 13.015 225 HB3 ARG 30 HB3 ARG 30 -5.220 -7.687 14.002 226 HG2 ARG 30 HG2 ARG 30 -7.087 -7.030 15.455 227 HG3 ARG 30 HG3 ARG 30 -8.166 -8.040 14.492 228 HD2 ARG 30 HD2 ARG 30 -7.080 -10.013 15.150 229 HD3 ARG 30 HD3 ARG 30 -5.688 -9.131 15.780 230 HE ARG 30 HE ARG 30 -7.522 -8.209 17.409 231 HH11 ARG 30 HH11 ARG 30 -7.272 -11.467 16.160 232 HH12 ARG 30 HH12 ARG 30 -7.883 -12.208 17.609 233 HH21 ARG 30 HH21 ARG 30 -8.289 -9.177 19.338 234 HH22 ARG 30 HH22 ARG 30 -8.443 -10.909 19.425 235 H VAL 31 H VAL 31 -5.587 -7.299 10.582 236 HA VAL 31 HA VAL 31 -2.959 -6.319 10.841 237 HB VAL 31 HB VAL 31 -2.676 -6.733 8.442 238 HG11 VAL 31 HG11 VAL 31 -2.497 -8.587 10.007 239 HG12 VAL 31 HG12 VAL 31 -3.156 -9.124 8.462 240 HG13 VAL 31 HG13 VAL 31 -4.225 -8.902 9.848 241 HG21 VAL 31 HG21 VAL 31 -4.804 -5.954 7.604 242 HG22 VAL 31 HG22 VAL 31 -5.645 -7.255 8.448 243 HG23 VAL 31 HG23 VAL 31 -4.549 -7.630 7.119 244 H LEU 32 H LEU 32 -5.862 -4.731 10.047 245 HA LEU 32 HA LEU 32 -5.021 -2.574 8.495 246 HB2 LEU 32 HB2 LEU 32 -7.378 -3.201 9.178 247 HB3 LEU 32 HB3 LEU 32 -7.043 -2.484 10.740 248 HG LEU 32 HG LEU 32 -6.825 -0.878 8.199 249 HD11 LEU 32 HD11 LEU 32 -9.277 -1.246 9.920 250 HD12 LEU 32 HD12 LEU 32 -9.064 -1.882 8.289 251 HD13 LEU 32 HD13 LEU 32 -9.116 -0.140 8.555 252 HD21 LEU 32 HD21 LEU 32 -7.395 -0.098 11.061 253 HD22 LEU 32 HD22 LEU 32 -7.227 1.000 9.692 254 HD23 LEU 32 HD23 LEU 32 -5.838 0.066 10.249 255 H ARG 33 H ARG 33 -4.823 -3.162 11.951 256 HA ARG 33 HA ARG 33 -4.094 -0.605 12.837 257 HB2 ARG 33 HB2 ARG 33 -4.798 -2.583 14.238 258 HB3 ARG 33 HB3 ARG 33 -3.189 -3.245 13.998 259 HG2 ARG 33 HG2 ARG 33 -2.252 -1.221 15.077 260 HG3 ARG 33 HG3 ARG 33 -3.901 -0.692 15.421 261 HD2 ARG 33 HD2 ARG 33 -4.227 -2.919 16.582 262 HD3 ARG 33 HD3 ARG 33 -2.482 -3.139 16.447 263 HE ARG 33 HE ARG 33 -3.329 -0.661 17.680 264 HH11 ARG 33 HH11 ARG 33 -2.320 -3.984 18.152 265 HH12 ARG 33 HH12 ARG 33 -1.930 -3.755 19.837 266 HH21 ARG 33 HH21 ARG 33 -2.788 -0.351 19.872 267 HH22 ARG 33 HH22 ARG 33 -2.199 -1.693 20.807 268 H TYR 34 H TYR 34 -2.191 -3.302 11.628 269 HA TYR 34 HA TYR 34 0.328 -1.952 12.063 270 HB2 TYR 34 HB2 TYR 34 0.037 -4.435 12.280 271 HB3 TYR 34 HB3 TYR 34 -0.232 -4.509 10.544 272 HD1 TYR 34 HD2 TYR 34 2.291 -3.125 12.934 273 HD2 TYR 34 HD1 TYR 34 1.571 -5.104 9.239 274 HE1 TYR 34 HE2 TYR 34 4.714 -3.356 12.592 275 HE2 TYR 34 HE1 TYR 34 3.992 -5.343 8.888 276 HH TYR 34 HH TYR 34 6.280 -4.719 11.373 277 H LEU 35 H LEU 35 -1.837 -2.724 9.409 278 HA LEU 35 HA LEU 35 -0.200 -2.028 7.247 279 HB2 LEU 35 HB2 LEU 35 -2.329 -3.304 7.128 280 HB3 LEU 35 HB3 LEU 35 -3.209 -1.828 7.461 281 HG LEU 35 HG LEU 35 -1.415 -1.914 5.067 282 HD11 LEU 35 HD11 LEU 35 -2.690 -3.998 4.949 283 HD12 LEU 35 HD12 LEU 35 -3.234 -2.845 3.729 284 HD13 LEU 35 HD13 LEU 35 -4.188 -3.098 5.191 285 HD21 LEU 35 HD21 LEU 35 -3.143 -0.432 4.162 286 HD22 LEU 35 HD22 LEU 35 -2.507 0.181 5.689 287 HD23 LEU 35 HD23 LEU 35 -4.078 -0.616 5.647 288 H GLU 36 H GLU 36 -2.275 -0.087 9.306 289 HA GLU 36 HA GLU 36 -2.430 2.292 7.917 290 HB2 GLU 36 HB2 GLU 36 -3.127 1.390 10.425 291 HB3 GLU 36 HB3 GLU 36 -1.925 2.616 10.792 292 HG2 GLU 36 HG2 GLU 36 -4.211 3.204 8.952 293 HG3 GLU 36 HG3 GLU 36 -4.407 3.279 10.699 294 H LEU 37 H LEU 37 0.259 0.976 9.749 295 HA LEU 37 HA LEU 37 1.851 3.386 9.207 296 HB2 LEU 37 HB2 LEU 37 2.273 1.073 11.095 297 HB3 LEU 37 HB3 LEU 37 3.495 2.293 10.789 298 HG LEU 37 HG LEU 37 0.761 2.803 11.972 299 HD11 LEU 37 HD11 LEU 37 3.496 2.780 13.237 300 HD12 LEU 37 HD12 LEU 37 2.207 1.608 13.509 301 HD13 LEU 37 HD13 LEU 37 2.002 3.279 14.031 302 HD21 LEU 37 HD21 LEU 37 1.612 5.062 12.394 303 HD22 LEU 37 HD22 LEU 37 1.551 4.701 10.670 304 HD23 LEU 37 HD23 LEU 37 3.094 4.662 11.522 305 H TYR 38 H TYR 38 1.506 0.062 8.370 306 HA TYR 38 HA TYR 38 4.210 -0.359 7.535 307 HB2 TYR 38 HB2 TYR 38 2.634 -2.122 8.411 308 HB3 TYR 38 HB3 TYR 38 1.784 -2.028 6.873 309 HD1 TYR 38 HD1 TYR 38 5.423 -2.071 7.700 310 HD2 TYR 38 HD2 TYR 38 2.187 -3.984 5.713 311 HE1 TYR 38 HE1 TYR 38 6.981 -3.728 6.780 312 HE2 TYR 38 HE2 TYR 38 3.737 -5.644 4.777 313 HH TYR 38 HH TYR 38 7.006 -5.917 5.863 314 H ILE 39 H ILE 39 1.153 0.329 5.898 315 HA ILE 39 HA ILE 39 2.524 0.284 3.314 316 HB ILE 39 HB ILE 39 -0.419 0.603 3.941 317 HG12 ILE 39 HG12 ILE 39 0.444 -1.632 4.473 318 HG13 ILE 39 HG13 ILE 39 -0.632 -1.683 3.082 319 HG21 ILE 39 HG21 ILE 39 0.952 0.226 1.282 320 HG22 ILE 39 HG22 ILE 39 0.190 1.711 1.854 321 HG23 ILE 39 HG23 ILE 39 -0.791 0.276 1.554 322 HD11 ILE 39 HD11 ILE 39 2.375 -1.739 2.994 323 HD12 ILE 39 HD12 ILE 39 1.302 -1.787 1.594 324 HD13 ILE 39 HD13 ILE 39 1.298 -3.115 2.756 325 H PHE 40 H PHE 40 0.913 2.477 5.536 326 HA PHE 40 HA PHE 40 1.713 4.714 3.789 327 HB2 PHE 40 HB2 PHE 40 -0.550 4.791 5.786 328 HB3 PHE 40 HB3 PHE 40 -0.170 5.982 4.549 329 HD1 PHE 40 HD2 PHE 40 -0.544 5.390 2.140 330 HD2 PHE 40 HD1 PHE 40 -1.936 2.963 5.346 331 HE1 PHE 40 HE2 PHE 40 -2.129 4.289 0.616 332 HE2 PHE 40 HE1 PHE 40 -3.520 1.855 3.825 333 HZ PHE 40 HZ PHE 40 -3.622 2.519 1.458 334 HA PRO 41 HA PRO 41 4.008 5.114 7.785 335 HB2 PRO 41 HB2 PRO 41 6.112 6.258 6.089 336 HB3 PRO 41 HB3 PRO 41 6.204 4.907 7.221 337 HG2 PRO 41 HG2 PRO 41 6.326 4.552 4.547 338 HG3 PRO 41 HG3 PRO 41 5.584 3.356 5.627 339 HD2 PRO 41 HD2 PRO 41 4.275 5.410 3.882 340 HD3 PRO 41 HD3 PRO 41 3.801 3.725 4.194 341 H HIS 42 H HIS 42 4.702 7.485 5.188 342 HA HIS 42 HA HIS 42 3.631 9.566 6.966 343 HB2 HIS 42 HB2 HIS 42 6.000 9.837 6.228 344 HB3 HIS 42 HB3 HIS 42 5.430 9.957 4.565 345 HD1 HIS 42 HD1 HIS 42 5.722 12.345 3.947 346 HD2 HIS 42 HD2 HIS 42 4.083 11.895 7.745 347 HE1 HIS 42 HE1 HIS 42 5.133 14.666 4.718 348 HE2 HIS 42 HE2 HIS 42 3.987 14.343 6.933 349 H ILE 43 H ILE 43 2.940 7.794 4.194 350 HA ILE 43 HA ILE 43 1.679 9.967 2.742 351 HB ILE 43 HB ILE 43 1.295 8.281 0.967 352 HG12 ILE 43 HG12 ILE 43 2.873 6.435 2.775 353 HG13 ILE 43 HG13 ILE 43 1.146 6.299 2.465 354 HG21 ILE 43 HG21 ILE 43 4.129 8.450 1.977 355 HG22 ILE 43 HG22 ILE 43 3.302 9.665 1.003 356 HG23 ILE 43 HG23 ILE 43 3.636 8.070 0.326 357 HD11 ILE 43 HD11 ILE 43 3.339 6.020 0.423 358 HD12 ILE 43 HD12 ILE 43 1.609 5.898 0.102 359 HD13 ILE 43 HD13 ILE 43 2.400 4.709 1.138 360 H GLY 44 H GLY 44 0.579 8.568 5.293 361 HA2 GLY 44 HA2 GLY 44 -1.833 7.287 4.474 362 HA3 GLY 44 HA3 GLY 44 -1.447 7.839 6.096 363 H SER 45 H SER 45 -1.065 10.410 3.999 364 HA SER 45 HA SER 45 -3.759 11.384 4.629 365 HB2 SER 45 HB2 SER 45 -2.669 13.661 4.110 366 HB3 SER 45 HB3 SER 45 -2.205 12.848 5.604 367 HG SER 45 HG SER 45 -0.251 13.046 4.887 368 H SER 46 H SER 46 -2.339 9.893 2.171 369 HA SER 46 HA SER 46 -3.407 11.621 0.063 370 HB2 SER 46 HB2 SER 46 -1.716 9.114 -0.084 371 HB3 SER 46 HB3 SER 46 -2.281 10.024 -1.483 372 HG SER 46 HG SER 46 -0.650 11.066 0.605 373 H ASP 47 H ASP 47 -5.008 10.976 -1.341 374 HA ASP 47 HA ASP 47 -6.816 8.939 -0.341 375 HB2 ASP 47 HB2 ASP 47 -7.009 11.265 -2.144 376 HB3 ASP 47 HB3 ASP 47 -8.009 9.891 -2.598 377 H ILE 48 H ILE 48 -7.536 7.153 -1.527 378 HA ILE 48 HA ILE 48 -5.684 6.083 -3.448 379 HB ILE 48 HB ILE 48 -6.814 4.596 -1.862 380 HG12 ILE 48 HG12 ILE 48 -7.628 4.050 -4.730 381 HG13 ILE 48 HG13 ILE 48 -6.046 3.710 -4.036 382 HG21 ILE 48 HG21 ILE 48 -9.200 4.065 -2.122 383 HG22 ILE 48 HG22 ILE 48 -9.342 5.343 -3.329 384 HG23 ILE 48 HG23 ILE 48 -8.938 5.747 -1.661 385 HD11 ILE 48 HD11 ILE 48 -7.065 2.108 -2.503 386 HD12 ILE 48 HD12 ILE 48 -7.391 1.700 -4.188 387 HD13 ILE 48 HD13 ILE 48 -8.647 2.450 -3.203 388 H ARG 49 H ARG 49 -8.596 7.892 -3.529 389 HA ARG 49 HA ARG 49 -9.325 7.239 -6.229 390 HB2 ARG 49 HB2 ARG 49 -10.940 9.140 -5.948 391 HB3 ARG 49 HB3 ARG 49 -11.096 7.862 -4.751 392 HG2 ARG 49 HG2 ARG 49 -9.812 9.229 -3.158 393 HG3 ARG 49 HG3 ARG 49 -9.742 10.519 -4.360 394 HD2 ARG 49 HD2 ARG 49 -12.147 10.722 -4.343 395 HD3 ARG 49 HD3 ARG 49 -12.287 9.345 -3.248 396 HE ARG 49 HE ARG 49 -10.953 10.802 -1.646 397 HH11 ARG 49 HH11 ARG 49 -13.023 12.147 -4.134 398 HH12 ARG 49 HH12 ARG 49 -13.463 13.545 -3.195 399 HH21 ARG 49 HH21 ARG 49 -11.483 12.660 -0.424 400 HH22 ARG 49 HH22 ARG 49 -12.557 13.853 -1.098 401 H GLN 50 H GLN 50 -6.901 9.079 -4.905 402 HA GLN 50 HA GLN 50 -6.123 9.959 -7.502 403 HB2 GLN 50 HB2 GLN 50 -7.610 11.812 -6.752 404 HB3 GLN 50 HB3 GLN 50 -6.562 12.045 -5.359 405 HG2 GLN 50 HG2 GLN 50 -6.120 13.654 -7.119 406 HG3 GLN 50 HG3 GLN 50 -4.719 12.638 -6.802 407 HE21 GLN 50 HE21 GLN 50 -4.033 11.188 -8.360 408 HE22 GLN 50 HE22 GLN 50 -4.613 11.233 -9.987 409 H LEU 51 H LEU 51 -4.457 8.474 -6.976 410 HA LEU 51 HA LEU 51 -2.776 9.140 -4.686 411 HB2 LEU 51 HB2 LEU 51 -3.597 6.774 -5.198 412 HB3 LEU 51 HB3 LEU 51 -2.440 6.775 -6.515 413 HG LEU 51 HG LEU 51 -0.594 7.030 -4.962 414 HD11 LEU 51 HD11 LEU 51 -2.703 7.076 -2.805 415 HD12 LEU 51 HD12 LEU 51 -1.687 8.433 -3.296 416 HD13 LEU 51 HD13 LEU 51 -0.960 7.015 -2.542 417 HD21 LEU 51 HD21 LEU 51 -1.396 4.765 -5.426 418 HD22 LEU 51 HD22 LEU 51 -2.504 4.878 -4.057 419 HD23 LEU 51 HD23 LEU 51 -0.761 4.900 -3.784 420 H LYS 52 H LYS 52 -0.372 8.951 -5.042 421 HA LYS 52 HA LYS 52 0.236 10.661 -7.357 422 HB2 LYS 52 HB2 LYS 52 1.425 10.646 -4.577 423 HB3 LYS 52 HB3 LYS 52 1.956 11.694 -5.887 424 HG2 LYS 52 HG2 LYS 52 -0.168 12.800 -5.945 425 HG3 LYS 52 HG3 LYS 52 -0.857 11.645 -4.809 426 HD2 LYS 52 HD2 LYS 52 0.701 12.459 -3.077 427 HD3 LYS 52 HD3 LYS 52 1.328 13.648 -4.226 428 HE2 LYS 52 HE2 LYS 52 -0.931 14.604 -4.430 429 HE3 LYS 52 HE3 LYS 52 -1.516 13.448 -3.235 430 HZ1 LYS 52 HZ1 LYS 52 -1.026 15.671 -2.322 431 HZ2 LYS 52 HZ2 LYS 52 0.608 15.460 -2.721 432 HZ3 LYS 52 HZ3 LYS 52 -0.123 14.443 -1.580 433 H THR 53 H THR 53 2.695 10.772 -7.732 434 HA THR 53 HA THR 53 3.567 8.191 -8.556 435 HB THR 53 HB THR 53 5.717 9.646 -9.082 436 HG1 THR 53 HG1 THR 53 3.786 11.699 -9.172 437 HG21 THR 53 HG21 THR 53 4.253 8.666 -10.766 438 HG22 THR 53 HG22 THR 53 4.666 10.326 -11.200 439 HG23 THR 53 HG23 THR 53 3.079 9.961 -10.520 440 H SER 54 H SER 54 6.372 8.518 -8.254 441 HA SER 54 HA SER 54 6.638 6.902 -5.956 442 HB2 SER 54 HB2 SER 54 9.184 7.368 -6.711 443 HB3 SER 54 HB3 SER 54 8.112 6.222 -7.521 444 HG SER 54 HG SER 54 8.445 7.401 -9.216 445 H HIS 55 H HIS 55 6.104 9.994 -5.613 446 HA HIS 55 HA HIS 55 8.280 10.880 -4.001 447 HB2 HIS 55 HB2 HIS 55 5.364 11.686 -3.842 448 HB3 HIS 55 HB3 HIS 55 6.707 12.538 -3.087 449 HD1 HIS 55 HD1 HIS 55 8.298 13.886 -4.682 450 HD2 HIS 55 HD2 HIS 55 5.005 12.147 -6.536 451 HE1 HIS 55 HE1 HIS 55 8.125 14.995 -6.939 452 HE2 HIS 55 HE2 HIS 55 6.086 13.971 -8.025 453 H LEU 56 H LEU 56 5.514 8.874 -3.541 454 HA LEU 56 HA LEU 56 5.588 8.684 -0.721 455 HB2 LEU 56 HB2 LEU 56 4.269 6.567 -1.105 456 HB3 LEU 56 HB3 LEU 56 3.580 8.043 -1.745 457 HG LEU 56 HG LEU 56 4.622 7.325 -3.991 458 HD11 LEU 56 HD11 LEU 56 4.885 4.914 -4.286 459 HD12 LEU 56 HD12 LEU 56 4.655 4.677 -2.554 460 HD13 LEU 56 HD13 LEU 56 6.064 5.558 -3.143 461 HD21 LEU 56 HD21 LEU 56 2.228 7.351 -3.527 462 HD22 LEU 56 HD22 LEU 56 2.346 5.745 -2.805 463 HD23 LEU 56 HD23 LEU 56 2.675 5.967 -4.524 464 H LEU 57 H LEU 57 7.730 7.511 -3.056 465 HA LEU 57 HA LEU 57 8.455 5.028 -1.870 466 HB2 LEU 57 HB2 LEU 57 8.915 5.417 -4.193 467 HB3 LEU 57 HB3 LEU 57 9.882 6.830 -3.820 468 HG LEU 57 HG LEU 57 11.563 5.374 -2.736 469 HD11 LEU 57 HD11 LEU 57 9.863 3.111 -3.779 470 HD12 LEU 57 HD12 LEU 57 10.091 3.537 -2.082 471 HD13 LEU 57 HD13 LEU 57 11.456 2.959 -3.039 472 HD21 LEU 57 HD21 LEU 57 10.878 4.607 -5.571 473 HD22 LEU 57 HD22 LEU 57 12.444 4.393 -4.789 474 HD23 LEU 57 HD23 LEU 57 11.816 6.015 -5.073 475 H ALA 58 H ALA 58 9.387 8.336 -1.270 476 HA ALA 58 HA ALA 58 11.916 7.971 -0.182 477 HB1 ALA 58 HB1 ALA 58 10.963 10.171 -0.695 478 HB2 ALA 58 HB2 ALA 58 11.623 10.099 0.939 479 HB3 ALA 58 HB3 ALA 58 9.879 10.017 0.687 480 HA PRO 59 HA PRO 59 9.898 7.300 4.230 481 HB2 PRO 59 HB2 PRO 59 7.228 6.319 3.407 482 HB3 PRO 59 HB3 PRO 59 7.693 7.336 4.765 483 HG2 PRO 59 HG2 PRO 59 6.450 8.386 2.664 484 HG3 PRO 59 HG3 PRO 59 7.754 9.269 3.485 485 HD2 PRO 59 HD2 PRO 59 7.832 7.718 0.922 486 HD3 PRO 59 HD3 PRO 59 8.596 9.269 1.324 487 H ILE 60 H ILE 60 8.919 5.381 1.450 488 HA ILE 60 HA ILE 60 8.923 2.869 2.802 489 HB ILE 60 HB ILE 60 9.198 3.437 -0.159 490 HG12 ILE 60 HG12 ILE 60 7.147 4.405 0.724 491 HG13 ILE 60 HG13 ILE 60 6.768 2.989 -0.249 492 HG21 ILE 60 HG21 ILE 60 8.413 0.907 1.286 493 HG22 ILE 60 HG22 ILE 60 9.905 1.182 0.386 494 HG23 ILE 60 HG23 ILE 60 8.360 1.146 -0.461 495 HD11 ILE 60 HD11 ILE 60 5.405 3.058 1.750 496 HD12 ILE 60 HD12 ILE 60 6.851 3.104 2.758 497 HD13 ILE 60 HD13 ILE 60 6.493 1.671 1.795 498 H LYS 61 H LYS 61 11.298 4.835 1.200 499 HA LYS 61 HA LYS 61 13.217 2.743 0.808 500 HB2 LYS 61 HB2 LYS 61 14.563 4.287 -0.185 501 HB3 LYS 61 HB3 LYS 61 13.034 5.138 -0.320 502 HG2 LYS 61 HG2 LYS 61 13.662 6.762 1.101 503 HG3 LYS 61 HG3 LYS 61 14.555 5.652 2.142 504 HD2 LYS 61 HD2 LYS 61 15.533 6.513 -0.574 505 HD3 LYS 61 HD3 LYS 61 15.939 7.370 0.912 506 HE2 LYS 61 HE2 LYS 61 17.750 5.909 0.479 507 HE3 LYS 61 HE3 LYS 61 16.836 5.181 1.794 508 HZ1 LYS 61 HZ1 LYS 61 15.866 3.621 0.266 509 HZ2 LYS 61 HZ2 LYS 61 17.546 3.582 0.077 510 HZ3 LYS 61 HZ3 LYS 61 16.590 4.391 -1.063 511 H GLU 62 H GLU 62 12.357 4.831 3.380 512 HA GLU 62 HA GLU 62 14.627 4.773 4.985 513 HB2 GLU 62 HB2 GLU 62 12.555 6.124 5.350 514 HB3 GLU 62 HB3 GLU 62 11.741 4.662 5.881 515 HG2 GLU 62 HG2 GLU 62 13.090 4.508 7.814 516 HG3 GLU 62 HG3 GLU 62 14.200 5.747 7.222 517 H VAL 63 H VAL 63 12.274 2.333 4.261 518 HA VAL 63 HA VAL 63 12.955 0.585 6.431 519 HB VAL 63 HB VAL 63 11.409 0.011 3.898 520 HG11 VAL 63 HG11 VAL 63 11.615 -1.568 6.461 521 HG12 VAL 63 HG12 VAL 63 12.272 -2.035 4.894 522 HG13 VAL 63 HG13 VAL 63 10.525 -1.930 5.122 523 HG21 VAL 63 HG21 VAL 63 9.418 0.262 5.301 524 HG22 VAL 63 HG22 VAL 63 10.364 1.750 5.254 525 HG23 VAL 63 HG23 VAL 63 10.441 0.701 6.669 526 H ASP 64 H ASP 64 13.953 0.916 3.040 527 HA ASP 64 HA ASP 64 15.152 -1.672 2.936 528 HB2 ASP 64 HB2 ASP 64 16.030 -1.107 0.783 529 HB3 ASP 64 HB3 ASP 64 14.407 -0.447 0.879 530 H THR 65 H THR 65 16.307 1.522 3.741 531 HA THR 65 HA THR 65 19.068 0.710 3.701 532 HB THR 65 HB THR 65 17.853 3.288 4.709 533 HG1 THR 65 HG1 THR 65 17.850 2.345 2.273 534 HG21 THR 65 HG21 THR 65 20.678 2.607 3.870 535 HG22 THR 65 HG22 THR 65 20.137 2.904 5.521 536 HG23 THR 65 HG23 THR 65 20.101 4.208 4.333 537 H SER 66 H SER 66 16.659 1.448 6.213 538 HA SER 66 HA SER 66 18.695 0.792 8.229 539 HB2 SER 66 HB2 SER 66 16.130 2.364 8.533 540 HB3 SER 66 HB3 SER 66 17.326 2.086 9.801 541 HG SER 66 HG SER 66 18.857 3.184 8.469 542 H GLY 67 H GLY 67 16.434 -0.835 6.654 543 HA2 GLY 67 HA2 GLY 67 15.809 -2.477 9.015 544 HA3 GLY 67 HA3 GLY 67 14.546 -2.067 7.860 545 H LYS 68 H LYS 68 14.089 -4.020 6.992 546 HA LYS 68 HA LYS 68 16.264 -5.755 6.146 547 HB2 LYS 68 HB2 LYS 68 13.280 -6.199 6.007 548 HB3 LYS 68 HB3 LYS 68 14.521 -7.400 5.674 549 HG2 LYS 68 HG2 LYS 68 15.302 -7.109 8.037 550 HG3 LYS 68 HG3 LYS 68 13.873 -6.114 8.315 551 HD2 LYS 68 HD2 LYS 68 13.481 -8.413 9.033 552 HD3 LYS 68 HD3 LYS 68 12.438 -7.996 7.670 553 HE2 LYS 68 HE2 LYS 68 13.886 -9.158 6.143 554 HE3 LYS 68 HE3 LYS 68 15.055 -9.464 7.424 555 HZ1 LYS 68 HZ1 LYS 68 13.421 -10.855 8.536 556 HZ2 LYS 68 HZ2 LYS 68 13.700 -11.414 6.958 557 HZ3 LYS 68 HZ3 LYS 68 12.289 -10.545 7.310 558 H HIS 69 H HIS 69 17.126 -5.464 4.241 559 HA HIS 69 HA HIS 69 16.151 -3.708 2.303 560 HB2 HIS 69 HB2 HIS 69 17.946 -4.583 0.848 561 HB3 HIS 69 HB3 HIS 69 18.514 -4.217 2.471 562 HD1 HIS 69 HD1 HIS 69 18.725 -6.761 -0.045 563 HD2 HIS 69 HD2 HIS 69 18.626 -6.722 4.115 564 HE1 HIS 69 HE1 HIS 69 19.621 -8.998 0.684 565 HE2 HIS 69 HE2 HIS 69 19.727 -8.874 3.202 566 H ASP 70 H ASP 70 15.626 -7.176 2.615 567 HA ASP 70 HA ASP 70 14.762 -7.504 -0.106 568 HB2 ASP 70 HB2 ASP 70 15.734 -9.394 1.022 569 HB3 ASP 70 HB3 ASP 70 14.543 -9.300 2.313 570 H VAL 71 H VAL 71 13.144 -7.197 3.024 571 HA VAL 71 HA VAL 71 10.545 -7.697 2.039 572 HB VAL 71 HB VAL 71 11.245 -7.826 4.463 573 HG11 VAL 71 HG11 VAL 71 11.006 -5.809 5.822 574 HG12 VAL 71 HG12 VAL 71 10.831 -4.847 4.354 575 HG13 VAL 71 HG13 VAL 71 12.348 -5.683 4.685 576 HG21 VAL 71 HG21 VAL 71 9.045 -7.151 5.305 577 HG22 VAL 71 HG22 VAL 71 8.929 -8.040 3.786 578 HG23 VAL 71 HG23 VAL 71 8.743 -6.286 3.798 579 H ALA 72 H ALA 72 12.491 -4.791 2.281 580 HA ALA 72 HA ALA 72 10.516 -2.854 1.898 581 HB1 ALA 72 HB1 ALA 72 13.362 -2.806 0.908 582 HB2 ALA 72 HB2 ALA 72 12.827 -2.353 2.526 583 HB3 ALA 72 HB3 ALA 72 12.306 -1.409 1.131 584 H GLN 73 H GLN 73 12.413 -4.661 -0.499 585 HA GLN 73 HA GLN 73 11.332 -3.485 -2.808 586 HB2 GLN 73 HB2 GLN 73 12.581 -6.170 -2.230 587 HB3 GLN 73 HB3 GLN 73 12.066 -5.709 -3.837 588 HG2 GLN 73 HG2 GLN 73 13.673 -3.636 -2.710 589 HG3 GLN 73 HG3 GLN 73 14.510 -5.184 -2.599 590 HE21 GLN 73 HE21 GLN 73 13.109 -2.826 -4.755 591 HE22 GLN 73 HE22 GLN 73 13.877 -3.407 -6.191 592 H ARG 74 H ARG 74 10.410 -6.337 -0.965 593 HA ARG 74 HA ARG 74 8.263 -7.131 -2.619 594 HB2 ARG 74 HB2 ARG 74 8.720 -7.627 0.331 595 HB3 ARG 74 HB3 ARG 74 7.582 -8.504 -0.687 596 HG2 ARG 74 HG2 ARG 74 9.250 -9.594 -1.853 597 HG3 ARG 74 HG3 ARG 74 10.468 -8.387 -1.444 598 HD2 ARG 74 HD2 ARG 74 10.983 -10.330 -0.197 599 HD3 ARG 74 HD3 ARG 74 10.294 -9.168 0.933 600 HE ARG 74 HE ARG 74 8.159 -10.676 0.155 601 HH11 ARG 74 HH11 ARG 74 11.326 -11.387 1.473 602 HH12 ARG 74 HH12 ARG 74 10.779 -12.810 2.327 603 HH21 ARG 74 HH21 ARG 74 7.455 -12.551 1.246 604 HH22 ARG 74 HH22 ARG 74 8.593 -13.488 2.167 605 H LEU 75 H LEU 75 8.516 -4.857 0.040 606 HA LEU 75 HA LEU 75 5.758 -4.380 0.396 607 HB2 LEU 75 HB2 LEU 75 7.680 -3.866 1.954 608 HB3 LEU 75 HB3 LEU 75 8.066 -2.510 0.917 609 HG LEU 75 HG LEU 75 6.799 -2.005 3.025 610 HD11 LEU 75 HD11 LEU 75 6.925 -0.402 1.204 611 HD12 LEU 75 HD12 LEU 75 5.350 -0.338 1.994 612 HD13 LEU 75 HD13 LEU 75 5.524 -1.152 0.439 613 HD21 LEU 75 HD21 LEU 75 4.536 -3.272 1.503 614 HD22 LEU 75 HD22 LEU 75 4.373 -2.334 2.987 615 HD23 LEU 75 HD23 LEU 75 5.251 -3.863 3.005 616 H GLN 76 H GLN 76 8.272 -2.615 -1.430 617 HA GLN 76 HA GLN 76 6.539 -0.591 -2.352 618 HB2 GLN 76 HB2 GLN 76 8.346 -0.116 -4.000 619 HB3 GLN 76 HB3 GLN 76 8.894 -0.189 -2.338 620 HG2 GLN 76 HG2 GLN 76 9.677 -2.497 -2.771 621 HG3 GLN 76 HG3 GLN 76 9.240 -2.276 -4.464 622 HE21 GLN 76 HE21 GLN 76 10.545 0.289 -2.493 623 HE22 GLN 76 HE22 GLN 76 12.070 0.389 -3.297 624 H GLN 77 H GLN 77 7.510 -3.664 -3.751 625 HA GLN 77 HA GLN 77 6.362 -3.390 -6.286 626 HB2 GLN 77 HB2 GLN 77 7.893 -5.202 -5.694 627 HB3 GLN 77 HB3 GLN 77 6.697 -5.877 -4.600 628 HG2 GLN 77 HG2 GLN 77 6.727 -7.162 -6.610 629 HG3 GLN 77 HG3 GLN 77 5.209 -6.273 -6.524 630 HE21 GLN 77 HE21 GLN 77 4.879 -6.426 -8.721 631 HE22 GLN 77 HE22 GLN 77 5.796 -5.522 -9.873 632 H ARG 78 H ARG 78 4.911 -4.063 -3.195 633 HA ARG 78 HA ARG 78 2.480 -5.190 -4.037 634 HB2 ARG 78 HB2 ARG 78 3.214 -3.595 -1.590 635 HB3 ARG 78 HB3 ARG 78 1.601 -4.245 -1.835 636 HG2 ARG 78 HG2 ARG 78 2.437 -6.490 -1.830 637 HG3 ARG 78 HG3 ARG 78 4.104 -5.912 -1.788 638 HD2 ARG 78 HD2 ARG 78 3.824 -5.023 0.405 639 HD3 ARG 78 HD3 ARG 78 2.083 -5.293 0.354 640 HE ARG 78 HE ARG 78 2.715 -7.750 0.246 641 HH11 ARG 78 HH11 ARG 78 4.733 -5.363 1.827 642 HH12 ARG 78 HH12 ARG 78 5.358 -6.477 3.000 643 HH21 ARG 78 HH21 ARG 78 3.530 -9.224 1.808 644 HH22 ARG 78 HH22 ARG 78 4.682 -8.664 2.992 645 H VAL 79 H VAL 79 3.543 -1.851 -3.786 646 HA VAL 79 HA VAL 79 1.014 -0.616 -3.992 647 HB VAL 79 HB VAL 79 3.643 0.493 -4.988 648 HG11 VAL 79 HG11 VAL 79 2.608 2.675 -4.510 649 HG12 VAL 79 HG12 VAL 79 1.101 1.852 -4.109 650 HG13 VAL 79 HG13 VAL 79 1.738 1.773 -5.752 651 HG21 VAL 79 HG21 VAL 79 3.869 1.509 -2.766 652 HG22 VAL 79 HG22 VAL 79 3.870 -0.252 -2.684 653 HG23 VAL 79 HG23 VAL 79 2.423 0.649 -2.235 654 H THR 80 H THR 80 3.365 -1.620 -6.429 655 HA THR 80 HA THR 80 2.009 -0.608 -8.683 656 HB THR 80 HB THR 80 3.825 -3.026 -8.627 657 HG1 THR 80 HG1 THR 80 4.847 -0.473 -9.141 658 HG21 THR 80 HG21 THR 80 3.323 -0.932 -10.750 659 HG22 THR 80 HG22 THR 80 2.690 -2.578 -10.766 660 HG23 THR 80 HG23 THR 