NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
26314 | 2khv | 16255 | cing | 1-original | 3 | MR format | nomenclature mapping |
Entry H atom name Submitted Coord H atom name Start of MODEL 1 1 H1 MET 1 H1 MET 1 -15.084 2.934 5.955 2 H2 MET 1 H2 MET 1 -16.127 2.129 4.889 3 H3 MET 1 H3 MET 1 -16.160 3.823 4.989 4 HA MET 1 HA MET 1 -15.017 2.999 3.000 5 HB2 MET 1 2HB MET 1 -14.440 5.196 4.001 6 HB3 MET 1 1HB MET 1 -13.195 4.407 4.962 7 HG2 MET 1 2HG MET 1 -12.128 5.401 3.088 8 HG3 MET 1 1HG MET 1 -12.131 3.662 2.835 9 HE1 MET 1 2HE MET 1 -15.108 6.495 0.734 10 HE2 MET 1 3HE MET 1 -13.915 7.044 1.910 11 HE3 MET 1 1HE MET 1 -15.252 6.016 2.425 12 H THR 2 HN THR 2 -13.944 1.333 2.202 13 HA THR 2 HA THR 2 -12.305 -0.284 4.007 14 HB THR 2 HB THR 2 -12.323 -1.969 2.182 15 HG1 THR 2 1HG THR 2 -14.285 -0.382 0.888 16 HG21 THR 2 3HG2 THR 2 -15.048 -0.946 2.985 17 HG22 THR 2 1HG2 THR 2 -14.043 -2.067 3.906 18 HG23 THR 2 2HG2 THR 2 -14.707 -2.552 2.345 19 H PHE 3 HN PHE 3 -10.298 -1.270 2.919 20 HA PHE 3 HA PHE 3 -8.558 0.864 2.249 21 HB2 PHE 3 2HB PHE 3 -7.820 -1.204 3.399 22 HB3 PHE 3 1HB PHE 3 -8.105 -2.111 1.917 23 HD1 PHE 3 1HD PHE 3 -6.111 0.695 3.314 24 HD2 PHE 3 2HD PHE 3 -6.420 -2.308 0.314 25 HE1 PHE 3 1HE PHE 3 -3.819 1.203 2.572 26 HE2 PHE 3 2HE PHE 3 -4.128 -1.809 -0.427 27 HZ PHE 3 HZ PHE 3 -2.825 -0.051 0.701 28 H SER 4 HN SER 4 -10.251 -1.564 0.372 29 HA SER 4 HA SER 4 -9.004 -1.098 -2.110 30 HB2 SER 4 2HB SER 4 -10.489 -3.062 -1.490 31 HB3 SER 4 1HB SER 4 -11.869 -1.983 -1.688 32 HG SER 4 HG SER 4 -10.448 -3.296 -3.561 33 H GLU 5 HN GLU 5 -11.899 0.313 -0.608 34 HA GLU 5 HA GLU 5 -12.640 1.980 -2.755 35 HB2 GLU 5 2HB GLU 5 -13.095 2.198 0.216 36 HB3 GLU 5 1HB GLU 5 -13.813 3.288 -0.950 37 HG2 GLU 5 2HG GLU 5 -15.068 1.512 -1.934 38 HG3 GLU 5 1HG GLU 5 -14.235 0.321 -0.938 39 H CYS 6 HN CYS 6 -10.699 2.592 0.148 40 HA CYS 6 HA CYS 6 -10.340 5.352 -0.325 41 HB2 CYS 6 2HB CYS 6 -10.024 4.023 1.838 42 HB3 CYS 6 1HB CYS 6 -8.435 3.625 1.227 43 HG CYS 6 HG CYS 6 -8.087 6.601 0.841 44 H ALA 7 HN ALA 7 -8.366 2.527 -1.058 45 HA ALA 7 HA ALA 7 -6.144 3.805 -2.161 46 HB1 ALA 7 1HB ALA 7 -5.740 1.739 -3.391 47 HB2 ALA 7 2HB ALA 7 -7.384 1.202 -3.045 48 HB3 ALA 7 3HB ALA 7 -6.226 1.398 -1.729 49 H ALA 8 HN ALA 8 -9.184 2.821 -3.697 50 HA ALA 8 HA ALA 8 -8.554 3.697 -6.299 51 HB1 ALA 8 1HB ALA 8 -10.388 2.148 -5.801 52 HB2 ALA 8 2HB ALA 8 -10.943 3.536 -6.739 53 HB3 ALA 8 3HB ALA 8 -11.270 3.453 -5.008 54 H LEU 9 HN LEU 9 -9.868 5.362 -3.495 55 HA LEU 9 HA LEU 9 -10.625 7.738 -4.850 56 HB2 LEU 9 2HB LEU 9 -9.837 7.347 -1.962 57 HB3 LEU 9 1HB LEU 9 -10.594 8.785 -2.615 58 HG LEU 9 HG LEU 9 -11.846 6.040 -2.505 59 HD11 LEU 9 1HD1 LEU 9 -12.404 8.548 -0.928 60 HD12 LEU 9 2HD1 LEU 9 -11.657 7.075 -0.313 61 HD13 LEU 9 3HD1 LEU 9 -13.336 7.054 -0.850 62 HD21 LEU 9 3HD2 LEU 9 -13.891 7.204 -3.222 63 HD22 LEU 9 1HD2 LEU 9 -12.620 7.270 -4.445 64 HD23 LEU 9 2HD2 LEU 9 -12.956 8.683 -3.446 65 H TYR 10 HN TYR 10 -7.655 6.742 -3.180 66 HA TYR 10 HA TYR 10 -6.162 9.075 -3.509 67 HB2 TYR 10 2HB TYR 10 -5.264 7.285 -2.181 68 HB3 TYR 10 1HB TYR 10 -5.325 6.167 -3.535 69 HD1 TYR 10 2HD TYR 10 -3.546 9.115 -2.172 70 HD2 TYR 10 1HD TYR 10 -3.553 6.059 -5.129 71 HE1 TYR 10 2HE TYR 10 -1.236 9.703 -2.781 72 HE2 TYR 10 1HE TYR 10 -1.246 6.641 -5.745 73 HH TYR 10 HH TYR 10 0.692 8.797 -3.861 74 H ILE 11 HN ILE 11 -6.571 6.307 -5.628 75 HA ILE 11 HA ILE 11 -4.960 7.129 -7.755 76 HB ILE 11 HB ILE 11 -7.427 5.389 -7.739 77 HG12 ILE 11 2HG1 ILE 11 -4.498 4.627 -7.790 78 HG13 ILE 11 1HG1 ILE 11 -5.470 4.704 -6.322 79 HG21 ILE 11 1HG2 ILE 11 -5.341 5.695 -9.894 80 HG22 ILE 11 2HG2 ILE 11 -7.020 6.223 -9.990 81 HG23 ILE 11 3HG2 ILE 11 -6.639 4.504 -9.880 82 HD11 ILE 11 3HD1 ILE 11 -5.229 2.428 -7.177 83 HD12 ILE 11 1HD1 ILE 11 -6.018 2.915 -8.677 84 HD13 ILE 11 2HD1 ILE 11 -6.910 2.955 -7.156 85 H LYS 12 HN LYS 12 -8.466 7.586 -7.256 86 HA LYS 12 HA LYS 12 -8.965 9.009 -9.627 87 HB2 LYS 12 2HB LYS 12 -10.353 8.951 -6.958 88 HB3 LYS 12 1HB LYS 12 -10.929 9.965 -8.277 89 HG2 LYS 12 2HG LYS 12 -11.238 8.016 -9.682 90 HG3 LYS 12 1HG LYS 12 -10.581 6.976 -8.415 91 HD2 LYS 12 2HD LYS 12 -12.426 7.414 -6.984 92 HD3 LYS 12 1HD LYS 12 -13.006 8.713 -8.029 93 HE2 LYS 12 2HE LYS 12 -12.837 5.816 -8.841 94 HE3 LYS 12 1HE LYS 12 -14.298 6.598 -8.236 95 HZ1 LYS 12 3HZ LYS 12 -14.221 8.126 -10.094 96 HZ2 LYS 12 1HZ LYS 12 -14.249 6.528 -10.659 97 HZ3 LYS 12 2HZ LYS 12 -12.801 7.408 -10.673 98 H ALA 13 HN ALA 13 -7.955 10.149 -6.433 99 HA ALA 13 HA ALA 13 -8.170 12.916 -7.057 100 HB1 ALA 13 1HB ALA 13 -8.210 12.071 -4.767 101 HB2 ALA 13 2HB ALA 13 -6.944 13.279 -4.990 102 HB3 ALA 13 3HB ALA 13 -6.527 11.565 -4.923 103 H HIS 14 HN HIS 14 -6.065 10.643 -8.242 104 HA HIS 14 HA HIS 14 -4.088 12.727 -8.879 105 HB2 HIS 14 2HB HIS 14 -3.554 9.854 -8.106 106 HB3 HIS 14 1HB HIS 14 -2.357 10.871 -8.904 107 HD1 HIS 14 1HD HIS 14 -4.137 10.411 -5.642 108 HD2 HIS 14 2HD HIS 14 -1.174 12.806 -7.300 109 HE1 HIS 14 1HE HIS 14 -3.096 11.642 -3.706 110 HE2 HIS 14 2HE HIS 14 -1.434 13.218 -4.760 111 H ARG 15 HN ARG 15 -6.491 11.119 -10.151 112 HA ARG 15 HA ARG 15 -5.511 9.697 -12.348 113 HB2 ARG 15 2HB ARG 15 -8.081 11.131 -11.775 114 HB3 ARG 15 1HB ARG 15 -7.794 10.447 -13.366 115 HG2 ARG 15 2HG ARG 15 -7.489 8.818 -10.882 116 HG3 ARG 15 1HG ARG 15 -9.050 9.036 -11.668 117 HD2 ARG 15 2HD ARG 15 -6.592 8.005 -13.071 118 HD3 ARG 15 1HD ARG 15 -7.806 6.962 -12.331 119 HE ARG 15 HE ARG 15 -9.329 8.423 -13.947 120 HH11 ARG 15 1HH1 ARG 15 -6.224 6.961 -14.593 121 HH12 ARG 15 2HH1 ARG 15 -6.590 6.597 -16.252 122 HH21 ARG 15 1HH2 ARG 15 -9.830 7.945 -16.124 123 HH22 ARG 15 2HH2 ARG 15 -8.638 7.157 -17.118 124 H SER 16 HN SER 16 -6.195 13.142 -11.955 125 HA SER 16 HA SER 16 -5.872 13.969 -14.588 126 HB2 SER 16 2HB SER 16 -5.005 15.567 -12.178 127 HB3 SER 16 1HB SER 16 -5.698 16.151 -13.688 128 HG SER 16 HG SER 16 -7.597 14.782 -13.012 129 H SER 17 HN SER 17 -3.515 13.274 -12.095 130 HA SER 17 HA SER 17 -1.294 14.345 -13.574 131 HB2 SER 17 2HB SER 17 -1.249 12.567 -11.130 132 HB3 SER 17 1HB SER 17 0.002 13.674 -11.678 133 HG SER 17 HG SER 17 -1.471 15.409 -11.269 134 H TRP 18 HN TRP 18 -3.056 11.463 -13.558 135 HA TRP 18 HA TRP 18 -0.779 9.899 -14.563 136 HB2 TRP 18 2HB TRP 18 -3.297 9.027 -13.155 137 HB3 TRP 18 1HB TRP 18 -2.215 7.904 -13.966 138 HD1 TRP 18 1HD TRP 18 0.323 9.906 -12.696 139 HE1 TRP 18 1HE TRP 18 1.066 9.257 -10.314 140 HE3 TRP 18 3HE TRP 18 -3.739 7.148 -11.324 141 HZ2 TRP 18 2HZ TRP 18 0.055 7.752 -8.143 142 HZ3 TRP 18 3HZ TRP 18 -3.775 6.123 -9.089 143 HH2 TRP 18 2HH TRP 18 -1.920 6.426 -7.529 144 H LYS 19 HN LYS 19 -2.457 11.688 -16.231 145 HA LYS 19 HA LYS 19 -2.965 11.607 -18.402 146 HB2 LYS 19 2HB LYS 19 -2.386 8.682 -18.151 147 HB3 LYS 19 1HB LYS 19 -2.678 9.531 -19.664 148 HG2 LYS 19 2HG LYS 19 -0.520 10.387 -17.771 149 HG3 LYS 19 1HG LYS 19 -0.257 9.128 -18.978 150 HD2 LYS 19 2HD LYS 19 -0.894 10.708 -20.747 151 HD3 LYS 19 1HD LYS 19 -1.126 11.964 -19.528 152 HE2 LYS 19 2HE LYS 19 1.185 11.950 -18.962 153 HE3 LYS 19 1HE LYS 19 1.476 10.502 -19.926 154 HZ1 LYS 19 3HZ LYS 19 2.232 12.500 -21.056 155 HZ2 LYS 19 1HZ LYS 19 0.666 13.151 -21.002 156 HZ3 LYS 19 2HZ LYS 19 0.973 11.758 -21.915 157 H ASN 20 HN ASN 20 -5.909 10.502 -19.375 158 HA ASN 20 HA ASN 20 -5.830 7.919 -18.583 159 HB2 ASN 20 2HB ASN 20 -6.104 9.169 -21.275 160 HB3 ASN 20 1HB ASN 20 -6.215 7.428 -21.042 161 HD21 ASN 20 1HD2 ASN 20 -8.016 6.565 -20.105 162 HD22 ASN 20 2HD2 ASN 20 -9.427 7.492 -19.711 163 H THR 21 HN THR 21 -4.000 7.155 -17.872 164 HA THR 21 HA THR 21 -2.813 5.535 -19.995 165 HB THR 21 HB THR 21 -0.676 5.343 -18.584 166 HG1 THR 21 1HG THR 21 -1.901 7.571 -17.426 167 HG21 THR 21 3HG2 THR 21 -1.186 7.863 -20.156 168 HG22 THR 21 1HG2 THR 21 -0.683 6.303 -20.809 169 HG23 THR 21 2HG2 THR 21 0.401 7.209 -19.753 170 H LYS 22 HN LYS 22 -1.748 3.518 -18.938 171 HA LYS 22 HA LYS 22 -3.817 2.463 -17.200 172 HB2 LYS 22 2HB LYS 22 -1.536 1.134 -18.651 173 HB3 LYS 22 1HB LYS 22 -2.640 0.279 -17.587 174 HG2 LYS 22 2HG LYS 22 -4.436 1.447 -19.169 175 HG3 LYS 22 1HG LYS 22 -3.082 1.374 -20.299 176 HD2 LYS 22 2HD LYS 22 -4.436 -0.618 -20.540 177 HD3 LYS 22 1HD LYS 22 -2.881 -1.055 -19.827 178 HE2 LYS 22 2HE LYS 22 -3.886 -1.091 -17.612 179 HE3 LYS 22 1HE LYS 22 -5.431 -0.587 -18.289 180 HZ1 LYS 22 3HZ LYS 22 -5.605 -2.651 -19.463 181 HZ2 LYS 22 1HZ LYS 22 -5.294 -2.983 -17.832 182 HZ3 LYS 22 2HZ LYS 22 -4.053 -3.127 -18.974 183 H HIS 23 HN HIS 23 -1.256 4.178 -16.454 184 HA HIS 23 HA HIS 23 0.092 2.666 -14.493 185 HB2 HIS 23 2HB HIS 23 -0.345 5.634 -14.798 186 HB3 HIS 23 1HB HIS 23 0.539 4.965 -13.432 187 HD1 HIS 23 1HD HIS 23 2.922 4.138 -13.847 188 HD2 HIS 23 2HD HIS 23 0.975 5.408 -17.303 189 HE1 HIS 23 1HE HIS 23 4.695 4.255 -15.622 190 HE2 HIS 23 2HE HIS 23 3.520 5.087 -17.690 191 H ALA 24 HN ALA 24 -2.797 4.700 -14.334 192 HA ALA 24 HA ALA 24 -3.346 4.390 -11.591 193 HB1 ALA 24 1HB ALA 24 -5.296 4.765 -13.870 194 HB2 ALA 24 2HB ALA 24 -4.457 6.055 -13.009 195 HB3 ALA 24 3HB ALA 24 -5.629 5.046 -12.162 196 H ASP 25 HN ASP 25 -4.121 2.428 -14.410 197 HA ASP 25 HA ASP 25 -5.796 0.545 -13.140 198 HB2 ASP 25 2HB ASP 25 -5.727 0.678 -15.556 199 HB3 ASP 25 1HB ASP 25 -4.017 0.281 -15.570 200 H GLN 26 HN GLN 26 -2.328 0.578 -13.800 201 HA GLN 26 HA GLN 26 -1.678 -1.891 -12.721 202 HB2 GLN 26 2HB GLN 26 -0.122 0.670 -12.971 203 HB3 GLN 26 1HB GLN 26 0.592 -0.812 -12.361 204 HG2 GLN 26 2HG GLN 26 -0.679 -0.477 -15.065 205 HG3 GLN 26 1HG GLN 26 1.051 -0.473 -14.735 206 HE21 GLN 26 1HE2 GLN 26 -1.825 -2.409 -14.967 207 HE22 GLN 26 2HE2 GLN 26 -1.024 -3.946 -14.956 208 H TRP 27 HN TRP 27 -1.895 1.276 -11.102 209 HA TRP 27 HA TRP 27 -1.121 0.407 -8.546 210 HB2 TRP 27 2HB TRP 27 -2.871 2.652 -9.509 211 HB3 TRP 27 1HB TRP 27 -2.703 2.332 -7.788 212 HD1 TRP 27 1HD TRP 27 -0.354 3.054 -10.803 213 HE1 TRP 27 1HE TRP 27 1.613 4.479 -9.954 214 HE3 TRP 27 3HE TRP 27 -1.546 3.184 -5.835 215 HZ2 TRP 27 2HZ TRP 27 2.542 5.512 -7.488 216 HZ3 TRP 27 3HZ TRP 27 -0.069 4.408 -4.300 217 HH2 TRP 27 2HH TRP 27 1.933 5.548 -5.109 218 H THR 28 HN THR 28 -4.354 0.677 -9.982 219 HA THR 28 HA THR 28 -5.815 -0.280 -7.791 220 HB THR 28 HB THR 28 -6.578 -0.654 -10.692 221 HG1 THR 28 1HG THR 28 -6.051 1.513 -10.483 222 HG21 THR 28 3HG2 THR 28 -8.870 -0.354 -9.828 223 HG22 THR 28 1HG2 THR 28 -8.224 -0.247 -8.189 224 HG23 THR 28 2HG2 THR 28 -8.061 -1.745 -9.106 225 H ASN 29 HN ASN 29 -4.526 -1.959 -10.634 226 HA ASN 29 HA ASN 29 -5.751 -4.445 -10.147 227 HB2 ASN 29 2HB ASN 29 -4.647 -3.504 -12.294 228 HB3 ASN 29 1HB ASN 29 -3.148 -4.138 -11.626 229 HD21 ASN 29 1HD2 ASN 29 -4.564 -4.887 -14.036 230 HD22 ASN 29 2HD2 ASN 29 -4.919 -6.577 -13.895 231 H THR 30 HN THR 30 -2.490 -3.251 -9.407 232 HA THR 30 HA THR 30 -1.478 -5.649 -8.357 233 HB THR 30 HB THR 30 -0.680 -2.865 -7.499 234 HG1 THR 30 1HG THR 30 -0.542 -3.019 -9.758 235 HG21 THR 30 3HG2 THR 30 0.831 -5.475 -7.536 236 HG22 THR 30 1HG2 THR 30 0.263 -4.619 -6.104 237 HG23 THR 30 2HG2 THR 30 1.518 -3.907 -7.117 238 H ILE 31 HN ILE 31 -3.021 -2.880 -6.738 239 HA ILE 31 HA ILE 31 -2.772 -3.931 -4.129 240 HB ILE 31 HB ILE 31 -4.708 -1.883 -5.212 241 HG12 ILE 31 2HG1 ILE 31 -2.134 -1.565 -3.649 242 HG13 ILE 31 1HG1 ILE 31 -2.311 -1.282 -5.377 243 HG21 ILE 31 1HG2 ILE 31 -4.057 -2.557 -2.343 244 HG22 ILE 31 2HG2 ILE 31 -5.579 -2.896 -3.167 245 HG23 ILE 31 3HG2 ILE 31 -5.081 -1.227 -2.888 246 HD11 ILE 31 3HD1 ILE 31 -3.873 0.534 -4.917 247 HD12 ILE 31 1HD1 ILE 31 -2.312 0.798 -4.136 248 HD13 ILE 31 2HD1 ILE 31 -3.692 0.250 -3.186 249 H LYS 32 HN LYS 32 -5.417 -4.009 -6.492 250 HA LYS 32 HA LYS 32 -7.328 -5.291 -4.902 251 HB2 LYS 32 2HB LYS 32 -7.697 -4.238 -7.164 252 HB3 LYS 32 1HB LYS 32 -6.967 -5.668 -7.879 253 HG2 LYS 32 2HG LYS 32 -8.739 -7.032 -6.749 254 HG3 LYS 32 1HG LYS 32 -9.515 -5.515 -6.289 255 HD2 LYS 32 2HD LYS 32 -10.637 -6.033 -8.232 256 HD3 LYS 32 1HD LYS 32 -9.355 -4.989 -8.844 257 HE2 LYS 32 2HE LYS 32 -9.217 -8.002 -8.797 258 HE3 LYS 32 1HE LYS 32 -9.740 -7.060 -10.189 259 HZ1 LYS 32 3HZ LYS 32 -7.387 -7.749 -10.276 260 HZ2 LYS 32 1HZ LYS 32 -7.076 -6.804 -8.909 261 HZ3 LYS 32 2HZ LYS 32 -7.584 -6.064 -10.344 262 H THR 33 HN THR 33 -4.623 -6.550 -6.717 263 HA THR 33 HA THR 33 -5.520 -9.286 -6.520 264 HB THR 33 HB THR 33 -2.866 -8.193 -7.485 265 HG1 THR 33 1HG THR 33 -4.186 -7.475 -9.014 266 HG21 THR 33 3HG2 THR 33 -2.741 -10.566 -6.916 267 HG22 THR 33 1HG2 THR 33 -2.688 -10.351 -8.665 268 HG23 THR 33 2HG2 THR 33 -4.175 -10.893 -7.888 269 H TYR 34 HN TYR 34 -2.766 -7.421 -5.195 270 HA TYR 34 HA TYR 34 -1.893 -9.682 -3.644 271 HB2 TYR 34 2HB TYR 34 -0.918 -6.840 -3.871 272 HB3 TYR 34 1HB TYR 34 -0.212 -7.990 -2.740 273 HD1 TYR 34 2HD TYR 34 -0.865 -7.411 -6.359 274 HD2 TYR 34 1HD TYR 34 1.407 -9.527 -3.446 275 HE1 TYR 34 2HE TYR 34 0.606 -8.266 -8.134 276 HE2 TYR 34 1HE TYR 34 2.882 -10.390 -5.213 277 HH TYR 34 HH TYR 34 2.808 -9.175 -8.432 278 H CYS 35 HN CYS 35 -3.320 -6.514 -2.867 279 HA CYS 35 HA CYS 35 -3.375 -7.265 -0.043 280 HB2 CYS 35 2HB CYS 35 -4.063 -4.622 -1.346 281 HB3 CYS 35 1HB CYS 35 -3.882 -4.920 0.380 282 HG CYS 35 HG CYS 35 -1.092 -5.837 -0.271 283 H GLY 36 HN GLY 36 -5.396 -7.224 -2.740 284 HA2 GLY 36 2HA GLY 36 -7.852 -6.345 -1.814 285 HA3 GLY 36 1HA GLY 36 -7.635 -7.545 -3.074 286 HA PRO 37 HA PRO 37 -9.303 -10.783 -0.672 287 HB2 PRO 37 2HB PRO 37 -6.818 -12.375 -0.566 288 HB3 PRO 37 1HB PRO 37 -8.376 -12.763 -1.304 289 HG2 PRO 37 2HG PRO 37 -6.242 -12.156 -2.800 290 HG3 PRO 37 1HG PRO 37 -7.873 -11.641 -3.265 291 HD2 PRO 37 2HD PRO 37 -5.681 -10.057 -1.980 292 HD3 PRO 37 1HD PRO 37 -6.806 -9.585 -3.272 293 H VAL 38 HN VAL 38 -6.634 -9.158 0.659 294 HA VAL 38 HA VAL 38 -6.944 -10.572 3.220 295 HB VAL 38 HB VAL 38 -4.685 -8.733 2.428 296 HG11 VAL 38 1HG1 VAL 38 -5.020 -10.623 4.757 297 HG12 VAL 38 2HG1 VAL 38 -5.027 -8.862 4.827 298 HG13 VAL 38 3HG1 VAL 38 -3.552 -9.720 4.380 299 HG21 VAL 38 3HG2 VAL 38 -3.339 -10.787 2.184 300 HG22 VAL 38 1HG2 VAL 38 -4.646 -10.694 1.002 301 HG23 VAL 38 2HG2 VAL 38 -4.798 -11.750 2.405 302 H ILE 39 HN ILE 39 -6.026 -7.243 2.283 303 HA ILE 39 HA ILE 39 -7.598 -6.313 4.591 304 HB ILE 39 HB ILE 39 -6.183 -4.277 4.525 305 HG12 ILE 39 2HG1 ILE 39 -4.568 -5.827 2.486 306 HG13 ILE 39 1HG1 ILE 39 -5.557 -4.416 2.128 307 HG21 ILE 39 1HG2 ILE 39 -4.184 -5.330 5.460 308 HG22 ILE 39 2HG2 ILE 39 -4.688 -6.879 4.783 309 HG23 ILE 39 3HG2 ILE 39 -5.661 -6.106 6.034 310 HD11 ILE 39 3HD1 ILE 39 -3.113 -4.490 3.882 311 HD12 ILE 39 1HD1 ILE 39 -4.128 -3.073 3.613 312 HD13 ILE 39 2HD1 ILE 39 -3.239 -3.788 2.268 313 H GLY 40 HN GLY 40 -7.866 -6.568 1.355 314 HA2 GLY 40 2HA GLY 40 -8.567 -4.104 0.320 315 HA3 GLY 40 1HA GLY 40 -9.266 -5.629 -0.193 316 HA PRO 41 HA PRO 41 -13.114 -4.483 1.615 317 HB2 PRO 41 2HB PRO 41 -14.079 -6.675 2.821 318 HB3 PRO 41 1HB PRO 41 -13.825 -6.618 1.072 319 HG2 PRO 41 2HG PRO 41 -12.109 -7.843 3.196 320 HG3 PRO 41 1HG PRO 41 -12.555 -8.491 1.607 321 HD2 PRO 41 2HD PRO 41 -10.163 -7.267 2.135 322 HD3 PRO 41 1HD PRO 41 -10.917 -7.310 0.529 323 H LEU 42 HN LEU 42 -10.565 -4.870 3.652 324 HA LEU 42 HA LEU 42 -12.064 -4.512 6.116 325 HB2 LEU 42 2HB LEU 42 -9.091 -4.483 5.575 326 HB3 LEU 42 1HB LEU 42 -9.817 -4.326 7.163 327 HG LEU 42 HG LEU 42 -9.972 -6.755 5.368 328 HD11 LEU 42 1HD1 LEU 42 -8.530 -6.276 7.975 329 HD12 LEU 42 2HD1 LEU 42 -7.784 -6.466 6.389 330 HD13 LEU 42 3HD1 LEU 42 -8.637 -7.819 7.129 331 HD21 LEU 42 3HD2 LEU 42 -11.073 -6.329 8.144 332 HD22 LEU 42 1HD2 LEU 42 -11.104 -7.837 7.232 333 HD23 LEU 42 2HD2 LEU 42 -12.028 -6.446 6.666 334 H SER 43 HN SER 43 -11.765 -2.595 7.446 335 HA SER 43 HA SER 43 -12.128 -0.222 5.964 336 HB2 SER 43 2HB SER 43 -13.087 -0.543 8.210 337 HB3 SER 43 1HB SER 43 -11.466 -0.542 8.903 338 HG SER 43 HG SER 43 -12.998 1.568 7.914 339 H VAL 44 HN VAL 44 -10.769 1.403 5.417 340 HA VAL 44 HA VAL 44 -7.987 0.906 5.297 341 HB VAL 44 HB VAL 44 -9.191 2.320 3.657 342 HG11 VAL 44 1HG1 VAL 44 -9.737 4.640 4.203 343 HG12 VAL 44 2HG1 VAL 44 -9.308 4.342 5.888 344 HG13 VAL 44 3HG1 VAL 44 -10.680 3.501 5.166 345 HG21 VAL 44 3HG2 VAL 44 -6.778 2.494 3.798 346 HG22 VAL 44 1HG2 VAL 44 -6.913 3.697 5.080 347 HG23 VAL 44 2HG2 VAL 44 -7.476 4.076 3.453 348 H GLN 45 HN GLN 45 -10.018 2.232 7.706 349 HA GLN 45 HA GLN 45 -7.888 3.624 9.081 350 HB2 GLN 45 2HB GLN 45 -10.236 4.440 9.136 351 HB3 GLN 45 1HB GLN 45 -10.693 2.992 10.022 352 HG2 GLN 45 2HG GLN 45 -9.423 3.636 11.910 353 HG3 GLN 45 1HG GLN 45 -8.618 4.924 11.014 354 HE21 GLN 45 1HE2 GLN 45 -9.741 6.807 10.549 355 HE22 GLN 45 2HE2 GLN 45 -11.162 7.269 11.409 356 H ASP 46 HN ASP 46 -9.505 0.534 9.165 357 HA ASP 46 HA ASP 46 -8.229 -0.207 11.672 358 HB2 ASP 46 2HB ASP 46 -10.318 -1.474 9.933 359 HB3 ASP 46 1HB ASP 46 -9.464 -2.435 11.136 360 H VAL 47 HN VAL 47 -7.050 0.007 8.702 361 HA VAL 47 HA VAL 47 -5.772 -2.516 8.358 362 HB VAL 47 HB VAL 47 -4.938 0.221 7.358 363 HG11 VAL 47 1HG1 VAL 47 -3.529 -0.986 5.760 364 HG12 VAL 47 2HG1 VAL 47 -3.959 -2.512 6.534 365 HG13 VAL 47 3HG1 VAL 47 -3.030 -1.303 7.423 366 HG21 VAL 47 3HG2 VAL 47 -6.382 -2.041 5.977 367 HG22 VAL 47 1HG2 VAL 47 -5.872 -0.533 5.222 368 HG23 VAL 47 2HG2 VAL 47 -7.101 -0.512 6.486 369 H ASP 48 HN ASP 48 -4.195 -3.374 9.542 370 HA ASP 48 HA ASP 48 -2.669 -1.581 11.316 371 HB2 ASP 48 2HB ASP 48 -4.168 -3.000 12.586 372 HB3 ASP 48 1HB ASP 48 -3.543 -4.436 11.793 373 H THR 49 HN THR 49 -0.576 -2.447 11.998 374 HA THR 49 HA THR 49 1.115 -2.856 9.787 375 HB THR 49 HB THR 49 1.842 -3.503 12.646 376 HG1 THR 49 1HG THR 49 1.293 -1.500 13.073 377 HG21 THR 49 3HG2 THR 49 4.038 -2.644 11.975 378 HG22 THR 49 1HG2 THR 49 3.425 -2.329 10.353 379 HG23 THR 49 2HG2 THR 49 3.539 -3.986 10.946 380 H LYS 50 HN LYS 50 -0.255 -5.038 12.181 381 HA LYS 50 HA LYS 50 1.197 -7.369 11.632 382 HB2 LYS 50 2HB LYS 50 -0.442 -6.967 13.515 383 HB3 LYS 50 1HB LYS 50 -1.734 -7.216 12.353 384 HG2 LYS 50 2HG LYS 50 -0.395 -9.476 11.945 385 HG3 LYS 50 1HG LYS 50 0.094 -9.168 13.612 386 HD2 LYS 50 2HD LYS 50 -2.679 -9.552 12.519 387 HD3 LYS 50 1HD LYS 50 -1.853 -10.490 13.761 388 HE2 LYS 50 2HE LYS 50 -2.698 -7.608 14.045 389 HE3 LYS 50 1HE LYS 50 -3.604 -8.985 14.664 390 HZ1 LYS 50 3HZ LYS 50 -1.698 -9.541 16.064 391 HZ2 LYS 50 1HZ LYS 50 -2.285 -7.985 16.394 392 HZ3 LYS 50 2HZ LYS 50 -0.866 -8.177 15.495 393 H LEU 51 HN LEU 51 -1.758 -6.086 10.210 394 HA LEU 51 HA LEU 51 -2.367 -8.276 8.559 395 HB2 LEU 51 2HB LEU 51 -3.081 -5.358 8.238 396 HB3 LEU 51 1HB LEU 51 -3.853 -6.686 7.406 397 HG LEU 51 HG LEU 51 -3.932 -6.150 10.366 398 HD11 LEU 51 1HD1 LEU 51 -5.336 -4.660 9.029 399 HD12 LEU 51 2HD1 LEU 51 -6.303 -5.765 10.002 400 HD13 LEU 51 3HD1 LEU 51 -6.098 -6.059 8.275 401 HD21 LEU 51 3HD2 LEU 51 -5.474 -8.045 10.491 402 HD22 LEU 51 1HD2 LEU 51 -3.879 -8.549 9.933 403 HD23 LEU 51 2HD2 LEU 51 -5.203 -8.379 8.782 404 H ILE 52 HN ILE 52 -0.520 -5.316 8.007 405 HA ILE 52 HA ILE 52 -0.127 -5.718 5.233 406 HB ILE 52 HB ILE 52 1.554 -4.101 7.159 407 HG12 ILE 52 2HG1 ILE 52 -0.791 -3.266 5.434 408 HG13 ILE 52 1HG1 ILE 52 -0.836 -3.467 7.182 409 HG21 ILE 52 1HG2 ILE 52 2.197 -2.823 5.153 410 HG22 ILE 52 2HG2 ILE 52 1.299 -3.968 4.155 411 HG23 ILE 52 3HG2 ILE 52 2.710 -4.509 5.067 412 HD11 ILE 52 3HD1 ILE 52 0.729 -1.644 7.456 413 HD12 ILE 52 1HD1 ILE 52 -0.664 -1.123 6.507 414 HD13 ILE 52 2HD1 ILE 52 0.866 -1.476 5.706 415 H MET 53 HN MET 53 1.825 -6.495 8.097 416 HA MET 53 HA MET 53 4.067 -7.461 6.680 417 HB2 MET 53 2HB MET 53 3.092 -7.997 9.484 418 HB3 MET 53 1HB MET 53 4.599 -8.649 8.856 419 HG2 MET 53 2HG MET 53 5.350 -6.331 8.406 420 HG3 MET 53 1HG MET 53 3.883 -5.746 9.182 421 HE1 MET 53 3HE MET 53 3.538 -7.847 11.555 422 HE2 MET 53 1HE MET 53 3.328 -6.105 11.750 423 HE3 MET 53 2HE MET 53 4.365 -6.999 12.861 424 H LYS 54 HN LYS 54 1.092 -8.991 7.748 425 HA LYS 54 HA LYS 54 1.784 -11.662 7.251 426 HB2 LYS 54 2HB LYS 54 -0.881 -10.258 7.130 427 HB3 LYS 54 1HB LYS 54 -0.708 -11.992 6.897 428 HG2 LYS 54 2HG LYS 54 0.295 -12.159 9.149 429 HG3 LYS 54 1HG LYS 54 0.004 -10.432 9.375 430 HD2 LYS 54 2HD LYS 54 -1.774 -11.695 10.424 431 HD3 LYS 54 1HD LYS 54 -2.410 -10.831 9.022 432 HE2 LYS 54 2HE LYS 54 -2.257 -12.883 7.692 433 HE3 LYS 54 1HE LYS 54 -1.619 -13.744 9.093 434 HZ1 LYS 54 3HZ LYS 54 -3.703 -13.271 10.255 435 HZ2 LYS 54 1HZ LYS 54 -3.967 -14.169 8.839 436 HZ3 LYS 54 2HZ LYS 54 -4.314 -12.507 8.872 437 H VAL 55 HN VAL 55 0.656 -9.123 5.097 438 HA VAL 55 HA VAL 55 0.294 -10.883 2.854 439 HB VAL 55 HB VAL 55 0.560 -7.872 2.834 440 HG11 VAL 55 1HG1 VAL 55 -0.685 -9.765 0.846 441 HG12 VAL 55 2HG1 VAL 55 0.843 -8.909 0.644 442 HG13 VAL 55 3HG1 VAL 55 -0.669 -8.004 0.728 443 HG21 VAL 55 3HG2 VAL 55 -1.230 -8.559 4.340 444 HG22 VAL 55 1HG2 VAL 55 -1.925 -9.563 3.069 445 HG23 VAL 55 2HG2 VAL 55 -1.884 -7.811 2.883 446 H LEU 56 HN LEU 56 2.749 -8.501 3.819 447 HA LEU 56 HA LEU 56 4.182 -8.652 1.380 448 HB2 LEU 56 2HB LEU 56 5.000 -7.600 4.080 449 HB3 LEU 56 1HB LEU 56 5.956 -7.413 2.623 450 HG LEU 56 HG LEU 56 3.203 -6.269 3.102 451 HD11 LEU 56 1HD1 LEU 56 4.352 -4.114 3.018 452 HD12 LEU 56 2HD1 LEU 56 5.900 -4.944 2.873 453 HD13 LEU 56 3HD1 LEU 56 4.944 -5.116 4.342 454 HD21 LEU 56 3HD2 LEU 56 3.460 -6.876 0.769 455 HD22 LEU 56 1HD2 LEU 56 5.018 -6.048 0.701 456 HD23 LEU 56 2HD2 LEU 56 3.537 -5.123 0.954 457 H ASP 57 HN ASP 57 4.530 -10.393 4.432 458 HA ASP 57 HA ASP 57 7.196 -11.172 4.160 459 HB2 ASP 57 2HB ASP 57 5.655 -11.421 6.192 460 HB3 ASP 57 1HB ASP 57 5.148 -12.932 5.478 461 HA PRO 58 HA PRO 58 5.540 -15.266 1.854 462 HB2 PRO 58 2HB PRO 58 3.177 -13.939 0.639 463 HB3 PRO 58 1HB PRO 58 3.382 -15.611 1.163 464 HG2 PRO 58 2HG PRO 58 1.940 -13.819 2.566 465 HG3 PRO 58 1HG PRO 58 2.842 -15.133 3.339 466 HD2 PRO 58 2HD PRO 58 3.421 -12.233 3.282 467 HD3 PRO 58 1HD PRO 58 3.893 -13.470 4.453 468 H ILE 59 HN ILE 59 4.933 -11.953 0.758 469 HA ILE 59 HA ILE 59 5.445 -12.457 -1.984 470 HB ILE 59 HB ILE 59 5.586 -9.807 -0.537 471 HG12 ILE 59 2HG1 ILE 59 3.255 -11.108 -1.971 472 HG13 ILE 59 1HG1 ILE 59 3.414 -10.957 -0.222 473 HG21 ILE 59 1HG2 ILE 59 5.124 -8.841 -2.740 474 HG22 ILE 59 2HG2 ILE 59 5.180 -10.451 -3.458 475 HG23 ILE 59 3HG2 ILE 59 6.632 -9.754 -2.738 476 HD11 ILE 59 3HD1 ILE 59 3.370 -8.519 -0.441 477 HD12 ILE 59 1HD1 ILE 59 1.918 -9.270 -1.103 478 HD13 ILE 59 2HD1 ILE 59 3.181 -8.684 -2.187 479 H TRP 60 HN TRP 60 7.514 -11.507 0.715 480 HA TRP 60 HA TRP 60 9.748 -10.637 -0.714 481 HB2 TRP 60 2HB TRP 60 9.539 -12.054 1.941 482 HB3 TRP 60 1HB TRP 60 11.067 -11.469 1.297 483 HD1 TRP 60 1HD TRP 60 8.243 -10.400 3.408 484 HE1 TRP 60 1HE TRP 60 8.346 -7.866 3.850 485 HE3 TRP 60 3HE TRP 60 11.736 -9.096 -0.099 486 HZ2 TRP 60 2HZ TRP 60 9.723 -5.614 2.848 487 HZ3 TRP 60 3HZ TRP 60 12.391 -6.732 -0.290 488 HH2 TRP 60 2HH TRP 60 11.404 -5.029 1.154 489 H GLU 61 HN GLU 61 8.634 -13.888 -0.034 490 HA GLU 61 HA GLU 61 10.985 -15.257 -0.736 491 HB2 GLU 61 2HB GLU 61 8.081 -16.040 -0.605 492 HB3 GLU 61 1HB GLU 61 9.353 -17.176 -0.991 493 HG2 GLU 61 2HG GLU 61 9.235 -15.567 1.539 494 HG3 GLU 61 1HG GLU 61 8.643 -17.221 1.378 495 H GLN 62 HN GLN 62 8.096 -14.352 -2.580 496 HA GLN 62 HA GLN 62 9.153 -15.653 -4.958 497 HB2 GLN 62 2HB GLN 62 6.911 -14.859 -5.926 498 HB3 GLN 62 1HB GLN 62 6.885 -16.124 -4.716 499 HG2 GLN 62 2HG GLN 62 6.298 -14.488 -3.004 500 HG3 GLN 62 1HG GLN 62 6.331 -13.211 -4.219 501 HE21 GLN 62 1HE2 GLN 62 4.150 -14.185 -2.496 502 HE22 GLN 62 2HE2 GLN 62 2.861 -14.621 -3.568 503 H LYS 63 HN LYS 63 8.020 -12.417 -4.018 504 HA LYS 63 HA LYS 63 9.600 -11.296 -6.232 505 HB2 LYS 63 2HB LYS 63 6.763 -10.500 -5.539 506 HB3 LYS 63 1HB LYS 63 7.762 -9.770 -6.784 507 HG2 LYS 63 2HG LYS 63 6.930 -12.657 -6.810 508 HG3 LYS 63 1HG LYS 63 6.016 -11.375 -7.594 509 HD2 LYS 63 2HD LYS 63 8.223 -10.813 -8.786 510 HD3 LYS 63 1HD LYS 63 8.756 -12.405 -8.244 511 HE2 LYS 63 2HE LYS 63 6.377 -11.779 -9.991 512 HE3 LYS 63 1HE LYS 63 7.876 -12.558 -10.489 513 HZ1 LYS 63 3HZ LYS 63 6.171 -14.198 -10.203 514 HZ2 LYS 63 1HZ LYS 63 5.838 -13.666 -8.627 515 HZ3 LYS 63 2HZ LYS 63 7.323 -14.410 -8.979 516 HA PRO 64 HA PRO 64 10.405 -9.119 -2.195 517 HB2 PRO 64 2HB PRO 64 13.057 -8.671 -2.731 518 HB3 PRO 64 1HB PRO 64 12.448 -10.122 -1.928 519 HG2 PRO 64 2HG PRO 64 13.211 -9.720 -4.790 520 HG3 PRO 64 1HG PRO 64 13.521 -11.109 -3.732 521 HD2 PRO 64 2HD PRO 64 11.554 -11.114 -5.577 522 HD3 PRO 64 1HD PRO 64 11.400 -11.969 -4.030 523 H GLU 65 HN GLU 65 11.387 -8.369 -5.490 524 HA GLU 65 HA GLU 65 11.819 -5.626 -5.190 525 HB2 GLU 65 2HB GLU 65 10.830 -7.113 -7.617 526 HB3 GLU 65 1HB GLU 65 11.656 -5.575 -7.594 527 HG2 GLU 65 2HG GLU 65 13.672 -6.630 -6.759 528 HG3 GLU 65 1HG GLU 65 12.847 -8.188 -6.725 529 H THR 66 HN THR 66 8.958 -7.519 -6.033 530 HA THR 66 HA THR 66 7.257 -5.307 -6.502 531 HB THR 66 HB THR 66 6.423 -8.102 -5.712 532 HG1 THR 66 1HG THR 66 7.475 -7.045 -8.103 533 HG21 THR 66 3HG2 THR 66 4.593 -6.502 -5.719 534 HG22 THR 66 1HG2 THR 66 4.442 -7.593 -7.096 535 HG23 THR 66 2HG2 THR 66 5.047 -5.952 -7.333 536 H ALA 67 HN ALA 67 7.946 -7.307 -3.678 537 HA ALA 67 HA ALA 67 5.995 -6.269 -1.954 538 HB1 ALA 67 1HB ALA 67 8.753 -7.284 -1.262 539 HB2 ALA 67 2HB ALA 67 7.295 -8.263 -1.420 540 HB3 ALA 67 3HB ALA 67 7.417 -7.069 -0.129 541 H SER 68 HN SER 68 9.295 -5.197 -2.634 542 HA SER 68 HA SER 68 9.355 -3.061 -0.809 543 HB2 SER 68 2HB SER 68 10.828 -3.297 -3.445 544 HB3 SER 68 1HB SER 68 11.285 -2.282 -2.077 545 HG SER 68 HG SER 68 11.251 -5.123 -2.201 546 H ARG 69 HN ARG 69 8.460 -3.221 -4.232 547 HA ARG 69 HA ARG 69 7.961 -0.472 -4.575 548 HB2 ARG 69 2HB ARG 69 7.139 -2.940 -6.072 549 HB3 ARG 69 1HB ARG 69 6.657 -1.340 -6.582 550 HG2 ARG 69 2HG ARG 69 9.512 -2.033 -6.134 551 HG3 ARG 69 1HG ARG 69 8.710 -2.341 -7.665 552 HD2 ARG 69 2HD ARG 69 8.133 0.035 -7.833 553 HD3 ARG 69 1HD ARG 69 8.957 0.336 -6.303 554 HE ARG 69 HE ARG 69 10.954 0.331 -7.422 555 HH11 ARG 69 1HH1 ARG 69 8.559 -1.226 -9.455 556 HH12 ARG 69 2HH1 ARG 69 9.602 -1.307 -10.842 557 HH21 ARG 69 1HH2 ARG 69 12.307 0.244 -9.237 558 HH22 ARG 69 2HH2 ARG 69 11.734 -0.473 -10.712 559 H LEU 70 HN LEU 70 5.870 -3.191 -3.705 560 HA LEU 70 HA LEU 70 3.429 -1.757 -3.864 561 HB2 LEU 70 2HB LEU 70 3.561 -4.215 -3.931 562 HB3 LEU 70 1HB LEU 70 4.099 -4.230 -2.262 563 HG LEU 70 HG LEU 70 1.923 -3.258 -1.581 564 HD11 LEU 70 1HD1 LEU 70 0.080 -3.212 -3.183 565 HD12 LEU 70 2HD1 LEU 70 1.190 -3.665 -4.478 566 HD13 LEU 70 3HD1 LEU 70 1.373 -2.111 -3.664 567 HD21 LEU 70 3HD2 LEU 70 1.681 -5.787 -3.203 568 HD22 LEU 70 1HD2 LEU 70 0.632 -5.282 -1.878 569 HD23 LEU 70 2HD2 LEU 70 2.319 -5.686 -1.562 570 H ARG 71 HN ARG 71 5.740 -2.341 -1.270 571 HA ARG 71 HA ARG 71 4.225 -1.388 0.885 572 HB2 ARG 71 2HB ARG 71 6.552 -2.566 0.818 573 HB3 ARG 71 1HB ARG 71 7.192 -0.938 0.675 574 HG2 ARG 71 2HG ARG 71 5.381 -1.782 2.920 575 HG3 ARG 71 1HG ARG 71 7.136 -1.925 2.993 576 HD2 ARG 71 2HD ARG 71 5.616 0.639 2.531 577 HD3 ARG 71 1HD ARG 71 6.280 0.122 4.079 578 HE ARG 71 HE ARG 71 8.171 0.312 1.887 579 HH11 ARG 71 1HH1 ARG 71 6.723 1.861 4.670 580 HH12 ARG 71 2HH1 ARG 71 8.028 2.985 4.881 581 HH21 ARG 71 1HH2 ARG 71 9.884 1.813 2.151 582 HH22 ARG 71 2HH2 ARG 71 9.811 2.966 3.440 583 H GLY 72 HN GLY 72 6.297 0.280 -1.437 584 HA2 GLY 72 2HA GLY 72 6.134 2.854 -0.295 585 HA3 GLY 72 1HA GLY 72 6.504 2.505 -1.978 586 H ARG 73 HN ARG 73 4.085 1.193 -2.645 587 HA ARG 73 HA ARG 73 2.436 3.404 -3.254 588 HB2 ARG 73 2HB ARG 73 2.009 0.429 -3.453 589 HB3 ARG 73 1HB ARG 73 0.751 1.576 -3.896 590 HG2 ARG 73 2HG ARG 73 2.296 2.580 -5.541 591 HG3 ARG 73 1HG ARG 73 3.488 1.341 -5.135 592 HD2 ARG 73 2HD ARG 73 2.030 -0.396 -5.913 593 HD3 ARG 73 1HD ARG 73 0.707 0.746 -6.137 594 HE ARG 73 HE ARG 73 2.575 1.746 -7.776 595 HH11 ARG 73 1HH1 ARG 73 1.359 -1.501 -7.357 596 HH12 ARG 73 2HH1 ARG 73 1.607 -1.959 -9.012 597 HH21 ARG 73 1HH2 ARG 73 2.905 1.148 -9.983 598 HH22 ARG 73 2HH2 ARG 73 2.513 -0.468 -10.497 599 H ILE 74 HN ILE 74 2.160 0.823 -0.842 600 HA ILE 74 HA ILE 74 -0.357 1.528 0.180 601 HB ILE 74 HB ILE 74 1.949 0.268 1.679 602 HG12 ILE 74 2HG1 ILE 74 -0.342 -1.054 0.209 603 HG13 ILE 74 1HG1 ILE 74 1.302 -0.931 -0.408 604 HG21 ILE 74 1HG2 ILE 74 0.212 -0.661 3.138 605 HG22 ILE 74 2HG2 ILE 74 -1.015 0.232 2.242 606 HG23 ILE 74 3HG2 ILE 74 0.206 1.105 3.166 607 HD11 ILE 74 3HD1 ILE 74 2.100 -2.266 1.479 608 HD12 ILE 74 1HD1 ILE 74 0.891 -3.122 0.524 609 HD13 ILE 74 2HD1 ILE 74 0.444 -2.403 2.072 610 H GLU 75 HN GLU 75 2.899 2.610 1.043 611 HA GLU 75 HA GLU 75 2.271 4.183 3.276 612 HB2 GLU 75 2HB GLU 75 4.540 3.602 1.759 613 HB3 GLU 75 1HB GLU 75 4.358 5.343 1.617 614 HG2 GLU 75 2HG GLU 75 4.549 3.783 4.182 615 HG3 GLU 75 1HG GLU 75 5.829 4.747 3.450 616 H SER 76 HN SER 76 2.472 5.048 -0.164 617 HA SER 76 HA SER 76 1.901 7.773 0.126 618 HB2 SER 76 2HB SER 76 1.416 5.954 -2.223 619 HB3 SER 76 1HB SER 76 1.416 7.713 -2.290 620 HG SER 76 HG SER 76 3.487 7.581 -2.522 621 H VAL 77 HN VAL 77 -0.230 4.998 -0.372 622 HA VAL 77 HA VAL 77 -2.585 6.540 -0.790 623 HB VAL 77 HB VAL 77 -2.298 3.661 0.086 624 HG11 VAL 77 1HG1 VAL 77 -4.623 3.386 -0.620 625 HG12 VAL 77 2HG1 VAL 77 -4.729 5.112 -0.972 626 HG13 VAL 77 3HG1 VAL 77 -4.496 4.561 0.688 627 HG21 VAL 77 3HG2 VAL 77 -2.845 4.848 -2.632 628 HG22 VAL 77 1HG2 VAL 77 -2.764 3.132 -2.243 629 HG23 VAL 77 2HG2 VAL 77 -1.321 4.136 -2.105 630 H LEU 78 HN LEU 78 -1.267 4.854 2.054 631 HA LEU 78 HA LEU 78 -3.438 5.503 3.761 632 HB2 LEU 78 2HB LEU 78 -0.602 4.688 4.370 633 HB3 LEU 78 1HB LEU 78 -1.841 4.885 5.595 634 HG LEU 78 HG LEU 78 -1.918 2.900 3.324 635 HD11 LEU 78 1HD1 LEU 78 -1.554 2.463 6.277 636 HD12 LEU 78 2HD1 LEU 78 -0.270 2.378 5.074 637 HD13 LEU 78 3HD1 LEU 78 -1.600 1.219 5.027 638 HD21 LEU 78 3HD2 LEU 78 -3.897 2.010 4.455 639 HD22 LEU 78 1HD2 LEU 78 -4.150 3.673 3.926 640 HD23 LEU 78 2HD2 LEU 78 -3.821 3.327 5.625 641 H ASP 79 HN ASP 79 -0.399 7.117 3.017 642 HA ASP 79 HA ASP 79 -0.492 9.105 5.009 643 HB2 ASP 79 2HB ASP 79 1.423 8.552 3.380 644 HB3 ASP 79 1HB ASP 79 0.561 9.542 2.210 645 H TRP 80 HN TRP 80 -1.731 9.012 1.704 646 HA TRP 80 HA TRP 80 -2.950 11.538 1.635 647 HB2 TRP 80 2HB TRP 80 -2.533 10.179 -0.363 648 HB3 TRP 80 1HB TRP 80 -3.684 8.973 0.195 649 HD1 TRP 80 1HD TRP 80 -3.534 12.500 -1.309 650 HE1 TRP 80 1HE TRP 80 -5.840 13.059 -2.315 651 HE3 TRP 80 3HE TRP 80 -6.144 8.440 0.373 652 HZ2 TRP 80 2HZ TRP 80 -8.425 11.914 -2.377 653 HZ3 TRP 80 3HZ TRP 80 -8.527 8.251 -0.198 654 HH2 TRP 80 2HH TRP 80 -9.642 9.951 -1.544 655 H ALA 81 HN ALA 81 -4.198 8.351 2.563 656 HA ALA 81 HA ALA 81 -6.862 9.070 3.029 657 HB1 ALA 81 1HB ALA 81 -7.000 7.036 4.368 658 HB2 ALA 81 2HB ALA 81 -5.240 6.934 4.401 659 HB3 ALA 81 3HB ALA 81 -6.104 6.757 2.875 660 H THR 82 HN THR 82 -4.035 9.237 5.123 661 HA THR 82 HA THR 82 -5.404 9.932 7.496 662 HB THR 82 HB THR 82 -2.561 10.577 6.693 663 HG1 THR 82 1HG THR 82 -2.598 8.411 6.752 664 HG21 THR 82 3HG2 THR 82 -3.867 10.482 9.414 665 HG22 THR 82 1HG2 THR 82 -3.303 11.931 8.585 666 HG23 THR 82 2HG2 THR 82 -2.143 10.713 9.116 667 H VAL 83 HN VAL 83 -3.933 11.882 4.919 668 HA VAL 83 HA VAL 83 -4.442 14.411 6.085 669 HB VAL 83 HB VAL 83 -4.177 13.708 3.156 670 HG11 VAL 83 1HG1 VAL 83 -3.531 16.051 2.853 671 HG12 VAL 83 2HG1 VAL 83 -3.857 16.359 4.560 672 HG13 VAL 83 3HG1 VAL 83 -5.173 15.902 3.479 673 HG21 VAL 83 3HG2 VAL 83 -2.083 14.558 5.157 674 HG22 VAL 83 1HG2 VAL 83 -1.821 14.372 3.422 675 HG23 VAL 83 2HG2 VAL 83 -2.236 12.970 4.408 676 H ARG 84 HN ARG 84 -6.254 12.400 3.816 677 HA ARG 84 HA ARG 84 -8.366 14.244 3.384 678 HB2 ARG 84 2HB ARG 84 -8.080 11.279 2.958 679 HB3 ARG 84 1HB ARG 84 -9.563 12.136 2.571 680 HG2 ARG 84 2HG ARG 84 -6.866 12.823 1.429 681 HG3 ARG 84 1HG ARG 84 -8.052 11.782 0.637 682 HD2 ARG 84 2HD ARG 84 -8.410 14.682 1.382 683 HD3 ARG 84 1HD ARG 84 -8.203 14.028 -0.243 684 HE ARG 84 HE ARG 84 -10.524 13.313 1.434 685 HH11 ARG 84 1HH1 ARG 84 -9.207 14.542 -1.571 686 HH12 ARG 84 2HH1 ARG 84 -10.739 14.513 -2.392 687 HH21 ARG 84 1HH2 ARG 84 -12.523 13.323 0.379 688 HH22 ARG 84 2HH2 ARG 84 -12.632 13.856 -1.273 689 H GLY 85 HN GLY 85 -7.716 11.927 5.873 690 HA2 GLY 85 2HA GLY 85 -8.762 11.961 7.982 691 HA3 GLY 85 1HA GLY 85 -10.113 12.834 7.271 692 H TYR 86 HN TYR 86 -8.520 9.712 6.599 693 HA TYR 86 HA TYR 86 -11.156 8.435 6.943 694 HB2 TYR 86 2HB TYR 86 -8.986 7.811 4.940 695 HB3 TYR 86 1HB TYR 86 -10.296 6.695 5.303 696 HD1 TYR 86 2HD TYR 86 -12.711 7.715 5.098 697 HD2 TYR 86 1HD TYR 86 -9.259 9.317 3.200 698 HE1 TYR 86 2HE TYR 86 -14.144 8.842 3.452 699 HE2 TYR 86 1HE TYR 86 -10.686 10.450 1.550 700 HH TYR 86 HH TYR 86 -14.028 10.797 1.952 701 H ARG 87 HN ARG 87 -8.475 8.826 8.597 702 HA ARG 87 HA ARG 87 -8.671 6.386 10.012 703 HB2 ARG 87 2HB ARG 87 -6.387 5.505 9.595 704 HB3 ARG 87 1HB ARG 87 -7.461 5.373 8.211 705 HG2 ARG 87 2HG ARG 87 -6.369 7.177 7.101 706 HG3 ARG 87 1HG ARG 87 -5.439 7.573 8.549 707 HD2 ARG 87 2HD ARG 87 -5.240 4.923 7.130 708 HD3 ARG 87 1HD ARG 87 -4.191 6.295 6.767 709 HE ARG 87 HE ARG 87 -3.250 6.116 8.940 710 HH11 ARG 87 1HH1 ARG 87 -5.440 3.490 8.147 711 HH12 ARG 87 2HH1 ARG 87 -4.837 2.447 9.392 712 HH21 ARG 87 1HH2 ARG 87 -2.435 4.733 10.561 713 HH22 ARG 87 2HH2 ARG 87 -3.126 3.149 10.766 714 H GLU 88 HN GLU 88 -6.761 9.195 9.258 715 HA GLU 88 HA GLU 88 -5.488 10.622 10.452 716 HB2 GLU 88 2HB GLU 88 -7.309 9.664 12.655 717 HB3 GLU 88 1HB GLU 88 -6.153 10.972 12.859 718 HG2 GLU 88 2HG GLU 88 -8.248 11.975 12.429 719 HG3 GLU 88 1HG GLU 88 -7.297 12.149 10.957 720 H GLY 89 HN GLY 89 -4.136 10.835 12.605 721 HA2 GLY 89 2HA GLY 89 -2.511 9.958 14.018 722 HA3 GLY 89 1HA GLY 89 -2.993 8.340 13.527 723 H ASP 90 HN ASP 90 -1.300 7.328 12.702 724 HA ASP 90 HA ASP 90 0.106 8.607 10.476 725 HB2 ASP 90 2HB ASP 90 1.448 8.669 12.695 726 HB3 ASP 90 1HB ASP 90 1.630 6.932 12.471 727 H ASN 91 HN ASN 91 1.705 6.524 9.673 728 HA ASN 91 HA ASN 91 -0.405 4.670 8.883 729 HB2 ASN 91 2HB ASN 91 2.213 5.422 7.592 730 HB3 ASN 91 1HB ASN 91 1.123 4.199 6.979 731 HD21 ASN 91 1HD2 ASN 91 1.980 6.528 5.618 732 HD22 ASN 91 2HD2 ASN 91 0.572 7.501 5.324 733 HA PRO 92 HA PRO 92 1.785 1.325 10.854 734 HB2 PRO 92 2HB PRO 92 0.448 -0.728 9.734 735 HB3 PRO 92 1HB PRO 92 -0.283 0.308 10.965 736 HG2 PRO 92 2HG PRO 92 -0.644 0.337 7.999 737 HG3 PRO 92 1HG PRO 92 -1.848 0.568 9.280 738 HD2 PRO 92 2HD PRO 92 -0.687 2.619 7.864 739 HD3 PRO 92 1HD PRO 92 -1.369 2.792 9.492 740 H ALA 93 HN ALA 93 1.692 1.988 7.516 741 HA ALA 93 HA ALA 93 3.613 -0.118 6.846 742 HB1 ALA 93 1HB ALA 93 2.189 1.824 5.024 743 HB2 ALA 93 2HB ALA 93 1.664 0.177 5.365 744 HB3 ALA 93 3HB ALA 93 3.189 0.460 4.523 745 H ARG 94 HN ARG 94 3.825 2.732 8.228 746 HA ARG 94 HA ARG 94 5.600 4.215 6.599 747 HB2 ARG 94 2HB ARG 94 4.257 5.042 8.619 748 HB3 ARG 94 1HB ARG 94 5.511 4.314 9.613 749 HG2 ARG 94 2HG ARG 94 6.188 6.510 9.480 750 HG3 ARG 94 1HG ARG 94 7.136 5.744 8.204 751 HD2 ARG 94 2HD ARG 94 6.315 7.681 7.199 752 HD3 ARG 94 1HD ARG 94 5.203 6.425 6.650 753 HE ARG 94 HE ARG 94 4.270 7.657 9.046 754 HH11 ARG 94 1HH1 ARG 94 4.367 8.001 5.555 755 HH12 ARG 94 2HH1 ARG 94 3.132 9.232 5.520 756 HH21 ARG 94 1HH2 ARG 94 2.649 9.266 9.001 757 HH22 ARG 94 2HH2 ARG 94 2.143 9.927 7.470 758 H TRP 95 HN TRP 95 6.157 2.164 9.452 759 HA TRP 95 HA TRP 95 7.902 0.911 10.160 760 HB2 TRP 95 2HB TRP 95 8.282 0.948 7.245 761 HB3 TRP 95 1HB TRP 95 9.731 0.577 8.180 762 HD1 TRP 95 1HD TRP 95 9.322 -1.430 10.098 763 HE1 TRP 95 1HE TRP 95 8.069 -3.664 9.806 764 HE3 TRP 95 3HE TRP 95 6.467 -0.211 6.043 765 HZ2 TRP 95 2HZ TRP 95 6.115 -4.743 8.089 766 HZ3 TRP 95 3HZ TRP 95 4.923 -1.903 5.142 767 HH2 TRP 95 2HH TRP 95 4.753 -4.122 6.149 768 H ARG 96 HN ARG 96 9.319 1.586 11.553 769 HA ARG 96 HA ARG 96 10.688 4.111 11.120 770 HB2 ARG 96 2HB ARG 96 11.255 3.950 13.493 771 HB3 ARG 96 1HB ARG 96 9.533 3.729 13.245 772 HG2 ARG 96 2HG ARG 96 9.892 1.275 13.416 773 HG3 ARG 96 1HG ARG 96 11.579 1.598 13.826 774 HD2 ARG 96 2HD ARG 96 10.816 2.945 15.749 775 HD3 ARG 96 1HD ARG 96 9.149 2.522 15.357 776 HE ARG 96 HE ARG 96 11.046 0.355 15.881 777 HH11 ARG 96 1HH1 ARG 96 8.286 2.253 16.891 778 HH12 ARG 96 2HH1 ARG 96 7.874 1.192 18.207 779 HH21 ARG 96 1HH2 ARG 96 10.498 -1.065 17.603 780 HH22 ARG 96 2HH2 ARG 96 9.105 -0.711 18.591 781 H GLY 97 HN GLY 97 11.344 1.195 10.089 782 HA2 GLY 97 2HA GLY 97 13.866 1.397 9.300 783 HA3 GLY 97 1HA GLY 97 14.104 0.975 10.989 784 H TYR 98 HN TYR 98 12.825 -0.126 7.914 785 HA TYR 98 HA TYR 98 12.426 -2.807 8.972 786 HB2 TYR 98 2HB TYR 98 11.550 -3.303 6.689 787 HB3 TYR 98 1HB TYR 98 10.673 -2.037 7.528 788 HD1 TYR 98 2HD TYR 98 11.017 0.343 6.840 789 HD2 TYR 98 1HD TYR 98 12.625 -2.903 4.617 790 HE1 TYR 98 2HE TYR 98 11.299 1.821 4.900 791 HE2 TYR 98 1HE TYR 98 12.907 -1.434 2.665 792 HH TYR 98 HH TYR 98 12.760 1.903 2.826 793 H LEU 99 HN LEU 99 13.354 -4.669 7.812 794 HA LEU 99 HA LEU 99 15.161 -5.892 7.318 795 HB2 LEU 99 2HB LEU 99 15.884 -3.528 5.602 796 HB3 LEU 99 1HB LEU 99 16.517 -5.146 5.492 797 HG LEU 99 HG LEU 99 13.648 -4.405 4.983 798 HD11 LEU 99 1HD1 LEU 99 14.158 -4.818 2.634 799 HD12 LEU 99 2HD1 LEU 99 15.849 -5.098 3.042 800 HD13 LEU 99 3HD1 LEU 99 15.139 -3.501 3.276 801 HD21 LEU 99 3HD2 LEU 99 13.891 -6.682 5.803 802 HD22 LEU 99 1HD2 LEU 99 15.129 -7.004 4.587 803 HD23 LEU 99 2HD2 LEU 99 13.467 -6.681 4.090 804 H GLU 100 HN GLU 100 15.270 -3.732 9.422 805 HA GLU 100 HA GLU 100 17.876 -2.670 9.566 806 HB2 GLU 100 2HB GLU 100 15.928 -1.740 10.766 807 HB3 GLU 100 1HB GLU 100 15.879 -3.169 11.785 808 HG2 GLU 100 2HG GLU 100 16.919 -1.156 12.822 809 HG3 GLU 100 1HG GLU 100 17.927 -2.603 12.829 810 H HIS 101 HN HIS 101 19.533 -3.187 11.094 811 HA HIS 101 HA HIS 101 20.980 -4.513 12.216 812 HB2 HIS 101 2HB HIS 101 19.041 -5.274 13.546 813 HB3 HIS 101 1HB HIS 101 18.736 -6.540 12.364 814 HD1 HIS 101 1HD HIS 101 19.448 -8.700 13.298 815 HD2 HIS 101 2HD HIS 101 22.029 -5.628 14.383 816 HE1 HIS 101 1HE HIS 101 21.239 -9.782 14.690 817 HE2 HIS 101 2HE HIS 101 22.653 -7.865 15.526 818 H HIS 102 HN HIS 102 19.076 -6.200 9.760 819 HA HIS 102 HA HIS 102 21.320 -7.922 9.113 820 HB2 HIS 102 2HB HIS 102 18.968 -8.770 9.114 821 HB3 HIS 102 1HB HIS 102 18.628 -7.719 7.745 822 HD1 HIS 102 1HD HIS 102 18.875 -8.784 5.528 823 HD2 HIS 102 2HD HIS 102 21.141 -10.705 8.443 824 HE1 HIS 102 1HE HIS 102 19.917 -10.772 4.382 825 HE2 HIS 102 2HE HIS 102 21.400 -11.834 6.127 826 H HIS 103 HN HIS 103 19.477 -5.294 7.560 827 HA HIS 103 HA HIS 103 21.802 -4.749 5.887 828 HB2 HIS 103 2HB HIS 103 20.450 -6.325 4.555 829 HB3 HIS 103 1HB HIS 103 19.066 -5.247 4.686 830 HD1 HIS 103 1HD HIS 103 22.498 -5.429 3.086 831 HD2 HIS 103 2HD HIS 103 18.972 -3.236 2.816 832 HE1 HIS 103 1HE HIS 103 22.738 -3.999 1.026 833 HE2 HIS 103 2HE HIS 103 20.539 -2.786 0.811 834 H HIS 104 HN HIS 104 18.384 -3.738 5.857 835 HA HIS 104 HA HIS 104 17.407 -1.703 5.704 836 HB2 HIS 104 2HB HIS 104 18.320 -1.568 8.053 837 HB3 HIS 104 1HB HIS 104 19.701 -0.695 7.405 838 HD1 HIS 104 1HD HIS 104 17.732 0.503 9.514 839 HD2 HIS 104 2HD HIS 104 17.558 1.186 5.409 840 HE1 HIS 104 1HE HIS 104 16.511 2.684 9.233 841 HE2 HIS 104 2HE HIS 104 16.615 3.172 6.770 842 H HIS 105 HN HIS 105 20.477 -0.085 6.031 843 HA HIS 105 HA HIS 105 21.470 0.117 3.506 844 HB2 HIS 105 2HB HIS 105 19.273 0.942 2.744 845 HB3 HIS 105 1HB HIS 105 19.342 2.241 3.927 846 HD1 HIS 105 1HD HIS 105 19.674 4.337 2.683 847 HD2 HIS 105 2HD HIS 105 22.008 1.253 1.145 848 HE1 HIS 105 1HE HIS 105 21.048 5.372 0.850 849 HE2 HIS 105 2HE HIS 105 22.335 3.463 -0.164 850 H HIS 106 HN HIS 106 20.446 3.112 5.005 851 HA HIS 106 HA HIS 106 22.329 3.434 7.008 852 HB2 HIS 106 2HB HIS 106 23.942 3.233 5.031 853 HB3 HIS 106 1HB HIS 106 23.288 4.764 4.461 854 HD1 HIS 106 1HD HIS 106 24.312 6.844 5.394 855 HD2 HIS 106 2HD HIS 106 25.276 3.461 7.614 856 HE1 HIS 106 1HE HIS 106 26.033 7.597 7.068 857 HE2 HIS 106 2HE HIS 106 26.436 5.585 8.532 Start of MODEL 2 1 H1 MET 1 H1 MET 1 -16.149 3.455 5.344 2 H2 MET 1 H2 MET 1 -14.832 2.954 6.283 3 H3 MET 1 H3 MET 1 -15.797 1.802 5.497 4 HA MET 1 HA MET 1 -15.109 2.714 3.352 5 HB2 MET 1 2HB MET 1 -14.502 4.953 3.954 6 HB3 MET 1 1HB MET 1 -13.346 4.385 5.148 7 HG2 MET 1 2HG MET 1 -11.914 3.520 3.396 8 HG3 MET 1 1HG MET 1 -13.080 4.004 2.169 9 HE1 MET 1 2HE MET 1 -12.971 7.934 2.544 10 HE2 MET 1 3HE MET 1 -14.048 6.822 3.388 11 HE3 MET 1 1HE MET 1 -13.702 6.584 1.675 12 H THR 2 HN THR 2 -14.283 0.916 2.627 13 HA THR 2 HA THR 2 -12.360 -0.608 4.164 14 HB THR 2 HB THR 2 -12.484 -2.206 2.251 15 HG1 THR 2 1HG THR 2 -14.596 -0.608 1.229 16 HG21 THR 2 3HG2 THR 2 -15.149 -1.322 3.371 17 HG22 THR 2 1HG2 THR 2 -14.018 -2.441 4.135 18 HG23 THR 2 2HG2 THR 2 -14.815 -2.886 2.627 19 H PHE 3 HN PHE 3 -10.425 -1.526 2.880 20 HA PHE 3 HA PHE 3 -8.796 0.652 2.059 21 HB2 PHE 3 2HB PHE 3 -7.923 -1.439 3.103 22 HB3 PHE 3 1HB PHE 3 -8.314 -2.303 1.621 23 HD1 PHE 3 2HD PHE 3 -6.191 0.352 3.058 24 HD2 PHE 3 1HD PHE 3 -6.872 -2.249 -0.239 25 HE1 PHE 3 2HE PHE 3 -3.987 0.942 2.142 26 HE2 PHE 3 1HE PHE 3 -4.665 -1.667 -1.157 27 HZ PHE 3 HZ PHE 3 -3.219 -0.066 0.036 28 H SER 4 HN SER 4 -10.692 -1.772 0.380 29 HA SER 4 HA SER 4 -9.847 -1.301 -2.243 30 HB2 SER 4 2HB SER 4 -11.300 -3.187 -1.611 31 HB3 SER 4 1HB SER 4 -12.608 -2.065 -1.242 32 HG SER 4 HG SER 4 -12.982 -2.800 -3.285 33 H GLU 5 HN GLU 5 -12.448 0.209 -0.362 34 HA GLU 5 HA GLU 5 -13.303 2.038 -2.314 35 HB2 GLU 5 2HB GLU 5 -13.423 2.089 0.700 36 HB3 GLU 5 1HB GLU 5 -14.207 3.287 -0.308 37 HG2 GLU 5 2HG GLU 5 -15.646 1.649 -1.263 38 HG3 GLU 5 1HG GLU 5 -14.758 0.344 -0.477 39 H CYS 6 HN CYS 6 -11.027 2.375 0.368 40 HA CYS 6 HA CYS 6 -10.523 5.129 0.033 41 HB2 CYS 6 2HB CYS 6 -10.061 3.851 2.094 42 HB3 CYS 6 1HB CYS 6 -8.761 3.021 1.280 43 HG CYS 6 HG CYS 6 -7.990 6.047 0.784 44 H ALA 7 HN ALA 7 -8.653 2.281 -0.933 45 HA ALA 7 HA ALA 7 -6.566 3.611 -2.228 46 HB1 ALA 7 1HB ALA 7 -7.733 0.928 -2.958 47 HB2 ALA 7 2HB ALA 7 -6.522 1.216 -1.710 48 HB3 ALA 7 3HB ALA 7 -6.136 1.526 -3.403 49 H ALA 8 HN ALA 8 -9.691 2.498 -3.516 50 HA ALA 8 HA ALA 8 -9.245 3.268 -6.181 51 HB1 ALA 8 1HB ALA 8 -11.082 1.803 -5.517 52 HB2 ALA 8 2HB ALA 8 -11.672 3.191 -6.431 53 HB3 ALA 8 3HB ALA 8 -11.855 3.147 -4.678 54 H LEU 9 HN LEU 9 -10.546 5.045 -3.411 55 HA LEU 9 HA LEU 9 -11.214 7.406 -4.791 56 HB2 LEU 9 2HB LEU 9 -10.435 6.938 -1.915 57 HB3 LEU 9 1HB LEU 9 -10.970 8.491 -2.525 58 HG LEU 9 HG LEU 9 -12.610 5.957 -2.524 59 HD11 LEU 9 1HD1 LEU 9 -13.950 7.102 -0.822 60 HD12 LEU 9 2HD1 LEU 9 -12.803 8.441 -0.825 61 HD13 LEU 9 3HD1 LEU 9 -12.290 6.844 -0.281 62 HD21 LEU 9 3HD2 LEU 9 -13.335 8.777 -3.310 63 HD22 LEU 9 1HD2 LEU 9 -14.450 7.411 -3.217 64 HD23 LEU 9 2HD2 LEU 9 -13.148 7.409 -4.406 65 H TYR 10 HN TYR 10 -8.227 6.386 -3.167 66 HA TYR 10 HA TYR 10 -6.786 8.763 -3.537 67 HB2 TYR 10 2HB TYR 10 -5.955 7.012 -2.064 68 HB3 TYR 10 1HB TYR 10 -5.770 5.915 -3.426 69 HD1 TYR 10 1HD TYR 10 -4.617 9.265 -2.254 70 HD2 TYR 10 2HD TYR 10 -3.698 5.752 -4.467 71 HE1 TYR 10 1HE TYR 10 -2.342 10.110 -2.636 72 HE2 TYR 10 2HE TYR 10 -1.416 6.585 -4.845 73 HH TYR 10 HH TYR 10 -0.103 9.214 -3.152 74 H ILE 11 HN ILE 11 -7.018 5.866 -5.543 75 HA ILE 11 HA ILE 11 -5.250 6.624 -7.562 76 HB ILE 11 HB ILE 11 -7.715 4.883 -7.759 77 HG12 ILE 11 2HG1 ILE 11 -4.791 4.158 -7.472 78 HG13 ILE 11 1HG1 ILE 11 -5.956 4.148 -6.154 79 HG21 ILE 11 1HG2 ILE 11 -5.400 5.153 -9.679 80 HG22 ILE 11 2HG2 ILE 11 -7.056 5.691 -9.966 81 HG23 ILE 11 3HG2 ILE 11 -6.704 3.971 -9.798 82 HD11 ILE 11 3HD1 ILE 11 -6.036 2.416 -8.611 83 HD12 ILE 11 1HD1 ILE 11 -7.240 2.421 -7.322 84 HD13 ILE 11 2HD1 ILE 11 -5.585 1.912 -6.983 85 H LYS 12 HN LYS 12 -8.748 7.197 -7.272 86 HA LYS 12 HA LYS 12 -8.974 8.556 -9.778 87 HB2 LYS 12 2HB LYS 12 -10.770 8.686 -7.339 88 HB3 LYS 12 1HB LYS 12 -11.187 9.262 -8.945 89 HG2 LYS 12 2HG LYS 12 -11.295 7.085 -9.817 90 HG3 LYS 12 1HG LYS 12 -10.479 6.396 -8.406 91 HD2 LYS 12 2HD LYS 12 -12.401 7.037 -7.008 92 HD3 LYS 12 1HD LYS 12 -13.217 7.674 -8.436 93 HE2 LYS 12 2HE LYS 12 -13.328 5.489 -9.418 94 HE3 LYS 12 1HE LYS 12 -12.324 4.814 -8.133 95 HZ1 LYS 12 3HZ LYS 12 -14.965 6.066 -7.631 96 HZ2 LYS 12 1HZ LYS 12 -14.046 5.121 -6.564 97 HZ3 LYS 12 2HZ LYS 12 -14.771 4.405 -7.920 98 H ALA 13 HN ALA 13 -8.399 9.596 -6.458 99 HA ALA 13 HA ALA 13 -8.810 12.367 -7.000 100 HB1 ALA 13 1HB ALA 13 -7.940 12.748 -4.757 101 HB2 ALA 13 2HB ALA 13 -7.398 11.070 -4.673 102 HB3 ALA 13 3HB ALA 13 -9.120 11.437 -4.764 103 H HIS 14 HN HIS 14 -5.966 10.276 -6.856 104 HA HIS 14 HA HIS 14 -4.274 12.634 -7.345 105 HB2 HIS 14 2HB HIS 14 -3.919 10.886 -5.408 106 HB3 HIS 14 1HB HIS 14 -3.170 9.927 -6.680 107 HD1 HIS 14 1HD HIS 14 -0.890 10.178 -5.357 108 HD2 HIS 14 2HD HIS 14 -2.498 13.727 -6.811 109 HE1 HIS 14 1HE HIS 14 0.961 11.872 -5.212 110 HE2 HIS 14 2HE HIS 14 -0.105 14.056 -5.896 111 H ARG 15 HN ARG 15 -5.913 10.789 -9.262 112 HA ARG 15 HA ARG 15 -4.037 9.428 -10.883 113 HB2 ARG 15 2HB ARG 15 -5.830 9.165 -12.487 114 HB3 ARG 15 1HB ARG 15 -6.454 8.907 -10.871 115 HG2 ARG 15 2HG ARG 15 -7.494 11.053 -10.855 116 HG3 ARG 15 1HG ARG 15 -6.722 11.491 -12.376 117 HD2 ARG 15 2HD ARG 15 -8.679 9.229 -12.028 118 HD3 ARG 15 1HD ARG 15 -9.095 10.832 -12.632 119 HE ARG 15 HE ARG 15 -7.067 9.971 -14.266 120 HH11 ARG 15 1HH1 ARG 15 -10.213 8.777 -13.350 121 HH12 ARG 15 2HH1 ARG 15 -10.510 7.962 -14.854 122 HH21 ARG 15 1HH2 ARG 15 -7.426 8.911 -16.277 123 HH22 ARG 15 2HH2 ARG 15 -8.907 8.024 -16.522 124 H SER 16 HN SER 16 -5.122 12.745 -10.820 125 HA SER 16 HA SER 16 -4.370 13.330 -13.523 126 HB2 SER 16 2HB SER 16 -6.124 14.556 -12.151 127 HB3 SER 16 1HB SER 16 -4.790 15.331 -11.300 128 HG SER 16 HG SER 16 -4.458 15.458 -13.987 129 H SER 17 HN SER 17 -2.715 13.021 -10.596 130 HA SER 17 HA SER 17 -0.469 14.679 -11.334 131 HB2 SER 17 2HB SER 17 -1.205 14.212 -8.948 132 HB3 SER 17 1HB SER 17 -0.589 12.574 -9.162 133 HG SER 17 HG SER 17 1.003 14.877 -9.615 134 H TRP 18 HN TRP 18 -1.636 11.635 -12.132 135 HA TRP 18 HA TRP 18 1.029 10.667 -12.934 136 HB2 TRP 18 2HB TRP 18 -1.519 9.045 -12.747 137 HB3 TRP 18 1HB TRP 18 0.111 8.439 -12.994 138 HD1 TRP 18 1HD TRP 18 1.359 10.244 -10.520 139 HE1 TRP 18 1HE TRP 18 0.928 9.375 -8.129 140 HE3 TRP 18 3HE TRP 18 -2.641 7.215 -11.465 141 HZ2 TRP 18 2HZ TRP 18 -0.873 7.623 -6.824 142 HZ3 TRP 18 3HZ TRP 18 -3.658 5.970 -9.608 143 HH2 TRP 18 2HH TRP 18 -2.791 6.174 -7.331 144 H LYS 19 HN LYS 19 -0.419 12.667 -14.456 145 HA LYS 19 HA LYS 19 -1.008 13.127 -16.529 146 HB2 LYS 19 2HB LYS 19 -0.100 10.338 -17.070 147 HB3 LYS 19 1HB LYS 19 -0.818 11.350 -18.323 148 HG2 LYS 19 2HG LYS 19 0.877 13.102 -17.764 149 HG3 LYS 19 1HG LYS 19 1.652 11.926 -16.707 150 HD2 LYS 19 2HD LYS 19 2.780 11.985 -18.833 151 HD3 LYS 19 1HD LYS 19 1.966 10.435 -18.634 152 HE2 LYS 19 2HE LYS 19 1.689 11.303 -20.895 153 HE3 LYS 19 1HE LYS 19 0.141 11.199 -20.056 154 HZ1 LYS 19 3HZ LYS 19 0.040 13.498 -19.802 155 HZ2 LYS 19 1HZ LYS 19 0.630 13.293 -21.376 156 HZ3 LYS 19 2HZ LYS 19 1.691 13.719 -20.123 157 H ASN 20 HN ASN 20 -3.906 12.094 -17.725 158 HA ASN 20 HA ASN 20 -3.742 9.425 -17.267 159 HB2 ASN 20 2HB ASN 20 -4.210 10.966 -19.772 160 HB3 ASN 20 1HB ASN 20 -4.292 9.207 -19.715 161 HD21 ASN 20 1HD2 ASN 20 -6.353 11.223 -20.226 162 HD22 ASN 20 2HD2 ASN 20 -7.604 10.927 -19.068 163 H THR 21 HN THR 21 -1.851 8.614 -16.779 164 HA THR 21 HA THR 21 -0.468 7.651 -19.211 165 HB THR 21 HB THR 21 1.032 6.413 -17.572 166 HG1 THR 21 1HG THR 21 -0.025 8.290 -15.701 167 HG21 THR 21 3HG2 THR 21 1.127 9.421 -17.492 168 HG22 THR 21 1HG2 THR 21 1.830 8.388 -18.738 169 HG23 THR 21 2HG2 THR 21 2.458 8.336 -17.090 170 H LYS 22 HN LYS 22 0.110 5.119 -18.692 171 HA LYS 22 HA LYS 22 -2.439 3.842 -18.062 172 HB2 LYS 22 2HB LYS 22 0.167 2.659 -19.040 173 HB3 LYS 22 1HB LYS 22 -1.317 1.762 -18.778 174 HG2 LYS 22 2HG LYS 22 -2.339 3.483 -20.437 175 HG3 LYS 22 1HG LYS 22 -0.659 3.747 -20.901 176 HD2 LYS 22 2HD LYS 22 -2.169 1.137 -20.979 177 HD3 LYS 22 1HD LYS 22 -1.665 2.103 -22.364 178 HE2 LYS 22 2HE LYS 22 0.688 1.730 -21.729 179 HE3 LYS 22 1HE LYS 22 0.150 0.708 -20.396 180 HZ1 LYS 22 3HZ LYS 22 -0.131 0.208 -23.305 181 HZ2 LYS 22 1HZ LYS 22 -1.011 -0.660 -22.144 182 HZ3 LYS 22 2HZ LYS 22 0.679 -0.741 -22.152 183 H HIS 23 HN HIS 23 -0.214 5.094 -16.239 184 HA HIS 23 HA HIS 23 0.702 3.061 -14.518 185 HB2 HIS 23 2HB HIS 23 0.235 6.006 -14.033 186 HB3 HIS 23 1HB HIS 23 0.916 4.937 -12.814 187 HD1 HIS 23 1HD HIS 23 2.510 7.350 -13.961 188 HD2 HIS 23 2HD HIS 23 2.805 3.432 -15.334 189 HE1 HIS 23 1HE HIS 23 4.756 7.190 -15.074 190 HE2 HIS 23 2HE HIS 23 4.878 4.843 -15.984 191 H ALA 24 HN ALA 24 -2.323 4.806 -14.690 192 HA ALA 24 HA ALA 24 -3.380 4.280 -12.162 193 HB1 ALA 24 1HB ALA 24 -4.430 5.798 -13.779 194 HB2 ALA 24 2HB ALA 24 -5.577 4.600 -13.179 195 HB3 ALA 24 3HB ALA 24 -4.874 4.418 -14.785 196 H ASP 25 HN ASP 25 -3.380 2.303 -15.099 197 HA ASP 25 HA ASP 25 -4.892 0.157 -13.993 198 HB2 ASP 25 2HB ASP 25 -4.698 0.455 -16.423 199 HB3 ASP 25 1HB ASP 25 -2.967 0.157 -16.333 200 H GLN 26 HN GLN 26 -1.450 0.755 -14.465 201 HA GLN 26 HA GLN 26 -0.451 -1.661 -13.521 202 HB2 GLN 26 2HB GLN 26 0.713 1.122 -13.472 203 HB3 GLN 26 1HB GLN 26 1.627 -0.325 -13.084 204 HG2 GLN 26 2HG GLN 26 1.422 -1.162 -15.286 205 HG3 GLN 26 1HG GLN 26 0.199 0.038 -15.694 206 HE21 GLN 26 1HE2 GLN 26 1.382 0.722 -17.464 207 HE22 GLN 26 2HE2 GLN 26 2.806 1.686 -17.307 208 H TRP 27 HN TRP 27 -1.522 1.192 -11.767 209 HA TRP 27 HA TRP 27 -0.665 0.209 -9.210 210 HB2 TRP 27 2HB TRP 27 -2.456 2.451 -10.107 211 HB3 TRP 27 1HB TRP 27 -2.368 2.003 -8.409 212 HD1 TRP 27 1HD TRP 27 0.294 2.757 -11.152 213 HE1 TRP 27 1HE TRP 27 2.076 4.297 -10.114 214 HE3 TRP 27 3HE TRP 27 -1.653 3.155 -6.447 215 HZ2 TRP 27 2HZ TRP 27 2.580 5.517 -7.617 216 HZ3 TRP 27 3HZ TRP 27 -0.466 4.535 -4.791 217 HH2 TRP 27 2HH TRP 27 1.609 5.692 -5.365 218 H THR 28 HN THR 28 -3.821 0.434 -10.853 219 HA THR 28 HA THR 28 -5.303 -0.671 -8.719 220 HB THR 28 HB THR 28 -6.064 -0.639 -11.646 221 HG1 THR 28 1HG THR 28 -5.598 1.467 -11.060 222 HG21 THR 28 3HG2 THR 28 -8.364 -0.564 -10.774 223 HG22 THR 28 1HG2 THR 28 -7.739 -0.700 -9.131 224 HG23 THR 28 2HG2 THR 28 -7.523 -2.029 -10.270 225 H ASN 29 HN ASN 29 -4.030 -2.107 -11.702 226 HA ASN 29 HA ASN 29 -5.289 -4.580 -11.601 227 HB2 ASN 29 2HB ASN 29 -3.970 -3.650 -13.517 228 HB3 ASN 29 1HB ASN 29 -2.498 -4.022 -12.630 229 HD21 ASN 29 1HD2 ASN 29 -5.091 -5.250 -14.517 230 HD22 ASN 29 2HD2 ASN 29 -4.489 -6.866 -14.669 231 H THR 30 HN THR 30 -2.130 -3.672 -10.270 232 HA THR 30 HA THR 30 -1.589 -6.305 -9.325 233 HB THR 30 HB THR 30 0.278 -5.056 -8.045 234 HG1 THR 30 1HG THR 30 -0.132 -2.984 -9.897 235 HG21 THR 30 3HG2 THR 30 0.152 -4.926 -11.062 236 HG22 THR 30 1HG2 THR 30 0.637 -6.331 -10.110 237 HG23 THR 30 2HG2 THR 30 1.619 -4.866 -10.087 238 H ILE 31 HN ILE 31 -2.734 -3.307 -7.802 239 HA ILE 31 HA ILE 31 -2.675 -4.299 -5.155 240 HB ILE 31 HB ILE 31 -4.340 -2.080 -6.362 241 HG12 ILE 31 2HG1 ILE 31 -1.853 -2.030 -4.632 242 HG13 ILE 31 1HG1 ILE 31 -1.898 -1.729 -6.365 243 HG21 ILE 31 1HG2 ILE 31 -5.461 -2.948 -4.375 244 HG22 ILE 31 2HG2 ILE 31 -4.795 -1.343 -4.072 245 HG23 ILE 31 3HG2 ILE 31 -3.970 -2.771 -3.444 246 HD11 ILE 31 3HD1 ILE 31 -3.270 -0.058 -4.273 247 HD12 ILE 31 1HD1 ILE 31 -3.236 0.256 -6.007 248 HD13 ILE 31 2HD1 ILE 31 -1.745 0.333 -5.070 249 H LYS 32 HN LYS 32 -5.169 -4.314 -7.657 250 HA LYS 32 HA LYS 32 -7.288 -5.334 -6.140 251 HB2 LYS 32 2HB LYS 32 -7.410 -4.464 -8.505 252 HB3 LYS 32 1HB LYS 32 -6.705 -5.981 -9.037 253 HG2 LYS 32 2HG LYS 32 -8.622 -7.194 -8.099 254 HG3 LYS 32 1HG LYS 32 -9.339 -5.658 -7.614 255 HD2 LYS 32 2HD LYS 32 -9.323 -4.964 -10.001 256 HD3 LYS 32 1HD LYS 32 -8.746 -6.574 -10.427 257 HE2 LYS 32 2HE LYS 32 -10.767 -7.553 -9.444 258 HE3 LYS 32 1HE LYS 32 -11.346 -5.938 -9.034 259 HZ1 LYS 32 3HZ LYS 32 -12.401 -6.581 -11.042 260 HZ2 LYS 32 1HZ LYS 32 -10.937 -7.077 -11.746 261 HZ3 LYS 32 2HZ LYS 32 -11.228 -5.432 -11.466 262 H THR 33 HN THR 33 -4.569 -6.936 -7.694 263 HA THR 33 HA THR 33 -5.629 -9.575 -7.227 264 HB THR 33 HB THR 33 -2.838 -8.797 -8.084 265 HG1 THR 33 1HG THR 33 -3.594 -8.777 -10.123 266 HG21 THR 33 3HG2 THR 33 -2.759 -11.061 -9.018 267 HG22 THR 33 1HG2 THR 33 -4.374 -11.384 -8.383 268 HG23 THR 33 2HG2 THR 33 -3.029 -11.105 -7.276 269 H TYR 34 HN TYR 34 -2.873 -7.707 -5.903 270 HA TYR 34 HA TYR 34 -2.189 -9.856 -4.120 271 HB2 TYR 34 2HB TYR 34 -1.120 -7.038 -4.308 272 HB3 TYR 34 1HB TYR 34 -0.465 -8.285 -3.255 273 HD1 TYR 34 1HD TYR 34 0.004 -10.595 -4.645 274 HD2 TYR 34 2HD TYR 34 0.070 -6.648 -6.232 275 HE1 TYR 34 1HE TYR 34 1.487 -11.351 -6.454 276 HE2 TYR 34 2HE TYR 34 1.549 -7.396 -8.047 277 HH TYR 34 HH TYR 34 2.051 -10.624 -8.802 278 H CYS 35 HN CYS 35 -3.545 -6.589 -3.674 279 HA CYS 35 HA CYS 35 -3.677 -7.064 -0.799 280 HB2 CYS 35 2HB CYS 35 -4.358 -4.565 -2.364 281 HB3 CYS 35 1HB CYS 35 -4.177 -4.686 -0.617 282 HG CYS 35 HG CYS 35 -1.407 -5.567 -0.998 283 H GLY 36 HN GLY 36 -5.734 -7.000 -3.551 284 HA2 GLY 36 2HA GLY 36 -8.180 -6.191 -2.600 285 HA3 GLY 36 1HA GLY 36 -7.968 -7.426 -3.826 286 HA PRO 37 HA PRO 37 -9.546 -10.546 -1.180 287 HB2 PRO 37 2HB PRO 37 -7.171 -12.269 -1.269 288 HB3 PRO 37 1HB PRO 37 -8.778 -12.535 -1.948 289 HG2 PRO 37 2HG PRO 37 -6.646 -12.034 -3.506 290 HG3 PRO 37 1HG PRO 37 -8.273 -11.466 -3.923 291 HD2 PRO 37 2HD PRO 37 -5.991 -9.952 -2.708 292 HD3 PRO 37 1HD PRO 37 -7.131 -9.447 -3.975 293 H VAL 38 HN VAL 38 -6.539 -9.187 -0.217 294 HA VAL 38 HA VAL 38 -6.512 -10.632 2.316 295 HB VAL 38 HB VAL 38 -4.557 -8.542 1.341 296 HG11 VAL 38 1HG1 VAL 38 -4.576 -8.828 3.769 297 HG12 VAL 38 2HG1 VAL 38 -3.082 -9.450 3.067 298 HG13 VAL 38 3HG1 VAL 38 -4.350 -10.565 3.573 299 HG21 VAL 38 3HG2 VAL 38 -3.092 -10.423 0.777 300 HG22 VAL 38 1HG2 VAL 38 -4.585 -10.468 -0.161 301 HG23 VAL 38 2HG2 VAL 38 -4.372 -11.556 1.211 302 H ILE 39 HN ILE 39 -6.135 -7.174 1.459 303 HA ILE 39 HA ILE 39 -7.486 -6.552 4.003 304 HB ILE 39 HB ILE 39 -6.242 -4.381 3.941 305 HG12 ILE 39 2HG1 ILE 39 -4.632 -5.776 1.791 306 HG13 ILE 39 1HG1 ILE 39 -5.687 -4.395 1.533 307 HG21 ILE 39 1HG2 ILE 39 -5.545 -6.179 5.395 308 HG22 ILE 39 2HG2 ILE 39 -4.129 -5.347 4.751 309 HG23 ILE 39 3HG2 ILE 39 -4.612 -6.909 4.091 310 HD11 ILE 39 3HD1 ILE 39 -3.365 -3.716 1.620 311 HD12 ILE 39 1HD1 ILE 39 -3.206 -4.418 3.230 312 HD13 ILE 39 2HD1 ILE 39 -4.268 -3.034 2.973 313 H GLY 40 HN GLY 40 -8.152 -6.679 0.868 314 HA2 GLY 40 2HA GLY 40 -9.049 -4.198 0.021 315 HA3 GLY 40 1HA GLY 40 -9.769 -5.726 -0.454 316 HA PRO 41 HA PRO 41 -13.373 -4.783 1.879 317 HB2 PRO 41 2HB PRO 41 -13.548 -7.294 3.324 318 HB3 PRO 41 1HB PRO 41 -14.480 -6.757 1.925 319 HG2 PRO 41 2HG PRO 41 -12.649 -8.772 1.824 320 HG3 PRO 41 1HG PRO 41 -13.061 -7.754 0.434 321 HD2 PRO 41 2HD PRO 41 -10.699 -7.595 2.268 322 HD3 PRO 41 1HD PRO 41 -10.776 -7.381 0.504 323 H LEU 42 HN LEU 42 -10.552 -5.195 3.569 324 HA LEU 42 HA LEU 42 -11.676 -4.826 6.213 325 HB2 LEU 42 2HB LEU 42 -8.837 -4.752 5.188 326 HB3 LEU 42 1HB LEU 42 -9.266 -4.449 6.860 327 HG LEU 42 HG LEU 42 -9.743 -7.037 5.373 328 HD11 LEU 42 1HD1 LEU 42 -8.009 -7.928 6.859 329 HD12 LEU 42 2HD1 LEU 42 -7.743 -6.311 7.513 330 HD13 LEU 42 3HD1 LEU 42 -7.382 -6.649 5.820 331 HD21 LEU 42 3HD2 LEU 42 -10.371 -7.918 7.568 332 HD22 LEU 42 1HD2 LEU 42 -11.444 -6.609 7.076 333 HD23 LEU 42 2HD2 LEU 42 -10.182 -6.311 8.271 334 H SER 43 HN SER 43 -11.585 -2.899 7.397 335 HA SER 43 HA SER 43 -12.001 -0.545 5.898 336 HB2 SER 43 2HB SER 43 -12.950 -1.017 8.174 337 HB3 SER 43 1HB SER 43 -11.350 -0.744 8.844 338 HG SER 43 HG SER 43 -12.777 1.163 7.293 339 H VAL 44 HN VAL 44 -10.727 1.262 5.593 340 HA VAL 44 HA VAL 44 -7.926 0.916 5.473 341 HB VAL 44 HB VAL 44 -9.138 2.517 4.036 342 HG11 VAL 44 1HG1 VAL 44 -9.428 4.164 6.542 343 HG12 VAL 44 2HG1 VAL 44 -10.731 3.359 5.669 344 HG13 VAL 44 3HG1 VAL 44 -9.846 4.681 4.907 345 HG21 VAL 44 3HG2 VAL 44 -6.741 2.778 4.328 346 HG22 VAL 44 1HG2 VAL 44 -7.007 3.793 5.746 347 HG23 VAL 44 2HG2 VAL 44 -7.521 4.351 4.153 348 H GLN 45 HN GLN 45 -10.084 1.872 7.953 349 HA GLN 45 HA GLN 45 -8.232 3.190 9.671 350 HB2 GLN 45 2HB GLN 45 -11.009 2.587 9.632 351 HB3 GLN 45 1HB GLN 45 -10.357 1.929 11.124 352 HG2 GLN 45 2HG GLN 45 -9.989 4.772 10.216 353 HG3 GLN 45 1HG GLN 45 -11.244 4.228 11.329 354 HE21 GLN 45 1HE2 GLN 45 -9.092 6.129 11.746 355 HE22 GLN 45 2HE2 GLN 45 -8.172 5.531 13.093 356 H ASP 46 HN ASP 46 -9.326 -0.140 9.248 357 HA ASP 46 HA ASP 46 -8.157 -1.093 11.669 358 HB2 ASP 46 2HB ASP 46 -9.341 -2.468 9.270 359 HB3 ASP 46 1HB ASP 46 -8.621 -3.366 10.597 360 H VAL 47 HN VAL 47 -6.852 -0.431 8.592 361 HA VAL 47 HA VAL 47 -4.902 -2.421 8.335 362 HB VAL 47 HB VAL 47 -4.680 0.465 7.463 363 HG11 VAL 47 1HG1 VAL 47 -3.094 -0.396 5.792 364 HG12 VAL 47 2HG1 VAL 47 -3.219 -2.002 6.515 365 HG13 VAL 47 3HG1 VAL 47 -2.528 -0.671 7.443 366 HG21 VAL 47 3HG2 VAL 47 -6.689 -0.587 6.582 367 HG22 VAL 47 1HG2 VAL 47 -5.734 -1.944 5.985 368 HG23 VAL 47 2HG2 VAL 47 -5.505 -0.333 5.299 369 H ASP 48 HN ASP 48 -3.434 -2.958 9.786 370 HA ASP 48 HA ASP 48 -2.119 -0.849 11.376 371 HB2 ASP 48 2HB ASP 48 -3.673 -2.145 12.751 372 HB3 ASP 48 1HB ASP 48 -2.933 -3.647 12.231 373 H THR 49 HN THR 49 -0.066 -1.564 12.279 374 HA THR 49 HA THR 49 1.821 -2.131 10.328 375 HB THR 49 HB THR 49 2.339 -2.821 13.200 376 HG1 THR 49 1HG THR 49 1.641 -0.925 13.822 377 HG21 THR 49 3HG2 THR 49 4.443 -1.643 12.769 378 HG22 THR 49 1HG2 THR 49 3.892 -1.242 11.142 379 HG23 THR 49 2HG2 THR 49 4.179 -2.925 11.587 380 H LYS 50 HN LYS 50 0.294 -4.224 12.716 381 HA LYS 50 HA LYS 50 1.799 -6.561 12.287 382 HB2 LYS 50 2HB LYS 50 0.212 -5.976 14.198 383 HB3 LYS 50 1HB LYS 50 -1.100 -6.415 13.124 384 HG2 LYS 50 2HG LYS 50 1.108 -8.332 13.787 385 HG3 LYS 50 1HG LYS 50 -0.314 -8.142 14.812 386 HD2 LYS 50 2HD LYS 50 -1.700 -8.613 12.753 387 HD3 LYS 50 1HD LYS 50 -0.195 -9.069 11.952 388 HE2 LYS 50 2HE LYS 50 -1.251 -11.051 12.789 389 HE3 LYS 50 1HE LYS 50 0.199 -10.733 13.740 390 HZ1 LYS 50 3HZ LYS 50 -2.568 -10.022 14.564 391 HZ2 LYS 50 1HZ LYS 50 -1.165 -9.810 15.490 392 HZ3 LYS 50 2HZ LYS 50 -1.707 -11.373 15.115 393 H LEU 51 HN LEU 51 -1.205 -5.382 10.844 394 HA LEU 51 HA LEU 51 -1.763 -7.729 9.369 395 HB2 LEU 51 2HB LEU 51 -2.723 -4.901 8.961 396 HB3 LEU 51 1HB LEU 51 -3.382 -6.310 8.164 397 HG LEU 51 HG LEU 51 -3.474 -5.727 11.114 398 HD11 LEU 51 1HD1 LEU 51 -5.885 -5.555 10.754 399 HD12 LEU 51 2HD1 LEU 51 -5.646 -5.814 9.026 400 HD13 LEU 51 3HD1 LEU 51 -5.002 -4.365 9.797 401 HD21 LEU 51 3HD2 LEU 51 -3.234 -8.118 10.736 402 HD22 LEU 51 1HD2 LEU 51 -4.563 -8.085 9.576 403 HD23 LEU 51 2HD2 LEU 51 -4.869 -7.738 11.278 404 H ILE 52 HN ILE 52 -0.156 -4.676 8.545 405 HA ILE 52 HA ILE 52 0.108 -5.125 5.789 406 HB ILE 52 HB ILE 52 2.017 -3.605 7.579 407 HG12 ILE 52 2HG1 ILE 52 -0.378 -2.628 6.002 408 HG13 ILE 52 1HG1 ILE 52 -0.326 -2.822 7.750 409 HG21 ILE 52 1HG2 ILE 52 2.613 -2.389 5.533 410 HG22 ILE 52 2HG2 ILE 52 1.550 -3.447 4.603 411 HG23 ILE 52 3HG2 ILE 52 2.976 -4.110 5.400 412 HD11 ILE 52 3HD1 ILE 52 1.410 -1.112 7.888 413 HD12 ILE 52 1HD1 ILE 52 -0.048 -0.501 7.108 414 HD13 ILE 52 2HD1 ILE 52 1.359 -0.923 6.135 415 H MET 53 HN MET 53 2.182 -6.057 8.501 416 HA MET 53 HA MET 53 4.303 -7.170 7.043 417 HB2 MET 53 2HB MET 53 3.189 -8.045 9.722 418 HB3 MET 53 1HB MET 53 4.742 -8.538 9.068 419 HG2 MET 53 2HG MET 53 5.482 -6.202 9.106 420 HG3 MET 53 1HG MET 53 3.930 -5.736 9.797 421 HE1 MET 53 3HE MET 53 5.090 -4.552 11.857 422 HE2 MET 53 1HE MET 53 6.666 -4.938 11.161 423 HE3 MET 53 2HE MET 53 6.326 -5.315 12.853 424 H LYS 54 HN LYS 54 1.202 -8.526 8.048 425 HA LYS 54 HA LYS 54 1.816 -11.178 7.239 426 HB2 LYS 54 2HB LYS 54 -0.834 -9.848 7.811 427 HB3 LYS 54 1HB LYS 54 -0.636 -11.568 7.509 428 HG2 LYS 54 2HG LYS 54 0.724 -10.084 9.754 429 HG3 LYS 54 1HG LYS 54 -0.807 -10.940 9.917 430 HD2 LYS 54 2HD LYS 54 0.891 -12.402 10.715 431 HD3 LYS 54 1HD LYS 54 0.385 -13.018 9.145 432 HE2 LYS 54 2HE LYS 54 2.339 -11.949 8.107 433 HE3 LYS 54 1HE LYS 54 2.843 -11.354 9.687 434 HZ1 LYS 54 3HZ LYS 54 2.465 -14.242 9.163 435 HZ2 LYS 54 1HZ LYS 54 3.335 -13.498 10.417 436 HZ3 LYS 54 2HZ LYS 54 3.937 -13.460 8.828 437 H VAL 55 HN VAL 55 0.211 -8.461 5.664 438 HA VAL 55 HA VAL 55 -0.611 -9.795 3.330 439 HB VAL 55 HB VAL 55 0.365 -6.938 3.539 440 HG11 VAL 55 1HG1 VAL 55 -1.449 -8.271 1.531 441 HG12 VAL 55 2HG1 VAL 55 0.193 -7.694 1.242 442 HG13 VAL 55 3HG1 VAL 55 -1.094 -6.545 1.604 443 HG21 VAL 55 3HG2 VAL 55 -1.977 -6.330 3.872 444 HG22 VAL 55 1HG2 VAL 55 -1.389 -7.367 5.171 445 HG23 VAL 55 2HG2 VAL 55 -2.419 -8.036 3.902 446 H LEU 56 HN LEU 56 2.435 -8.227 4.189 447 HA LEU 56 HA LEU 56 3.603 -8.660 1.600 448 HB2 LEU 56 2HB LEU 56 4.758 -7.691 4.208 449 HB3 LEU 56 1HB LEU 56 5.657 -7.756 2.707 450 HG LEU 56 HG LEU 56 3.208 -6.068 3.226 451 HD11 LEU 56 1HD1 LEU 56 6.105 -5.309 2.882 452 HD12 LEU 56 2HD1 LEU 56 5.185 -5.250 4.385 453 HD13 LEU 56 3HD1 LEU 56 4.756 -4.185 3.048 454 HD21 LEU 56 3HD2 LEU 56 4.968 -6.262 0.784 455 HD22 LEU 56 1HD2 LEU 56 3.676 -5.087 1.029 456 HD23 LEU 56 2HD2 LEU 56 3.295 -6.805 0.909 457 H ASP 57 HN ASP 57 3.427 -10.441 4.533 458 HA ASP 57 HA ASP 57 5.845 -11.709 4.748 459 HB2 ASP 57 2HB ASP 57 3.708 -11.865 6.224 460 HB3 ASP 57 1HB ASP 57 3.324 -13.261 5.231 461 HA PRO 58 HA PRO 58 4.604 -15.322 1.858 462 HB2 PRO 58 2HB PRO 58 2.367 -15.177 0.355 463 HB3 PRO 58 1HB PRO 58 2.342 -15.780 2.016 464 HG2 PRO 58 2HG PRO 58 1.612 -13.073 0.971 465 HG3 PRO 58 1HG PRO 58 0.773 -14.067 2.176 466 HD2 PRO 58 2HD PRO 58 2.415 -11.998 2.828 467 HD3 PRO 58 1HD PRO 58 2.184 -13.415 3.870 468 H ILE 59 HN ILE 59 4.229 -12.022 0.966 469 HA ILE 59 HA ILE 59 4.745 -12.405 -1.838 470 HB ILE 59 HB ILE 59 4.973 -9.845 -0.253 471 HG12 ILE 59 2HG1 ILE 59 2.767 -10.928 0.063 472 HG13 ILE 59 1HG1 ILE 59 2.655 -9.415 -0.817 473 HG21 ILE 59 1HG2 ILE 59 5.974 -9.741 -2.466 474 HG22 ILE 59 2HG2 ILE 59 4.492 -8.786 -2.422 475 HG23 ILE 59 3HG2 ILE 59 4.494 -10.377 -3.185 476 HD11 ILE 59 3HD1 ILE 59 2.550 -12.171 -2.017 477 HD12 ILE 59 1HD1 ILE 59 2.457 -10.657 -2.917 478 HD13 ILE 59 2HD1 ILE 59 1.186 -11.081 -1.771 479 H TRP 60 HN TRP 60 6.607 -11.619 1.052 480 HA TRP 60 HA TRP 60 9.027 -10.900 -0.158 481 HB2 TRP 60 2HB TRP 60 8.424 -12.210 2.485 482 HB3 TRP 60 1HB TRP 60 10.068 -11.827 1.996 483 HD1 TRP 60 1HD TRP 60 7.157 -10.363 3.729 484 HE1 TRP 60 1HE TRP 60 7.520 -7.849 4.156 485 HE3 TRP 60 3HE TRP 60 11.198 -9.611 0.691 486 HZ2 TRP 60 2HZ TRP 60 9.292 -5.814 3.309 487 HZ3 TRP 60 3HZ TRP 60 12.170 -7.354 0.560 488 HH2 TRP 60 2HH TRP 60 11.236 -5.498 1.840 489 H GLU 61 HN GLU 61 7.539 -14.004 0.196 490 HA GLU 61 HA GLU 61 9.924 -15.528 -0.212 491 HB2 GLU 61 2HB GLU 61 7.000 -16.264 -0.237 492 HB3 GLU 61 1HB GLU 61 8.323 -17.403 -0.296 493 HG2 GLU 61 2HG GLU 61 9.089 -16.629 1.897 494 HG3 GLU 61 1HG GLU 61 7.731 -15.507 1.951 495 H GLN 62 HN GLN 62 7.369 -14.214 -2.166 496 HA GLN 62 HA GLN 62 8.177 -15.822 -4.469 497 HB2 GLN 62 2HB GLN 62 5.762 -14.066 -4.015 498 HB3 GLN 62 1HB GLN 62 6.074 -14.989 -5.473 499 HG2 GLN 62 2HG GLN 62 5.898 -17.062 -4.275 500 HG3 GLN 62 1HG GLN 62 5.766 -16.206 -2.740 501 HE21 GLN 62 1HE2 GLN 62 3.855 -15.173 -2.218 502 HE22 GLN 62 2HE2 GLN 62 2.368 -15.508 -3.047 503 H LYS 63 HN LYS 63 7.494 -12.444 -3.602 504 HA LYS 63 HA LYS 63 9.336 -11.570 -5.712 505 HB2 LYS 63 2HB LYS 63 6.602 -10.348 -5.253 506 HB3 LYS 63 1HB LYS 63 7.788 -9.834 -6.444 507 HG2 LYS 63 2HG LYS 63 7.539 -11.954 -7.620 508 HG3 LYS 63 1HG LYS 63 6.360 -12.488 -6.420 509 HD2 LYS 63 2HD LYS 63 4.926 -10.569 -7.032 510 HD3 LYS 63 1HD LYS 63 6.088 -10.130 -8.284 511 HE2 LYS 63 2HE LYS 63 4.562 -12.724 -8.120 512 HE3 LYS 63 1HE LYS 63 4.193 -11.382 -9.203 513 HZ1 LYS 63 3HZ LYS 63 6.637 -13.072 -9.221 514 HZ2 LYS 63 1HZ LYS 63 6.431 -11.687 -10.181 515 HZ3 LYS 63 2HZ LYS 63 5.416 -13.031 -10.397 516 HA PRO 64 HA PRO 64 10.195 -9.742 -1.526 517 HB2 PRO 64 2HB PRO 64 12.887 -9.531 -2.747 518 HB3 PRO 64 1HB PRO 64 12.409 -10.180 -1.175 519 HG2 PRO 64 2HG PRO 64 13.145 -11.796 -3.174 520 HG3 PRO 64 1HG PRO 64 11.857 -12.247 -2.042 521 HD2 PRO 64 2HD PRO 64 11.651 -11.256 -4.853 522 HD3 PRO 64 1HD PRO 64 10.675 -12.477 -4.009 523 H GLU 65 HN GLU 65 11.773 -8.563 -4.515 524 HA GLU 65 HA GLU 65 12.009 -5.914 -3.675 525 HB2 GLU 65 2HB GLU 65 11.714 -6.887 -6.506 526 HB3 GLU 65 1HB GLU 65 12.501 -5.429 -5.963 527 HG2 GLU 65 2HG GLU 65 14.360 -6.648 -6.233 528 HG3 GLU 65 1HG GLU 65 13.950 -7.225 -4.619 529 H THR 66 HN THR 66 9.455 -7.636 -5.376 530 HA THR 66 HA THR 66 7.923 -5.345 -6.066 531 HB THR 66 HB THR 66 6.996 -8.207 -5.725 532 HG1 THR 66 1HG THR 66 8.619 -8.039 -7.303 533 HG21 THR 66 3HG2 THR 66 5.133 -6.618 -5.737 534 HG22 THR 66 1HG2 THR 66 5.165 -7.568 -7.222 535 HG23 THR 66 2HG2 THR 66 5.749 -5.904 -7.226 536 H ALA 67 HN ALA 67 7.953 -7.486 -3.272 537 HA ALA 67 HA ALA 67 5.689 -6.516 -1.937 538 HB1 ALA 67 1HB ALA 67 8.279 -7.510 -0.749 539 HB2 ALA 67 2HB ALA 67 6.912 -8.515 -1.225 540 HB3 ALA 67 3HB ALA 67 6.742 -7.365 0.103 541 H SER 68 HN SER 68 9.020 -5.373 -1.997 542 HA SER 68 HA SER 68 8.671 -3.295 -0.098 543 HB2 SER 68 2HB SER 68 10.731 -3.531 -2.304 544 HB3 SER 68 1HB SER 68 10.836 -2.476 -0.894 545 HG SER 68 HG SER 68 10.858 -5.315 -0.943 546 H ARG 69 HN ARG 69 8.536 -3.413 -3.637 547 HA ARG 69 HA ARG 69 8.185 -0.646 -4.028 548 HB2 ARG 69 2HB ARG 69 7.373 -2.961 -5.786 549 HB3 ARG 69 1HB ARG 69 7.493 -1.294 -6.296 550 HG2 ARG 69 2HG ARG 69 9.953 -1.514 -5.440 551 HG3 ARG 69 1HG ARG 69 9.647 -3.235 -5.675 552 HD2 ARG 69 2HD ARG 69 10.595 -2.470 -7.694 553 HD3 ARG 69 1HD ARG 69 8.866 -2.638 -8.012 554 HE ARG 69 HE ARG 69 9.346 -0.014 -7.163 555 HH11 ARG 69 1HH1 ARG 69 10.047 -2.074 -9.916 556 HH12 ARG 69 2HH1 ARG 69 10.233 -0.734 -11.012 557 HH21 ARG 69 1HH2 ARG 69 9.586 1.721 -8.594 558 HH22 ARG 69 2HH2 ARG 69 9.962 1.418 -10.267 559 H LEU 70 HN LEU 70 5.908 -3.327 -3.699 560 HA LEU 70 HA LEU 70 3.550 -1.866 -4.164 561 HB2 LEU 70 2HB LEU 70 3.605 -4.302 -4.160 562 HB3 LEU 70 1HB LEU 70 4.031 -4.314 -2.460 563 HG LEU 70 HG LEU 70 1.828 -3.323 -1.922 564 HD11 LEU 70 1HD1 LEU 70 0.092 -3.231 -3.619 565 HD12 LEU 70 2HD1 LEU 70 1.239 -3.762 -4.847 566 HD13 LEU 70 3HD1 LEU 70 1.443 -2.192 -4.072 567 HD21 LEU 70 3HD2 LEU 70 0.514 -5.340 -2.377 568 HD22 LEU 70 1HD2 LEU 70 2.143 -5.734 -1.822 569 HD23 LEU 70 2HD2 LEU 70 1.737 -5.868 -3.532 570 H ARG 71 HN ARG 71 5.374 -2.564 -1.229 571 HA ARG 71 HA ARG 71 3.631 -1.457 0.654 572 HB2 ARG 71 2HB ARG 71 5.542 -2.871 1.240 573 HB3 ARG 71 1HB ARG 71 6.651 -1.609 0.721 574 HG2 ARG 71 2HG ARG 71 5.748 -0.137 2.478 575 HG3 ARG 71 1HG ARG 71 4.724 -1.465 3.027 576 HD2 ARG 71 2HD ARG 71 6.774 -1.259 4.361 577 HD3 ARG 71 1HD ARG 71 6.670 -2.806 3.524 578 HE ARG 71 HE ARG 71 8.332 -2.022 1.982 579 HH11 ARG 71 1HH1 ARG 71 7.803 0.046 4.739 580 HH12 ARG 71 2HH1 ARG 71 9.369 0.789 4.655 581 HH21 ARG 71 1HH2 ARG 71 10.393 -1.049 1.844 582 HH22 ARG 71 2HH2 ARG 71 10.853 0.175 2.982 583 H GLY 72 HN GLY 72 6.162 0.032 -1.293 584 HA2 GLY 72 2HA GLY 72 6.190 2.565 -0.076 585 HA3 GLY 72 1HA GLY 72 6.646 2.231 -1.741 586 H ARG 73 HN ARG 73 4.170 1.268 -2.673 587 HA ARG 73 HA ARG 73 2.815 3.731 -3.159 588 HB2 ARG 73 2HB ARG 73 1.931 0.911 -3.800 589 HB3 ARG 73 1HB ARG 73 1.223 2.382 -4.450 590 HG2 ARG 73 2HG ARG 73 3.471 2.907 -5.441 591 HG3 ARG 73 1HG ARG 73 3.973 1.284 -4.963 592 HD2 ARG 73 2HD ARG 73 1.734 2.013 -6.847 593 HD3 ARG 73 1HD ARG 73 3.270 1.261 -7.272 594 HE ARG 73 HE ARG 73 1.945 -0.344 -5.387 595 HH11 ARG 73 1HH1 ARG 73 1.703 0.647 -8.735 596 HH12 ARG 73 2HH1 ARG 73 0.869 -0.789 -9.235 597 HH21 ARG 73 1HH2 ARG 73 0.830 -2.232 -6.043 598 HH22 ARG 73 2HH2 ARG 73 0.370 -2.426 -7.707 599 H ILE 74 HN ILE 74 2.198 0.907 -1.146 600 HA ILE 74 HA ILE 74 -0.366 1.592 -0.225 601 HB ILE 74 HB ILE 74 1.829 0.098 1.231 602 HG12 ILE 74 2HG1 ILE 74 -0.529 -0.919 -0.379 603 HG13 ILE 74 1HG1 ILE 74 1.150 -0.921 -0.914 604 HG21 ILE 74 1HG2 ILE 74 -1.132 0.208 1.805 605 HG22 ILE 74 2HG2 ILE 74 0.144 0.937 2.782 606 HG23 ILE 74 3HG2 ILE 74 0.044 -0.818 2.627 607 HD11 ILE 74 3HD1 ILE 74 1.719 -2.464 0.887 608 HD12 ILE 74 1HD1 ILE 74 0.452 -3.118 -0.151 609 HD13 ILE 74 2HD1 ILE 74 0.041 -2.454 1.431 610 H GLU 75 HN GLU 75 2.863 2.472 0.942 611 HA GLU 75 HA GLU 75 2.150 3.938 3.213 612 HB2 GLU 75 2HB GLU 75 4.507 3.353 2.323 613 HB3 GLU 75 1HB GLU 75 4.355 4.816 1.356 614 HG2 GLU 75 2HG GLU 75 3.719 5.883 3.670 615 HG3 GLU 75 1HG GLU 75 4.617 4.503 4.297 616 H SER 76 HN SER 76 2.356 4.928 -0.180 617 HA SER 76 HA SER 76 1.786 7.651 0.224 618 HB2 SER 76 2HB SER 76 1.271 5.942 -2.201 619 HB3 SER 76 1HB SER 76 1.269 7.701 -2.182 620 HG SER 76 HG SER 76 3.510 6.253 -1.271 621 H VAL 77 HN VAL 77 -0.328 4.874 -0.337 622 HA VAL 77 HA VAL 77 -2.722 6.373 -0.627 623 HB VAL 77 HB VAL 77 -2.393 3.502 0.270 624 HG11 VAL 77 1HG1 VAL 77 -4.596 4.373 0.830 625 HG12 VAL 77 2HG1 VAL 77 -4.708 3.216 -0.496 626 HG13 VAL 77 3HG1 VAL 77 -4.808 4.946 -0.826 627 HG21 VAL 77 3HG2 VAL 77 -2.841 2.931 -2.070 628 HG22 VAL 77 1HG2 VAL 77 -1.377 3.903 -1.912 629 HG23 VAL 77 2HG2 VAL 77 -2.871 4.648 -2.483 630 H LEU 78 HN LEU 78 -1.314 4.628 2.137 631 HA LEU 78 HA LEU 78 -3.354 5.365 3.964 632 HB2 LEU 78 2HB LEU 78 -0.511 4.491 4.461 633 HB3 LEU 78 1HB LEU 78 -1.732 4.659 5.706 634 HG LEU 78 HG LEU 78 -1.818 2.709 3.402 635 HD11 LEU 78 1HD1 LEU 78 -1.355 2.293 6.352 636 HD12 LEU 78 2HD1 LEU 78 -0.159 2.106 5.069 637 HD13 LEU 78 3HD1 LEU 78 -1.540 1.014 5.151 638 HD21 LEU 78 3HD2 LEU 78 -3.783 1.783 4.539 639 HD22 LEU 78 1HD2 LEU 78 -4.054 3.445 4.017 640 HD23 LEU 78 2HD2 LEU 78 -3.718 3.097 5.714 641 H ASP 79 HN ASP 79 -0.339 6.857 2.990 642 HA ASP 79 HA ASP 79 -0.117 8.843 4.957 643 HB2 ASP 79 2HB ASP 79 1.591 8.273 3.211 644 HB3 ASP 79 1HB ASP 79 0.580 9.080 2.021 645 H TRP 80 HN TRP 80 -1.724 8.858 1.815 646 HA TRP 80 HA TRP 80 -2.892 11.401 1.943 647 HB2 TRP 80 2HB TRP 80 -2.749 10.161 -0.130 648 HB3 TRP 80 1HB TRP 80 -3.745 8.869 0.523 649 HD1 TRP 80 1HD TRP 80 -4.080 12.587 -0.528 650 HE1 TRP 80 1HE TRP 80 -6.494 12.954 -1.345 651 HE3 TRP 80 3HE TRP 80 -6.004 7.970 0.529 652 HZ2 TRP 80 2HZ TRP 80 -8.897 11.471 -1.518 653 HZ3 TRP 80 3HZ TRP 80 -8.364 7.524 0.005 654 HH2 TRP 80 2HH TRP 80 -9.780 9.242 -0.998 655 H ALA 81 HN ALA 81 -4.092 8.218 2.951 656 HA ALA 81 HA ALA 81 -6.651 8.997 3.779 657 HB1 ALA 81 1HB ALA 81 -6.667 6.939 5.106 658 HB2 ALA 81 2HB ALA 81 -4.927 6.776 4.875 659 HB3 ALA 81 3HB ALA 81 -6.016 6.661 3.491 660 H THR 82 HN THR 82 -3.557 9.085 5.456 661 HA THR 82 HA THR 82 -4.566 9.683 8.032 662 HB THR 82 HB THR 82 -1.866 10.411 6.877 663 HG1 THR 82 1HG THR 82 -2.143 8.187 6.737 664 HG21 THR 82 3HG2 THR 82 -2.322 11.599 8.950 665 HG22 THR 82 1HG2 THR 82 -1.113 10.345 9.223 666 HG23 THR 82 2HG2 THR 82 -2.780 10.088 9.738 667 H VAL 83 HN VAL 83 -3.412 11.740 5.378 668 HA VAL 83 HA VAL 83 -3.813 14.204 6.733 669 HB VAL 83 HB VAL 83 -3.780 13.693 3.751 670 HG11 VAL 83 1HG1 VAL 83 -4.678 15.894 4.299 671 HG12 VAL 83 2HG1 VAL 83 -3.074 16.044 3.580 672 HG13 VAL 83 3HG1 VAL 83 -3.278 16.227 5.322 673 HG21 VAL 83 3HG2 VAL 83 -1.513 14.390 5.618 674 HG22 VAL 83 1HG2 VAL 83 -1.403 14.273 3.863 675 HG23 VAL 83 2HG2 VAL 83 -1.761 12.835 4.820 676 H ARG 84 HN ARG 84 -5.827 12.216 4.645 677 HA ARG 84 HA ARG 84 -7.973 14.052 4.394 678 HB2 ARG 84 2HB ARG 84 -7.727 11.081 4.014 679 HB3 ARG 84 1HB ARG 84 -9.261 11.912 3.807 680 HG2 ARG 84 2HG ARG 84 -6.755 12.625 2.306 681 HG3 ARG 84 1HG ARG 84 -7.992 11.521 1.703 682 HD2 ARG 84 2HD ARG 84 -8.447 14.397 2.483 683 HD3 ARG 84 1HD ARG 84 -8.265 13.806 0.831 684 HE ARG 84 HE ARG 84 -10.301 12.337 1.522 685 HH11 ARG 84 1HH1 ARG 84 -9.723 15.657 2.467 686 HH12 ARG 84 2HH1 ARG 84 -11.410 16.051 2.600 687 HH21 ARG 84 1HH2 ARG 84 -12.514 12.844 1.670 688 HH22 ARG 84 2HH2 ARG 84 -13.001 14.445 2.144 689 H GLY 85 HN GLY 85 -7.048 11.843 6.899 690 HA2 GLY 85 2HA GLY 85 -7.892 11.992 9.102 691 HA3 GLY 85 1HA GLY 85 -9.336 12.764 8.468 692 H TYR 86 HN TYR 86 -8.118 9.879 6.973 693 HA TYR 86 HA TYR 86 -10.505 8.437 7.808 694 HB2 TYR 86 2HB TYR 86 -8.260 7.523 5.996 695 HB3 TYR 86 1HB TYR 86 -9.813 6.727 6.211 696 HD1 TYR 86 1HD TYR 86 -11.425 9.401 6.196 697 HD2 TYR 86 2HD TYR 86 -8.459 7.758 3.618 698 HE1 TYR 86 1HE TYR 86 -12.338 10.704 4.323 699 HE2 TYR 86 2HE TYR 86 -9.361 9.063 1.740 700 HH TYR 86 HH TYR 86 -11.627 10.109 1.139 701 H ARG 87 HN ARG 87 -7.472 8.961 8.968 702 HA ARG 87 HA ARG 87 -7.718 6.924 10.954 703 HB2 ARG 87 2HB ARG 87 -5.498 5.901 10.561 704 HB3 ARG 87 1HB ARG 87 -6.644 5.556 9.272 705 HG2 ARG 87 2HG ARG 87 -5.588 7.058 7.795 706 HG3 ARG 87 1HG ARG 87 -4.635 7.780 9.094 707 HD2 ARG 87 2HD ARG 87 -3.422 6.156 7.571 708 HD3 ARG 87 1HD ARG 87 -3.280 5.869 9.306 709 HE ARG 87 HE ARG 87 -5.219 4.401 7.645 710 HH11 ARG 87 1HH1 ARG 87 -2.591 4.451 9.967 711 HH12 ARG 87 2HH1 ARG 87 -2.739 2.768 10.357 712 HH21 ARG 87 1HH2 ARG 87 -5.428 2.198 8.166 713 HH22 ARG 87 2HH2 ARG 87 -4.335 1.476 9.315 714 H GLU 88 HN GLU 88 -5.899 7.069 12.535 715 HA GLU 88 HA GLU 88 -4.569 9.675 12.498 716 HB2 GLU 88 2HB GLU 88 -5.099 10.023 14.868 717 HB3 GLU 88 1HB GLU 88 -6.556 9.936 13.897 718 HG2 GLU 88 2HG GLU 88 -5.465 7.667 15.551 719 HG3 GLU 88 1HG GLU 88 -6.728 8.778 16.074 720 H GLY 89 HN GLY 89 -2.863 9.743 14.306 721 HA2 GLY 89 2HA GLY 89 -1.258 8.583 15.615 722 HA3 GLY 89 1HA GLY 89 -1.728 7.089 14.818 723 H ASP 90 HN ASP 90 -0.178 6.302 13.603 724 HA ASP 90 HA ASP 90 1.535 8.147 12.072 725 HB2 ASP 90 2HB ASP 90 2.696 7.172 14.084 726 HB3 ASP 90 1HB ASP 90 2.452 5.574 13.393 727 H ASN 91 HN ASN 91 2.718 6.844 10.275 728 HA ASN 91 HA ASN 91 0.682 5.187 8.972 729 HB2 ASN 91 2HB ASN 91 1.420 7.245 7.758 730 HB3 ASN 91 1HB ASN 91 3.029 6.532 7.623 731 HD21 ASN 91 1HD2 ASN 91 2.713 6.649 5.305 732 HD22 ASN 91 2HD2 ASN 91 1.762 5.448 4.507 733 HA PRO 92 HA PRO 92 3.524 2.008 10.493 734 HB2 PRO 92 2HB PRO 92 1.814 -0.062 9.969 735 HB3 PRO 92 1HB PRO 92 1.699 0.961 11.403 736 HG2 PRO 92 2HG PRO 92 0.199 1.147 8.816 737 HG3 PRO 92 1HG PRO 92 -0.424 1.246 10.476 738 HD2 PRO 92 2HD PRO 92 -0.019 3.447 9.030 739 HD3 PRO 92 1HD PRO 92 0.359 3.417 10.765 740 H ALA 93 HN ALA 93 2.889 2.770 7.355 741 HA ALA 93 HA ALA 93 3.635 0.215 6.182 742 HB1 ALA 93 1HB ALA 93 2.953 2.828 4.852 743 HB2 ALA 93 2HB ALA 93 1.830 1.504 5.165 744 HB3 ALA 93 3HB ALA 93 3.177 1.275 4.049 745 H ARG 94 HN ARG 94 5.173 3.208 7.041 746 HA ARG 94 HA ARG 94 7.211 2.940 5.023 747 HB2 ARG 94 2HB ARG 94 8.265 4.905 6.265 748 HB3 ARG 94 1HB ARG 94 6.745 5.168 5.430 749 HG2 ARG 94 2HG ARG 94 5.547 5.027 7.538 750 HG3 ARG 94 1HG ARG 94 7.062 4.718 8.390 751 HD2 ARG 94 2HD ARG 94 6.178 7.113 8.409 752 HD3 ARG 94 1HD ARG 94 7.871 6.882 7.964 753 HE ARG 94 HE ARG 94 6.277 6.845 5.643 754 HH11 ARG 94 1HH1 ARG 94 7.376 9.094 8.085 755 HH12 ARG 94 2HH1 ARG 94 7.398 10.451 6.995 756 HH21 ARG 94 1HH2 ARG 94 6.335 8.588 4.207 757 HH22 ARG 94 2HH2 ARG 94 6.817 10.168 4.778 758 H TRP 95 HN TRP 95 7.178 2.682 8.581 759 HA TRP 95 HA TRP 95 8.514 1.540 10.026 760 HB2 TRP 95 2HB TRP 95 9.115 0.138 7.471 761 HB3 TRP 95 1HB TRP 95 10.182 -0.144 8.844 762 HD1 TRP 95 1HD TRP 95 8.802 -0.912 11.177 763 HE1 TRP 95 1HE TRP 95 6.891 -2.625 11.363 764 HE3 TRP 95 3HE TRP 95 7.197 -0.861 6.328 765 HZ2 TRP 95 2HZ TRP 95 4.946 -3.786 9.677 766 HZ3 TRP 95 3HZ TRP 95 5.299 -2.296 5.700 767 HH2 TRP 95 2HH TRP 95 4.199 -3.726 7.340 768 H ARG 96 HN ARG 96 10.416 1.864 11.071 769 HA ARG 96 HA ARG 96 12.325 3.688 9.865 770 HB2 ARG 96 2HB ARG 96 11.513 3.852 12.249 771 HB3 ARG 96 1HB ARG 96 12.405 2.377 12.585 772 HG2 ARG 96 2HG ARG 96 14.486 3.488 11.974 773 HG3 ARG 96 1HG ARG 96 13.591 4.971 11.632 774 HD2 ARG 96 2HD ARG 96 12.773 4.907 14.000 775 HD3 ARG 96 1HD ARG 96 13.895 3.578 14.284 776 HE ARG 96 HE ARG 96 15.467 5.539 13.240 777 HH11 ARG 96 1HH1 ARG 96 13.264 5.337 15.957 778 HH12 ARG 96 2HH1 ARG 96 14.054 6.604 16.853 779 HH21 ARG 96 1HH2 ARG 96 16.532 7.163 14.428 780 HH22 ARG 96 2HH2 ARG 96 15.937 7.627 15.995 781 H GLY 97 HN GLY 97 12.006 0.357 10.731 782 HA2 GLY 97 2HA GLY 97 14.233 -0.399 9.076 783 HA3 GLY 97 1HA GLY 97 14.510 -0.686 10.788 784 H TYR 98 HN TYR 98 12.843 -1.705 7.953 785 HA TYR 98 HA TYR 98 10.774 -3.235 9.074 786 HB2 TYR 98 2HB TYR 98 11.077 -2.534 6.643 787 HB3 TYR 98 1HB TYR 98 12.201 -3.876 6.488 788 HD1 TYR 98 2HD TYR 98 11.150 -6.203 7.417 789 HD2 TYR 98 1HD TYR 98 8.924 -2.899 5.933 790 HE1 TYR 98 2HE TYR 98 9.275 -7.707 6.909 791 HE2 TYR 98 1HE TYR 98 7.039 -4.394 5.424 792 HH TYR 98 HH TYR 98 6.852 -7.593 6.579 793 H LEU 99 HN LEU 99 13.833 -4.460 7.667 794 HA LEU 99 HA LEU 99 13.564 -6.815 9.416 795 HB2 LEU 99 2HB LEU 99 14.933 -6.484 6.747 796 HB3 LEU 99 1HB LEU 99 15.084 -7.911 7.746 797 HG LEU 99 HG LEU 99 12.516 -6.892 6.534 798 HD11 LEU 99 1HD1 LEU 99 14.010 -7.787 4.848 799 HD12 LEU 99 2HD1 LEU 99 12.661 -8.889 5.120 800 HD13 LEU 99 3HD1 LEU 99 14.246 -9.250 5.804 801 HD21 LEU 99 3HD2 LEU 99 12.116 -8.027 8.646 802 HD22 LEU 99 1HD2 LEU 99 13.087 -9.399 8.115 803 HD23 LEU 99 2HD2 LEU 99 11.570 -9.025 7.299 804 H GLU 100 HN GLU 100 15.984 -4.713 7.898 805 HA GLU 100 HA GLU 100 17.668 -4.843 10.253 806 HB2 GLU 100 2HB GLU 100 18.250 -6.873 8.982 807 HB3 GLU 100 1HB GLU 100 18.583 -5.892 7.565 808 HG2 GLU 100 2HG GLU 100 20.480 -4.903 8.603 809 HG3 GLU 100 1HG GLU 100 20.070 -5.622 10.162 810 H HIS 101 HN HIS 101 19.347 -3.225 10.211 811 HA HIS 101 HA HIS 101 18.998 -1.213 8.090 812 HB2 HIS 101 2HB HIS 101 17.654 -0.694 10.177 813 HB3 HIS 101 1HB HIS 101 19.183 -0.532 11.030 814 HD1 HIS 101 1HD HIS 101 20.555 1.614 10.618 815 HD2 HIS 101 2HD HIS 101 17.049 1.387 8.380 816 HE1 HIS 101 1HE HIS 101 20.169 3.929 9.713 817 HE2 HIS 101 2HE HIS 101 17.953 3.809 8.518 818 H HIS 102 HN HIS 102 21.035 -2.243 7.378 819 HA HIS 102 HA HIS 102 23.416 -1.634 8.898 820 HB2 HIS 102 2HB HIS 102 22.976 -2.606 6.075 821 HB3 HIS 102 1HB HIS 102 24.571 -2.193 6.687 822 HD1 HIS 102 1HD HIS 102 23.195 -5.065 5.817 823 HD2 HIS 102 2HD HIS 102 24.400 -3.737 9.572 824 HE1 HIS 102 1HE HIS 102 23.664 -7.147 7.157 825 HE2 HIS 102 2HE HIS 102 24.529 -6.317 9.380 826 H HIS 103 HN HIS 103 23.174 0.594 9.263 827 HA HIS 103 HA HIS 103 23.499 2.810 8.857 828 HB2 HIS 103 2HB HIS 103 25.386 1.518 7.321 829 HB3 HIS 103 1HB HIS 103 24.556 2.503 6.123 830 HD1 HIS 103 1HD HIS 103 26.933 2.677 8.954 831 HD2 HIS 103 2HD HIS 103 24.806 5.307 6.527 832 HE1 HIS 103 1HE HIS 103 27.961 4.940 9.335 833 HE2 HIS 103 2HE HIS 103 26.803 6.467 7.690 834 H HIS 104 HN HIS 104 23.203 4.382 6.586 835 HA HIS 104 HA HIS 104 20.830 3.495 5.172 836 HB2 HIS 104 2HB HIS 104 19.896 4.570 7.167 837 HB3 HIS 104 1HB HIS 104 20.837 6.022 6.844 838 HD1 HIS 104 1HD HIS 104 17.879 4.070 5.541 839 HD2 HIS 104 2HD HIS 104 19.728 7.761 5.002 840 HE1 HIS 104 1HE HIS 104 16.301 5.424 4.128 841 HE2 HIS 104 2HE HIS 104 17.346 7.715 3.996 842 H HIS 105 HN HIS 105 20.663 4.354 3.159 843 HA HIS 105 HA HIS 105 22.232 6.687 2.429 844 HB2 HIS 105 2HB HIS 105 23.412 5.555 0.602 845 HB3 HIS 105 1HB HIS 105 23.839 4.840 2.152 846 HD1 HIS 105 1HD HIS 105 23.051 2.401 2.596 847 HD2 HIS 105 2HD HIS 105 22.044 3.872 -1.164 848 HE1 HIS 105 1HE HIS 105 22.336 0.402 1.255 849 HE2 HIS 105 2HE HIS 105 21.588 1.333 -0.967 850 H HIS 106 HN HIS 106 21.767 7.358 0.175 851 HA HIS 106 HA HIS 106 18.982 6.944 -0.451 852 HB2 HIS 106 2HB HIS 106 20.000 9.171 -0.709 853 HB3 HIS 106 1HB HIS 106 21.105 8.531 -1.922 854 HD1 HIS 106 1HD HIS 106 17.580 9.664 -1.431 855 HD2 HIS 106 2HD HIS 106 19.946 8.047 -4.449 856 HE1 HIS 106 1HE HIS 106 16.257 9.928 -3.554 857 HE2 HIS 106 2HE HIS 106 17.613 8.742 -5.319 Start of MODEL 3 1 H1 MET 1 H1 MET 1 -14.688 3.556 6.162 2 H2 MET 1 H2 MET 1 -15.698 2.750 5.056 3 H3 MET 1 H3 MET 1 -15.688 4.446 5.118 4 HA MET 1 HA MET 1 -14.478 3.591 3.208 5 HB2 MET 1 2HB MET 1 -13.871 5.754 4.261 6 HB3 MET 1 1HB MET 1 -12.703 4.910 5.271 7 HG2 MET 1 2HG MET 1 -11.243 5.427 3.674 8 HG3 MET 1 1HG MET 1 -11.966 4.089 2.793 9 HE1 MET 1 2HE MET 1 -14.561 6.003 0.504 10 HE2 MET 1 3HE MET 1 -14.853 5.313 2.100 11 HE3 MET 1 1HE MET 1 -13.897 