80 4.428 -2.300 -10.882 661 H ALA 81 H ALA 81 1.673 -3.534 -6.803 662 HA ALA 81 HA ALA 81 0.049 -4.945 -8.692 663 HB1 ALA 81 HB1 ALA 81 1.360 -6.100 -6.966 664 HB2 ALA 81 HB2 ALA 81 -0.353 -6.514 -6.886 665 HB3 ALA 81 HB3 ALA 81 0.335 -5.382 -5.722 666 H ILE 82 H ILE 82 -0.534 -2.560 -6.248 667 HA ILE 82 HA ILE 82 -3.340 -3.053 -5.948 668 HB ILE 82 HB ILE 82 -1.776 -0.533 -5.337 669 HG12 ILE 82 HG12 ILE 82 -2.542 -2.786 -3.474 670 HG13 ILE 82 HG13 ILE 82 -0.944 -2.586 -4.183 671 HG21 ILE 82 HG21 ILE 82 -4.474 -1.476 -4.371 672 HG22 ILE 82 HG22 ILE 82 -4.165 -0.124 -5.461 673 HG23 ILE 82 HG23 ILE 82 -3.622 -0.046 -3.787 674 HD11 ILE 82 HD11 ILE 82 -1.022 -1.755 -1.901 675 HD12 ILE 82 HD12 ILE 82 -2.306 -0.631 -2.349 676 HD13 ILE 82 HD13 ILE 82 -0.696 -0.453 -3.044 677 H MET 83 H MET 83 -1.338 -1.060 -8.001 678 HA MET 83 HA MET 83 -3.197 0.839 -8.815 679 HB2 MET 83 HB2 MET 83 -0.764 -0.251 -10.208 680 HB3 MET 83 HB3 MET 83 -1.705 1.097 -10.834 681 HG2 MET 83 HG2 MET 83 -0.303 0.989 -8.175 682 HG3 MET 83 HG3 MET 83 0.224 1.883 -9.602 683 HE1 MET 83 HE1 MET 83 0.405 4.011 -7.941 684 HE2 MET 83 HE2 MET 83 -0.248 3.060 -6.606 685 HE3 MET 83 HE3 MET 83 -0.959 4.624 -7.006 686 H ARG 84 H ARG 84 -2.565 -2.364 -10.167 687 HA ARG 84 HA ARG 84 -3.943 -2.042 -12.571 688 HB2 ARG 84 HB2 ARG 84 -4.199 -4.537 -12.527 689 HB3 ARG 84 HB3 ARG 84 -2.554 -3.959 -12.301 690 HG2 ARG 84 HG2 ARG 84 -2.788 -4.296 -9.881 691 HG3 ARG 84 HG3 ARG 84 -4.418 -4.918 -10.141 692 HD2 ARG 84 HD2 ARG 84 -1.942 -6.111 -11.374 693 HD3 ARG 84 HD3 ARG 84 -2.650 -6.662 -9.856 694 HE ARG 84 HE ARG 84 -4.649 -6.675 -11.817 695 HH11 ARG 84 HH11 ARG 84 -1.618 -8.318 -11.164 696 HH12 ARG 84 HH12 ARG 84 -2.164 -9.833 -11.827 697 HH21 ARG 84 HH21 ARG 84 -5.355 -8.662 -12.688 698 HH22 ARG 84 HH22 ARG 84 -4.269 -10.025 -12.692 699 H TYR 85 H TYR 85 -5.159 -2.925 -9.366 700 HA TYR 85 HA TYR 85 -7.824 -3.421 -10.332 701 HB2 TYR 85 HB2 TYR 85 -6.749 -3.110 -7.519 702 HB3 TYR 85 HB3 TYR 85 -8.406 -3.569 -7.912 703 HD1 TYR 85 HD2 TYR 85 -8.766 -5.704 -9.257 704 HD2 TYR 85 HD1 TYR 85 -5.057 -4.729 -7.414 705 HE1 TYR 85 HE2 TYR 85 -8.081 -8.063 -9.401 706 HE2 TYR 85 HE1 TYR 85 -4.363 -7.082 -7.553 707 HH TYR 85 HH TYR 85 -5.938 -9.363 -9.458 708 H ALA 86 H ALA 86 -6.065 -0.721 -8.990 709 HA ALA 86 HA ALA 86 -8.323 0.939 -8.511 710 HB1 ALA 86 HB1 ALA 86 -6.118 1.337 -7.482 711 HB2 ALA 86 HB2 ALA 86 -6.727 2.758 -8.333 712 HB3 ALA 86 HB3 ALA 86 -5.472 1.761 -9.068 713 H VAL 87 H VAL 87 -6.105 0.531 -11.237 714 HA VAL 87 HA VAL 87 -7.252 2.573 -12.849 715 HB VAL 87 HB VAL 87 -5.548 0.211 -13.675 716 HG11 VAL 87 HG11 VAL 87 -6.715 1.134 -15.597 717 HG12 VAL 87 HG12 VAL 87 -5.002 1.545 -15.663 718 HG13 VAL 87 HG13 VAL 87 -6.179 2.759 -15.164 719 HG21 VAL 87 HG21 VAL 87 -4.438 1.617 -12.049 720 HG22 VAL 87 HG22 VAL 87 -4.820 3.056 -12.995 721 HG23 VAL 87 HG23 VAL 87 -3.710 1.844 -13.639 722 H GLN 88 H GLN 88 -8.306 -0.594 -12.101 723 HA GLN 88 HA GLN 88 -9.709 -1.342 -14.376 724 HB2 GLN 88 HB2 GLN 88 -10.432 -1.693 -11.466 725 HB3 GLN 88 HB3 GLN 88 -11.335 -2.432 -12.779 726 HG2 GLN 88 HG2 GLN 88 -8.437 -2.902 -12.138 727 HG3 GLN 88 HG3 GLN 88 -9.771 -4.002 -11.801 728 HE21 GLN 88 HE21 GLN 88 -11.089 -3.397 -14.361 729 HE22 GLN 88 HE22 GLN 88 -10.169 -4.232 -15.561 730 H ASN 89 H ASN 89 -10.690 0.897 -11.795 731 HA ASN 89 HA ASN 89 -12.852 1.851 -13.554 732 HB2 ASN 89 HB2 ASN 89 -12.343 2.500 -10.637 733 HB3 ASN 89 HB3 ASN 89 -13.711 3.061 -11.587 734 HD21 ASN 89 HD21 ASN 89 -13.720 1.566 -9.145 735 HD22 ASN 89 HD22 ASN 89 -14.558 0.085 -9.471 736 H ASP 90 H ASP 90 -9.771 2.472 -12.369 737 HA ASP 90 HA ASP 90 -8.215 4.060 -12.651 738 HB2 ASP 90 HB2 ASP 90 -8.884 3.682 -15.045 739 HB3 ASP 90 HB3 ASP 90 -9.902 5.113 -14.915 740 H TYR 91 H TYR 91 -8.490 5.111 -10.730 741 HA TYR 91 HA TYR 91 -10.094 7.565 -10.768 742 HB2 TYR 91 HB2 TYR 91 -8.680 6.220 -8.453 743 HB3 TYR 91 HB3 TYR 91 -9.740 7.619 -8.343 744 HD1 TYR 91 HD1 TYR 91 -9.579 3.991 -8.792 745 HD2 TYR 91 HD2 TYR 91 -12.148 7.370 -8.521 746 HE1 TYR 91 HE1 TYR 91 -11.498 2.494 -8.439 747 HE2 TYR 91 HE2 TYR 91 -14.077 5.886 -8.172 748 HH TYR 91 HH TYR 91 -14.781 3.654 -8.468 749 H ILE 92 H ILE 92 -7.002 6.513 -11.373 750 HA ILE 92 HA ILE 92 -5.718 8.868 -10.205 751 HB ILE 92 HB ILE 92 -3.562 7.710 -10.763 752 HG12 ILE 92 HG12 ILE 92 -4.690 6.123 -12.441 753 HG13 ILE 92 HG13 ILE 92 -3.473 5.440 -11.373 754 HG21 ILE 92 HG21 ILE 92 -5.460 6.373 -8.845 755 HG22 ILE 92 HG22 ILE 92 -4.415 7.754 -8.515 756 HG23 ILE 92 HG23 ILE 92 -3.709 6.172 -8.839 757 HD11 ILE 92 HD11 ILE 92 -6.457 5.204 -11.056 758 HD12 ILE 92 HD12 ILE 92 -5.255 4.539 -9.949 759 HD13 ILE 92 HD13 ILE 92 -5.354 3.943 -11.606 760 H ASP 93 H ASP 93 -6.280 7.262 -13.282 761 HA ASP 93 HA ASP 93 -6.189 8.024 -15.420 762 HB2 ASP 93 HB2 ASP 93 -7.353 9.993 -14.271 763 HB3 ASP 93 HB3 ASP 93 -5.794 10.805 -14.302 764 H SER 94 H SER 94 -3.708 7.321 -13.953 765 HA SER 94 HA SER 94 -1.832 8.400 -15.882 766 HB2 SER 94 HB2 SER 94 -1.391 8.819 -12.918 767 HB3 SER 94 HB3 SER 94 -0.225 9.185 -14.190 768 HG SER 94 HG SER 94 -2.540 10.353 -14.812 769 H ASN 95 H ASN 95 -2.840 5.894 -13.850 770 HA ASN 95 HA ASN 95 -1.918 4.023 -12.949 771 HB2 ASN 95 HB2 ASN 95 -2.040 3.548 -15.424 772 HB3 ASN 95 HB3 ASN 95 -0.331 3.960 -15.520 773 HD21 ASN 95 HD21 ASN 95 -2.665 1.672 -14.404 774 HD22 ASN 95 HD22 ASN 95 -1.556 0.412 -14.026 775 HA PRO 96 HA PRO 96 2.034 5.950 -11.543 776 HB2 PRO 96 HB2 PRO 96 0.988 5.645 -8.850 777 HB3 PRO 96 HB3 PRO 96 1.445 7.123 -9.699 778 HG2 PRO 96 HG2 PRO 96 -1.128 6.513 -9.067 779 HG3 PRO 96 HG3 PRO 96 -0.680 7.487 -10.479 780 HD2 PRO 96 HD2 PRO 96 -1.396 4.577 -10.340 781 HD3 PRO 96 HD3 PRO 96 -1.894 5.804 -11.522 782 H ALA 97 H ALA 97 3.213 5.107 -9.345 783 HA ALA 97 HA ALA 97 4.484 3.456 -8.450 784 HB1 ALA 97 HB1 ALA 97 3.490 1.280 -8.016 785 HB2 ALA 97 HB2 ALA 97 2.160 1.655 -9.112 786 HB3 ALA 97 HB3 ALA 97 2.362 2.576 -7.622 787 H SER 98 H SER 98 3.820 3.698 -11.603 788 HA SER 98 HA SER 98 5.172 1.397 -12.634 789 HB2 SER 98 HB2 SER 98 5.200 2.883 -14.737 790 HB3 SER 98 HB3 SER 98 3.617 2.432 -14.098 791 HG SER 98 HG SER 98 3.776 4.688 -14.586 792 H ASP 99 H ASP 99 6.005 4.850 -12.817 793 HA ASP 99 HA ASP 99 8.835 4.248 -12.738 794 HB2 ASP 99 HB2 ASP 99 7.863 6.176 -14.056 795 HB3 ASP 99 HB3 ASP 99 7.513 6.965 -12.521 796 H MET 100 H MET 100 8.823 3.139 -10.754 797 HA MET 100 HA MET 100 9.176 4.812 -8.423 798 HB2 MET 100 HB2 MET 100 6.714 4.351 -8.521 799 HB3 MET 100 HB3 MET 100 7.070 2.635 -8.435 800 HG2 MET 100 HG2 MET 100 8.004 4.504 -6.296 801 HG3 MET 100 HG3 MET 100 6.355 3.889 -6.308 802 HE1 MET 100 HE1 MET 100 7.684 1.654 -3.501 803 HE2 MET 100 HE2 MET 100 6.337 2.620 -4.101 804 HE3 MET 100 HE3 MET 100 7.887 3.386 -3.760 805 H ALA 101 H ALA 101 8.668 1.458 -9.473 806 HA ALA 101 HA ALA 101 11.269 0.766 -8.299 807 HB1 ALA 101 HB1 ALA 101 9.445 -0.320 -7.078 808 HB2 ALA 101 HB2 ALA 101 10.419 -1.503 -7.952 809 HB3 ALA 101 HB3 ALA 101 8.847 -1.014 -8.584 810 H GLY 102 H GLY 102 12.433 -0.904 -9.511 811 HA2 GLY 102 HA2 GLY 102 11.603 -1.660 -12.124 812 HA3 GLY 102 HA3 GLY 102 12.690 -0.283 -12.194 813 H ALA 103 H ALA 103 14.486 -1.165 -13.030 814 HA ALA 103 HA ALA 103 15.482 -3.697 -11.985 815 HB1 ALA 103 HB1 ALA 103 16.431 -2.063 -14.335 816 HB2 ALA 103 HB2 ALA 103 15.325 -3.435 -14.414 817 HB3 ALA 103 HB3 ALA 103 16.993 -3.675 -13.893 818 H LEU 104 H LEU 104 16.418 -3.220 -10.066 819 HA LEU 104 HA LEU 104 18.085 -0.945 -9.646 820 HB2 LEU 104 HB2 LEU 104 17.586 -3.429 -8.025 821 HB3 LEU 104 HB3 LEU 104 18.727 -2.202 -7.519 822 HG LEU 104 HG LEU 104 16.795 -0.551 -7.596 823 HD11 LEU 104 HD11 LEU 104 15.174 -3.089 -7.710 824 HD12 LEU 104 HD12 LEU 104 15.273 -1.865 -8.975 825 HD13 LEU 104 HD13 LEU 104 14.543 -1.467 -7.420 826 HD21 LEU 104 HD21 LEU 104 15.967 -1.235 -5.403 827 HD22 LEU 104 HD22 LEU 104 17.715 -1.433 -5.521 828 HD23 LEU 104 HD23 LEU 104 16.658 -2.840 -5.638 829 H SER 105 H SER 105 18.945 -4.408 -9.438 830 HA SER 105 HA SER 105 21.535 -3.790 -10.651 831 HB2 SER 105 HB2 SER 105 21.749 -3.559 -8.171 832 HB3 SER 105 HB3 SER 105 21.246 -5.238 -8.002 833 HG SER 105 HG SER 105 23.097 -5.812 -9.257 834 H THR 106 H THR 106 19.433 -5.137 -11.837 835 HA THR 106 HA THR 106 19.777 -7.988 -11.476 836 HB THR 106 HB THR 106 18.163 -8.029 -13.501 837 HG1 THR 106 HG1 THR 106 17.081 -6.088 -13.891 838 HG21 THR 106 HG21 THR 106 17.474 -8.508 -11.199 839 HG22 THR 106 HG22 THR 106 16.234 -7.590 -12.050 840 HG23 THR 106 HG23 THR 106 17.287 -6.782 -10.889 841 H THR 107 H THR 107 21.894 -8.403 -12.091 842 HA THR 107 HA THR 107 22.315 -8.553 -14.966 843 HB THR 107 HB THR 107 24.525 -7.430 -13.261 844 HG1 THR 107 HG1 THR 107 22.332 -6.101 -14.411 845 HG21 THR 107 HG21 THR 107 25.151 -8.389 -15.418 846 HG22 THR 107 HG22 THR 107 25.386 -6.642 -15.415 847 HG23 THR 107 HG23 THR 107 23.987 -7.340 -16.231 848 H LYS 108 H LYS 108 24.006 -10.072 -15.522 849 HA LYS 108 HA LYS 108 25.200 -11.638 -13.429 850 HB2 LYS 108 HB2 LYS 108 24.315 -13.753 -14.096 851 HB3 LYS 108 HB3 LYS 108 22.971 -12.676 -13.740 852 HG2 LYS 108 HG2 LYS 108 22.440 -12.397 -15.983 853 HG3 LYS 108 HG3 LYS 108 24.005 -13.012 -16.517 854 HD2 LYS 108 HD2 LYS 108 23.164 -15.175 -15.242 855 HD3 LYS 108 HD3 LYS 108 21.586 -14.474 -15.637 856 HE2 LYS 108 HE2 LYS 108 22.493 -14.159 -17.963 857 HE3 LYS 108 HE3 LYS 108 23.819 -15.208 -17.491 858 HZ1 LYS 108 HZ1 LYS 108 22.289 -16.988 -17.055 859 HZ2 LYS 108 HZ2 LYS 108 22.026 -16.415 -18.630 860 HZ3 LYS 108 HZ3 LYS 108 20.954 -15.995 -17.384 861 H ALA 109 H ALA 109 26.467 -13.511 -14.506 862 HA ALA 109 HA ALA 109 27.361 -13.055 -17.209 863 HB1 ALA 109 HB1 ALA 109 29.261 -12.502 -14.928 864 HB2 ALA 109 HB2 ALA 109 28.609 -11.305 -16.049 865 HB3 ALA 109 HB3 ALA 109 29.692 -12.565 -16.638 866 H ARG 110 H ARG 110 26.244 -15.175 -15.544 867 HA ARG 110 HA ARG 110 27.989 -17.086 -14.615 868 HB2 ARG 110 HB2 ARG 110 25.216 -16.963 -15.420 869 HB3 ARG 110 HB3 ARG 110 25.923 -18.510 -15.864 870 HG2 ARG 110 HG2 ARG 110 25.986 -17.310 -13.102 871 HG3 ARG 110 HG3 ARG 110 24.861 -18.553 -13.652 872 HD2 ARG 110 HD2 ARG 110 26.788 -20.016 -14.157 873 HD3 ARG 110 HD3 ARG 110 27.863 -18.784 -13.501 874 HE ARG 110 HE ARG 110 25.765 -19.756 -11.731 875 HH11 ARG 110 HH11 ARG 110 29.133 -19.803 -12.678 876 HH12 ARG 110 HH12 ARG 110 29.663 -20.659 -11.260 877 HH21 ARG 110 HH21 ARG 110 26.443 -20.896 -9.858 878 HH22 ARG 110 HH22 ARG 110 28.130 -21.267 -9.645 879 H HIS 111 H HIS 111 29.510 -18.284 -15.504 880 HA HIS 111 HA HIS 111 29.185 -19.262 -18.228 881 HB2 HIS 111 HB2 HIS 111 30.394 -17.121 -18.491 882 HB3 HIS 111 HB3 HIS 111 31.636 -17.695 -17.385 883 HD1 HIS 111 HD1 HIS 111 33.618 -18.696 -18.491 884 HD2 HIS 111 HD2 HIS 111 30.218 -18.912 -20.882 885 HE1 HIS 111 HE1 HIS 111 34.377 -19.713 -20.661 886 HE2 HIS 111 HE2 HIS 111 32.264 -20.030 -22.010 887 H TYR 112 H TYR 112 29.057 -21.329 -17.450 888 HA TYR 112 HA TYR 112 31.601 -22.603 -17.065 889 HB2 TYR 112 HB2 TYR 112 30.949 -21.937 -14.712 890 HB3 TYR 112 HB3 TYR 112 29.543 -22.982 -14.876 891 HD1 TYR 112 HD2 TYR 112 29.823 -25.432 -14.993 892 HD2 TYR 112 HD1 TYR 112 33.146 -22.852 -14.360 893 HE1 TYR 112 HE2 TYR 112 31.164 -27.353 -14.243 894 HE2 TYR 112 HE1 TYR 112 34.495 -24.764 -13.609 895 HH TYR 112 HH TYR 112 33.970 -27.108 -12.563 896 HA PRO 113 HA PRO 113 28.781 -25.260 -19.409 897 HB2 PRO 113 HB2 PRO 113 31.180 -26.347 -20.616 898 HB3 PRO 113 HB3 PRO 113 29.906 -25.387 -21.367 899 HG2 PRO 113 HG2 PRO 113 32.438 -24.462 -20.979 900 HG3 PRO 113 HG3 PRO 113 31.011 -23.410 -21.022 901 HD2 PRO 113 HD2 PRO 113 32.517 -24.469 -18.652 902 HD3 PRO 113 HD3 PRO 113 31.857 -22.840 -18.933 903 H LEU 114 H LEU 114 31.888 -26.912 -19.131 904 HA LEU 114 HA LEU 114 30.802 -28.724 -17.101 905 HB2 LEU 114 HB2 LEU 114 30.285 -29.689 -19.333 906 HB3 LEU 114 HB3 LEU 114 31.996 -29.666 -19.714 907 HG LEU 114 HG LEU 114 32.392 -31.246 -17.830 908 HD11 LEU 114 HD11 LEU 114 30.462 -30.711 -16.465 909 HD12 LEU 114 HD12 LEU 114 30.452 -32.424 -16.881 910 HD13 LEU 114 HD13 LEU 114 29.377 -31.306 -17.721 911 HD21 LEU 114 HD21 LEU 114 32.154 -32.032 -20.138 912 HD22 LEU 114 HD22 LEU 114 30.412 -32.181 -19.909 913 HD23 LEU 114 HD23 LEU 114 31.514 -33.203 -18.986 914 H GLU 115 H GLU 115 33.499 -27.748 -19.119 915 HA GLU 115 HA GLU 115 35.666 -27.324 -18.712 916 HB2 GLU 115 HB2 GLU 115 34.906 -26.247 -16.631 917 HB3 GLU 115 HB3 GLU 115 35.039 -27.792 -15.799 918 HG2 GLU 115 HG2 GLU 115 36.964 -26.409 -15.339 919 HG3 GLU 115 HG3 GLU 115 37.434 -27.837 -16.259 920 H HIS 116 H HIS 116 34.956 -29.832 -16.267 921 HA HIS 116 HA HIS 116 37.375 -31.209 -16.847 922 HB2 HIS 116 HB2 HIS 116 36.387 -31.354 -14.629 923 HB3 HIS 116 HB3 HIS 116 34.939 -32.104 -15.290 924 HD1 HIS 116 HD1 HIS 116 34.930 -34.597 -15.475 925 HD2 HIS 116 HD2 HIS 116 38.741 -33.054 -14.831 926 HE1 HIS 116 HE1 HIS 116 36.419 -36.591 -15.122 927 HE2 HIS 116 HE2 HIS 116 38.723 -35.640 -14.704 928 H HIS 117 H HIS 117 37.742 -32.265 -18.622 929 HA HIS 117 HA HIS 117 35.625 -33.975 -19.744 930 HB2 HIS 117 HB2 HIS 117 35.845 -32.111 -21.247 931 HB3 HIS 117 HB3 HIS 117 37.600 -32.213 -21.210 932 HD1 HIS 117 HD1 HIS 117 38.673 -33.540 -23.011 933 HD2 HIS 117 HD2 HIS 117 34.623 -34.400 -22.646 934 HE1 HIS 117 HE1 HIS 117 38.131 -35.075 -24.932 935 HE2 HIS 117 HE2 HIS 117 35.733 -35.747 -24.565 936 H HIS 118 H HIS 118 36.234 -35.959 -19.225 937 HA HIS 118 HA HIS 118 38.930 -36.835 -19.953 938 HB2 HIS 118 HB2 HIS 118 38.909 -36.237 -17.509 939 HB3 HIS 118 HB3 HIS 118 37.689 -37.482 -17.268 940 HD1 HIS 118 HD1 HIS 118 41.216 -37.251 -18.696 941 HD2 HIS 118 HD2 HIS 118 38.761 -39.877 -16.601 942 HE1 HIS 118 HE1 HIS 118 42.660 -39.234 -18.128 943 HE2 HIS 118 HE2 HIS 118 41.203 -40.725 -16.715 944 H HIS 119 H HIS 119 38.956 -38.854 -20.827 945 HA HIS 119 HA HIS 119 36.332 -40.189 -20.956 946 HB2 HIS 119 HB2 HIS 119 37.008 -39.349 -23.113 947 HB3 HIS 119 HB3 HIS 119 38.591 -40.101 -22.963 948 HD1 HIS 119 HD1 HIS 119 34.936 -41.179 -23.162 949 HD2 HIS 119 HD2 HIS 119 38.747 -42.527 -24.152 950 HE1 HIS 119 HE1 HIS 119 34.594 -43.334 -24.415 951 HE2 HIS 119 HE2 HIS 119 36.901 -44.042 -25.142 952 H HIS 120 H HIS 120 36.188 -42.003 -19.875 953 HA HIS 120 HA HIS 120 38.580 -43.685 -19.563 954 HB2 HIS 120 HB2 HIS 120 37.401 -44.836 -17.770 955 HB3 HIS 120 HB3 HIS 120 37.376 -43.105 -17.468 956 HD1 HIS 120 HD1 HIS 120 35.102 -45.941 -18.556 957 HD2 HIS 120 HD2 HIS 120 34.858 -41.985 -17.264 958 HE1 HIS 120 HE1 HIS 120 32.664 -45.512 -18.121 959 HE2 HIS 120 HE2 HIS 120 32.550 -43.158 -17.236 960 H HIS 121 H HIS 121 38.090 -46.102 -19.670 961 HA HIS 121 HA HIS 121 36.819 -46.714 -22.144 962 HB2 HIS 121 HB2 HIS 121 38.724 -48.042 -21.352 963 HB3 HIS 121 HB3 HIS 121 37.792 -48.568 -19.954 964 HD1 HIS 121 HD1 HIS 121 37.269 -50.963 -20.309 965 HD2 HIS 121 HD2 HIS 121 36.837 -48.751 -23.804 966 HE1 HIS 121 HE1 HIS 121 36.374 -52.570 -22.024 967 HE2 HIS 121 HE2 HIS 121 35.892 -51.146 -24.043 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -33.796 -0.118 -4.216 2 H2 MET 1 H2 MET 1 -32.484 0.651 -4.969 3 H3 MET 1 H3 MET 1 -33.186 1.333 -3.587 4 HA MET 1 HA MET 1 -32.474 -0.517 -2.248 5 HB2 MET 1 HB2 MET 1 -31.137 -1.446 -4.800 6 HB3 MET 1 HB3 MET 1 -30.889 -2.150 -3.208 7 HG2 MET 1 HG2 MET 1 -33.245 -2.795 -3.129 8 HG3 MET 1 HG3 MET 1 -33.484 -2.097 -4.732 9 HE1 MET 1 HE1 MET 1 -31.060 -4.396 -6.865 10 HE2 MET 1 HE2 MET 1 -30.607 -2.919 -6.013 11 HE3 MET 1 HE3 MET 1 -32.124 -2.990 -6.909 12 H GLU 2 H GLU 2 -29.870 -1.030 -1.995 13 HA GLU 2 HA GLU 2 -28.775 1.657 -1.812 14 HB2 GLU 2 HB2 GLU 2 -27.021 0.618 -0.419 15 HB3 GLU 2 HB3 GLU 2 -28.637 0.293 0.183 16 HG2 GLU 2 HG2 GLU 2 -27.176 -1.673 -1.545 17 HG3 GLU 2 HG3 GLU 2 -26.941 -1.607 0.201 18 H ASN 3 H ASN 3 -26.784 2.275 -2.607 19 HA ASN 3 HA ASN 3 -25.396 0.446 -4.425 20 HB2 ASN 3 HB2 ASN 3 -26.787 1.775 -5.907 21 HB3 ASN 3 HB3 ASN 3 -26.261 3.266 -5.127 22 HD21 ASN 3 HD21 ASN 3 -25.342 0.661 -7.267 23 HD22 ASN 3 HD22 ASN 3 -23.943 1.445 -7.930 24 H SER 4 H SER 4 -23.615 0.216 -3.181 25 HA SER 4 HA SER 4 -22.386 2.597 -2.018 26 HB2 SER 4 HB2 SER 4 -22.695 0.632 -0.570 27 HB3 SER 4 HB3 SER 4 -21.713 -0.337 -1.668 28 HG SER 4 HG SER 4 -20.780 2.007 -0.357 29 H GLY 5 H GLY 5 -21.291 3.661 -3.581 30 HA2 GLY 5 HA2 GLY 5 -19.607 2.320 -5.486 31 HA3 GLY 5 HA3 GLY 5 -19.682 4.056 -5.193 32 H ALA 6 H ALA 6 -18.823 4.709 -3.000 33 HA ALA 6 HA ALA 6 -17.011 5.010 -1.662 34 HB1 ALA 6 HB1 ALA 6 -16.452 3.105 -0.261 35 HB2 ALA 6 HB2 ALA 6 -17.264 2.022 -1.391 36 HB3 ALA 6 HB3 ALA 6 -18.196 3.224 -0.497 37 H TYR 7 H TYR 7 -15.974 5.346 -3.987 38 HA TYR 7 HA TYR 7 -13.936 3.476 -4.659 39 HB2 TYR 7 HB2 TYR 7 -13.161 5.146 -6.270 40 HB3 TYR 7 HB3 TYR 7 -14.899 4.929 -6.386 41 HD1 TYR 7 HD1 TYR 7 -16.370 6.709 -5.179 42 HD2 TYR 7 HD2 TYR 7 -12.247 7.246 -6.071 43 HE1 TYR 7 HE1 TYR 7 -16.648 9.148 -4.991 44 HE2 TYR 7 HE2 TYR 7 -12.514 9.673 -5.884 45 HH TYR 7 HH TYR 7 -15.319 11.122 -4.573 46 H THR 8 H THR 8 -12.580 3.083 -3.086 47 HA THR 8 HA THR 8 -10.953 5.275 -2.022 48 HB THR 8 HB THR 8 -12.132 3.101 -0.276 49 HG1 THR 8 HG1 THR 8 -13.080 5.660 -0.967 50 HG21 THR 8 HG21 THR 8 -10.055 4.033 0.582 51 HG22 THR 8 HG22 THR 8 -11.412 4.571 1.571 52 HG23 THR 8 HG23 THR 8 -10.687 5.669 0.396 53 H PHE 9 H PHE 9 -8.873 4.636 -1.353 54 HA PHE 9 HA PHE 9 -7.610 2.598 -2.764 55 HB2 PHE 9 HB2 PHE 9 -6.522 4.565 -1.595 56 HB3 PHE 9 HB3 PHE 9 -6.697 3.678 -0.085 57 HD1 PHE 9 HD1 PHE 9 -5.335 1.716 0.370 58 HD2 PHE 9 HD2 PHE 9 -4.906 3.914 -3.248 59 HE1 PHE 9 HE1 PHE 9 -3.186 0.597 -0.053 60 HE2 PHE 9 HE2 PHE 9 -2.758 2.801 -3.674 61 HZ PHE 9 HZ PHE 9 -1.896 1.138 -2.074 62 H GLU 10 H GLU 10 -8.905 2.588 0.525 63 HA GLU 10 HA GLU 10 -8.071 0.017 1.275 64 HB2 GLU 10 HB2 GLU 10 -10.460 1.635 2.167 65 HB3 GLU 10 HB3 GLU 10 -9.940 0.145 2.937 66 HG2 GLU 10 HG2 GLU 10 -7.793 1.177 3.487 67 HG3 GLU 10 HG3 GLU 10 -8.329 2.676 2.730 68 H THR 11 H THR 11 -10.955 1.124 -0.438 69 HA THR 11 HA THR 11 -12.417 -1.275 -0.349 70 HB THR 11 HB THR 11 -12.524 0.697 -2.631 71 HG1 THR 11 HG1 THR 11 -14.050 1.846 -1.282 72 HG21 THR 11 HG21 THR 11 -14.620 -1.025 -1.298 73 HG22 THR 11 HG22 THR 11 -13.889 -1.308 -2.878 74 HG23 THR 11 HG23 THR 11 -14.915 0.103 -2.621 75 H ILE 12 H ILE 12 -10.126 0.014 -2.715 76 HA ILE 12 HA ILE 12 -10.273 -2.097 -4.577 77 HB ILE 12 HB ILE 12 -7.979 -0.224 -3.967 78 HG12 ILE 12 HG12 ILE 12 -10.140 -0.074 -6.082 79 HG13 ILE 12 HG13 ILE 12 -10.093 0.893 -4.612 80 HG21 ILE 12 HG21 ILE 12 -8.466 -1.943 -6.395 81 HG22 ILE 12 HG22 ILE 12 -7.210 -2.189 -5.182 82 HG23 ILE 12 HG23 ILE 12 -7.170 -0.759 -6.214 83 HD11 ILE 12 HD11 ILE 12 -8.067 0.965 -6.834 84 HD12 ILE 12 HD12 ILE 12 -8.023 1.935 -5.363 85 HD13 ILE 12 HD13 ILE 12 -9.325 2.164 -6.528 86 H ALA 13 H ALA 13 -8.143 -1.509 -1.813 87 HA ALA 13 HA ALA 13 -6.561 -3.825 -2.102 88 HB1 ALA 13 HB1 ALA 13 -7.200 -2.308 0.424 89 HB2 ALA 13 HB2 ALA 13 -5.912 -1.909 -0.714 90 HB3 ALA 13 HB3 ALA 13 -5.858 -3.426 0.184 91 H ARG 14 H ARG 14 -9.641 -3.221 -0.577 92 HA ARG 14 HA ARG 14 -9.874 -5.510 1.015 93 HB2 ARG 14 HB2 ARG 14 -11.391 -3.295 0.532 94 HB3 ARG 14 HB3 ARG 14 -12.339 -4.527 -0.283 95 HG2 ARG 14 HG2 ARG 14 -11.449 -4.742 2.582 96 HG3 ARG 14 HG3 ARG 14 -12.992 -4.052 2.080 97 HD2 ARG 14 HD2 ARG 14 -13.588 -6.176 1.013 98 HD3 ARG 14 HD3 ARG 14 -12.048 -6.865 1.528 99 HE ARG 14 HE ARG 14 -13.506 -5.825 3.747 100 HH11 ARG 14 HH11 ARG 14 -13.434 -8.539 1.528 101 HH12 ARG 14 HH12 ARG 14 -14.133 -9.645 2.665 102 HH21 ARG 14 HH21 ARG 14 -14.442 -7.269 5.228 103 HH22 ARG 14 HH22 ARG 14 -14.712 -8.929 4.771 104 H GLU 15 H GLU 15 -10.427 -4.994 -2.407 105 HA GLU 15 HA GLU 15 -11.967 -7.240 -3.010 106 HB2 GLU 15 HB2 GLU 15 -11.645 -5.430 -4.592 107 HB3 GLU 15 HB3 GLU 15 -9.925 -5.773 -4.692 108 HG2 GLU 15 HG2 GLU 15 -10.915 -6.641 -6.650 109 HG3 GLU 15 HG3 GLU 15 -10.524 -8.021 -5.627 110 H TRP 16 H TRP 16 -8.413 -6.900 -3.392 111 HA TRP 16 HA TRP 16 -8.195 -9.723 -3.905 112 HB2 TRP 16 