4.423 0.916 12 H THR 2 HN THR 2 -13.624 1.745 2.527 13 HA THR 2 HA THR 2 -11.871 0.216 4.307 14 HB THR 2 HB THR 2 -12.049 -1.571 2.587 15 HG1 THR 2 1HG THR 2 -14.009 0.129 1.391 16 HG21 THR 2 3HG2 THR 2 -13.599 -1.542 4.483 17 HG22 THR 2 1HG2 THR 2 -14.403 -2.139 3.031 18 HG23 THR 2 2HG2 THR 2 -14.694 -0.494 3.586 19 H PHE 3 HN PHE 3 -9.979 -0.873 3.163 20 HA PHE 3 HA PHE 3 -8.190 1.148 2.386 21 HB2 PHE 3 2HB PHE 3 -7.530 -0.989 3.464 22 HB3 PHE 3 1HB PHE 3 -7.908 -1.835 1.967 23 HD1 PHE 3 2HD PHE 3 -5.734 0.819 3.385 24 HD2 PHE 3 1HD PHE 3 -6.298 -2.054 0.296 25 HE1 PHE 3 2HE PHE 3 -3.445 1.234 2.581 26 HE2 PHE 3 1HE PHE 3 -4.012 -1.641 -0.511 27 HZ PHE 3 HZ PHE 3 -2.580 0.003 0.631 28 H SER 4 HN SER 4 -9.933 -1.291 0.497 29 HA SER 4 HA SER 4 -8.775 -0.724 -1.998 30 HB2 SER 4 2HB SER 4 -11.593 -1.680 -1.448 31 HB3 SER 4 1HB SER 4 -10.718 -1.840 -2.970 32 HG SER 4 HG SER 4 -10.129 -3.067 -0.485 33 H GLU 5 HN GLU 5 -11.698 0.599 -0.473 34 HA GLU 5 HA GLU 5 -12.523 2.241 -2.581 35 HB2 GLU 5 2HB GLU 5 -12.908 2.503 0.399 36 HB3 GLU 5 1HB GLU 5 -13.743 3.490 -0.784 37 HG2 GLU 5 2HG GLU 5 -14.844 1.557 -1.694 38 HG3 GLU 5 1HG GLU 5 -13.919 0.497 -0.634 39 H CYS 6 HN CYS 6 -10.486 2.920 0.228 40 HA CYS 6 HA CYS 6 -10.132 5.673 -0.262 41 HB2 CYS 6 2HB CYS 6 -9.640 4.375 1.877 42 HB3 CYS 6 1HB CYS 6 -8.138 3.880 1.115 43 HG CYS 6 HG CYS 6 -7.678 6.829 0.637 44 H ALA 7 HN ALA 7 -8.114 2.866 -1.021 45 HA ALA 7 HA ALA 7 -6.024 4.157 -2.328 46 HB1 ALA 7 1HB ALA 7 -5.604 2.039 -3.458 47 HB2 ALA 7 2HB ALA 7 -7.213 1.470 -3.017 48 HB3 ALA 7 3HB ALA 7 -6.010 1.766 -1.764 49 H ALA 8 HN ALA 8 -9.085 2.950 -3.638 50 HA ALA 8 HA ALA 8 -8.671 3.669 -6.304 51 HB1 ALA 8 1HB ALA 8 -11.282 3.555 -4.800 52 HB2 ALA 8 2HB ALA 8 -10.481 2.194 -5.588 53 HB3 ALA 8 3HB ALA 8 -11.093 3.540 -6.553 54 H LEU 9 HN LEU 9 -10.029 5.537 -3.608 55 HA LEU 9 HA LEU 9 -10.828 7.792 -5.081 56 HB2 LEU 9 2HB LEU 9 -9.923 7.562 -2.211 57 HB3 LEU 9 1HB LEU 9 -10.627 9.006 -2.901 58 HG LEU 9 HG LEU 9 -12.028 6.343 -2.678 59 HD11 LEU 9 1HD1 LEU 9 -11.690 7.375 -0.502 60 HD12 LEU 9 2HD1 LEU 9 -13.386 7.476 -0.979 61 HD13 LEU 9 3HD1 LEU 9 -12.346 8.897 -1.105 62 HD21 LEU 9 3HD2 LEU 9 -12.761 7.664 -4.600 63 HD22 LEU 9 1HD2 LEU 9 -13.032 9.050 -3.542 64 HD23 LEU 9 2HD2 LEU 9 -14.009 7.594 -3.352 65 H TYR 10 HN TYR 10 -7.778 7.066 -3.430 66 HA TYR 10 HA TYR 10 -6.404 9.437 -3.983 67 HB2 TYR 10 2HB TYR 10 -5.536 7.753 -2.446 68 HB3 TYR 10 1HB TYR 10 -5.361 6.601 -3.761 69 HD1 TYR 10 2HD TYR 10 -4.054 9.771 -2.381 70 HD2 TYR 10 1HD TYR 10 -3.427 6.593 -5.126 71 HE1 TYR 10 2HE TYR 10 -1.749 10.547 -2.740 72 HE2 TYR 10 1HE TYR 10 -1.120 7.352 -5.493 73 HH TYR 10 HH TYR 10 0.229 9.353 -5.279 74 H ILE 11 HN ILE 11 -6.616 6.430 -5.801 75 HA ILE 11 HA ILE 11 -5.015 7.131 -7.983 76 HB ILE 11 HB ILE 11 -7.362 5.237 -7.828 77 HG12 ILE 11 2HG1 ILE 11 -4.394 4.677 -7.794 78 HG13 ILE 11 1HG1 ILE 11 -5.386 4.801 -6.347 79 HG21 ILE 11 1HG2 ILE 11 -6.994 5.858 -10.144 80 HG22 ILE 11 2HG2 ILE 11 -6.459 4.201 -9.866 81 HG23 ILE 11 3HG2 ILE 11 -5.273 5.500 -9.988 82 HD11 ILE 11 3HD1 ILE 11 -5.008 2.490 -6.962 83 HD12 ILE 11 1HD1 ILE 11 -5.720 2.782 -8.550 84 HD13 ILE 11 2HD1 ILE 11 -6.717 2.904 -7.101 85 H LYS 12 HN LYS 12 -8.537 7.399 -7.558 86 HA LYS 12 HA LYS 12 -9.112 8.480 -10.088 87 HB2 LYS 12 2HB LYS 12 -10.567 8.794 -7.458 88 HB3 LYS 12 1HB LYS 12 -11.220 9.275 -9.016 89 HG2 LYS 12 2HG LYS 12 -11.340 7.036 -9.762 90 HG3 LYS 12 1HG LYS 12 -10.371 6.458 -8.404 91 HD2 LYS 12 2HD LYS 12 -12.161 7.126 -6.859 92 HD3 LYS 12 1HD LYS 12 -13.127 7.678 -8.229 93 HE2 LYS 12 2HE LYS 12 -13.202 5.418 -9.116 94 HE3 LYS 12 1HE LYS 12 -12.173 4.847 -7.803 95 HZ1 LYS 12 3HZ LYS 12 -14.829 6.105 -7.378 96 HZ2 LYS 12 1HZ LYS 12 -13.880 5.297 -6.226 97 HZ3 LYS 12 2HZ LYS 12 -14.596 4.428 -7.498 98 H ALA 13 HN ALA 13 -8.207 10.006 -7.044 99 HA ALA 13 HA ALA 13 -8.844 12.654 -7.818 100 HB1 ALA 13 1HB ALA 13 -7.593 13.333 -5.844 101 HB2 ALA 13 2HB ALA 13 -6.915 11.712 -5.702 102 HB3 ALA 13 3HB ALA 13 -8.646 11.965 -5.480 103 H HIS 14 HN HIS 14 -6.085 10.639 -8.454 104 HA HIS 14 HA HIS 14 -4.670 13.000 -9.529 105 HB2 HIS 14 2HB HIS 14 -3.737 11.789 -7.411 106 HB3 HIS 14 1HB HIS 14 -3.212 10.557 -8.554 107 HD1 HIS 14 1HD HIS 14 -0.980 10.939 -9.594 108 HD2 HIS 14 2HD HIS 14 -2.622 14.441 -8.066 109 HE1 HIS 14 1HE HIS 14 0.814 12.687 -9.828 110 HE2 HIS 14 2HE HIS 14 -0.221 14.816 -8.961 111 H ARG 15 HN ARG 15 -6.515 10.945 -10.767 112 HA ARG 15 HA ARG 15 -4.862 9.185 -12.301 113 HB2 ARG 15 2HB ARG 15 -6.875 8.353 -13.247 114 HB3 ARG 15 1HB ARG 15 -7.220 8.691 -11.558 115 HG2 ARG 15 2HG ARG 15 -8.177 10.897 -12.339 116 HG3 ARG 15 1HG ARG 15 -8.062 10.256 -13.975 117 HD2 ARG 15 2HD ARG 15 -9.727 9.261 -11.684 118 HD3 ARG 15 1HD ARG 15 -10.270 9.829 -13.258 119 HE ARG 15 HE ARG 15 -8.613 7.516 -13.499 120 HH11 ARG 15 1HH1 ARG 15 -11.879 8.616 -12.863 121 HH12 ARG 15 2HH1 ARG 15 -12.592 7.047 -13.092 122 HH21 ARG 15 1HH2 ARG 15 -9.556 5.443 -13.809 123 HH22 ARG 15 2HH2 ARG 15 -11.275 5.260 -13.635 124 H SER 16 HN SER 16 -6.355 12.311 -12.824 125 HA SER 16 HA SER 16 -5.998 12.399 -15.629 126 HB2 SER 16 2HB SER 16 -6.228 14.663 -13.638 127 HB3 SER 16 1HB SER 16 -6.502 14.763 -15.370 128 HG SER 16 HG SER 16 -8.493 14.295 -14.879 129 H SER 17 HN SER 17 -3.912 12.897 -12.939 130 HA SER 17 HA SER 17 -1.925 14.385 -14.392 131 HB2 SER 17 2HB SER 17 -2.334 14.443 -11.862 132 HB3 SER 17 1HB SER 17 -1.505 12.890 -11.804 133 HG SER 17 HG SER 17 -0.466 15.351 -11.920 134 H TRP 18 HN TRP 18 -2.731 11.075 -13.829 135 HA TRP 18 HA TRP 18 -0.204 10.113 -14.941 136 HB2 TRP 18 2HB TRP 18 -2.606 8.570 -13.927 137 HB3 TRP 18 1HB TRP 18 -1.083 7.861 -14.449 138 HD1 TRP 18 1HD TRP 18 0.866 9.887 -12.857 139 HE1 TRP 18 1HE TRP 18 1.054 9.662 -10.291 140 HE3 TRP 18 3HE TRP 18 -3.503 7.389 -11.945 141 HZ2 TRP 18 2HZ TRP 18 -0.460 8.568 -8.176 142 HZ3 TRP 18 3HZ TRP 18 -4.056 6.789 -9.626 143 HH2 TRP 18 2HH TRP 18 -2.567 7.367 -7.779 144 H LYS 19 HN LYS 19 -1.448 11.614 -16.756 145 HA LYS 19 HA LYS 19 -2.767 9.737 -18.580 146 HB2 LYS 19 2HB LYS 19 -4.188 11.672 -17.449 147 HB3 LYS 19 1HB LYS 19 -3.385 12.668 -18.654 148 HG2 LYS 19 2HG LYS 19 -5.475 12.031 -19.559 149 HG3 LYS 19 1HG LYS 19 -4.245 11.079 -20.397 150 HD2 LYS 19 2HD LYS 19 -4.708 9.196 -18.878 151 HD3 LYS 19 1HD LYS 19 -5.979 10.151 -18.110 152 HE2 LYS 19 2HE LYS 19 -7.134 10.299 -20.293 153 HE3 LYS 19 1HE LYS 19 -5.895 9.249 -20.985 154 HZ1 LYS 19 3HZ LYS 19 -6.535 7.596 -19.240 155 HZ2 LYS 19 1HZ LYS 19 -7.716 7.884 -20.424 156 HZ3 LYS 19 2HZ LYS 19 -7.869 8.575 -18.883 157 H ASN 20 HN ASN 20 -0.480 10.484 -20.899 158 HA ASN 20 HA ASN 20 -2.875 9.174 -19.861 159 HB2 ASN 20 2HB ASN 20 -3.205 10.090 -22.122 160 HB3 ASN 20 1HB ASN 20 -1.815 9.177 -22.699 161 HD21 ASN 20 1HD2 ASN 20 -2.823 7.896 -24.135 162 HD22 ASN 20 2HD2 ASN 20 -4.025 6.719 -23.716 163 H THR 21 HN THR 21 -1.744 7.852 -18.439 164 HA THR 21 HA THR 21 -0.294 5.668 -19.756 165 HB THR 21 HB THR 21 1.122 5.546 -17.614 166 HG1 THR 21 1HG THR 21 0.386 8.296 -17.478 167 HG21 THR 21 3HG2 THR 21 1.516 7.854 -19.521 168 HG22 THR 21 1HG2 THR 21 2.037 6.190 -19.787 169 HG23 THR 21 2HG2 THR 21 2.760 7.145 -18.493 170 H LYS 22 HN LYS 22 -0.228 3.675 -18.437 171 HA LYS 22 HA LYS 22 -2.794 3.336 -17.087 172 HB2 LYS 22 2HB LYS 22 -0.819 1.394 -18.249 173 HB3 LYS 22 1HB LYS 22 -2.157 0.882 -17.233 174 HG2 LYS 22 2HG LYS 22 -3.720 1.960 -18.831 175 HG3 LYS 22 1HG LYS 22 -2.342 2.316 -19.875 176 HD2 LYS 22 2HD LYS 22 -3.476 0.299 -20.622 177 HD3 LYS 22 1HD LYS 22 -1.861 -0.091 -20.028 178 HE2 LYS 22 2HE LYS 22 -3.399 -1.739 -19.207 179 HE3 LYS 22 1HE LYS 22 -2.876 -0.735 -17.857 180 HZ1 LYS 22 3HZ LYS 22 -5.470 -0.606 -19.296 181 HZ2 LYS 22 1HZ LYS 22 -4.964 0.559 -18.168 182 HZ3 LYS 22 2HZ LYS 22 -5.209 -1.043 -17.675 183 H HIS 23 HN HIS 23 -0.542 4.636 -15.764 184 HA HIS 23 HA HIS 23 0.515 2.930 -13.779 185 HB2 HIS 23 2HB HIS 23 0.057 5.914 -13.821 186 HB3 HIS 23 1HB HIS 23 0.740 5.095 -12.422 187 HD1 HIS 23 1HD HIS 23 3.139 4.036 -12.726 188 HD2 HIS 23 2HD HIS 23 1.792 6.333 -15.925 189 HE1 HIS 23 1HE HIS 23 5.172 4.506 -14.131 190 HE2 HIS 23 2HE HIS 23 4.323 5.818 -16.112 191 H ALA 24 HN ALA 24 -2.462 4.813 -13.969 192 HA ALA 24 HA ALA 24 -3.390 4.368 -11.357 193 HB1 ALA 24 1HB ALA 24 -5.597 4.935 -12.230 194 HB2 ALA 24 2HB ALA 24 -4.999 4.757 -13.881 195 HB3 ALA 24 3HB ALA 24 -4.366 6.040 -12.846 196 H ASP 25 HN ASP 25 -3.664 2.489 -14.315 197 HA ASP 25 HA ASP 25 -5.339 0.429 -13.380 198 HB2 ASP 25 2HB ASP 25 -4.750 0.759 -15.768 199 HB3 ASP 25 1HB ASP 25 -3.098 0.266 -15.417 200 H GLN 26 HN GLN 26 -1.801 0.682 -13.532 201 HA GLN 26 HA GLN 26 -1.216 -1.800 -12.409 202 HB2 GLN 26 2HB GLN 26 0.345 0.769 -12.568 203 HB3 GLN 26 1HB GLN 26 1.020 -0.704 -11.898 204 HG2 GLN 26 2HG GLN 26 -0.077 -0.448 -14.684 205 HG3 GLN 26 1HG GLN 26 1.626 -0.307 -14.259 206 HE21 GLN 26 1HE2 GLN 26 2.215 -2.057 -15.519 207 HE22 GLN 26 2HE2 GLN 26 1.831 -3.683 -15.084 208 H TRP 27 HN TRP 27 -1.712 1.351 -10.859 209 HA TRP 27 HA TRP 27 -0.988 0.639 -8.252 210 HB2 TRP 27 2HB TRP 27 -2.820 2.686 -9.424 211 HB3 TRP 27 1HB TRP 27 -2.900 2.393 -7.691 212 HD1 TRP 27 1HD TRP 27 -0.203 3.308 -10.332 213 HE1 TRP 27 1HE TRP 27 1.509 4.875 -9.211 214 HE3 TRP 27 3HE TRP 27 -2.121 3.311 -5.600 215 HZ2 TRP 27 2HZ TRP 27 1.971 5.968 -6.636 216 HZ3 TRP 27 3HZ TRP 27 -0.994 4.638 -3.865 217 HH2 TRP 27 2HH TRP 27 1.009 5.939 -4.372 218 H THR 28 HN THR 28 -4.160 0.496 -9.831 219 HA THR 28 HA THR 28 -5.509 -0.671 -7.622 220 HB THR 28 HB THR 28 -6.348 -0.912 -10.514 221 HG1 THR 28 1HG THR 28 -5.965 1.269 -10.242 222 HG21 THR 28 3HG2 THR 28 -7.678 -2.153 -8.866 223 HG22 THR 28 1HG2 THR 28 -8.603 -0.830 -9.579 224 HG23 THR 28 2HG2 THR 28 -7.933 -0.664 -7.955 225 H ASN 29 HN ASN 29 -4.084 -1.955 -10.575 226 HA ASN 29 HA ASN 29 -5.117 -4.534 -10.516 227 HB2 ASN 29 2HB ASN 29 -3.744 -3.173 -12.301 228 HB3 ASN 29 1HB ASN 29 -2.368 -3.992 -11.577 229 HD21 ASN 29 1HD2 ASN 29 -3.599 -4.135 -14.246 230 HD22 ASN 29 2HD2 ASN 29 -3.926 -5.824 -14.513 231 H THR 30 HN THR 30 -2.069 -3.306 -9.128 232 HA THR 30 HA THR 30 -1.164 -5.872 -8.282 233 HB THR 30 HB THR 30 -0.333 -3.239 -7.061 234 HG1 THR 30 1HG THR 30 -0.059 -4.059 -9.620 235 HG21 THR 30 3HG2 THR 30 0.466 -5.235 -5.914 236 HG22 THR 30 1HG2 THR 30 1.799 -4.415 -6.726 237 HG23 THR 30 2HG2 THR 30 1.098 -5.870 -7.432 238 H ILE 31 HN ILE 31 -2.702 -3.155 -6.579 239 HA ILE 31 HA ILE 31 -2.644 -4.348 -4.026 240 HB ILE 31 HB ILE 31 -4.430 -2.158 -5.100 241 HG12 ILE 31 2HG1 ILE 31 -1.911 -2.051 -3.423 242 HG13 ILE 31 1HG1 ILE 31 -2.011 -1.664 -5.138 243 HG21 ILE 31 1HG2 ILE 31 -4.851 -1.577 -2.755 244 HG22 ILE 31 2HG2 ILE 31 -3.941 -2.997 -2.246 245 HG23 ILE 31 3HG2 ILE 31 -5.446 -3.193 -3.140 246 HD11 ILE 31 3HD1 ILE 31 -3.515 0.197 -4.614 247 HD12 ILE 31 1HD1 ILE 31 -1.958 0.349 -3.797 248 HD13 ILE 31 2HD1 ILE 31 -3.377 -0.190 -2.899 249 H LYS 32 HN LYS 32 -5.096 -4.279 -6.561 250 HA LYS 32 HA LYS 32 -7.201 -5.485 -5.176 251 HB2 LYS 32 2HB LYS 32 -7.308 -4.435 -7.460 252 HB3 LYS 32 1HB LYS 32 -6.505 -5.861 -8.095 253 HG2 LYS 32 2HG LYS 32 -8.380 -7.247 -7.389 254 HG3 LYS 32 1HG LYS 32 -9.195 -5.821 -6.739 255 HD2 LYS 32 2HD LYS 32 -9.209 -4.829 -8.988 256 HD3 LYS 32 1HD LYS 32 -8.423 -6.277 -9.620 257 HE2 LYS 32 2HE LYS 32 -10.356 -7.614 -8.886 258 HE3 LYS 32 1HE LYS 32 -11.142 -6.140 -8.323 259 HZ1 LYS 32 3HZ LYS 32 -10.386 -6.770 -11.126 260 HZ2 LYS 32 1HZ LYS 32 -11.056 -5.297 -10.611 261 HZ3 LYS 32 2HZ LYS 32 -11.958 -6.731 -10.494 262 H THR 33 HN THR 33 -4.386 -6.850 -6.762 263 HA THR 33 HA THR 33 -5.375 -9.554 -6.613 264 HB THR 33 HB THR 33 -2.657 -8.476 -7.385 265 HG1 THR 33 1HG THR 33 -4.008 -7.839 -8.965 266 HG21 THR 33 3HG2 THR 33 -2.281 -10.670 -8.405 267 HG22 THR 33 1HG2 THR 33 -3.825 -11.236 -7.776 268 HG23 THR 33 2HG2 THR 33 -2.522 -10.814 -6.666 269 H TYR 34 HN TYR 34 -2.635 -7.795 -5.108 270 HA TYR 34 HA TYR 34 -2.039 -10.084 -3.457 271 HB2 TYR 34 2HB TYR 34 -0.801 -7.344 -3.640 272 HB3 TYR 34 1HB TYR 34 -0.251 -8.574 -2.507 273 HD1 TYR 34 1HD TYR 34 0.649 -10.749 -3.413 274 HD2 TYR 34 2HD TYR 34 -0.134 -7.394 -5.911 275 HE1 TYR 34 1HE TYR 34 2.079 -11.724 -5.159 276 HE2 TYR 34 2HE TYR 34 1.293 -8.364 -7.664 277 HH TYR 34 HH TYR 34 2.332 -11.567 -7.639 278 H CYS 35 HN CYS 35 -3.222 -6.785 -2.829 279 HA CYS 35 HA CYS 35 -3.338 -7.350 0.011 280 HB2 CYS 35 2HB CYS 35 -4.126 -4.859 -1.512 281 HB3 CYS 35 1HB CYS 35 -3.974 -4.994 0.239 282 HG CYS 35 HG CYS 35 -1.132 -5.896 -0.366 283 H GLY 36 HN GLY 36 -5.483 -7.152 -2.688 284 HA2 GLY 36 2HA GLY 36 -7.933 -6.561 -1.681 285 HA3 GLY 36 1HA GLY 36 -7.678 -7.750 -2.942 286 HA PRO 37 HA PRO 37 -9.039 -11.196 -0.638 287 HB2 PRO 37 2HB PRO 37 -6.297 -12.278 -0.235 288 HB3 PRO 37 1HB PRO 37 -7.727 -13.056 -0.919 289 HG2 PRO 37 2HG PRO 37 -5.772 -12.232 -2.508 290 HG3 PRO 37 1HG PRO 37 -7.467 -12.018 -2.984 291 HD2 PRO 37 2HD PRO 37 -5.530 -10.007 -1.916 292 HD3 PRO 37 1HD PRO 37 -6.768 -9.825 -3.175 293 H VAL 38 HN VAL 38 -6.559 -9.310 0.908 294 HA VAL 38 HA VAL 38 -7.357 -10.480 3.493 295 HB VAL 38 HB VAL 38 -4.706 -9.155 2.922 296 HG11 VAL 38 1HG1 VAL 38 -4.041 -10.133 5.076 297 HG12 VAL 38 2HG1 VAL 38 -5.682 -10.744 5.296 298 HG13 VAL 38 3HG1 VAL 38 -5.386 -9.006 5.252 299 HG21 VAL 38 3HG2 VAL 38 -4.883 -11.237 1.665 300 HG22 VAL 38 1HG2 VAL 38 -5.345 -12.096 3.134 301 HG23 VAL 38 2HG2 VAL 38 -3.733 -11.398 2.992 302 H ILE 39 HN ILE 39 -5.636 -7.481 2.574 303 HA ILE 39 HA ILE 39 -7.131 -6.136 4.691 304 HB ILE 39 HB ILE 39 -5.484 -4.309 4.448 305 HG12 ILE 39 2HG1 ILE 39 -4.166 -6.150 2.436 306 HG13 ILE 39 1HG1 ILE 39 -4.974 -4.636 2.051 307 HG21 ILE 39 1HG2 ILE 39 -3.574 -5.544 5.368 308 HG22 ILE 39 2HG2 ILE 39 -4.296 -7.056 4.815 309 HG23 ILE 39 3HG2 ILE 39 -5.104 -6.093 6.053 310 HD11 ILE 39 3HD1 ILE 39 -2.544 -4.406 2.093 311 HD12 ILE 39 1HD1 ILE 39 -2.527 -4.908 3.784 312 HD13 ILE 39 2HD1 ILE 39 -3.320 -3.403 3.320 313 H GLY 40 HN GLY 40 -7.502 -6.544 1.459 314 HA2 GLY 40 2HA GLY 40 -8.020 -4.018 0.414 315 HA3 GLY 40 1HA GLY 40 -8.795 -5.496 -0.119 316 HA PRO 41 HA PRO 41 -12.586 -4.187 1.695 317 HB2 PRO 41 2HB PRO 41 -13.181 -6.621 3.137 318 HB3 PRO 41 1HB PRO 41 -13.834 -6.066 1.595 319 HG2 PRO 41 2HG PRO 41 -12.184 -8.226 1.848 320 HG3 PRO 41 1HG PRO 41 -12.300 -7.242 0.378 321 HD2 PRO 41 2HD PRO 41 -10.236 -7.167 2.552 322 HD3 PRO 41 1HD PRO 41 -10.027 -7.045 0.789 323 H LEU 42 HN LEU 42 -10.037 -4.627 3.716 324 HA LEU 42 HA LEU 42 -11.471 -4.315 6.212 325 HB2 LEU 42 2HB LEU 42 -8.517 -4.169 5.595 326 HB3 LEU 42 1HB LEU 42 -9.205 -4.036 7.201 327 HG LEU 42 HG LEU 42 -9.286 -6.461 5.410 328 HD11 LEU 42 1HD1 LEU 42 -7.904 -7.477 7.129 329 HD12 LEU 42 2HD1 LEU 42 -7.924 -5.974 8.053 330 HD13 LEU 42 3HD1 LEU 42 -7.126 -6.030 6.483 331 HD21 LEU 42 3HD2 LEU 42 -11.367 -6.238 6.686 332 HD22 LEU 42 1HD2 LEU 42 -10.431 -6.089 8.177 333 HD23 LEU 42 2HD2 LEU 42 -10.392 -7.595 7.257 334 H SER 43 HN SER 43 -11.568 -2.434 7.431 335 HA SER 43 HA SER 43 -11.869 -0.026 6.104 336 HB2 SER 43 2HB SER 43 -11.291 -0.427 9.039 337 HB3 SER 43 1HB SER 43 -12.222 0.854 8.289 338 HG SER 43 HG SER 43 -13.862 -0.386 8.661 339 H VAL 44 HN VAL 44 -10.554 1.754 5.829 340 HA VAL 44 HA VAL 44 -7.744 1.328 5.772 341 HB VAL 44 HB VAL 44 -8.995 2.837 4.220 342 HG11 VAL 44 1HG1 VAL 44 -9.019 4.738 6.560 343 HG12 VAL 44 2HG1 VAL 44 -10.428 3.936 5.870 344 HG13 VAL 44 3HG1 VAL 44 -9.526 5.108 4.912 345 HG21 VAL 44 3HG2 VAL 44 -6.692 4.112 5.689 346 HG22 VAL 44 1HG2 VAL 44 -7.254 4.545 4.075 347 HG23 VAL 44 2HG2 VAL 44 -6.571 2.947 4.370 348 H GLN 45 HN GLN 45 -9.870 2.319 8.204 349 HA GLN 45 HA GLN 45 -7.897 3.721 9.798 350 HB2 GLN 45 2HB GLN 45 -10.418 4.223 9.678 351 HB3 GLN 45 1HB GLN 45 -10.641 2.788 10.663 352 HG2 GLN 45 2HG GLN 45 -8.864 5.039 11.537 353 HG3 GLN 45 1HG GLN 45 -10.602 5.064 11.817 354 HE21 GLN 45 1HE2 GLN 45 -8.441 5.033 13.750 355 HE22 GLN 45 2HE2 GLN 45 -8.658 3.611 14.706 356 H ASP 46 HN ASP 46 -8.980 0.536 9.243 357 HA ASP 46 HA ASP 46 -8.240 -0.439 11.896 358 HB2 ASP 46 2HB ASP 46 -10.377 -1.138 10.735 359 HB3 ASP 46 1HB ASP 46 -9.377 -2.017 9.584 360 H VAL 47 HN VAL 47 -7.187 -0.515 8.571 361 HA VAL 47 HA VAL 47 -5.512 -2.716 8.527 362 HB VAL 47 HB VAL 47 -5.086 -0.076 7.118 363 HG11 VAL 47 1HG1 VAL 47 -3.906 -2.793 6.544 364 HG12 VAL 47 2HG1 VAL 47 -3.033 -1.372 7.119 365 HG13 VAL 47 3HG1 VAL 47 -3.753 -1.373 5.510 366 HG21 VAL 47 3HG2 VAL 47 -6.160 -1.176 5.213 367 HG22 VAL 47 1HG2 VAL 47 -7.240 -1.081 6.604 368 HG23 VAL 47 2HG2 VAL 47 -6.448 -2.606 6.206 369 H ASP 48 HN ASP 48 -4.034 -3.219 9.963 370 HA ASP 48 HA ASP 48 -2.261 -1.161 11.065 371 HB2 ASP 48 2HB ASP 48 -2.908 -3.975 11.914 372 HB3 ASP 48 1HB ASP 48 -1.482 -3.147 12.518 373 H THR 49 HN THR 49 0.026 -1.988 11.478 374 HA THR 49 HA THR 49 1.303 -2.756 9.074 375 HB THR 49 HB THR 49 2.506 -3.064 11.826 376 HG1 THR 49 1HG THR 49 2.672 -0.921 11.985 377 HG21 THR 49 3HG2 THR 49 4.555 -2.350 10.634 378 HG22 THR 49 1HG2 THR 49 3.636 -2.298 9.130 379 HG23 THR 49 2HG2 THR 49 3.873 -3.832 9.968 380 H LYS 50 HN LYS 50 0.265 -4.452 11.965 381 HA LYS 50 HA LYS 50 1.378 -6.966 11.644 382 HB2 LYS 50 2HB LYS 50 0.085 -6.276 13.604 383 HB3 LYS 50 1HB LYS 50 -1.378 -6.207 12.638 384 HG2 LYS 50 2HG LYS 50 -1.001 -8.687 12.196 385 HG3 LYS 50 1HG LYS 50 0.176 -8.620 13.509 386 HD2 LYS 50 2HD LYS 50 -2.731 -7.838 13.721 387 HD3 LYS 50 1HD LYS 50 -2.039 -9.356 14.291 388 HE2 LYS 50 2HE LYS 50 -1.165 -6.636 15.259 389 HE3 LYS 50 1HE LYS 50 -2.388 -7.617 16.062 390 HZ1 LYS 50 3HZ LYS 50 -0.796 -9.291 16.522 391 HZ2 LYS 50 1HZ LYS 50 -0.106 -7.818 16.995 392 HZ3 LYS 50 2HZ LYS 50 0.380 -8.555 15.550 393 H LEU 51 HN LEU 51 -1.633 -5.692 10.330 394 HA LEU 51 HA LEU 51 -2.501 -8.065 9.089 395 HB2 LEU 51 2HB LEU 51 -3.149 -5.193 8.429 396 HB3 LEU 51 1HB LEU 51 -4.049 -6.586 7.880 397 HG LEU 51 HG LEU 51 -3.788 -5.632 10.722 398 HD11 LEU 51 1HD1 LEU 51 -6.161 -5.196 10.573 399 HD12 LEU 51 2HD1 LEU 51 -6.189 -5.790 8.913 400 HD13 LEU 51 3HD1 LEU 51 -5.306 -4.317 9.305 401 HD21 LEU 51 3HD2 LEU 51 -5.344 -7.437 11.284 402 HD22 LEU 51 1HD2 LEU 51 -3.815 -8.060 10.663 403 HD23 LEU 51 2HD2 LEU 51 -5.245 -8.033 9.626 404 H ILE 52 HN ILE 52 -0.611 -5.327 7.953 405 HA ILE 52 HA ILE 52 -0.503 -6.141 5.237 406 HB ILE 52 HB ILE 52 1.242 -4.246 6.809 407 HG12 ILE 52 2HG1 ILE 52 -1.006 -3.763 4.842 408 HG13 ILE 52 1HG1 ILE 52 -1.146 -3.637 6.592 409 HG21 ILE 52 1HG2 ILE 52 1.153 -4.759 3.839 410 HG22 ILE 52 2HG2 ILE 52 2.520 -5.018 4.926 411 HG23 ILE 52 3HG2 ILE 52 1.952 -3.381 4.597 412 HD11 ILE 52 3HD1 ILE 52 0.575 -1.922 4.819 413 HD12 ILE 52 1HD1 ILE 52 0.465 -1.798 6.574 414 HD13 ILE 52 2HD1 ILE 52 -0.946 -1.455 5.577 415 H MET 53 HN MET 53 1.513 -6.780 8.053 416 HA MET 53 HA MET 53 3.772 -7.870 6.852 417 HB2 MET 53 2HB MET 53 2.387 -8.706 9.407 418 HB3 MET 53 1HB MET 53 3.978 -9.267 8.925 419 HG2 MET 53 2HG MET 53 4.843 -7.012 9.040 420 HG3 MET 53 1HG MET 53 3.238 -6.397 9.433 421 HE1 MET 53 3HE MET 53 5.831 -5.756 11.184 422 HE2 MET 53 1HE MET 53 5.176 -5.956 12.811 423 HE3 MET 53 2HE MET 53 4.217 -5.152 11.565 424 H LYS 54 HN LYS 54 0.679 -9.397 7.626 425 HA LYS 54 HA LYS 54 1.423 -12.021 6.915 426 HB2 LYS 54 2HB LYS 54 -1.328 -10.768 6.909 427 HB3 LYS 54 1HB LYS 54 -0.983 -12.492 6.899 428 HG2 LYS 54 2HG LYS 54 0.121 -12.251 9.094 429 HG3 LYS 54 1HG LYS 54 -0.337 -10.547 9.105 430 HD2 LYS 54 2HD LYS 54 -1.920 -11.832 10.413 431 HD3 LYS 54 1HD LYS 54 -2.709 -11.206 8.963 432 HE2 LYS 54 2HE LYS 54 -3.347 -13.525 9.399 433 HE3 LYS 54 1HE LYS 54 -2.463 -13.379 7.882 434 HZ1 LYS 54 3HZ LYS 54 -0.458 -14.131 9.044 435 HZ2 LYS 54 1HZ LYS 54 -1.697 -15.284 9.128 436 HZ3 LYS 54 2HZ LYS 54 -1.348 -14.320 10.472 437 H VAL 55 HN VAL 55 0.059 -9.360 5.077 438 HA VAL 55 HA VAL 55 -0.514 -10.838 2.715 439 HB VAL 55 HB VAL 55 0.017 -7.873 2.979 440 HG11 VAL 55 1HG1 VAL 55 -1.489 -9.426 0.877 441 HG12 VAL 55 2HG1 VAL 55 0.087 -8.659 0.676 442 HG13 VAL 55 3HG1 VAL 55 -1.347 -7.669 0.959 443 HG21 VAL 55 3HG2 VAL 55 -2.420 -7.629 3.175 444 HG22 VAL 55 1HG2 VAL 55 -1.739 -8.556 4.514 445 HG23 VAL 55 2HG2 VAL 55 -2.583 -9.385 3.205 446 H LEU 56 HN LEU 56 2.266 -9.026 3.873 447 HA LEU 56 HA LEU 56 3.628 -9.072 1.351 448 HB2 LEU 56 2HB LEU 56 4.535 -8.290 4.112 449 HB3 LEU 56 1HB LEU 56 5.547 -8.165 2.688 450 HG LEU 56 HG LEU 56 2.966 -6.681 3.176 451 HD11 LEU 56 1HD1 LEU 56 5.829 -5.752 3.051 452 HD12 LEU 56 2HD1 LEU 56 4.826 -5.858 4.496 453 HD13 LEU 56 3HD1 LEU 56 4.415 -4.713 3.222 454 HD21 LEU 56 3HD2 LEU 56 4.853 -6.585 0.820 455 HD22 LEU 56 1HD2 LEU 56 3.490 -5.497 1.086 456 HD23 LEU 56 2HD2 LEU 56 3.207 -7.216 0.814 457 H ASP 57 HN ASP 57 3.432 -11.199 4.037 458 HA ASP 57 HA ASP 57 5.882 -12.360 4.270 459 HB2 ASP 57 2HB ASP 57 3.780 -12.958 5.540 460 HB3 ASP 57 1HB ASP 57 3.362 -14.006 4.209 461 HA PRO 58 HA PRO 58 5.187 -15.497 0.694 462 HB2 PRO 58 2HB PRO 58 3.154 -15.082 -1.049 463 HB3 PRO 58 1HB PRO 58 2.970 -16.036 0.427 464 HG2 PRO 58 2HG PRO 58 2.199 -13.193 -0.102 465 HG3 PRO 58 1HG PRO 58 1.301 -14.454 0.764 466 HD2 PRO 58 2HD PRO 58 2.716 -12.517 2.033 467 HD3 PRO 58 1HD PRO 58 2.495 -14.140 2.707 468 H ILE 59 HN ILE 59 4.963 -12.109 0.403 469 HA ILE 59 HA ILE 59 5.812 -12.035 -2.377 470 HB ILE 59 HB ILE 59 5.509 -9.736 -0.435 471 HG12 ILE 59 2HG1 ILE 59 3.557 -10.814 -2.480 472 HG13 ILE 59 1HG1 ILE 59 3.393 -10.961 -0.735 473 HG21 ILE 59 1HG2 ILE 59 5.383 -8.364 -2.466 474 HG22 ILE 59 2HG2 ILE 59 5.677 -9.799 -3.446 475 HG23 ILE 59 3HG2 ILE 59 6.926 -9.213 -2.347 476 HD11 ILE 59 3HD1 ILE 59 3.381 -8.386 -2.294 477 HD12 ILE 59 1HD1 ILE 59 3.206 -8.537 -0.546 478 HD13 ILE 59 2HD1 ILE 59 1.972 -9.200 -1.617 479 H TRP 60 HN TRP 60 7.141 -11.543 0.849 480 HA TRP 60 HA TRP 60 9.630 -10.453 0.165 481 HB2 TRP 60 2HB TRP 60 8.901 -12.292 2.452 482 HB3 TRP 60 1HB TRP 60 10.449 -11.477 2.307 483 HD1 TRP 60 1HD TRP 60 7.268 -11.103 3.991 484 HE1 TRP 60 1HE TRP 60 6.899 -8.691 4.793 485 HE3 TRP 60 3HE TRP 60 10.902 -8.773 1.252 486 HZ2 TRP 60 2HZ TRP 60 7.996 -6.132 4.324 487 HZ3 TRP 60 3HZ TRP 60 11.176 -6.337 1.486 488 HH2 TRP 60 2HH TRP 60 9.751 -5.046 2.990 489 H GLU 61 HN GLU 61 8.450 -13.723 -0.012 490 HA GLU 61 HA GLU 61 10.957 -15.012 -0.196 491 HB2 GLU 61 2HB GLU 61 8.174 -15.830 -1.012 492 HB3 GLU 61 1HB GLU 61 9.559 -16.893 -1.053 493 HG2 GLU 61 2HG GLU 61 9.842 -16.581 1.375 494 HG3 GLU 61 1HG GLU 61 8.377 -15.598 1.380 495 H GLN 62 HN GLN 62 8.807 -13.484 -2.466 496 HA GLN 62 HA GLN 62 10.197 -14.638 -4.748 497 HB2 GLN 62 2HB GLN 62 7.801 -12.795 -4.620 498 HB3 GLN 62 1HB GLN 62 8.433 -13.545 -6.074 499 HG2 GLN 62 2HG GLN 62 7.305 -15.026 -3.713 500 HG3 GLN 62 1HG GLN 62 6.430 -14.663 -5.199 501 HE21 GLN 62 1HE2 GLN 62 6.081 -16.765 -5.748 502 HE22 GLN 62 2HE2 GLN 62 7.346 -17.849 -6.234 503 H LYS 63 HN LYS 63 9.224 -11.394 -3.637 504 HA LYS 63 HA LYS 63 11.555 -10.230 -4.945 505 HB2 LYS 63 2HB LYS 63 8.717 -9.517 -5.711 506 HB3 LYS 63 1HB LYS 63 10.147 -8.635 -6.221 507 HG2 LYS 63 2HG LYS 63 10.929 -10.518 -7.487 508 HG3 LYS 63 1HG LYS 63 9.630 -11.532 -6.856 509 HD2 LYS 63 2HD LYS 63 7.988 -10.046 -7.956 510 HD3 LYS 63 1HD LYS 63 9.324 -9.117 -8.642 511 HE2 LYS 63 2HE LYS 63 10.104 -11.088 -9.833 512 HE3 LYS 63 1HE LYS 63 8.822 -12.057 -9.109 513 HZ1 LYS 63 3HZ LYS 63 8.322 -11.338 -11.387 514 HZ2 LYS 63 1HZ LYS 63 8.378 -9.721 -10.892 515 HZ3 LYS 63 2HZ LYS 63 7.186 -10.760 -10.276 516 HA PRO 64 HA PRO 64 10.620 -8.230 -0.883 517 HB2 PRO 64 2HB PRO 64 13.483 -7.538 -1.266 518 HB3 PRO 64 1HB PRO 64 12.663 -8.190 0.158 519 HG2 PRO 64 2HG PRO 64 14.233 -9.741 -1.331 520 HG3 PRO 64 1HG PRO 64 12.727 -10.371 -0.639 521 HD2 PRO 64 2HD PRO 64 13.311 -9.514 -3.444 522 HD3 PRO 64 1HD PRO 64 12.334 -10.879 -2.858 523 H GLU 65 HN GLU 65 12.409 -6.994 -3.681 524 HA GLU 65 HA GLU 65 12.196 -4.269 -3.053 525 HB2 GLU 65 2HB GLU 65 12.602 -5.761 -5.631 526 HB3 GLU 65 1HB GLU 65 12.600 -4.020 -5.541 527 HG2 GLU 65 2HG GLU 65 14.859 -4.814 -5.551 528 HG3 GLU 65 1HG GLU 65 14.494 -4.108 -3.978 529 H THR 66 HN THR 66 10.142 -6.481 -4.874 530 HA THR 66 HA THR 66 8.298 -4.543 -5.799 531 HB THR 66 HB THR 66 7.834 -7.491 -5.291 532 HG1 THR 66 1HG THR 66 9.576 -6.691 -6.850 533 HG21 THR 66 3HG2 THR 66 5.747 -6.222 -5.551 534 HG22 THR 66 1HG2 THR 66 6.031 -7.278 -6.936 535 HG23 THR 66 2HG2 THR 66 6.344 -5.548 -7.068 536 H ALA 67 HN ALA 67 8.497 -6.507 -2.882 537 HA ALA 67 HA ALA 67 6.030 -5.798 -1.742 538 HB1 ALA 67 1HB ALA 67 7.032 -6.452 0.395 539 HB2 ALA 67 2HB ALA 67 8.630 -6.449 -0.352 540 HB3 ALA 67 3HB ALA 67 7.415 -7.618 -0.873 541 H SER 68 HN SER 68 9.230 -4.273 -1.566 542 HA SER 68 HA SER 68 8.525 -2.135 0.112 543 HB2 SER 68 2HB SER 68 10.629 -2.206 -2.068 544 HB3 SER 68 1HB SER 68 10.550 -1.042 -0.745 545 HG SER 68 HG SER 68 11.901 -2.543 0.031 546 H ARG 69 HN ARG 69 8.393 -2.486 -3.416 547 HA ARG 69 HA ARG 69 7.594 0.164 -3.958 548 HB2 ARG 69 2HB ARG 69 7.360 -2.394 -5.527 549 HB3 ARG 69 1HB ARG 69 6.815 -0.851 -6.145 550 HG2 ARG 69 2HG ARG 69 9.469 -0.595 -5.149 551 HG3 ARG 69 1HG ARG 69 9.378 -1.952 -6.272 552 HD2 ARG 69 2HD ARG 69 9.904 0.036 -7.492 553 HD3 ARG 69 1HD ARG 69 8.272 -0.465 -7.906 554 HE ARG 69 HE ARG 69 8.006 1.352 -5.847 555 HH11 ARG 69 1HH1 ARG 69 9.314 1.373 -9.101 556 HH12 ARG 69 2HH1 ARG 69 9.011 3.064 -9.338 557 HH21 ARG 69 1HH2 ARG 69 7.585 3.568 -6.172 558 HH22 ARG 69 2HH2 ARG 69 8.022 4.313 -7.686 559 H LEU 70 HN LEU 70 5.823 -2.767 -3.173 560 HA LEU 70 HA LEU 70 3.238 -1.683 -3.640 561 HB2 LEU 70 2HB LEU 70 3.707 -4.107 -3.429 562 HB3 LEU 70 1HB LEU 70 4.072 -3.873 -1.731 563 HG LEU 70 HG LEU 70 1.741 -3.158 -1.337 564 HD11 LEU 70 1HD1 LEU 70 0.064 -3.451 -3.064 565 HD12 LEU 70 2HD1 LEU 70 1.307 -3.932 -4.219 566 HD13 LEU 70 3HD1 LEU 70 1.280 -2.285 -3.586 567 HD21 LEU 70 3HD2 LEU 70 0.719 -5.362 -1.601 568 HD22 LEU 70 1HD2 LEU 70 2.378 -5.495 -1.017 569 HD23 LEU 70 2HD2 LEU 70 2.008 -5.831 -2.708 570 H ARG 71 HN ARG 71 5.321 -1.908 -0.790 571 HA ARG 71 HA ARG 71 3.541 -0.739 1.050 572 HB2 ARG 71 2HB ARG 71 6.514 -1.118 0.964 573 HB3 ARG 71 1HB ARG 71 5.763 -0.217 2.274 574 HG2 ARG 71 2HG ARG 71 4.876 -2.984 1.538 575 HG3 ARG 71 1HG ARG 71 6.205 -2.686 2.660 576 HD2 ARG 71 2HD ARG 71 3.520 -1.398 3.030 577 HD3 ARG 71 1HD ARG 71 3.851 -3.021 3.634 578 HE ARG 71 HE ARG 71 5.868 -1.228 4.476 579 HH11 ARG 71 1HH1 ARG 71 2.503 -1.954 5.092 580 HH12 ARG 71 2HH1 ARG 71 2.607 -1.574 6.783 581 HH21 ARG 71 1HH2 ARG 71 6.014 -0.790 6.705 582 HH22 ARG 71 2HH2 ARG 71 4.593 -0.910 7.698 583 H GLY 72 HN GLY 72 5.939 0.666 -1.125 584 HA2 GLY 72 2HA GLY 72 5.837 3.305 -0.175 585 HA3 GLY 72 1HA GLY 72 6.232 2.837 -1.823 586 H ARG 73 HN ARG 73 3.791 1.613 -2.503 587 HA ARG 73 HA ARG 73 2.227 3.902 -3.133 588 HB2 ARG 73 2HB ARG 73 1.828 0.948 -3.568 589 HB3 ARG 73 1HB ARG 73 0.614 2.132 -4.037 590 HG2 ARG 73 2HG ARG 73 2.268 3.252 -5.459 591 HG3 ARG 73 1HG ARG 73 3.459 2.030 -5.017 592 HD2 ARG 73 2HD ARG 73 0.823 1.302 -6.256 593 HD3 ARG 73 1HD ARG 73 2.211 1.755 -7.241 594 HE ARG 73 HE ARG 73 3.059 -0.233 -5.496 595 HH11 ARG 73 1HH1 ARG 73 0.739 0.101 -8.106 596 HH12 ARG 73 2HH1 ARG 73 0.894 -1.545 -8.634 597 HH21 ARG 73 1HH2 ARG 73 3.289 -2.400 -6.216 598 HH22 ARG 73 2HH2 ARG 73 2.352 -2.962 -7.564 599 H ILE 74 HN ILE 74 1.899 1.251 -0.828 600 HA ILE 74 HA ILE 74 -0.633 1.929 0.191 601 HB ILE 74 HB ILE 74 1.692 0.585 1.589 602 HG12 ILE 74 2HG1 ILE 74 -0.749 -0.592 0.239 603 HG13 ILE 74 1HG1 ILE 74 0.874 -0.583 -0.438 604 HG21 ILE 74 1HG2 ILE 74 -1.219 0.703 2.364 605 HG22 ILE 74 2HG2 ILE 74 0.125 1.458 3.219 606 HG23 ILE 74 3HG2 ILE 74 0.007 -0.298 3.141 607 HD11 ILE 74 3HD1 ILE 74 0.005 -1.997 2.072 608 HD12 ILE 74 1HD1 ILE 74 1.642 -1.985 1.417 609 HD13 ILE 74 2HD1 ILE 74 0.333 -2.745 0.509 610 H GLU 75 HN GLU 75 2.620 3.010 1.017 611 HA GLU 75 HA GLU 75 2.131 4.587 3.246 612 HB2 GLU 75 2HB GLU 75 4.358 4.115 2.298 613 HB3 GLU 75 1HB GLU 75 3.992 5.150 0.927 614 HG2 GLU 75 2HG GLU 75 3.702 7.031 2.577 615 HG3 GLU 75 1HG GLU 75 4.380 5.948 3.795 616 H SER 76 HN SER 76 1.918 5.467 -0.184 617 HA SER 76 HA SER 76 1.156 8.136 0.197 618 HB2 SER 76 2HB SER 76 0.574 6.299 -2.117 619 HB3 SER 76 1HB SER 76 0.413 8.052 -2.152 620 HG SER 76 HG SER 76 2.453 8.130 -2.577 621 H VAL 77 HN VAL 77 -0.806 5.213 -0.247 622 HA VAL 77 HA VAL 77 -3.308 6.507 -0.331 623 HB VAL 77 HB VAL 77 -2.661 3.690 0.561 624 HG11 VAL 77 1HG1 VAL 77 -4.996 3.183 0.106 625 HG12 VAL 77 2HG1 VAL 77 -5.302 4.876 -0.275 626 HG13 VAL 77 3HG1 VAL 77 -4.854 4.409 1.365 627 HG21 VAL 77 3HG2 VAL 77 -3.546 4.776 -2.108 628 HG22 VAL 77 1HG2 VAL 77 -3.331 3.069 -1.718 629 HG23 VAL 77 2HG2 VAL 77 -1.942 4.157 -1.718 630 H LEU 78 HN LEU 78 -1.567 4.984 2.374 631 HA LEU 78 HA LEU 78 -3.613 5.446 4.268 632 HB2 LEU 78 2HB LEU 78 -0.669 4.901 4.631 633 HB3 LEU 78 1HB LEU 78 -1.820 4.970 5.952 634 HG LEU 78 HG LEU 78 -1.856 2.984 3.675 635 HD11 LEU 78 1HD1 LEU 78 -0.064 2.589 5.290 636 HD12 LEU 78 2HD1 LEU 78 -1.310 1.345 5.385 637 HD13 LEU 78 3HD1 LEU 78 -1.242 2.617 6.602 638 HD21 LEU 78 3HD2 LEU 78 -3.656 3.213 6.088 639 HD22 LEU 78 1HD2 LEU 78 -3.675 1.908 4.903 640 HD23 LEU 78 2HD2 LEU 78 -4.116 3.544 4.418 641 H ASP 79 HN ASP 79 -0.785 7.318 3.300 642 HA ASP 79 HA ASP 79 -1.040 9.226 5.419 643 HB2 ASP 79 2HB ASP 79 1.101 8.831 4.246 644 HB3 ASP 79 1HB ASP 79 0.404 9.507 2.777 645 H TRP 80 HN TRP 80 -2.016 9.126 2.026 646 HA TRP 80 HA TRP 80 -3.139 11.679 1.816 647 HB2 TRP 80 2HB TRP 80 -2.742 10.193 -0.100 648 HB3 TRP 80 1HB TRP 80 -3.983 9.093 0.483 649 HD1 TRP 80 1HD TRP 80 -3.590 12.578 -1.102 650 HE1 TRP 80 1HE TRP 80 -5.807 13.197 -2.260 651 HE3 TRP 80 3HE TRP 80 -6.443 8.644 0.490 652 HZ2 TRP 80 2HZ TRP 80 -8.423 12.140 -2.462 653 HZ3 TRP 80 3HZ TRP 80 -8.793 8.529 -0.230 654 HH2 TRP 80 2HH TRP 80 -9.758 10.244 -1.674 655 H ALA 81 HN ALA 81 -4.602 8.593 2.796 656 HA ALA 81 HA ALA 81 -7.194 9.524 3.300 657 HB1 ALA 81 1HB ALA 81 -7.448 7.541 4.712 658 HB2 ALA 81 2HB ALA 81 -5.703 7.296 4.681 659 HB3 ALA 81 3HB ALA 81 -6.639 7.153 3.194 660 H THR 82 HN THR 82 -4.298 9.553 5.290 661 HA THR 82 HA THR 82 -5.514 10.346 7.716 662 HB THR 82 HB THR 82 -2.692 10.898 6.765 663 HG1 THR 82 1HG THR 82 -2.966 8.702 6.737 664 HG21 THR 82 3HG2 THR 82 -2.152 10.978 9.164 665 HG22 THR 82 1HG2 THR 82 -3.862 10.784 9.548 666 HG23 THR 82 2HG2 THR 82 -3.303 12.235 8.715 667 H VAL 83 HN VAL 83 -3.970 12.165 5.095 668 HA VAL 83 HA VAL 83 -4.375 14.736 6.193 669 HB VAL 83 HB VAL 83 -4.039 13.925 3.298 670 HG11 VAL 83 1HG1 VAL 83 -4.969 16.168 3.484 671 HG12 VAL 83 2HG1 VAL 83 -3.294 16.231 2.936 672 HG13 VAL 83 3HG1 VAL 83 -3.690 16.618 4.609 673 HG21 VAL 83 3HG2 VAL 83 -1.688 14.529 3.639 674 HG22 VAL 83 1HG2 VAL 83 -2.183 13.200 4.687 675 HG23 VAL 83 2HG2 VAL 83 -2.018 14.827 5.344 676 H ARG 84 HN ARG 84 -6.310 12.736 4.015 677 HA ARG 84 HA ARG 84 -8.280 14.740 3.524 678 HB2 ARG 84 2HB ARG 84 -8.282 11.754 3.138 679 HB3 ARG 84 1HB ARG 84 -9.624 12.785 2.662 680 HG2 ARG 84 2HG ARG 84 -6.806 13.034 1.634 681 HG3 ARG 84 1HG ARG 84 -8.126 12.218 0.796 682 HD2 ARG 84 2HD ARG 84 -8.023 15.137 1.551 683 HD3 ARG 84 1HD ARG 84 -7.810 14.473 -0.068 684 HE ARG 84 HE ARG 84 -10.327 13.973 1.354 685 HH11 ARG 84 1HH1 ARG 84 -8.590 15.574 -1.239 686 HH12 ARG 84 2HH1 ARG 84 -10.036 16.015 -2.096 687 HH21 ARG 84 1HH2 ARG 84 -12.216 14.534 0.235 688 HH22 ARG 84 2HH2 ARG 84 -12.111 15.430 -1.255 689 H GLY 85 HN GLY 85 -7.805 12.380 6.028 690 HA2 GLY 85 2HA GLY 85 -8.841 12.506 8.136 691 HA3 GLY 85 1HA GLY 85 -10.118 13.486 7.427 692 H TYR 86 HN TYR 86 -9.021 10.463 6.035 693 HA TYR 86 HA TYR 86 -11.661 9.306 6.536 694 HB2 TYR 86 2HB TYR 86 -9.366 8.444 4.769 695 HB3 TYR 86 1HB TYR 86 -10.803 7.460 5.019 696 HD1 TYR 86 2HD TYR 86 -13.064 8.994 4.709 697 HD2 TYR 86 1HD TYR 86 -9.322 9.586 2.782 698 HE1 TYR 86 2HE TYR 86 -14.205 10.174 2.879 699 HE2 TYR 86 1HE TYR 86 -10.448 10.772 0.947 700 HH TYR 86 HH TYR 86 -12.692 10.907 -0.079 701 H ARG 87 HN ARG 87 -8.939 9.553 8.191 702 HA ARG 87 HA ARG 87 -9.445 7.347 9.898 703 HB2 ARG 87 2HB ARG 87 -7.333 6.149 9.589 704 HB3 ARG 87 1HB ARG 87 -8.265 6.137 8.100 705 HG2 ARG 87 2HG ARG 87 -6.867 8.062 7.315 706 HG3 ARG 87 1HG ARG 87 -5.857 7.822 8.741 707 HD2 ARG 87 2HD ARG 87 -6.373 5.816 6.548 708 HD3 ARG 87 1HD ARG 87 -4.887 6.725 6.804 709 HE ARG 87 HE ARG 87 -5.822 4.418 8.306 710 HH11 ARG 87 1HH1 ARG 87 -3.569 7.085 8.109 711 HH12 ARG 87 2HH1 ARG 87 -2.361 6.320 9.093 712 HH21 ARG 87 1HH2 ARG 87 -4.243 3.395 9.621 713 HH22 ARG 87 2HH2 ARG 87 -2.759 4.219 9.972 714 H GLU 88 HN GLU 88 -7.219 7.192 11.367 715 HA GLU 88 HA GLU 88 -6.809 9.947 12.235 716 HB2 GLU 88 2HB GLU 88 -6.283 7.297 13.583 717 HB3 GLU 88 1HB GLU 88 -5.841 8.849 14.285 718 HG2 GLU 88 2HG GLU 88 -8.117 9.537 14.407 719 HG3 GLU 88 1HG GLU 88 -8.645 8.151 13.457 720 H GLY 89 HN GLY 89 -4.487 10.214 13.302 721 HA2 GLY 89 2HA GLY 89 -2.805 10.182 10.953 722 HA3 GLY 89 1HA GLY 89 -2.495 11.042 12.447 723 H ASP 90 HN ASP 90 -1.674 8.456 10.526 724 HA ASP 90 HA ASP 90 0.619 7.845 12.010 725 HB2 ASP 90 2HB ASP 90 -1.004 6.666 13.487 726 HB3 ASP 90 1HB ASP 90 -1.469 5.653 12.123 727 H ASN 91 HN ASN 91 2.030 6.456 10.854 728 HA ASN 91 HA ASN 91 1.010 5.610 8.227 729 HB2 ASN 91 2HB ASN 91 2.460 7.567 7.948 730 HB3 ASN 91 1HB ASN 91 3.757 6.737 8.802 731 HD21 ASN 91 1HD2 ASN 91 1.865 6.821 5.849 732 HD22 ASN 91 2HD2 ASN 91 2.958 5.875 4.907 733 HA PRO 92 HA PRO 92 2.502 1.820 10.312 734 HB2 PRO 92 2HB PRO 92 0.508 0.573 8.551 735 HB3 PRO 92 1HB PRO 92 0.647 0.506 10.310 736 HG2 PRO 92 2HG PRO 92 -1.315 1.884 9.095 737 HG3 PRO 92 1HG PRO 92 -0.581 2.434 10.614 738 HD2 PRO 92 2HD PRO 92 -0.067 3.371 7.813 739 HD3 PRO 92 1HD PRO 92 -0.254 4.323 9.302 740 H ALA 93 HN ALA 93 3.000 3.109 7.365 741 HA ALA 93 HA ALA 93 3.858 0.660 5.999 742 HB1 ALA 93 1HB ALA 93 2.614 2.353 4.722 743 HB2 ALA 93 2HB ALA 93 4.231 2.094 4.069 744 HB3 ALA 93 3HB ALA 93 3.892 3.527 5.037 745 H ARG 94 HN ARG 94 5.176 2.659 8.247 746 HA ARG 94 HA ARG 94 7.856 2.759 7.191 747 HB2 ARG 94 2HB ARG 94 8.455 3.668 9.374 748 HB3 ARG 94 1HB ARG 94 7.037 4.490 8.739 749 HG2 ARG 94 2HG ARG 94 5.607 3.111 10.186 750 HG3 ARG 94 1HG ARG 94 7.046 2.329 10.843 751 HD2 ARG 94 2HD ARG 94 6.278 4.067 12.347 752 HD3 ARG 94 1HD ARG 94 7.837 4.514 11.656 753 HE ARG 94 HE ARG 94 6.471 5.914 10.062 754 HH11 ARG 94 1HH1 ARG 94 5.378 5.163 13.305 755 HH12 ARG 94 2HH1 ARG 94 4.356 6.562 13.415 756 HH21 ARG 94 1HH2 ARG 94 5.164 7.774 10.218 757 HH22 ARG 94 2HH2 ARG 94 4.236 8.052 11.667 758 H TRP 95 HN TRP 95 9.680 1.689 8.285 759 HA TRP 95 HA TRP 95 9.157 -0.524 10.043 760 HB2 TRP 95 2HB TRP 95 9.316 -1.016 7.202 761 HB3 TRP 95 1HB TRP 95 10.651 -1.805 8.036 762 HD1 TRP 95 1HD TRP 95 9.324 -2.842 10.632 763 HE1 TRP 95 1HE TRP 95 7.480 -4.633 10.567 764 HE3 TRP 95 3HE TRP 95 7.793 -2.227 5.810 765 HZ2 TRP 95 2HZ TRP 95 5.614 -5.655 8.690 766 HZ3 TRP 95 3HZ TRP 95 5.962 -3.619 4.962 767 HH2 TRP 95 2HH TRP 95 4.909 -5.319 6.365 768 H ARG 96 HN ARG 96 10.745 -0.338 11.477 769 HA ARG 96 HA ARG 96 13.437 0.292 10.495 770 HB2 ARG 96 2HB ARG 96 12.164 0.638 13.203 771 HB3 ARG 96 1HB ARG 96 13.875 0.873 12.899 772 HG2 ARG 96 2HG ARG 96 13.355 2.655 11.319 773 HG3 ARG 96 1HG ARG 96 11.633 2.411 11.616 774 HD2 ARG 96 2HD ARG 96 11.955 2.988 13.965 775 HD3 ARG 96 1HD ARG 96 13.679 3.219 13.674 776 HE ARG 96 HE ARG 96 12.489 4.894 11.892 777 HH11 ARG 96 1HH1 ARG 96 12.279 4.447 15.360 778 HH12 ARG 96 2HH1 ARG 96 11.884 6.115 15.679 779 HH21 ARG 96 1HH2 ARG 96 11.976 7.090 12.301 780 HH22 ARG 96 2HH2 ARG 96 11.696 7.612 13.939 781 H GLY 97 HN GLY 97 11.508 -2.207 11.752 782 HA2 GLY 97 2HA GLY 97 13.809 -3.936 12.029 783 HA3 GLY 97 1HA GLY 97 12.943 -3.632 13.525 784 H TYR 98 HN TYR 98 12.950 -5.287 10.516 785 HA TYR 98 HA TYR 98 10.870 -7.048 11.551 786 HB2 TYR 98 2HB TYR 98 9.674 -5.428 10.093 787 HB3 TYR 98 1HB TYR 98 10.714 -5.892 8.751 788 HD1 TYR 98 2HD TYR 98 8.157 -7.191 11.112 789 HD2 TYR 98 1HD TYR 98 10.183 -7.763 7.417 790 HE1 TYR 98 2HE TYR 98 6.590 -8.996 10.538 791 HE2 TYR 98 1HE TYR 98 8.621 -9.570 6.829 792 HH TYR 98 HH TYR 98 7.129 -11.158 7.956 793 H LEU 99 HN LEU 99 13.253 -6.374 9.033 794 HA LEU 99 HA LEU 99 13.490 -9.225 8.464 795 HB2 LEU 99 2HB LEU 99 14.776 -6.829 7.155 796 HB3 LEU 99 1HB LEU 99 14.973 -8.487 6.630 797 HG LEU 99 HG LEU 99 12.354 -6.982 6.647 798 HD11 LEU 99 1HD1 LEU 99 13.905 -6.091 4.988 799 HD12 LEU 99 2HD1 LEU 99 12.582 -6.964 4.216 800 HD13 LEU 99 3HD1 LEU 99 14.171 -7.716 4.353 801 HD21 LEU 99 3HD2 LEU 99 11.521 -8.881 5.357 802 HD22 LEU 99 1HD2 LEU 99 12.078 -9.389 6.950 803 HD23 LEU 99 2HD2 LEU 99 13.078 -9.690 5.530 804 H GLU 100 HN GLU 100 15.530 -6.474 9.362 805 HA GLU 100 HA GLU 100 17.576 -6.282 10.305 806 HB2 GLU 100 2HB GLU 100 16.260 -7.552 12.116 807 HB3 GLU 100 1HB GLU 100 17.128 -8.982 11.576 808 HG2 GLU 100 2HG GLU 100 19.234 -8.002 12.167 809 HG3 GLU 100 1HG GLU 100 18.463 -6.461 12.533 810 H HIS 101 HN HIS 101 19.552 -8.221 10.913 811 HA HIS 101 HA HIS 101 21.283 -9.354 9.973 812 HB2 HIS 101 2HB HIS 101 19.272 -10.200 7.872 813 HB3 HIS 101 1HB HIS 101 20.868 -10.901 8.102 814 HD1 HIS 101 1HD HIS 101 21.066 -12.777 9.776 815 HD2 HIS 101 2HD HIS 101 17.423 -10.775 9.995 816 HE1 HIS 101 1HE HIS 101 19.642 -14.119 11.357 817 HE2 HIS 101 2HE HIS 101 17.520 -12.782 11.622 818 H HIS 102 HN HIS 102 22.545 -9.551 7.784 819 HA HIS 102 HA HIS 102 23.610 -8.522 6.047 820 HB2 HIS 102 2HB HIS 102 20.911 -8.455 5.454 821 HB3 HIS 102 1HB HIS 102 21.381 -6.776 5.262 822 HD1 HIS 102 1HD HIS 102 21.026 -9.723 3.357 823 HD2 HIS 102 2HD HIS 102 23.854 -6.673 3.473 824 HE1 HIS 102 1HE HIS 102 22.214 -9.815 1.148 825 HE2 HIS 102 2HE HIS 102 23.827 -7.881 1.183 826 H HIS 103 HN HIS 103 23.457 -5.962 4.997 827 HA HIS 103 HA HIS 103 23.924 -3.777 5.271 828 HB2 HIS 103 2HB HIS 103 21.655 -3.906 6.384 829 HB3 HIS 103 1HB HIS 103 22.497 -3.974 7.926 830 HD1 HIS 103 1HD HIS 103 20.938 -1.643 5.720 831 HD2 HIS 103 2HD HIS 103 24.275 -1.545 8.208 832 HE1 HIS 103 1HE HIS 103 21.439 0.795 6.096 833 HE2 HIS 103 2HE HIS 103 23.594 0.813 7.401 834 H HIS 104 HN HIS 104 26.198 -4.349 5.463 835 HA HIS 104 HA HIS 104 27.206 -3.038 7.826 836 HB2 HIS 104 2HB HIS 104 28.729 -4.691 8.567 837 HB3 HIS 104 1HB HIS 104 27.186 -5.504 8.402 838 HD1 HIS 104 1HD HIS 104 29.691 -7.174 8.517 839 HD2 HIS 104 2HD HIS 104 28.089 -5.775 4.943 840 HE1 HIS 104 1HE HIS 104 30.588 -8.693 6.727 841 HE2 HIS 104 2HE HIS 104 29.822 -7.653 4.561 842 H HIS 105 HN HIS 105 29.306 -2.186 7.565 843 HA HIS 105 HA HIS 105 30.486 -2.492 4.884 844 HB2 HIS 105 2HB HIS 105 29.150 -0.258 5.420 845 HB3 HIS 105 1HB HIS 105 30.648 0.167 6.243 846 HD1 HIS 105 1HD HIS 105 32.202 1.436 4.781 847 HD2 HIS 105 2HD HIS 105 29.812 -1.191 2.613 848 HE1 HIS 105 1HE HIS 105 32.830 1.774 2.369 849 HE2 HIS 105 2HE HIS 105 31.205 0.343 1.073 850 H HIS 106 HN HIS 106 30.795 -1.738 8.263 851 HA HIS 106 HA HIS 106 33.212 -3.220 8.470 852 HB2 HIS 106 2HB HIS 106 34.084 -0.986 7.698 853 HB3 HIS 106 1HB HIS 106 33.390 -0.269 9.147 854 HD1 HIS 106 1HD HIS 106 34.694 -0.507 11.318 855 HD2 HIS 106 2HD HIS 106 36.332 -2.691 8.176 856 HE1 HIS 106 1HE HIS 106 36.960 -1.254 12.116 857 HE2 HIS 106 2HE HIS 106 37.885 -2.678 10.256 Start of MODEL 4 1 H1 MET 1 H1 MET 1 -14.518 3.393 6.053 2 H2 MET 1 H2 MET 1 -15.705 2.424 5.330 3 H3 MET 1 H3 MET 1 -15.783 4.113 5.190 4 HA MET 1 HA MET 1 -15.003 3.071 3.150 5 HB2 MET 1 2HB MET 1 -14.265 5.357 3.813 6 HB3 MET 1 1HB MET 1 -12.849 4.650 4.580 7 HG2 MET 1 2HG MET 1 -12.222 5.502 2.435 8 HG3 MET 1 1HG MET 1 -12.173 3.742 2.380 9 HE1 MET 1 2HE MET 1 -14.210 6.953 1.386 10 HE2 MET 1 3HE MET 1 -15.391 6.012 2.297 11 HE3 MET 1 1HE MET 1 -15.599 6.244 0.561 12 H THR 2 HN THR 2 -13.943 1.386 2.267 13 HA THR 2 HA THR 2 -12.275 -0.226 4.035 14 HB THR 2 HB THR 2 -12.335 -1.906 2.217 15 HG1 THR 2 1HG THR 2 -14.247 -0.283 0.897 16 HG21 THR 2 3HG2 THR 2 -14.718 -2.452 2.387 17 HG22 THR 2 1HG2 THR 2 -15.047 -0.828 2.992 18 HG23 