HB2 TRP 16 -5.718 -9.258 -3.986 113 HB3 TRP 16 HB3 TRP 16 -6.693 -8.364 -5.147 114 HD1 TRP 16 HD1 TRP 16 -6.561 -5.760 -5.071 115 HE1 TRP 16 HE1 TRP 16 -5.245 -4.080 -3.634 116 HE3 TRP 16 HE3 TRP 16 -4.762 -8.959 -1.502 117 HZ2 TRP 16 HZ2 TRP 16 -3.665 -4.106 -1.295 118 HZ3 TRP 16 HZ3 TRP 16 -3.361 -8.049 0.297 119 HH2 TRP 16 HH2 TRP 16 -2.830 -5.673 0.395 120 H HIS 17 H HIS 17 -7.853 -7.629 -1.161 121 HA HIS 17 HA HIS 17 -6.430 -9.281 0.573 122 HB2 HIS 17 HB2 HIS 17 -6.964 -6.981 1.140 123 HB3 HIS 17 HB3 HIS 17 -8.683 -7.352 1.168 124 HD1 HIS 17 HD1 HIS 17 -5.530 -7.772 3.169 125 HD2 HIS 17 HD2 HIS 17 -9.610 -8.528 3.518 126 HE1 HIS 17 HE1 HIS 17 -5.914 -8.340 5.588 127 HE2 HIS 17 HE2 HIS 17 -8.362 -8.933 5.742 128 H GLU 18 H GLU 18 -9.751 -9.493 -0.525 129 HA GLU 18 HA GLU 18 -10.677 -11.171 1.582 130 HB2 GLU 18 HB2 GLU 18 -12.138 -9.773 0.085 131 HB3 GLU 18 HB3 GLU 18 -11.834 -10.933 -1.201 132 HG2 GLU 18 HG2 GLU 18 -12.876 -12.690 0.079 133 HG3 GLU 18 HG3 GLU 18 -13.100 -11.601 1.446 134 H SER 19 H SER 19 -8.857 -11.758 -1.289 135 HA SER 19 HA SER 19 -9.475 -14.453 -1.752 136 HB2 SER 19 HB2 SER 19 -6.793 -13.107 -2.145 137 HB3 SER 19 HB3 SER 19 -7.380 -14.553 -2.968 138 HG SER 19 HG SER 19 -7.564 -12.381 -4.059 139 H ASN 20 H ASN 20 -7.289 -12.902 0.514 140 HA ASN 20 HA ASN 20 -6.298 -13.603 2.419 141 HB2 ASN 20 HB2 ASN 20 -8.657 -15.370 2.138 142 HB3 ASN 20 HB3 ASN 20 -7.446 -15.849 3.322 143 HD21 ASN 20 HD21 ASN 20 -10.229 -14.785 3.491 144 HD22 ASN 20 HD22 ASN 20 -10.126 -13.476 4.626 145 H LYS 21 H LYS 21 -5.881 -16.178 3.460 146 HA LYS 21 HA LYS 21 -4.236 -17.574 1.494 147 HB2 LYS 21 HB2 LYS 21 -3.068 -15.666 3.093 148 HB3 LYS 21 HB3 LYS 21 -2.863 -17.121 4.060 149 HG2 LYS 21 HG2 LYS 21 -0.921 -16.868 2.732 150 HG3 LYS 21 HG3 LYS 21 -1.853 -18.204 2.039 151 HD2 LYS 21 HD2 LYS 21 -2.759 -16.751 0.358 152 HD3 LYS 21 HD3 LYS 21 -1.972 -15.358 1.092 153 HE2 LYS 21 HE2 LYS 21 -0.667 -15.993 -0.799 154 HE3 LYS 21 HE3 LYS 21 0.228 -16.473 0.641 155 HZ1 LYS 21 HZ1 LYS 21 -1.452 -18.274 -1.018 156 HZ2 LYS 21 HZ2 LYS 21 -0.545 -18.733 0.340 157 HZ3 LYS 21 HZ3 LYS 21 0.244 -18.193 -1.061 158 H ARG 22 H ARG 22 -3.865 -17.645 4.912 159 HA ARG 22 HA ARG 22 -5.208 -20.253 5.090 160 HB2 ARG 22 HB2 ARG 22 -2.712 -19.672 5.876 161 HB3 ARG 22 HB3 ARG 22 -3.565 -19.179 7.333 162 HG2 ARG 22 HG2 ARG 22 -4.598 -21.435 7.421 163 HG3 ARG 22 HG3 ARG 22 -3.592 -21.900 6.049 164 HD2 ARG 22 HD2 ARG 22 -1.595 -21.225 7.433 165 HD3 ARG 22 HD3 ARG 22 -2.694 -21.082 8.803 166 HE ARG 22 HE ARG 22 -2.118 -23.589 7.348 167 HH11 ARG 22 HH11 ARG 22 -3.224 -21.893 10.211 168 HH12 ARG 22 HH12 ARG 22 -3.224 -23.321 11.206 169 HH21 ARG 22 HH21 ARG 22 -2.115 -25.452 8.647 170 HH22 ARG 22 HH22 ARG 22 -2.555 -25.342 10.330 171 H TRP 23 H TRP 23 -6.045 -20.475 7.544 172 HA TRP 23 HA TRP 23 -8.230 -18.635 7.676 173 HB2 TRP 23 HB2 TRP 23 -7.509 -20.731 9.727 174 HB3 TRP 23 HB3 TRP 23 -9.094 -20.030 9.412 175 HD1 TRP 23 HD1 TRP 23 -10.327 -20.804 7.104 176 HE1 TRP 23 HE1 TRP 23 -10.096 -22.973 5.727 177 HE3 TRP 23 HE3 TRP 23 -5.921 -22.519 9.047 178 HZ2 TRP 23 HZ2 TRP 23 -8.276 -25.119 5.512 179 HZ3 TRP 23 HZ3 TRP 23 -5.002 -24.637 8.199 180 HH2 TRP 23 HH2 TRP 23 -6.156 -25.906 6.470 181 H SER 24 H SER 24 -7.853 -16.646 8.365 182 HA SER 24 HA SER 24 -7.167 -16.258 11.148 183 HB2 SER 24 HB2 SER 24 -5.497 -14.977 8.956 184 HB3 SER 24 HB3 SER 24 -5.426 -14.534 10.661 185 HG SER 24 HG SER 24 -5.144 -17.205 10.346 186 H GLU 25 H GLU 25 -9.504 -16.005 9.645 187 HA GLU 25 HA GLU 25 -9.978 -13.658 8.276 188 HB2 GLU 25 HB2 GLU 25 -11.410 -15.839 8.687 189 HB3 GLU 25 HB3 GLU 25 -12.172 -14.832 9.911 190 HG2 GLU 25 HG2 GLU 25 -13.440 -14.671 7.898 191 HG3 GLU 25 HG3 GLU 25 -12.616 -13.133 8.165 192 H ASP 26 H ASP 26 -10.587 -14.310 11.710 193 HA ASP 26 HA ASP 26 -11.797 -11.768 12.193 194 HB2 ASP 26 HB2 ASP 26 -10.589 -13.671 14.214 195 HB3 ASP 26 HB3 ASP 26 -11.750 -12.389 14.540 196 H HIS 27 H HIS 27 -8.594 -13.037 12.305 197 HA HIS 27 HA HIS 27 -7.440 -10.938 13.870 198 HB2 HIS 27 HB2 HIS 27 -6.589 -13.338 13.616 199 HB3 HIS 27 HB3 HIS 27 -5.942 -12.824 12.063 200 HD1 HIS 27 HD1 HIS 27 -5.444 -12.463 15.746 201 HD2 HIS 27 HD2 HIS 27 -3.692 -11.158 12.205 202 HE1 HIS 27 HE1 HIS 27 -3.226 -11.478 16.406 203 HE2 HIS 27 HE2 HIS 27 -2.104 -10.871 14.232 204 H ARG 28 H ARG 28 -8.174 -11.398 10.552 205 HA ARG 28 HA ARG 28 -6.280 -9.963 9.181 206 HB2 ARG 28 HB2 ARG 28 -9.017 -10.804 8.733 207 HB3 ARG 28 HB3 ARG 28 -8.673 -9.275 7.937 208 HG2 ARG 28 HG2 ARG 28 -8.288 -11.229 6.493 209 HG3 ARG 28 HG3 ARG 28 -6.837 -10.256 6.737 210 HD2 ARG 28 HD2 ARG 28 -6.042 -11.845 8.405 211 HD3 ARG 28 HD3 ARG 28 -7.510 -12.803 8.203 212 HE ARG 28 HE ARG 28 -6.749 -13.082 5.819 213 HH11 ARG 28 HH11 ARG 28 -4.480 -12.570 8.453 214 HH12 ARG 28 HH12 ARG 28 -3.165 -13.339 7.631 215 HH21 ARG 28 HH21 ARG 28 -4.998 -14.075 4.741 216 HH22 ARG 28 HH22 ARG 28 -3.442 -14.172 5.511 217 H SER 29 H SER 29 -8.916 -8.650 11.122 218 HA SER 29 HA SER 29 -8.829 -6.004 10.195 219 HB2 SER 29 HB2 SER 29 -10.631 -6.930 11.629 220 HB3 SER 29 HB3 SER 29 -9.505 -6.971 12.985 221 HG SER 29 HG SER 29 -10.593 -5.088 13.194 222 H ARG 30 H ARG 30 -7.089 -7.597 12.844 223 HA ARG 30 HA ARG 30 -5.601 -5.386 13.725 224 HB2 ARG 30 HB2 ARG 30 -5.815 -7.666 14.834 225 HB3 ARG 30 HB3 ARG 30 -4.620 -8.244 13.682 226 HG2 ARG 30 HG2 ARG 30 -3.068 -6.484 14.541 227 HG3 ARG 30 HG3 ARG 30 -4.256 -6.147 15.803 228 HD2 ARG 30 HD2 ARG 30 -4.119 -8.704 16.235 229 HD3 ARG 30 HD3 ARG 30 -2.590 -8.591 15.365 230 HE ARG 30 HE ARG 30 -3.126 -6.908 17.718 231 HH11 ARG 30 HH11 ARG 30 -1.085 -9.182 15.994 232 HH12 ARG 30 HH12 ARG 30 0.117 -9.235 17.252 233 HH21 ARG 30 HH21 ARG 30 -1.559 -6.975 19.353 234 HH22 ARG 30 HH22 ARG 30 -0.156 -7.992 19.165 235 H VAL 31 H VAL 31 -5.055 -7.730 11.168 236 HA VAL 31 HA VAL 31 -2.430 -6.956 10.477 237 HB VAL 31 HB VAL 31 -4.532 -8.157 8.664 238 HG11 VAL 31 HG11 VAL 31 -2.616 -7.263 7.450 239 HG12 VAL 31 HG12 VAL 31 -2.625 -9.027 7.396 240 HG13 VAL 31 HG13 VAL 31 -1.522 -8.183 8.483 241 HG21 VAL 31 HG21 VAL 31 -3.586 -10.323 9.274 242 HG22 VAL 31 HG22 VAL 31 -4.242 -9.494 10.686 243 HG23 VAL 31 HG23 VAL 31 -2.499 -9.532 10.415 244 H LEU 32 H LEU 32 -5.613 -5.884 9.404 245 HA LEU 32 HA LEU 32 -4.765 -4.146 7.355 246 HB2 LEU 32 HB2 LEU 32 -7.114 -4.975 7.845 247 HB3 LEU 32 HB3 LEU 32 -7.185 -3.781 9.122 248 HG LEU 32 HG LEU 32 -6.628 -2.954 6.284 249 HD11 LEU 32 HD11 LEU 32 -8.667 -4.282 6.218 250 HD12 LEU 32 HD12 LEU 32 -9.035 -2.569 6.014 251 HD13 LEU 32 HD13 LEU 32 -9.329 -3.357 7.566 252 HD21 LEU 32 HD21 LEU 32 -7.883 -1.556 8.646 253 HD22 LEU 32 HD22 LEU 32 -7.652 -0.859 7.043 254 HD23 LEU 32 HD23 LEU 32 -6.254 -1.290 8.026 255 H ARG 33 H ARG 33 -5.265 -3.685 10.816 256 HA ARG 33 HA ARG 33 -4.656 -0.923 10.881 257 HB2 ARG 33 HB2 ARG 33 -4.422 -3.045 13.017 258 HB3 ARG 33 HB3 ARG 33 -4.259 -1.317 13.311 259 HG2 ARG 33 HG2 ARG 33 -6.524 -0.926 12.681 260 HG3 ARG 33 HG3 ARG 33 -6.711 -2.589 12.125 261 HD2 ARG 33 HD2 ARG 33 -6.394 -3.393 14.406 262 HD3 ARG 33 HD3 ARG 33 -6.184 -1.732 14.965 263 HE ARG 33 HE ARG 33 -8.523 -1.360 14.149 264 HH11 ARG 33 HH11 ARG 33 -7.427 -4.533 15.163 265 HH12 ARG 33 HH12 ARG 33 -9.029 -5.125 15.464 266 HH21 ARG 33 HH21 ARG 33 -10.621 -2.131 14.563 267 HH22 ARG 33 HH22 ARG 33 -10.852 -3.766 15.104 268 H TYR 34 H TYR 34 -2.669 -3.816 11.390 269 HA TYR 34 HA TYR 34 -0.215 -2.548 11.849 270 HB2 TYR 34 HB2 TYR 34 -0.450 -4.912 12.237 271 HB3 TYR 34 HB3 TYR 34 -0.866 -5.202 10.554 272 HD1 TYR 34 HD1 TYR 34 1.894 -4.305 12.845 273 HD2 TYR 34 HD2 TYR 34 0.825 -5.497 8.905 274 HE1 TYR 34 HE1 TYR 34 4.258 -4.764 12.345 275 HE2 TYR 34 HE2 TYR 34 3.186 -5.954 8.392 276 HH TYR 34 HH TYR 34 5.594 -6.102 10.805 277 H LEU 35 H LEU 35 -1.817 -3.453 8.841 278 HA LEU 35 HA LEU 35 0.225 -2.755 7.049 279 HB2 LEU 35 HB2 LEU 35 -2.088 -3.979 6.745 280 HB3 LEU 35 HB3 LEU 35 -2.672 -2.369 6.383 281 HG LEU 35 HG LEU 35 -0.361 -3.600 4.892 282 HD11 LEU 35 HD11 LEU 35 -1.978 -4.226 3.157 283 HD12 LEU 35 HD12 LEU 35 -3.299 -3.730 4.216 284 HD13 LEU 35 HD13 LEU 35 -2.270 -5.090 4.666 285 HD21 LEU 35 HD21 LEU 35 -2.297 -1.398 4.189 286 HD22 LEU 35 HD22 LEU 35 -0.977 -1.984 3.175 287 HD23 LEU 35 HD23 LEU 35 -0.626 -1.174 4.703 288 H GLU 36 H GLU 36 -2.427 -0.885 8.441 289 HA GLU 36 HA GLU 36 -1.869 1.544 7.119 290 HB2 GLU 36 HB2 GLU 36 -4.012 0.995 8.236 291 HB3 GLU 36 HB3 GLU 36 -3.208 1.073 9.794 292 HG2 GLU 36 HG2 GLU 36 -3.064 3.463 8.042 293 HG3 GLU 36 HG3 GLU 36 -4.606 3.090 8.807 294 H LEU 37 H LEU 37 -0.687 0.107 10.110 295 HA LEU 37 HA LEU 37 0.616 2.448 11.066 296 HB2 LEU 37 HB2 LEU 37 0.950 -0.457 11.775 297 HB3 LEU 37 HB3 LEU 37 1.792 0.842 12.597 298 HG LEU 37 HG LEU 37 -1.209 0.520 12.491 299 HD11 LEU 37 HD11 LEU 37 -1.015 -0.096 14.844 300 HD12 LEU 37 HD12 LEU 37 0.743 -0.008 14.729 301 HD13 LEU 37 HD13 LEU 37 -0.141 -1.232 13.815 302 HD21 LEU 37 HD21 LEU 37 -1.229 2.278 14.183 303 HD22 LEU 37 HD22 LEU 37 -0.490 2.853 12.688 304 HD23 LEU 37 HD23 LEU 37 0.525 2.423 14.067 305 H TYR 38 H TYR 38 1.835 -0.438 9.348 306 HA TYR 38 HA TYR 38 4.505 0.770 9.422 307 HB2 TYR 38 HB2 TYR 38 4.240 -1.555 10.235 308 HB3 TYR 38 HB3 TYR 38 3.734 -2.038 8.619 309 HD1 TYR 38 HD1 TYR 38 6.557 -0.122 10.165 310 HD2 TYR 38 HD2 TYR 38 5.364 -3.070 7.337 311 HE1 TYR 38 HE1 TYR 38 8.911 -0.466 9.544 312 HE2 TYR 38 HE2 TYR 38 7.718 -3.424 6.709 313 HH TYR 38 HH TYR 38 10.330 -2.055 8.528 314 H ILE 39 H ILE 39 2.110 -0.385 7.082 315 HA ILE 39 HA ILE 39 3.935 0.077 4.880 316 HB ILE 39 HB ILE 39 1.053 -0.827 4.920 317 HG12 ILE 39 HG12 ILE 39 2.122 -2.889 3.861 318 HG13 ILE 39 HG13 ILE 39 3.674 -2.202 4.319 319 HG21 ILE 39 HG21 ILE 39 2.828 -0.420 2.518 320 HG22 ILE 39 HG22 ILE 39 1.398 0.525 2.930 321 HG23 ILE 39 HG23 ILE 39 1.235 -1.180 2.506 322 HD11 ILE 39 HD11 ILE 39 3.020 -2.290 6.666 323 HD12 ILE 39 HD12 ILE 39 2.929 -3.879 5.909 324 HD13 ILE 39 HD13 ILE 39 1.454 -2.959 6.206 325 H PHE 40 H PHE 40 1.234 1.674 6.425 326 HA