THR 2 2HG2 THR 2 -14.065 -1.940 3.944 19 H PHE 3 HN PHE 3 -10.299 -1.254 3.009 20 HA PHE 3 HA PHE 3 -8.475 0.798 2.348 21 HB2 PHE 3 2HB PHE 3 -7.855 -1.309 3.514 22 HB3 PHE 3 1HB PHE 3 -8.126 -2.191 2.016 23 HD1 PHE 3 2HD PHE 3 -6.063 0.489 3.532 24 HD2 PHE 3 1HD PHE 3 -6.427 -2.403 0.432 25 HE1 PHE 3 2HE PHE 3 -3.729 0.909 2.872 26 HE2 PHE 3 1HE PHE 3 -4.098 -1.984 -0.239 27 HZ PHE 3 HZ PHE 3 -2.745 -0.329 0.982 28 H SER 4 HN SER 4 -10.081 -1.696 0.417 29 HA SER 4 HA SER 4 -8.766 -1.171 -2.012 30 HB2 SER 4 2HB SER 4 -11.554 -2.263 -1.557 31 HB3 SER 4 1HB SER 4 -10.643 -2.371 -3.064 32 HG SER 4 HG SER 4 -8.985 -3.396 -1.560 33 H GLU 5 HN GLU 5 -11.820 0.086 -0.699 34 HA GLU 5 HA GLU 5 -12.527 1.670 -2.907 35 HB2 GLU 5 2HB GLU 5 -13.192 1.843 0.020 36 HB3 GLU 5 1HB GLU 5 -13.873 2.940 -1.164 37 HG2 GLU 5 2HG GLU 5 -14.886 1.084 -2.338 38 HG3 GLU 5 1HG GLU 5 -14.158 -0.048 -1.200 39 H CYS 6 HN CYS 6 -10.766 2.465 0.062 40 HA CYS 6 HA CYS 6 -10.459 5.212 -0.457 41 HB2 CYS 6 2HB CYS 6 -10.053 3.930 1.720 42 HB3 CYS 6 1HB CYS 6 -8.473 3.543 1.068 43 HG CYS 6 HG CYS 6 -8.134 6.493 0.627 44 H ALA 7 HN ALA 7 -8.353 2.453 -1.117 45 HA ALA 7 HA ALA 7 -6.231 3.822 -2.314 46 HB1 ALA 7 1HB ALA 7 -5.635 1.716 -3.359 47 HB2 ALA 7 2HB ALA 7 -7.242 1.072 -3.028 48 HB3 ALA 7 3HB ALA 7 -6.151 1.443 -1.695 49 H ALA 8 HN ALA 8 -9.177 2.478 -3.773 50 HA ALA 8 HA ALA 8 -8.624 3.177 -6.429 51 HB1 ALA 8 1HB ALA 8 -10.413 1.623 -5.758 52 HB2 ALA 8 2HB ALA 8 -10.993 2.883 -6.846 53 HB3 ALA 8 3HB ALA 8 -11.336 2.984 -5.119 54 H LEU 9 HN LEU 9 -10.164 5.001 -3.822 55 HA LEU 9 HA LEU 9 -10.946 7.239 -5.333 56 HB2 LEU 9 2HB LEU 9 -10.124 7.086 -2.430 57 HB3 LEU 9 1HB LEU 9 -10.931 8.451 -3.173 58 HG LEU 9 HG LEU 9 -12.086 5.682 -2.842 59 HD11 LEU 9 1HD1 LEU 9 -12.760 8.290 -1.487 60 HD12 LEU 9 2HD1 LEU 9 -11.925 6.925 -0.746 61 HD13 LEU 9 3HD1 LEU 9 -13.603 6.757 -1.262 62 HD21 LEU 9 3HD2 LEU 9 -13.350 8.190 -3.942 63 HD22 LEU 9 1HD2 LEU 9 -14.151 6.638 -3.695 64 HD23 LEU 9 2HD2 LEU 9 -12.863 6.787 -4.891 65 H TYR 10 HN TYR 10 -7.943 6.511 -3.599 66 HA TYR 10 HA TYR 10 -6.606 8.928 -4.056 67 HB2 TYR 10 2HB TYR 10 -5.803 7.176 -2.510 68 HB3 TYR 10 1HB TYR 10 -5.422 6.145 -3.883 69 HD1 TYR 10 1HD TYR 10 -4.611 9.445 -2.388 70 HD2 TYR 10 2HD TYR 10 -3.294 6.255 -4.864 71 HE1 TYR 10 1HE TYR 10 -2.377 10.455 -2.483 72 HE2 TYR 10 2HE TYR 10 -1.048 7.254 -4.963 73 HH TYR 10 HH TYR 10 -0.088 9.822 -2.894 74 H ILE 11 HN ILE 11 -6.765 5.981 -5.962 75 HA ILE 11 HA ILE 11 -5.004 6.744 -8.017 76 HB ILE 11 HB ILE 11 -7.308 4.785 -8.053 77 HG12 ILE 11 2HG1 ILE 11 -4.338 4.290 -7.762 78 HG13 ILE 11 1HG1 ILE 11 -5.447 4.405 -6.401 79 HG21 ILE 11 1HG2 ILE 11 -6.727 5.447 -10.324 80 HG22 ILE 11 2HG2 ILE 11 -6.215 3.789 -10.010 81 HG23 ILE 11 3HG2 ILE 11 -5.029 5.092 -10.007 82 HD11 ILE 11 3HD1 ILE 11 -4.981 2.098 -6.952 83 HD12 ILE 11 1HD1 ILE 11 -5.546 2.359 -8.602 84 HD13 ILE 11 2HD1 ILE 11 -6.677 2.475 -7.254 85 H LYS 12 HN LYS 12 -8.549 6.981 -7.774 86 HA LYS 12 HA LYS 12 -8.862 8.157 -10.355 87 HB2 LYS 12 2HB LYS 12 -10.720 8.074 -7.973 88 HB3 LYS 12 1HB LYS 12 -11.174 8.679 -9.563 89 HG2 LYS 12 2HG LYS 12 -10.680 6.467 -10.520 90 HG3 LYS 12 1HG LYS 12 -10.293 5.874 -8.904 91 HD2 LYS 12 2HD LYS 12 -12.567 6.305 -8.174 92 HD3 LYS 12 1HD LYS 12 -12.964 6.998 -9.749 93 HE2 LYS 12 2HE LYS 12 -12.448 4.826 -10.796 94 HE3 LYS 12 1HE LYS 12 -12.148 4.147 -9.198 95 HZ1 LYS 12 3HZ LYS 12 -14.434 4.551 -8.605 96 HZ2 LYS 12 1HZ LYS 12 -14.378 3.649 -10.037 97 HZ3 LYS 12 2HZ LYS 12 -14.734 5.306 -10.095 98 H ALA 13 HN ALA 13 -8.448 9.480 -7.111 99 HA ALA 13 HA ALA 13 -8.941 12.174 -7.794 100 HB1 ALA 13 1HB ALA 13 -7.106 11.080 -5.664 101 HB2 ALA 13 2HB ALA 13 -8.829 11.416 -5.474 102 HB3 ALA 13 3HB ALA 13 -7.698 12.738 -5.771 103 H HIS 14 HN HIS 14 -6.170 10.092 -8.193 104 HA HIS 14 HA HIS 14 -4.565 12.360 -9.147 105 HB2 HIS 14 2HB HIS 14 -3.838 9.694 -7.990 106 HB3 HIS 14 1HB HIS 14 -2.689 10.548 -9.012 107 HD1 HIS 14 1HD HIS 14 -4.508 10.893 -5.725 108 HD2 HIS 14 2HD HIS 14 -1.373 12.634 -7.824 109 HE1 HIS 14 1HE HIS 14 -3.387 12.454 -4.095 110 HE2 HIS 14 2HE HIS 14 -1.422 13.414 -5.360 111 H ARG 15 HN ARG 15 -6.671 10.548 -10.573 112 HA ARG 15 HA ARG 15 -5.263 9.126 -12.566 113 HB2 ARG 15 2HB ARG 15 -7.361 9.060 -13.800 114 HB3 ARG 15 1HB ARG 15 -7.661 8.744 -12.096 115 HG2 ARG 15 2HG ARG 15 -8.471 10.992 -11.780 116 HG3 ARG 15 1HG ARG 15 -8.067 11.399 -13.443 117 HD2 ARG 15 2HD ARG 15 -9.700 9.801 -14.260 118 HD3 ARG 15 1HD ARG 15 -10.066 9.308 -12.607 119 HE ARG 15 HE ARG 15 -10.702 11.803 -12.356 120 HH11 ARG 15 1HH1 ARG 15 -11.183 9.873 -15.254 121 HH12 ARG 15 2HH1 ARG 15 -12.579 10.781 -15.755 122 HH21 ARG 15 1HH2 ARG 15 -12.505 12.990 -13.041 123 HH22 ARG 15 2HH2 ARG 15 -13.326 12.552 -14.514 124 H SER 16 HN SER 16 -6.289 12.460 -12.279 125 HA SER 16 HA SER 16 -5.759 13.278 -14.919 126 HB2 SER 16 2HB SER 16 -5.481 15.041 -12.499 127 HB3 SER 16 1HB SER 16 -6.133 15.434 -14.088 128 HG SER 16 HG SER 16 -8.022 14.643 -13.540 129 H SER 17 HN SER 17 -3.817 12.958 -12.020 130 HA SER 17 HA SER 17 -1.503 14.284 -13.010 131 HB2 SER 17 2HB SER 17 -1.527 12.201 -10.829 132 HB3 SER 17 1HB SER 17 -0.495 13.622 -10.983 133 HG SER 17 HG SER 17 -2.335 14.928 -10.588 134 H TRP 18 HN TRP 18 -2.698 10.994 -12.979 135 HA TRP 18 HA TRP 18 -0.235 9.987 -14.194 136 HB2 TRP 18 2HB TRP 18 -2.675 8.509 -13.190 137 HB3 TRP 18 1HB TRP 18 -1.207 7.758 -13.802 138 HD1 TRP 18 1HD TRP 18 0.696 9.930 -12.083 139 HE1 TRP 18 1HE TRP 18 1.022 9.404 -9.580 140 HE3 TRP 18 3HE TRP 18 -3.295 6.825 -11.379 141 HZ2 TRP 18 2HZ TRP 18 -0.240 7.867 -7.579 142 HZ3 TRP 18 3HZ TRP 18 -3.656 5.855 -9.149 143 HH2 TRP 18 2HH TRP 18 -2.165 6.371 -7.290 144 H LYS 19 HN LYS 19 -1.965 11.698 -15.750 145 HA LYS 19 HA LYS 19 -3.011 9.787 -17.706 146 HB2 LYS 19 2HB LYS 19 -4.799 11.174 -16.644 147 HB3 LYS 19 1HB LYS 19 -3.984 12.615 -17.236 148 HG2 LYS 19 2HG LYS 19 -4.450 12.073 -19.489 149 HG3 LYS 19 1HG LYS 19 -4.957 10.437 -19.061 150 HD2 LYS 19 2HD LYS 19 -6.888 11.321 -17.881 151 HD3 LYS 19 1HD LYS 19 -6.362 12.970 -18.217 152 HE2 LYS 19 2HE LYS 19 -8.158 12.220 -19.732 153 HE3 LYS 19 1HE LYS 19 -6.675 12.631 -20.589 154 HZ1 LYS 19 3HZ LYS 19 -7.396 9.846 -19.851 155 HZ2 LYS 19 1HZ LYS 19 -6.177 10.356 -20.914 156 HZ3 LYS 19 2HZ LYS 19 -7.810 10.546 -21.335 157 H ASN 20 HN ASN 20 -0.735 10.788 -19.902 158 HA ASN 20 HA ASN 20 -2.706 9.059 -18.636 159 HB2 ASN 20 2HB ASN 20 -3.518 9.778 -20.862 160 HB3 ASN 20 1HB ASN 20 -2.066 9.096 -21.593 161 HD21 ASN 20 1HD2 ASN 20 -3.237 7.641 -22.838 162 HD22 ASN 20 2HD2 ASN 20 -4.004 6.251 -22.141 163 H THR 21 HN THR 21 -1.478 7.832 -17.463 164 HA THR 21 HA THR 21 0.618 6.247 -18.806 165 HB THR 21 HB THR 21 1.690 5.977 -16.590 166 HG1 THR 21 1HG THR 21 -0.502 7.577 -15.802 167 HG21 THR 21 3HG2 THR 21 1.274 8.857 -17.385 168 HG22 THR 21 1HG2 THR 21 2.506 7.766 -18.019 169 HG23 THR 21 2HG2 THR 21 2.554 8.264 -16.327 170 H LYS 22 HN LYS 22 0.708 3.992 -18.226 171 HA LYS 22 HA LYS 22 -1.818 2.908 -17.287 172 HB2 LYS 22 2HB LYS 22 0.742 1.540 -18.154 173 HB3 LYS 22 1HB LYS 22 -0.730 0.696 -17.692 174 HG2 LYS 22 2HG LYS 22 -1.895 1.987 -19.530 175 HG3 LYS 22 1HG LYS 22 -0.291 2.483 -20.065 176 HD2 LYS 22 2HD LYS 22 -1.238 -0.366 -19.799 177 HD3 LYS 22 1HD LYS 22 -1.137 0.539 -21.308 178 HE2 LYS 22 2HE LYS 22 1.289 0.794 -20.958 179 HE3 LYS 22 1HE LYS 22 1.161 -0.181 -19.494 180 HZ1 LYS 22 3HZ LYS 22 1.862 -1.577 -21.277 181 HZ2 LYS 22 1HZ LYS 22 0.594 -1.055 -22.274 182 HZ3 LYS 22 2HZ LYS 22 0.264 -1.992 -20.900 183 H HIS 23 HN HIS 23 0.695 4.252 -15.899 184 HA HIS 23 HA HIS 23 1.523 2.760 -13.723 185 HB2 HIS 23 2HB HIS 23 2.472 4.909 -14.403 186 HB3 HIS 23 1HB HIS 23 0.976 5.728 -14.004 187 HD1 HIS 23 1HD HIS 23 4.084 4.337 -12.497 188 HD2 HIS 23 2HD HIS 23 0.640 6.337 -11.302 189 HE1 HIS 23 1HE HIS 23 4.553 5.164 -10.172 190 HE2 HIS 23 2HE HIS 23 2.557 6.586 -9.581 191 H ALA 24 HN ALA 24 -1.479 4.541 -14.228 192 HA ALA 24 HA ALA 24 -2.458 4.353 -11.562 193 HB1 ALA 24 1HB ALA 24 -4.608 4.982 -12.524 194 HB2 ALA 24 2HB ALA 24 -3.992 4.663 -14.146 195 HB3 ALA 24 3HB ALA 24 -3.315 5.980 -13.186 196 H ASP 25 HN ASP 25 -3.003 2.406 -14.478 197 HA ASP 25 HA ASP 25 -4.871 0.621 -13.337 198 HB2 ASP 25 2HB ASP 25 -4.607 0.951 -15.772 199 HB3 ASP 25 1HB ASP 25 -3.026 0.186 -15.698 200 H GLN 26 HN GLN 26 -1.391 0.374 -13.905 201 HA GLN 26 HA GLN 26 -0.951 -2.164 -12.844 202 HB2 GLN 26 2HB GLN 26 0.755 0.304 -13.105 203 HB3 GLN 26 1HB GLN 26 1.395 -1.178 -12.421 204 HG2 GLN 26 2HG GLN 26 0.990 -2.368 -14.456 205 HG3 GLN 26 1HG GLN 26 0.129 -0.991 -15.138 206 HE21 GLN 26 1HE2 GLN 26 1.506 -0.997 -16.911 207 HE22 GLN 26 2HE2 GLN 26 3.120 -0.367 -16.806 208 H TRP 27 HN TRP 27 -1.044 1.000 -11.235 209 HA TRP 27 HA TRP 27 -0.338 0.140 -8.662 210 HB2 TRP 27 2HB TRP 27 -1.690 2.485 -9.830 211 HB3 TRP 27 1HB TRP 27 -2.093 2.155 -8.148 212 HD1 TRP 27 1HD TRP 27 1.300 2.131 -10.074 213 HE1 TRP 27 1HE TRP 27 2.998 3.482 -8.678 214 HE3 TRP 27 3HE TRP 27 -1.752 3.508 -6.217 215 HZ2 TRP 27 2HZ TRP 27 3.019 4.956 -6.270 216 HZ3 TRP 27 3HZ TRP 27 -0.819 4.889 -4.412 217 HH2 TRP 27 2HH TRP 27 1.517 5.599 -4.438 218 H THR 28 HN THR 28 -3.511 0.445 -10.190 219 HA THR 28 HA THR 28 -5.080 -0.345 -8.017 220 HB THR 28 HB THR 28 -5.739 -0.864 -10.920 221 HG1 THR 28 1HG THR 28 -5.064 1.322 -10.624 222 HG21 THR 28 3HG2 THR 28 -8.050 -0.449 -10.170 223 HG22 THR 28 1HG2 THR 28 -7.469 -0.270 -8.514 224 HG23 THR 28 2HG2 THR 28 -7.323 -1.824 -9.338 225 H ASN 29 HN ASN 29 -3.761 -2.250 -10.701 226 HA ASN 29 HA ASN 29 -5.071 -4.647 -10.160 227 HB2 ASN 29 2HB ASN 29 -2.717 -3.801 -11.758 228 HB3 ASN 29 1HB ASN 29 -2.891 -5.515 -11.448 229 HD21 ASN 29 1HD2 ASN 29 -4.184 -2.744 -13.036 230 HD22 ASN 29 2HD2 ASN 29 -5.317 -3.583 -14.038 231 H THR 30 HN THR 30 -1.800 -3.611 -9.199 232 HA THR 30 HA THR 30 -1.062 -6.048 -8.015 233 HB THR 30 HB THR 30 -0.045 -3.318 -7.227 234 HG1 THR 30 1HG THR 30 0.372 -4.898 -9.529 235 HG21 THR 30 3HG2 THR 30 0.721 -5.154 -5.800 236 HG22 THR 30 1HG2 THR 30 2.045 -4.509 -6.772 237 HG23 THR 30 2HG2 THR 30 1.280 -6.033 -7.222 238 H ILE 31 HN ILE 31 -2.524 -3.127 -6.634 239 HA ILE 31 HA ILE 31 -2.398 -3.978 -3.941 240 HB ILE 31 HB ILE 31 -4.265 -1.977 -5.231 241 HG12 ILE 31 2HG1 ILE 31 -1.693 -1.570 -3.685 242 HG13 ILE 31 1HG1 ILE 31 -1.855 -1.438 -5.432 243 HG21 ILE 31 1HG2 ILE 31 -4.590 -1.101 -2.954 244 HG22 ILE 31 2HG2 ILE 31 -3.644 -2.448 -2.319 245 HG23 ILE 31 3HG2 ILE 31 -5.181 -2.757 -3.124 246 HD11 ILE 31 3HD1 ILE 31 -3.392 0.442 -5.142 247 HD12 ILE 31 1HD1 ILE 31 -1.825 0.751 -4.392 248 HD13 ILE 31 2HD1 ILE 31 -3.209 0.315 -3.392 249 H LYS 32 HN LYS 32 -4.916 -4.214 -6.419 250 HA LYS 32 HA LYS 32 -6.940 -5.238 -4.736 251 HB2 LYS 32 2HB LYS 32 -7.206 -4.278 -7.078 252 HB3 LYS 32 1HB LYS 32 -6.646 -5.831 -7.680 253 HG2 LYS 32 2HG LYS 32 -8.521 -6.935 -6.523 254 HG3 LYS 32 1HG LYS 32 -9.103 -5.352 -6.006 255 HD2 LYS 32 2HD LYS 32 -9.412 -4.686 -8.324 256 HD3 LYS 32 1HD LYS 32 -8.772 -6.239 -8.871 257 HE2 LYS 32 2HE LYS 32 -10.627 -7.366 -7.662 258 HE3 LYS 32 1HE LYS 32 -11.294 -5.780 -7.278 259 HZ1 LYS 32 3HZ LYS 32 -12.319 -6.858 -9.236 260 HZ2 LYS 32 1HZ LYS 32 -10.827 -6.770 -10.039 261 HZ3 LYS 32 2HZ LYS 32 -11.640 -5.346 -9.589 262 H THR 33 HN THR 33 -4.251 -6.726 -6.370 263 HA THR 33 HA THR 33 -5.315 -9.395 -6.182 264 HB THR 33 HB THR 33 -2.529 -8.460 -6.894 265 HG1 THR 33 1HG THR 33 -4.161 -7.740 -8.362 266 HG21 THR 33 3HG2 THR 33 -2.554 -10.803 -6.179 267 HG22 THR 33 1HG2 THR 33 -2.264 -10.676 -7.914 268 HG23 THR 33 2HG2 THR 33 -3.857 -11.143 -7.318 269 H TYR 34 HN TYR 34 -2.575 -7.687 -4.631 270 HA TYR 34 HA TYR 34 -2.085 -9.953 -2.919 271 HB2 TYR 34 2HB TYR 34 -0.802 -7.226 -3.052 272 HB3 TYR 34 1HB TYR 34 -0.315 -8.480 -1.917 273 HD1 TYR 34 2HD TYR 34 0.266 -10.804 -3.010 274 HD2 TYR 34 1HD TYR 34 0.282 -7.095 -5.093 275 HE1 TYR 34 2HE TYR 34 1.758 -11.773 -4.708 276 HE2 TYR 34 1HE TYR 34 1.775 -8.051 -6.795 277 HH TYR 34 HH TYR 34 3.427 -9.908 -6.960 278 H CYS 35 HN CYS 35 -3.229 -6.624 -2.412 279 HA CYS 35 HA CYS 35 -3.442 -7.069 0.432 280 HB2 CYS 35 2HB CYS 35 -4.313 -4.685 -1.208 281 HB3 CYS 35 1HB CYS 35 -4.115 -4.734 0.541 282 HG CYS 35 HG CYS 35 -1.333 -5.131 0.417 283 H GLY 36 HN GLY 36 -5.505 -7.220 -2.314 284 HA2 GLY 36 2HA GLY 36 -7.994 -6.519 -1.422 285 HA3 GLY 36 1HA GLY 36 -7.706 -7.810 -2.574 286 HA PRO 37 HA PRO 37 -9.199 -10.926 0.059 287 HB2 PRO 37 2HB PRO 37 -7.171 -12.721 0.480 288 HB3 PRO 37 1HB PRO 37 -8.097 -12.600 -1.020 289 HG2 PRO 37 2HG PRO 37 -5.412 -11.448 -0.353 290 HG3 PRO 37 1HG PRO 37 -5.940 -12.264 -1.836 291 HD2 PRO 37 2HD PRO 37 -5.756 -9.602 -1.703 292 HD3 PRO 37 1HD PRO 37 -7.059 -10.390 -2.617 293 H VAL 38 HN VAL 38 -6.287 -9.427 1.288 294 HA VAL 38 HA VAL 38 -6.660 -10.683 3.902 295 HB VAL 38 HB VAL 38 -4.411 -8.877 3.022 296 HG11 VAL 38 1HG1 VAL 38 -4.701 -8.994 5.442 297 HG12 VAL 38 2HG1 VAL 38 -3.224 -9.821 4.947 298 HG13 VAL 38 3HG1 VAL 38 -4.658 -10.756 5.371 299 HG21 VAL 38 3HG2 VAL 38 -4.458 -10.873 1.636 300 HG22 VAL 38 1HG2 VAL 38 -4.536 -11.889 3.077 301 HG23 VAL 38 2HG2 VAL 38 -3.095 -10.927 2.753 302 H ILE 39 HN ILE 39 -6.306 -7.398 2.532 303 HA ILE 39 HA ILE 39 -7.625 -6.376 4.965 304 HB ILE 39 HB ILE 39 -6.185 -4.355 4.826 305 HG12 ILE 39 2HG1 ILE 39 -4.580 -6.043 2.884 306 HG13 ILE 39 1HG1 ILE 39 -5.504 -4.601 2.466 307 HG21 ILE 39 1HG2 ILE 39 -4.206 -5.410 5.844 308 HG22 ILE 39 2HG2 ILE 39 -4.774 -6.983 5.280 309 HG23 ILE 39 3HG2 ILE 39 -5.717 -6.073 6.463 310 HD11 ILE 39 3HD1 ILE 39 -3.097 -4.719 4.269 311 HD12 ILE 39 1HD1 ILE 39 -4.030 -3.271 3.900 312 HD13 ILE 39 2HD1 ILE 39 -3.149 -4.100 2.619 313 H GLY 40 HN GLY 40 -8.070 -6.772 1.834 314 HA2 GLY 40 2HA GLY 40 -8.557 -4.259 0.709 315 HA3 GLY 40 1HA GLY 40 -9.297 -5.764 0.195 316 HA PRO 41 HA PRO 41 -13.164 -4.445 1.814 317 HB2 PRO 41 2HB PRO 41 -13.761 -6.888 3.271 318 HB3 PRO 41 1HB PRO 41 -14.414 -6.330 1.730 319 HG2 PRO 41 2HG PRO 41 -12.760 -8.474 1.948 320 HG3 PRO 41 1HG PRO 41 -12.826 -7.445 0.505 321 HD2 PRO 41 2HD PRO 41 -10.849 -7.423 2.762 322 HD3 PRO 41 1HD PRO 41 -10.564 -7.281 1.012 323 H LEU 42 HN LEU 42 -10.686 -4.869 3.930 324 HA LEU 42 HA LEU 42 -12.213 -4.407 6.354 325 HB2 LEU 42 2HB LEU 42 -9.225 -4.383 5.887 326 HB3 LEU 42 1HB LEU 42 -10.008 -4.245 7.448 327 HG LEU 42 HG LEU 42 -10.020 -6.654 5.632 328 HD11 LEU 42 1HD1 LEU 42 -8.835 -7.704 7.515 329 HD12 LEU 42 2HD1 LEU 42 -8.815 -6.148 8.348 330 HD13 LEU 42 3HD1 LEU 42 -7.941 -6.347 6.829 331 HD21 LEU 42 3HD2 LEU 42 -11.364 -6.293 8.311 332 HD22 LEU 42 1HD2 LEU 42 -11.294 -7.781 7.369 333 HD23 LEU 42 2HD2 LEU 42 -12.191 -6.391 6.758 334 H SER 43 HN SER 43 -11.807 -2.486 7.678 335 HA SER 43 HA SER 43 -12.156 -0.110 6.207 336 HB2 SER 43 2HB SER 43 -12.975 -0.523 8.557 337 HB3 SER 43 1HB SER 43 -11.319 -0.309 9.102 338 HG SER 43 HG SER 43 -13.104 1.571 8.018 339 H VAL 44 HN VAL 44 -10.790 1.551 5.724 340 HA VAL 44 HA VAL 44 -8.043 0.997 5.409 341 HB VAL 44 HB VAL 44 -9.301 2.581 3.985 342 HG11 VAL 44 1HG1 VAL 44 -9.713 4.872 4.768 343 HG12 VAL 44 2HG1 VAL 44 -9.191 4.403 6.388 344 HG13 VAL 44 3HG1 VAL 44 -10.638 3.682 5.685 345 HG21 VAL 44 3HG2 VAL 44 -6.875 2.653 4.002 346 HG22 VAL 44 1HG2 VAL 44 -6.902 3.787 5.351 347 HG23 VAL 44 2HG2 VAL 44 -7.545 4.268 3.779 348 H GLN 45 HN GLN 45 -9.858 2.327 8.037 349 HA GLN 45 HA GLN 45 -7.524 3.374 9.373 350 HB2 GLN 45 2HB GLN 45 -9.070 4.033 11.101 351 HB3 GLN 45 1HB GLN 45 -9.716 4.502 9.543 352 HG2 GLN 45 2HG GLN 45 -11.164 2.519 9.589 353 HG3 GLN 45 1HG GLN 45 -10.549 2.131 11.192 354 HE21 GLN 45 1HE2 GLN 45 -11.197 5.392 10.074 355 HE22 GLN 45 2HE2 GLN 45 -12.539 5.675 11.130 356 H ASP 46 HN ASP 46 -9.183 0.389 9.103 357 HA ASP 46 HA ASP 46 -8.353 -0.561 11.728 358 HB2 ASP 46 2HB ASP 46 -10.575 -1.138 10.710 359 HB3 ASP 46 1HB ASP 46 -9.712 -2.116 9.526 360 H VAL 47 HN VAL 47 -7.145 -0.531 8.538 361 HA VAL 47 HA VAL 47 -5.581 -2.907 8.617 362 HB VAL 47 HB VAL 47 -5.162 -0.398 6.980 363 HG11 VAL 47 1HG1 VAL 47 -3.813 -1.826 5.508 364 HG12 VAL 47 2HG1 VAL 47 -3.996 -3.162 6.645 365 HG13 VAL 47 3HG1 VAL 47 -3.118 -1.710 7.124 366 HG21 VAL 47 3HG2 VAL 47 -7.323 -1.440 6.553 367 HG22 VAL 47 1HG2 VAL 47 -6.534 -2.996 6.289 368 HG23 VAL 47 2HG2 VAL 47 -6.244 -1.660 5.175 369 H ASP 48 HN ASP 48 -3.958 -3.276 9.974 370 HA ASP 48 HA ASP 48 -2.328 -0.986 10.867 371 HB2 ASP 48 2HB ASP 48 -2.939 -3.576 12.308 372 HB3 ASP 48 1HB ASP 48 -1.759 -2.394 12.863 373 H THR 49 HN THR 49 -0.079 -1.781 11.659 374 HA THR 49 HA THR 49 1.374 -2.639 9.426 375 HB THR 49 HB THR 49 2.289 -2.752 12.305 376 HG1 THR 49 1HG THR 49 2.618 -0.547 10.548 377 HG21 THR 49 3HG2 THR 49 4.503 -2.290 11.330 378 HG22 THR 49 1HG2 THR 49 3.798 -2.368 9.715 379 HG23 THR 49 2HG2 THR 49 3.828 -3.807 10.734 380 H LYS 50 HN LYS 50 0.215 -4.358 12.259 381 HA LYS 50 HA LYS 50 1.457 -6.815 11.984 382 HB2 LYS 50 2HB LYS 50 -0.011 -6.089 13.852 383 HB3 LYS 50 1HB LYS 50 -1.402 -6.290 12.805 384 HG2 LYS 50 2HG LYS 50 -0.881 -8.684 12.609 385 HG3 LYS 50 1HG LYS 50 0.459 -8.464 13.737 386 HD2 LYS 50 2HD LYS 50 -2.462 -7.951 14.296 387 HD3 LYS 50 1HD LYS 50 -1.494 -9.287 14.924 388 HE2 LYS 50 2HE LYS 50 -0.200 -7.856 16.268 389 HE3 LYS 50 1HE LYS 50 -0.750 -6.419 15.406 390 HZ1 LYS 50 3HZ LYS 50 -2.400 -8.132 17.190 391 HZ2 LYS 50 1HZ LYS 50 -2.969 -6.789 16.322 392 HZ3 LYS 50 2HZ LYS 50 -1.814 -6.577 17.543 393 H LEU 51 HN LEU 51 -1.520 -5.648 10.484 394 HA LEU 51 HA LEU 51 -2.125 -8.030 9.089 395 HB2 LEU 51 2HB LEU 51 -2.944 -5.171 8.571 396 HB3 LEU 51 1HB LEU 51 -3.657 -6.564 7.793 397 HG LEU 51 HG LEU 51 -3.779 -5.911 10.726 398 HD11 LEU 51 1HD1 LEU 51 -5.203 -4.497 9.348 399 HD12 LEU 51 2HD1 LEU 51 -6.168 -5.617 10.308 400 HD13 LEU 51 3HD1 LEU 51 -5.906 -5.925 8.592 401 HD21 LEU 51 3HD2 LEU 51 -3.661 -8.327 10.353 402 HD22 LEU 51 1HD2 LEU 51 -5.002 -8.216 9.213 403 HD23 LEU 51 2HD2 LEU 51 -5.258 -7.838 10.918 404 H ILE 52 HN ILE 52 -0.364 -5.097 8.252 405 HA ILE 52 HA ILE 52 -0.058 -5.621 5.503 406 HB ILE 52 HB ILE 52 1.664 -3.969 7.351 407 HG12 ILE 52 2HG1 ILE 52 -0.545 -3.170 5.443 408 HG13 ILE 52 1HG1 ILE 52 -0.698 -3.260 7.195 409 HG21 ILE 52 1HG2 ILE 52 2.448 -2.847 5.298 410 HG22 ILE 52 2HG2 ILE 52 1.598 -4.058 4.337 411 HG23 ILE 52 3HG2 ILE 52 2.936 -4.539 5.382 412 HD11 ILE 52 3HD1 ILE 52 -0.404 -0.972 6.413 413 HD12 ILE 52 1HD1 ILE 52 1.146 -1.413 5.699 414 HD13 ILE 52 2HD1 ILE 52 0.930 -1.483 7.448 415 H MET 53 HN MET 53 1.985 -6.422 8.290 416 HA MET 53 HA MET 53 4.182 -7.416 6.836 417 HB2 MET 53 2HB MET 53 3.201 -8.096 9.612 418 HB3 MET 53 1HB MET 53 4.725 -8.671 8.948 419 HG2 MET 53 2HG MET 53 5.449 -6.334 8.665 420 HG3 MET 53 1HG MET 53 3.945 -5.802 9.416 421 HE1 MET 53 3HE MET 53 3.514 -7.963 11.694 422 HE2 MET 53 1HE MET 53 3.314 -6.229 11.934 423 HE3 MET 53 2HE MET 53 4.305 -7.164 13.054 424 H LYS 54 HN LYS 54 1.183 -8.917 7.865 425 HA LYS 54 HA LYS 54 1.868 -11.579 7.219 426 HB2 LYS 54 2HB LYS 54 -0.843 -10.238 7.255 427 HB3 LYS 54 1HB LYS 54 -0.578 -11.974 7.167 428 HG2 LYS 54 2HG LYS 54 0.554 -11.880 9.358 429 HG3 LYS 54 1HG LYS 54 0.181 -10.158 9.446 430 HD2 LYS 54 2HD LYS 54 -1.460 -11.390 10.716 431 HD3 LYS 54 1HD LYS 54 -2.227 -10.714 9.277 432 HE2 LYS 54 2HE LYS 54 -2.046 -12.876 8.156 433 HE3 LYS 54 1HE LYS 54 -1.249 -13.552 9.576 434 HZ1 LYS 54 3HZ LYS 54 -3.581 -14.130 9.541 435 HZ2 LYS 54 1HZ LYS 54 -4.023 -12.496 9.482 436 HZ3 LYS 54 2HZ LYS 54 -3.258 -13.117 10.860 437 H VAL 55 HN VAL 55 0.522 -8.928 5.342 438 HA VAL 55 HA VAL 55 -0.066 -10.447 3.016 439 HB VAL 55 HB VAL 55 0.500 -7.482 3.203 440 HG11 VAL 55 1HG1 VAL 55 -1.036 -9.069 1.149 441 HG12 VAL 55 2HG1 VAL 55 0.547 -8.331 0.919 442 HG13 VAL 55 3HG1 VAL 55 -0.869 -7.315 1.182 443 HG21 VAL 55 3HG2 VAL 55 -1.258 -8.087 4.756 444 HG22 VAL 55 1HG2 VAL 55 -2.113 -8.959 3.482 445 HG23 VAL 55 2HG2 VAL 55 -1.930 -7.207 3.384 446 H LEU 56 HN LEU 56 2.704 -8.465 3.990 447 HA LEU 56 HA LEU 56 3.960 -8.578 1.440 448 HB2 LEU 56 2HB LEU 56 5.025 -7.776 4.141 449 HB3 LEU 56 1HB LEU 56 5.911 -7.592 2.640 450 HG LEU 56 HG LEU 56 3.316 -6.217 3.351 451 HD11 LEU 56 1HD1 LEU 56 4.680 -4.186 3.343 452 HD12 LEU 56 2HD1 LEU 56 6.123 -5.159 3.051 453 HD13 LEU 56 3HD1 LEU 56 5.232 -5.335 4.563 454 HD21 LEU 56 3HD2 LEU 56 3.617 -4.990 1.263 455 HD22 LEU 56 1HD2 LEU 56 3.451 -6.720 0.961 456 HD23 LEU 56 2HD2 LEU 56 5.041 -5.960 0.889 457 H ASP 57 HN ASP 57 4.167 -10.572 4.305 458 HA ASP 57 HA ASP 57 6.707 -11.619 4.126 459 HB2 ASP 57 2HB ASP 57 4.970 -12.053 5.925 460 HB3 ASP 57 1HB ASP 57 4.316 -13.288 4.877 461 HA PRO 58 HA PRO 58 5.278 -15.227 1.273 462 HB2 PRO 58 2HB PRO 58 2.888 -15.024 -0.002 463 HB3 PRO 58 1HB PRO 58 3.083 -15.793 1.576 464 HG2 PRO 58 2HG PRO 58 2.113 -13.043 0.916 465 HG3 PRO 58 1HG PRO 58 1.496 -14.190 2.119 466 HD2 PRO 58 2HD PRO 58 3.098 -12.098 2.764 467 HD3 PRO 58 1HD PRO 58 3.108 -13.624 3.664 468 H ILE 59 HN ILE 59 4.822 -11.897 0.519 469 HA ILE 59 HA ILE 59 4.901 -12.236 -2.338 470 HB ILE 59 HB ILE 59 5.450 -9.691 -0.794 471 HG12 ILE 59 2HG1 ILE 59 2.831 -10.730 -1.913 472 HG13 ILE 59 1HG1 ILE 59 3.243 -10.633 -0.203 473 HG21 ILE 59 1HG2 ILE 59 4.778 -8.597 -2.887 474 HG22 ILE 59 2HG2 ILE 59 4.580 -10.176 -3.647 475 HG23 ILE 59 3HG2 ILE 59 6.178 -9.644 -3.123 476 HD11 ILE 59 3HD1 ILE 59 1.790 -8.806 -0.886 477 HD12 ILE 59 1HD1 ILE 59 2.979 -8.298 -2.088 478 HD13 ILE 59 2HD1 ILE 59 3.365 -8.207 -0.368 479 H TRP 60 HN TRP 60 7.223 -11.571 0.230 480 HA TRP 60 HA TRP 60 9.453 -10.936 -1.364 481 HB2 TRP 60 2HB TRP 60 9.337 -12.294 1.343 482 HB3 TRP 60 1HB TRP 60 10.816 -11.705 0.595 483 HD1 TRP 60 1HD TRP 60 8.063 -10.635 2.825 484 HE1 TRP 60 1HE TRP 60 8.211 -8.108 3.279 485 HE3 TRP 60 3HE TRP 60 11.471 -9.363 -0.764 486 HZ2 TRP 60 2HZ TRP 60 9.590 -5.871 2.257 487 HZ3 TRP 60 3HZ TRP 60 12.154 -7.006 -0.959 488 HH2 TRP 60 2HH TRP 60 11.231 -5.299 0.521 489 H GLU 61 HN GLU 61 7.930 -13.951 -0.613 490 HA GLU 61 HA GLU 61 9.990 -15.728 -1.301 491 HB2 GLU 61 2HB GLU 61 6.996 -15.872 -1.143 492 HB3 GLU 61 1HB GLU 61 7.929 -17.234 -1.716 493 HG2 GLU 61 2HG GLU 61 8.697 -16.010 0.870 494 HG3 GLU 61 1HG GLU 61 7.232 -16.988 0.805 495 H GLN 62 HN GLN 62 7.505 -14.073 -3.172 496 HA GLN 62 HA GLN 62 8.243 -15.607 -5.550 497 HB2 GLN 62 2HB GLN 62 5.848 -13.879 -4.949 498 HB3 GLN 62 1HB GLN 62 6.129 -14.692 -6.479 499 HG2 GLN 62 2HG GLN 62 6.070 -16.852 -5.341 500 HG3 GLN 62 1HG GLN 62 5.778 -16.029 -3.809 501 HE21 GLN 62 1HE2 GLN 62 4.152 -17.982 -5.290 502 HE22 GLN 62 2HE2 GLN 62 2.618 -17.221 -5.534 503 H LYS 63 HN LYS 63 7.578 -12.243 -4.579 504 HA LYS 63 HA LYS 63 9.294 -11.320 -6.762 505 HB2 LYS 63 2HB LYS 63 6.434 -10.423 -6.351 506 HB3 LYS 63 1HB LYS 63 7.578 -9.646 -7.432 507 HG2 LYS 63 2HG LYS 63 7.732 -11.716 -8.743 508 HG3 LYS 63 1HG LYS 63 6.553 -12.470 -7.666 509 HD2 LYS 63 2HD LYS 63 4.898 -10.784 -8.294 510 HD3 LYS 63 1HD LYS 63 6.078 -10.014 -9.354 511 HE2 LYS 63 2HE LYS 63 4.615 -11.370 -10.687 512 HE3 LYS 63 1HE LYS 63 6.210 -12.118 -10.659 513 HZ1 LYS 63 3HZ LYS 63 3.966 -12.942 -8.895 514 HZ2 LYS 63 1HZ LYS 63 5.452 -13.731 -9.095 515 HZ3 LYS 63 2HZ LYS 63 4.335 -13.692 -10.367 516 HA PRO 64 HA PRO 64 10.188 -9.138 -2.794 517 HB2 PRO 64 2HB PRO 64 12.772 -8.808 -4.201 518 HB3 PRO 64 1HB PRO 64 12.450 -9.376 -2.560 519 HG2 PRO 64 2HG PRO 64 13.197 -11.070 -4.481 520 HG3 PRO 64 1HG PRO 64 12.007 -11.540 -3.254 521 HD2 PRO 64 2HD PRO 64 11.575 -10.736 -6.104 522 HD3 PRO 64 1HD PRO 64 10.763 -11.992 -5.149 523 H GLU 65 HN GLU 65 11.050 -8.134 -6.093 524 HA GLU 65 HA GLU 65 11.411 -5.393 -5.449 525 HB2 GLU 65 2HB GLU 65 12.368 -6.425 -7.468 526 HB3 GLU 65 1HB GLU 65 10.749 -6.668 -8.100 527 HG2 GLU 65 2HG GLU 65 10.396 -4.279 -8.214 528 HG3 GLU 65 1HG GLU 65 11.982 -3.995 -7.500 529 H THR 66 HN THR 66 8.694 -7.315 -6.560 530 HA THR 66 HA THR 66 6.913 -5.156 -7.018 531 HB THR 66 HB THR 66 6.093 -7.957 -6.246 532 HG1 THR 66 1HG THR 66 6.732 -7.050 -8.879 533 HG21 THR 66 3HG2 THR 66 4.850 -5.916 -8.098 534 HG22 THR 66 1HG2 THR 66 4.294 -6.288 -6.465 535 HG23 THR 66 2HG2 THR 66 4.200 -7.513 -7.730 536 H ALA 67 HN ALA 67 7.666 -7.156 -4.230 537 HA ALA 67 HA ALA 67 5.660 -6.237 -2.487 538 HB1 ALA 67 1HB ALA 67 7.091 -7.048 -0.684 539 HB2 ALA 67 2HB ALA 67 8.447 -7.174 -1.803 540 HB3 ALA 67 3HB ALA 67 7.036 -8.212 -2.008 541 H SER 68 HN SER 68 8.921 -5.058 -3.151 542 HA SER 68 HA SER 68 8.938 -2.984 -1.237 543 HB2 SER 68 2HB SER 68 10.454 -3.142 -3.858 544 HB3 SER 68 1HB SER 68 10.866 -2.130 -2.474 545 HG SER 68 HG SER 68 10.845 -4.972 -2.560 546 H ARG 69 HN ARG 69 8.027 -3.071 -4.660 547 HA ARG 69 HA ARG 69 7.467 -0.327 -4.939 548 HB2 ARG 69 2HB ARG 69 6.647 -2.799 -6.435 549 HB3 ARG 69 1HB ARG 69 6.018 -1.227 -6.877 550 HG2 ARG 69 2HG ARG 69 8.311 -0.412 -7.199 551 HG3 ARG 69 1HG ARG 69 8.906 -2.027 -6.816 552 HD2 ARG 69 2HD ARG 69 7.835 -2.954 -8.740 553 HD3 ARG 69 1HD ARG 69 6.985 -1.441 -9.056 554 HE ARG 69 HE ARG 69 9.721 -0.898 -9.094 555 HH11 ARG 69 1HH1 ARG 69 7.375 -2.749 -10.922 556 HH12 ARG 69 2HH1 ARG 69 8.238 -2.590 -12.426 557 HH21 ARG 69 1HH2 ARG 69 10.834 -0.656 -11.067 558 HH22 ARG 69 2HH2 ARG 69 10.193 -1.377 -12.508 559 H LEU 70 HN LEU 70 5.387 -3.107 -4.180 560 HA LEU 70 HA LEU 70 2.968 -1.675 -3.995 561 HB2 LEU 70 2HB LEU 70 3.073 -4.118 -4.177 562 HB3 LEU 70 1HB LEU 70 3.817 -4.215 -2.593 563 HG LEU 70 HG LEU 70 1.742 -3.260 -1.606 564 HD11 LEU 70 1HD1 LEU 70 0.921 -2.085 -3.577 565 HD12 LEU 70 2HD1 LEU 70 -0.290 -3.206 -2.955 566 HD13 LEU 70 3HD1 LEU 70 0.645 -3.626 -4.391 567 HD21 LEU 70 3HD2 LEU 70 2.111 -5.653 -1.600 568 HD22 LEU 70 1HD2 LEU 70 1.423 -5.787 -3.219 569 HD23 LEU 70 2HD2 LEU 70 0.402 -5.303 -1.863 570 H ARG 71 HN ARG 71 5.554 -2.283 -1.727 571 HA ARG 71 HA ARG 71 4.339 -1.572 0.669 572 HB2 ARG 71 2HB ARG 71 6.778 -2.445 0.054 573 HB3 ARG 71 1HB ARG 71 7.163 -0.734 0.174 574 HG2 ARG 71 2HG ARG 71 5.917 -2.424 2.334 575 HG3 ARG 71 1HG ARG 71 7.599 -1.897 2.265 576 HD2 ARG 71 2HD ARG 71 7.083 0.270 2.808 577 HD3 ARG 71 1HD ARG 71 5.454 0.164 2.138 578 HE ARG 71 HE ARG 71 6.308 -0.589 4.803 579 HH11 ARG 71 1HH1 ARG 71 3.796 -0.640 2.372 580 HH12 ARG 71 2HH1 ARG 71 2.545 -1.095 3.480 581 HH21 ARG 71 1HH2 ARG 71 4.664 -1.184 6.281 582 HH22 ARG 71 2HH2 ARG 71 3.038 -1.386 5.718 583 H GLY 72 HN GLY 72 6.069 0.483 -1.665 584 HA2 GLY 72 2HA GLY 72 5.832 2.880 -0.191 585 HA3 GLY 72 1HA GLY 72 6.153 2.763 -1.915 586 H ARG 73 HN ARG 73 3.726 1.343 -2.538 587 HA ARG 73 HA ARG 73 2.035 3.516 -3.077 588 HB2 ARG 73 2HB ARG 73 1.307 0.580 -3.053 589 HB3 ARG 73 1HB ARG 73 0.435 1.861 -3.884 590 HG2 ARG 73 2HG ARG 73 2.409 2.255 -5.297 591 HG3 ARG 73 1HG ARG 73 3.227 0.916 -4.490 592 HD2 ARG 73 2HD ARG 73 1.408 -0.588 -5.236 593 HD3 ARG 73 1HD ARG 73 0.696 0.764 -6.120 594 HE ARG 73 HE ARG 73 3.374 0.481 -6.920 595 HH11 ARG 73 1HH1 ARG 73 0.319 -1.210 -7.198 596 HH12 ARG 73 2HH1 ARG 73 0.730 -1.967 -8.706 597 HH21 ARG 73 1HH2 ARG 73 3.909 -0.488 -8.893 598 HH22 ARG 73 2HH2 ARG 73 2.782 -1.549 -9.674 599 H ILE 74 HN ILE 74 1.796 0.935 -0.664 600 HA ILE 74 HA ILE 74 -0.678 1.649 0.432 601 HB ILE 74 HB ILE 74 1.661 0.378 1.872 602 HG12 ILE 74 2HG1 ILE 74 -0.610 -0.919 0.349 603 HG13 ILE 74 1HG1 ILE 74 1.055 -0.808 -0.215 604 HG21 ILE 74 1HG2 ILE 74 -0.061 1.147 3.402 605 HG22 ILE 74 2HG2 ILE 74 -0.064 -0.615 3.310 606 HG23 ILE 74 3HG2 ILE 74 -1.297 0.316 2.456 607 HD11 ILE 74 3HD1 ILE 74 0.132 -2.286 2.242 608 HD12 ILE 74 1HD1 ILE 74 1.784 -2.205 1.634 609 HD13 ILE 74 2HD1 ILE 74 0.535 -3.015 0.688 610 H GLU 75 HN GLU 75 2.592 2.712 1.205 611 HA GLU 75 HA GLU 75 2.037 4.296 3.471 612 HB2 GLU 75 2HB GLU 75 4.293 3.584 2.651 613 HB3 GLU 75 1HB GLU 75 4.142 4.755 1.350 614 HG2 GLU 75 2HG GLU 75 3.901 6.526 3.116 615 HG3 GLU 75 1HG GLU 75 4.349 5.291 4.297 616 H SER 76 HN SER 76 2.180 5.132 0.012 617 HA SER 76 HA SER 76 1.650 7.870 0.314 618 HB2 SER 76 2HB SER 76 0.974 6.106 -2.033 619 HB3 SER 76 1HB SER 76 1.131 7.860 -2.065 620 HG SER 76 HG SER 76 3.362 6.914 -1.010 621 H VAL 77 HN VAL 77 -0.529 5.111 -0.146 622 HA VAL 77 HA VAL 77 -2.893 6.670 -0.414 623 HB VAL 77 HB VAL 77 -2.605 3.767 0.394 624 HG11 VAL 77 1HG1 VAL 77 -4.760 4.647 1.075 625 HG12 VAL 77 2HG1 VAL 77 -4.944 3.541 -0.285 626 HG13 VAL 77 3HG1 VAL 77 -5.034 5.283 -0.548 627 HG21 VAL 77 3HG2 VAL 77 -3.160 5.029 -2.288 628 HG22 VAL 77 1HG2 VAL 77 -3.162 3.298 -1.948 629 HG23 VAL 77 2HG2 VAL 77 -1.668 4.224 -1.800 630 H LEU 78 HN LEU 78 -1.460 4.923 2.347 631 HA LEU 78 HA LEU 78 -3.589 5.464 4.114 632 HB2 LEU 78 2HB LEU 78 -0.710 4.774 4.656 633 HB3 LEU 78 1HB LEU 78 -1.916 4.926 5.919 634 HG LEU 78 HG LEU 78 -1.945 2.919 3.664 635 HD11 LEU 78 1HD1 LEU 78 -1.620 1.277 5.431 636 HD12 LEU 78 2HD1 LEU 78 -1.533 2.569 6.627 637 HD13 LEU 78 3HD1 LEU 78 -0.289 2.433 5.385 638 HD21 LEU 78 3HD2 LEU 78 -3.906 1.976 4.763 639 HD22 LEU 78 1HD2 LEU 78 -4.206 3.639 4.258 640 HD23 LEU 78 2HD2 LEU 78 -3.876 3.279 5.953 641 H ASP 79 HN ASP 79 -0.575 7.209 3.484 642 HA ASP 79 HA ASP 79 -0.847 9.157 5.502 643 HB2 ASP 79 2HB ASP 79 1.212 8.795 4.123 644 HB3 ASP 79 1HB ASP 79 0.382 9.537 2.760 645 H TRP 80 HN TRP 80 -1.904 9.083 2.146 646 HA TRP 80 HA TRP 80 -3.169 11.569 1.987 647 HB2 TRP 80 2HB TRP 80 -2.656 10.178 0.044 648 HB3 TRP 80 1HB TRP 80 -3.791 8.955 0.591 649 HD1 TRP 80 1HD TRP 80 -3.750 12.529 -0.851 650 HE1 TRP 80 1HE TRP 80 -5.988 12.933 -2.063 651 HE3 TRP 80 3HE TRP 80 -6.156 8.209 0.459 652 HZ2 TRP 80 2HZ TRP 80 -8.454 11.584 -2.402 653 HZ3 TRP 80 3HZ TRP 80 -8.451 7.847 -0.350 654 HH2 TRP 80 2HH TRP 80 -9.573 9.500 -1.749 655 H ALA 81 HN ALA 81 -4.531 8.377 2.771 656 HA ALA 81 HA ALA 81 -7.182 9.175 3.132 657 HB1 ALA 81 1HB ALA 81 -5.734 6.922 4.516 658 HB2 ALA 81 2HB ALA 81 -6.469 6.845 2.915 659 HB3 ALA 81 3HB ALA 81 -7.482 7.088 4.339 660 H THR 82 HN THR 82 -4.476 9.216 5.378 661 HA THR 82 HA THR 82 -6.007 9.685 7.716 662 HB THR 82 HB THR 82 -3.123 10.448 7.225 663 HG1 THR 82 1HG THR 82 -3.232 8.279 6.834 664 HG21 THR 82 3HG2 THR 82 -4.619 9.823 9.774 665 HG22 THR 82 1HG2 THR 82 -4.079 11.421 9.258 666 HG23 THR 82 2HG2 THR 82 -2.895 10.174 9.650 667 H VAL 83 HN VAL 83 -4.483 11.826 5.351 668 HA VAL 83 HA VAL 83 -5.113 14.213 6.828 669 HB VAL 83 HB VAL 83 -4.299 13.958 3.929 670 HG11 VAL 83 1HG1 VAL 83 -5.303 16.121 4.473 671 HG12 VAL 83 2HG1 VAL 83 -3.577 16.283 4.148 672 HG13 VAL 83 3HG1 VAL 83 -4.168 16.315 5.810 673 HG21 VAL 83 3HG2 VAL 83 -2.640 12.926 5.388 674 HG22 VAL 83 1HG2 VAL 83 -2.587 14.384 6.378 675 HG23 VAL 83 2HG2 VAL 83 -2.022 14.431 4.707 676 H ARG 84 HN ARG 84 -6.572 12.361 4.229 677 HA ARG 84 HA ARG 84 -8.506 14.316 3.487 678 HB2 ARG 84 2HB ARG 84 -8.404 11.332 3.034 679 HB3 ARG 84 1HB ARG 84 -9.640 12.380 2.352 680 HG2 ARG 84 2HG ARG 84 -6.681 12.557 1.828 681 HG3 ARG 84 1HG ARG 84 -7.899 11.905 0.729 682 HD2 ARG 84 2HD ARG 84 -7.728 14.749 1.722 683 HD3 ARG 84 1HD ARG 84 -7.291 14.182 0.112 684 HE ARG 84 HE ARG 84 -9.775 13.458 0.070 685 HH11 ARG 84 1HH1 ARG 84 -8.484 16.324 1.588 686 HH12 ARG 84 2HH1 ARG 84 -9.930 17.260 1.362 687 HH21 ARG 84 1HH2 ARG 84 -11.698 14.674 -0.234 688 HH22 ARG 84 2HH2 ARG 84 -11.770 16.302 0.364 689 H GLY 85 HN GLY 85 -8.372 11.908 5.987 690 HA2 GLY 85 2HA GLY 85 -9.726 12.205 7.941 691 HA3 GLY 85 1HA GLY 85 -10.975 12.905 6.925 692 H TYR 86 HN TYR 86 -9.400 10.011 5.850 693 HA TYR 86 HA TYR 86 -11.890 8.549 6.299 694 HB2 TYR 86 2HB TYR 86 -9.433 7.815 4.688 695 HB3 TYR 86 1HB TYR 86 -10.887 6.826 4.817 696 HD1 TYR 86 1HD TYR 86 -13.129 8.214 4.260 697 HD2 TYR 86 2HD TYR 86 -9.243 9.119 2.793 698 HE1 TYR 86 1HE TYR 86 -14.129 9.435 2.374 699 HE2 TYR 86 2HE TYR 86 -10.233 10.339 0.901 700 HH TYR 86 HH TYR 86 -13.437 11.298 0.829 701 H ARG 87 HN ARG 87 -8.898 9.003 7.711 702 HA ARG 87 HA ARG 87 -9.393 7.055 9.734 703 HB2 ARG 87 2HB ARG 87 -7.377 5.724 9.450 704 HB3 ARG 87 1HB ARG 87 -8.368 5.610 8.002 705 HG2 ARG 87 2HG ARG 87 -6.927 7.210 6.871 706 HG3 ARG 87 1HG ARG 87 -5.945 7.367 8.329 707 HD2 ARG 87 2HD ARG 87 -6.302 4.917 6.610 708 HD3 ARG 87 1HD ARG 87 -4.833 5.867 6.825 709 HE ARG 87 HE ARG 87 -5.843 3.814 8.552 710 HH11 ARG 87 1HH1 ARG 87 -3.885 6.725 8.438 711 HH12 ARG 87 2HH1 ARG 87 -2.927 6.280 9.816 712 HH21 ARG 87 1HH2 ARG 87 -4.590 3.248 10.401 713 HH22 ARG 87 2HH2 ARG 87 -3.338 4.324 10.928 714 H GLU 88 HN GLU 88 -8.024 7.369 11.553 715 HA GLU 88 HA GLU 88 -6.276 9.729 11.383 716 HB2 GLU 88 2HB GLU 88 -8.104 8.881 13.636 717 HB3 GLU 88 1HB GLU 88 -6.865 10.119 13.799 718 HG2 GLU 88 2HG GLU 88 -7.964 11.468 12.101 719 HG3 GLU 88 1HG GLU 88 -9.185 10.217 11.876 720 H GLY 89 HN GLY 89 -4.704 9.741 13.338 721 HA2 GLY 89 2HA GLY 89 -3.364 8.425 14.835 722 HA3 GLY 89 1HA GLY 89 -3.796 6.998 13.900 723 H ASP 90 HN ASP 90 -1.677 6.364 13.480 724 HA ASP 90 HA ASP 90 -0.031 8.264 11.954 725 HB2 ASP 90 2HB ASP 90 0.736 6.867 14.110 726 HB3 ASP 90 1HB ASP 90 1.082 5.657 12.881 727 H ASN 91 HN ASN 91 1.595 6.628 10.571 728 HA ASN 91 HA ASN 91 -0.230 5.331 8.663 729 HB2 ASN 91 2HB ASN 91 1.216 7.205 7.808 730 HB3 ASN 91 1HB ASN 91 2.626 6.207 8.158 731 HD21 ASN 91 1HD2 ASN 91 1.994 7.157 5.580 732 HD22 ASN 91 2HD2 ASN 91 1.600 5.809 4.581 733 HA PRO 92 HA PRO 92 1.590 1.632 10.703 734 HB2 PRO 92 2HB PRO 92 -0.066 -0.063 9.256 735 HB3 PRO 92 1HB PRO 92 -0.433 0.616 10.844 736 HG2 PRO 92 2HG PRO 92 -1.290 1.546 8.137 737 HG3 PRO 92 1HG PRO 92 -2.223 1.476 9.644 738 HD2 PRO 92 2HD PRO 92 -1.241 3.785 8.739 739 HD3 PRO 92 1HD PRO 92 -1.242 3.417 10.477 740 H ALA 93 HN ALA 93 1.512 2.642 7.405 741 HA ALA 93 HA ALA 93 3.085 0.394 6.438 742 HB1 ALA 93 1HB ALA 93 1.450 1.425 4.953 743 HB2 ALA 93 2HB ALA 93 3.080 1.582 4.298 744 HB3 ALA 93 3HB ALA 93 2.301 2.966 5.066 745 H ARG 94 HN ARG 94 3.629 3.228 8.088 746 HA ARG 94 HA ARG 94 6.233 3.884 7.024 747 HB2 ARG 94 2HB ARG 94 4.700 5.561 7.943 748 HB3 ARG 94 1HB ARG 94 4.752 4.774 9.500 749 HG2 ARG 94 2HG ARG 94 7.144 5.364 9.674 750 HG3 ARG 94 1HG ARG 94 6.994 6.241 8.142 751 HD2 ARG 94 2HD ARG 94 5.172 7.585 9.141 752 HD3 ARG 94 1HD ARG 94 5.439 6.764 10.673 753 HE ARG 94 HE ARG 94 7.777 8.088 9.621 754 HH11 ARG 94 1HH1 ARG 94 4.872 8.399 11.562 755 HH12 ARG 94 2HH1 ARG 94 5.443 9.794 12.433 756 HH21 ARG 94 1HH2 ARG 94 8.531 9.938 10.773 757 HH22 ARG 94 2HH2 ARG 94 7.532 10.631 12.013 758 H TRP 95 HN TRP 95 8.153 3.236 7.819 759 HA TRP 95 HA TRP 95 8.119 1.441 10.156 760 HB2 TRP 95 2HB TRP 95 8.737 0.751 7.419 761 HB3 TRP 95 1HB TRP 95 10.117 0.447 8.469 762 HD1 TRP 95 1HD TRP 95 8.922 -0.763 11.005 763 HE1 TRP 95 1HE TRP 95 7.617 -2.984 10.983 764 HE3 TRP 95 3HE TRP 95 7.593 -0.881 6.066 765 HZ2 TRP 95 2HZ TRP 95 6.216 -4.573 9.117 766 HZ3 TRP 95 3HZ TRP 95 6.274 -2.786 5.247 767 HH2 TRP 95 2HH TRP 95 5.604 -4.596 6.741 768 H ARG 96 HN ARG 96 10.009 3.568 8.084 769 HA ARG 96 HA ARG 96 12.017 4.501 8.182 770 HB2 ARG 96 2HB ARG 96 11.540 4.334 11.144 771 HB3 ARG 96 1HB ARG 96 12.720 5.339 10.336 772 HG2 ARG 96 2HG ARG 96 10.998 6.609 9.246 773 HG3 ARG 96 1HG ARG 96 9.760 5.548 9.920 774 HD2 ARG 96 2HD ARG 96 11.658 7.183 11.593 775 HD3 ARG 96 1HD ARG 96 10.057 7.738 11.108 776 HE ARG 96 HE ARG 96 9.144 5.828 12.369 777 HH11 ARG 96 1HH1 ARG 96 12.427 6.846 13.047 778 HH12 ARG 96 2HH1 ARG 96 12.409 6.278 14.689 779 HH21 ARG 96 1HH2 ARG 96 9.102 5.086 14.523 780 HH22 ARG 96 2HH2 ARG 96 10.511 5.253 15.527 781 H GLY 97 HN GLY 97 11.731 1.616 10.126 782 HA2 GLY 97 2HA GLY 97 14.416 0.853 9.226 783 HA3 GLY 97 1HA GLY 97 14.024 0.721 10.938 784 H TYR 98 HN TYR 98 13.375 -0.523 7.745 785 HA TYR 98 HA TYR 98 11.413 -2.411 8.638 786 HB2 TYR 98 2HB TYR 98 11.439 -3.221 6.328 787 HB3 TYR 98 1HB TYR 98 11.269 -1.478 6.393 788 HD1 TYR 98 1HD TYR 98 13.698 -0.227 6.291 789 HD2 TYR 98 2HD TYR 98 12.779 -4.057 4.686 790 HE1 TYR 98 1HE TYR 98 15.540 0.013 4.684 791 HE2 TYR 98 2HE TYR 98 14.631 -3.834 3.084 792 HH TYR 98 HH TYR 98 15.919 -1.927 1.996 793 H LEU 99 HN LEU 99 11.995 -4.734 7.369 794 HA LEU 99 HA LEU 99 13.111 -6.239 9.317 795 HB2 LEU 99 2HB LEU 99 13.245 -6.851 6.367 796 HB3 LEU 99 1HB LEU 99 13.377 -8.024 7.662 797 HG LEU 99 HG LEU 99 10.924 -6.368 7.056 798 HD11 LEU 99 1HD1 LEU 99 9.953 -8.483 6.309 799 HD12 LEU 99 2HD1 LEU 99 11.502 -9.284 6.563 800 HD13 LEU 99 3HD1 LEU 99 11.351 -8.030 5.334 801 HD21 LEU 99 3HD2 LEU 99 11.115 -6.905 9.424 802 HD22 LEU 99 1HD2 LEU 99 11.358 -8.606 9.031 803 HD23 LEU 99 2HD2 LEU 99 9.815 -7.830 8.672 804 H GLU 100 HN GLU 100 14.911 -5.680 6.279 805 HA GLU 100 HA GLU 100 17.341 -5.276 7.817 806 HB2 GLU 100 2HB GLU 100 17.204 -7.725 7.445 807 HB3 GLU 100 1HB GLU 100 17.144 -7.439 5.711 808 HG2 GLU 100 2HG GLU 100 19.360 -6.544 5.718 809 HG3 GLU 100 1HG GLU 100 19.422 -6.587 7.478 810 H HIS 101 HN HIS 101 18.610 -3.783 6.887 811 HA HIS 101 HA HIS 101 17.544 -2.365 4.655 812 HB2 HIS 101 2HB HIS 101 18.682 -1.252 6.562 813 HB3 HIS 101 1HB HIS 101 20.202 -1.978 6.050 814 HD1 HIS 101 1HD HIS 101 21.606 -0.499 4.657 815 HD2 HIS 101 2HD HIS 101 17.564 0.441 4.321 816 HE1 HIS 101 1HE HIS 101 21.496 1.514 3.151 817 HE2 HIS 101 2HE HIS 101 19.052 2.128 3.034 818 H HIS 102 HN HIS 102 17.764 -2.996 2.636 819 HA HIS 102 HA HIS 102 20.351 -4.105 1.758 820 HB2 HIS 102 2HB HIS 102 17.548 -4.923 1.032 821 HB3 HIS 102 1HB HIS 102 18.877 -5.205 -0.086 822 HD1 HIS 102 1HD HIS 102 19.546 -7.562 0.056 823 HD2 HIS 102 2HD HIS 102 18.588 -6.015 3.796 824 HE1 HIS 102 1HE HIS 102 19.950 -9.433 1.689 825 HE2 HIS 102 2HE HIS 102 19.559 -8.411 3.963 826 H HIS 103 HN HIS 103 21.158 -3.356 -0.201 827 HA HIS 103 HA HIS 103 19.724 -1.601 -1.921 828 HB2 HIS 103 2HB HIS 103 20.035 -0.129 0.088 829 HB3 HIS 103 1HB HIS 103 21.774 -0.273 -0.134 830 HD1 HIS 103 1HD HIS 103 22.742 1.657 -1.318 831 HD2 HIS 103 2HD HIS 103 18.814 0.945 -2.480 832 HE1 HIS 103 1HE HIS 103 22.179 3.479 -2.959 833 HE2 HIS 103 2HE HIS 103 19.718 3.170 -3.442 834 H HIS 104 HN HIS 104 20.617 -2.097 -3.820 835 HA HIS 104 HA HIS 104 23.550 -2.369 -3.929 836 HB2 HIS 104 2HB HIS 104 23.376 -4.048 -5.626 837 HB3 HIS 104 1HB HIS 104 22.327 -4.534 -4.306 838 HD1 HIS 104 1HD HIS 104 19.819 -4.728 -4.793 839 HD2 HIS 104 2HD HIS 104 22.058 -3.343 -8.018 840 HE1 HIS 104 1HE HIS 104 18.286 -4.826 -6.779 841 HE2 HIS 104 2HE HIS 104 19.719 -4.179 -8.748 842 H HIS 105 HN HIS 105 24.585 -1.588 -5.835 843 HA HIS 105 HA HIS 105 23.117 -0.156 -7.840 844 HB2 HIS 105 2HB HIS 105 23.097 1.393 -5.798 845 HB3 HIS 105 1HB HIS 105 24.838 1.531 -6.011 846 HD1 HIS 105 1HD HIS 105 25.641 2.716 -8.283 847 HD2 HIS 105 2HD HIS 105 21.579 2.968 -7.427 848 HE1 HIS 105 1HE HIS 105 24.755 4.560 -9.740 849 HE2 HIS 105 2HE HIS 105 22.288 4.688 -9.226 850 H HIS 106 HN HIS 106 24.324 -0.309 -9.648 851 HA HIS 106 HA HIS 106 27.196 -0.043 -9.542 852 HB2 HIS 106 2HB HIS 106 26.798 -2.441 -8.918 853 HB3 HIS 106 1HB HIS 106 26.025 -2.676 -10.481 854 HD1 HIS 106 1HD HIS 106 29.300 -2.622 -8.830 855 HD2 HIS 106 2HD HIS 106 27.838 -2.404 -12.714 856 HE1 HIS 106 1HE HIS 106 31.271 -3.067 -10.319 857 HE2 HIS 106 2HE HIS 106 30.403 -2.725 -12.661 Start of MODEL 5 1 H1 MET 1 H1 MET 1 -16.115 2.646 5.357 2 H2 MET 1 H2 MET 1 -16.217 4.327 5.137 3 H3 MET 1 H3 MET 1 -15.009 3.677 6.127 4 HA MET 1 HA MET 1 -15.260 3.295 3.204 5 HB2 MET 1 2HB MET 1 -14.498 5.516 3.679 6 HB3 MET 1 1HB MET 1 -13.400 4.941 4.922 7 HG2 MET 1 2HG MET 1 -11.989 3.911 3.265 8 HG3 MET 1 1HG MET 1 -13.116 4.335 1.983 9 HE1 MET 1 2HE MET 1 -13.686 6.920 1.350 10 HE2 MET 1 3HE MET 1 -12.905 8.288 2.143 11 HE3 MET 1 1HE MET 1 -13.996 7.246 3.055 12 H THR 2 HN THR 2 -14.387 1.482 2.497 13 HA THR 2 HA THR 2 -12.715 -0.098 4.290 14 HB THR 2 HB THR 2 -12.854 -1.831 2.500 15 HG1 THR 2 1HG THR 2 -14.736 -0.074 1.272 16 HG21 THR 2 3HG2 THR 2 -14.493 -1.774 4.329 17 HG22 THR 2 1HG2 THR 2 -15.219 -2.351 2.828 18 HG23 THR 2 2HG2 THR 2 -15.517 -0.703 3.375 19 H PHE 3 HN PHE 3 -10.789 -1.234 3.196 20 HA PHE 3 HA PHE 3 -8.916 0.758 2.522 21 HB2 PHE 3 2HB PHE 3 -8.308 -1.378 3.603 22 HB3 PHE 3 1HB PHE 3 -8.699 -2.232 2.115 23 HD1 PHE 3 1HD PHE 3 -6.422 0.288 3.577 24 HD2 PHE 3 2HD PHE 