PHE 40 HA PHE 40 1.682 3.986 4.646 327 HB2 PHE 40 HB2 PHE 40 -0.777 3.410 6.312 328 HB3 PHE 40 HB3 PHE 40 -0.563 4.750 5.200 329 HD1 PHE 40 HD2 PHE 40 0.311 3.697 2.743 330 HD2 PHE 40 HD1 PHE 40 -2.305 1.911 5.590 331 HE1 PHE 40 HE2 PHE 40 -0.731 2.364 0.952 332 HE2 PHE 40 HE1 PHE 40 -3.350 0.585 3.810 333 HZ PHE 40 HZ PHE 40 -2.571 0.806 1.488 334 HA PRO 41 HA PRO 41 2.841 4.586 9.200 335 HB2 PRO 41 HB2 PRO 41 5.408 5.435 8.923 336 HB3 PRO 41 HB3 PRO 41 4.956 3.730 9.028 337 HG2 PRO 41 HG2 PRO 41 5.628 5.370 6.626 338 HG3 PRO 41 HG3 PRO 41 6.069 3.696 7.001 339 HD2 PRO 41 HD2 PRO 41 4.048 4.372 5.300 340 HD3 PRO 41 HD3 PRO 41 4.066 2.869 6.245 341 H HIS 42 H HIS 42 4.366 6.749 6.802 342 HA HIS 42 HA HIS 42 3.296 9.027 8.313 343 HB2 HIS 42 HB2 HIS 42 5.758 8.939 8.014 344 HB3 HIS 42 HB3 HIS 42 5.529 8.977 6.270 345 HD1 HIS 42 HD1 HIS 42 5.027 11.148 9.330 346 HD2 HIS 42 HD2 HIS 42 5.263 11.475 5.192 347 HE1 HIS 42 HE1 HIS 42 5.081 13.611 8.844 348 HE2 HIS 42 HE2 HIS 42 5.467 13.773 6.362 349 H ILE 43 H ILE 43 2.948 7.308 5.381 350 HA ILE 43 HA ILE 43 1.961 9.695 3.990 351 HB ILE 43 HB ILE 43 2.342 8.318 1.889 352 HG12 ILE 43 HG12 ILE 43 4.221 6.610 2.190 353 HG13 ILE 43 HG13 ILE 43 3.804 6.597 3.895 354 HG21 ILE 43 HG21 ILE 43 4.676 9.135 3.610 355 HG22 ILE 43 HG22 ILE 43 3.762 10.164 2.507 356 HG23 ILE 43 HG23 ILE 43 4.753 8.849 1.872 357 HD11 ILE 43 HD11 ILE 43 1.578 5.798 3.369 358 HD12 ILE 43 HD12 ILE 43 2.808 4.729 2.694 359 HD13 ILE 43 HD13 ILE 43 1.949 5.858 1.646 360 H GLY 44 H GLY 44 0.492 7.645 5.775 361 HA2 GLY 44 HA2 GLY 44 -1.290 6.238 4.023 362 HA3 GLY 44 HA3 GLY 44 -1.459 6.409 5.761 363 H SER 45 H SER 45 -1.092 9.428 4.421 364 HA SER 45 HA SER 45 -3.863 10.070 4.847 365 HB2 SER 45 HB2 SER 45 -3.009 12.408 4.210 366 HB3 SER 45 HB3 SER 45 -2.338 11.680 5.670 367 HG SER 45 HG SER 45 -0.472 11.974 4.771 368 H SER 46 H SER 46 -2.066 8.994 2.231 369 HA SER 46 HA SER 46 -3.558 10.505 0.247 370 HB2 SER 46 HB2 SER 46 -1.301 8.510 -0.056 371 HB3 SER 46 HB3 SER 46 -2.042 9.405 -1.384 372 HG SER 46 HG SER 46 -1.448 11.341 -0.115 373 H ASP 47 H ASP 47 -5.223 9.761 -0.866 374 HA ASP 47 HA ASP 47 -5.958 6.932 -0.637 375 HB2 ASP 47 HB2 ASP 47 -7.726 8.543 -0.079 376 HB3 ASP 47 HB3 ASP 47 -7.540 9.311 -1.654 377 H ILE 48 H ILE 48 -6.907 5.991 -2.711 378 HA ILE 48 HA ILE 48 -4.857 5.879 -4.619 379 HB ILE 48 HB ILE 48 -6.438 4.026 -4.187 380 HG12 ILE 48 HG12 ILE 48 -6.759 3.359 -6.564 381 HG13 ILE 48 HG13 ILE 48 -6.320 4.992 -7.051 382 HG21 ILE 48 HG21 ILE 48 -8.497 5.313 -3.996 383 HG22 ILE 48 HG22 ILE 48 -8.659 4.038 -5.205 384 HG23 ILE 48 HG23 ILE 48 -8.419 5.711 -5.712 385 HD11 ILE 48 HD11 ILE 48 -4.442 3.499 -7.300 386 HD12 ILE 48 HD12 ILE 48 -4.554 3.033 -5.603 387 HD13 ILE 48 HD13 ILE 48 -4.110 4.684 -6.037 388 H ARG 49 H ARG 49 -7.733 7.888 -4.448 389 HA ARG 49 HA ARG 49 -7.775 8.595 -7.214 390 HB2 ARG 49 HB2 ARG 49 -9.675 8.865 -5.498 391 HB3 ARG 49 HB3 ARG 49 -8.846 10.335 -4.995 392 HG2 ARG 49 HG2 ARG 49 -8.994 11.153 -7.336 393 HG3 ARG 49 HG3 ARG 49 -9.959 9.729 -7.727 394 HD2 ARG 49 HD2 ARG 49 -11.549 11.383 -7.328 395 HD3 ARG 49 HD3 ARG 49 -11.490 10.484 -5.814 396 HE ARG 49 HE ARG 49 -9.684 12.560 -5.541 397 HH11 ARG 49 HH11 ARG 49 -13.137 12.207 -6.057 398 HH12 ARG 49 HH12 ARG 49 -13.531 13.734 -5.329 399 HH21 ARG 49 HH21 ARG 49 -10.209 14.588 -4.613 400 HH22 ARG 49 HH22 ARG 49 -11.870 15.103 -4.554 401 H GLN 50 H GLN 50 -5.866 9.566 -4.540 402 HA GLN 50 HA GLN 50 -4.591 11.623 -6.200 403 HB2 GLN 50 HB2 GLN 50 -6.060 12.720 -4.519 404 HB3 GLN 50 HB3 GLN 50 -5.155 11.920 -3.243 405 HG2 GLN 50 HG2 GLN 50 -4.469 14.236 -3.526 406 HG3 GLN 50 HG3 GLN 50 -3.149 13.126 -3.877 407 HE21 GLN 50 HE21 GLN 50 -2.361 12.975 -5.949 408 HE22 GLN 50 HE22 GLN 50 -2.799 14.076 -7.210 409 H LEU 51 H LEU 51 -3.205 9.791 -6.618 410 HA LEU 51 HA LEU 51 -1.538 8.901 -4.386 411 HB2 LEU 51 HB2 LEU 51 -2.675 7.527 -6.468 412 HB3 LEU 51 HB3 LEU 51 -1.050 7.782 -7.067 413 HG LEU 51 HG LEU 51 -1.313 5.601 -5.956 414 HD11 LEU 51 HD11 LEU 51 0.502 7.496 -4.484 415 HD12 LEU 51 HD12 LEU 51 0.875 6.646 -5.984 416 HD13 LEU 51 HD13 LEU 51 0.631 5.737 -4.491 417 HD21 LEU 51 HD21 LEU 51 -3.013 6.234 -4.329 418 HD22 LEU 51 HD22 LEU 51 -1.836 7.234 -3.477 419 HD23 LEU 51 HD23 LEU 51 -1.628 5.483 -3.541 420 H LYS 52 H LYS 52 0.655 9.256 -4.306 421 HA LYS 52 HA LYS 52 1.620 11.441 -5.964 422 HB2 LYS 52 HB2 LYS 52 2.777 10.159 -3.480 423 HB3 LYS 52 HB3 LYS 52 3.498 11.519 -4.330 424 HG2 LYS 52 HG2 LYS 52 1.536 12.878 -3.862 425 HG3 LYS 52 HG3 LYS 52 0.774 11.513 -3.045 426 HD2 LYS 52 HD2 LYS 52 2.503 11.518 -1.350 427 HD3 LYS 52 HD3 LYS 52 3.375 12.796 -2.205 428 HE2 LYS 52 HE2 LYS 52 1.492 14.314 -1.856 429 HE3 LYS 52 HE3 LYS 52 0.606 13.036 -1.026 430 HZ1 LYS 52 HZ1 LYS 52 1.731 14.662 0.453 431 HZ2 LYS 52 HZ2 LYS 52 3.225 14.080 -0.098 432 HZ3 LYS 52 HZ3 LYS 52 2.168 13.053 0.736 433 H THR 53 H THR 53 4.070 11.320 -6.408 434 HA THR 53 HA THR 53 4.495 8.929 -8.016 435 HB THR 53 HB THR 53 6.397 11.235 -8.033 436 HG1 THR 53 HG1 THR 53 4.835 12.249 -9.556 437 HG21 THR 53 HG21 THR 53 6.387 10.779 -10.445 438 HG22 THR 53 HG22 THR 53 5.137 9.557 -10.210 439 HG23 THR 53 HG23 THR 53 6.743 9.316 -9.525 440 H SER 54 H SER 54 7.335 9.058 -8.123 441 HA SER 54 HA SER 54 8.036 7.291 -6.104 442 HB2 SER 54 HB2 SER 54 9.977 9.028 -7.628 443 HB3 SER 54 HB3 SER 54 10.257 7.415 -6.970 444 HG SER 54 HG SER 54 9.359 8.052 -9.375 445 H HIS 55 H HIS 55 7.655 10.621 -5.758 446 HA HIS 55 HA HIS 55 9.627 11.168 -3.780 447 HB2 HIS 55 HB2 HIS 55 6.912 12.450 -4.193 448 HB3 HIS 55 HB3 HIS 55 8.184 13.084 -3.153 449 HD1 HIS 55 HD1 HIS 55 9.961 14.518 -4.245 450 HD2 HIS 55 HD2 HIS 55 7.509 12.560 -6.980 451 HE1 HIS 55 HE1 HIS 55 10.542 15.486 -6.493 452 HE2 HIS 55 HE2 HIS 55 9.175 14.171 -8.154 453 H LEU 56 H LEU 56 6.563 9.602 -3.812 454 HA LEU 56 HA LEU 56 5.950 9.639 -1.044 455 HB2 LEU 56 HB2 LEU 56 4.399 9.059 -2.949 456 HB3 LEU 56 HB3 LEU 56 5.217 7.514 -3.069 457 HG LEU 56 HG LEU 56 4.540 7.159 -0.625 458 HD11 LEU 56 HD11 LEU 56 3.961 9.460 -0.108 459 HD12 LEU 56 HD12 LEU 56 2.555 8.416 0.089 460 HD13 LEU 56 HD13 LEU 56 2.701 9.440 -1.340 461 HD21 LEU 56 HD21 LEU 56 3.521 5.991 -2.519 462 HD22 LEU 56 HD22 LEU 56 2.398 7.331 -2.742 463 HD23 LEU 56 HD23 LEU 56 2.330 6.359 -1.272 464 H LEU 57 H LEU 57 8.278 7.932 -2.875 465 HA LEU 57 HA LEU 57 8.448 5.596 -1.210 466 HB2 LEU 57 HB2 LEU 57 9.002 5.481 -3.569 467 HB3 LEU 57 HB3 LEU 57 10.260 6.682 -3.366 468 HG LEU 57 HG LEU 57 11.507 5.093 -1.928 469 HD11 LEU 57 HD11 LEU 57 9.336 3.165 -2.753 470 HD12 LEU 57 HD12 LEU 57 9.644 3.758 -1.121 471 HD13 LEU 57 HD13 LEU 57 10.832 2.730 -1.925 472 HD21 LEU 57 HD21 LEU 57 10.781 4.050 -4.665 473 HD22 LEU 57 HD22 LEU 57 12.231 3.638 -3.750 474 HD23 LEU 57 HD23 LEU 57 11.986 5.289 -4.318 475 H ALA 58 H ALA 58 9.608 8.765 -0.983 476 HA ALA 58 HA ALA 58 12.161 8.550 0.013 477 HB1 ALA 58 HB1 ALA 58 11.075 10.672 -0.521 478 HB2 ALA 58 HB2 ALA 58 11.841 10.703 1.066 479 HB3 ALA 58 HB3 ALA 58 10.089 10.531 0.932 480 HA PRO 59 HA PRO 59 10.483 7.989 4.575 481 HB2 PRO 59 HB2 PRO 59 7.845 6.769 4.005 482 HB3 PRO 59 HB3 PRO 59 8.318 7.909 5.262 483 HG2 PRO 59 HG2 PRO 59 6.862 8.714 3.185 484 HG3 PRO 59 HG3 PRO 59 8.142 9.747 3.855 485 HD2 PRO 59 HD2 PRO 59 8.184 8.029 1.400 486 HD3 PRO 59 HD3 PRO 59 8.836 9.663 1.642 487 H ILE 60 H ILE 60 9.339 5.790 2.051 488 HA ILE 60 HA ILE 60 9.673 3.438 3.639 489 HB ILE 60 HB ILE 60 9.229 3.807 0.671 490 HG12 ILE 60 HG12 ILE 60 7.003 2.695 1.308 491 HG13 ILE 60 HG13 ILE 60 7.443 3.033 2.977 492 HG21 ILE 60 HG21 ILE 60 10.447 1.742 0.966 493 HG22 ILE 60 HG22 ILE 60 8.767 1.393 0.561 494 HG23 ILE 60 HG23 ILE 60 9.325 1.227 2.226 495 HD11 ILE 60 HD11 ILE 60 5.930 4.712 2.108 496 HD12 ILE 60 HD12 ILE 60 7.057 5.079 0.801 497 HD13 ILE 60 HD13 ILE 60 7.503 5.420 2.472 498 H LYS 61 H LYS 61 11.723 5.365 1.658 499 HA LYS 61 HA LYS 61 13.622 3.346 0.977 500 HB2 LYS 61 HB2 LYS 61 14.713 4.945 -0.174 501 HB3 LYS 61 HB3 LYS 61 13.203 5.812 0.040 502 HG2 LYS 61 HG2 LYS 61 14.693 7.416 0.651 503 HG3 LYS 61 HG3 LYS 61 14.374 6.670 2.220 504 HD2 LYS 61 HD2 LYS 61 16.388 5.308 2.004 505 HD3 LYS 61 HD3 LYS 61 16.698 6.001 0.409 506 HE2 LYS 61 HE2 LYS 61 16.772 8.218 1.484 507 HE3 LYS 61 HE3 LYS 61 16.681 7.429 3.052 508 HZ1 LYS 61 HZ1 LYS 61 18.749 6.341 2.649 509 HZ2 LYS 61 HZ2 LYS 61 18.977 7.994 2.331 510 HZ3 LYS 61 HZ3 LYS 61 18.808 6.896 1.049 511 H GLU 62 H GLU 62 12.997 5.213 3.767 512 HA GLU 62 HA GLU 62 15.480 5.379 4.991 513 HB2 GLU 62 HB2 GLU 62 13.376 6.459 5.762 514 HB3 GLU 62 HB3 GLU 62 12.828 4.897 6.346 515 HG2 GLU 62 HG2 GLU 62 14.727 4.820 7.892 516 HG3 GLU 62 HG3 GLU 62 15.241 6.408 7.317 517 H VAL 63 H VAL 63 13.201 2.654 4.921 518 HA VAL 63 HA VAL 63 14.622 1.135 6.879 519 HB VAL 63 HB VAL 63 12.197 0.802 6.371 520 HG11 VAL 63 HG11 VAL 63 12.236 0.886 3.964 521 HG12 VAL 63 HG12 VAL 63 11.583 -0.663 4.498 522 HG13 VAL 63 HG13 VAL 63 13.239 -0.563 3.901 523 HG21 VAL 63 HG21 VAL 63 12.244 -1.631 6.630 524 HG22 VAL 63 HG22 VAL 63 13.449 -0.840 7.647 525 HG23 VAL 63 HG23 VAL 63 13.942 -1.645 6.157 526 H ASP 64 H ASP 64 14.809 1.463 3.407 527 HA ASP 64 HA ASP 64 16.412 -0.780 2.827 528 HB2 ASP 64 HB2 ASP 64 15.408 0.472 1.018 529 HB3 ASP 64 HB3 ASP 64 16.249 1.940 1.505 530 H THR 65 H THR 65 17.263 2.579 3.580 531 HA THR 65 HA THR 65 20.053 2.198 3.657 532 HB THR 65 HB THR 65 18.487 4.265 5.213 533 HG1 THR 65 HG1 THR 65 19.143 4.056 2.462 534 HG21 THR 65 HG21 THR 65 20.861 4.171 5.766 535 HG22 THR 65 HG22 THR 65 20.498 5.641 4.859 536 HG23 THR 65 HG23 THR 65 21.278 4.277 4.057 537 H SER 66 H SER 66 17.519 1.811 6.064 538 HA SER 66 HA SER 66 19.151 1.586 8.340 539 HB2 SER 66 HB2 SER 66 16.463 0.299 7.799 540 HB3 SER 66 HB3 SER 66 17.218 0.471 9.385 541 HG SER 66 HG SER 66 16.424 2.582 7.645 542 H GLY 67 H GLY 67 18.030 -0.840 5.991 543 HA2 GLY 67 HA2 GLY 67 20.193 -2.374 5.807 544 HA3 GLY 67 HA3 GLY 67 19.576 -2.896 7.364 545 H LYS 68 H LYS 68 16.748 -2.551 6.444 546 