3 -7.121 -2.454 0.400 25 HE1 PHE 3 1HE PHE 3 -4.114 0.610 2.798 26 HE2 PHE 3 2HE PHE 3 -4.810 -2.137 -0.385 27 HZ PHE 3 HZ PHE 3 -3.302 -0.604 0.817 28 H SER 4 HN SER 4 -10.713 -1.546 0.551 29 HA SER 4 HA SER 4 -9.438 -1.049 -1.905 30 HB2 SER 4 2HB SER 4 -12.329 -1.827 -1.450 31 HB3 SER 4 1HB SER 4 -11.399 -2.065 -2.931 32 HG SER 4 HG SER 4 -11.154 -3.363 -0.444 33 H GLU 5 HN GLU 5 -12.290 0.443 -0.422 34 HA GLU 5 HA GLU 5 -12.966 2.147 -2.549 35 HB2 GLU 5 2HB GLU 5 -13.450 2.370 0.425 36 HB3 GLU 5 1HB GLU 5 -14.196 3.418 -0.764 37 HG2 GLU 5 2HG GLU 5 -15.322 1.543 -1.775 38 HG3 GLU 5 1HG GLU 5 -14.498 0.434 -0.682 39 H CYS 6 HN CYS 6 -11.012 2.672 0.348 40 HA CYS 6 HA CYS 6 -10.409 5.388 -0.067 41 HB2 CYS 6 2HB CYS 6 -10.068 4.164 2.050 42 HB3 CYS 6 1HB CYS 6 -8.774 3.259 1.313 43 HG CYS 6 HG CYS 6 -8.084 6.409 0.891 44 H ALA 7 HN ALA 7 -8.575 2.464 -0.838 45 HA ALA 7 HA ALA 7 -6.358 3.631 -2.042 46 HB1 ALA 7 1HB ALA 7 -6.543 1.231 -1.516 47 HB2 ALA 7 2HB ALA 7 -6.007 1.517 -3.173 48 HB3 ALA 7 3HB ALA 7 -7.676 1.043 -2.857 49 H ALA 8 HN ALA 8 -9.444 2.693 -3.529 50 HA ALA 8 HA ALA 8 -8.799 3.410 -6.166 51 HB1 ALA 8 1HB ALA 8 -10.747 2.038 -5.557 52 HB2 ALA 8 2HB ALA 8 -11.186 3.396 -6.593 53 HB3 ALA 8 3HB ALA 8 -11.522 3.463 -4.862 54 H LEU 9 HN LEU 9 -10.110 5.297 -3.481 55 HA LEU 9 HA LEU 9 -10.679 7.641 -4.945 56 HB2 LEU 9 2HB LEU 9 -9.999 7.272 -2.029 57 HB3 LEU 9 1HB LEU 9 -10.559 8.778 -2.720 58 HG LEU 9 HG LEU 9 -12.118 6.200 -2.612 59 HD11 LEU 9 1HD1 LEU 9 -12.474 8.808 -1.148 60 HD12 LEU 9 2HD1 LEU 9 -11.905 7.293 -0.447 61 HD13 LEU 9 3HD1 LEU 9 -13.555 7.416 -1.060 62 HD21 LEU 9 3HD2 LEU 9 -13.971 7.493 -3.511 63 HD22 LEU 9 1HD2 LEU 9 -12.611 7.499 -4.633 64 HD23 LEU 9 2HD2 LEU 9 -12.939 8.916 -3.637 65 H TYR 10 HN TYR 10 -7.804 6.654 -3.098 66 HA TYR 10 HA TYR 10 -6.261 8.944 -3.552 67 HB2 TYR 10 2HB TYR 10 -5.592 7.199 -1.956 68 HB3 TYR 10 1HB TYR 10 -5.331 6.073 -3.280 69 HD1 TYR 10 2HD TYR 10 -4.074 9.168 -1.698 70 HD2 TYR 10 1HD TYR 10 -3.319 6.114 -4.558 71 HE1 TYR 10 2HE TYR 10 -1.758 9.964 -1.930 72 HE2 TYR 10 1HE TYR 10 -1.006 6.906 -4.805 73 HH TYR 10 HH TYR 10 0.384 9.258 -2.680 74 H ILE 11 HN ILE 11 -6.586 5.975 -5.403 75 HA ILE 11 HA ILE 11 -4.775 6.545 -7.457 76 HB ILE 11 HB ILE 11 -7.278 4.858 -7.435 77 HG12 ILE 11 2HG1 ILE 11 -4.352 4.091 -7.386 78 HG13 ILE 11 1HG1 ILE 11 -5.370 4.216 -5.954 79 HG21 ILE 11 1HG2 ILE 11 -6.532 3.838 -9.501 80 HG22 ILE 11 2HG2 ILE 11 -5.146 4.920 -9.565 81 HG23 ILE 11 3HG2 ILE 11 -6.775 5.567 -9.737 82 HD11 ILE 11 3HD1 ILE 11 -6.765 2.415 -6.762 83 HD12 ILE 11 1HD1 ILE 11 -5.078 1.908 -6.711 84 HD13 ILE 11 2HD1 ILE 11 -5.827 2.326 -8.252 85 H LYS 12 HN LYS 12 -8.290 7.140 -7.300 86 HA LYS 12 HA LYS 12 -8.483 8.370 -9.835 87 HB2 LYS 12 2HB LYS 12 -10.221 8.536 -7.375 88 HB3 LYS 12 1HB LYS 12 -10.626 9.343 -8.883 89 HG2 LYS 12 2HG LYS 12 -10.703 7.218 -10.038 90 HG3 LYS 12 1HG LYS 12 -10.212 6.378 -8.567 91 HD2 LYS 12 2HD LYS 12 -12.632 6.216 -8.948 92 HD3 LYS 12 1HD LYS 12 -12.259 7.080 -7.457 93 HE2 LYS 12 2HE LYS 12 -12.655 9.204 -8.556 94 HE3 LYS 12 1HE LYS 12 -12.939 8.386 -10.092 95 HZ1 LYS 12 3HZ LYS 12 -14.581 7.956 -7.653 96 HZ2 LYS 12 1HZ LYS 12 -14.900 7.375 -9.213 97 HZ3 LYS 12 2HZ LYS 12 -14.994 9.036 -8.892 98 H ALA 13 HN ALA 13 -7.743 9.651 -6.646 99 HA ALA 13 HA ALA 13 -7.972 12.385 -7.298 100 HB1 ALA 13 1HB ALA 13 -6.257 11.089 -5.185 101 HB2 ALA 13 2HB ALA 13 -7.944 11.567 -4.997 102 HB3 ALA 13 3HB ALA 13 -6.703 12.793 -5.257 103 H HIS 14 HN HIS 14 -5.609 10.075 -8.186 104 HA HIS 14 HA HIS 14 -3.800 12.249 -9.014 105 HB2 HIS 14 2HB HIS 14 -2.999 9.537 -7.940 106 HB3 HIS 14 1HB HIS 14 -1.887 10.736 -8.589 107 HD1 HIS 14 1HD HIS 14 -4.048 10.010 -5.612 108 HD2 HIS 14 2HD HIS 14 -1.257 12.827 -6.863 109 HE1 HIS 14 1HE HIS 14 -3.523 11.397 -3.577 110 HE2 HIS 14 2HE HIS 14 -1.749 13.020 -4.327 111 H ARG 15 HN ARG 15 -5.945 10.433 -10.301 112 HA ARG 15 HA ARG 15 -4.793 8.680 -12.130 113 HB2 ARG 15 2HB ARG 15 -7.307 10.305 -12.089 114 HB3 ARG 15 1HB ARG 15 -6.875 9.439 -13.551 115 HG2 ARG 15 2HG ARG 15 -6.942 8.027 -10.927 116 HG3 ARG 15 1HG ARG 15 -8.427 8.319 -11.836 117 HD2 ARG 15 2HD ARG 15 -7.504 7.150 -13.758 118 HD3 ARG 15 1HD ARG 15 -5.982 6.915 -12.898 119 HE ARG 15 HE ARG 15 -7.690 5.719 -11.245 120 HH11 ARG 15 1HH1 ARG 15 -7.446 5.534 -14.724 121 HH12 ARG 15 2HH1 ARG 15 -7.948 3.871 -14.812 122 HH21 ARG 15 1HH2 ARG 15 -8.356 3.521 -11.340 123 HH22 ARG 15 2HH2 ARG 15 -8.467 2.720 -12.878 124 H SER 16 HN SER 16 -5.435 12.159 -12.468 125 HA SER 16 HA SER 16 -4.419 12.294 -15.125 126 HB2 SER 16 2HB SER 16 -4.980 14.473 -13.110 127 HB3 SER 16 1HB SER 16 -4.742 14.693 -14.834 128 HG SER 16 HG SER 16 -7.005 14.192 -13.597 129 H SER 17 HN SER 17 -3.016 12.358 -12.012 130 HA SER 17 HA SER 17 -0.747 13.969 -12.648 131 HB2 SER 17 2HB SER 17 -1.102 12.055 -10.333 132 HB3 SER 17 1HB SER 17 0.008 13.417 -10.430 133 HG SER 17 HG SER 17 -1.641 14.301 -9.374 134 H TRP 18 HN TRP 18 -1.425 10.494 -12.463 135 HA TRP 18 HA TRP 18 1.362 9.832 -12.996 136 HB2 TRP 18 2HB TRP 18 -1.002 7.970 -12.793 137 HB3 TRP 18 1HB TRP 18 0.694 7.522 -12.760 138 HD1 TRP 18 1HD TRP 18 1.655 9.643 -10.538 139 HE1 TRP 18 1HE TRP 18 0.960 9.216 -8.077 140 HE3 TRP 18 3HE TRP 18 -2.357 6.612 -11.372 141 HZ2 TRP 18 2HZ TRP 18 -1.041 7.757 -6.702 142 HZ3 TRP 18 3HZ TRP 18 -3.595 5.723 -9.457 143 HH2 TRP 18 2HH TRP 18 -2.961 6.290 -7.163 144 H LYS 19 HN LYS 19 -1.052 10.860 -14.917 145 HA LYS 19 HA LYS 19 -1.682 10.628 -17.082 146 HB2 LYS 19 2HB LYS 19 0.464 8.487 -17.226 147 HB3 LYS 19 1HB LYS 19 -0.489 9.047 -18.595 148 HG2 LYS 19 2HG LYS 19 0.453 11.278 -18.356 149 HG3 LYS 19 1HG LYS 19 1.378 10.748 -16.953 150 HD2 LYS 19 2HD LYS 19 2.562 9.122 -18.382 151 HD3 LYS 19 1HD LYS 19 1.670 9.725 -19.778 152 HE2 LYS 19 2HE LYS 19 3.884 10.723 -19.691 153 HE3 LYS 19 1HE LYS 19 2.646 11.951 -19.426 154 HZ1 LYS 19 3HZ LYS 19 3.068 11.802 -17.044 155 HZ2 LYS 19 1HZ LYS 19 4.481 12.218 -17.886 156 HZ3 LYS 19 2HZ LYS 19 4.268 10.637 -17.312 157 H ASN 20 HN ASN 20 -4.112 8.383 -17.010 158 HA ASN 20 HA ASN 20 -4.271 8.949 -19.158 159 HB2 ASN 20 2HB ASN 20 -1.771 10.570 -18.622 160 HB3 ASN 20 1HB ASN 20 -2.633 10.577 -20.155 161 HD21 ASN 20 1HD2 ASN 20 -4.689 11.491 -20.255 162 HD22 ASN 20 2HD2 ASN 20 -5.266 12.593 -19.049 163 H THR 21 HN THR 21 -2.484 6.873 -17.907 164 HA THR 21 HA THR 21 -1.769 5.561 -20.383 165 HB THR 21 HB THR 21 0.446 4.824 -19.366 166 HG1 THR 21 1HG THR 21 -0.110 7.065 -17.703 167 HG21 THR 21 3HG2 THR 21 1.697 6.789 -20.120 168 HG22 THR 21 1HG2 THR 21 0.210 7.738 -20.126 169 HG23 THR 21 2HG2 THR 21 0.398 6.386 -21.242 170 H LYS 22 HN LYS 22 -0.648 3.289 -19.411 171 HA LYS 22 HA LYS 22 -2.790 2.142 -17.866 172 HB2 LYS 22 2HB LYS 22 -0.223 0.986 -18.946 173 HB3 LYS 22 1HB LYS 22 -1.421 0.049 -18.068 174 HG2 LYS 22 2HG LYS 22 -3.091 0.592 -19.785 175 HG3 LYS 22 1HG LYS 22 -1.861 1.496 -20.672 176 HD2 LYS 22 2HD LYS 22 -2.082 -0.692 -21.650 177 HD3 LYS 22 1HD LYS 22 -0.520 -0.584 -20.835 178 HE2 LYS 22 2HE LYS 22 -1.440 -1.773 -18.911 179 HE3 LYS 22 1HE LYS 22 -3.007 -1.874 -19.711 180 HZ1 LYS 22 3HZ LYS 22 -0.474 -3.119 -20.647 181 HZ2 LYS 22 1HZ LYS 22 -1.954 -3.177 -21.477 182 HZ3 LYS 22 2HZ LYS 22 -1.797 -3.928 -19.965 183 H HIS 23 HN HIS 23 -0.475 4.045 -16.796 184 HA HIS 23 HA HIS 23 0.792 2.636 -14.702 185 HB2 HIS 23 2HB HIS 23 0.062 5.570 -14.917 186 HB3 HIS 23 1HB HIS 23 1.058 4.897 -13.633 187 HD1 HIS 23 1HD HIS 23 2.035 7.080 -15.674 188 HD2 HIS 23 2HD HIS 23 2.770 2.997 -15.973 189 HE1 HIS 23 1HE HIS 23 4.113 6.861 -17.078 190 HE2 HIS 23 2HE HIS 23 4.661 4.401 -17.043 191 H ALA 24 HN ALA 24 -2.254 4.435 -14.839 192 HA ALA 24 HA ALA 24 -2.934 4.225 -12.111 193 HB1 ALA 24 1HB ALA 24 -3.968 5.825 -13.628 194 HB2 ALA 24 2HB ALA 24 -5.185 4.823 -12.836 195 HB3 ALA 24 3HB ALA 24 -4.736 4.507 -14.512 196 H ASP 25 HN ASP 25 -3.582 2.111 -14.885 197 HA ASP 25 HA ASP 25 -5.285 0.283 -13.573 198 HB2 ASP 25 2HB ASP 25 -4.987 0.355 -16.043 199 HB3 ASP 25 1HB ASP 25 -3.357 -0.273 -15.848 200 H GLN 26 HN GLN 26 -1.793 0.317 -14.102 201 HA GLN 26 HA GLN 26 -1.170 -2.069 -12.815 202 HB2 GLN 26 2HB GLN 26 0.372 0.444 -13.373 203 HB3 GLN 26 1HB GLN 26 1.112 -0.929 -12.570 204 HG2 GLN 26 2HG GLN 26 0.718 -2.336 -14.457 205 HG3 GLN 26 1HG GLN 26 -0.249 -1.092 -15.242 206 HE21 GLN 26 1HE2 GLN 26 0.756 0.630 -16.213 207 HE22 GLN 26 2HE2 GLN 26 2.456 0.654 -16.558 208 H TRP 27 HN TRP 27 -1.522 1.207 -11.503 209 HA TRP 27 HA TRP 27 -0.690 0.607 -8.873 210 HB2 TRP 27 2HB TRP 27 -2.249 2.766 -10.174 211 HB3 TRP 27 1HB TRP 27 -2.500 2.562 -8.444 212 HD1 TRP 27 1HD TRP 27 0.397 3.217 -10.934 213 HE1 TRP 27 1HE TRP 27 2.205 4.575 -9.702 214 HE3 TRP 27 3HE TRP 27 -1.656 3.244 -6.253 215 HZ2 TRP 27 2HZ TRP 27 2.694 5.531 -7.091 216 HZ3 TRP 27 3HZ TRP 27 -0.459 4.401 -4.446 217 HH2 TRP 27 2HH TRP 27 1.670 5.521 -4.855 218 H THR 28 HN THR 28 -3.876 0.578 -10.397 219 HA THR 28 HA THR 28 -5.308 -0.080 -8.036 220 HB THR 28 HB THR 28 -6.225 -0.560 -10.876 221 HG1 THR 28 1HG THR 28 -5.553 1.595 -10.734 222 HG21 THR 28 3HG2 THR 28 -7.736 0.054 -8.330 223 HG22 THR 28 1HG2 THR 28 -7.664 -1.508 -9.143 224 HG23 THR 28 2HG2 THR 28 -8.457 -0.142 -9.929 225 H ASN 29 HN ASN 29 -4.186 -1.985 -10.802 226 HA ASN 29 HA ASN 29 -5.591 -4.331 -10.314 227 HB2 ASN 29 2HB ASN 29 -4.245 -3.630 -12.374 228 HB3 ASN 29 1HB ASN 29 -2.830 -4.241 -11.527 229 HD21 ASN 29 1HD2 ASN 29 -4.072 -5.091 -14.009 230 HD22 ASN 29 2HD2 ASN 29 -4.437 -6.774 -13.814 231 H THR 30 HN THR 30 -2.279 -3.494 -9.288 232 HA THR 30 HA THR 30 -1.668 -5.958 -8.107 233 HB THR 30 HB THR 30 -0.603 -3.338 -7.095 234 HG1 THR 30 1HG THR 30 -0.013 -4.711 -9.531 235 HG21 THR 30 3HG2 THR 30 0.651 -6.061 -7.470 236 HG22 THR 30 1HG2 THR 30 0.143 -5.357 -5.937 237 HG23 THR 30 2HG2 THR 30 1.471 -4.630 -6.841 238 H ILE 31 HN ILE 31 -2.981 -2.983 -6.656 239 HA ILE 31 HA ILE 31 -3.017 -4.003 -4.009 240 HB ILE 31 HB ILE 31 -4.589 -1.709 -5.195 241 HG12 ILE 31 2HG1 ILE 31 -1.978 -1.715 -3.656 242 HG13 ILE 31 1HG1 ILE 31 -2.135 -1.472 -5.393 243 HG21 ILE 31 1HG2 ILE 31 -5.610 -2.459 -3.132 244 HG22 ILE 31 2HG2 ILE 31 -4.797 -0.918 -2.867 245 HG23 ILE 31 3HG2 ILE 31 -4.050 -2.415 -2.312 246 HD11 ILE 31 3HD1 ILE 31 -3.409 0.568 -4.992 247 HD12 ILE 31 1HD1 ILE 31 -1.818 0.634 -4.231 248 HD13 ILE 31 2HD1 ILE 31 -3.252 0.324 -3.251 249 H LYS 32 HN LYS 32 -5.453 -3.712 -6.535 250 HA LYS 32 HA LYS 32 -7.681 -4.647 -5.128 251 HB2 LYS 32 2HB LYS 32 -7.768 -3.584 -7.343 252 HB3 LYS 32 1HB LYS 32 -6.959 -4.963 -8.050 253 HG2 LYS 32 2HG LYS 32 -9.554 -5.369 -6.639 254 HG3 LYS 32 1HG LYS 32 -9.544 -4.684 -8.264 255 HD2 LYS 32 2HD LYS 32 -8.108 -6.671 -8.930 256 HD3 LYS 32 1HD LYS 32 -8.518 -7.368 -7.364 257 HE2 LYS 32 2HE LYS 32 -10.901 -7.230 -7.942 258 HE3 LYS 32 1HE LYS 32 -10.471 -6.565 -9.517 259 HZ1 LYS 32 3HZ LYS 32 -10.807 -8.840 -9.882 260 HZ2 LYS 32 1HZ LYS 32 -9.958 -9.292 -8.482 261 HZ3 LYS 32 2HZ LYS 32 -9.121 -8.672 -9.819 262 H THR 33 HN THR 33 -5.077 -6.340 -6.750 263 HA THR 33 HA THR 33 -6.388 -8.901 -6.534 264 HB THR 33 HB THR 33 -3.578 -8.244 -7.435 265 HG1 THR 33 1HG THR 33 -4.841 -7.328 -8.943 266 HG21 THR 33 3HG2 THR 33 -3.687 -10.438 -8.553 267 HG22 THR 33 1HG2 THR 33 -5.257 -10.732 -7.805 268 HG23 THR 33 2HG2 THR 33 -3.815 -10.589 -6.802 269 H TYR 34 HN TYR 34 -3.411 -7.475 -5.128 270 HA TYR 34 HA TYR 34 -2.977 -9.854 -3.560 271 HB2 TYR 34 2HB TYR 34 -1.484 -7.249 -3.780 272 HB3 TYR 34 1HB TYR 34 -1.019 -8.515 -2.646 273 HD1 TYR 34 2HD TYR 34 -1.256 -7.598 -6.199 274 HD2 TYR 34 1HD TYR 34 -0.011 -10.565 -3.413 275 HE1 TYR 34 2HE TYR 34 -0.002 -8.734 -7.983 276 HE2 TYR 34 1HE TYR 34 1.249 -11.709 -5.188 277 HH TYR 34 HH TYR 34 1.164 -11.878 -7.683 278 H CYS 35 HN CYS 35 -3.801 -6.474 -2.805 279 HA CYS 35 HA CYS 35 -3.845 -7.034 0.021 280 HB2 CYS 35 2HB CYS 35 -4.775 -4.556 -1.440 281 HB3 CYS 35 1HB CYS 35 -4.434 -4.689 0.282 282 HG CYS 35 HG CYS 35 -1.656 -5.324 -0.268 283 H GLY 36 HN GLY 36 -6.060 -7.168 -2.553 284 HA2 GLY 36 2HA GLY 36 -8.501 -6.495 -1.470 285 HA3 GLY 36 1HA GLY 36 -8.272 -7.730 -2.691 286 HA PRO 37 HA PRO 37 -9.506 -10.966 -0.062 287 HB2 PRO 37 2HB PRO 37 -7.460 -12.768 0.106 288 HB3 PRO 37 1HB PRO 37 -8.484 -12.575 -1.319 289 HG2 PRO 37 2HG PRO 37 -5.758 -11.458 -0.781 290 HG3 PRO 37 1HG PRO 37 -6.393 -12.190 -2.266 291 HD2 PRO 37 2HD PRO 37 -6.192 -9.530 -1.981 292 HD3 PRO 37 1HD PRO 37 -7.535 -10.273 -2.873 293 H VAL 38 HN VAL 38 -6.686 -9.283 0.952 294 HA VAL 38 HA VAL 38 -6.658 -10.608 3.557 295 HB VAL 38 HB VAL 38 -4.795 -8.439 2.581 296 HG11 VAL 38 1HG1 VAL 38 -4.869 -8.674 4.999 297 HG12 VAL 38 2HG1 VAL 38 -3.328 -9.257 4.368 298 HG13 VAL 38 3HG1 VAL 38 -4.574 -10.405 4.857 299 HG21 VAL 38 3HG2 VAL 38 -4.444 -11.435 2.490 300 HG22 VAL 38 1HG2 VAL 38 -3.190 -10.249 2.133 301 HG23 VAL 38 2HG2 VAL 38 -4.615 -10.359 1.104 302 H ILE 39 HN ILE 39 -6.501 -7.201 2.454 303 HA ILE 39 HA ILE 39 -8.066 -6.482 4.852 304 HB ILE 39 HB ILE 39 -6.774 -4.352 4.930 305 HG12 ILE 39 2HG1 ILE 39 -4.968 -5.758 2.945 306 HG13 ILE 39 1HG1 ILE 39 -5.984 -4.367 2.586 307 HG21 ILE 39 1HG2 ILE 39 -5.201 -6.903 5.251 308 HG22 ILE 39 2HG2 ILE 39 -6.216 -6.122 6.464 309 HG23 ILE 39 3HG2 ILE 39 -4.734 -5.339 5.919 310 HD11 ILE 39 3HD1 ILE 39 -3.693 -4.401 4.538 311 HD12 ILE 39 1HD1 ILE 39 -4.688 -3.005 4.126 312 HD13 ILE 39 2HD1 ILE 39 -3.648 -3.739 2.905 313 H GLY 40 HN GLY 40 -8.335 -6.696 1.680 314 HA2 GLY 40 2HA GLY 40 -8.913 -4.202 0.629 315 HA3 GLY 40 1HA GLY 40 -9.627 -5.703 0.071 316 HA PRO 41 HA PRO 41 -13.510 -4.414 1.700 317 HB2 PRO 41 2HB PRO 41 -14.640 -6.576 2.793 318 HB3 PRO 41 1HB PRO 41 -14.254 -6.514 1.069 319 HG2 PRO 41 2HG PRO 41 -12.751 -7.827 3.301 320 HG3 PRO 41 1HG PRO 41 -13.104 -8.443 1.676 321 HD2 PRO 41 2HD PRO 41 -10.713 -7.302 2.408 322 HD3 PRO 41 1HD PRO 41 -11.333 -7.333 0.746 323 H LEU 42 HN LEU 42 -11.105 -4.902 3.880 324 HA LEU 42 HA LEU 42 -12.713 -4.722 6.287 325 HB2 LEU 42 2HB LEU 42 -9.725 -4.507 5.892 326 HB3 LEU 42 1HB LEU 42 -10.533 -4.533 7.446 327 HG LEU 42 HG LEU 42 -10.434 -6.791 5.442 328 HD11 LEU 42 1HD1 LEU 42 -9.159 -7.935 7.191 329 HD12 LEU 42 2HD1 LEU 42 -9.209 -6.476 8.178 330 HD13 LEU 42 3HD1 LEU 42 -8.346 -6.468 6.641 331 HD21 LEU 42 3HD2 LEU 42 -11.764 -6.672 8.150 332 HD22 LEU 42 1HD2 LEU 42 -11.605 -8.108 7.136 333 HD23 LEU 42 2HD2 LEU 42 -12.588 -6.747 6.591 334 H SER 43 HN SER 43 -12.529 -2.916 7.771 335 HA SER 43 HA SER 43 -12.892 -0.397 6.659 336 HB2 SER 43 2HB SER 43 -13.579 -0.938 8.952 337 HB3 SER 43 1HB SER 43 -11.895 -1.108 9.430 338 HG SER 43 HG SER 43 -12.896 0.962 9.932 339 H VAL 44 HN VAL 44 -11.563 1.218 6.069 340 HA VAL 44 HA VAL 44 -8.773 0.664 5.772 341 HB VAL 44 HB VAL 44 -10.292 2.095 4.243 342 HG11 VAL 44 1HG1 VAL 44 -10.218 4.512 4.694 343 HG12 VAL 44 2HG1 VAL 44 -9.516 4.177 6.278 344 HG13 VAL 44 3HG1 VAL 44 -11.146 3.623 5.901 345 HG21 VAL 44 3HG2 VAL 44 -8.370 3.428 3.500 346 HG22 VAL 44 1HG2 VAL 44 -7.934 1.755 3.851 347 HG23 VAL 44 2HG2 VAL 44 -7.532 3.029 5.000 348 H GLN 45 HN GLN 45 -10.620 1.715 8.336 349 HA GLN 45 HA GLN 45 -8.476 3.253 9.581 350 HB2 GLN 45 2HB GLN 45 -10.815 4.007 9.840 351 HB3 GLN 45 1HB GLN 45 -11.203 2.489 10.639 352 HG2 GLN 45 2HG GLN 45 -9.674 3.027 12.448 353 HG3 GLN 45 1HG GLN 45 -9.223 4.526 11.639 354 HE21 GLN 45 1HE2 GLN 45 -12.482 3.246 11.760 355 HE22 GLN 45 2HE2 GLN 45 -13.129 4.501 12.760 356 H ASP 46 HN ASP 46 -9.856 0.072 9.539 357 HA ASP 46 HA ASP 46 -8.467 -0.660 11.997 358 HB2 ASP 46 2HB ASP 46 -10.533 -2.044 10.306 359 HB3 ASP 46 1HB ASP 46 -9.653 -2.887 11.574 360 H VAL 47 HN VAL 47 -7.137 -0.096 9.364 361 HA VAL 47 HA VAL 47 -5.890 -2.654 8.755 362 HB VAL 47 HB VAL 47 -5.236 0.107 7.692 363 HG11 VAL 47 1HG1 VAL 47 -3.342 -1.415 7.547 364 HG12 VAL 47 2HG1 VAL 47 -3.994 -1.061 5.948 365 HG13 VAL 47 3HG1 VAL 47 -4.347 -2.606 6.723 366 HG21 VAL 47 3HG2 VAL 47 -6.874 -2.111 6.474 367 HG22 VAL 47 1HG2 VAL 47 -6.412 -0.614 5.662 368 HG23 VAL 47 2HG2 VAL 47 -7.476 -0.563 7.066 369 H ASP 48 HN ASP 48 -4.497 -3.361 10.259 370 HA ASP 48 HA ASP 48 -2.917 -1.451 11.805 371 HB2 ASP 48 2HB ASP 48 -3.253 -4.441 12.109 372 HB3 ASP 48 1HB ASP 48 -2.263 -3.438 13.158 373 H THR 49 HN THR 49 -0.638 -2.076 12.308 374 HA THR 49 HA THR 49 0.999 -2.320 10.061 375 HB THR 49 HB THR 49 2.710 -2.961 11.909 376 HG1 THR 49 1HG THR 49 1.887 -3.297 13.819 377 HG21 THR 49 3HG2 THR 49 2.520 -0.701 10.980 378 HG22 THR 49 1HG2 THR 49 2.838 -0.659 12.713 379 HG23 THR 49 2HG2 THR 49 1.210 -0.354 12.108 380 H LYS 50 HN LYS 50 -0.040 -4.615 12.506 381 HA LYS 50 HA LYS 50 1.405 -6.868 11.788 382 HB2 LYS 50 2HB LYS 50 0.008 -6.481 13.845 383 HB3 LYS 50 1HB LYS 50 -1.414 -6.797 12.873 384 HG2 LYS 50 2HG LYS 50 0.723 -8.856 12.931 385 HG3 LYS 50 1HG LYS 50 -0.296 -8.660 14.356 386 HD2 LYS 50 2HD LYS 50 -2.274 -8.812 12.746 387 HD3 LYS 50 1HD LYS 50 -1.104 -9.407 11.563 388 HE2 LYS 50 2HE LYS 50 -2.211 -11.255 12.714 389 HE3 LYS 50 1HE LYS 50 -0.486 -11.217 13.077 390 HZ1 LYS 50 3HZ LYS 50 -2.609 -10.113 14.844 391 HZ2 LYS 50 1HZ LYS 50 -0.951 -10.207 15.196 392 HZ3 LYS 50 2HZ LYS 50 -1.870 -11.625 15.046 393 H LEU 51 HN LEU 51 -1.743 -5.742 10.635 394 HA LEU 51 HA LEU 51 -2.332 -7.964 9.017 395 HB2 LEU 51 2HB LEU 51 -3.249 -5.101 8.814 396 HB3 LEU 51 1HB LEU 51 -3.934 -6.425 7.903 397 HG LEU 51 HG LEU 51 -4.026 -6.059 10.887 398 HD11 LEU 51 1HD1 LEU 51 -6.439 -5.916 10.526 399 HD12 LEU 51 2HD1 LEU 51 -6.187 -6.064 8.788 400 HD13 LEU 51 3HD1 LEU 51 -5.582 -4.651 9.648 401 HD21 LEU 51 3HD2 LEU 51 -5.399 -8.101 10.912 402 HD22 LEU 51 1HD2 LEU 51 -3.746 -8.416 10.379 403 HD23 LEU 51 2HD2 LEU 51 -5.054 -8.335 9.198 404 H ILE 52 HN ILE 52 -0.723 -4.886 8.312 405 HA ILE 52 HA ILE 52 -0.444 -5.295 5.530 406 HB ILE 52 HB ILE 52 1.318 -3.632 7.341 407 HG12 ILE 52 2HG1 ILE 52 -1.139 -2.837 5.757 408 HG13 ILE 52 1HG1 ILE 52 -1.094 -3.060 7.504 409 HG21 ILE 52 1HG2 ILE 52 0.844 -3.485 4.363 410 HG22 ILE 52 2HG2 ILE 52 2.317 -4.049 5.151 411 HG23 ILE 52 3HG2 ILE 52 1.824 -2.363 5.305 412 HD11 ILE 52 3HD1 ILE 52 0.477 -1.013 5.954 413 HD12 ILE 52 1HD1 ILE 52 0.474 -1.215 7.706 414 HD13 ILE 52 2HD1 ILE 52 -0.996 -0.709 6.874 415 H MET 53 HN MET 53 1.584 -6.145 8.290 416 HA MET 53 HA MET 53 3.849 -7.042 6.901 417 HB2 MET 53 2HB MET 53 2.670 -8.030 9.506 418 HB3 MET 53 1HB MET 53 4.265 -8.470 8.912 419 HG2 MET 53 2HG MET 53 4.952 -6.129 9.013 420 HG3 MET 53 1HG MET 53 3.349 -5.684 9.597 421 HE1 MET 53 3HE MET 53 5.602 -5.206 12.768 422 HE2 MET 53 1HE MET 53 4.451 -4.443 11.672 423 HE3 MET 53 2HE MET 53 6.056 -4.889 11.094 424 H LYS 54 HN LYS 54 0.798 -8.621 7.638 425 HA LYS 54 HA LYS 54 1.553 -11.187 6.701 426 HB2 LYS 54 2HB LYS 54 -1.079 -9.872 7.271 427 HB3 LYS 54 1HB LYS 54 -1.022 -11.448 6.492 428 HG2 LYS 54 2HG LYS 54 0.491 -10.998 9.027 429 HG3 LYS 54 1HG LYS 54 -1.250 -11.274 9.077 430 HD2 LYS 54 2HD LYS 54 -0.115 -13.381 9.375 431 HD3 LYS 54 1HD LYS 54 -0.913 -13.377 7.804 432 HE2 LYS 54 2HE LYS 54 1.236 -14.344 7.499 433 HE3 LYS 54 1HE LYS 54 1.290 -12.730 6.797 434 HZ1 LYS 54 3HZ LYS 54 2.393 -13.562 9.428 435 HZ2 LYS 54 1HZ LYS 54 2.353 -11.960 8.875 436 HZ3 LYS 54 2HZ LYS 54 3.281 -13.113 8.049 437 H VAL 55 HN VAL 55 0.083 -8.382 5.146 438 HA VAL 55 HA VAL 55 -0.476 -9.586 2.662 439 HB VAL 55 HB VAL 55 0.323 -6.713 3.170 440 HG11 VAL 55 1HG1 VAL 55 0.419 -7.308 0.812 441 HG12 VAL 55 2HG1 VAL 55 -0.944 -6.232 1.123 442 HG13 VAL 55 3HG1 VAL 55 -1.218 -7.959 0.894 443 HG21 VAL 55 3HG2 VAL 55 -1.564 -7.369 4.570 444 HG22 VAL 55 1HG2 VAL 55 -2.420 -7.962 3.147 445 HG23 VAL 55 2HG2 VAL 55 -2.067 -6.242 3.311 446 H LEU 56 HN LEU 56 2.403 -7.961 3.910 447 HA LEU 56 HA LEU 56 3.859 -8.154 1.447 448 HB2 LEU 56 2HB LEU 56 4.799 -7.523 4.245 449 HB3 LEU 56 1HB LEU 56 5.761 -7.336 2.793 450 HG LEU 56 HG LEU 56 3.233 -5.812 3.431 451 HD11 LEU 56 1HD1 LEU 56 4.740 -3.883 3.632 452 HD12 LEU 56 2HD1 LEU 56 6.124 -4.955 3.423 453 HD13 LEU 56 3HD1 LEU 56 5.086 -5.124 4.837 454 HD21 LEU 56 3HD2 LEU 56 5.154 -5.519 1.122 455 HD22 LEU 56 1HD2 LEU 56 3.765 -4.488 1.456 456 HD23 LEU 56 2HD2 LEU 56 3.522 -6.181 1.026 457 H ASP 57 HN ASP 57 3.377 -10.203 4.151 458 HA ASP 57 HA ASP 57 5.718 -11.547 4.529 459 HB2 ASP 57 2HB ASP 57 3.432 -11.836 5.686 460 HB3 ASP 57 1HB ASP 57 3.114 -13.042 4.462 461 HA PRO 58 HA PRO 58 4.871 -14.853 1.183 462 HB2 PRO 58 2HB PRO 58 2.838 -14.615 -0.560 463 HB3 PRO 58 1HB PRO 58 2.599 -15.279 1.062 464 HG2 PRO 58 2HG PRO 58 2.066 -12.505 0.058 465 HG3 PRO 58 1HG PRO 58 1.034 -13.547 1.058 466 HD2 PRO 58 2HD PRO 58 2.578 -11.581 2.114 467 HD3 PRO 58 1HD PRO 58 2.207 -13.082 2.978 468 H ILE 59 HN ILE 59 4.800 -11.504 0.513 469 HA ILE 59 HA ILE 59 5.298 -11.711 -2.311 470 HB ILE 59 HB ILE 59 5.785 -9.292 -0.567 471 HG12 ILE 59 2HG1 ILE 59 3.271 -10.115 -2.044 472 HG13 ILE 59 1HG1 ILE 59 3.474 -10.114 -0.294 473 HG21 ILE 59 1HG2 ILE 59 6.799 -9.161 -2.773 474 HG22 ILE 59 2HG2 ILE 59 5.417 -8.070 -2.678 475 HG23 ILE 59 3HG2 ILE 59 5.269 -9.609 -3.526 476 HD11 ILE 59 3HD1 ILE 59 2.225 -8.177 -1.038 477 HD12 ILE 59 1HD1 ILE 59 3.559 -7.699 -2.085 478 HD13 ILE 59 2HD1 ILE 59 3.766 -7.693 -0.333 479 H TRP 60 HN TRP 60 7.243 -11.544 0.590 480 HA TRP 60 HA TRP 60 9.719 -10.923 -0.665 481 HB2 TRP 60 2HB TRP 60 9.157 -12.370 1.932 482 HB3 TRP 60 1HB TRP 60 10.749 -11.818 1.419 483 HD1 TRP 60 1HD TRP 60 7.676 -10.677 3.205 484 HE1 TRP 60 1HE TRP 60 7.887 -8.192 3.833 485 HE3 TRP 60 3HE TRP 60 11.793 -9.484 0.419 486 HZ2 TRP 60 2HZ TRP 60 9.585 -6.009 3.230 487 HZ3 TRP 60 3HZ TRP 60 12.649 -7.181 0.500 488 HH2 TRP 60 2HH TRP 60 11.568 -5.480 1.876 489 H GLU 61 HN GLU 61 7.800 -13.722 -0.622 490 HA GLU 61 HA GLU 61 9.888 -15.618 -1.131 491 HB2 GLU 61 2HB GLU 61 6.881 -15.668 -1.298 492 HB3 GLU 61 1HB GLU 61 7.870 -17.033 -1.755 493 HG2 GLU 61 2HG GLU 61 7.983 -15.769 0.960 494 HG3 GLU 61 1HG GLU 61 6.901 -17.099 0.555 495 H GLN 62 HN GLN 62 7.915 -13.438 -2.953 496 HA GLN 62 HA GLN 62 8.460 -14.862 -5.451 497 HB2 GLN 62 2HB GLN 62 6.489 -12.636 -4.949 498 HB3 GLN 62 1HB GLN 62 6.606 -13.637 -6.380 499 HG2 GLN 62 2HG GLN 62 5.858 -14.616 -3.639 500 HG3 GLN 62 1HG GLN 62 4.726 -14.259 -4.941 501 HE21 GLN 62 1HE2 GLN 62 3.929 -16.344 -4.969 502 HE22 GLN 62 2HE2 GLN 62 4.844 -17.690 -5.573 503 H LYS 63 HN LYS 63 8.184 -11.479 -4.329 504 HA LYS 63 HA LYS 63 10.426 -10.755 -6.062 505 HB2 LYS 63 2HB LYS 63 7.702 -9.455 -6.193 506 HB3 LYS 63 1HB LYS 63 9.149 -8.794 -6.935 507 HG2 LYS 63 2HG LYS 63 9.315 -10.909 -8.275 508 HG3 LYS 63 1HG LYS 63 7.730 -11.351 -7.638 509 HD2 LYS 63 2HD LYS 63 7.462 -10.320 -9.808 510 HD3 LYS 63 1HD LYS 63 6.814 -9.245 -8.565 511 HE2 LYS 63 2HE LYS 63 9.038 -8.064 -8.589 512 HE3 LYS 63 1HE LYS 63 9.447 -9.022 -10.010 513 HZ1 LYS 63 3HZ LYS 63 7.624 -8.040 -11.202 514 HZ2 LYS 63 1HZ LYS 63 8.577 -6.805 -10.543 515 HZ3 LYS 63 2HZ LYS 63 7.099 -7.210 -9.821 516 HA PRO 64 HA PRO 64 10.936 -9.088 -1.816 517 HB2 PRO 64 2HB PRO 64 13.599 -8.616 -3.067 518 HB3 PRO 64 1HB PRO 64 13.206 -9.276 -1.477 519 HG2 PRO 64 2HG PRO 64 13.999 -10.873 -3.446 520 HG3 PRO 64 1HG PRO 64 12.721 -11.383 -2.327 521 HD2 PRO 64 2HD PRO 64 12.508 -10.435 -5.147 522 HD3 PRO 64 1HD PRO 64 11.545 -11.656 -4.292 523 H GLU 65 HN GLU 65 12.224 -7.509 -4.769 524 HA GLU 65 HA GLU 65 12.422 -4.966 -3.594 525 HB2 GLU 65 2HB GLU 65 12.162 -5.784 -6.477 526 HB3 GLU 65 1HB GLU 65 12.616 -4.191 -5.923 527 HG2 GLU 65 2HG GLU 65 14.578 -5.212 -4.788 528 HG3 GLU 65 1HG GLU 65 14.147 -6.738 -5.557 529 H THR 66 HN THR 66 9.880 -6.598 -5.394 530 HA THR 66 HA THR 66 8.237 -4.307 -5.741 531 HB THR 66 HB THR 66 7.444 -7.231 -5.774 532 HG1 THR 66 1HG THR 66 8.783 -5.575 -7.552 533 HG21 THR 66 3HG2 THR 66 6.082 -4.804 -6.951 534 HG22 THR 66 1HG2 THR 66 5.524 -5.717 -5.551 535 HG23 THR 66 2HG2 THR 66 5.558 -6.479 -7.142 536 H ALA 67 HN ALA 67 8.562 -6.726 -3.228 537 HA ALA 67 HA ALA 67 6.245 -6.248 -1.760 538 HB1 ALA 67 1HB ALA 67 7.815 -8.077 -1.277 539 HB2 ALA 67 2HB ALA 67 7.450 -7.128 0.163 540 HB3 ALA 67 3HB ALA 67 8.985 -6.905 -0.674 541 H SER 68 HN SER 68 9.435 -4.698 -1.419 542 HA SER 68 HA SER 68 8.612 -2.896 0.582 543 HB2 SER 68 2HB SER 68 10.724 -1.650 -0.050 544 HB3 SER 68 1HB SER 68 10.944 -3.346 0.373 545 HG SER 68 HG SER 68 10.494 -3.203 -2.249 546 H ARG 69 HN ARG 69 8.573 -2.704 -2.929 547 HA ARG 69 HA ARG 69 8.022 0.084 -3.031 548 HB2 ARG 69 2HB ARG 69 7.695 -2.092 -5.095 549 HB3 ARG 69 1HB ARG 69 7.516 -0.380 -5.415 550 HG2 ARG 69 2HG ARG 69 9.886 -0.110 -4.569 551 HG3 ARG 69 1HG ARG 69 9.992 -1.867 -4.650 552 HD2 ARG 69 2HD ARG 69 10.895 -1.000 -6.679 553 HD3 ARG 69 1HD ARG 69 9.329 -1.719 -7.058 554 HE ARG 69 HE ARG 69 8.936 0.996 -6.514 555 HH11 ARG 69 1HH1 ARG 69 10.505 -1.008 -8.919 556 HH12 ARG 69 2HH1 ARG 69 10.312 0.157 -10.199 557 HH21 ARG 69 1HH2 ARG 69 8.684 2.528 -8.165 558 HH22 ARG 69 2HH2 ARG 69 9.251 2.170 -9.775 559 H LEU 70 HN LEU 70 6.057 -2.838 -2.979 560 HA LEU 70 HA LEU 70 3.585 -1.589 -3.563 561 HB2 LEU 70 2HB LEU 70 3.956 -4.032 -3.661 562 HB3 LEU 70 1HB LEU 70 4.104 -4.066 -1.914 563 HG LEU 70 HG LEU 70 1.769 -3.303 -1.705 564 HD11 LEU 70 1HD1 LEU 70 0.316 -3.288 -3.676 565 HD12 LEU 70 2HD1 LEU 70 1.720 -3.561 -4.709 566 HD13 LEU 70 3HD1 LEU 70 1.581 -2.064 -3.787 567 HD21 LEU 70 3HD2 LEU 70 2.082 -5.745 -3.449 568 HD22 LEU 70 1HD2 LEU 70 0.714 -5.377 -2.396 569 HD23 LEU 70 2HD2 LEU 70 2.304 -5.698 -1.700 570 H ARG 71 HN ARG 71 5.324 -2.207 -0.547 571 HA ARG 71 HA ARG 71 3.415 -1.205 1.239 572 HB2 ARG 71 2HB ARG 71 5.516 -2.387 1.904 573 HB3 ARG 71 1HB ARG 71 6.419 -0.940 1.480 574 HG2 ARG 71 2HG ARG 71 4.533 0.068 3.164 575 HG3 ARG 71 1HG ARG 71 4.818 -1.528 3.855 576 HD2 ARG 71 2HD ARG 71 6.303 0.115 4.856 577 HD3 ARG 71 1HD ARG 71 7.221 -1.067 3.919 578 HE ARG 71 HE ARG 71 7.645 0.585 2.286 579 HH11 ARG 71 1HH1 ARG 71 5.790 1.838 4.989 580 HH12 ARG 71 2HH1 ARG 71 6.195 3.503 4.650 581 HH21 ARG 71 1HH2 ARG 71 8.170 2.794 1.863 582 HH22 ARG 71 2HH2 ARG 71 7.543 4.032 2.906 583 H GLY 72 HN GLY 72 5.815 0.387 -0.772 584 HA2 GLY 72 2HA GLY 72 5.581 2.993 0.240 585 HA3 GLY 72 1HA GLY 72 6.065 2.578 -1.398 586 H ARG 73 HN ARG 73 3.676 1.266 -2.180 587 HA ARG 73 HA ARG 73 2.000 3.421 -2.902 588 HB2 ARG 73 2HB ARG 73 1.469 0.443 -2.894 589 HB3 ARG 73 1HB ARG 73 0.371 1.627 -3.581 590 HG2 ARG 73 2HG ARG 73 2.168 2.308 -5.153 591 HG3 ARG 73 1HG ARG 73 3.168 1.005 -4.508 592 HD2 ARG 73 2HD ARG 73 1.482 -0.631 -5.185 593 HD3 ARG 73 1HD ARG 73 0.468 0.666 -5.809 594 HE ARG 73 HE ARG 73 2.997 0.763 -7.054 595 HH11 ARG 73 1HH1 ARG 73 0.046 -1.122 -7.016 596 HH12 ARG 73 2HH1 ARG 73 0.253 -1.728 -8.631 597 HH21 ARG 73 1HH2 ARG 73 3.268 -0.025 -9.197 598 HH22 ARG 73 2HH2 ARG 73 2.081 -1.111 -9.855 599 H ILE 74 HN ILE 74 1.649 0.850 -0.483 600 HA ILE 74 HA ILE 74 -0.871 1.573 0.495 601 HB ILE 74 HB ILE 74 1.378 0.229 2.014 602 HG12 ILE 74 2HG1 ILE 74 -0.884 -0.988 0.411 603 HG13 ILE 74 1HG1 ILE 74 0.789 -0.888 -0.128 604 HG21 ILE 74 1HG2 ILE 74 -1.607 0.176 2.482 605 HG22 ILE 74 2HG2 ILE 74 -0.431 1.056 3.456 606 HG23 ILE 74 3HG2 ILE 74 -0.393 -0.707 3.411 607 HD11 ILE 74 3HD1 ILE 74 1.468 -2.315 1.738 608 HD12 ILE 74 1HD1 ILE 74 0.274 -3.101 0.705 609 HD13 ILE 74 2HD1 ILE 74 -0.214 -2.423 2.259 610 H GLU 75 HN GLU 75 2.384 2.513 1.612 611 HA GLU 75 HA GLU 75 1.642 4.082 3.804 612 HB2 GLU 75 2HB GLU 75 3.983 3.475 3.241 613 HB3 GLU 75 1HB GLU 75 3.926 4.590 1.883 614 HG2 GLU 75 2HG GLU 75 3.482 6.432 3.486 615 HG3 GLU 75 1HG GLU 75 3.718 5.285 4.802 616 H SER 76 HN SER 76 2.052 4.993 0.410 617 HA SER 76 HA SER 76 1.501 7.729 0.733 618 HB2 SER 76 2HB SER 76 1.121 6.021 -1.719 619 HB3 SER 76 1HB SER 76 1.281 7.776 -1.691 620 HG SER 76 HG SER 76 3.221 5.792 -1.334 621 H VAL 77 HN VAL 77 -0.597 4.987 -0.087 622 HA VAL 77 HA VAL 77 -2.934 6.519 -0.540 623 HB VAL 77 HB VAL 77 -2.674 3.623 0.288 624 HG11 VAL 77 1HG1 VAL 77 -5.068 5.087 -0.820 625 HG12 VAL 77 2HG1 VAL 77 -4.888 4.490 0.830 626 HG13 VAL 77 3HG1 VAL 77 -4.964 3.353 -0.514 627 HG21 VAL 77 3HG2 VAL 77 -3.099 4.874 -2.425 628 HG22 VAL 77 1HG2 VAL 77 -3.064 3.144 -2.079 629 HG23 VAL 77 2HG2 VAL 77 -1.611 4.119 -1.850 630 H LEU 78 HN LEU 78 -1.781 4.760 2.344 631 HA LEU 78 HA LEU 78 -4.072 5.408 3.886 632 HB2 LEU 78 2HB LEU 78 -1.330 4.500 4.726 633 HB3 LEU 78 1HB LEU 78 -2.668 4.706 5.836 634 HG LEU 78 HG LEU 78 -2.366 2.665 3.646 635 HD11 LEU 78 1HD1 LEU 78 -2.661 1.084 5.437 636 HD12 LEU 78 2HD1 LEU 78 -2.986 2.385 6.582 637 HD13 LEU 78 3HD1 LEU 78 -1.384 2.219 5.873 638 HD21 LEU 78 3HD2 LEU 78 -4.864 3.318 5.205 639 HD22 LEU 78 1HD2 LEU 78 -4.645 1.924 4.146 640 HD23 LEU 78 2HD2 LEU 78 -4.625 3.554 3.474 641 H ASP 79 HN ASP 79 -0.881 6.912 3.561 642 HA ASP 79 HA ASP 79 -1.098 8.748 5.672 643 HB2 ASP 79 2HB ASP 79 1.017 8.386 4.536 644 HB3 ASP 79 1HB ASP 79 0.350 8.990 3.024 645 H TRP 80 HN TRP 80 -2.164 8.887 2.335 646 HA TRP 80 HA TRP 80 -3.124 11.498 2.234 647 HB2 TRP 80 2HB TRP 80 -2.912 10.111 0.260 648 HB3 TRP 80 1HB TRP 80 -4.090 8.967 0.887 649 HD1 TRP 80 1HD TRP 80 -3.923 12.584 -0.468 650 HE1 TRP 80 1HE TRP 80 -6.210 13.149 -1.515 651 HE3 TRP 80 3HE TRP 80 -6.457 8.344 0.833 652 HZ2 TRP 80 2HZ TRP 80 -8.764 11.923 -1.753 653 HZ3 TRP 80 3HZ TRP 80 -8.808 8.112 0.157 654 HH2 TRP 80 2HH TRP 80 -9.938 9.867 -1.107 655 H ALA 81 HN ALA 81 -4.810 8.503 3.159 656 HA ALA 81 HA ALA 81 -7.299 9.763 3.630 657 HB1 ALA 81 1HB ALA 81 -6.319 7.122 4.697 658 HB2 ALA 81 2HB ALA 81 -7.056 7.378 3.115 659 HB3 ALA 81 3HB ALA 81 -7.997 7.653 4.581 660 H THR 82 HN THR 82 -4.543 9.091 5.732 661 HA THR 82 HA THR 82 -5.867 9.597 8.183 662 HB THR 82 HB THR 82 -2.942 9.830 7.456 663 HG1 THR 82 1HG THR 82 -3.171 7.849 9.020 664 HG21 THR 82 3HG2 THR 82 -3.434 11.232 9.407 665 HG22 THR 82 1HG2 THR 82 -2.491 9.813 9.866 666 HG23 THR 82 2HG2 THR 82 -4.224 9.866 10.195 667 H VAL 83 HN VAL 83 -4.054 11.688 5.965 668 HA VAL 83 HA VAL 83 -4.339 14.037 7.543 669 HB VAL 83 HB VAL 83 -3.786 13.786 4.578 670 HG11 VAL 83 1HG1 VAL 83 -2.882 16.047 4.747 671 HG12 VAL 83 2HG1 VAL 83 -3.370 16.120 6.440 672 HG13 VAL 83 3HG1 VAL 83 -4.594 16.013 5.174 673 HG21 VAL 83 3HG2 VAL 83 -1.435 14.150 5.253 674 HG22 VAL 83 1HG2 VAL 83 -2.104 12.646 5.888 675 HG23 VAL 83 2HG2 VAL 83 -1.931 14.050 6.942 676 H ARG 84 HN ARG 84 -6.230 12.580 4.952 677 HA ARG 84 HA ARG 84 -8.065 14.712 4.619 678 HB2 ARG 84 2HB ARG 84 -8.380 11.749 4.110 679 HB3 ARG 84 1HB ARG 84 -9.538 12.970 3.604 680 HG2 ARG 84 2HG ARG 84 -6.661 12.914 2.727 681 HG3 ARG 84 1HG ARG 84 -7.992 12.199 1.817 682 HD2 ARG 84 2HD ARG 84 -7.808 15.103 2.603 683 HD3 ARG 84 1HD ARG 84 -7.355 14.458 1.026 684 HE ARG 84 HE ARG 84 -10.094 14.455 2.139 685 HH11 ARG 84 1HH1 ARG 84 -7.874 14.411 -0.574 686 HH12 ARG 84 2HH1 ARG 84 -9.121 14.546 -1.772 687 HH21 ARG 84 1HH2 ARG 84 -11.748 14.655 0.557 688 HH22 ARG 84 2HH2 ARG 84 -11.319 14.679 -1.123 689 H GLY 85 HN GLY 85 -7.744 12.215 6.990 690 HA2 GLY 85 2HA GLY 85 -8.773 12.195 9.087 691 HA3 GLY 85 1HA GLY 85 -9.930 13.384 8.506 692 H TYR 86 HN TYR 86 -9.119 10.290 6.999 693 HA TYR 86 HA TYR 86 -11.934 9.517 7.225 694 HB2 TYR 86 2HB TYR 86 -9.663 8.357 5.605 695 HB3 TYR 86 1HB TYR 86 -11.284 7.676 5.645 696 HD1 TYR 86 2HD TYR 86 -12.968 10.078 5.539 697 HD2 TYR 86 1HD TYR 86 -9.372 9.172 3.447 698 HE1 TYR 86 2HE TYR 86 -13.648 11.593 3.727 699 HE2 TYR 86 1HE TYR 86 -10.044 10.687 1.630 700 HH TYR 86 HH TYR 86 -12.604 12.896 1.934 701 H ARG 87 HN ARG 87 -9.350 9.255 9.109 702 HA ARG 87 HA ARG 87 -10.434 7.070 10.600 703 HB2 ARG 87 2HB ARG 87 -8.586 5.559 10.519 704 HB3 ARG 87 1HB ARG 87 -9.005 5.920 8.849 705 HG2 ARG 87 2HG ARG 87 -7.154 7.436 8.652 706 HG3 ARG 87 1HG ARG 87 -6.778 7.264 10.367 707 HD2 ARG 87 2HD ARG 87 -5.238 5.908 9.162 708 HD3 ARG 87 1HD ARG 87 -6.389 4.823 9.941 709 HE ARG 87 HE ARG 87 -7.232 4.239 7.871 710 HH11 ARG 87 1HH1 ARG 87 -4.862 6.793 7.610 711 HH12 ARG 87 2HH1 ARG 87 -4.779 6.714 5.877 712 HH21 ARG 87 1HH2 ARG 87 -7.145 4.137 5.597 713 HH22 ARG 87 2HH2 ARG 87 -6.086 5.196 4.725 714 H GLU 88 HN GLU 88 -8.621 6.574 12.431 715 HA GLU 88 HA GLU 88 -8.058 9.022 13.756 716 HB2 GLU 88 2HB GLU 88 -8.471 6.877 14.922 717 HB3 GLU 88 1HB GLU 88 -6.951 6.254 14.305 718 HG2 GLU 88 2HG GLU 88 -6.818 6.995 16.646 719 HG3 GLU 88 1HG GLU 88 -5.725 7.884 15.583 720 H GLY 89 HN GLY 89 -5.795 9.558 14.518 721 HA2 GLY 89 2HA GLY 89 -4.288 10.259 12.234 722 HA3 GLY 89 1HA GLY 89 -3.790 10.491 13.899 723 H ASP 90 HN ASP 90 -1.769 10.070 12.530 724 HA ASP 90 HA ASP 90 0.087 8.858 12.150 725 HB2 ASP 90 2HB ASP 90 -0.280 8.029 14.442 726 HB3 ASP 90 1HB ASP 90 -1.257 6.717 13.800 727 H ASN 91 HN ASN 91 0.944 6.878 11.071 728 HA ASN 91 HA ASN 91 -1.015 5.630 9.293 729 HB2 ASN 91 2HB ASN 91 -0.095 7.516 8.021 730 HB3 ASN 91 1HB ASN 91 1.541 6.925 8.315 731 HD21 ASN 91 1HD2 ASN 91 1.820 6.784 6.010 732 HD22 ASN 91 2HD2 ASN 91 1.148 5.473 5.126 733 HA PRO 92 HA PRO 92 1.499 2.368 11.265 734 HB2 PRO 92 2HB PRO 92 -0.249 0.415 10.329 735 HB3 PRO 92 1HB PRO 92 -0.343 1.213 11.901 736 HG2 PRO 92 2HG PRO 92 -1.836 1.792 9.380 737 HG3 PRO 92 1HG PRO 92 -2.404 1.839 11.060 738 HD2 PRO 92 2HD PRO 92 -1.841 4.084 9.727 739 HD3 PRO 92 1HD PRO 92 -1.454 3.919 11.453 740 H ALA 93 HN ALA 93 0.537 2.827 7.945 741 HA ALA 93 HA ALA 93 1.956 0.605 6.849 742 HB1 ALA 93 1HB ALA 93 0.987 3.172 5.608 743 HB2 ALA 93 2HB ALA 93 0.237 1.578 5.525 744 HB3 ALA 93 3HB ALA 93 1.763 1.877 4.700 745 H ARG 94 HN ARG 94 2.895 3.651 8.082 746 HA ARG 94 HA ARG 94 5.465 3.591 6.707 747 HB2 ARG 94 2HB ARG 94 4.442 5.779 6.940 748 HB3 ARG 94 1HB ARG 94 4.317 5.568 8.680 749 HG2 ARG 94 2HG ARG 94 6.607 5.810 9.001 750 HG3 ARG 94 1HG ARG 94 6.973 5.482 7.307 751 HD2 ARG 94 2HD ARG 94 5.493 7.911 8.298 752 HD3 ARG 94 1HD ARG 94 7.220 7.869 7.938 753 HE ARG 94 HE ARG 94 6.203 7.004 5.636 754 HH11 ARG 94 1HH1 ARG 94 5.286 9.718 7.657 755 HH12 ARG 94 2HH1 ARG 94 4.691 10.672 6.327 756 HH21 ARG 94 1HH2 ARG 94 5.443 8.247 3.891 757 HH22 ARG 94 2HH2 ARG 94 4.765 9.827 4.185 758 H TRP 95 HN TRP 95 7.261 2.916 7.582 759 HA TRP 95 HA TRP 95 7.198 1.985 10.375 760 HB2 TRP 95 2HB TRP 95 7.853 0.556 7.870 761 HB3 TRP 95 1HB TRP 95 8.893 0.234 9.255 762 HD1 TRP 95 1HD TRP 95 7.472 -0.454 11.562 763 HE1 TRP 95 1HE TRP 95 5.525 -2.113 11.741 764 HE3 TRP 95 3HE TRP 95 5.940 -0.411 6.695 765 HZ2 TRP 95 2HZ TRP 95 3.571 -3.250 10.038 766 HZ3 TRP 95 3HZ TRP 95 4.023 -1.813 6.049 767 HH2 TRP 95 2HH TRP 95 2.864 -3.202 7.687 768 H ARG 96 HN ARG 96 9.141 3.170 7.702 769 HA ARG 96 HA ARG 96 11.282 3.681 7.403 770 HB2 ARG 96 2HB ARG 96 10.703 5.470 8.977 771 HB3 ARG 96 1HB ARG 96 11.173 4.428 10.316 772 HG2 ARG 96 2HG ARG 96 13.428 4.321 9.395 773 HG3 ARG 96 1HG ARG 96 12.956 5.444 8.126 774 HD2 ARG 96 2HD ARG 96 12.869 6.014 11.088 775 HD3 ARG 96 1HD ARG 96 14.105 6.591 9.971 776 HE ARG 96 HE ARG 96 11.767 7.460 8.877 777 HH11 ARG 96 1HH1 ARG 96 13.253 7.808 12.035 778 HH12 ARG 96 2HH1 ARG 96 12.549 9.375 12.326 779 HH21 ARG 96 1HH2 ARG 96 10.851 9.481 9.241 780 HH22 ARG 96 2HH2 ARG 96 11.177 10.340 10.723 781 H GLY 97 HN GLY 97 11.174 2.233 10.645 782 HA2 GLY 97 2HA GLY 97 13.463 0.544 9.900 783 HA3 GLY 97 1HA GLY 97 12.893 0.838 11.536 784 H TYR 98 HN TYR 98 11.249 -0.285 8.572 785 HA TYR 98 HA TYR 98 9.816 -2.329 9.978 786 HB2 TYR 98 2HB TYR 98 8.915 -1.328 7.917 787 HB3 TYR 98 1HB TYR 98 10.274 -1.965 6.998 788 HD1 TYR 98 1HD TYR 98 7.647 -3.240 9.336 789 HD2 TYR 98 2HD TYR 98 9.874 -3.890 5.773 790 HE1 TYR 98 1HE TYR 98 6.382 -5.305 8.929 791 HE2 TYR 98 2HE TYR 98 8.608 -5.960 5.355 792 HH TYR 98 HH TYR 98 7.316 -7.641 6.747 793 H LEU 99 HN LEU 99 12.381 -2.419 7.523 794 HA LEU 99 HA LEU 99 13.124 -5.118 8.269 795 HB2 LEU 99 2HB LEU 99 14.372 -3.212 6.279 796 HB3 LEU 99 1HB LEU 99 14.803 -4.899 6.482 797 HG LEU 99 HG LEU 99 12.105 -3.907 5.559 798 HD11 LEU 99 1HD1 LEU 99 13.808 -3.447 3.898 799 HD12 LEU 99 2HD1 LEU 99 12.791 -4.787 3.369 800 HD13 LEU 99 3HD1 LEU 99 14.401 -5.103 4.012 801 HD21 LEU 99 3HD2 LEU 99 11.702 -6.255 5.002 802 HD22 LEU 99 1HD2 LEU 99 11.993 -6.044 6.729 803 HD23 LEU 99 2HD2 LEU 99 13.266 -6.688 5.693 804 H GLU 100 HN GLU 100 15.223 -2.359 7.615 805 HA GLU 100 HA GLU 100 16.001 -1.840 10.257 806 HB2 GLU 100 2HB GLU 100 17.236 -4.147 9.215 807 HB3 GLU 100 1HB GLU 100 18.450 -2.876 9.122 808 HG2 GLU 100 2HG GLU 100 16.939 -3.720 11.587 809 HG3 GLU 100 1HG GLU 100 18.623 -4.085 11.214 810 H HIS 101 HN HIS 101 17.496 -2.064 7.021 811 HA HIS 101 HA HIS 101 18.101 0.817 7.226 812 HB2 HIS 101 2HB HIS 101 19.729 -1.359 5.888 813 HB3 HIS 101 1HB HIS 101 20.068 0.363 5.748 814 HD1 HIS 101 1HD HIS 101 21.134 1.540 7.786 815 HD2 HIS 101 2HD HIS 101 20.403 -2.517 8.361 816 HE1 HIS 101 1HE HIS 101 22.375 0.916 9.875 817 HE2 HIS 101 2HE HIS 101 21.792 -1.495 10.291 818 H HIS 102 HN HIS 102 18.723 1.548 4.775 819 HA HIS 102 HA HIS 102 16.493 0.631 3.077 820 HB2 HIS 102 2HB HIS 102 17.299 3.493 3.618 821 HB3 HIS 102 1HB HIS 102 16.179 3.004 2.354 822 HD1 HIS 102 1HD HIS 102 13.802 2.343 3.058 823 HD2 HIS 102 2HD HIS 102 16.282 3.369 6.238 824 HE1 HIS 102 1HE HIS 102 12.286 2.616 5.047 825 HE2 HIS 102 2HE HIS 102 13.843 2.977 6.989 826 H HIS 103 HN HIS 103 19.441 2.644 3.073 827 HA HIS 103 HA HIS 103 21.029 3.046 1.502 828 HB2 HIS 103 2HB HIS 103 20.103 0.332 0.589 829 HB3 HIS 103 1HB HIS 103 21.261 1.246 -0.369 830 HD1 HIS 103 1HD HIS 103 22.199 -1.383 0.725 831 HD2 HIS 103 2HD HIS 103 22.569 2.200 2.813 832 HE1 HIS 103 1HE HIS 103 24.075 -1.737 2.363 833 HE2 HIS 103 2HE HIS 103 24.417 0.505 3.459 834 H HIS 104 HN HIS 104 18.482 4.238 1.228 835 HA HIS 104 HA HIS 104 17.613 4.045 -1.497 836 HB2 HIS 104 2HB HIS 104 16.054 5.822 -1.006 837 HB3 HIS 104 1HB HIS 104 16.051 4.687 0.333 838 HD1 HIS 104 1HD HIS 104 16.129 8.202 -0.364 839 HD2 HIS 104 2HD HIS 104 17.758 5.749 2.583 840 HE1 HIS 104 1HE HIS 104 16.679 9.719 1.565 841 HE2 HIS 104 2HE HIS 104 17.771 8.240 3.289 842 H HIS 105 HN HIS 105 18.616 4.821 -3.157 843 HA HIS 105 HA HIS 105 19.833 6.095 -4.547 844 HB2 HIS 105 2HB HIS 105 18.817 8.066 -2.672 845 HB3 HIS 105 1HB HIS 105 20.386 8.524 -3.328 846 HD1 HIS 105 1HD HIS 105 19.939 10.139 -5.143 847 HD2 HIS 105 2HD HIS 105 17.286 6.937 -5.216 848 HE1 HIS 105 1HE HIS 105 18.519 10.482 -7.189 849 HE2 HIS 105 2HE HIS 105 17.061 8.434 -7.317 850 H HIS 106 HN HIS 106 21.640 4.994 -4.605 851 HA HIS 106 HA HIS 106 23.861 5.988 -2.967 852 HB2 HIS 106 2HB HIS 106 23.304 3.880 -1.957 853 HB3 HIS 106 1HB HIS 106 23.166 3.097 -3.528 854 HD1 HIS 106 1HD HIS 106 25.145 1.795 -4.218 855 HD2 HIS 106 2HD HIS 106 26.126 4.743 -1.453 856 HE1 HIS 106 1HE HIS 106 27.593 1.491 -3.745 857 HE2 HIS 106 2HE HIS 106 28.200 3.363 -2.176 Start of MODEL 6 1 H1 MET 1 H1 MET 1 -15.471 5.080 5.705 2 H2 MET 1 H2 MET 1 -14.270 4.235 6.553 3 H3 MET 1 H3 MET 1 -15.525 3.383 5.794 4 HA MET 1 HA MET 1 -14.756 4.101 3.640 5 HB2 MET 1 2HB MET 1 -13.753 6.233 4.446 6 HB3 MET 1 1HB MET 1 -12.451 5.309 5.183 7 HG2 MET 1 2HG MET 1 -11.692 6.197 3.093 8 HG3 MET 1 1HG MET 1 -11.844 4.447 2.955 9 HE1 MET 1 2HE MET 1 -15.044 7.331 1.292 10 HE2 MET 1 3HE MET 1 -13.627 7.895 2.178 11 HE3 MET 1 1HE MET 1 -14.864 6.938 3.000 12 H THR 2 HN THR 2 -13.968 2.342 2.685 13 HA THR 2 HA THR 2 -12.358 0.493 4.286 14 HB THR 2 HB THR 2 -12.756 -1.110 2.421 15 HG1 THR 2 1HG THR 2 -14.619 0.790 1.412 16 HG21 THR 2 3HG2 THR 2 -15.153 -1.443 2.862 17 HG22 THR 2 1HG2 THR 2 -15.234 0.164 3.585 18 HG23 THR 2 2HG2 THR 2 -14.254 -1.093 4.339 19 H PHE 3 HN PHE 3 -10.586 -0.694 3.011 20 HA PHE 3 HA PHE 3 -8.709 1.240 2.136 21 HB2 PHE 3 2HB PHE 3 -8.075 -0.900 3.233 22 HB3 PHE 3 1HB PHE 3 -8.585 -1.764 1.785 23 HD1 PHE 3 2HD PHE 3 -6.259 0.899 2.926 24 HD2 PHE 3 1HD PHE 3 -7.068 -2.154 0.074 25 HE1 PHE 3 2HE PHE 3 -4.025 1.225 1.949 26 HE2 PHE 3 1HE PHE 3 -4.840 -1.828 -0.913 27 HZ PHE 3 HZ PHE 3 -3.314 -0.136 0.024 28 H SER 4 HN SER 4 -10.754 -1.107 0.454 29 HA SER 4 HA SER 4 -9.788 -0.739 -2.133 30 HB2 SER 4 2HB SER 4 -12.660 -1.240 -1.328 31 HB3 SER 4 1HB SER 4 -11.928 -1.602 -2.893 32 HG SER 4 HG SER 4 -10.787 -3.232 -2.013 33 H GLU 5 HN GLU 5 -12.375 0.992 -0.429 34 HA GLU 5 HA GLU 5 -13.072 2.730 -2.522 35 HB2 GLU 5 2HB GLU 5 -13.324 2.960 0.471 36 HB3 GLU 5 1HB GLU 5 -14.005 4.135 -0.635 37 HG2 GLU 5 2HG GLU 5 -15.416 2.434 -1.618 38 HG3 GLU 5 1HG GLU 5 -14.694 1.216 -0.567 39 H CYS 6 HN CYS 6 -10.885 3.130 0.231 40 HA CYS 6 HA CYS 6 -10.257 5.833 -0.261 41 HB2 CYS 6 2HB CYS 6 -9.899 4.470 1.865 42 HB3 CYS 6 1HB CYS 6 -8.443 3.860 1.107 43 HG CYS 6 HG CYS 6 -7.765 6.779 0.659 44 H ALA 7 HN ALA 7 -8.575 2.834 -1.087 45 HA ALA 7 HA ALA 7 -6.376 3.953 -2.409 46 HB1 ALA 7 1HB ALA 7 -7.762 1.339 -3.018 47 HB2 ALA 7 2HB ALA 7 -6.498 1.580 -1.813 48 HB3 ALA 7 3HB ALA 7 -6.134 1.789 -3.525 49 H ALA 8 HN ALA 8 -9.551 2.989 -3.657 50 HA ALA 8 HA ALA 8 -9.113 3.643 -6.345 51 HB1 ALA 8 1HB ALA 8 -11.037 2.338 -5.577 52 HB2 ALA 8 2HB ALA 8 -11.536 3.712 -6.562 53 HB3 ALA 8 3HB ALA 8 -11.706 3.777 -4.807 54 H LEU 9 HN LEU 9 -10.360 5.607 -3.661 55 HA LEU 9 HA LEU 9 -10.875 7.943 -5.125 56 HB2 LEU 9 2HB LEU 9 -10.045 7.657 -2.235 57 HB3 LEU 9 1HB LEU 9 -10.687 9.119 -2.952 58 HG LEU 9 HG LEU 9 -12.178 6.509 -2.675 59 HD11 LEU 9 1HD1 LEU 9 -11.877 7.610 -0.542 60 HD12 LEU 9 2HD1 LEU 9 -13.554 7.752 -1.072 61 HD13 LEU 9 3HD1 LEU 9 -12.462 9.130 -1.219 62 HD21 LEU 9 3HD2 LEU 9 -13.090 9.190 -3.710 63 HD22 LEU 9 1HD2 LEU 9 -14.115 7.779 -3.449 64 HD23 LEU 9 2HD2 LEU 9 -12.847 7.732 -4.673 65 H TYR 10 HN TYR 10 -7.940 6.856 -3.459 66 HA TYR 10 HA TYR 10 -6.387 9.149 -3.881 67 HB2 TYR 10 2HB TYR 10 -5.677 7.356 -2.372 68 HB3 TYR 10 1HB TYR 10 -5.497 6.258 -3.734 69 HD1 TYR 10 1HD TYR 10 -4.225 9.508 -2.434 70 HD2 TYR 10 2HD TYR 10 -3.416 6.053 -4.780 71 HE1 TYR 10 1HE TYR 10 -1.899 10.244 -2.708 72 HE2 TYR 10 2HE TYR 10 -1.082 6.784 -5.057 73 HH TYR 10 HH TYR 10 0.243 9.419 -3.241 74 H ILE 11 HN ILE 11 -6.701 6.214 -5.827 75 HA ILE 11 HA ILE 11 -4.871 7.000 -7.834 76 HB ILE 11 HB ILE 11 -7.121 4.982 -7.932 77 HG12 ILE 11 2HG1 ILE 11 -4.140 4.605 -7.537 78 HG13 ILE 11 1HG1 ILE 11 -5.326 4.606 -6.235 79 HG21 ILE 11 1HG2 ILE 11 -4.802 5.371 -9.821 80 HG22 ILE 11 2HG2 ILE 11 -6.500 5.675 -10.183 81 HG23 ILE 11 3HG2 ILE 11 -5.947 4.031 -9.865 82 HD11 ILE 11 3HD1 ILE 11 -5.204 2.646 -8.515 83 HD12 ILE 11 1HD1 ILE 11 -6.396 2.644 -7.214 84 HD13 ILE 11 2HD1 ILE 11 -4.694 2.351 -6.852 85 H LYS 12 HN LYS 12 -8.431 7.133 -7.698 86 HA LYS 12 HA LYS 12 -8.719 8.142 -10.331 87 HB2 LYS 12 2HB LYS 12 -10.606 8.177 -7.977 88 HB3 LYS 12 1HB LYS 12 -11.053 8.692 -9.599 89 HG2 LYS 12 2HG LYS 12 -10.619 6.487 -10.469 90 HG3 LYS 12 1HG LYS 12 -10.026 5.949 -8.901 91 HD2 LYS 12 2HD LYS 12 -12.271 5.141 -9.209 92 HD3 LYS 12 1HD LYS 12 -12.276 6.379 -7.953 93 HE2 LYS 12 2HE LYS 12 -13.193 7.997 -9.441 94 HE3 LYS 12 1HE LYS 12 -12.947 6.942 -10.835 95 HZ1 LYS 12 3HZ LYS 12 -14.792 6.373 -8.572 96 HZ2 LYS 12 1HZ LYS 12 -14.584 5.424 -9.963 97 HZ3 LYS 12 2HZ LYS 12 -15.262 6.971 -10.085 98 H ALA 13 HN ALA 13 -8.326 9.721 -7.207 99 HA ALA 13 HA ALA 13 -8.839 12.348 -8.277 100 HB1 ALA 13 1HB ALA 13 -9.286 11.849 -5.920 101 HB2 ALA 13 2HB ALA 13 -8.142 13.178 -6.095 102 HB3 ALA 13 3HB ALA 13 -7.566 11.570 -5.652 103 H HIS 14 HN HIS 14 -6.384 10.314 -8.888 104 HA HIS 14 HA HIS 14 -4.535 12.555 -9.359 105 HB2 HIS 14 2HB HIS 14 -3.880 9.836 -8.241 106 HB3 HIS 14 1HB HIS 14 -2.663 10.834 -9.025 107 HD1 HIS 14 1HD HIS 14 -4.584 10.446 -5.883 108 HD2 HIS 14 2HD HIS 14 -1.931 13.159 -7.580 109 HE1 HIS 14 1HE HIS 14 -3.834 11.934 -3.994 110 HE2 HIS 14 2HE HIS 14 -2.069 13.425 -5.005 111 H ARG 15 HN ARG 15 -6.481 10.428 -10.818 112 HA ARG 15 HA ARG 15 -4.766 9.187 -12.702 113 HB2 ARG 15 2HB ARG 15 -6.765 8.577 -13.911 114 HB3 ARG 15 1HB ARG 15 -7.035 8.349 -12.194 115 HG2 ARG 15 2HG ARG 15 -8.318 10.411 -12.104 116 HG3 ARG 15 1HG ARG 15 -8.007 10.690 -13.818 117 HD2 ARG 15 2HD ARG 15 -9.204 8.661 -14.397 118 HD3 ARG 15 1HD ARG 15 -9.459 8.298 -12.691 119 HE ARG 15 HE ARG 15 -10.667 10.622 -12.808 120 HH11 ARG 15 1HH1 ARG 15 -10.759 8.006 -15.148 121 HH12 ARG 15 2HH1 ARG 15 -12.345 8.416 -15.732 122 HH21 ARG 15 1HH2 ARG 15 -12.787 11.116 -13.536 123 HH22 ARG 15 2HH2 ARG 15 -13.506 10.151 -14.794 124 H SER 16 HN SER 16 -6.301 12.298 -12.536 125 HA SER 16 HA SER 16 -5.905 13.080 -15.223 126 HB2 SER 16 2HB SER 16 -6.019 14.850 -12.778 127 HB3 SER 16 1HB SER 16 -6.498 15.248 -14.424 128 HG SER 16 HG SER 16 -8.372 14.777 -13.362 129 H SER 17 HN SER 17 -3.900 12.923 -12.409 130 HA SER 17 HA SER 17 -1.822 14.633 -13.444 131 HB2 SER 17 2HB SER 17 -1.706 12.760 -11.068 132 HB3 SER 17 1HB SER 17 -0.714 14.182 -11.369 133 HG SER 17 HG SER 17 -2.939 15.270 -11.391 134 H TRP 18 HN TRP 18 -2.754 11.393 -13.747 135 HA TRP 18 HA TRP 18 -0.056 10.537 -14.495 136 HB2 TRP 18 2HB TRP 18 -2.512 9.000 -13.671 137 HB3 TRP 18 1HB TRP 18 -1.154 8.214 -14.468 138 HD1 TRP 18 1HD TRP 18 1.204 9.708 -12.934 139 HE1 TRP 18 1HE TRP 18 1.668 9.133 -10.470 140 HE3 TRP 18 3HE TRP 18 -3.348 7.728 -11.701 141 HZ2 TRP 18 2HZ TRP 18 0.279 7.983 -8.288 142 HZ3 TRP 18 3HZ TRP 18 -3.695 6.910 -9.407 143 HH2 TRP 18 2HH TRP 18 -1.922 7.034 -7.739 144 H LYS 19 HN LYS 19 -1.427 12.229 -16.255 145 HA LYS 19 HA LYS 19 -1.593 12.457 -18.417 146 HB2 LYS 19 2HB LYS 19 -0.563 9.660 -18.466 147 HB3 LYS 19 1HB LYS 19 -0.940 10.563 -19.933 148 HG2 LYS 19 2HG LYS 19 0.561 12.394 -19.044 149 HG3 LYS 19 1HG LYS 19 1.085 11.247 -17.814 150 HD2 LYS 19 2HD LYS 19 2.639 11.318 -19.688 151 HD3 LYS 19 1HD LYS 19 1.872 9.736 -19.553 152 HE2 LYS 19 2HE LYS 19 0.378 10.240 -21.363 153 HE3 LYS 19 1HE LYS 19 0.938 11.911 -21.418 154 HZ1 LYS 19 3HZ LYS 19 2.924 9.788 -21.778 155 HZ2 LYS 19 1HZ LYS 19 2.856 11.337 -22.466 156 HZ3 LYS 19 2HZ LYS 19 1.858 10.100 -23.060 157 H ASN 20 HN ASN 20 -4.044 11.293 -20.210 158 HA ASN 20 HA ASN 20 -4.095 8.659 -19.600 159 HB2 ASN 20 2HB ASN 20 -3.594 10.038 -22.192 160 HB3 ASN 20 1HB ASN 20 -3.733 8.287 -22.071 161 HD21 ASN 20 1HD2 ASN 20 -5.441 10.169 -23.454 162 HD22 ASN 20 2HD2 ASN 20 -7.023 9.968 -22.780 163 H THR 21 HN THR 21 -2.401 8.080 -18.320 164 HA THR 21 HA THR 21 -0.865 6.347 -20.103 165 HB THR 21 HB THR 21 0.855 6.149 -18.123 166 HG1 THR 21 1HG THR 21 -0.533 8.355 -17.421 167 HG21 THR 21 3HG2 THR 21 2.335 7.732 -19.269 168 HG22 THR 21 1HG2 THR 21 0.950 8.379 -20.148 169 HG23 THR 21 2HG2 THR 21 1.454 6.706 -20.401 170 H LYS 22 HN LYS 22 -0.296 4.261 -18.984 171 HA LYS 22 HA LYS 22 -2.734 3.278 -17.860 172 HB2 LYS 22 2HB LYS 22 -0.086 1.907 -18.305 173 HB3 LYS 22 1HB LYS 22 -1.564 1.097 -17.816 174 HG2 LYS 22 2HG LYS 22 -2.622 1.902 -19.919 175 HG3 LYS 22 1HG LYS 22 -1.043 2.516 -20.412 176 HD2 LYS 22 2HD LYS 22 -1.714 -0.358 -19.777 177 HD3 LYS 22 1HD LYS 22 -1.470 0.317 -21.389 178 HE2 LYS 22 2HE LYS 22 0.839 0.818 -20.868 179 HE3 LYS 22 1HE LYS 22 0.610 0.272 -19.207 180 HZ1 LYS 22 3HZ LYS 22 0.446 -1.412 -21.650 181 HZ2 LYS 22 1HZ LYS 22 0.121 -1.957 -20.075 182 HZ3 LYS 22 2HZ LYS 22 1.681 -1.438 -20.490 183 H HIS 23 HN HIS 23 -0.388 4.925 -16.330 184 HA HIS 23 HA HIS 23 0.471 3.378 -14.187 185 HB2 HIS 23 2HB HIS 23 0.062 6.336 -14.501 186 HB3 HIS 23 1HB HIS 23 0.545 5.668 -12.946 187 HD1 HIS 23 1HD HIS 23 2.994 5.326 -12.609 188 HD2 HIS 23 2HD HIS 23 1.989 5.697 -16.630 189 HE1 HIS 23 1HE HIS 23 5.175 5.357 -13.856 190 HE2 HIS 23 2HE HIS 23 4.541 5.421 -16.293 191 H ALA 24 HN ALA 24 -2.449 5.413 -14.391 192 HA ALA 24 HA ALA 24 -3.318 5.052 -11.757 193 HB1 ALA 24 1HB ALA 24 -4.998 5.480 -14.227 194 HB2 ALA 24 2HB ALA 24 -4.251 6.744 -13.250 195 HB3 ALA 24 3HB ALA 24 -5.523 5.733 -12.562 196 H ASP 25 HN ASP 25 -3.962 3.138 -14.662 197 HA ASP 25 HA ASP 25 -5.792 1.369 -13.378 198 HB2 ASP 25 2HB ASP 25 -5.731 1.837 -15.841 199 HB3 ASP 25 1HB ASP 25 -4.235 0.920 -15.931 200 H GLN 26 HN GLN 26 -2.370 1.179 -14.279 201 HA GLN 26 HA GLN 26 -1.867 -1.442 -13.458 202 HB2 GLN 26 2HB GLN 26 -0.080 0.985 -13.590 203 HB3 GLN 26 1HB GLN 26 0.509 -0.632 -13.258 204 HG2 GLN 26 2HG GLN 26 -0.937 0.223 -15.751 205 HG3 GLN 26 1HG GLN 26 0.800 -0.015 -15.598 206 HE21 GLN 26 1HE2 GLN 26 1.622 -2.091 -15.448 207 HE22 GLN 26 2HE2 GLN 26 0.684 -3.493 -15.843 208 H TRP 27 HN TRP 27 -1.685 1.606 -11.632 209 HA TRP 27 HA TRP 27 -0.778 0.612 -9.194 210 HB2 TRP 27 2HB TRP 27 -2.469 2.928 -10.003 211 HB3 TRP 27 1HB TRP 27 -2.475 2.480 -8.303 212 HD1 TRP 27 1HD TRP 27 0.234 3.222 -10.998 213 HE1 TRP 27 1HE TRP 27 2.113 4.570 -9.861 214 HE3 TRP 27 3HE TRP 27 -1.623 3.319 -6.237 215 HZ2 TRP 27 2HZ TRP 27 2.716 5.541 -7.273 216 HZ3 TRP 27 3HZ TRP 27 -0.337 4.477 -4.492 217 HH2 TRP 27 2HH TRP 27 1.787 5.566 -4.999 218 H THR 28 HN THR 28 -4.081 0.868 -10.424 219 HA THR 28 HA THR 28 -5.394 -0.208 -8.192 220 HB THR 28 HB THR 28 -6.291 -0.384 -11.078 221 HG1 THR 28 1HG THR 28 -5.823 1.777 -10.573 222 HG21 THR 28 3HG2 THR 28 -7.862 -0.303 -8.499 223 HG22 THR 28 1HG2 THR 28 -7.613 -1.728 -9.509 224 HG23 THR 28 2HG2 THR 28 -8.539 -0.361 -10.127 225 H ASN 29 HN ASN 29 -4.309 -1.740 -11.209 226 HA ASN 29 HA ASN 29 -5.444 -4.226 -10.874 227 HB2 ASN 29 2HB ASN 29 -2.907 -3.385 -12.273 228 HB3 ASN 29 1HB ASN 29 -3.594 -4.988 -12.409 229 HD21 ASN 29 1HD2 ASN 29 -3.138 -2.946 -14.427 230 HD22 ASN 29 2HD2 ASN 29 -4.675 -2.614 -15.150 231 H THR 30 HN THR 30 -2.199 -3.163 -9.860 232 HA THR 30 HA THR 30 -1.369 -5.713 -8.977 233 HB THR 30 HB THR 30 -0.337 -3.085 -7.930 234 HG1 THR 30 1HG THR 30 -0.126 -4.260 -10.461 235 HG21 THR 30 3HG2 THR 30 0.535 -5.070 -6.812 236 HG22 THR 30 1HG2 THR 30 1.790 -4.308 -7.787 237 HG23 THR 30 2HG2 THR 30 0.982 -5.764 -8.371 238 H ILE 31 HN ILE 31 -2.645 -2.904 -7.187 239 HA ILE 31 HA ILE 31 -2.423 -4.121 -4.637 240 HB ILE 31 HB ILE 31 -4.169 -1.808 -5.498 241 HG12 ILE 31 2HG1 ILE 31 -1.438 -1.826 -4.192 242 HG13 ILE 31 1HG1 ILE 31 -1.737 -1.482 -5.891 243 HG21 ILE 31 1HG2 ILE 31 -4.951 -2.770 -3.410 244 HG22 ILE 31 2HG2 ILE 31 -4.181 -1.212 -3.108 245 HG23 ILE 31 3HG2 ILE 31 -3.321 -2.709 -2.743 246 HD11 ILE 31 3HD1 ILE 31 -3.069 0.476 -5.231 247 HD12 ILE 31 1HD1 ILE 31 -1.400 0.566 -4.672 248 HD13 ILE 31 2HD1 ILE 31 -2.685 0.142 -3.541 249 H LYS 32 HN LYS 32 -5.097 -3.776 -6.927 250 HA LYS 32 HA LYS 32 -7.171 -4.774 -5.339 251 HB2 LYS 32 2HB LYS 32 -7.231 -3.619 -7.645 252 HB3 LYS 32 1HB LYS 32 -6.931 -5.211 -8.316 253 HG2 LYS 32 2HG LYS 32 -9.273 -4.668 -6.518 254 HG3 LYS 32 1HG LYS 32 -9.329 -4.377 -8.255 255 HD2 LYS 32 2HD LYS 32 -8.641 -6.768 -8.580 256 HD3 LYS 32 1HD LYS 32 -8.867 -6.996 -6.844 257 HE2 LYS 32 2HE LYS 32 -11.211 -6.224 -7.102 258 HE3 LYS 32 1HE LYS 32 -10.958 -6.144 -8.845 259 HZ1 LYS 32 3HZ LYS 32 -10.362 -8.556 -8.724 260 HZ2 LYS 32 1HZ LYS 32 -11.987 -8.205 -8.376 261 HZ3 LYS 32 2HZ LYS 32 -10.904 -8.551 -7.119 262 H THR 33 HN THR 33 -4.679 -6.378 -7.182 263 HA THR 33 HA THR 33 -5.919 -8.971 -7.059 264 HB THR 33 HB THR 33 -3.132 -8.162 -7.916 265 HG1 THR 33 1HG THR 33 -4.448 -7.255 -9.386 266 HG21 THR 33 3HG2 THR 33 -3.090 -10.307 -9.093 267 HG22 THR 33 1HG2 THR 33 -4.675 -10.711 -8.434 268 HG23 THR 33 2HG2 THR 33 -3.287 -10.548 -7.358 269 H TYR 34 HN TYR 34 -3.010 -7.489 -5.578 270 HA TYR 34 HA TYR 34 -2.426 -9.915 -4.149 271 HB2 TYR 34 2HB TYR 34 -1.144 -7.199 -4.203 272 HB3 TYR 34 1HB TYR 34 -0.606 -8.460 -3.099 273 HD1 TYR 34 2HD TYR 34 0.310 -10.595 -4.039 274 HD2 TYR 34 1HD TYR 34 -0.525 -7.217 -6.490 275 HE1 TYR 34 2HE TYR 34 1.733 -11.534 -5.808 276 HE2 TYR 34 1HE TYR 34 0.901 -8.147 -8.264 277 HH TYR 34 HH TYR 34 1.991 -11.357 -8.241 278 H CYS 35 HN CYS 35 -3.540 -6.670 -3.174 279 HA CYS 35 HA CYS 35 -3.758 -7.690 -0.426 280 HB2 CYS 35 2HB CYS 35 -3.662 -4.835 -1.417 281 HB3 CYS 35 1HB CYS 35 -3.762 -5.324 0.271 282 HG CYS 35 HG CYS 35 -1.210 -6.864 -1.050 283 H GLY 36 HN GLY 36 -5.639 -6.990 -3.093 284 HA2 GLY 36 2HA GLY 36 -7.873 -5.661 -2.150 285 HA3 GLY 36 1HA GLY 36 -7.899 -6.854 -3.437 286 HA PRO 37 HA PRO 37 -10.171 -9.739 -1.028 287 HB2 PRO 37 2HB PRO 37 -8.060 -11.805 -1.084 288 HB3 PRO 37 1HB PRO 37 -9.697 -11.852 -1.748 289 HG2 PRO 37 2HG PRO 37 -7.562 -11.649 -3.344 290 HG3 PRO 37 1HG PRO 37 -9.070 -10.796 -3.714 291 HD2 PRO 37 2HD PRO 37 -6.540 -9.737 -2.511 292 HD3 PRO 37 1HD PRO 37 -7.599 -9.002 -3.734 293 H VAL 38 HN VAL 38 -7.063 -8.875 0.113 294 HA VAL 38 HA VAL 38 -7.336 -10.370 2.599 295 HB VAL 38 HB VAL 38 -5.083 -8.536 1.767 296 HG11 VAL 38 1HG1 VAL 38 -3.806 -9.745 3.484 297 HG12 VAL 38 2HG1 VAL 38 -5.258 -10.645 3.917 298 HG13 VAL 38 3HG1 VAL 38 -5.196 -8.901 4.167 299 HG21 VAL 38 3HG2 VAL 38 -5.308 -10.370 0.177 300 HG22 VAL 38 1HG2 VAL 38 -5.303 -11.535 1.502 301 HG23 VAL 38 2HG2 VAL 38 -3.862 -10.574 1.165 302 H ILE 39 HN ILE 39 -6.475 -6.972 1.829 303 HA ILE 39 HA ILE 39 -7.778 -6.236 4.375 304 HB ILE 39 HB ILE 39 -6.223 -4.301 4.461 305 HG12 ILE 39 2HG1 ILE 39 -4.833 -5.721 2.175 306 HG13 ILE 39 1HG1 ILE 39 -5.700 -4.195 2.051 307 HG21 ILE 39 1HG2 ILE 39 -5.786 -6.356 5.724 308 HG22 ILE 39 2HG2 ILE 39 -4.289 -5.572 5.220 309 HG23 ILE 39 3HG2 ILE 39 -4.869 -6.998 4.359 310 HD11 ILE 39 3HD1 ILE 39 -3.239 -4.668 3.715 311 HD12 ILE 39 1HD1 ILE 39 -4.093 -3.136 3.526 312 HD13 ILE 39 2HD1 ILE 39 -3.286 -3.872 2.141 313 H GLY 40 HN GLY 40 -8.339 -6.111 1.204 314 HA2 GLY 40 2HA GLY 40 -8.837 -3.449 0.545 315 HA3 GLY 40 1HA GLY 40 -9.643 -4.834 -0.167 316 HA PRO 41 HA PRO 41 -13.446 -3.838 1.782 317 HB2 PRO 41 2HB PRO 41 -13.763 -6.405 3.164 318 HB3 PRO 41 1HB PRO 41 -14.672 -5.747 1.802 319 HG2 PRO 41 2HG PRO 41 -12.973 -7.818 1.523 320 HG3 PRO 41 1HG PRO 41 -13.212 -6.616 0.240 321 HD2 PRO 41 2HD PRO 41 -10.992 -6.839 2.241 322 HD3 PRO 41 1HD PRO 41 -10.907 -6.474 0.505 323 H LEU 42 HN LEU 42 -10.829 -4.323 3.752 324 HA LEU 42 HA LEU 42 -12.229 -4.022 6.278 325 HB2 LEU 42 2HB LEU 42 -9.277 -3.952 5.631 326 HB3 LEU 42 1HB LEU 42 -9.955 -3.913 7.246 327 HG LEU 42 HG LEU 42 -10.152 -6.214 5.299 328 HD11 LEU 42 1HD1 LEU 42 -8.730 -7.371 6.928 329 HD12 LEU 42 2HD1 LEU 42 -8.606 -5.885 7.868 330 HD13 LEU 42 3HD1 LEU 42 -7.926 -5.959 6.242 331 HD21 LEU 42 3HD2 LEU 42 -11.156 -5.955 8.131 332 HD22 LEU 42 1HD2 LEU 42 -11.167 -7.430 7.164 333 HD23 LEU 42 2HD2 LEU 42 -12.152 -6.051 6.680 334 H SER 43 HN SER 43 -11.717 -2.180 7.704 335 HA SER 43 HA SER 43 -12.111 0.283 6.430 336 HB2 SER 43 2HB SER 43 -11.169 -0.202 9.257 337 HB3 SER 43 1HB SER 43 -12.103 1.145 8.641 338 HG SER 43 HG SER 43 -12.940 -1.530 8.984 339 H VAL 44 HN VAL 44 -10.678 1.818 5.784 340 HA VAL 44 HA VAL 44 -7.968 1.108 5.398 341 HB VAL 44 HB VAL 44 -9.213 2.640 3.912 342 HG11 VAL 44 1HG1 VAL 44 -8.914 4.639 6.152 343 HG12 VAL 44 2HG1 VAL 44 -10.422 3.936 5.566 344 HG13 VAL 44 3HG1 VAL 44 -9.482 5.002 4.521 345 HG21 VAL 44 3HG2 VAL 44 -7.379 4.177 3.469 346 HG22 VAL 44 1HG2 VAL 44 -6.774 2.565 3.850 347 HG23 VAL 44 2HG2 VAL 44 -6.697 3.845 5.061 348 H GLN 45 HN GLN 45 -9.596 2.758 7.961 349 HA GLN 45 HA GLN 45 -7.268 3.964 9.095 350 HB2 GLN 45 2HB GLN 45 -8.792 4.404 10.992 351 HB3 GLN 45 1HB GLN 45 -9.432 4.959 9.460 352 HG2 GLN 45 2HG GLN 45 -10.751 2.830 9.359 353 HG3 GLN 45 1HG GLN 45 -10.234 2.516 11.014 354 HE21 GLN 45 1HE2 GLN 45 -10.322 5.391 11.691 355 HE22 GLN 45 2HE2 GLN 45 -12.005 5.757 11.867 356 H ASP 46 HN ASP 46 -8.656 0.842 9.111 357 HA ASP 46 HA ASP 46 -7.519 0.073 11.676 358 HB2 ASP 46 2HB ASP 46 -9.319 -1.285 9.688 359 HB3 ASP 46 1HB ASP 46 -8.538 -2.197 10.972 360 H VAL 47 HN VAL 47 -6.465 0.302 8.538 361 HA VAL 47 HA VAL 47 -4.943 -2.055 8.246 362 HB VAL 47 HB VAL 47 -4.356 0.688 7.112 363 HG11 VAL 47 1HG1 VAL 47 -2.416 -0.788 7.032 364 HG12 VAL 47 2HG1 VAL 47 -3.066 -0.503 5.418 365 HG13 VAL 47 3HG1 VAL 47 -3.386 -2.031 6.239 366 HG21 VAL 47 3HG2 VAL 47 -5.877 -1.628 5.920 367 HG22 VAL 47 1HG2 VAL 47 -5.482 -0.118 5.097 368 HG23 VAL 47 2HG2 VAL 47 -6.573 -0.108 6.483 369 H ASP 48 HN ASP 48 -3.436 -2.722 9.602 370 HA ASP 48 HA ASP 48 -1.632 -0.736 10.815 371 HB2 ASP 48 2HB ASP 48 -3.217 -1.452 12.510 372 HB3 ASP 48 1HB ASP 48 -2.898 -3.142 12.156 373 H THR 49 HN THR 49 0.343 -1.837 11.734 374 HA THR 49 HA THR 49 1.814 -3.025 9.695 375 HB THR 49 HB THR 49 2.652 -3.664 12.464 376 HG1 THR 49 1HG THR 49 2.102 -1.727 13.148 377 HG21 THR 49 3HG2 THR 49 3.987 -2.229 10.161 378 HG22 THR 49 1HG2 THR 49 4.154 -3.943 10.542 379 HG23 THR 49 2HG2 THR 49 4.772 -2.726 11.659 380 H LYS 50 HN LYS 50 -0.072 -4.462 12.294 381 HA LYS 50 HA LYS 50 0.827 -7.101 12.146 382 HB2 LYS 50 2HB LYS 50 -1.300 -5.644 13.363 383 HB3 LYS 50 1HB LYS 50 -1.981 -7.076 12.610 384 HG2 LYS 50 2HG LYS 50 0.302 -7.065 14.568 385 HG3 LYS 50 1HG LYS 50 -1.377 -7.441 14.954 386 HD2 LYS 50 2HD LYS 50 -1.280 -9.306 13.321 387 HD3 LYS 50 1HD LYS 50 0.438 -8.964 13.091 388 HE2 LYS 50 2HE LYS 50 0.832 -9.382 15.468 389 HE3 LYS 50 1HE LYS 50 -0.882 -9.726 15.692 390 HZ1 LYS 50 3HZ LYS 50 0.277 -11.774 15.486 391 HZ2 LYS 50 1HZ LYS 50 1.050 -11.273 14.059 392 HZ3 LYS 50 2HZ LYS 50 -0.622 -11.554 14.065 393 H LEU 51 HN LEU 51 -1.768 -5.477 10.373 394 HA LEU 51 HA LEU 51 -2.511 -7.748 8.832 395 HB2 LEU 51 2HB LEU 51 -2.983 -4.799 8.401 396 HB3 LEU 51 1HB LEU 51 -3.759 -6.072 7.491 397 HG LEU 51 HG LEU 51 -4.082 -5.555 10.437 398 HD11 LEU 51 1HD1 LEU 51 -6.017 -5.202 8.152 399 HD12 LEU 51 2HD1 LEU 51 -5.197 -3.900 9.015 400 HD13 LEU 51 3HD1 LEU 51 -6.359 -4.921 9.860 401 HD21 LEU 51 3HD2 LEU 51 -5.421 -7.600 8.672 402 HD22 LEU 51 1HD2 LEU 51 -5.792 -7.295 10.368 403 HD23 LEU 51 2HD2 LEU 51 -4.215 -7.941 9.912 404 H ILE 52 HN ILE 52 -0.386 -5.000 8.378 405 HA ILE 52 HA ILE 52 0.178 -5.361 5.653 406 HB ILE 52 HB ILE 52 1.745 -4.032 7.856 407 HG12 ILE 52 2HG1 ILE 52 0.062 -2.907 5.612 408 HG13 ILE 52 1HG1 ILE 52 -0.466 -3.083 7.282 409 HG21 ILE 52 1HG2 ILE 52 3.312 -4.655 6.119 410 HG22 ILE 52 2HG2 ILE 52 3.035 -2.913 6.088 411 HG23 ILE 52 3HG2 ILE 52 2.264 -3.950 4.888 412 HD11 ILE 52 3HD1 ILE 52 1.234 -1.509 8.000 413 HD12 ILE 52 1HD1 ILE 52 0.190 -0.798 6.769 414 HD13 ILE 52 2HD1 ILE 52 1.807 -1.356 6.339 415 H MET 53 HN MET 53 1.799 -6.584 8.562 416 HA MET 53 HA MET 53 3.961 -7.840 7.262 417 HB2 MET 53 2HB MET 53 2.602 -8.422 9.896 418 HB3 MET 53 1HB MET 53 4.039 -9.275 9.354 419 HG2 MET 53 2HG MET 53 5.281 -7.189 9.310 420 HG3 MET 53 1HG MET 53 3.837 -6.308 9.808 421 HE1 MET 53 3HE MET 53 6.124 -6.162 12.988 422 HE2 MET 53 1HE MET 53 5.177 -5.216 11.839 423 HE3 MET 53 2HE MET 53 6.619 -6.076 11.298 424 H LYS 54 HN LYS 54 0.745 -9.022 8.154 425 HA LYS 54 HA LYS 54 1.158 -11.705 7.492 426 HB2 LYS 54 2HB LYS 54 -1.225 -9.972 7.870 427 HB3 LYS 54 1HB LYS 54 -1.461 -11.518 7.065 428 HG2 LYS 54 2HG LYS 54 0.144 -11.658 9.514 429 HG3 LYS 54 1HG LYS 54 -1.524 -11.140 9.752 430 HD2 LYS 54 2HD LYS 54 -1.257 -13.583 9.946 431 HD3 LYS 54 1HD LYS 54 -2.346 -13.123 8.639 432 HE2 LYS 54 2HE LYS 54 -0.979 -14.863 7.794 433 HE3 LYS 54 1HE LYS 54 -0.387 -13.369 7.072 434 HZ1 LYS 54 3HZ LYS 54 0.817 -14.781 9.391 435 HZ2 LYS 54 1HZ LYS 54 1.395 -13.330 8.728 436 HZ3 LYS 54 2HZ LYS 54 1.433 -14.758 7.815 437 H VAL 55 HN VAL 55 0.130 -8.990 5.485 438 HA VAL 55 HA VAL 55 -0.474 -10.531 3.183 439 HB VAL 55 HB VAL 55 0.421 -7.641 3.303 440 HG11 VAL 55 1HG1 VAL 55 -0.746 -7.434 1.149 441 HG12 VAL 55 2HG1 VAL 55 -1.062 -9.170 1.163 442 HG13 VAL 55 3HG1 VAL 55 0.595 -8.575 1.064 443 HG21 VAL 55 3HG2 VAL 55 -1.963 -7.091 3.269 444 HG22 VAL 55 1HG2 VAL 55 -1.550 -8.037 4.698 445 HG23 VAL 55 2HG2 VAL 55 -2.366 -8.807 3.336 446 H LEU 56 HN LEU 56 2.461 -8.908 4.293 447 HA LEU 56 HA LEU 56 3.894 -9.435 1.853 448 HB2 LEU 56 2HB LEU 56 4.735 -8.298 4.507 449 HB3 LEU 56 1HB LEU 56 5.825 -8.482 3.148 450 HG LEU 56 HG LEU 56 3.363 -6.736 3.241 451 HD11 LEU 56 1HD1 LEU 56 4.972 -4.904 3.074 452 HD12 LEU 56 2HD1 LEU 56 6.299 -6.062 3.140 453 HD13 LEU 56 3HD1 LEU 56 5.234 -5.863 4.531 454 HD21 LEU 56 3HD2 LEU 56 3.702 -7.686 1.013 455 HD22 LEU 56 1HD2 LEU 56 5.374 -7.126 1.025 456 HD23 LEU 56 2HD2 LEU 56 4.052 -5.956 1.035 457 H ASP 57 HN ASP 57 3.440 -11.052 4.835 458 HA ASP 57 HA ASP 57 5.751 -12.261 5.503 459 HB2 ASP 57 2HB ASP 57 3.396 -12.489 6.507 460 HB3 ASP 57 1HB ASP 57 3.210 -13.854 5.433 461 HA PRO 58 HA PRO 58 5.364 -15.943 2.478 462 HB2 PRO 58 2HB PRO 58 3.462 -16.023 0.584 463 HB3 PRO 58 1HB PRO 58 3.138 -16.535 2.246 464 HG2 PRO 58 2HG PRO 58 2.512 -13.920 0.920 465 HG3 PRO 58 1HG PRO 58 1.474 -14.920 1.954 466 HD2 PRO 58 2HD PRO 58 2.822 -12.750 2.879 467 HD3 PRO 58 1HD PRO 58 2.459 -14.162 3.887 468 H ILE 59 HN ILE 59 5.108 -12.691 1.451 469 HA ILE 59 HA ILE 59 5.859 -13.210 -1.304 470 HB ILE 59 HB ILE 59 5.603 -10.545 0.098 471 HG12 ILE 59 2HG1 ILE 59 3.570 -12.059 -1.564 472 HG13 ILE 59 1HG1 ILE 59 3.493 -11.819 0.178 473 HG21 ILE 59 1HG2 ILE 59 5.601 -11.254 -2.836 474 HG22 ILE 59 2HG2 ILE 59 6.922 -10.480 -1.962 475 HG23 ILE 59 3HG2 ILE 59 5.384 -9.640 -2.159 476 HD11 ILE 59 3HD1 ILE 59 2.004 -10.297 -0.955 477 HD12 ILE 59 1HD1 ILE 59 3.338 -9.675 -1.925 478 HD13 ILE 59 2HD1 ILE 59 3.313 -9.400 -0.182 479 H TRP 60 HN TRP 60 7.355 -11.997 1.655 480 HA TRP 60 HA TRP 60 9.738 -10.991 0.598 481 HB2 TRP 60 2HB TRP 60 9.247 -12.349 3.257 482 HB3 TRP 60 1HB TRP 60 10.739 -11.518 2.838 483 HD1 TRP 60 1HD TRP 60 7.639 -10.929 4.618 484 HE1 TRP 60 1HE TRP 60 7.190 -8.420 4.928 485 HE3 TRP 60 3HE TRP 60 10.985 -9.070 1.226 486 HZ2 TRP 60 2HZ TRP 60 8.115 -5.975 3.871 487 HZ3 TRP 60 3HZ TRP 60 11.136 -6.635 0.939 488 HH2 TRP 60 2HH TRP 60 9.731 -5.121 2.234 489 H GLU 61 HN GLU 61 8.725 -14.276 1.164 490 HA GLU 61 HA GLU 61 11.188 -15.575 1.069 491 HB2 GLU 61 2HB GLU 61 8.559 -16.226 1.441 492 HB3 GLU 61 1HB GLU 61 8.889 -16.948 -0.126 493 HG2 GLU 61 2HG GLU 61 10.705 -17.410 2.193 494 HG3 GLU 61 1HG GLU 61 9.218 -18.323 1.988 495 H GLN 62 HN GLN 62 8.759 -15.185 -1.517 496 HA GLN 62 HA GLN 62 10.546 -16.283 -3.444 497 HB2 GLN 62 2HB GLN 62 8.039 -16.629 -3.336 498 HB3 GLN 62 1HB GLN 62 7.879 -14.991 -3.954 499 HG2 GLN 62 2HG GLN 62 9.178 -15.607 -5.901 500 HG3 GLN 62 1HG GLN 62 9.305 -17.253 -5.293 501 HE21 GLN 62 1HE2 GLN 62 8.173 -16.333 -7.775 502 HE22 GLN 62 2HE2 GLN 62 6.515 -16.836 -7.785 503 H LYS 63 HN LYS 63 8.937 -13.113 -3.042 504 HA LYS 63 HA LYS 63 11.073 -11.936 -4.678 505 HB2 LYS 63 2HB LYS 63 8.131 -11.379 -5.116 506 HB3 LYS 63 1HB LYS 63 9.464 -10.630 -5.980 507 HG2 LYS 63 2HG LYS 63 10.090 -12.844 -6.875 508 HG3 LYS 63 1HG LYS 63 8.694 -13.540 -6.059 509 HD2 LYS 63 2HD LYS 63 8.181 -13.147 -8.397 510 HD3 LYS 63 1HD LYS 63 7.212 -12.083 -7.375 511 HE2 LYS 63 2HE LYS 63 8.631 -10.216 -7.869 512 HE3 LYS 63 1HE LYS 63 9.788 -11.250 -8.707 513 HZ1 LYS 63 3HZ LYS 63 8.357 -11.529 -10.499 514 HZ2 LYS 63 1HZ LYS 63 8.161 -9.893 -10.103 515 HZ3 LYS 63 2HZ LYS 63 6.987 -11.027 -9.642 516 HA PRO 64 HA PRO 64 10.340 -9.676 -0.713 517 HB2 PRO 64 2HB PRO 64 12.965 -8.924 -0.448 518 HB3 PRO 64 1HB PRO 64 12.299 -10.437 0.172 519 HG2 PRO 64 2HG PRO 64 13.834 -9.929 -2.342 520 HG3 PRO 64 1HG PRO 64 13.965 -11.280 -1.202 521 HD2 PRO 64 2HD PRO 64 12.651 -11.515 -3.540 522 HD3 PRO 64 1HD PRO 64 12.115 -12.363 -2.073 523 H GLU 65 HN GLU 65 12.500 -8.571 -3.333 524 HA GLU 65 HA GLU 65 12.299 -5.851 -2.719 525 HB2 GLU 65 2HB GLU 65 13.100 -7.329 -5.209 526 HB3 GLU 65 1HB GLU 65 13.220 -5.593 -5.040 527 HG2 GLU 65 2HG GLU 65 14.714 -5.880 -3.122 528 HG3 GLU 65 1HG GLU 65 14.613 -7.627 -3.330 529 H THR 66 HN THR 66 10.359 -7.971 -4.717 530 HA THR 66 HA THR 66 8.881 -5.913 -6.014 531 HB THR 66 HB THR 66 7.923 -8.723 -5.471 532 HG1 THR 66 1HG THR 66 10.049 -7.820 -6.995 533 HG21 THR 66 3HG2 THR 66 7.419 -6.817 -7.764 534 HG22 THR 66 1HG2 THR 66 6.289 -7.167 -6.458 535 HG23 THR 66 2HG2 THR 66 6.744 -8.438 -7.593 536 H ALA 67 HN ALA 67 8.554 -7.676 -2.997 537 HA ALA 67 HA ALA 67 5.976 -6.807 -2.266 538 HB1 ALA 67 1HB ALA 67 7.138 -8.624 -1.098 539 HB2 ALA 67 2HB ALA 67 6.627 -7.365 0.025 540 HB3 ALA 67 3HB ALA 67 8.316 -7.471 -0.472 541 H SER 68 HN SER 68 9.178 -5.390 -1.816 542 HA SER 68 HA SER 68 8.393 -3.151 -0.307 543 HB2 SER 68 2HB SER 68 10.679 -3.302 -2.283 544 HB3 SER 68 1HB SER 68 10.541 -2.215 -0.903 545 HG SER 68 HG SER 68 10.516 -4.156 0.419 546 H ARG 69 HN ARG 69 8.572 -3.721 -3.789 547 HA ARG 69 HA ARG 69 8.040 -1.134 -4.692 548 HB2 ARG 69 2HB ARG 69 7.363 -3.818 -5.898 549 HB3 ARG 69 1HB ARG 69 7.221 -2.300 -6.745 550 HG2 ARG 69 2HG ARG 69 9.631 -1.942 -6.527 551 HG3 ARG 69 1HG ARG 69 9.760 -3.485 -5.680 552 HD2 ARG 69 2HD ARG 69 8.818 -4.605 -7.679 553 HD3 ARG 69 1HD ARG 69 8.829 -3.054 -8.514 554 HE ARG 69 HE ARG 69 11.414 -3.609 -7.519 555 HH11 ARG 69 1HH1 ARG 69 9.169 -4.644 -10.008 556 HH12 ARG 69 2HH1 ARG 69 10.416 -5.195 -11.085 557 HH21 ARG 69 1HH2 ARG 69 13.060 -4.398 -8.926 558 HH22 ARG 69 2HH2 ARG 69 12.609 -5.101 -10.456 559 H LEU 70 HN LEU 70 5.896 -3.762 -3.737 560 HA LEU 70 HA LEU 70 3.485 -2.445 -4.504 561 HB2 LEU 70 2HB LEU 70 3.600 -4.866 -4.345 562 HB3 LEU 70 1HB LEU 70 4.002 -4.765 -2.642 563 HG LEU 70 HG LEU 70 1.755 -3.784 -2.210 564 HD11 LEU 70 1HD1 LEU 70 1.315 -2.840 -4.400 565 HD12 LEU 70 2HD1 LEU 70 0.040 -3.972 -3.950 566 HD13 LEU 70 3HD1 LEU 70 1.278 -4.452 -5.110 567 HD21 LEU 70 3HD2 LEU 70 0.528 -5.867 -2.448 568 HD22 LEU 70 1HD2 LEU 70 2.181 -6.177 -1.917 569 HD23 LEU 70 2HD2 LEU 70 1.727 -6.460 -3.597 570 H ARG 71 HN ARG 71 5.378 -2.654 -1.555 571 HA ARG 71 HA ARG 71 3.357 -1.692 0.179 572 HB2 ARG 71 2HB ARG 71 5.512 -2.950 0.794 573 HB3 ARG 71 1HB ARG 71 6.301 -1.380 0.700 574 HG2 ARG 71 2HG ARG 71 5.804 -1.600 2.951 575 HG3 ARG 71 1HG ARG 71 4.484 -0.600 2.346 576 HD2 ARG 71 2HD ARG 71 4.426 -3.554 2.948 577 HD3 ARG 71 1HD ARG 71 3.560 -2.274 3.793 578 HE ARG 71 HE ARG 71 2.634 -2.094 1.248 579 HH11 ARG 71 1HH1 ARG 71 2.821 -4.693 3.582 580 HH12 ARG 71 2HH1 ARG 71 1.484 -5.567 2.915 581 HH21 ARG 71 1HH2 ARG 71 0.873 -3.251 0.351 582 HH22 ARG 71 2HH2 ARG 71 0.365 -4.739 1.077 583 H GLY 72 HN GLY 72 5.928 -0.100 -1.643 584 HA2 GLY 72 2HA GLY 72 5.777 2.437 -0.450 585 HA3 GLY 72 1HA GLY 72 6.344 2.117 -2.082 586 H ARG 73 HN ARG 73 3.843 0.995 -3.009 587 HA ARG 73 HA ARG 73 2.536 3.369 -3.824 588 HB2 ARG 73 2HB ARG 73 1.562 0.509 -3.966 589 HB3 ARG 73 1HB ARG 73 0.861 1.865 -4.835 590 HG2 ARG 73 2HG ARG 73 2.997 2.156 -6.039 591 HG3 ARG 73 1HG ARG 73 3.627 0.732 -5.206 592 HD2 ARG 73 2HD ARG 73 1.782 -0.597 -6.169 593 HD3 ARG 73 1HD ARG 73 1.254 0.827 -7.061 594 HE ARG 73 HE ARG 73 3.969 0.306 -7.621 595 HH11 ARG 73 1HH1 ARG 73 0.768 -0.928 -8.294 596 HH12 ARG 73 2HH1 ARG 73 1.226 -1.688 -9.783 597 HH21 ARG 73 1HH2 ARG 73 4.589 -0.669 -9.594 598 HH22 ARG 73 2HH2 ARG 73 3.402 -1.544 -10.528 599 H ILE 74 HN ILE 74 1.605 0.793 -1.569 600 HA ILE 74 HA ILE 74 -0.853 1.957 -0.797 601 HB ILE 74 HB ILE 74 0.879 -0.092 0.583 602 HG12 ILE 74 2HG1 ILE 74 -1.620 -0.230 -1.112 603 HG13 ILE 74 1HG1 ILE 74 -0.026 -0.849 -1.520 604 HG21 ILE 74 1HG2 ILE 74 -1.057 -0.590 2.000 605 HG22 ILE 74 2HG2 ILE 74 -1.921 0.774 1.293 606 HG23 ILE 74 3HG2 ILE 74 -0.474 1.054 2.259 607 HD11 ILE 74 3HD1 ILE 74 -1.775 -1.883 0.693 608 HD12 ILE 74 1HD1 ILE 74 -0.208 -2.530 0.209 609 HD13 ILE 74 2HD1 ILE 74 -1.582 -2.623 -0.896 610 H GLU 75 HN GLU 75 2.423 2.229 0.487 611 HA GLU 75 HA GLU 75 1.987 3.620 2.842 612 HB2 GLU 75 2HB GLU 75 4.207 2.902 2.068 613 HB3 GLU 75 1HB GLU 75 4.152 4.095 0.781 614 HG2 GLU 75 2HG GLU 75 3.955 5.842 2.606 615 HG3 GLU 75 1HG GLU 75 4.389 4.556 3.734 616 H SER 76 HN SER 76 2.268 4.887 -0.445 617 HA SER 76 HA SER 76 1.910 7.599 0.198 618 HB2 SER 76 2HB SER 76 1.280 6.191 -2.391 619 HB3 SER 76 1HB SER 76 1.555 7.919 -2.190 620 HG SER 76 HG SER 76 3.393 5.782 -2.038 621 H VAL 77 HN VAL 77 -0.380 5.035 -0.607 622 HA VAL 77 HA VAL 77 -2.681 6.670 -0.827 623 HB VAL 77 HB VAL 77 -2.523 3.767 0.002 624 HG11 VAL 77 1HG1 VAL 77 -4.837 3.635 -0.790 625 HG12 VAL 77 2HG1 VAL 77 -4.828 5.372 -1.097 626 HG13 VAL 77 3HG1 VAL 77 -4.671 4.766 0.553 627 HG21 VAL 77 3HG2 VAL 77 -3.011 3.294 -2.367 628 HG22 VAL 77 1HG2 VAL 77 -1.458 4.099 -2.143 629 HG23 VAL 77 2HG2 VAL 77 -2.850 5.014 -2.721 630 H LEU 78 HN LEU 78 -1.361 4.774 1.875 631 HA LEU 78 HA LEU 78 -3.361 5.417 3.748 632 HB2 LEU 78 2HB LEU 78 -0.472 4.655 4.185 633 HB3 LEU 78 1HB LEU 78 -1.678 4.738 5.455 634 HG LEU 78 HG LEU 78 -1.711 2.845 3.104 635 HD11 LEU 78 1HD1 LEU 78 -0.019 2.286 4.762 636 HD12 LEU 78 2HD1 LEU 78 -1.346 1.125 4.802 637 HD13 LEU 78 3HD1 LEU 78 -1.231 2.373 6.041 638 HD21 LEU 78 3HD2 LEU 78 -3.970 3.485 3.760 639 HD22 LEU 78 1HD2 LEU 78 -3.605 3.088 5.441 640 HD23 LEU 78 2HD2 LEU 78 -3.629 1.816 4.218 641 H ASP 79 HN ASP 79 -0.368 7.022 2.863 642 HA ASP 79 HA ASP 79 -0.331 8.887 4.997 643 HB2 ASP 79 2HB ASP 79 1.665 8.390 3.682 644 HB3 ASP 79 1HB ASP 79 0.900 9.041 2.237 645 H TRP 80 HN TRP 80 -1.456 9.103 1.644 646 HA TRP 80 HA TRP 80 -2.425 11.726 1.695 647 HB2 TRP 80 2HB TRP 80 -2.195 10.586 -0.394 648 HB3 TRP 80 1HB TRP 80 -3.264 9.290 0.121 649 HD1 TRP 80 1HD TRP 80 -3.399 12.998 -0.948 650 HE1 TRP 80 1HE TRP 80 -5.756 13.480 -1.873 651 HE3 TRP 80 3HE TRP 80 -5.609 8.517 0.118 652 HZ2 TRP 80 2HZ TRP 80 -8.226 12.120 -2.119 653 HZ3 TRP 80 3HZ TRP 80 -7.966 8.184 -0.496 654 HH2 TRP 80 2HH TRP 80 -9.248 9.952 -1.592 655 H ALA 81 HN ALA 81 -4.033 8.671 2.467 656 HA ALA 81 HA ALA 81 -6.596 9.698 2.960 657 HB1 ALA 81 1HB ALA 81 -7.005 7.611 4.161 658 HB2 ALA 81 2HB ALA 81 -5.273 7.275 4.179 659 HB3 ALA 81 3HB ALA 81 -6.148 7.318 2.648 660 H THR 82 HN THR 82 -3.764 9.457 5.027 661 HA THR 82 HA THR 82 -5.036 10.042 7.475 662 HB THR 82 HB THR 82 -2.182 10.712 6.713 663 HG1 THR 82 1HG THR 82 -2.350 8.550 6.379 664 HG21 THR 82 3HG2 THR 82 -1.737 10.491 9.099 665 HG22 THR 82 1HG2 THR 82 -3.437 10.140 9.401 666 HG23 THR 82 2HG2 THR 82 -2.957 11.732 8.814 667 H VAL 83 HN VAL 83 -3.517 12.088 5.014 668 HA VAL 83 HA VAL 83 -3.855 14.544 6.397 669 HB VAL 83 HB VAL 83 -3.623 14.088 3.415 670 HG11 VAL 83 1HG1 VAL 83 -4.408 16.328 3.956 671 HG12 VAL 83 2HG1 VAL 83 -2.751 16.385 3.355 672 HG13 VAL 83 3HG1 VAL 83 -3.067 16.544 5.082 673 HG21 VAL 83 3HG2 VAL 83 -1.221 14.500 3.729 674 HG22 VAL 83 1HG2 VAL 83 -1.764 13.050 4.574 675 HG23 VAL 83 2HG2 VAL 83 -1.468 14.537 5.476 676 H ARG 84 HN ARG 84 -5.788 12.774 4.039 677 HA ARG 84 HA ARG 84 -7.730 14.823 3.670 678 HB2 ARG 84 2HB ARG 84 -7.765 11.878 3.033 679 HB3 ARG 84 1HB ARG 84 -9.068 12.977 2.604 680 HG2 ARG 84 2HG ARG 84 -6.212 13.199 1.682 681 HG3 ARG 84 1HG ARG 84 -7.561 12.576 0.728 682 HD2 ARG 84 2HD ARG 84 -7.204 15.378 1.781 683 HD3 ARG 84 1HD ARG 84 -7.156 14.861 0.097 684 HE ARG 84 HE ARG 84 -9.563 14.930 1.798 685 HH11 ARG 84 1HH1 ARG 84 -8.048 14.937 -1.363 686 HH12 ARG 84 2HH1 ARG 84 -9.546 15.181 -2.217 687 HH21 ARG 84 1HH2 ARG 84 -11.521 15.243 0.697 688 HH22 ARG 84 2HH2 ARG 84 -11.530 15.347 -1.045 689 H GLY 85 HN GLY 85 -7.366 12.267 6.000 690 HA2 GLY 85 2HA GLY 85 -8.463 12.432 8.113 691 HA3 GLY 85 1HA GLY 85 -9.792 13.268 7.324 692 H TYR 86 HN TYR 86 -8.905 10.697 5.416 693 HA TYR 86 HA TYR 86 -11.280 9.242 6.030 694 HB2 TYR 86 2HB TYR 86 -8.951 8.584 4.220 695 HB3 TYR 86 1HB TYR 86 -10.398 7.590 4.354 696 HD1 TYR 86 2HD TYR 86 -12.647 9.151 4.160 697 HD2 TYR 86 1HD TYR 86 -8.877 9.927 2.357 698 HE1 TYR 86 2HE TYR 86 -13.755 10.527 2.448 699 HE2 TYR 86 1HE TYR 86 -9.971 11.305 0.643 700 HH TYR 86 HH TYR 86 -13.209 12.342 0.906 701 H ARG 87 HN ARG 87 -7.968 9.049 6.977 702 HA ARG 87 HA ARG 87 -8.692 7.080 8.985 703 HB2 ARG 87 2HB ARG 87 -6.771 5.652 8.552 704 HB3 ARG 87 1HB ARG 87 -7.781 5.727 7.115 705 HG2 ARG 87 2HG ARG 87 -6.253 7.234 6.047 706 HG3 ARG 87 1HG ARG 87 -5.303 7.388 7.525 707 HD2 ARG 87 2HD ARG 87 -5.680 4.849 5.942 708 HD3 ARG 87 1HD ARG 87 -4.252 5.883 5.894 709 HE ARG 87 HE ARG 87 -5.088 4.144 8.091 710 HH11 ARG 87 1HH1 ARG 87 -2.790 6.441 6.784 711 HH12 ARG 87 2HH1 ARG 87 -1.572 6.092 7.966 712 HH21 ARG 87 1HH2 ARG 87 -3.468 3.675 9.660 713 HH22 ARG 87 2HH2 ARG 87 -1.954 4.533 9.592 714 H GLU 88 HN GLU 88 -7.329 7.189 10.822 715 HA GLU 88 HA GLU 88 -5.294 9.302 10.741 716 HB2 GLU 88 2HB GLU 88 -7.382 8.904 12.887 717 HB3 GLU 88 1HB GLU 88 -6.000 9.982 13.034 718 HG2 GLU 88 2HG GLU 88 -6.806 11.244 11.081 719 HG3 GLU 88 1HG GLU 88 -8.219 10.193 11.010 720 H GLY 89 HN GLY 89 -3.755 9.173 12.550 721 HA2 GLY 89 2HA GLY 89 -2.940 7.545 14.315 722 HA3 GLY 89 1HA GLY 89 -3.140 6.337 13.050 723 H ASP 90 HN ASP 90 -1.283 5.782 12.166 724 HA ASP 90 HA ASP 90 0.554 7.911 11.320 725 HB2 ASP 90 2HB ASP 90 1.268 6.663 13.517 726 HB3 ASP 90 1HB ASP 90 1.671 5.342 12.427 727 H ASN 91 HN ASN 91 2.458 6.232 10.132 728 HA ASN 91 HA ASN 91 0.811 4.785 8.163 729 HB2 ASN 91 2HB ASN 91 2.798 6.834 7.779 730 HB3 ASN 91 1HB ASN 91 3.315 5.343 6.996 731 HD21 ASN 91 1HD2 ASN 91 3.022 6.097 4.935 732 HD22 ASN 91 2HD2 ASN 91 1.467 6.416 4.256 733 HA PRO 92 HA PRO 92 3.323 1.619 10.326 734 HB2 PRO 92 2HB PRO 92 1.591 -0.422 9.843 735 HB3 PRO 92 1HB PRO 92 1.405 0.711 11.185 736 HG2 PRO 92 2HG PRO 92 0.053 0.701 8.513 737 HG3 PRO 92 1HG PRO 92 -0.642 0.997 10.118 738 HD2 PRO 92 2HD PRO 92 -0.034 3.003 8.423 739 HD3 PRO 92 1HD PRO 92 0.117 3.177 10.183 740 H ALA 93 HN ALA 93 2.458 2.066 7.092 741 HA ALA 93 HA ALA 93 3.858 -0.321 6.158 742 HB1 ALA 93 1HB ALA 93 3.138 0.375 3.923 743 HB2 ALA 93 2HB ALA 93 2.448 1.849 4.605 744 HB3 ALA 93 3HB ALA 93 1.774 0.276 5.037 745 H ARG 94 HN ARG 94 4.769 2.532 7.305 746 HA ARG 94 HA ARG 94 6.620 3.353 5.219 747 HB2 ARG 94 2HB ARG 94 5.249 4.911 6.717 748 HB3 ARG 94 1HB ARG 94 6.363 4.482 8.006 749 HG2 ARG 94 2HG ARG 94 8.217 5.407 6.721 750 HG3 ARG 94 1HG ARG 94 7.104 5.817 5.408 751 HD2 ARG 94 2HD ARG 94 5.810 7.187 7.055 752 HD3 ARG 94 1HD ARG 94 7.099 6.899 8.221 753 HE ARG 94 HE ARG 94 8.449 7.943 6.150 754 HH11 ARG 94 1HH1 ARG 94 5.558 8.953 7.845 755 HH12 ARG 94 2HH1 ARG 94 5.785 10.641 7.504 756 HH21 ARG 94 1HH2 ARG 94 8.766 10.169 5.696 757 HH22 ARG 94 2HH2 ARG 94 7.631 11.338 6.299 758 H TRP 95 HN TRP 95 6.720 2.157 8.553 759 HA TRP 95 HA TRP 95 8.261 1.057 9.767 760 HB2 TRP 95 2HB TRP 95 8.960 0.273 7.004 761 HB3 TRP 95 1HB TRP 95 10.203 0.006 8.221 762 HD1 TRP 95 1HD TRP 95 9.081 -1.321 10.550 763 HE1 TRP 95 1HE TRP 95 7.667 -3.472 10.501 764 HE3 TRP 95 3HE TRP 95 7.473 -1.111 5.704 765 HZ2 TRP 95 2HZ TRP 95 6.073 -4.888 8.649 766 HZ3 TRP 95 3HZ TRP 95 6.006 -2.904 4.869 767 HH2 TRP 95 2HH TRP 95 5.322 -4.754 6.315 768 H ARG 96 HN ARG 96 10.767 0.785 10.024 769 HA ARG 96 HA ARG 96 12.057 3.393 9.613 770 HB2 ARG 96 2HB ARG 96 13.233 2.626 11.873 771 HB3 ARG 96 1HB ARG 96 11.726 3.529 11.875 772 HG2 ARG 96 2HG ARG 96 10.485 1.426 12.109 773 HG3 ARG 96 1HG ARG 96 12.010 0.539 12.152 774 HD2 ARG 96 2HD ARG 96 11.527 2.774 14.076 775 HD3 ARG 96 1HD ARG 96 10.797 1.195 14.369 776 HE ARG 96 HE ARG 96 13.210 0.364 14.133 777 HH11 ARG 96 1HH1 ARG 96 12.403 3.538 15.369 778 HH12 ARG 96 2HH1 ARG 96 13.710 3.563 16.519 779 HH21 ARG 96 1HH2 ARG 96 14.925 0.381 15.627 780 HH22 ARG 96 2HH2 ARG 96 15.150 1.762 16.666 781 H GLY 97 HN GLY 97 12.174 0.939 8.057 782 HA2 GLY 97 2HA GLY 97 14.415 0.491 6.972 783 HA3 GLY 97 1HA GLY 97 14.931 0.028 8.589 784 H TYR 98 HN TYR 98 13.020 -1.473 9.570 785 HA TYR 98 HA TYR 98 12.111 -3.530 9.663 786 HB2 TYR 98 2HB TYR 98 10.627 -2.722 7.886 787 HB3 TYR 98 1HB TYR 98 11.799 -3.216 6.672 788 HD1 TYR 98 1HD TYR 98 9.981 -4.732 9.575 789 HD2 TYR 98 2HD TYR 98 11.373 -5.202 5.585 790 HE1 TYR 98 1HE TYR 98 8.928 -6.948 9.474 791 HE2 TYR 98 2HE TYR 98 10.325 -7.425 5.476 792 HH TYR 98 HH TYR 98 9.562 -9.182 6.976 793 H LEU 99 HN LEU 99 13.602 -3.914 6.466 794 HA LEU 99 HA LEU 99 15.036 -6.238 7.427 795 HB2 LEU 99 2HB LEU 99 14.863 -4.941 4.710 796 HB3 LEU 99 1HB LEU 99 15.840 -6.357 5.047 797 HG LEU 99 HG LEU 99 12.838 -6.194 5.306 798 HD11 LEU 99 1HD1 LEU 99 12.798 -7.663 3.369 799 HD12 LEU 99 2HD1 LEU 99 14.558 -7.608 3.274 800 HD13 LEU 99 3HD1 LEU 99 13.615 -6.146 2.985 801 HD21 LEU 99 3HD2 LEU 99 13.804 -7.739 6.926 802 HD22 LEU 99 1HD2 LEU 99 14.713 -8.534 5.641 803 HD23 LEU 99 2HD2 LEU 99 12.952 -8.615 5.654 804 H GLU 100 HN GLU 100 15.893 -3.199 5.789 805 HA GLU 100 HA GLU 100 17.808 -1.989 5.683 806 HB2 GLU 100 2HB GLU 100 17.200 -1.706 8.100 807 HB3 GLU 100 1HB GLU 100 18.280 -3.036 8.483 808 HG2 GLU 100 2HG GLU 100 20.187 -1.805 7.795 809 HG3 GLU 100 1HG GLU 100 19.191 -0.538 7.084 810 H HIS 101 HN HIS 101 17.922 -4.516 4.535 811 HA HIS 101 HA HIS 101 20.298 -5.906 5.345 812 HB2 HIS 101 2HB HIS 101 18.430 -6.159 3.002 813 HB3 HIS 101 1HB HIS 101 19.952 -7.041 3.035 814 HD1 HIS 101 1HD HIS 101 18.714 -9.304 3.120 815 HD2 HIS 101 2HD HIS 101 17.903 -6.787 6.339 816 HE1 HIS 101 1HE HIS 101 17.519 -10.729 4.822 817 HE2 HIS 101 2HE HIS 101 17.146 -9.220 6.806 818 H HIS 102 HN HIS 102 22.017 -4.570 5.281 819 HA HIS 102 HA HIS 102 22.764 -3.477 2.659 820 HB2 HIS 102 2HB HIS 102 23.755 -2.857 5.449 821 HB3 HIS 102 1HB HIS 102 24.571 -2.284 3.997 822 HD1 HIS 102 1HD HIS 102 22.326 -1.102 6.416 823 HD2 HIS 102 2HD HIS 102 22.452 -0.880 2.267 824 HE1 HIS 102 1HE HIS 102 20.847 0.831 5.796 825 HE2 HIS 102 2HE HIS 102 21.036 1.029 3.288 826 H HIS 103 HN HIS 103 23.849 -4.890 1.497 827 HA HIS 103 HA HIS 103 26.075 -6.314 2.757 828 HB2 HIS 103 2HB HIS 103 23.908 -7.722 2.594 829 HB3 HIS 103 1HB HIS 103 24.233 -7.756 0.865 830 HD1 HIS 103 1HD HIS 103 25.264 -9.224 4.082 831 HD2 HIS 103 2HD HIS 103 26.600 -9.187 0.142 832 HE1 HIS 103 1HE HIS 103 26.942 -11.097 3.914 833 HE2 HIS 103 2HE HIS 103 27.585 -11.171 1.479 834 H HIS 104 HN HIS 104 27.849 -6.269 1.540 835 HA HIS 104 HA HIS 104 27.564 -5.292 -1.224 836 HB2 HIS 104 2HB HIS 104 29.806 -4.951 0.775 837 HB3 HIS 104 1HB HIS 104 29.972 -4.547 -0.928 838 HD1 HIS 104 1HD HIS 104 29.960 -2.077 -1.060 839 HD2 HIS 104 2HD HIS 104 27.090 -3.504 1.594 840 HE1 HIS 104 1HE HIS 104 28.686 -0.051 -0.280 841 HE2 HIS 104 2HE HIS 104 26.843 -0.959 1.177 842 H HIS 105 HN HIS 105 28.083 -6.627 -2.796 843 HA HIS 105 HA HIS 105 28.968 -9.274 -2.314 844 HB2 HIS 105 2HB HIS 105 28.656 -7.665 -4.845 845 HB3 HIS 105 1HB HIS 105 29.215 -9.333 -4.855 846 HD1 HIS 105 1HD HIS 105 26.232 -7.429 -5.225 847 HD2 HIS 105 2HD HIS 105 27.192 -11.068 -3.456 848 HE1 HIS 105 1HE HIS 105 24.065 -8.693 -5.050 849 HE2 HIS 105 2HE HIS 105 24.651 -10.851 -3.879 850 H HIS 106 HN HIS 106 30.874 -10.310 -2.960 851 HA HIS 106 HA HIS 106 33.106 -8.679 -3.866 852 HB2 HIS 106 2HB HIS 106 32.871 -9.673 -1.168 853 HB3 HIS 106 1HB HIS 106 34.255 -10.409 -1.974 854 HD1 HIS 106 1HD HIS 106 33.947 -7.955 0.283 855 HD2 HIS 106 2HD HIS 106 35.354 -7.830 -3.629 856 HE1 HIS 106 1HE HIS 106 35.430 -5.930 0.156 857 HE2 HIS 106 2HE HIS 106 36.092 -5.756 -2.268 Start of MODEL 7 1 H1 MET 1 H1 MET 1 -15.982 3.270 5.539 2 H2 MET 1 H2 MET 1 -14.730 2.433 6.317 3 H3 MET 1 H3 MET 1 -15.875 1.582 5.402 4 HA MET 1 HA MET 1 -15.112 2.577 3.381 5 HB2 MET 1 2HB MET 1 -14.429 4.743 4.341 6 HB3 MET 1 1HB MET 1 -13.078 3.957 5.147 7 HG2 MET 1 2HG MET 1 -12.207 5.004 3.220 8 HG3 MET 1 1HG MET 1 -12.246 3.278 2.884 9 HE1 MET 1 2HE MET 1 -15.298 6.298 1.201 10 HE2 MET 1 3HE MET 1 -13.949 6.749 2.245 11 HE3 MET 1 1HE MET 1 -15.281 5.791 2.891 12 H THR 2 HN THR 2 -14.078 0.999 2.332 13 HA THR 2 HA THR 2 -12.381 -0.793 3.875 14 HB THR 2 HB THR 2 -12.413 -2.239 1.873 15 HG1 THR 2 1HG THR 2 -14.330 -0.570 0.662 16 HG21 THR 2 3HG2 THR 2 -14.801 -2.787 1.892 17 HG22 THR 2 1HG2 THR 2 -15.152 -1.240 2.663 18 HG23 THR 2 2HG2 THR 2 -14.211 -2.459 3.523 19 H PHE 3 HN PHE 3 -10.311 -1.537 2.932 20 HA PHE 3 HA PHE 3 -8.650 0.676 2.350 21 HB2 PHE 3 2HB PHE 3 -7.798 -1.332 3.484 22 HB3 PHE 3 1HB PHE 3 -8.061 -2.277 2.021 23 HD1 PHE 3 2HD PHE 3 -6.200 0.663 3.320 24 HD2 PHE 3 1HD PHE 3 -6.379 -2.455 0.430 25 HE1 PHE 3 2HE PHE 3 -3.945 1.261 2.540 26 HE2 PHE 3 1HE PHE 3 -4.127 -1.859 -0.360 27 HZ PHE 3 HZ PHE 3 -2.904 0.003 0.698 28 H SER 4 HN SER 4 -10.140 -1.817 0.357 29 HA SER 4 HA SER 4 -8.863 -1.225 -2.071 30 HB2 SER 4 2HB SER 4 -11.678 -2.253 -1.628 31 HB3 SER 4 1HB SER 4 -10.772 -2.357 -3.135 32 HG SER 4 HG SER 4 -9.156 -3.451 -1.562 33 H GLU 5 HN GLU 5 -11.871 0.036 -0.665 34 HA GLU 5 HA GLU 5 -12.568 1.762 -2.767 35 HB2 GLU 5 2HB GLU 5 -13.188 1.679 0.165 36 HB3 GLU 5 1HB GLU 5 -13.762 3.004 -0.830 37 HG2 GLU 5 2HG GLU 5 -15.036 1.522 -2.188 38 HG3 GLU 5 1HG GLU 5 -14.328 0.113 -1.399 39 H CYS 6 