HA LYS 68 HA LYS 68 16.657 -5.167 5.149 547 HB2 LYS 68 HB2 LYS 68 14.493 -3.646 6.604 548 HB3 LYS 68 HB3 LYS 68 14.305 -5.246 5.895 549 HG2 LYS 68 HG2 LYS 68 16.363 -5.825 7.404 550 HG3 LYS 68 HG3 LYS 68 15.831 -4.408 8.311 551 HD2 LYS 68 HD2 LYS 68 14.858 -6.465 9.212 552 HD3 LYS 68 HD3 LYS 68 13.613 -5.396 8.562 553 HE2 LYS 68 HE2 LYS 68 13.439 -6.697 6.564 554 HE3 LYS 68 HE3 LYS 68 14.829 -7.681 7.023 555 HZ1 LYS 68 HZ1 LYS 68 12.259 -7.565 8.518 556 HZ2 LYS 68 HZ2 LYS 68 13.573 -8.576 8.858 557 HZ3 LYS 68 HZ3 LYS 68 12.687 -8.794 7.428 558 H HIS 69 H HIS 69 17.130 -4.456 3.088 559 HA HIS 69 HA HIS 69 15.517 -2.505 1.743 560 HB2 HIS 69 HB2 HIS 69 16.897 -2.809 -0.115 561 HB3 HIS 69 HB3 HIS 69 17.969 -3.177 1.225 562 HD1 HIS 69 HD1 HIS 69 18.675 -5.706 1.514 563 HD2 HIS 69 HD2 HIS 69 16.400 -4.882 -1.872 564 HE1 HIS 69 HE1 HIS 69 18.919 -7.712 0.026 565 HE2 HIS 69 HE2 HIS 69 17.719 -7.095 -2.102 566 H ASP 70 H ASP 70 15.444 -5.924 2.206 567 HA ASP 70 HA ASP 70 13.987 -6.782 -0.003 568 HB2 ASP 70 HB2 ASP 70 15.054 -8.369 1.446 569 HB3 ASP 70 HB3 ASP 70 14.096 -7.838 2.823 570 H VAL 71 H VAL 71 12.793 -5.696 3.150 571 HA VAL 71 HA VAL 71 10.075 -6.181 2.705 572 HB VAL 71 HB VAL 71 11.283 -4.007 4.425 573 HG11 VAL 71 HG11 VAL 71 8.588 -5.352 4.585 574 HG12 VAL 71 HG12 VAL 71 8.886 -3.708 4.022 575 HG13 VAL 71 HG13 VAL 71 9.212 -4.137 5.702 576 HG21 VAL 71 HG21 VAL 71 11.083 -5.640 6.260 577 HG22 VAL 71 HG22 VAL 71 12.210 -6.170 5.013 578 HG23 VAL 71 HG23 VAL 71 10.592 -6.867 5.093 579 H ALA 72 H ALA 72 11.952 -3.199 2.257 580 HA ALA 72 HA ALA 72 9.890 -1.529 1.426 581 HB1 ALA 72 HB1 ALA 72 12.134 -0.744 2.022 582 HB2 ALA 72 HB2 ALA 72 11.614 -0.124 0.455 583 HB3 ALA 72 HB3 ALA 72 12.768 -1.455 0.540 584 H GLN 73 H GLN 73 11.989 -3.633 -0.501 585 HA GLN 73 HA GLN 73 11.084 -2.838 -3.026 586 HB2 GLN 73 HB2 GLN 73 12.296 -5.425 -2.059 587 HB3 GLN 73 HB3 GLN 73 12.065 -5.008 -3.741 588 HG2 GLN 73 HG2 GLN 73 13.498 -2.979 -2.213 589 HG3 GLN 73 HG3 GLN 73 14.318 -4.536 -2.293 590 HE21 GLN 73 HE21 GLN 73 13.212 -1.785 -4.087 591 HE22 GLN 73 HE22 GLN 73 14.067 -2.147 -5.552 592 H ARG 74 H ARG 74 10.112 -5.541 -0.945 593 HA ARG 74 HA ARG 74 8.189 -6.655 -2.649 594 HB2 ARG 74 HB2 ARG 74 8.777 -6.806 0.247 595 HB3 ARG 74 HB3 ARG 74 7.156 -7.268 -0.239 596 HG2 ARG 74 HG2 ARG 74 8.451 -9.243 -0.160 597 HG3 ARG 74 HG3 ARG 74 8.183 -8.869 -1.861 598 HD2 ARG 74 HD2 ARG 74 10.672 -7.961 -0.464 599 HD3 ARG 74 HD3 ARG 74 10.535 -9.606 -1.079 600 HE ARG 74 HE ARG 74 9.833 -7.809 -3.128 601 HH11 ARG 74 HH11 ARG 74 12.639 -8.776 -1.258 602 HH12 ARG 74 HH12 ARG 74 13.762 -8.463 -2.558 603 HH21 ARG 74 HH21 ARG 74 11.299 -7.375 -4.815 604 HH22 ARG 74 HH22 ARG 74 12.999 -7.652 -4.578 605 H LEU 75 H LEU 75 7.976 -3.946 -0.423 606 HA LEU 75 HA LEU 75 5.168 -3.721 -0.388 607 HB2 LEU 75 HB2 LEU 75 7.446 -2.005 0.347 608 HB3 LEU 75 HB3 LEU 75 5.986 -1.139 -0.087 609 HG LEU 75 HG LEU 75 4.737 -2.324 1.648 610 HD11 LEU 75 HD11 LEU 75 7.367 -3.642 2.301 611 HD12 LEU 75 HD12 LEU 75 5.939 -4.436 1.634 612 HD13 LEU 75 HD13 LEU 75 5.891 -3.750 3.260 613 HD21 LEU 75 HD21 LEU 75 5.844 -1.326 3.599 614 HD22 LEU 75 HD22 LEU 75 5.823 -0.226 2.219 615 HD23 LEU 75 HD23 LEU 75 7.305 -1.088 2.638 616 H GLN 76 H GLN 76 7.600 -2.180 -2.489 617 HA GLN 76 HA GLN 76 5.899 -0.522 -3.965 618 HB2 GLN 76 HB2 GLN 76 8.137 -1.942 -5.356 619 HB3 GLN 76 HB3 GLN 76 7.643 -0.259 -5.478 620 HG2 GLN 76 HG2 GLN 76 8.446 -0.091 -3.054 621 HG3 GLN 76 HG3 GLN 76 9.287 -1.598 -3.385 622 HE21 GLN 76 HE21 GLN 76 10.944 -1.632 -4.926 623 HE22 GLN 76 HE22 GLN 76 11.724 -0.183 -5.451 624 H GLN 77 H GLN 77 6.872 -3.830 -4.449 625 HA GLN 77 HA GLN 77 5.628 -4.389 -6.877 626 HB2 GLN 77 HB2 GLN 77 7.227 -5.902 -5.898 627 HB3 GLN 77 HB3 GLN 77 6.202 -6.160 -4.498 628 HG2 GLN 77 HG2 GLN 77 5.036 -6.867 -7.114 629 HG3 GLN 77 HG3 GLN 77 6.380 -7.861 -6.557 630 HE21 GLN 77 HE21 GLN 77 6.166 -9.021 -4.628 631 HE22 GLN 77 HE22 GLN 77 4.608 -9.409 -3.972 632 H ARG 78 H ARG 78 4.314 -4.429 -3.606 633 HA ARG 78 HA ARG 78 1.822 -5.554 -4.513 634 HB2 ARG 78 HB2 ARG 78 2.797 -4.612 -1.824 635 HB3 ARG 78 HB3 ARG 78 1.151 -5.173 -2.090 636 HG2 ARG 78 HG2 ARG 78 1.950 -7.338 -2.793 637 HG3 ARG 78 HG3 ARG 78 3.622 -6.793 -2.676 638 HD2 ARG 78 HD2 ARG 78 3.410 -6.538 -0.282 639 HD3 ARG 78 HD3 ARG 78 1.695 -6.948 -0.362 640 HE ARG 78 HE ARG 78 2.482 -9.174 -1.221 641 HH11 ARG 78 HH11 ARG 78 4.511 -7.215 0.849 642 HH12 ARG 78 HH12 ARG 78 5.394 -8.570 1.487 643 HH21 ARG 78 HH21 ARG 78 3.635 -10.965 -0.389 644 HH22 ARG 78 HH22 ARG 78 4.907 -10.702 0.769 645 H VAL 79 H VAL 79 3.109 -2.388 -3.962 646 HA VAL 79 HA VAL 79 0.653 -0.994 -3.751 647 HB VAL 79 HB VAL 79 3.298 -0.024 -4.850 648 HG11 VAL 79 HG11 VAL 79 2.451 2.230 -4.433 649 HG12 VAL 79 HG12 VAL 79 0.896 1.558 -3.945 650 HG13 VAL 79 HG13 VAL 79 1.449 1.380 -5.611 651 HG21 VAL 79 HG21 VAL 79 3.580 1.000 -2.636 652 HG22 VAL 79 HG22 VAL 79 3.470 -0.757 -2.539 653 HG23 VAL 79 HG23 VAL 79 2.081 0.240 -2.105 654 H THR 80 H THR 80 2.710 -1.799 -6.550 655 HA THR 80 HA THR 80 0.948 -0.605 -8.438 656 HB THR 80 HB THR 80 3.348 -1.021 -8.930 657 HG1 THR 80 HG1 THR 80 2.541 -0.799 -10.866 658 HG21 THR 80 HG21 THR 80 4.032 -3.275 -9.684 659 HG22 THR 80 HG22 THR 80 2.492 -3.910 -9.109 660 HG23 THR 80 HG23 THR 80 3.644 -3.221 -7.964 661 H ALA 81 H ALA 81 1.172 -3.754 -6.947 662 HA ALA 81 HA ALA 81 -0.614 -5.167 -8.597 663 HB1 ALA 81 HB1 ALA 81 -0.867 -6.697 -6.716 664 HB2 ALA 81 HB2 ALA 81 -0.116 -5.518 -5.642 665 HB3 ALA 81 HB3 ALA 81 0.826 -6.255 -6.939 666 H ILE 82 H ILE 82 -1.104 -2.952 -5.925 667 HA ILE 82 HA ILE 82 -3.951 -3.263 -5.838 668 HB ILE 82 HB ILE 82 -2.175 -1.034 -4.818 669 HG12 ILE 82 HG12 ILE 82 -3.501 -3.323 -3.347 670 HG13 ILE 82 HG13 ILE 82 -1.799 -3.272 -3.800 671 HG21 ILE 82 HG21 ILE 82 -4.094 -0.360 -3.450 672 HG22 ILE 82 HG22 ILE 82 -5.086 -1.595 -4.226 673 HG23 ILE 82 HG23 ILE 82 -4.460 -0.242 -5.170 674 HD11 ILE 82 HD11 ILE 82 -2.110 -2.696 -1.466 675 HD12 ILE 82 HD12 ILE 82 -3.191 -1.378 -1.922 676 HD13 ILE 82 HD13 ILE 82 -1.488 -1.318 -2.372 677 H MET 83 H MET 83 -1.692 -1.001 -7.320 678 HA MET 83 HA MET 83 -3.524 0.907 -8.212 679 HB2 MET 83 HB2 MET 83 -1.146 1.350 -8.069 680 HB3 MET 83 HB3 MET 83 -0.815 0.156 -9.315 681 HG2 MET 83 HG2 MET 83 -1.881 1.499 -10.979 682 HG3 MET 83 HG3 MET 83 -2.461 2.633 -9.760 683 HE1 MET 83 HE1 MET 83 -0.921 4.309 -8.443 684 HE2 MET 83 HE2 MET 83 0.837 4.333 -8.564 685 HE3 MET 83 HE3 MET 83 0.022 2.941 -7.852 686 H ARG 84 H ARG 84 -2.424 -2.073 -9.758 687 HA ARG 84 HA ARG 84 -3.415 -1.549 -12.331 688 HB2 ARG 84 HB2 ARG 84 -3.368 -3.995 -12.662 689 HB3 ARG 84 HB3 ARG 84 -1.887 -3.380 -11.939 690 HG2 ARG 84 HG2 ARG 84 -2.679 -4.106 -9.737 691 HG3 ARG 84 HG3 ARG 84 -4.136 -4.756 -10.491 692 HD2 ARG 84 HD2 ARG 84 -2.819 -6.323 -11.772 693 HD3 ARG 84 HD3 ARG 84 -1.324 -5.621 -11.151 694 HE ARG 84 HE ARG 84 -2.703 -6.374 -8.916 695 HH11 ARG 84 HH11 ARG 84 -1.636 -8.043 -11.819 696 HH12 ARG 84 HH12 ARG 84 -1.401 -9.562 -10.992 697 HH21 ARG 84 HH21 ARG 84 -2.402 -8.378 -7.852 698 HH22 ARG 84 HH22 ARG 84 -1.857 -9.754 -8.770 699 H TYR 85 H TYR 85 -5.054 -2.686 -9.431 700 HA TYR 85 HA TYR 85 -7.484 -3.426 -10.723 701 HB2 TYR 85 HB2 TYR 85 -6.767 -2.733 -7.888 702 HB3 TYR 85 HB3 TYR 85 -8.444 -2.977 -8.356 703 HD1 TYR 85 HD2 TYR 85 -5.116 -4.665 -8.414 704 HD2 TYR 85 HD1 TYR 85 -9.346 -5.110 -8.351 705 HE1 TYR 85 HE2 TYR 85 -4.852 -7.090 -8.091 706 HE2 TYR 85 HE1 TYR 85 -9.095 -7.531 -8.027 707 HH TYR 85 HH TYR 85 -7.501 -9.280 -8.357 708 H ALA 86 H ALA 86 -6.279 -0.464 -9.248 709 HA ALA 86 HA ALA 86 -8.613 1.079 -9.470 710 HB1 ALA 86 HB1 ALA 86 -6.678 1.742 -8.118 711 HB2 ALA 86 HB2 ALA 86 -7.149 3.012 -9.247 712 HB3 ALA 86 HB3 ALA 86 -5.743 2.003 -9.590 713 H VAL 87 H VAL 87 -5.963 0.472 -11.721 714 HA VAL 87 HA VAL 87 -6.894 2.222 -13.758 715 HB VAL 87 HB VAL 87 -5.127 -0.223 -14.014 716 HG11 VAL 87 HG11 VAL 87 -6.052 0.465 -16.166 717 HG12 VAL 87 HG12 VAL 87 -4.326 0.815 -16.082 718 HG13 VAL 87 HG13 VAL 87 -5.499 2.118 -15.886 719 HG21 VAL 87 HG21 VAL 87 -3.265 1.367 -13.934 720 HG22 VAL 87 HG22 VAL 87 -4.213 1.397 -12.447 721 HG23 VAL 87 HG23 VAL 87 -4.404 2.681 -13.642 722 H GLN 88 H GLN 88 -7.529 -1.120 -12.924 723 HA GLN 88 HA GLN 88 -8.838 -1.908 -15.289 724 HB2 GLN 88 HB2 GLN 88 -8.042 -3.479 -13.551 725 HB3 GLN 88 HB3 GLN 88 -9.290 -2.890 -12.464 726 HG2 GLN 88 HG2 GLN 88 -10.019 -4.951 -13.399 727 HG3 GLN 88 HG3 GLN 88 -10.996 -3.654 -14.089 728 HE21 GLN 88 HE21 GLN 88 -8.561 -6.034 -14.682 729 HE22 GLN 88 HE22 GLN 88 -8.580 -5.938 -16.411 730 H ASN 89 H ASN 89 -10.062 -0.481 -12.275 731 HA ASN 89 HA ASN 89 -12.766 -0.421 -13.329 732 HB2 ASN 89 HB2 ASN 89 -11.630 0.583 -10.713 733 HB3 ASN 89 HB3 ASN 89 -13.332 0.658 -11.150 734 HD21 ASN 89 HD21 ASN 89 -14.517 -1.267 -11.305 735 HD22 ASN 89 HD22 ASN 89 -13.966 -2.734 -10.572 736 H ASP 90 H ASP 90 -10.196 1.350 -14.009 737 HA ASP 90 HA ASP 90 -9.841 3.360 -14.989 738 HB2 ASP 90 HB2 ASP 90 -11.902 2.667 -16.257 739 HB3 ASP 90 HB3 ASP 90 -12.853 3.614 -15.119 740 H TYR 91 H TYR 91 -9.977 3.211 -12.120 741 HA TYR 91 HA TYR 91 -11.170 5.662 -11.202 742 HB2 TYR 91 HB2 TYR 91 -9.162 3.790 -9.936 743 HB3 TYR 91 HB3 TYR 91 -9.742 5.251 -9.148 744 HD1 TYR 91 HD2 TYR 91 -12.594 5.233 -9.782 745 HD2 TYR 91 HD1 TYR 91 -10.015 2.014 -8.724 746 HE1 TYR 91 HE2 TYR 91 -14.517 3.997 -8.882 747 HE2 TYR 91 HE1 TYR 91 -11.934 0.771 -7.824 748 HH TYR 91 HH TYR 91 -14.172 1.268 -6.912 749 H ILE 92 H ILE 92 -7.921 4.548 -12.002 750 HA ILE 92 HA ILE 92 -7.165 7.343 -12.483 751 HB ILE 92 HB ILE 92 -4.868 6.856 -11.722 752 HG12 ILE 92 HG12 ILE 92 -6.036 4.271 -10.671 753 HG13 ILE 92 HG13 ILE 92 -4.943 4.397 -12.042 754 HG21 ILE 92 HG21 ILE 92 -5.323 6.893 -9.315 755 HG22 ILE 92 HG22 ILE 92 -6.981 6.378 -9.630 756 HG23 ILE 92 HG23 ILE 92 -6.420 7.947 -10.207 757 HD11 ILE 92 HD11 ILE 92 -3.799 3.686 -10.006 758 HD12 ILE 92 HD12 ILE 92 -4.284 5.185 -9.213 759 HD13 ILE 92 HD13 ILE 92 -3.188 5.232 -10.595 760 H ASP 93 H ASP 93 -5.746 7.669 -14.200 761 HA ASP 93 HA ASP 93 -5.417 5.333 -15.966 762 HB2 ASP 93 HB2 ASP 93 -6.889 7.046 -16.919 763 HB3 ASP 93 HB3 ASP 93 -5.637 8.265 -16.694 764 H SER 94 H SER 94 -3.861 7.862 -14.254 765 HA SER 94 HA SER 94 -1.348 7.526 -15.685 766 HB2 SER 94 HB2 SER 94 -1.997 9.293 -13.311 767 HB3 SER 94 HB3 SER 94 -0.556 9.381 -14.324 768 HG SER 94 HG SER 94 -2.358 9.606 -16.073 769 H ASN 95 H ASN 95 0.424 6.509 -14.869 770 HA ASN 95 HA ASN 95 0.076 5.147 -12.268 771 HB2 ASN 95 HB2 ASN 95 1.577 4.219 -14.732 772 HB3 ASN 95 HB3 ASN 95 1.613 3.396 -13.176 773 HD21 ASN 95 HD21 ASN 95 -0.157 2.239 -12.504 774 HD22 ASN 95 HD22 ASN 95 -1.457 1.823 -13.567 775 HA PRO 96 HA PRO 96 3.671 7.956 -11.829 776 HB2 PRO 96 HB2 PRO 96 2.795 8.446 -9.124 777 HB3 PRO 96 HB3 PRO 96 2.823 9.561 -10.489 778 HG2 PRO 96 HG2 PRO 96 0.526 8.616 -9.333 779 HG3 PRO 96 HG3 PRO 96 0.632 9.171 -11.014 780 HD2 PRO 96 HD2 PRO 96 0.662 6.379 -9.929 781 HD3 PRO 96 HD3 PRO 96 -0.139 7.017 -11.381 782 H ALA 97 H ALA 97 2.483 5.544 -9.544 783 HA ALA 97 HA ALA 97 4.943 5.475 -8.055 784 HB1 ALA 97 HB1 ALA 97 2.558 3.639 -7.904 785 HB2 ALA 97 HB2 ALA 97 2.782 5.115 -6.962 786 HB3 ALA 97 HB3 ALA 97 3.870 3.746 -6.732 787 H SER 98 H SER 98 4.147 4.263 -11.003 788 HA SER 98 HA SER 98 5.227 1.628 -10.801 789 HB2 SER 98 HB2 SER 98 4.742 3.354 -13.238 790 HB3 SER 98 HB3 SER 98 5.086 1.624 -13.258 791 HG SER 98 HG SER 98 2.925 1.689 -13.303 792 H ASP 99 H ASP 99 6.663 4.669 -10.808 793 HA ASP 99 HA ASP 99 9.122 3.670 -12.062 794 HB2 ASP 99 HB2 ASP 99 8.177 5.883 -12.790 795 HB3 ASP 99 HB3 ASP 99 8.518 6.498 -11.177 796 H MET 100 H MET 100 7.733 3.814 -9.086 797 HA MET 100 HA MET 100 9.804 4.711 -7.409 798 HB2 MET 100 HB2 MET 100 7.538 2.777 -6.949 799 HB3 MET 100 HB3 MET 100 8.663 3.233 -5.677 800 HG2 MET 100 HG2 MET 100 7.997 5.535 -5.840 801 HG3 MET 100 HG3 MET 100 6.969 5.176 -7.226 802 HE1 MET 100 HE1 MET 100 7.542 4.470 -3.387 803 HE2 MET 100 HE2 MET 100 7.368 2.858 -4.082 804 HE3 MET 100 HE3 MET 100 6.122 3.494 -3.007 805 H ALA 101 H ALA 101 9.106 1.542 -8.784 806 HA ALA 101 HA ALA 101 11.373 0.330 -7.438 807 HB1 ALA 101 HB1 ALA 101 9.485 -0.818 -9.492 808 HB2 ALA 101 HB2 ALA 101 9.314 -0.955 -7.742 809 HB3 ALA 101 HB3 ALA 101 10.676 -1.723 -8.558 810 H GLY 102 H GLY 102 11.337 2.461 -9.776 811 HA2 GLY 102 HA2 GLY 102 12.834 1.156 -11.856 812 HA3 GLY 102 HA3 GLY 102 12.561 2.885 -11.692 813 H ALA 103 H ALA 103 13.692 3.714 -9.528 814 HA ALA 103 HA ALA 103 16.225 2.482 -8.965 815 HB1 ALA 103 HB1 ALA 103 17.623 4.307 -9.757 816 HB2 ALA 103 HB2 ALA 103 16.207 5.128 -10.412 817 HB3 ALA 103 HB3 ALA 103 16.728 3.586 -11.095 818 H LEU 104 H LEU 104 16.343 2.719 -6.842 819 HA LEU 104 HA LEU 104 15.472 5.277 -5.667 820 HB2 LEU 104 HB2 LEU 104 15.021 4.071 -3.597 821 HB3 LEU 104 HB3 LEU 104 14.074 3.433 -4.919 822 HG LEU 104 HG LEU 104 16.633 2.101 -4.069 823 HD11 LEU 104 HD11 LEU 104 15.199 2.323 -2.083 824 HD12 LEU 104 HD12 LEU 104 15.330 0.650 -2.621 825 HD13 LEU 104 HD13 LEU 104 13.871 1.575 -2.973 826 HD21 LEU 104 HD21 LEU 104 15.659 1.443 -6.213 827 HD22 LEU 104 HD22 LEU 104 14.126 1.099 -5.414 828 HD23 LEU 104 HD23 LEU 104 15.554 0.134 -5.037 829 H SER 105 H SER 105 18.101 3.397 -6.410 830 HA SER 105 HA SER 105 19.718 4.235 -4.132 831 HB2 SER 105 HB2 SER 105 20.591 2.656 -6.560 832 HB3 SER 105 HB3 SER 105 21.397 2.754 -4.992 833 HG SER 105 HG SER 105 19.863 1.493 -4.093 834 H THR 106 H THR 106 18.660 5.714 -6.787 835 HA THR 106 HA THR 106 21.083 6.788 -7.864 836 HB THR 106 HB THR 106 19.348 8.441 -8.911 837 HG1 THR 106 HG1 THR 106 17.468 8.086 -7.947 838 HG21 THR 106 HG21 THR 106 19.345 5.491 -9.572 839 HG22 THR 106 HG22 THR 106 20.514 6.679 -10.148 840 HG23 THR 106 HG23 THR 106 18.827 6.790 -10.648 841 H THR 107 H THR 107 22.235 7.869 -6.401 842 HA THR 107 HA THR 107 20.954 10.109 -4.987 843 HB THR 107 HB THR 107 22.896 10.032 -3.451 844 HG1 THR 107 HG1 THR 107 23.733 8.110 -5.295 845 HG21 THR 107 HG21 THR 107 20.881 8.806 -2.850 846 HG22 THR 107 HG22 THR 107 22.314 7.930 -2.309 847 HG23 THR 107 HG23 THR 107 21.446 7.400 -3.752 848 H LYS 108 H LYS 108 22.975 11.721 -4.413 849 HA LYS 108 HA LYS 108 24.541 13.199 -5.104 850 HB2 LYS 108 HB2 LYS 108 24.887 11.129 -7.160 851 HB3 LYS 108 HB3 LYS 108 25.319 12.749 -7.674 852 HG2 LYS 108 HG2 LYS 108 27.309 11.839 -6.882 853 HG3 LYS 108 HG3 LYS 108 26.745 12.864 -5.566 854 HD2 LYS 108 HD2 LYS 108 26.163 9.913 -5.666 855 HD3 LYS 108 HD3 LYS 108 27.639 10.564 -4.959 856 HE2 LYS 108 HE2 LYS 108 26.343 11.846 -3.361 857 HE3 LYS 108 HE3 LYS 108 24.843 11.285 -4.100 858 HZ1 LYS 108 HZ1 LYS 108 25.392 9.032 -3.451 859 HZ2 LYS 108 HZ2 LYS 108 25.388 10.043 -2.091 860 HZ3 LYS 108 HZ3 LYS 108 26.862 9.547 -2.774 861 H ALA 109 H ALA 109 24.549 15.114 -6.105 862 HA ALA 109 HA ALA 109 23.095 15.864 -8.391 863 HB1 ALA 109 HB1 ALA 109 21.224 17.092 -7.390 864 HB2 ALA 109 HB2 ALA 109 21.669 16.475 -5.799 865 HB3 ALA 109 HB3 ALA 109 21.110 15.364 -7.049 866 H ARG 110 H ARG 110 24.339 16.742 -5.240 867 HA ARG 110 HA ARG 110 25.114 19.377 -6.304 868 HB2 ARG 110 HB2 ARG 110 25.043 20.216 -4.012 869 HB3 ARG 110 HB3 ARG 110 23.490 19.525 -4.459 870 HG2 ARG 110 HG2 ARG 110 24.154 17.438 -3.267 871 HG3 ARG 110 HG3 ARG 110 25.597 18.282 -2.706 872 HD2 ARG 110 HD2 ARG 110 24.159 19.972 -1.645 873 HD3 ARG 110 HD3 ARG 110 22.740 19.060 -2.157 874 HE ARG 110 HE ARG 110 24.762 18.094 -0.229 875 HH11 ARG 110 HH11 ARG 110 21.488 18.074 -1.500 876 HH12 ARG 110 HH12 ARG 110 20.880 17.034 -0.249 877 HH21 ARG 110 HH21 ARG 110 23.952 16.759 1.412 878 HH22 ARG 110 HH22 ARG 110 22.273 16.316 1.422 879 H HIS 111 H HIS 111 27.104 20.266 -5.325 880 HA HIS 111 HA HIS 111 29.062 18.138 -4.746 881 HB2 HIS 111 HB2 HIS 111 29.528 20.835 -6.057 882 HB3 HIS 111 HB3 HIS 111 30.778 19.650 -5.684 883 HD1 HIS 111 HD1 HIS 111 28.067 20.414 -8.125 884 HD2 HIS 111 HD2 HIS 111 30.817 17.389 -7.366 885 HE1 HIS 111 HE1 HIS 111 28.068 18.965 -10.180 886 HE2 HIS 111 HE2 HIS 111 29.586 17.036 -9.614 887 H TYR 112 H TYR 112 31.123 19.579 -3.748 888 HA TYR 112 HA TYR 112 30.150 20.284 -1.158 889 HB2 TYR 112 HB2 TYR 112 32.893 20.287 -2.403 890 HB3 TYR 112 HB3 TYR 112 32.610 20.883 -0.769 891 HD1 TYR 112 HD1 TYR 112 32.389 17.882 -2.934 892 HD2 TYR 112 HD2 TYR 112 32.286 19.397 1.040 893 HE1 TYR 112 HE1 TYR 112 32.479 15.585 -2.061 894 HE2 TYR 112 HE2 TYR 112 32.384 17.107 1.923 895 HH TYR 112 HH TYR 112 31.809 14.829 1.170 896 HA PRO 113 HA PRO 113 29.108 24.502 -1.472 897 HB2 PRO 113 HB2 PRO 113 30.805 24.764 0.972 898 HB3 PRO 113 HB3 PRO 113 29.168 25.364 0.669 899 HG2 PRO 113 HG2 PRO 113 29.532 23.189 2.138 900 HG3 PRO 113 HG3 PRO 113 28.208 23.264 0.959 901 HD2 PRO 113 HD2 PRO 113 30.805 21.814 0.804 902 HD3 PRO 113 HD3 PRO 113 29.214 21.358 0.168 903 H LEU 114 H LEU 114 29.867 26.372 -2.217 904 HA LEU 114 HA LEU 114 32.386 26.366 -3.485 905 HB2 LEU 114 HB2 LEU 114 31.851 28.581 -4.273 906 HB3 LEU 114 HB3 LEU 114 30.454 27.543 -4.427 907 HG LEU 114 HG LEU 114 30.762 29.428 -2.102 908 HD11 LEU 114 HD11 LEU 114 29.490 29.997 -4.778 909 HD12 LEU 114 HD12 LEU 114 30.956 30.745 -4.146 910 HD13 LEU 114 HD13 LEU 114 29.408 31.035 -3.354 911 HD21 LEU 114 HD21 LEU 114 28.325 29.269 -2.045 912 HD22 LEU 114 HD22 LEU 114 29.073 27.679 -1.889 913 HD23 LEU 114 HD23 LEU 114 28.360 28.170 -3.424 914 H GLU 115 H GLU 115 31.211 27.763 -0.497 915 HA GLU 115 HA GLU 115 33.683 29.241 -0.106 916 HB2 GLU 115 HB2 GLU 115 31.078 29.584 0.820 917 HB3 GLU 115 HB3 GLU 115 31.969 29.039 2.235 918 HG2 GLU 115 HG2 GLU 115 32.677 31.398 0.498 919 HG3 GLU 115 HG3 GLU 115 31.924 31.469 2.088 920 H HIS 116 H HIS 116 35.317 28.643 1.169 921 HA HIS 116 HA HIS 116 35.065 26.276 2.860 922 HB2 HIS 116 HB2 HIS 116 35.780 25.604 0.498 923 HB3 HIS 116 HB3 HIS 116 37.280 26.466 0.812 924 HD1 HIS 116 HD1 HIS 116 35.429 23.348 1.631 925 HD2 HIS 116 HD2 HIS 116 39.029 25.181 2.634 926 HE1 HIS 116 HE1 HIS 116 36.807 21.573 2.770 927 HE2 HIS 116 HE2 HIS 116 38.956 22.722 3.437 928 H HIS 117 H HIS 117 35.908 29.361 2.545 929 HA HIS 117 HA HIS 117 38.507 29.269 3.852 930 HB2 HIS 117 HB2 HIS 117 36.823 31.591 2.886 931 HB3 HIS 117 HB3 HIS 117 38.396 31.768 3.655 932 HD1 HIS 117 HD1 HIS 117 40.425 31.567 2.164 933 HD2 HIS 117 HD2 HIS 117 36.920 30.291 0.320 934 HE1 HIS 117 HE1 HIS 117 41.022 31.186 -0.252 935 HE2 HIS 117 HE2 HIS 117 38.871 30.487 -1.365 936 H HIS 118 H HIS 118 38.589 31.306 5.518 937 HA HIS 118 HA HIS 118 36.336 31.111 7.374 938 HB2 HIS 118 HB2 HIS 118 38.004 30.899 9.285 939 HB3 HIS 118 HB3 HIS 118 37.752 29.457 8.311 940 HD1 HIS 118 HD1 HIS 118 40.332 31.935 9.306 941 HD2 HIS 118 HD2 HIS 118 39.959 28.724 6.684 942 HE1 HIS 118 HE1 HIS 118 42.677 31.375 8.573 943 HE2 HIS 118 HE2 HIS 118 42.400 29.560 6.849 944 H HIS 119 H HIS 119 35.681 33.138 7.494 945 HA HIS 119 HA HIS 119 37.473 35.335 7.048 946 HB2 HIS 119 HB2 HIS 119 34.911 35.119 6.489 947 HB3 HIS 119 HB3 HIS 119 34.704 35.696 8.140 948 HD1 HIS 119 HD1 HIS 119 34.120 38.112 7.985 949 HD2 HIS 119 HD2 HIS 119 37.120 37.048 5.303 950 HE1 HIS 119 HE1 HIS 119 34.817 40.249 6.858 951 HE2 HIS 119 HE2 HIS 119 36.470 39.546 5.093 952 H HIS 120 H HIS 120 38.583 36.446 8.513 953 HA HIS 120 HA HIS 120 38.604 35.512 11.231 954 HB2 HIS 120 HB2 HIS 120 40.651 36.127 9.934 955 HB3 HIS 120 HB3 HIS 120 40.147 37.811 10.004 956 HD1 HIS 120 HD1 HIS 120 41.041 39.114 11.905 957 HD2 HIS 120 HD2 HIS 120 41.095 35.021 12.659 958 HE1 HIS 120 HE1 HIS 120 42.234 38.842 14.106 959 HE2 HIS 120 HE2 HIS 120 42.393 36.355 14.459 960 H HIS 121 H HIS 121 36.164 36.376 11.136 961 HA HIS 121 HA HIS 121 35.967 38.208 13.226 962 HB2 HIS 121 HB2 HIS 121 36.576 39.842 11.386 963 HB3 HIS 121 HB3 HIS 121 35.048 39.430 10.616 964 HD1 HIS 121 HD1 HIS 121 34.813 39.578 14.282 965 HD2 HIS 121 HD2 HIS 121 34.415 42.212 11.084 966 HE1 HIS 121 HE1 HIS 121 33.646 41.601 15.207 967 HE2 HIS 121 HE2 HIS 121 33.220 43.072 13.207
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