HN CYS 6 -10.752 2.342 0.206 40 HA CYS 6 HA CYS 6 -10.418 5.113 -0.175 41 HB2 CYS 6 2HB CYS 6 -10.111 3.696 1.942 42 HB3 CYS 6 1HB CYS 6 -8.496 3.371 1.341 43 HG CYS 6 HG CYS 6 -8.029 6.264 1.130 44 H ALA 7 HN ALA 7 -8.342 2.349 -0.928 45 HA ALA 7 HA ALA 7 -6.176 3.792 -1.987 46 HB1 ALA 7 1HB ALA 7 -6.068 1.397 -1.445 47 HB2 ALA 7 2HB ALA 7 -5.524 1.728 -3.089 48 HB3 ALA 7 3HB ALA 7 -7.127 1.049 -2.811 49 H ALA 8 HN ALA 8 -9.108 2.531 -3.529 50 HA ALA 8 HA ALA 8 -8.511 3.276 -6.164 51 HB1 ALA 8 1HB ALA 8 -11.216 3.090 -4.833 52 HB2 ALA 8 2HB ALA 8 -10.346 1.763 -5.607 53 HB3 ALA 8 3HB ALA 8 -10.920 3.124 -6.571 54 H LEU 9 HN LEU 9 -9.974 5.073 -3.506 55 HA LEU 9 HA LEU 9 -10.699 7.388 -4.908 56 HB2 LEU 9 2HB LEU 9 -9.764 7.099 -2.051 57 HB3 LEU 9 1HB LEU 9 -10.504 8.539 -2.712 58 HG LEU 9 HG LEU 9 -11.868 5.854 -2.542 59 HD11 LEU 9 1HD1 LEU 9 -12.113 8.289 -0.784 60 HD12 LEU 9 2HD1 LEU 9 -11.450 6.722 -0.323 61 HD13 LEU 9 3HD1 LEU 9 -13.163 6.875 -0.718 62 HD21 LEU 9 3HD2 LEU 9 -12.928 8.600 -3.202 63 HD22 LEU 9 1HD2 LEU 9 -13.890 7.131 -3.039 64 HD23 LEU 9 2HD2 LEU 9 -12.708 7.271 -4.341 65 H TYR 10 HN TYR 10 -7.690 6.605 -3.184 66 HA TYR 10 HA TYR 10 -6.318 8.984 -3.680 67 HB2 TYR 10 2HB TYR 10 -5.451 7.356 -2.095 68 HB3 TYR 10 1HB TYR 10 -5.251 6.167 -3.375 69 HD1 TYR 10 2HD TYR 10 -3.914 9.280 -1.938 70 HD2 TYR 10 1HD TYR 10 -3.371 6.254 -4.877 71 HE1 TYR 10 2HE TYR 10 -1.634 10.099 -2.361 72 HE2 TYR 10 1HE TYR 10 -1.093 7.062 -5.302 73 HH TYR 10 HH TYR 10 0.568 9.030 -3.286 74 H ILE 11 HN ILE 11 -6.358 5.964 -5.515 75 HA ILE 11 HA ILE 11 -4.517 6.812 -7.485 76 HB ILE 11 HB ILE 11 -6.602 4.632 -7.654 77 HG12 ILE 11 2HG1 ILE 11 -3.660 4.482 -6.937 78 HG13 ILE 11 1HG1 ILE 11 -4.982 4.409 -5.778 79 HG21 ILE 11 1HG2 ILE 11 -5.815 5.283 -9.865 80 HG22 ILE 11 2HG2 ILE 11 -5.186 3.694 -9.432 81 HG23 ILE 11 3HG2 ILE 11 -4.141 5.113 -9.338 82 HD11 ILE 11 3HD1 ILE 11 -4.111 2.198 -6.278 83 HD12 ILE 11 1HD1 ILE 11 -4.476 2.434 -7.987 84 HD13 ILE 11 2HD1 ILE 11 -5.787 2.356 -6.809 85 H LYS 12 HN LYS 12 -8.081 6.635 -7.519 86 HA LYS 12 HA LYS 12 -8.366 7.472 -10.195 87 HB2 LYS 12 2HB LYS 12 -10.153 6.320 -9.022 88 HB3 LYS 12 1HB LYS 12 -10.308 7.655 -7.887 89 HG2 LYS 12 2HG LYS 12 -11.170 9.090 -9.568 90 HG3 LYS 12 1HG LYS 12 -10.771 7.940 -10.844 91 HD2 LYS 12 2HD LYS 12 -13.170 7.938 -10.299 92 HD3 LYS 12 1HD LYS 12 -12.412 6.377 -9.991 93 HE2 LYS 12 2HE LYS 12 -12.287 6.889 -7.611 94 HE3 LYS 12 1HE LYS 12 -12.990 8.479 -7.908 95 HZ1 LYS 12 3HZ LYS 12 -14.576 6.750 -7.096 96 HZ2 LYS 12 1HZ LYS 12 -14.376 5.940 -8.573 97 HZ3 LYS 12 2HZ LYS 12 -15.035 7.504 -8.546 98 H ALA 13 HN ALA 13 -8.112 9.275 -7.189 99 HA ALA 13 HA ALA 13 -8.874 11.786 -8.299 100 HB1 ALA 13 1HB ALA 13 -9.016 11.325 -5.899 101 HB2 ALA 13 2HB ALA 13 -8.027 12.747 -6.229 102 HB3 ALA 13 3HB ALA 13 -7.256 11.215 -5.819 103 H HIS 14 HN HIS 14 -6.054 9.916 -8.590 104 HA HIS 14 HA HIS 14 -4.486 12.295 -9.364 105 HB2 HIS 14 2HB HIS 14 -3.622 9.685 -8.140 106 HB3 HIS 14 1HB HIS 14 -2.485 10.725 -8.987 107 HD1 HIS 14 1HD HIS 14 -4.358 10.375 -5.804 108 HD2 HIS 14 2HD HIS 14 -1.894 13.155 -7.671 109 HE1 HIS 14 1HE HIS 14 -3.689 12.008 -4.006 110 HE2 HIS 14 2HE HIS 14 -2.045 13.570 -5.123 111 H ARG 15 HN ARG 15 -6.200 9.843 -10.679 112 HA ARG 15 HA ARG 15 -4.295 8.687 -12.436 113 HB2 ARG 15 2HB ARG 15 -6.092 7.508 -13.440 114 HB3 ARG 15 1HB ARG 15 -6.449 7.593 -11.724 115 HG2 ARG 15 2HG ARG 15 -8.058 9.353 -12.115 116 HG3 ARG 15 1HG ARG 15 -7.642 9.383 -13.829 117 HD2 ARG 15 2HD ARG 15 -8.365 7.002 -13.979 118 HD3 ARG 15 1HD ARG 15 -8.922 7.115 -12.309 119 HE ARG 15 HE ARG 15 -10.134 9.206 -13.618 120 HH11 ARG 15 1HH1 ARG 15 -10.105 5.705 -13.968 121 HH12 ARG 15 2HH1 ARG 15 -11.685 5.655 -14.695 122 HH21 ARG 15 1HH2 ARG 15 -12.213 9.107 -14.554 123 HH22 ARG 15 2HH2 ARG 15 -12.874 7.568 -15.020 124 H SER 16 HN SER 16 -6.314 11.516 -12.610 125 HA SER 16 HA SER 16 -6.288 11.863 -15.406 126 HB2 SER 16 2HB SER 16 -6.613 13.880 -13.176 127 HB3 SER 16 1HB SER 16 -6.995 14.160 -14.869 128 HG SER 16 HG SER 16 -8.878 13.368 -14.419 129 H SER 17 HN SER 17 -3.958 12.481 -12.924 130 HA SER 17 HA SER 17 -2.379 14.304 -14.511 131 HB2 SER 17 2HB SER 17 -2.441 14.360 -12.002 132 HB3 SER 17 1HB SER 17 -1.597 12.815 -11.992 133 HG SER 17 HG SER 17 -0.169 14.327 -13.552 134 H TRP 18 HN TRP 18 -2.845 10.967 -14.374 135 HA TRP 18 HA TRP 18 -0.224 10.428 -15.601 136 HB2 TRP 18 2HB TRP 18 -2.069 8.454 -14.235 137 HB3 TRP 18 1HB TRP 18 -0.459 8.125 -14.857 138 HD1 TRP 18 1HD TRP 18 1.045 10.627 -13.512 139 HE1 TRP 18 1HE TRP 18 1.458 10.592 -10.958 140 HE3 TRP 18 3HE TRP 18 -2.542 7.247 -12.158 141 HZ2 TRP 18 2HZ TRP 18 0.403 9.293 -8.694 142 HZ3 TRP 18 3HZ TRP 18 -2.774 6.657 -9.780 143 HH2 TRP 18 2HH TRP 18 -1.329 7.660 -8.083 144 H LYS 19 HN LYS 19 -2.146 11.486 -17.267 145 HA LYS 19 HA LYS 19 -3.140 11.159 -19.196 146 HB2 LYS 19 2HB LYS 19 -1.883 8.474 -18.999 147 HB3 LYS 19 1HB LYS 19 -2.953 8.900 -20.332 148 HG2 LYS 19 2HG LYS 19 -1.506 10.928 -20.696 149 HG3 LYS 19 1HG LYS 19 -0.365 10.213 -19.557 150 HD2 LYS 19 2HD LYS 19 -0.186 8.240 -20.976 151 HD3 LYS 19 1HD LYS 19 -1.335 8.949 -22.113 152 HE2 LYS 19 2HE LYS 19 1.354 10.097 -21.370 153 HE3 LYS 19 1HE LYS 19 0.983 9.232 -22.861 154 HZ1 LYS 19 3HZ LYS 19 -0.605 10.966 -23.428 155 HZ2 LYS 19 1HZ LYS 19 0.943 11.617 -23.197 156 HZ3 LYS 19 2HZ LYS 19 -0.243 11.801 -21.997 157 H ASN 20 HN ASN 20 -5.966 9.503 -19.509 158 HA ASN 20 HA ASN 20 -5.397 7.140 -18.290 159 HB2 ASN 20 2HB ASN 20 -7.165 7.750 -19.994 160 HB3 ASN 20 1HB ASN 20 -5.967 7.331 -21.211 161 HD21 ASN 20 1HD2 ASN 20 -8.521 6.117 -20.647 162 HD22 ASN 20 2HD2 ASN 20 -8.212 4.447 -20.282 163 H THR 21 HN THR 21 -3.241 6.884 -17.847 164 HA THR 21 HA THR 21 -1.945 5.332 -20.012 165 HB THR 21 HB THR 21 -0.082 4.947 -18.372 166 HG1 THR 21 1HG THR 21 -1.343 7.031 -16.889 167 HG21 THR 21 3HG2 THR 21 0.181 6.623 -20.096 168 HG22 THR 21 1HG2 THR 21 0.961 7.147 -18.603 169 HG23 THR 21 2HG2 THR 21 -0.597 7.828 -19.071 170 H LYS 22 HN LYS 22 -0.873 3.233 -18.891 171 HA LYS 22 HA LYS 22 -3.006 1.885 -17.439 172 HB2 LYS 22 2HB LYS 22 -0.487 0.951 -18.774 173 HB3 LYS 22 1HB LYS 22 -1.328 -0.081 -17.625 174 HG2 LYS 22 2HG LYS 22 -3.378 0.172 -19.015 175 HG3 LYS 22 1HG LYS 22 -2.395 1.016 -20.211 176 HD2 LYS 22 2HD LYS 22 -2.660 -1.347 -20.781 177 HD3 LYS 22 1HD LYS 22 -0.973 -0.951 -20.453 178 HE2 LYS 22 2HE LYS 22 -1.482 -3.051 -19.411 179 HE3 LYS 22 1HE LYS 22 -1.266 -1.841 -18.151 180 HZ1 LYS 22 3HZ LYS 22 -3.194 -3.368 -17.840 181 HZ2 LYS 22 1HZ LYS 22 -3.926 -2.655 -19.191 182 HZ3 LYS 22 2HZ LYS 22 -3.603 -1.727 -17.810 183 H HIS 23 HN HIS 23 -0.725 3.937 -16.502 184 HA HIS 23 HA HIS 23 0.642 2.535 -14.438 185 HB2 HIS 23 2HB HIS 23 0.113 5.468 -14.924 186 HB3 HIS 23 1HB HIS 23 0.926 4.914 -13.466 187 HD1 HIS 23 1HD HIS 23 3.368 4.965 -13.639 188 HD2 HIS 23 2HD HIS 23 1.580 4.381 -17.347 189 HE1 HIS 23 1HE HIS 23 5.253 4.914 -15.301 190 HE2 HIS 23 2HE HIS 23 4.122 4.796 -17.555 191 H ALA 24 HN ALA 24 -2.170 4.730 -14.330 192 HA ALA 24 HA ALA 24 -2.787 4.322 -11.621 193 HB1 ALA 24 1HB ALA 24 -3.751 6.149 -12.918 194 HB2 ALA 24 2HB ALA 24 -5.022 5.166 -12.192 195 HB3 ALA 24 3HB ALA 24 -4.642 4.994 -13.907 196 H ASP 25 HN ASP 25 -3.627 2.579 -14.523 197 HA ASP 25 HA ASP 25 -5.499 0.783 -13.433 198 HB2 ASP 25 2HB ASP 25 -5.189 1.173 -15.854 199 HB3 ASP 25 1HB ASP 25 -3.607 0.403 -15.767 200 H GLN 26 HN GLN 26 -2.009 0.436 -14.053 201 HA GLN 26 HA GLN 26 -1.705 -2.110 -12.937 202 HB2 GLN 26 2HB GLN 26 0.177 0.167 -13.467 203 HB3 GLN 26 1HB GLN 26 0.740 -1.329 -12.754 204 HG2 GLN 26 2HG GLN 26 -0.655 -1.063 -15.401 205 HG3 GLN 26 1HG GLN 26 1.075 -1.280 -15.167 206 HE21 GLN 26 1HE2 GLN 26 1.860 -3.291 -14.587 207 HE22 GLN 26 2HE2 GLN 26 0.891 -4.720 -14.646 208 H TRP 27 HN TRP 27 -1.402 1.109 -11.475 209 HA TRP 27 HA TRP 27 -0.600 0.392 -8.910 210 HB2 TRP 27 2HB TRP 27 -2.183 2.621 -10.076 211 HB3 TRP 27 1HB TRP 27 -2.329 2.379 -8.342 212 HD1 TRP 27 1HD TRP 27 0.631 2.697 -10.866 213 HE1 TRP 27 1HE TRP 27 2.437 4.158 -9.755 214 HE3 TRP 27 3HE TRP 27 -1.634 3.506 -6.354 215 HZ2 TRP 27 2HZ TRP 27 2.846 5.478 -7.291 216 HZ3 TRP 27 3HZ TRP 27 -0.469 4.876 -4.675 217 HH2 TRP 27 2HH TRP 27 1.727 5.842 -5.132 218 H THR 28 HN THR 28 -3.851 0.540 -10.293 219 HA THR 28 HA THR 28 -5.201 -0.288 -7.946 220 HB THR 28 HB THR 28 -6.171 -0.586 -10.792 221 HG1 THR 28 1HG THR 28 -5.421 1.601 -10.143 222 HG21 THR 28 3HG2 THR 28 -7.661 -0.232 -8.190 223 HG22 THR 28 1HG2 THR 28 -7.534 -1.730 -9.112 224 HG23 THR 28 2HG2 THR 28 -8.388 -0.346 -9.793 225 H ASN 29 HN ASN 29 -4.260 -2.045 -10.908 226 HA ASN 29 HA ASN 29 -5.367 -4.506 -10.315 227 HB2 ASN 29 2HB ASN 29 -2.883 -3.794 -11.873 228 HB3 ASN 29 1HB ASN 29 -3.575 -5.401 -11.831 229 HD21 ASN 29 1HD2 ASN 29 -3.173 -3.624 -14.084 230 HD22 ASN 29 2HD2 ASN 29 -4.729 -3.350 -14.788 231 H THR 30 HN THR 30 -2.133 -3.267 -9.506 232 HA THR 30 HA THR 30 -1.143 -5.685 -8.454 233 HB THR 30 HB THR 30 -0.269 -2.891 -7.707 234 HG1 THR 30 1HG THR 30 -0.099 -3.050 -9.920 235 HG21 THR 30 3HG2 THR 30 1.893 -3.934 -7.261 236 HG22 THR 30 1HG2 THR 30 1.233 -5.511 -7.685 237 HG23 THR 30 2HG2 THR 30 0.635 -4.659 -6.259 238 H ILE 31 HN ILE 31 -2.476 -2.821 -6.776 239 HA ILE 31 HA ILE 31 -2.235 -3.920 -4.183 240 HB ILE 31 HB ILE 31 -4.123 -1.761 -5.149 241 HG12 ILE 31 2HG1 ILE 31 -1.398 -1.549 -3.841 242 HG13 ILE 31 1HG1 ILE 31 -1.734 -1.259 -5.545 243 HG21 ILE 31 1HG2 ILE 31 -4.816 -2.749 -3.008 244 HG22 ILE 31 2HG2 ILE 31 -4.278 -1.081 -2.817 245 HG23 ILE 31 3HG2 ILE 31 -3.219 -2.408 -2.341 246 HD11 ILE 31 3HD1 ILE 31 -1.522 0.822 -4.308 247 HD12 ILE 31 1HD1 ILE 31 -2.838 0.331 -3.240 248 HD13 ILE 31 2HD1 ILE 31 -3.153 0.630 -4.949 249 H LYS 32 HN LYS 32 -4.871 -3.827 -6.507 250 HA LYS 32 HA LYS 32 -6.910 -4.952 -4.963 251 HB2 LYS 32 2HB LYS 32 -7.199 -3.880 -7.181 252 HB3 LYS 32 1HB LYS 32 -6.411 -5.255 -7.932 253 HG2 LYS 32 2HG LYS 32 -8.221 -6.709 -7.177 254 HG3 LYS 32 1HG LYS 32 -9.020 -5.325 -6.428 255 HD2 LYS 32 2HD LYS 32 -10.002 -5.816 -8.605 256 HD3 LYS 32 1HD LYS 32 -9.198 -4.246 -8.621 257 HE2 LYS 32 2HE LYS 32 -7.265 -5.223 -9.725 258 HE3 LYS 32 1HE LYS 32 -8.013 -6.819 -9.661 259 HZ1 LYS 32 3HZ LYS 32 -9.026 -4.465 -11.175 260 HZ2 LYS 32 1HZ LYS 32 -9.801 -5.972 -11.077 261 HZ3 LYS 32 2HZ LYS 32 -8.290 -5.844 -11.836 262 H THR 33 HN THR 33 -4.270 -6.427 -6.732 263 HA THR 33 HA THR 33 -5.360 -9.086 -6.534 264 HB THR 33 HB THR 33 -2.611 -8.160 -7.404 265 HG1 THR 33 1HG THR 33 -4.139 -7.422 -8.844 266 HG21 THR 33 3HG2 THR 33 -2.608 -10.513 -6.695 267 HG22 THR 33 1HG2 THR 33 -2.407 -10.369 -8.442 268 HG23 THR 33 2HG2 THR 33 -3.968 -10.838 -7.769 269 H TYR 34 HN TYR 34 -2.562 -7.416 -5.069 270 HA TYR 34 HA TYR 34 -1.893 -9.744 -3.525 271 HB2 TYR 34 2HB TYR 34 -0.750 -6.964 -3.643 272 HB3 TYR 34 1HB TYR 34 -0.160 -8.176 -2.511 273 HD1 TYR 34 2HD TYR 34 0.947 -10.223 -3.366 274 HD2 TYR 34 1HD TYR 34 -0.180 -7.052 -5.963 275 HE1 TYR 34 2HE TYR 34 2.432 -11.127 -5.102 276 HE2 TYR 34 1HE TYR 34 1.303 -7.948 -7.707 277 HH TYR 34 HH TYR 34 2.719 -11.060 -7.494 278 H CYS 35 HN CYS 35 -3.312 -6.576 -2.768 279 HA CYS 35 HA CYS 35 -3.320 -7.311 0.061 280 HB2 CYS 35 2HB CYS 35 -4.004 -4.673 -1.248 281 HB3 CYS 35 1HB CYS 35 -3.834 -4.962 0.482 282 HG CYS 35 HG CYS 35 -1.124 -5.911 -1.172 283 H GLY 36 HN GLY 36 -5.381 -7.338 -2.585 284 HA2 GLY 36 2HA GLY 36 -7.866 -6.583 -1.637 285 HA3 GLY 36 1HA GLY 36 -7.601 -7.826 -2.846 286 HA PRO 37 HA PRO 37 -8.921 -11.139 -0.331 287 HB2 PRO 37 2HB PRO 37 -6.702 -12.707 0.218 288 HB3 PRO 37 1HB PRO 37 -7.659 -12.774 -1.265 289 HG2 PRO 37 2HG PRO 37 -5.084 -11.357 -0.728 290 HG3 PRO 37 1HG PRO 37 -5.601 -12.245 -2.174 291 HD2 PRO 37 2HD PRO 37 -5.629 -9.569 -2.112 292 HD3 PRO 37 1HD PRO 37 -6.906 -10.484 -2.942 293 H VAL 38 HN VAL 38 -6.172 -9.420 0.995 294 HA VAL 38 HA VAL 38 -6.653 -10.577 3.637 295 HB VAL 38 HB VAL 38 -4.453 -8.673 2.834 296 HG11 VAL 38 1HG1 VAL 38 -4.895 -8.700 5.227 297 HG12 VAL 38 2HG1 VAL 38 -3.359 -9.492 4.880 298 HG13 VAL 38 3HG1 VAL 38 -4.788 -10.461 5.244 299 HG21 VAL 38 3HG2 VAL 38 -4.436 -11.688 2.983 300 HG22 VAL 38 1HG2 VAL 38 -3.008 -10.674 2.778 301 HG23 VAL 38 2HG2 VAL 38 -4.253 -10.704 1.530 302 H ILE 39 HN ILE 39 -5.874 -7.253 2.552 303 HA ILE 39 HA ILE 39 -7.489 -6.310 4.819 304 HB ILE 39 HB ILE 39 -6.177 -4.204 4.641 305 HG12 ILE 39 2HG1 ILE 39 -4.524 -5.806 2.673 306 HG13 ILE 39 1HG1 ILE 39 -5.513 -4.404 2.284 307 HG21 ILE 39 1HG2 ILE 39 -4.116 -5.142 5.620 308 HG22 ILE 39 2HG2 ILE 39 -4.619 -6.746 5.082 309 HG23 ILE 39 3HG2 ILE 39 -5.580 -5.874 6.277 310 HD11 ILE 39 3HD1 ILE 39 -3.133 -4.378 4.124 311 HD12 ILE 39 1HD1 ILE 39 -4.085 -2.984 3.614 312 HD13 ILE 39 2HD1 ILE 39 -3.123 -3.875 2.433 313 H GLY 40 HN GLY 40 -7.954 -6.808 1.705 314 HA2 GLY 40 2HA GLY 40 -8.674 -4.401 0.519 315 HA3 GLY 40 1HA GLY 40 -9.356 -5.965 0.110 316 HA PRO 41 HA PRO 41 -13.190 -4.762 1.874 317 HB2 PRO 41 2HB PRO 41 -14.116 -6.881 3.236 318 HB3 PRO 41 1HB PRO 41 -13.884 -6.929 1.483 319 HG2 PRO 41 2HG PRO 41 -12.120 -7.994 3.655 320 HG3 PRO 41 1HG PRO 41 -12.584 -8.753 2.121 321 HD2 PRO 41 2HD PRO 41 -10.198 -7.471 2.522 322 HD3 PRO 41 1HD PRO 41 -10.983 -7.612 0.937 323 H LEU 42 HN LEU 42 -10.630 -5.108 3.956 324 HA LEU 42 HA LEU 42 -12.088 -4.645 6.415 325 HB2 LEU 42 2HB LEU 42 -9.119 -4.539 5.853 326 HB3 LEU 42 1HB LEU 42 -9.858 -4.455 7.440 327 HG LEU 42 HG LEU 42 -9.890 -6.831 5.578 328 HD11 LEU 42 1HD1 LEU 42 -8.554 -6.377 8.242 329 HD12 LEU 42 2HD1 LEU 42 -7.747 -6.464 6.675 330 HD13 LEU 42 3HD1 LEU 42 -8.555 -7.888 7.333 331 HD21 LEU 42 3HD2 LEU 42 -11.081 -6.524 8.333 332 HD22 LEU 42 1HD2 LEU 42 -11.023 -8.011 7.384 333 HD23 LEU 42 2HD2 LEU 42 -11.991 -6.645 6.826 334 H SER 43 HN SER 43 -11.695 -2.700 7.724 335 HA SER 43 HA SER 43 -12.033 -0.332 6.229 336 HB2 SER 43 2HB SER 43 -12.957 -0.546 8.480 337 HB3 SER 43 1HB SER 43 -11.336 -0.680 9.155 338 HG SER 43 HG SER 43 -12.714 1.555 8.234 339 H VAL 44 HN VAL 44 -10.641 1.291 5.696 340 HA VAL 44 HA VAL 44 -7.885 0.725 5.467 341 HB VAL 44 HB VAL 44 -9.058 2.249 3.945 342 HG11 VAL 44 1HG1 VAL 44 -10.570 3.359 5.427 343 HG12 VAL 44 2HG1 VAL 44 -9.539 4.577 4.674 344 HG13 VAL 44 3HG1 VAL 44 -9.236 4.070 6.335 345 HG21 VAL 44 3HG2 VAL 44 -6.646 2.415 4.083 346 HG22 VAL 44 1HG2 VAL 44 -6.777 3.548 5.429 347 HG23 VAL 44 2HG2 VAL 44 -7.346 4.015 3.827 348 H GLN 45 HN GLN 45 -9.790 2.005 8.021 349 HA GLN 45 HA GLN 45 -7.547 3.146 9.464 350 HB2 GLN 45 2HB GLN 45 -9.791 4.104 9.732 351 HB3 GLN 45 1HB GLN 45 -10.376 2.568 10.360 352 HG2 GLN 45 2HG GLN 45 -8.899 2.762 12.273 353 HG3 GLN 45 1HG GLN 45 -8.248 4.271 11.636 354 HE21 GLN 45 1HE2 GLN 45 -8.870 5.422 13.433 355 HE22 GLN 45 2HE2 GLN 45 -10.520 5.844 13.730 356 H ASP 46 HN ASP 46 -9.238 0.137 9.196 357 HA ASP 46 HA ASP 46 -8.335 -0.934 11.704 358 HB2 ASP 46 2HB ASP 46 -10.468 -1.594 10.482 359 HB3 ASP 46 1HB ASP 46 -9.445 -2.496 9.369 360 H VAL 47 HN VAL 47 -7.108 -0.757 8.489 361 HA VAL 47 HA VAL 47 -5.391 -2.957 8.406 362 HB VAL 47 HB VAL 47 -4.919 -0.222 7.198 363 HG11 VAL 47 1HG1 VAL 47 -3.470 -1.405 5.610 364 HG12 VAL 47 2HG1 VAL 47 -3.722 -2.903 6.505 365 HG13 VAL 47 3HG1 VAL 47 -2.878 -1.554 7.265 366 HG21 VAL 47 3HG2 VAL 47 -7.051 -1.202 6.502 367 HG22 VAL 47 1HG2 VAL 47 -6.216 -2.679 6.020 368 HG23 VAL 47 2HG2 VAL 47 -5.897 -1.167 5.169 369 H ASP 48 HN ASP 48 -4.091 -3.459 10.028 370 HA ASP 48 HA ASP 48 -2.538 -1.348 11.348 371 HB2 ASP 48 2HB ASP 48 -3.991 -2.610 12.829 372 HB3 ASP 48 1HB ASP 48 -3.290 -4.125 12.287 373 H THR 49 HN THR 49 -0.402 -2.085 12.173 374 HA THR 49 HA THR 49 1.293 -2.727 10.045 375 HB THR 49 HB THR 49 1.928 -2.993 12.990 376 HG1 THR 49 1HG THR 49 2.504 -0.698 11.476 377 HG21 THR 49 3HG2 THR 49 3.683 -2.440 10.592 378 HG22 THR 49 1HG2 THR 49 3.648 -3.936 11.526 379 HG23 THR 49 2HG2 THR 49 4.221 -2.442 12.271 380 H LYS 50 HN LYS 50 -0.100 -4.741 12.582 381 HA LYS 50 HA LYS 50 1.425 -7.065 12.161 382 HB2 LYS 50 2HB LYS 50 -0.148 -6.544 14.090 383 HB3 LYS 50 1HB LYS 50 -1.466 -6.984 13.019 384 HG2 LYS 50 2HG LYS 50 -0.466 -9.223 12.764 385 HG3 LYS 50 1HG LYS 50 0.769 -8.773 13.939 386 HD2 LYS 50 2HD LYS 50 -1.063 -8.302 15.569 387 HD3 LYS 50 1HD LYS 50 -2.205 -8.960 14.399 388 HE2 LYS 50 2HE LYS 50 -0.882 -11.081 14.422 389 HE3 LYS 50 1HE LYS 50 0.067 -10.406 15.747 390 HZ1 LYS 50 3HZ LYS 50 -2.819 -11.079 15.726 391 HZ2 LYS 50 1HZ LYS 50 -2.119 -10.118 16.934 392 HZ3 LYS 50 2HZ LYS 50 -1.609 -11.714 16.725 393 H LEU 51 HN LEU 51 -1.625 -5.958 10.764 394 HA LEU 51 HA LEU 51 -2.068 -8.219 9.120 395 HB2 LEU 51 2HB LEU 51 -3.041 -5.376 8.835 396 HB3 LEU 51 1HB LEU 51 -3.668 -6.750 7.952 397 HG LEU 51 HG LEU 51 -3.839 -6.349 10.932 398 HD11 LEU 51 1HD1 LEU 51 -5.300 -4.840 9.715 399 HD12 LEU 51 2HD1 LEU 51 -6.243 -6.090 10.524 400 HD13 LEU 51 3HD1 LEU 51 -5.951 -6.193 8.788 401 HD21 LEU 51 3HD2 LEU 51 -5.278 -8.328 10.918 402 HD22 LEU 51 1HD2 LEU 51 -3.653 -8.711 10.349 403 HD23 LEU 51 2HD2 LEU 51 -4.974 -8.537 9.192 404 H ILE 52 HN ILE 52 -0.461 -5.125 8.656 405 HA ILE 52 HA ILE 52 0.107 -5.270 5.933 406 HB ILE 52 HB ILE 52 1.578 -3.985 8.223 407 HG12 ILE 52 2HG1 ILE 52 -0.098 -2.859 5.973 408 HG13 ILE 52 1HG1 ILE 52 -0.632 -3.088 7.636 409 HG21 ILE 52 1HG2 ILE 52 2.217 -3.741 5.290 410 HG22 ILE 52 2HG2 ILE 52 3.247 -4.445 6.539 411 HG23 ILE 52 3HG2 ILE 52 2.877 -2.720 6.567 412 HD11 ILE 52 3HD1 ILE 52 1.552 -1.230 6.715 413 HD12 ILE 52 1HD1 ILE 52 1.038 -1.468 8.385 414 HD13 ILE 52 2HD1 ILE 52 -0.077 -0.771 7.211 415 H MET 53 HN MET 53 1.852 -6.612 8.701 416 HA MET 53 HA MET 53 4.072 -7.623 7.296 417 HB2 MET 53 2HB MET 53 2.755 -8.610 9.830 418 HB3 MET 53 1HB MET 53 4.311 -9.175 9.238 419 HG2 MET 53 2HG MET 53 5.224 -6.925 9.469 420 HG3 MET 53 1HG MET 53 3.659 -6.344 10.038 421 HE1 MET 53 3HE MET 53 6.347 -5.852 11.631 422 HE2 MET 53 1HE MET 53 5.857 -6.233 13.282 423 HE3 MET 53 2HE MET 53 4.777 -5.319 12.230 424 H LYS 54 HN LYS 54 0.940 -9.045 8.102 425 HA LYS 54 HA LYS 54 1.414 -11.632 7.142 426 HB2 LYS 54 2HB LYS 54 -1.183 -10.088 7.279 427 HB3 LYS 54 1HB LYS 54 -1.058 -11.822 7.018 428 HG2 LYS 54 2HG LYS 54 -0.013 -12.078 9.216 429 HG3 LYS 54 1HG LYS 54 -0.134 -10.337 9.473 430 HD2 LYS 54 2HD LYS 54 -1.952 -11.462 10.613 431 HD3 LYS 54 1HD LYS 54 -2.586 -10.500 9.278 432 HE2 LYS 54 2HE LYS 54 -3.677 -12.676 9.383 433 HE3 LYS 54 1HE LYS 54 -2.745 -12.511 7.896 434 HZ1 LYS 54 3HZ LYS 54 -1.869 -13.969 10.337 435 HZ2 LYS 54 1HZ LYS 54 -0.978 -13.820 8.898 436 HZ3 LYS 54 2HZ LYS 54 -2.435 -14.684 8.907 437 H VAL 55 HN VAL 55 0.307 -8.718 5.506 438 HA VAL 55 HA VAL 55 -0.362 -9.948 3.044 439 HB VAL 55 HB VAL 55 0.486 -7.083 3.528 440 HG11 VAL 55 1HG1 VAL 55 0.577 -7.672 1.176 441 HG12 VAL 55 2HG1 VAL 55 -0.795 -6.606 1.480 442 HG13 VAL 55 3HG1 VAL 55 -1.055 -8.335 1.256 443 HG21 VAL 55 3HG2 VAL 55 -1.404 -7.681 4.931 444 HG22 VAL 55 1HG2 VAL 55 -2.263 -8.323 3.532 445 HG23 VAL 55 2HG2 VAL 55 -1.915 -6.597 3.638 446 H LEU 56 HN LEU 56 2.622 -8.518 4.286 447 HA LEU 56 HA LEU 56 3.945 -8.562 1.745 448 HB2 LEU 56 2HB LEU 56 4.862 -8.028 4.552 449 HB3 LEU 56 1HB LEU 56 6.005 -8.137 3.229 450 HG LEU 56 HG LEU 56 3.750 -6.143 3.459 451 HD11 LEU 56 1HD1 LEU 56 5.566 -5.685 5.003 452 HD12 LEU 56 2HD1 LEU 56 5.563 -4.508 3.690 453 HD13 LEU 56 3HD1 LEU 56 6.738 -5.823 3.691 454 HD21 LEU 56 3HD2 LEU 56 5.885 -6.451 1.346 455 HD22 LEU 56 1HD2 LEU 56 4.737 -5.117 1.463 456 HD23 LEU 56 2HD2 LEU 56 4.160 -6.749 1.133 457 H ASP 57 HN ASP 57 3.521 -10.835 4.287 458 HA ASP 57 HA ASP 57 5.857 -12.265 4.322 459 HB2 ASP 57 2HB ASP 57 3.697 -12.577 5.696 460 HB3 ASP 57 1HB ASP 57 3.212 -13.679 4.421 461 HA PRO 58 HA PRO 58 4.556 -15.059 0.644 462 HB2 PRO 58 2HB PRO 58 2.390 -14.440 -0.836 463 HB3 PRO 58 1HB PRO 58 2.278 -15.405 0.641 464 HG2 PRO 58 2HG PRO 58 1.709 -12.492 0.237 465 HG3 PRO 58 1HG PRO 58 0.793 -13.695 1.165 466 HD2 PRO 58 2HD PRO 58 2.515 -11.918 2.303 467 HD3 PRO 58 1HD PRO 58 2.171 -13.516 2.988 468 H ILE 59 HN ILE 59 4.305 -11.606 0.449 469 HA ILE 59 HA ILE 59 4.713 -11.464 -2.398 470 HB ILE 59 HB ILE 59 4.920 -9.223 -0.381 471 HG12 ILE 59 2HG1 ILE 59 2.590 -10.128 -2.092 472 HG13 ILE 59 1HG1 ILE 59 2.707 -10.300 -0.344 473 HG21 ILE 59 1HG2 ILE 59 4.536 -9.182 -3.377 474 HG22 ILE 59 2HG2 ILE 59 6.009 -8.733 -2.519 475 HG23 ILE 59 3HG2 ILE 59 4.546 -7.768 -2.320 476 HD11 ILE 59 3HD1 ILE 59 2.610 -7.700 -1.853 477 HD12 ILE 59 1HD1 ILE 59 2.715 -7.874 -0.100 478 HD13 ILE 59 2HD1 ILE 59 1.280 -8.435 -0.960 479 H TRP 60 HN TRP 60 6.727 -11.030 0.488 480 HA TRP 60 HA TRP 60 9.049 -10.103 -0.797 481 HB2 TRP 60 2HB TRP 60 8.647 -11.668 1.745 482 HB3 TRP 60 1HB TRP 60 10.249 -11.197 1.195 483 HD1 TRP 60 1HD TRP 60 7.518 -10.022 3.323 484 HE1 TRP 60 1HE TRP 60 7.801 -7.533 3.906 485 HE3 TRP 60 3HE TRP 60 11.110 -8.784 -0.094 486 HZ2 TRP 60 2HZ TRP 60 9.336 -5.338 3.037 487 HZ3 TRP 60 3HZ TRP 60 11.935 -6.469 -0.148 488 HH2 TRP 60 2HH TRP 60 11.065 -4.780 1.387 489 H GLU 61 HN GLU 61 7.686 -13.277 -0.567 490 HA GLU 61 HA GLU 61 10.055 -14.693 -1.279 491 HB2 GLU 61 2HB GLU 61 7.142 -15.463 -1.186 492 HB3 GLU 61 1HB GLU 61 8.460 -16.577 -1.447 493 HG2 GLU 61 2HG GLU 61 8.163 -14.879 1.011 494 HG3 GLU 61 1HG GLU 61 7.588 -16.540 0.878 495 H GLN 62 HN GLN 62 7.409 -13.208 -2.961 496 HA GLN 62 HA GLN 62 8.115 -14.508 -5.470 497 HB2 GLN 62 2HB GLN 62 5.860 -12.684 -4.660 498 HB3 GLN 62 1HB GLN 62 6.139 -13.163 -6.326 499 HG2 GLN 62 2HG GLN 62 5.877 -15.515 -5.677 500 HG3 GLN 62 1HG GLN 62 5.553 -15.002 -4.022 501 HE21 GLN 62 1HE2 GLN 62 3.912 -16.463 -5.991 502 HE22 GLN 62 2HE2 GLN 62 2.434 -15.572 -6.106 503 H LYS 63 HN LYS 63 7.565 -11.160 -4.349 504 HA LYS 63 HA LYS 63 9.515 -10.253 -6.362 505 HB2 LYS 63 2HB LYS 63 6.825 -8.973 -5.829 506 HB3 LYS 63 1HB LYS 63 8.035 -8.400 -6.964 507 HG2 LYS 63 2HG LYS 63 6.721 -11.093 -7.197 508 HG3 LYS 63 1HG LYS 63 6.079 -9.633 -7.951 509 HD2 LYS 63 2HD LYS 63 8.166 -9.360 -9.195 510 HD3 LYS 63 1HD LYS 63 8.813 -10.815 -8.433 511 HE2 LYS 63 2HE LYS 63 7.094 -12.165 -9.464 512 HE3 LYS 63 1HE LYS 63 6.325 -10.729 -10.137 513 HZ1 LYS 63 3HZ LYS 63 7.695 -11.951 -11.753 514 HZ2 LYS 63 1HZ LYS 63 9.072 -11.638 -10.810 515 HZ3 LYS 63 2HZ LYS 63 8.225 -10.355 -11.525 516 HA PRO 64 HA PRO 64 10.541 -8.595 -2.161 517 HB2 PRO 64 2HB PRO 64 13.173 -8.102 -2.881 518 HB3 PRO 64 1HB PRO 64 12.585 -9.579 -2.113 519 HG2 PRO 64 2HG PRO 64 13.149 -9.029 -4.989 520 HG3 PRO 64 1HG PRO 64 13.439 -10.504 -4.050 521 HD2 PRO 64 2HD PRO 64 11.373 -10.304 -5.753 522 HD3 PRO 64 1HD PRO 64 11.235 -11.199 -4.226 523 H GLU 65 HN GLU 65 11.859 -7.207 -5.199 524 HA GLU 65 HA GLU 65 12.087 -4.584 -4.186 525 HB2 GLU 65 2HB GLU 65 13.247 -5.358 -6.235 526 HB3 GLU 65 1HB GLU 65 11.695 -5.424 -7.058 527 HG2 GLU 65 2HG GLU 65 11.440 -2.977 -6.571 528 HG3 GLU 65 1HG GLU 65 13.111 -2.991 -6.011 529 H THR 66 HN THR 66 9.500 -6.295 -5.818 530 HA THR 66 HA THR 66 7.856 -4.012 -6.225 531 HB THR 66 HB THR 66 6.948 -6.890 -6.134 532 HG1 THR 66 1HG THR 66 7.352 -6.505 -8.558 533 HG21 THR 66 3HG2 THR 66 5.912 -4.460 -7.610 534 HG22 THR 66 1HG2 THR 66 5.142 -5.247 -6.232 535 HG23 THR 66 2HG2 THR 66 5.277 -6.100 -7.772 536 H ALA 67 HN ALA 67 8.166 -6.414 -3.679 537 HA ALA 67 HA ALA 67 5.892 -5.779 -2.174 538 HB1 ALA 67 1HB ALA 67 8.595 -6.652 -1.142 539 HB2 ALA 67 2HB ALA 67 7.325 -7.728 -1.724 540 HB3 ALA 67 3HB ALA 67 7.060 -6.757 -0.277 541 H SER 68 HN SER 68 9.138 -4.400 -2.173 542 HA SER 68 HA SER 68 8.738 -2.531 -0.109 543 HB2 SER 68 2HB SER 68 10.970 -3.184 -0.959 544 HB3 SER 68 1HB SER 68 10.621 -2.369 -2.482 545 HG SER 68 HG SER 68 10.984 -1.234 0.085 546 H ARG 69 HN ARG 69 8.438 -2.249 -3.642 547 HA ARG 69 HA ARG 69 7.699 0.459 -3.681 548 HB2 ARG 69 2HB ARG 69 7.320 -1.806 -5.617 549 HB3 ARG 69 1HB ARG 69 6.697 -0.202 -5.947 550 HG2 ARG 69 2HG ARG 69 9.064 0.633 -5.556 551 HG3 ARG 69 1HG ARG 69 9.542 -1.062 -5.645 552 HD2 ARG 69 2HD ARG 69 8.720 -1.261 -7.872 553 HD3 ARG 69 1HD ARG 69 7.954 0.326 -7.790 554 HE ARG 69 HE ARG 69 10.735 -0.255 -8.301 555 HH11 ARG 69 1HH1 ARG 69 8.384 2.164 -7.340 556 HH12 ARG 69 2HH1 ARG 69 9.427 3.508 -7.695 557 HH21 ARG 69 1HH2 ARG 69 12.102 1.523 -8.801 558 HH22 ARG 69 2HH2 ARG 69 11.531 3.148 -8.525 559 H LEU 70 HN LEU 70 5.762 -2.507 -3.636 560 HA LEU 70 HA LEU 70 3.241 -1.320 -3.893 561 HB2 LEU 70 2HB LEU 70 3.606 -3.721 -4.132 562 HB3 LEU 70 1HB LEU 70 4.030 -3.844 -2.436 563 HG LEU 70 HG LEU 70 1.728 -3.195 -1.823 564 HD11 LEU 70 1HD1 LEU 70 1.194 -1.876 -3.815 565 HD12 LEU 70 2HD1 LEU 70 -0.012 -3.129 -3.521 566 HD13 LEU 70 3HD1 LEU 70 1.196 -3.348 -4.787 567 HD21 LEU 70 3HD2 LEU 70 0.655 -5.279 -2.499 568 HD22 LEU 70 1HD2 LEU 70 2.326 -5.550 -2.005 569 HD23 LEU 70 2HD2 LEU 70 1.904 -5.532 -3.717 570 H ARG 71 HN ARG 71 5.201 -1.997 -1.017 571 HA ARG 71 HA ARG 71 3.223 -1.141 0.827 572 HB2 ARG 71 2HB ARG 71 5.388 -2.531 1.241 573 HB3 ARG 71 1HB ARG 71 6.157 -0.958 1.422 574 HG2 ARG 71 2HG ARG 71 5.604 -1.432 3.592 575 HG3 ARG 71 1HG ARG 71 4.185 -0.515 3.080 576 HD2 ARG 71 2HD ARG 71 4.466 -3.504 3.356 577 HD3 ARG 71 1HD ARG 71 3.400 -2.434 4.261 578 HE ARG 71 HE ARG 71 2.685 -2.195 1.595 579 HH11 ARG 71 1HH1 ARG 71 2.730 -4.695 4.046 580 HH12 ARG 71 2HH1 ARG 71 1.454 -5.612 3.323 581 HH21 ARG 71 1HH2 ARG 71 1.006 -3.429 0.622 582 HH22 ARG 71 2HH2 ARG 71 0.473 -4.892 1.378 583 H GLY 72 HN GLY 72 5.906 0.491 -0.795 584 HA2 GLY 72 2HA GLY 72 5.686 2.972 0.528 585 HA3 GLY 72 1HA GLY 72 6.384 2.719 -1.066 586 H ARG 73 HN ARG 73 4.119 1.726 -2.388 587 HA ARG 73 HA ARG 73 2.743 4.090 -3.071 588 HB2 ARG 73 2HB ARG 73 2.038 1.196 -3.600 589 HB3 ARG 73 1HB ARG 73 1.227 2.568 -4.346 590 HG2 ARG 73 2HG ARG 73 3.322 3.246 -5.393 591 HG3 ARG 73 1HG ARG 73 4.147 1.889 -4.626 592 HD2 ARG 73 2HD ARG 73 2.701 0.330 -5.844 593 HD3 ARG 73 1HD ARG 73 1.884 1.692 -6.611 594 HE ARG 73 HE ARG 73 4.697 1.806 -7.040 595 HH11 ARG 73 1HH1 ARG 73 1.808 0.146 -8.128 596 HH12 ARG 73 2HH1 ARG 73 2.443 -0.199 -9.710 597 HH21 ARG 73 1HH2 ARG 73 5.521 1.378 -9.118 598 HH22 ARG 73 2HH2 ARG 73 4.552 0.526 -10.283 599 H ILE 74 HN ILE 74 1.917 1.360 -0.996 600 HA ILE 74 HA ILE 74 -0.694 2.252 -0.349 601 HB ILE 74 HB ILE 74 1.179 0.336 1.025 602 HG12 ILE 74 2HG1 ILE 74 -1.346 0.015 -0.605 603 HG13 ILE 74 1HG1 ILE 74 0.288 -0.410 -1.098 604 HG21 ILE 74 1HG2 ILE 74 -1.671 0.942 1.797 605 HG22 ILE 74 2HG2 ILE 74 -0.239 1.349 2.742 606 HG23 ILE 74 3HG2 ILE 74 -0.665 -0.341 2.469 607 HD11 ILE 74 3HD1 ILE 74 0.361 -2.165 0.565 608 HD12 ILE 74 1HD1 ILE 74 -1.044 -2.362 -0.485 609 HD13 ILE 74 2HD1 ILE 74 -1.241 -1.705 1.140 610 H GLU 75 HN GLU 75 2.481 2.790 1.144 611 HA GLU 75 HA GLU 75 1.703 4.137 3.446 612 HB2 GLU 75 2HB GLU 75 4.066 3.581 2.790 613 HB3 GLU 75 1HB GLU 75 4.018 4.937 1.670 614 HG2 GLU 75 2HG GLU 75 3.250 6.203 3.887 615 HG3 GLU 75 1HG GLU 75 4.196 4.911 4.620 616 H SER 76 HN SER 76 2.134 5.368 0.158 617 HA SER 76 HA SER 76 1.532 8.055 0.658 618 HB2 SER 76 2HB SER 76 2.528 7.015 -1.458 619 HB3 SER 76 1HB SER 76 0.873 6.609 -1.893 620 HG SER 76 HG SER 76 1.749 9.243 -1.276 621 H VAL 77 HN VAL 77 -0.540 5.333 -0.276 622 HA VAL 77 HA VAL 77 -2.961 6.746 -0.445 623 HB VAL 77 HB VAL 77 -2.517 3.848 0.316 624 HG11 VAL 77 1HG1 VAL 77 -5.005 5.237 -0.682 625 HG12 VAL 77 2HG1 VAL 77 -4.751 4.590 0.938 626 HG13 VAL 77 3HG1 VAL 77 -4.826 3.497 -0.444 627 HG21 VAL 77 3HG2 VAL 77 -2.966 3.386 -2.053 628 HG22 VAL 77 1HG2 VAL 77 -1.540 4.402 -1.848 629 HG23 VAL 77 2HG2 VAL 77 -3.066 5.117 -2.369 630 H LEU 78 HN LEU 78 -1.489 4.983 2.268 631 HA LEU 78 HA LEU 78 -3.540 5.473 4.131 632 HB2 LEU 78 2HB LEU 78 -0.592 5.012 4.592 633 HB3 LEU 78 1HB LEU 78 -1.813 4.979 5.849 634 HG LEU 78 HG LEU 78 -1.624 3.066 3.519 635 HD11 LEU 78 1HD1 LEU 78 0.111 2.708 5.194 636 HD12 LEU 78 2HD1 LEU 78 -1.083 1.410 5.238 637 HD13 LEU 78 3HD1 LEU 78 -1.110 2.674 6.467 638 HD21 LEU 78 3HD2 LEU 78 -3.937 3.453 4.135 639 HD22 LEU 78 1HD2 LEU 78 -3.556 3.167 5.833 640 HD23 LEU 78 2HD2 LEU 78 -3.427 1.850 4.666 641 H ASP 79 HN ASP 79 -0.662 7.309 3.255 642 HA ASP 79 HA ASP 79 -0.781 9.248 5.298 643 HB2 ASP 79 2HB ASP 79 1.168 8.872 3.804 644 HB3 ASP 79 1HB ASP 79 0.245 9.533 2.460 645 H TRP 80 HN TRP 80 -2.042 9.233 1.996 646 HA TRP 80 HA TRP 80 -3.293 11.752 2.061 647 HB2 TRP 80 2HB TRP 80 -2.836 10.622 -0.030 648 HB3 TRP 80 1HB TRP 80 -3.853 9.265 0.430 649 HD1 TRP 80 1HD TRP 80 -4.110 12.921 -0.751 650 HE1 TRP 80 1HE TRP 80 -6.461 13.277 -1.741 651 HE3 TRP 80 3HE TRP 80 -6.197 8.420 0.484 652 HZ2 TRP 80 2HZ TRP 80 -8.885 11.833 -1.962 653 HZ3 TRP 80 3HZ TRP 80 -8.533 7.987 -0.155 654 HH2 TRP 80 2HH TRP 80 -9.846 9.661 -1.353 655 H ALA 81 HN ALA 81 -4.502 8.503 2.762 656 HA ALA 81 HA ALA 81 -7.196 9.177 3.161 657 HB1 ALA 81 1HB ALA 81 -6.404 6.889 2.804 658 HB2 ALA 81 2HB ALA 81 -7.399 7.020 4.255 659 HB3 ALA 81 3HB ALA 81 -5.645 6.909 4.396 660 H THR 82 HN THR 82 -4.458 9.137 5.392 661 HA THR 82 HA THR 82 -6.003 9.530 7.744 662 HB THR 82 HB THR 82 -3.099 10.275 7.336 663 HG1 THR 82 1HG THR 82 -3.200 8.148 6.798 664 HG21 THR 82 3HG2 THR 82 -4.100 11.109 9.419 665 HG22 THR 82 1HG2 THR 82 -2.920 9.838 9.744 666 HG23 THR 82 2HG2 THR 82 -4.647 9.479 9.811 667 H VAL 83 HN VAL 83 -4.358 11.710 5.502 668 HA VAL 83 HA VAL 83 -4.905 14.098 6.935 669 HB VAL 83 HB VAL 83 -4.364 13.684 3.987 670 HG11 VAL 83 1HG1 VAL 83 -5.477 15.823 4.370 671 HG12 VAL 83 2HG1 VAL 83 -3.785 16.067 3.938 672 HG13 VAL 83 3HG1 VAL 83 -4.297 16.224 5.619 673 HG21 VAL 83 3HG2 VAL 83 -2.542 14.475 6.258 674 HG22 VAL 83 1HG2 VAL 83 -2.087 14.400 4.556 675 HG23 VAL 83 2HG2 VAL 83 -2.544 12.928 5.412 676 H ARG 84 HN ARG 84 -6.593 12.416 4.294 677 HA ARG 84 HA ARG 84 -8.705 14.261 4.054 678 HB2 ARG 84 2HB ARG 84 -8.009 11.607 3.061 679 HB3 ARG 84 1HB ARG 84 -9.740 11.838 3.268 680 HG2 ARG 84 2HG ARG 84 -8.818 12.388 0.998 681 HG3 ARG 84 1HG ARG 84 -9.779 13.636 1.774 682 HD2 ARG 84 2HD ARG 84 -6.808 13.654 2.044 683 HD3 ARG 84 1HD ARG 84 -7.573 14.291 0.589 684 HE ARG 84 HE ARG 84 -7.785 15.389 3.301 685 HH11 ARG 84 1HH1 ARG 84 -8.536 15.605 -0.104 686 HH12 ARG 84 2HH1 ARG 84 -9.068 17.253 -0.022 687 HH21 ARG 84 1HH2 ARG 84 -8.486 17.559 3.433 688 HH22 ARG 84 2HH2 ARG 84 -9.018 18.380 1.991 689 H GLY 85 HN GLY 85 -8.132 11.655 6.293 690 HA2 GLY 85 2HA GLY 85 -9.207 11.524 8.386 691 HA3 GLY 85 1HA GLY 85 -10.523 12.494 7.745 692 H TYR 86 HN TYR 86 -9.490 9.887 5.763 693 HA TYR 86 HA TYR 86 -11.971 8.475 6.272 694 HB2 TYR 86 2HB TYR 86 -9.689 7.853 4.376 695 HB3 TYR 86 1HB TYR 86 -11.182 6.924 4.483 696 HD1 TYR 86 2HD TYR 86 -13.287 8.849 4.591 697 HD2 TYR 86 1HD TYR 86 -9.650 9.034 2.398 698 HE1 TYR 86 2HE TYR 86 -14.350 10.368 2.968 699 HE2 TYR 86 1HE TYR 86 -10.697 10.550 0.773 700 HH TYR 86 HH TYR 86 -13.594 12.143 1.335 701 H ARG 87 HN ARG 87 -8.776 8.446 7.335 702 HA ARG 87 HA ARG 87 -9.343 6.221 9.112 703 HB2 ARG 87 2HB ARG 87 -7.267 5.072 8.666 704 HB3 ARG 87 1HB ARG 87 -8.133 5.244 7.145 705 HG2 ARG 87 2HG ARG 87 -6.719 7.104 6.516 706 HG3 ARG 87 1HG ARG 87 -5.880 7.015 8.065 707 HD2 ARG 87 2HD ARG 87 -5.896 4.960 5.865 708 HD3 ARG 87 1HD ARG 87 -4.533 5.936 6.408 709 HE ARG 87 HE ARG 87 -5.594 3.545 7.654 710 HH11 ARG 87 1HH1 ARG 87 -3.600 6.405 8.054 711 HH12 ARG 87 2HH1 ARG 87 -2.632 5.711 9.320 712 HH21 ARG 87 1HH2 ARG 87 -4.344 2.641 9.351 713 HH22 ARG 87 2HH2 ARG 87 -3.088 3.580 10.082 714 H GLU 88 HN GLU 88 -8.008 6.299 11.012 715 HA GLU 88 HA GLU 88 -6.490 8.795 11.298 716 HB2 GLU 88 2HB GLU 88 -8.475 7.613 13.244 717 HB3 GLU 88 1HB GLU 88 -7.357 8.906 13.656 718 HG2 GLU 88 2HG GLU 88 -8.363 10.319 11.932 719 HG3 GLU 88 1HG GLU 88 -9.490 9.025 11.534 720 H GLY 89 HN GLY 89 -4.962 8.758 13.122 721 HA2 GLY 89 2HA GLY 89 -3.777 7.271 14.715 722 HA3 GLY 89 1HA GLY 89 -3.843 6.047 13.454 723 H ASP 90 HN ASP 90 -1.947 5.771 12.492 724 HA ASP 90 HA ASP 90 -0.418 8.118 11.651 725 HB2 ASP 90 2HB ASP 90 0.456 7.125 13.878 726 HB3 ASP 90 1HB ASP 90 1.010 5.770 12.898 727 H ASN 91 HN ASN 91 1.772 6.654 10.599 728 HA ASN 91 HA ASN 91 0.425 5.304 8.369 729 HB2 ASN 91 2HB ASN 91 2.816 7.063 8.614 730 HB3 ASN 91 1HB ASN 91 2.810 5.849 7.349 731 HD21 ASN 91 1HD2 ASN 91 1.535 6.130 5.577 732 HD22 ASN 91 2HD2 ASN 91 0.606 7.557 5.286 733 HA PRO 92 HA PRO 92 2.519 1.927 10.663 734 HB2 PRO 92 2HB PRO 92 0.630 0.240 9.165 735 HB3 PRO 92 1HB PRO 92 0.876 0.382 10.908 736 HG2 PRO 92 2HG PRO 92 -1.321 1.363 9.715 737 HG3 PRO 92 1HG PRO 92 -0.571 2.173 11.103 738 HD2 PRO 92 2HD PRO 92 -0.371 2.828 8.189 739 HD3 PRO 92 1HD PRO 92 -0.574 3.921 9.575 740 H ALA 93 HN ALA 93 2.163 2.520 7.316 741 HA ALA 93 HA ALA 93 3.909 0.277 6.589 742 HB1 ALA 93 1HB ALA 93 3.301 0.749 4.278 743 HB2 ALA 93 2HB ALA 93 2.394 2.173 4.790 744 HB3 ALA 93 3HB ALA 93 1.853 0.564 5.267 745 H ARG 94 HN ARG 94 4.390 3.189 7.766 746 HA ARG 94 HA ARG 94 6.473 4.003 5.872 747 HB2 ARG 94 2HB ARG 94 4.933 5.765 6.485 748 HB3 ARG 94 1HB ARG 94 5.194 5.454 8.193 749 HG2 ARG 94 2HG ARG 94 7.419 6.294 8.086 750 HG3 ARG 94 1HG ARG 94 7.356 6.384 6.323 751 HD2 ARG 94 2HD ARG 94 5.584 7.960 8.187 752 HD3 ARG 94 1HD ARG 94 7.057 8.581 7.442 753 HE ARG 94 HE ARG 94 5.750 7.848 5.275 754 HH11 ARG 94 1HH1 ARG 94 4.465 9.446 8.125 755 HH12 ARG 94 2HH1 ARG 94 3.263 10.331 7.232 756 HH21 ARG 94 1HH2 ARG 94 4.180 8.977 4.122 757 HH22 ARG 94 2HH2 ARG 94 3.082 10.053 4.952 758 H TRP 95 HN TRP 95 5.985 3.551 9.363 759 HA TRP 95 HA TRP 95 7.291 2.671 10.990 760 HB2 TRP 95 2HB TRP 95 8.801 1.706 8.590 761 HB3 TRP 95 1HB TRP 95 9.461 1.485 10.207 762 HD1 TRP 95 1HD TRP 95 7.645 0.200 11.961 763 HE1 TRP 95 1HE TRP 95 6.245 -1.898 11.458 764 HE3 TRP 95 3HE TRP 95 7.664 0.436 6.858 765 HZ2 TRP 95 2HZ TRP 95 5.265 -3.269 9.183 766 HZ3 TRP 95 3HZ TRP 95 6.469 -1.303 5.591 767 HH2 TRP 95 2HH TRP 95 5.295 -3.115 6.729 768 H ARG 96 HN ARG 96 9.027 3.159 12.293 769 HA ARG 96 HA ARG 96 10.751 5.363 11.420 770 HB2 ARG 96 2HB ARG 96 9.560 5.882 13.438 771 HB3 ARG 96 1HB ARG 96 9.957 4.324 14.145 772 HG2 ARG 96 2HG ARG 96 12.291 4.964 14.293 773 HG3 ARG 96 1HG ARG 96 11.919 6.506 13.527 774 HD2 ARG 96 2HD ARG 96 10.617 7.213 15.386 775 HD3 ARG 96 1HD ARG 96 10.640 5.599 16.096 776 HE ARG 96 HE ARG 96 13.089 5.959 16.400 777 HH11 ARG 96 1HH1 ARG 96 10.947 8.710 16.066 778 HH12 ARG 96 2HH1 ARG 96 11.932 9.761 17.046 779 HH21 ARG 96 1HH2 ARG 96 14.406 7.335 17.659 780 HH22 ARG 96 2HH2 ARG 96 13.903 8.972 17.955 781 H GLY 97 HN GLY 97 10.601 2.056 12.319 782 HA2 GLY 97 2HA GLY 97 13.199 1.507 11.325 783 HA3 GLY 97 1HA GLY 97 13.194 1.459 13.083 784 H TYR 98 HN TYR 98 12.044 -0.049 10.168 785 HA TYR 98 HA TYR 98 10.794 -2.197 11.705 786 HB2 TYR 98 2HB TYR 98 9.549 -1.321 9.780 787 HB3 TYR 98 1HB TYR 98 10.888 -1.735 8.715 788 HD1 TYR 98 1HD TYR 98 9.348 -3.731 11.466 789 HD2 TYR 98 2HD TYR 98 10.035 -3.362 7.286 790 HE1 TYR 98 1HE TYR 98 8.376 -5.961 11.115 791 HE2 TYR 98 2HE TYR 98 9.068 -5.593 6.925 792 HH TYR 98 HH TYR 98 7.459 -7.336 9.470 793 H LEU 99 HN LEU 99 12.870 -2.183 8.800 794 HA LEU 99 HA LEU 99 14.067 -4.675 9.691 795 HB2 LEU 99 2HB LEU 99 14.367 -3.118 7.121 796 HB3 LEU 99 1HB LEU 99 15.151 -4.648 7.448 797 HG LEU 99 HG LEU 99 12.169 -4.212 7.279 798 HD11 LEU 99 1HD1 LEU 99 13.270 -4.035 5.112 799 HD12 LEU 99 2HD1 LEU 99 12.322 -5.517 5.222 800 HD13 LEU 99 3HD1 LEU 99 14.076 -5.580 5.388 801 HD21 LEU 99 3HD2 LEU 99 13.754 -6.758 7.604 802 HD22 LEU 99 1HD2 LEU 99 12.003 -6.636 7.417 803 HD23 LEU 99 2HD2 LEU 99 12.784 -5.985 8.858 804 H GLU 100 HN GLU 100 15.107 -1.424 8.724 805 HA GLU 100 HA GLU 100 17.427 -1.691 10.470 806 HB2 GLU 100 2HB GLU 100 18.938 -0.799 8.750 807 HB3 GLU 100 1HB GLU 100 18.245 -2.335 8.247 808 HG2 GLU 100 2HG GLU 100 16.712 -1.233 6.777 809 HG3 GLU 100 1HG GLU 100 17.203 0.350 7.378 810 H HIS 101 HN HIS 101 18.354 0.344 11.057 811 HA HIS 101 HA HIS 101 16.540 2.613 10.771 812 HB2 HIS 101 2HB HIS 101 19.032 2.178 12.430 813 HB3 HIS 101 1HB HIS 101 18.232 3.741 12.307 814 HD1 HIS 101 1HD HIS 101 18.454 1.109 14.573 815 HD2 HIS 101 2HD HIS 101 15.243 3.230 12.978 816 HE1 HIS 101 1HE HIS 101 16.547 0.775 16.181 817 HE2 HIS 101 2HE HIS 101 14.573 1.914 15.108 818 H HIS 102 HN HIS 102 16.743 3.705 8.937 819 HA HIS 102 HA HIS 102 19.104 3.665 7.360 820 HB2 HIS 102 2HB HIS 102 16.514 5.149 7.220 821 HB3 HIS 102 1HB HIS 102 17.858 5.672 6.209 822 HD1 HIS 102 1HD HIS 102 18.392 4.286 4.166 823 HD2 HIS 102 2HD HIS 102 15.541 2.531 6.629 824 HE1 HIS 102 1HE HIS 102 17.476 2.339 2.861 825 HE2 HIS 102 2HE HIS 102 15.899 1.177 4.449 826 H HIS 103 HN HIS 103 17.682 6.081 9.507 827 HA HIS 103 HA HIS 103 18.537 7.876 10.590 828 HB2 HIS 103 2HB HIS 103 20.390 6.410 11.245 829 HB3 HIS 103 1HB HIS 103 21.223 6.767 9.736 830 HD1 HIS 103 1HD HIS 103 22.892 8.581 9.862 831 HD2 HIS 103 2HD HIS 103 20.045 8.888 12.877 832 HE1 HIS 103 1HE HIS 103 23.628 10.514 11.297 833 HE2 HIS 103 2HE HIS 103 21.822 10.761 13.042 834 H HIS 104 HN HIS 104 18.597 9.975 10.012 835 HA HIS 104 HA HIS 104 18.647 10.520 7.210 836 HB2 HIS 104 2HB HIS 104 17.967 12.727 7.722 837 HB3 HIS 104 1HB HIS 104 17.175 11.699 8.904 838 HD1 HIS 104 1HD HIS 104 19.288 14.640 8.580 839 HD2 HIS 104 2HD HIS 104 18.431 11.856 11.544 840 HE1 HIS 104 1HE HIS 104 20.060 15.684 10.734 841 HE2 HIS 104 2HE HIS 104 19.303 14.084 12.530 842 H HIS 105 HN HIS 105 20.329 10.839 6.002 843 HA HIS 105 HA HIS 105 22.408 12.672 6.686 844 HB2 HIS 105 2HB HIS 105 23.200 10.594 7.849 845 HB3 HIS 105 1HB HIS 105 23.227 9.780 6.288 846 HD1 HIS 105 1HD HIS 105 25.271 11.828 8.513 847 HD2 HIS 105 2HD HIS 105 25.179 10.963 4.442 848 HE1 HIS 105 1HE HIS 105 27.511 12.533 7.612 849 HE2 HIS 105 2HE HIS 105 27.471 11.924 5.166 850 H HIS 106 HN HIS 106 22.099 9.788 4.586 851 HA HIS 106 HA HIS 106 21.560 11.584 2.357 852 HB2 HIS 106 2HB HIS 106 23.071 10.490 0.820 853 HB3 HIS 106 1HB HIS 106 23.987 11.071 2.198 854 HD1 HIS 106 1HD HIS 106 25.487 9.424 3.296 855 HD2 HIS 106 2HD HIS 106 22.679 7.589 0.850 856 HE1 HIS 106 1HE HIS 106 26.132 6.996 3.233 857 HE2 HIS 106 2HE HIS 106 24.302 5.876 1.908 Start of MODEL 8 1 H1 MET 1 H1 MET 1 -15.384 4.795 6.448 2 H2 MET 1 H2 MET 1 -14.029 4.006 7.092 3 H3 MET 1 H3 MET 1 -15.338 3.099 6.519 4 HA MET 1 HA MET 1 -14.923 3.912 4.271 5 HB2 MET 1 2HB MET 1 -13.859 6.021 4.810 6 HB3 MET 1 1HB MET 1 -12.541 5.195 5.630 7 HG2 MET 1 2HG MET 1 -11.809 5.964 3.472 8 HG3 MET 1 1HG MET 1 -11.859 4.204 3.495 9 HE1 MET 1 2HE MET 1 -13.467 7.490 2.128 10 HE2 MET 1 3HE MET 1 -14.802 6.832 3.076 11 HE3 MET 1 1HE MET 1 -14.913 6.891 1.317 12 H THR 2 HN THR 2 -14.081 2.269 3.052 13 HA THR 2 HA THR 2 -12.459 0.305 4.489 14 HB THR 2 HB THR 2 -12.950 -1.207 2.576 15 HG1 THR 2 1HG THR 2 -14.839 0.715 1.674 16 HG21 THR 2 3HG2 THR 2 -14.412 -1.178 4.550 17 HG22 THR 2 1HG2 THR 2 -15.311 -1.546 3.077 18 HG23 THR 2 2HG2 THR 2 -15.403 0.065 3.789 19 H PHE 3 HN PHE 3 -10.649 -0.747 3.317 20 HA PHE 3 HA PHE 3 -8.831 1.264 2.482 21 HB2 PHE 3 2HB PHE 3 -8.127 -0.809 3.652 22 HB3 PHE 3 1HB PHE 3 -8.546 -1.738 2.217 23 HD1 PHE 3 2HD PHE 3 -6.326 0.974 3.434 24 HD2 PHE 3 1HD PHE 3 -6.988 -2.031 0.489 25 HE1 PHE 3 2HE PHE 3 -4.067 1.359 2.538 26 HE2 PHE 3 1HE PHE 3 -4.728 -1.649 -0.412 27 HZ PHE 3 HZ PHE 3 -3.265 0.048 0.610 28 H SER 4 HN SER 4 -10.641 -1.231 0.755 29 HA SER 4 HA SER 4 -9.557 -0.838 -1.790 30 HB2 SER 4 2HB SER 4 -11.027 -2.736 -1.202 31 HB3 SER 4 1HB SER 4 -12.392 -1.631 -1.071 32 HG SER 4 HG SER 4 -11.114 -1.362 -3.451 33 H GLU 5 HN GLU 5 -12.234 0.799 -0.155 34 HA GLU 5 HA GLU 5 -12.965 2.431 -2.357 35 HB2 GLU 5 2HB GLU 5 -13.529 2.452 0.581 36 HB3 GLU 5 1HB GLU 5 -13.988 3.834 -0.395 37 HG2 GLU 5 2HG GLU 5 -15.318 2.382 -1.825 38 HG3 GLU 5 1HG GLU 5 -14.864 0.995 -0.837 39 H CYS 6 HN CYS 6 -10.948 2.968 0.495 40 HA CYS 6 HA CYS 6 -10.371 5.684 0.006 41 HB2 CYS 6 2HB CYS 6 -10.016 4.380 2.152 42 HB3 CYS 6 1HB CYS 6 -8.565 3.722 1.421 43 HG CYS 6 HG CYS 6 -7.847 6.643 0.925 44 H ALA 7 HN ALA 7 -8.537 2.738 -0.719 45 HA ALA 7 HA ALA 7 -6.358 3.916 -2.011 46 HB1 ALA 7 1HB ALA 7 -5.995 1.747 -3.071 47 HB2 ALA 7 2HB ALA 7 -7.626 1.244 -2.624 48 HB3 ALA 7 3HB ALA 7 -6.424 1.552 -1.371 49 H ALA 8 HN ALA 8 -9.485 2.868 -3.315 50 HA ALA 8 HA ALA 8 -8.990 3.495 -6.002 51 HB1 ALA 8 1HB ALA 8 -10.902 2.156 -5.311 52 HB2 ALA 8 2HB ALA 8 -11.426 3.546 -6.261 53 HB3 ALA 8 3HB ALA 8 -11.615 3.555 -4.508 54 H LEU 9 HN LEU 9 -10.247 5.471 -3.335 55 HA LEU 9 HA LEU 9 -10.847 7.774 -4.827 56 HB2 LEU 9 2HB LEU 9 -9.960 7.515 -1.950 57 HB3 LEU 9 1HB LEU 9 -10.563 8.995 -2.666 58 HG LEU 9 HG LEU 9 -12.143 6.440 -2.387 59 HD11 LEU 9 1HD1 LEU 9 -13.385 7.644 -0.669 60 HD12 LEU 9 2HD1 LEU 9 -12.309 9.028 -0.850 61 HD13 LEU 9 3HD1 LEU 9 -11.683 7.499 -0.232 62 HD21 LEU 9 3HD2 LEU 9 -14.047 7.827 -3.050 63 HD22 LEU 9 1HD2 LEU 9 -12.823 7.770 -4.318 64 HD23 LEU 9 2HD2 LEU 9 -12.964 9.199 -3.294 65 H TYR 10 HN TYR 10 -7.858 6.745 -3.236 66 HA TYR 10 HA TYR 10 -6.325 9.041 -3.740 67 HB2 TYR 10 2HB TYR 10 -5.568 7.281 -2.215 68 HB3 TYR 10 1HB TYR 10 -5.437 6.150 -3.555 69 HD1 TYR 10 2HD TYR 10 -3.952 9.155 -2.013 70 HD2 TYR 10 1HD TYR 10 -3.534 6.160 -5.008 71 HE1 TYR 10 2HE TYR 10 -1.620 9.846 -2.373 72 HE2 TYR 10 1HE TYR 10 -1.201 6.839 -5.371 73 HH TYR 10 HH TYR 10 0.476 8.879 -3.257 74 H ILE 11 HN ILE 11 -6.695 6.072 -5.613 75 HA ILE 11 HA ILE 11 -4.956 6.806 -7.713 76 HB ILE 11 HB ILE 11 -7.215 4.798 -7.681 77 HG12 ILE 11 2HG1 ILE 11 -4.231 4.411 -7.369 78 HG13 ILE 11 1HG1 ILE 11 -5.375 4.446 -6.032 79 HG21 ILE 11 1HG2 ILE 11 -6.664 5.427 -9.970 80 HG22 ILE 11 2HG2 ILE 11 -6.110 3.790 -9.623 81 HG23 ILE 11 3HG2 ILE 11 -4.956 5.121 -9.656 82 HD11 ILE 11 3HD1 ILE 11 -6.493 2.470 -6.965 83 HD12 ILE 11 1HD1 ILE 11 -4.794 2.174 -6.595 84 HD13 ILE 11 2HD1 ILE 11 -5.300 2.429 -8.266 85 H LYS 12 HN LYS 12 -8.506 6.936 -7.442 86 HA LYS 12 HA LYS 12 -8.963 7.926 -10.043 87 HB2 LYS 12 2HB LYS 12 -10.640 8.110 -7.537 88 HB3 LYS 12 1HB LYS 12 -11.202 8.613 -9.125 89 HG2 LYS 12 2HG LYS 12 -10.961 6.359 -9.966 90 HG3 LYS 12 1HG LYS 12 -10.275 5.834 -8.427 91 HD2 LYS 12 2HD LYS 12 -12.576 5.168 -8.500 92 HD3 LYS 12 1HD LYS 12 -12.417 6.478 -7.330 93 HE2 LYS 12 2HE LYS 12 -13.226 8.065 -9.019 94 HE3 LYS 12 1HE LYS 12 -13.388 6.743 -10.174 95 HZ1 LYS 12 3HZ LYS 12 -14.854 6.948 -7.598 96 HZ2 LYS 12 1HZ LYS 12 -15.036 5.722 -8.754 97 HZ3 LYS 12 2HZ LYS 12 -15.504 7.309 -9.123 98 H ALA 13 HN ALA 13 -8.277 9.569 -7.007 99 HA ALA 13 HA ALA 13 -8.808 12.197 -7.930 100 HB1 ALA 13 1HB ALA 13 -6.926 11.288 -5.751 101 HB2 ALA 13 2HB ALA 13 -8.634 11.684 -5.552 102 HB3 ALA 13 3HB ALA 13 -7.484 12.942 -6.008 103 H HIS 14 HN HIS 14 -6.139 10.029 -8.352 104 HA HIS 14 HA HIS 14 -4.443 12.195 -9.370 105 HB2 HIS 14 2HB HIS 14 -3.841 9.380 -8.489 106 HB3 HIS 14 1HB HIS 14 -2.690 10.305 -9.447 107 HD1 HIS 14 1HD HIS 14 -4.253 10.136 -6.052 108 HD2 HIS 14 2HD HIS 14 -1.375 12.355 -8.073 109 HE1 HIS 14 1HE HIS 14 -3.047 11.456 -4.282 110 HE2 HIS 14 2HE HIS 14 -1.452 12.941 -5.552 111 H ARG 15 HN ARG 15 -6.735 10.243 -10.589 112 HA ARG 15 HA ARG 15 -5.581 9.072 -12.863 113 HB2 ARG 15 2HB ARG 15 -8.361 10.044 -12.247 114 HB3 ARG 15 1HB ARG 15 -7.963 9.327 -13.800 115 HG2 ARG 15 2HG ARG 15 -7.406 7.929 -11.214 116 HG3 ARG 15 1HG ARG 15 -8.959 7.814 -12.036 117 HD2 ARG 15 2HD ARG 15 -6.281 7.074 -13.210 118 HD3 ARG 15 1HD ARG 15 -7.483 5.938 -12.601 119 HE ARG 15 HE ARG 15 -8.331 7.746 -14.729 120 HH11 ARG 15 1HH1 ARG 15 -7.265 4.542 -13.805 121 HH12 ARG 15 2HH1 ARG 15 -7.855 3.777 -15.249 122 HH21 ARG 15 1HH2 ARG 15 -9.089 6.772 -16.639 123 HH22 ARG 15 2HH2 ARG 15 -8.890 5.059 -16.883 124 H SER 16 HN SER 16 -6.727 12.327 -12.258 125 HA SER 16 HA SER 16 -6.616 13.263 -14.913 126 HB2 SER 16 2HB SER 16 -6.231 14.873 -12.384 127 HB3 SER 16 1HB SER 16 -6.861 15.429 -13.930 128 HG SER 16 HG SER 16 -8.425 13.480 -13.353 129 H SER 17 HN SER 17 -4.255 12.950 -12.351 130 HA SER 17 HA SER 17 -2.212 14.456 -13.692 131 HB2 SER 17 2HB SER 17 -1.882 12.535 -11.379 132 HB3 SER 17 1HB SER 17 -0.864 13.909 -11.797 133 HG SER 17 HG SER 17 -2.791 15.234 -11.398 134 H TRP 18 HN TRP 18 -3.199 11.135 -13.336 135 HA TRP 18 HA TRP 18 -0.889 10.157 -14.828 136 HB2 TRP 18 2HB TRP 18 -3.173 8.685 -13.495 137 HB3 TRP 18 1HB TRP 18 -1.820 7.912 -14.312 138 HD1 TRP 18 1HD TRP 18 0.277 10.165 -12.936 139 HE1 TRP 18 1HE TRP 18 1.032 9.652 -10.531 140 HE3 TRP 18 3HE TRP 18 -3.454 6.941 -11.596 141 HZ2 TRP 18 2HZ TRP 18 0.156 8.078 -8.357 142 HZ3 TRP 18 3HZ TRP 18 -3.414 5.960 -9.345 143 HH2 TRP 18 2HH TRP 18 -1.650 6.525 -7.751 144 H LYS 19 HN LYS 19 -2.339 11.772 -16.380 145 HA LYS 19 HA LYS 19 -3.934 10.004 -18.080 146 HB2 LYS 19 2HB LYS 19 -5.351 11.724 -17.024 147 HB3 LYS 19 1HB LYS 19 -4.274 12.976 -17.626 148 HG2 LYS 19 2HG LYS 19 -4.859 12.360 -19.925 149 HG3 LYS 19 1HG LYS 19 -5.961 11.128 -19.303 150 HD2 LYS 19 2HD LYS 19 -7.301 12.822 -18.222 151 HD3 LYS 19 1HD LYS 19 -6.159 14.076 -18.706 152 HE2 LYS 19 2HE LYS 19 -6.640 13.580 -21.062 153 HE3 LYS 19 1HE LYS 19 -7.815 12.368 -20.557 154 HZ1 LYS 19 3HZ LYS 19 -8.773 14.563 -21.152 155 HZ2 LYS 19 1HZ LYS 19 -7.985 15.231 -19.810 156 HZ3 LYS 19 2HZ LYS 19 -9.175 14.039 -19.587 157 H ASN 20 HN ASN 20 -1.821 10.504 -20.610 158 HA ASN 20 HA ASN 20 -4.075 9.311 -19.177 159 HB2 ASN 20 2HB ASN 20 -4.706 8.256 -21.362 160 HB3 ASN 20 1HB ASN 20 -4.846 10.008 -21.336 161 HD21 ASN 20 1HD2 ASN 20 -4.653 10.328 -23.493 162 HD22 ASN 20 2HD2 ASN 20 -3.198 10.028 -24.383 163 H THR 21 HN THR 21 -1.144 8.939 -18.839 164 HA THR 21 HA THR 21 -0.308 6.422 -19.763 165 HB THR 21 HB THR 21 1.239 6.513 -17.762 166 HG1 THR 21 1HG THR 21 -0.564 8.208 -16.901 167 HG21 THR 21 3HG2 THR 21 1.113 8.950 -19.546 168 HG22 THR 21 1HG2 THR 21 1.897 7.418 -19.931 169 HG23 THR 21 2HG2 THR 21 2.521 8.425 -18.624 170 H LYS 22 HN LYS 22 -0.796 4.384 -19.125 171 HA LYS 22 HA LYS 22 -3.007 4.187 -17.248 172 HB2 LYS 22 2HB LYS 22 -1.915 2.351 -19.349 173 HB3 LYS 22 1HB LYS 22 -3.077 1.791 -18.155 174 HG2 LYS 22 2HG LYS 22 -4.636 3.552 -18.877 175 HG3 LYS 22 1HG LYS 22 -3.476 4.049 -20.107 176 HD2 LYS 22 2HD LYS 22 -4.648 1.279 -19.932 177 HD3 LYS 22 1HD LYS 22 -5.326 2.569 -20.926 178 HE2 LYS 22 2HE LYS 22 -3.219 2.731 -22.154 179 HE3 LYS 22 1HE LYS 22 -2.534 1.449 -21.154 180 HZ1 LYS 22 3HZ LYS 22 -4.104 -0.099 -22.023 181 HZ2 LYS 22 1HZ LYS 22 -3.371 0.684 -23.339 182 HZ3 LYS 22 2HZ LYS 22 -4.942 1.114 -22.862 183 H HIS 23 HN HIS 23 0.031 4.273 -16.513 184 HA HIS 23 HA HIS 23 0.442 1.970 -14.960 185 HB2 HIS 23 2HB HIS 23 2.005 3.247 -13.610 186 HB3 HIS 23 1HB HIS 23 2.251 3.579 -15.313 187 HD1 HIS 23 1HD HIS 23 2.533 5.261 -12.348 188 HD2 HIS 23 2HD HIS 23 0.515 6.140 -15.871 189 HE1 HIS 23 1HE HIS 23 2.277 7.756 -12.371 190 HE2 HIS 23 2HE HIS 23 1.318 8.273 -14.642 191 H ALA 24 HN ALA 24 -1.646 4.688 -14.510 192 HA ALA 24 HA ALA 24 -2.429 4.407 -11.848 193 HB1 ALA 24 1HB ALA 24 -4.161 5.019 -14.246 194 HB2 ALA 24 2HB ALA 24 -3.222 6.190 -13.324 195 HB3 ALA 24 3HB ALA 24 -4.572 5.345 -12.564 196 H ASP 25 HN ASP 25 -3.293 2.523 -14.693 197 HA ASP 25 HA ASP 25 -5.315 0.930 -13.476 198 HB2 ASP 25 2HB ASP 25 -5.203 1.184 -15.893 199 HB3 ASP 25 1HB ASP 25 -3.599 0.472 -15.924 200 H GLN 26 HN GLN 26 -1.892 0.465 -14.158 201 HA GLN 26 HA GLN 26 -1.548 -2.081 -13.088 202 HB2 GLN 26 2HB GLN 26 0.370 0.256 -13.139 203 HB3 GLN 26 1HB GLN 26 0.819 -1.410 -12.828 204 HG2 GLN 26 2HG GLN 26 0.214 -2.066 -15.042 205 HG3 GLN 26 1HG GLN 26 -0.484 -0.480 -15.369 206 HE21 GLN 26 1HE2 GLN 26 0.822 -0.160 -17.135 207 HE22 GLN 26 2HE2 GLN 26 2.516 0.197 -16.995 208 H TRP 27 HN TRP 27 -1.357 1.104 -11.535 209 HA TRP 27 HA TRP 27 -0.701 0.362 -8.941 210 HB2 TRP 27 2HB TRP 27 -2.257 2.593 -10.157 211 HB3 TRP 27 1HB TRP 27 -2.390 2.361 -8.419 212 HD1 TRP 27 1HD TRP 27 0.426 2.907 -11.061 213 HE1 TRP 27 1HE TRP 27 2.284 4.292 -9.917 214 HE3 TRP 27 3HE TRP 27 -1.522 3.166 -6.338 215 HZ2 TRP 27 2HZ TRP 27 2.842 5.349 -7.355 216 HZ3 TRP 27 3HZ TRP 27 -0.273 4.383 -4.603 217 HH2 TRP 27 2HH TRP 27 1.866 5.452 -5.099 218 H THR 28 HN THR 28 -3.921 0.654 -10.398 219 HA THR 28 HA THR 28 -5.375 -0.090 -8.117 220 HB THR 28 HB THR 28 -6.221 -0.453 -10.998 221 HG1 THR 28 1HG THR 28 -5.547 1.695 -10.652 222 HG21 THR 28 3HG2 THR 28 -8.484 -0.105 -10.108 223 HG22 THR 28 1HG2 THR 28 -7.824 -0.004 -8.477 224 HG23 THR 28 2HG2 THR 28 -7.715 -1.515 -9.380 225 H ASN 29 HN ASN 29 -4.308 -1.985 -10.928 226 HA ASN 29 HA ASN 29 -5.585 -4.367 -10.202 227 HB2 ASN 29 2HB ASN 29 -3.460 -3.588 -12.125 228 HB3 ASN 29 1HB ASN 29 -3.660 -5.295 -11.771 229 HD21 ASN 29 1HD2 ASN 29 -4.176 -3.757 -14.223 230 HD22 ASN 29 2HD2 ASN 29 -5.831 -4.059 -14.625 231 H THR 30 HN THR 30 -2.252 -3.271 -9.601 232 HA THR 30 HA THR 30 -1.340 -5.713 -8.540 233 HB THR 30 HB THR 30 0.418 -4.263 -7.397 234 HG1 THR 30 1HG THR 30 -0.685 -2.207 -9.033 235 HG21 THR 30 3HG2 THR 30 1.550 -3.767 -9.514 236 HG22 THR 30 1HG2 THR 30 0.028 -3.990 -10.378 237 HG23 THR 30 2HG2 THR 30 0.782 -5.353 -9.552 238 H ILE 31 HN ILE 31 -2.599 -2.806 -6.910 239 HA ILE 31 HA ILE 31 -2.335 -3.843 -4.297 240 HB ILE 31 HB ILE 31 -4.205 -1.695 -5.307 241 HG12 ILE 31 2HG1 ILE 31 -1.504 -1.468 -3.964 242 HG13 ILE 31 1HG1 ILE 31 -1.784 -1.268 -5.688 243 HG21 ILE 31 1HG2 ILE 31 -3.340 -2.337 -2.488 244 HG22 ILE 31 2HG2 ILE 31 -4.952 -2.580 -3.161 245 HG23 ILE 31 3HG2 ILE 31 -4.313 -0.948 -2.973 246 HD11 ILE 31 3HD1 ILE 31 -3.196 0.666 -5.241 247 HD12 ILE 31 1HD1 ILE 31 -1.579 0.874 -4.564 248 HD13 ILE 31 2HD1 ILE 31 -2.931 0.459 -3.508 249 H LYS 32 HN LYS 32 -5.010 -3.850 -6.611 250 HA LYS 32 HA LYS 32 -6.961 -4.955 -4.914 251 HB2 LYS 32 2HB LYS 32 -7.145 -3.902 -7.297 252 HB3 LYS 32 1HB LYS 32 -6.867 -5.540 -7.858 253 HG2 LYS 32 2HG LYS 32 -9.098 -4.805 -5.976 254 HG3 LYS 32 1HG LYS 32 -9.269 -4.814 -7.731 255 HD2 LYS 32 2HD LYS 32 -8.658 -7.189 -7.767 256 HD3 LYS 32 1HD LYS 32 -8.510 -7.173 -6.008 257 HE2 LYS 32 2HE LYS 32 -10.648 -8.088 -6.592 258 HE3 LYS 32 1HE LYS 32 -10.894 -6.500 -5.869 259 HZ1 LYS 32 3HZ LYS 32 -11.210 -5.559 -8.050 260 HZ2 LYS 32 1HZ LYS 32 -12.263 -6.872 -7.853 261 HZ3 LYS 32 2HZ LYS 32 -10.864 -7.045 -8.790 262 H THR 33 HN THR 33 -4.370 -6.408 -6.774 263 HA THR 33 HA THR 33 -5.405 -9.082 -6.511 264 HB THR 33 HB THR 33 -2.641 -8.185 -7.367 265 HG1 THR 33 1HG THR 33 -4.292 -7.378 -8.746 266 HG21 THR 33 3HG2 THR 33 -2.519 -10.388 -8.441 267 HG22 THR 33 1HG2 THR 33 -4.096 -10.803 -7.772 268 HG23 THR 33 2HG2 THR 33 -2.724 -10.542 -6.695 269 H TYR 34 HN TYR 34 -2.646 -7.310 -5.103 270 HA TYR 34 HA TYR 34 -1.953 -9.555 -3.440 271 HB2 TYR 34 2HB TYR 34 -0.843 -6.757 -3.620 272 HB3 TYR 34 1HB TYR 34 -0.220 -7.977 -2.514 273 HD1 TYR 34 2HD TYR 34 0.380 -10.286 -3.677 274 HD2 TYR 34 1HD TYR 34 0.187 -6.541 -5.684 275 HE1 TYR 34 2HE TYR 34 1.831 -11.172 -5.448 276 HE2 TYR 34 1HE TYR 34 1.643 -7.418 -7.465 277 HH TYR 34 HH TYR 34 2.376 -10.744 -7.773 278 H CYS 35 HN CYS 35 -3.287 -6.308 -2.817 279 HA CYS 35 HA CYS 35 -3.490 -7.000 0.022 280 HB2 CYS 35 2HB CYS 35 -3.985 -4.342 -1.333 281 HB3 CYS 35 1HB CYS 35 -3.873 -4.627 0.400 282 HG CYS 35 HG CYS 35 -1.130 -5.816 -0.603 283 H GLY 36 HN GLY 36 -5.389 -7.083 -2.712 284 HA2 GLY 36 2HA GLY 36 -7.830 -5.984 -1.997 285 HA3 GLY 36 1HA GLY 36 -7.632 -7.327 -3.109 286 HA PRO 37 HA PRO 37 -9.648 -10.092 -0.382 287 HB2 PRO 37 2HB PRO 37 -7.404 -12.003 -0.295 288 HB3 PRO 37 1HB PRO 37 -9.030 -12.205 -0.952 289 HG2 PRO 37 2HG PRO 37 -6.894 -11.985 -2.555 290 HG3 PRO 37 1HG PRO 37 -8.467 -11.295 -2.997 291 HD2 PRO 37 2HD PRO 37 -6.038 -9.926 -1.897 292 HD3 PRO 37 1HD PRO 37 -7.146 -9.396 -3.180 293 H VAL 38 HN VAL 38 -6.625 -8.872 0.591 294 HA VAL 38 HA VAL 38 -6.694 -10.151 3.202 295 HB VAL 38 HB VAL 38 -4.716 -8.112 2.174 296 HG11 VAL 38 1HG1 VAL 38 -4.626 -10.005 4.524 297 HG12 VAL 38 2HG1 VAL 38 -4.736 -8.246 4.589 298 HG13 VAL 38 3HG1 VAL 38 -3.276 -9.017 3.970 299 HG21 VAL 38 3HG2 VAL 38 -4.501 -11.125 2.199 300 HG22 VAL 38 1HG2 VAL 38 -3.230 -10.000 1.721 301 HG23 VAL 38 2HG2 VAL 38 -4.707 -10.118 0.765 302 H ILE 39 HN ILE 39 -6.221 -6.742 2.202 303 HA ILE 39 HA ILE 39 -7.735 -5.981 4.621 304 HB ILE 39 HB ILE 39 -6.375 -3.889 4.640 305 HG12 ILE 39 2HG1 ILE 39 -4.717 -5.351 2.570 306 HG13 ILE 39 1HG1 ILE 39 -5.712 -3.936 2.256 307 HG21 ILE 39 1HG2 ILE 39 -4.839 -6.471 4.850 308 HG22 ILE 39 2HG2 ILE 39 -5.825 -5.737 6.114 309 HG23 ILE 39 3HG2 ILE 39 -4.355 -4.931 5.561 310 HD11 ILE 39 3HD1 ILE 39 -3.326 -4.032 4.082 311 HD12 ILE 39 1HD1 ILE 39 -4.313 -2.613 3.740 312 HD13 ILE 39 2HD1 ILE 39 -3.359 -3.353 2.455 313 H GLY 40 HN GLY 40 -8.096 -6.130 1.416 314 HA2 GLY 40 2HA GLY 40 -8.748 -3.589 0.490 315 HA3 GLY 40 1HA GLY 40 -9.447 -5.081 -0.119 316 HA PRO 41 HA PRO 41 -13.299 -3.991 1.687 317 HB2 PRO 41 2HB PRO 41 -13.879 -6.526 2.947 318 HB3 PRO 41 1HB PRO 41 -14.483 -5.897 1.413 319 HG2 PRO 41 2HG PRO 41 -12.770 -8.026 1.629 320 HG3 PRO 41 1HG PRO 41 -12.875 -6.982 0.199 321 HD2 PRO 41 2HD PRO 41 -10.882 -6.949 2.435 322 HD3 PRO 41 1HD PRO 41 -10.626 -6.719 0.690 323 H LEU 42 HN LEU 42 -10.800 -4.514 3.739 324 HA LEU 42 HA LEU 42 -12.305 -4.271 6.217 325 HB2 LEU 42 2HB LEU 42 -9.332 -4.243 5.665 326 HB3 LEU 42 1HB LEU 42 -10.040 -4.115 7.264 327 HG LEU 42 HG LEU 42 -10.237 -6.494 5.416 328 HD11 LEU 42 1HD1 LEU 42 -8.791 -6.098 8.033 329 HD12 LEU 42 2HD1 LEU 42 -8.044 -6.230 6.441 330 HD13 LEU 42 3HD1 LEU 42 -8.898 -7.608 7.131 331 HD21 LEU 42 3HD2 LEU 42 -12.284 -6.184 6.729 332 HD22 LEU 42 1HD2 LEU 42 -11.322 -6.115 8.205 333 HD23 LEU 42 2HD2 LEU 42 -11.379 -7.602 7.257 334 H SER 43 HN SER 43 -12.110 -2.438 7.600 335 HA SER 43 HA SER 43 -12.330 0.042 6.405 336 HB2 SER 43 2HB SER 43 -11.403 -0.151 9.223 337 HB3 SER 43 1HB SER 43 -12.739 0.752 8.528 338 HG SER 43 HG SER 43 -12.784 -1.640 9.723 339 H VAL 44 HN VAL 44 -10.932 1.759 6.149 340 HA VAL 44 HA VAL 44 -8.180 1.188 5.790 341 HB VAL 44 HB VAL 44 -9.392 2.948 4.530 342 HG11 VAL 44 1HG1 VAL 44 -9.254 4.498 7.107 343 HG12 VAL 44 2HG1 VAL 44 -10.715 3.891 6.325 344 HG13 VAL 44 3HG1 VAL 44 -9.747 5.144 5.543 345 HG21 VAL 44 3HG2 VAL 44 -6.965 3.925 6.027 346 HG22 VAL 44 1HG2 VAL 44 -7.587 4.601 4.521 347 HG23 VAL 44 2HG2 VAL 44 -6.966 2.951 4.557 348 H GLN 45 HN GLN 45 -10.039 2.218 8.479 349 HA GLN 45 HA GLN 45 -7.800 3.159 10.046 350 HB2 GLN 45 2HB GLN 45 -10.158 4.033 10.258 351 HB3 GLN 45 1HB GLN 45 -10.602 2.486 10.963 352 HG2 GLN 45 2HG GLN 45 -10.276 3.897 12.783 353 HG3 GLN 45 1HG GLN 45 -8.794 2.945 12.694 354 HE21 GLN 45 1HE2 GLN 45 -10.232 6.061 12.236 355 HE22 GLN 45 2HE2 GLN 45 -8.753 6.960 12.158 356 H ASP 46 HN ASP 46 -9.315 0.190 9.309 357 HA ASP 46 HA ASP 46 -8.585 -1.189 11.735 358 HB2 ASP 46 2HB ASP 46 -10.102 -1.811 9.300 359 HB3 ASP 46 1HB ASP 46 -9.145 -3.159 9.903 360 H VAL 47 HN VAL 47 -7.202 -0.585 8.629 361 HA VAL 47 HA VAL 47 -5.352 -2.709 8.519 362 HB VAL 47 HB VAL 47 -5.044 0.067 7.353 363 HG11 VAL 47 1HG1 VAL 47 -3.736 -2.545 6.594 364 HG12 VAL 47 2HG1 VAL 47 -2.950 -1.185 7.396 365 HG13 VAL 47 3HG1 VAL 47 -3.547 -1.011 5.744 366 HG21 VAL 47 3HG2 VAL 47 -6.273 -2.420 6.165 367 HG22 VAL 47 1HG2 VAL 47 -5.960 -0.920 5.290 368 HG23 VAL 47 2HG2 VAL 47 -7.124 -0.942 6.615 369 H ASP 48 HN ASP 48 -3.922 -3.127 10.052 370 HA ASP 48 HA ASP 48 -2.458 -0.878 11.262 371 HB2 ASP 48 2HB ASP 48 -2.483 -1.910 13.361 372 HB3 ASP 48 1HB ASP 48 -4.104 -2.202 12.749 373 H THR 49 HN THR 49 -0.507 -2.097 12.563 374 HA THR 49 HA THR 49 1.350 -2.653 10.542 375 HB THR 49 HB THR 49 1.723 -3.401 13.436 376 HG1 THR 49 1HG THR 49 2.180 -1.239 13.834 377 HG21 THR 49 3HG2 THR 49 3.522 -4.003 11.870 378 HG22 THR 49 1HG2 THR 49 4.041 -2.752 12.999 379 HG23 THR 49 2HG2 THR 49 3.618 -2.324 11.340 380 H LYS 50 HN LYS 50 -0.470 -4.799 12.702 381 HA LYS 50 HA LYS 50 1.007 -7.145 12.180 382 HB2 LYS 50 2HB LYS 50 -0.699 -6.642 14.061 383 HB3 LYS 50 1HB LYS 50 -1.919 -7.121 12.893 384 HG2 LYS 50 2HG LYS 50 0.381 -8.914 13.568 385 HG3 LYS 50 1HG LYS 50 -1.070 -8.857 14.563 386 HD2 LYS 50 2HD LYS 50 -1.384 -9.243 11.627 387 HD3 LYS 50 1HD LYS 50 -0.798 -10.597 12.591 388 HE2 LYS 50 2HE LYS 50 -3.171 -10.788 12.426 389 HE3 LYS 50 1HE LYS 50 -2.779 -10.313 14.077 390 HZ1 LYS 50 3HZ LYS 50 -3.369 -8.028 13.513 391 HZ2 LYS 50 1HZ LYS 50 -4.667 -9.085 13.236 392 HZ3 LYS 50 2HZ LYS 50 -3.756 -8.505 11.936 393 H LEU 51 HN LEU 51 -1.973 -5.844 10.740 394 HA LEU 51 HA LEU 51 -2.393 -7.945 8.921 395 HB2 LEU 51 2HB LEU 51 -3.168 -5.036 8.816 396 HB3 LEU 51 1HB LEU 51 -3.717 -6.226 7.658 397 HG LEU 51 HG LEU 51 -4.302 -6.241 10.611 398 HD11 LEU 51 1HD1 LEU 51 -6.080 -5.708 8.241 399 HD12 LEU 51 2HD1 LEU 51 -5.498 -4.500 9.387 400 HD13 LEU 51 3HD1 LEU 51 -6.590 -5.775 9.929 401 HD21 LEU 51 3HD2 LEU 51 -5.808 -8.100 10.081 402 HD22 LEU 51 1HD2 LEU 51 -4.126 -8.501 9.730 403 HD23 LEU 51 2HD2 LEU 51 -5.227 -8.086 8.416 404 H ILE 52 HN ILE 52 -0.569 -4.939 8.684 405 HA ILE 52 HA ILE 52 0.085 -5.075 5.965 406 HB ILE 52 HB ILE 52 1.500 -3.770 8.286 407 HG12 ILE 52 2HG1 ILE 52 -0.172 -2.627 6.036 408 HG13 ILE 52 1HG1 ILE 52 -0.747 -2.925 7.674 409 HG21 ILE 52 1HG2 ILE 52 2.106 -3.435 5.351 410 HG22 ILE 52 2HG2 ILE 52 3.137 -4.238 6.533 411 HG23 ILE 52 3HG2 ILE 52 2.817 -2.509 6.674 412 HD11 ILE 52 3HD1 ILE 52 0.828 -1.290 8.535 413 HD12 ILE 52 1HD1 ILE 52 -0.211 -0.577 7.301 414 HD13 ILE 52 2HD1 ILE 52 1.452 -1.017 6.908 415 H MET 53 HN MET 53 1.744 -6.405 8.801 416 HA MET 53 HA MET 53 4.042 -7.340 7.474 417 HB2 MET 53 2HB MET 53 2.628 -8.414 9.921 418 HB3 MET 53 1HB MET 53 4.201 -8.972 9.375 419 HG2 MET 53 2HG MET 53 5.117 -6.734 9.699 420 HG3 MET 53 1HG MET 53 3.535 -6.156 10.220 421 HE1 MET 53 3HE MET 53 4.823 -5.179 12.402 422 HE2 MET 53 1HE MET 53 6.339 -5.884 11.843 423 HE3 MET 53 2HE MET 53 5.776 -6.189 13.486 424 H LYS 54 HN LYS 54 0.860 -8.799 7.939 425 HA LYS 54 HA LYS 54 1.567 -11.325 6.869 426 HB2 LYS 54 2HB LYS 54 -1.085 -9.981 7.336 427 HB3 LYS 54 1HB LYS 54 -0.960 -11.585 6.630 428 HG2 LYS 54 2HG LYS 54 0.254 -10.885 9.292 429 HG3 LYS 54 1HG LYS 54 -1.396 -11.481 9.115 430 HD2 LYS 54 2HD LYS 54 -0.066 -13.375 9.623 431 HD3 LYS 54 1HD LYS 54 -0.415 -13.470 7.896 432 HE2 LYS 54 2HE LYS 54 1.801 -12.484 7.432 433 HE3 LYS 54 1HE LYS 54 2.144 -12.491 9.159 434 HZ1 LYS 54 3HZ LYS 54 1.997 -14.886 9.169 435 HZ2 LYS 54 1HZ LYS 54 3.118 -14.392 7.995 436 HZ3 LYS 54 2HZ LYS 54 1.574 -14.911 7.527 437 H VAL 55 HN VAL 55 0.214 -8.388 5.445 438 HA VAL 55 HA VAL 55 -0.344 -9.366 2.888 439 HB VAL 55 HB VAL 55 0.677 -6.619 3.649 440 HG11 VAL 55 1HG1 VAL 55 -0.723 -7.528 1.132 441 HG12 VAL 55 2HG1 VAL 55 0.967 -7.037 1.259 442 HG13 VAL 55 3HG1 VAL 55 -0.317 -5.859 1.540 443 HG21 VAL 55 3HG2 VAL 55 -1.700 -5.979 3.547 444 HG22 VAL 55 1HG2 VAL 55 -1.377 -7.170 4.805 445 HG23 VAL 55 2HG2 VAL 55 -2.126 -7.669 3.288 446 H LEU 56 HN LEU 56 2.677 -8.231 4.304 447 HA LEU 56 HA LEU 56 4.149 -8.422 1.838 448 HB2 LEU 56 2HB LEU 56 4.923 -7.870 4.688 449 HB3 LEU 56 1HB LEU 56 6.120 -8.026 3.420 450 HG LEU 56 HG LEU 56 3.944 -5.948 3.609 451 HD11 LEU 56 1HD1 LEU 56 5.826 -4.394 3.773 452 HD12 LEU 56 2HD1 LEU 56 6.951 -5.753 3.740 453 HD13 LEU 56 3HD1 LEU 56 5.831 -5.564 5.091 454 HD21 LEU 56 3HD2 LEU 56 5.996 -6.375 1.438 455 HD22 LEU 56 1HD2 LEU 56 4.904 -4.998 1.569 456 HD23 LEU 56 2HD2 LEU 56 4.255 -6.613 1.286 457 H ASP 57 HN ASP 57 3.378 -10.552 4.408 458 HA ASP 57 HA ASP 57 5.572 -12.102 4.824 459 HB2 ASP 57 2HB ASP 57 3.259 -12.268 5.878 460 HB3 ASP 57 1HB ASP 57 2.843 -13.327 4.554 461 HA PRO 58 HA PRO 58 4.704 -15.166 1.253 462 HB2 PRO 58 2HB PRO 58 2.782 -14.701 -0.562 463 HB3 PRO 58 1HB PRO 58 2.417 -15.433 1.006 464 HG2 PRO 58 2HG PRO 58 2.119 -12.576 0.139 465 HG3 PRO 58 1HG PRO 58 0.967 -13.598 1.022 466 HD2 PRO 58 2HD PRO 58 2.577 -11.803 2.269 467 HD3 PRO 58 1HD PRO 58 2.061 -13.320 3.024 468 H ILE 59 HN ILE 59 4.600 -11.751 0.626 469 HA ILE 59 HA ILE 59 5.144 -11.877 -2.166 470 HB ILE 59 HB ILE 59 5.697 -9.520 -0.368 471 HG12 ILE 59 2HG1 ILE 59 3.429 -10.326 0.082 472 HG13 ILE 59 1HG1 ILE 59 3.380 -8.814 -0.809 473 HG21 ILE 59 1HG2 ILE 59 4.966 -9.735 -3.293 474 HG22 ILE 59 2HG2 ILE 59 6.545 -9.305 -2.633 475 HG23 ILE 59 3HG2 ILE 59 5.169 -8.230 -2.395 476 HD11 ILE 59 3HD1 ILE 59 1.713 -10.336 -1.649 477 HD12 ILE 59 1HD1 ILE 59 2.947 -11.562 -1.943 478 HD13 ILE 59 2HD1 ILE 59 2.952 -10.065 -2.876 479 H TRP 60 HN TRP 60 7.155 -11.833 0.688 480 HA TRP 60 HA TRP 60 9.564 -10.976 -0.501 481 HB2 TRP 60 2HB TRP 60 9.104 -12.766 1.894 482 HB3 TRP 60 1HB TRP 60 10.673 -12.116 1.434 483 HD1 TRP 60 1HD TRP 60 7.820 -11.385 3.606 484 HE1 TRP 60 1HE TRP 60 7.903 -8.959 4.452 485 HE3 TRP 60 3HE TRP 60 11.338 -9.522 0.403 486 HZ2 TRP 60 2HZ TRP 60 9.271 -6.571 3.844 487 HZ3 TRP 60 3HZ TRP 60 11.978 -7.155 0.598 488 HH2 TRP 60 2HH TRP 60 10.964 -5.710 2.285 489 H GLU 61 HN GLU 61 7.963 -14.074 -0.525 490 HA GLU 61 HA GLU 61 10.288 -15.531 -1.345 491 HB2 GLU 61 2HB GLU 61 7.361 -16.184 -1.141 492 HB3 GLU 61 1HB GLU 61 8.549 -17.319 -1.727 493 HG2 GLU 61 2HG GLU 61 8.442 -16.080 1.003 494 HG3 GLU 61 1HG GLU 61 8.084 -17.756 0.587 495 H GLN 62 HN GLN 62 7.784 -13.743 -2.873 496 HA GLN 62 HA GLN 62 8.341 -14.968 -5.465 497 HB2 GLN 62 2HB GLN 62 6.111 -13.245 -4.437 498 HB3 GLN 62 1HB GLN 62 6.372 -13.452 -6.161 499 HG2 GLN 62 2HG GLN 62 5.870 -15.667 -4.184 500 HG3 GLN 62 1HG GLN 62 4.688 -14.995 -5.307 501 HE21 GLN 62 1HE2 GLN 62 5.736 -17.722 -5.055 502 HE22 GLN 62 2HE2 GLN 62 6.411 -18.114 -6.606 503 H LYS 63 HN LYS 63 7.940 -11.671 -4.137 504 HA LYS 63 HA LYS 63 10.016 -10.724 -5.967 505 HB2 LYS 63 2HB LYS 63 7.232 -9.538 -5.884 506 HB3 LYS 63 1HB LYS 63 8.597 -8.863 -6.758 507 HG2 LYS 63 2HG LYS 63 8.668 -10.832 -8.192 508 HG3 LYS 63 1HG LYS 63 7.319 -11.536 -7.297 509 HD2 LYS 63 2HD LYS 63 5.900 -9.656 -7.967 510 HD3 LYS 63 1HD LYS 63 7.246 -8.962 -8.871 511 HE2 LYS 63 2HE LYS 63 5.958 -11.637 -9.391 512 HE3 LYS 63 1HE LYS 63 5.696 -10.170 -10.332 513 HZ1 LYS 63 3HZ LYS 63 8.281 -11.610 -10.035 514 HZ2 LYS 63 1HZ LYS 63 8.048 -10.184 -10.924 515 HZ3 LYS 63 2HZ LYS 63 7.289 -11.621 -11.409 516 HA PRO 64 HA PRO 64 10.416 -8.903 -1.735 517 HB2 PRO 64 2HB PRO 64 13.223 -8.734 -2.652 518 HB3 PRO 64 1HB PRO 64 12.571 -9.391 -1.150 519 HG2 PRO 64 2HG PRO 64 13.523 -10.987 -3.080 520 HG3 PRO 64 1HG PRO 64 12.129 -11.456 -2.090 521 HD2 PRO 64 2HD PRO 64 12.206 -10.424 -4.893 522 HD3 PRO 64 1HD PRO 64 11.160 -11.669 -4.176 523 H GLU 65 HN GLU 65 11.844 -7.899 -4.793 524 HA GLU 65 HA GLU 65 12.381 -5.219 -4.113 525 HB2 GLU 65 2HB GLU 65 12.949 -6.794 -6.231 526 HB3 GLU 65 1HB GLU 65 11.617 -5.870 -6.905 527 HG2 GLU 65 2HG GLU 65 14.119 -4.699 -5.715 528 HG3 GLU 65 1HG GLU 65 13.805 -4.912 -7.434 529 H THR 66 HN THR 66 9.593 -6.814 -5.571 530 HA THR 66 HA THR 66 8.123 -4.420 -6.032 531 HB THR 66 HB THR 66 7.089 -7.258 -5.887 532 HG1 THR 66 1HG THR 66 8.622 -5.888 -7.759 533 HG21 THR 66 3HG2 THR 66 5.319 -6.437 -7.368 534 HG22 THR 66 1HG2 THR 66 5.998 -4.813 -7.289 535 HG23 THR 66 2HG2 THR 66 5.322 -5.558 -5.840 536 H ALA 67 HN ALA 67 8.292 -6.764 -3.422 537 HA ALA 67 HA ALA 67 6.111 -5.916 -1.893 538 HB1 ALA 67 1HB ALA 67 8.785 -6.940 -0.927 539 HB2 ALA 67 2HB ALA 67 7.383 -7.922 -1.353 540 HB3 ALA 67 3HB ALA 67 7.311 -6.842 0.038 541 H SER 68 HN SER 68 9.400 -4.676 -2.133 542 HA SER 68 HA SER 68 9.170 -2.715 -0.098 543 HB2 SER 68 2HB SER 68 11.022 -2.781 -2.498 544 HB3 SER 68 1HB SER 68 11.236 -1.790 -1.054 545 HG SER 68 HG SER 68 11.276 -4.632 -1.206 546 H ARG 69 HN ARG 69 8.533 -2.720 -3.569 547 HA ARG 69 HA ARG 69 8.074 0.056 -3.833 548 HB2 ARG 69 2HB ARG 69 6.979 -2.218 -5.494 549 HB3 ARG 69 1HB ARG 69 7.066 -0.538 -5.969 550 HG2 ARG 69 2HG ARG 69 9.564 -0.711 -5.726 551 HG3 ARG 69 1HG ARG 69 9.325 -2.452 -5.575 552 HD2 ARG 69 2HD ARG 69 9.818 -2.023 -7.855 553 HD3 ARG 69 1HD ARG 69 8.091 -2.368 -7.758 554 HE ARG 69 HE ARG 69 8.855 0.433 -7.653 555 HH11 ARG 69 1HH1 ARG 69 7.681 -2.239 -9.576 556 HH12 ARG 69 2HH1 ARG 69 7.134 -1.234 -10.877 557 HH21 ARG 69 1HH2 ARG 69 8.123 1.771 -9.341 558 HH22 ARG 69 2HH2 ARG 69 7.401 1.053 -10.759 559 H LEU 70 HN LEU 70 5.925 -2.720 -3.343 560 HA LEU 70 HA LEU 70 3.489 -1.319 -3.386 561 HB2 LEU 70 2HB LEU 70 3.739 -3.785 -3.555 562 HB3 LEU 70 1HB LEU 70 4.168 -3.834 -1.856 563 HG LEU 70 HG LEU 70 1.924 -2.956 -1.289 564 HD11 LEU 70 1HD1 LEU 70 1.470 -1.762 -3.376 565 HD12 LEU 70 2HD1 LEU 70 0.184 -2.907 -2.992 566 HD13 LEU 70 3HD1 LEU 70 1.373 -3.300 -4.234 567 HD21 LEU 70 3HD2 LEU 70 0.713 -5.015 -1.781 568 HD22 LEU 70 1HD2 LEU 70 2.373 -5.361 -1.295 569 HD23 LEU 70 2HD2 LEU 70 1.917 -5.442 -2.996 570 H ARG 71 HN ARG 71 5.817 -1.931 -0.850 571 HA ARG 71 HA ARG 71 4.405 -1.119 1.399 572 HB2 ARG 71 2HB ARG 71 6.682 -2.133 1.375 573 HB3 ARG 71 1HB ARG 71 7.323 -0.596 0.811 574 HG2 ARG 71 2HG ARG 71 7.725 -0.759 3.151 575 HG3 ARG 71 1HG ARG 71 6.470 0.451 2.901 576 HD2 ARG 71 2HD ARG 71 5.866 -2.419 3.574 577 HD3 ARG 71 1HD ARG 71 6.112 -1.187 4.808 578 HE ARG 71 HE ARG 71 4.196 0.005 3.746 579 HH11 ARG 71 1HH1 ARG 71 4.562 -3.447 3.368 580 HH12 ARG 71 2HH1 ARG 71 2.867 -3.743 3.185 581 HH21 ARG 71 1HH2 ARG 71 1.954 -0.375 3.509 582 HH22 ARG 71 2HH2 ARG 71 1.378 -1.990 3.256 583 H GLY 72 HN GLY 72 6.339 0.829 -0.861 584 HA2 GLY 72 2HA GLY 72 5.842 3.308 0.442 585 HA3 GLY 72 1HA GLY 72 6.474 3.099 -1.184 586 H ARG 73 HN ARG 73 4.225 1.583 -2.161 587 HA ARG 73 HA ARG 73 2.588 3.716 -3.005 588 HB2 ARG 73 2HB ARG 73 2.106 0.736 -3.192 589 HB3 ARG 73 1HB ARG 73 1.141 1.957 -4.012 590 HG2 ARG 73 2HG ARG 73 3.249 2.719 -5.147 591 HG3 ARG 73 1HG ARG 73 4.039 1.294 -4.468 592 HD2 ARG 73 2HD ARG 73 2.389 -0.135 -5.635 593 HD3 ARG 73 1HD ARG 73 1.667 1.309 -6.339 594 HE ARG 73 HE ARG 73 4.384 1.358 -6.956 595 HH11 ARG 73 1HH1 ARG 73 1.594 -0.649 -7.693 596 HH12 ARG 73 2HH1 ARG 73 2.204 -1.135 -9.246 597 HH21 ARG 73 1HH2 ARG 73 5.170 0.711 -8.977 598 HH22 ARG 73 2HH2 ARG 73 4.228 -0.345 -9.983 599 H ILE 74 HN ILE 74 2.025 1.122 -0.645 600 HA ILE 74 HA ILE 74 -0.602 1.958 0.031 601 HB ILE 74 HB ILE 74 1.361 0.358 1.679 602 HG12 ILE 74 2HG1 ILE 74 -0.902 -0.510 -0.132 603 HG13 ILE 74 1HG1 ILE 74 0.813 -0.654 -0.496 604 HG21 ILE 74 1HG2 ILE 74 -0.395 1.323 3.075 605 HG22 ILE 74 2HG2 ILE 74 -0.607 -0.423 2.921 606 HG23 ILE 74 3HG2 ILE 74 -1.623 0.676 1.986 607 HD11 ILE 74 3HD1 ILE 74 1.083 -2.200 1.369 608 HD12 ILE 74 1HD1 ILE 74 -0.118 -2.778 0.211 609 HD13 ILE 74 2HD1 ILE 74 -0.636 -2.055 1.734 610 H GLU 75 HN GLU 75 2.587 2.721 1.375 611 HA GLU 75 HA GLU 75 1.834 4.311 3.555 612 HB2 GLU 75 2HB GLU 75 4.170 3.647 3.004 613 HB3 GLU 75 1HB GLU 75 4.151 4.776 1.660 614 HG2 GLU 75 2HG GLU 75 3.677 6.591 3.337 615 HG3 GLU 75 1HG GLU 75 4.016 5.401 4.591 616 H SER 76 HN SER 76 2.274 5.168 0.149 617 HA SER 76 HA SER 76 1.731 7.899 0.369 618 HB2 SER 76 2HB SER 76 1.229 6.057 -1.960 619 HB3 SER 76 1HB SER 76 1.284 7.815 -2.052 620 HG SER 76 HG SER 76 3.405 6.057 -1.332 621 H VAL 77 HN VAL 77 -0.443 5.153 -0.181 622 HA VAL 77 HA VAL 77 -2.781 6.731 -0.519 623 HB VAL 77 HB VAL 77 -2.560 3.846 0.363 624 HG11 VAL 77 1HG1 VAL 77 -4.905 5.391 -0.745 625 HG12 VAL 77 2HG1 VAL 77 -4.745 4.757 0.895 626 HG13 VAL 77 3HG1 VAL 77 -4.871 3.650 -0.473 627 HG21 VAL 77 3HG2 VAL 77 -2.984 3.308 -1.988 628 HG22 VAL 77 1HG2 VAL 77 -1.493 4.230 -1.797 629 HG23 VAL 77 2HG2 VAL 77 -2.954 5.026 -2.387 630 H LEU 78 HN LEU 78 -1.429 4.990 2.277 631 HA LEU 78 HA LEU 78 -3.524 5.631 4.050 632 HB2 LEU 78 2HB LEU 78 -0.655 4.887 4.598 633 HB3 LEU 78 1HB LEU 78 -1.866 5.080 5.853 634 HG LEU 78 HG LEU 78 -1.887 3.022 3.644 635 HD11 LEU 78 1HD1 LEU 78 -0.307 2.558 5.446 636 HD12 LEU 78 2HD1 LEU 78 -1.661 1.426 5.471 637 HD13 LEU 78 3HD1 LEU 78 -1.599 2.754 6.632 638 HD21 LEU 78 3HD2 LEU 78 -4.153 3.808 4.140 639 HD22 LEU 78 1HD2 LEU 78 -3.888 3.487 5.854 640 HD23 LEU 78 2HD2 LEU 78 -3.905 2.153 4.698 641 H ASP 79 HN ASP 79 -0.495 7.293 3.302 642 HA ASP 79 HA ASP 79 -0.708 9.244 5.348 643 HB2 ASP 79 2HB ASP 79 1.400 8.820 4.123 644 HB3 ASP 79 1HB ASP 79 0.676 9.489 2.663 645 H TRP 80 HN TRP 80 -1.772 9.147 1.993 646 HA TRP 80 HA TRP 80 -2.905 11.703 1.812 647 HB2 TRP 80 2HB TRP 80 -2.545 10.238 -0.122 648 HB3 TRP 80 1HB TRP 80 -3.739 9.106 0.494 649 HD1 TRP 80 1HD TRP 80 -3.486 12.591 -1.118 650 HE1 TRP 80 1HE TRP 80 -5.766 13.161 -2.172 651 HE3 TRP 80 3HE TRP 80 -6.186 8.606 0.609 652 HZ2 TRP 80 2HZ TRP 80 -8.366 12.050 -2.256 653 HZ3 TRP 80 3HZ TRP 80 -8.559 8.434 -0.005 654 HH2 TRP 80 2HH TRP 80 -9.625 10.122 -1.408 655 H ALA 81 HN ALA 81 -4.283 8.605 2.834 656 HA ALA 81 HA ALA 81 -6.866 9.531 3.454 657 HB1 ALA 81 1HB ALA 81 -6.331 7.162 3.213 658 HB2 ALA 81 2HB ALA 81 -7.080 7.487 4.776 659 HB3 ALA 81 3HB ALA 81 -5.340 7.233 4.672 660 H THR 82 HN THR 82 -3.862 9.596 5.224 661 HA THR 82 HA THR 82 -4.934 10.230 7.775 662 HB THR 82 HB THR 82 -2.176 10.836 6.676 663 HG1 THR 82 1HG THR 82 -2.730 8.582 6.637 664 HG21 THR 82 3HG2 THR 82 -2.694 12.094 8.711 665 HG22 THR 82 1HG2 THR 82 -1.485 10.849 9.023 666 HG23 THR 82 2HG2 THR 82 -3.158 10.595 9.520 667 H VAL 83 HN VAL 83 -3.910 12.155 5.002 668 HA VAL 83 HA VAL 83 -4.242 14.691 6.313 669 HB VAL 83 HB VAL 83 -4.171 14.078 3.345 670 HG11 VAL 83 1HG1 VAL 83 -3.778 16.666 4.851 671 HG12 VAL 83 2HG1 VAL 83 -5.139 16.256 3.807 672 HG13 VAL 83 3HG1 VAL 83 -3.527 16.447 3.118 673 HG21 VAL 83 3HG2 VAL 83 -1.812 14.739 3.471 674 HG22 VAL 83 1HG2 VAL 83 -2.146 13.314 4.453 675 HG23 VAL 83 2HG2 VAL 83 -1.953 14.888 5.223 676 H ARG 84 HN ARG 84 -6.174 12.678 4.153 677 HA ARG 84 HA ARG 84 -8.342 14.503 3.910 678 HB2 ARG 84 2HB ARG 84 -8.091 11.545 3.410 679 HB3 ARG 84 1HB ARG 84 -9.590 12.422 3.142 680 HG2 ARG 84 2HG ARG 84 -6.961 12.991 1.791 681 HG3 ARG 84 1HG ARG 84 -8.327 12.129 1.077 682 HD2 ARG 84 2HD ARG 84 -8.202 15.014 1.928 683 HD3 ARG 84 1HD ARG 84 -8.409 14.379 0.296 684 HE ARG 84 HE ARG 84 -10.560 13.385 1.505 685 HH11 ARG 84 1HH1 ARG 84 -9.186 16.602 1.537 686 HH12 ARG 84 2HH1 ARG 84 -10.709 17.389 1.854 687 HH21 ARG 84 1HH2 ARG 84 -12.564 14.402 1.944 688 HH22 ARG 84 2HH2 ARG 84 -12.634 16.133 2.086 689 H GLY 85 HN GLY 85 -7.439 12.195 6.315 690 HA2 GLY 85 2HA GLY 85 -8.271 12.164 8.498 691 HA3 GLY 85 1HA GLY 85 -9.665 13.086 7.960 692 H TYR 86 HN TYR 86 -8.587 10.152 6.367 693 HA TYR 86 HA TYR 86 -11.143 8.918 7.011 694 HB2 TYR 86 2HB TYR 86 -8.907 8.040 5.170 695 HB3 TYR 86 1HB TYR 86 -10.386 7.121 5.433 696 HD1 TYR 86 2HD TYR 86 -12.520 8.972 5.363 697 HD2 TYR 86 1HD TYR 86 -8.931 9.034 3.082 698 HE1 TYR 86 2HE TYR 86 -13.654 10.295 3.632 699 HE2 TYR 86 1HE TYR 86 -10.054 10.368 1.346 700 HH TYR 86 HH TYR 86 -13.126 11.818 1.846 701 H ARG 87 HN ARG 87 -7.803 8.715 7.866 702 HA ARG 87 HA ARG 87 -8.586 6.924 10.020 703 HB2 ARG 87 2HB ARG 87 -6.557 5.575 9.832 704 HB3 ARG 87 1HB ARG 87 -7.552 5.426 8.394 705 HG2 ARG 87 2HG ARG 87 -6.067 6.767 7.122 706 HG3 ARG 87 1HG ARG 87 -5.179 7.262 8.567 707 HD2 ARG 87 2HD ARG 87 -5.374 4.411 7.608 708 HD3 ARG 87 1HD ARG 87 -4.050 5.497 7.188 709 HE ARG 87 HE ARG 87 -3.666 5.655 9.669 710 HH11 ARG 87 1HH1 ARG 87 -5.167 2.808 8.258 711 HH12 ARG 87 2HH1 ARG 87 -4.577 1.738 9.492 712 HH21 ARG 87 1HH2 ARG 87 -2.920 4.240 11.291 713 HH22 ARG 87 2HH2 ARG 87 -3.335 2.555 11.223 714 H GLU 88 HN GLU 88 -6.577 6.802 11.607 715 HA GLU 88 HA GLU 88 -6.279 9.506 12.456 716 HB2 GLU 88 2HB GLU 88 -5.015 6.991 13.550 717 HB3 GLU 88 1HB GLU 88 -5.070 8.550 14.362 718 HG2 GLU 88 2HG GLU 88 -7.369 6.727 13.718 719 HG3 GLU 88 1HG GLU 88 -6.766 7.200 15.306 720 H GLY 89 HN GLY 89 -4.024 10.174 13.343 721 HA2 GLY 89 2HA GLY 89 -2.420 10.628 11.019 722 HA3 GLY 89 1HA GLY 89 -2.107 11.218 12.637 723 H ASP 90 HN ASP 90 -2.516 7.855 12.251 724 HA ASP 90 HA ASP 90 0.375 7.453 12.501 725 HB2 ASP 90 2HB ASP 90 -1.903 5.681 13.376 726 HB3 ASP 90 1HB ASP 90 -0.208 5.280 13.520 727 H ASN 91 HN ASN 91 1.354 6.559 10.848 728 HA ASN 91 HA ASN 91 -0.199 4.913 8.956 729 HB2 ASN 91 2HB ASN 91 0.679 7.032 7.950 730 HB3 ASN 91 1HB ASN 91 2.313 6.485 8.313 731 HD21 ASN 91 1HD2 ASN 91 1.307 7.087 5.698 732 HD22 ASN 91 2HD2 ASN 91 1.369 5.638 4.775 733 HA PRO 92 HA PRO 92 2.681 2.031 11.077 734 HB2 PRO 92 2HB PRO 92 1.217 -0.190 10.435 735 HB3 PRO 92 1HB PRO 92 0.909 0.825 11.846 736 HG2 PRO 92 2HG PRO 92 -0.457 0.832 9.182 737 HG3 PRO 92 1HG PRO 92 -1.165 0.951 10.805 738 HD2 PRO 92 2HD PRO 92 -0.821 3.113 9.255 739 HD3 PRO 92 1HD PRO 92 -0.619 3.187 11.018 740 H ALA 93 HN ALA 93 1.851 2.484 7.826 741 HA ALA 93 HA ALA 93 3.252 0.153 6.830 742 HB1 ALA 93 1HB ALA 93 2.617 0.915 4.625 743 HB2 ALA 93 2HB ALA 93 2.052 2.449 5.289 744 HB3 ALA 93 3HB ALA 93 1.220 0.948 5.702 745 H ARG 94 HN ARG 94 4.141 3.263 7.811 746 HA ARG 94 HA ARG 94 6.326 3.518 5.947 747 HB2 ARG 94 2HB ARG 94 6.919 5.521 7.182 748 HB3 ARG 94 1HB ARG 94 5.213 5.521 6.803 749 HG2 ARG 94 2HG ARG 94 5.068 6.220 8.937 750 HG3 ARG 94 1HG ARG 94 5.090 4.486 9.257 751 HD2 ARG 94 2HD ARG 94 7.459 4.557 9.712 752 HD3 ARG 94 1HD ARG 94 7.527 6.259 9.251 753 HE ARG 94 HE ARG 94 5.660 5.809 11.364 754 HH11 ARG 94 1HH1 ARG 94 9.092 6.162 10.688 755 HH12 ARG 94 2HH1 ARG 94 9.464 6.756 12.280 756 HH21 ARG 94 1HH2 ARG 94 6.172 6.551 13.469 757 HH22 ARG 94 2HH2 ARG 94 7.817 6.961 13.851 758 H TRP 95 HN TRP 95 5.778 2.315 9.160 759 HA TRP 95 HA TRP 95 6.946 0.855 10.447 760 HB2 TRP 95 2HB TRP 95 7.736 0.292 7.811 761 HB3 TRP 95 1HB TRP 95 9.214 0.298 8.771 762 HD1 TRP 95 1HD TRP 95 8.632 -1.112 11.306 763 HE1 TRP 95 1HE TRP 95 7.776 -3.533 11.434 764 HE3 TRP 95 3HE TRP 95 6.602 -1.476 6.643 765 HZ2 TRP 95 2HZ TRP 95 6.386 -5.351 9.769 766 HZ3 TRP 95 3HZ TRP 95 5.519 -3.580 5.986 767 HH2 TRP 95 2HH TRP 95 5.413 -5.480 7.516 768 H ARG 96 HN ARG 96 8.672 0.749 11.899 769 HA ARG 96 HA ARG 96 10.404 3.059 12.007 770 HB2 ARG 96 2HB ARG 96 10.157 0.622 13.771 771 HB3 ARG 96 1HB ARG 96 11.277 1.940 14.070 772 HG2 ARG 96 2HG ARG 96 9.346 3.487 14.226 773 HG3 ARG 96 1HG ARG 96 8.272 2.093 14.061 774 HD2 ARG 96 2HD ARG 96 8.607 2.755 16.413 775 HD3 ARG 96 1HD ARG 96 9.173 1.116 16.082 776 HE ARG 96 HE ARG 96 11.272 3.010 15.787 777 HH11 ARG 96 1HH1 ARG 96 9.435 1.262 18.232 778 HH12 ARG 96 2HH1 ARG 96 10.720 1.346 19.407 779 HH21 ARG 96 1HH2 ARG 96 12.923 3.081 17.297 780 HH22 ARG 96 2HH2 ARG 96 12.707 2.374 18.873 781 H GLY 97 HN GLY 97 10.554 -0.309 11.166 782 HA2 GLY 97 2HA GLY 97 12.462 -0.444 9.369 783 HA3 GLY 97 1HA GLY 97 13.454 -0.182 10.796 784 H TYR 98 HN TYR 98 10.765 -2.280 9.746 785 HA TYR 98 HA TYR 98 12.254 -4.559 10.858 786 HB2 TYR 98 2HB TYR 98 10.130 -3.786 12.128 787 HB3 TYR 98 1HB TYR 98 9.253 -4.485 10.774 788 HD1 TYR 98 1HD TYR 98 11.906 -5.370 13.245 789 HD2 TYR 98 2HD TYR 98 8.616 -6.716 10.904 790 HE1 TYR 98 1HE TYR 98 12.024 -7.559 14.351 791 HE2 TYR 98 2HE TYR 98 8.735 -8.919 11.997 792 HH TYR 98 HH TYR 98 10.251 -10.299 13.218 793 H LEU 99 HN LEU 99 12.023 -6.527 9.674 794 HA LEU 99 HA LEU 99 12.028 -7.800 7.854 795 HB2 LEU 99 2HB LEU 99 9.945 -5.899 6.805 796 HB3 LEU 99 1HB LEU 99 10.369 -7.456 6.145 797 HG LEU 99 HG LEU 99 9.145 -7.017 8.854 798 HD11 LEU 99 1HD1 LEU 99 7.155 -8.062 7.881 799 HD12 LEU 99 2HD1 LEU 99 7.946 -8.087 6.305 800 HD13 LEU 99 3HD1 LEU 99 7.564 -6.548 7.076 801 HD21 LEU 99 3HD2 LEU 99 9.799 -9.558 7.363 802 HD22 LEU 99 1HD2 LEU 99 8.881 -9.464 8.867 803 HD23 LEU 99 2HD2 LEU 99 10.574 -8.974 8.835 804 H GLU 100 HN GLU 100 12.100 -4.335 7.162 805 HA GLU 100 HA GLU 100 13.746 -4.643 4.827 806 HB2 GLU 100 2HB GLU 100 12.297 -2.699 5.033 807 HB3 GLU 100 1HB GLU 100 13.079 -2.234 6.535 808 HG2 GLU 100 2HG GLU 100 13.877 -0.813 4.802 809 HG3 GLU 100 1HG GLU 100 15.186 -1.894 5.269 810 H HIS 101 HN HIS 101 15.919 -4.759 4.738 811 HA HIS 101 HA HIS 101 17.443 -5.008 7.143 812 HB2 HIS 101 2HB HIS 101 18.222 -4.927 4.232 813 HB3 HIS 101 1HB HIS 101 19.417 -5.032 5.519 814 HD1 HIS 101 1HD HIS 101 17.424 -7.089 3.341 815 HD2 HIS 101 2HD HIS 101 18.965 -7.449 7.192 816 HE1 HIS 101 1HE HIS 101 17.391 -9.555 3.863 817 HE2 HIS 101 2HE HIS 101 18.475 -9.758 6.127 818 H HIS 102 HN HIS 102 18.940 -3.619 8.024 819 HA HIS 102 HA HIS 102 18.517 -0.820 7.343 820 HB2 HIS 102 2HB HIS 102 18.543 -1.697 9.729 821 HB3 HIS 102 1HB HIS 102 20.280 -1.917 9.539 822 HD1 HIS 102 1HD HIS 102 17.771 0.546 10.480 823 HD2 HIS 102 2HD HIS 102 21.672 0.630 9.028 824 HE1 HIS 102 1HE HIS 102 18.625 2.863 10.958 825 HE2 HIS 102 2HE HIS 102 20.893 2.955 9.864 826 H HIS 103 HN HIS 103 21.183 -3.159 7.513 827 HA HIS 103 HA HIS 103 22.574 -1.495 5.531 828 HB2 HIS 103 2HB HIS 103 23.562 -1.019 7.764 829 HB3 HIS 103 1HB HIS 103 23.984 -2.724 7.905 830 HD1 HIS 103 1HD HIS 103 24.746 0.293 5.757 831 HD2 HIS 103 2HD HIS 103 26.350 -3.422 6.717 832 HE1 HIS 103 1HE HIS 103 27.020 0.232 4.675 833 HE2 HIS 103 2HE HIS 103 27.837 -2.126 5.043 834 H HIS 104 HN HIS 104 23.388 -4.507 7.273 835 HA HIS 104 HA HIS 104 23.862 -5.699 4.619 836 HB2 HIS 104 2HB HIS 104 25.915 -5.228 5.989 837 HB3 HIS 104 1HB HIS 104 25.319 -6.370 7.187 838 HD1 HIS 104 1HD HIS 104 26.133 -6.392 3.464 839 HD2 HIS 104 2HD HIS 104 26.307 -8.865 6.806 840 HE1 HIS 104 1HE HIS 104 27.278 -8.499 2.693 841 HE2 HIS 104 2HE HIS 104 27.235 -10.034 4.693 842 H HIS 105 HN HIS 105 24.017 -7.394 7.702 843 HA HIS 105 HA HIS 105 21.859 -9.147 6.776 844 HB2 HIS 105 2HB HIS 105 24.148 -9.939 7.768 845 HB3 HIS 105 1HB HIS 105 23.410 -9.560 9.321 846 HD1 HIS 105 1HD HIS 105 23.724 -12.205 6.876 847 HD2 HIS 105 2HD HIS 105 20.931 -11.113 9.761 848 HE1 HIS 105 1HE HIS 105 22.313 -14.245 7.261 849 HE2 HIS 105 2HE HIS 105 20.492 -13.494 8.828 850 H HIS 106 HN HIS 106 22.556 -6.622 8.925 851 HA HIS 106 HA HIS 106 20.013 -6.940 10.353 852 HB2 HIS 106 2HB HIS 106 22.194 -4.874 10.780 853 HB3 HIS 106 1HB HIS 106 20.787 -5.136 11.803 854 HD1 HIS 106 1HD HIS 106 20.792 -7.356 13.259 855 HD2 HIS 106 2HD HIS 106 24.361 -6.471 11.314 856 HE1 HIS 106 1HE HIS 106 22.539 -8.799 14.351 857 HE2 HIS 106 2HE HIS 106 24.713 -8.107 13.284 Start of MODEL 9 1 H1 MET 1 H1 MET 1 -15.574 4.245 5.639 2 H2 MET 1 H2 MET 1 -14.336 3.519 6.545 3 H3 MET 1 H3 MET 1 -15.464 2.554 5.734 4 HA MET 1 HA MET 1 -14.671 3.329 3.606 5 HB2 MET 1 2HB MET 1 -13.912 5.556 4.393 6 HB3 MET 1 1HB MET 1 -12.588 4.787 5.255 7 HG2 MET 1 2HG MET 1 -11.728 5.662 3.221 8 HG3 MET 1 1HG MET 1 -11.755 3.908 3.089 9 HE1 MET 1 2HE MET 1 -13.501 7.271 2.006 10 HE2 MET 1 3HE MET 1 -14.788 6.383 2.824 11 HE3 MET 1 1HE MET 1 -14.875 6.654 1.086 12 H THR 2 HN THR 2 -13.659 1.626 2.713 13 HA THR 2 HA THR 2 -11.927 0.032 4.464 14 HB THR 2 HB THR 2 -12.150 -1.748 2.749 15 HG1 THR 2 1HG THR 2 -14.054 0.010 1.541 16 HG21 THR 2 3HG2 THR 2 -14.496 -2.285 3.209 17 HG22 THR 2 1HG2 THR 2 -14.775 -0.624 3.732 18 HG23 THR 2 2HG2 THR 2 -13.690 -1.666 4.650 19 H PHE 3 HN PHE 3 -10.006 -0.996 3.410 20 HA PHE 3 HA PHE 3 -8.262 1.037 2.571 21 HB2 PHE 3 2HB PHE 3 -7.530 -1.016 3.737 22 HB3 PHE 3 1HB PHE 3 -7.909 -1.954 2.298 23 HD1 PHE 3 1HD PHE 3 -5.714 0.718 3.609 24 HD2 PHE 3 2HD PHE 3 -6.361 -2.167 0.550 25 HE1 PHE 3 1HE PHE 3 -3.438 1.112 2.766 26 HE2 PHE 3 2HE PHE 3 -4.085 -1.774 -0.301 27 HZ PHE 3 HZ PHE 3 -2.621 -0.135 0.804 28 H SER 4 HN SER 4 -9.965 -1.475 0.746 29 HA SER 4 HA SER 4 -8.742 -0.983 -1.741 30 HB2 SER 4 2HB SER 4 -11.518 -2.049 -1.166 31 HB3 SER 4 1HB SER 4 -10.676 -2.170 -2.711 32 HG SER 4 HG SER 4 -8.963 -3.218 -1.313 33 H GLU 5 HN GLU 5 -11.669 0.368 -0.268 34 HA GLU 5 HA GLU 5 -12.487 1.911 -2.477 35 HB2 GLU 5 2HB GLU 5 -12.981 2.196 0.486 36 HB3 GLU 5 1HB GLU 5 -13.761 3.201 -0.720 37 HG2 GLU 5 2HG GLU 5 -14.828 1.288 -1.700 38 HG3 GLU 5 1HG GLU 5 -13.954 0.210 -0.613 39 H CYS 6 HN CYS 6 -10.579 2.716 0.392 40 HA CYS 6 HA CYS 6 -10.171 5.439 -0.174 41 HB2 CYS 6 2HB CYS 6 -9.738 4.216 2.004 42 HB3 CYS 6 1HB CYS 6 -8.247 3.634 1.291 43 HG CYS 6 HG CYS 6 -7.503 6.458 0.763 44 H ALA 7 HN ALA 7 -8.187 2.591 -0.850 45 HA ALA 7 HA ALA 7 -6.069 3.849 -2.165 46 HB1 ALA 7 1HB ALA 7 -7.210 1.116 -2.735 47 HB2 ALA 7 2HB ALA 7 -6.033 1.496 -1.476 48 HB3 ALA 7 3HB ALA 7 -5.603 1.687 -3.177 49 H ALA 8 HN ALA 8 -9.103 2.555 -3.486 50 HA ALA 8 HA ALA 8 -8.602 3.125 -6.183 51 HB1 ALA 8 1HB ALA 8 -10.405 1.649 -5.423 52 HB2 ALA 8 2HB ALA 8 -11.005 2.901 -6.509 53 HB3 ALA 8 3HB ALA 8 -11.267 3.041 -4.770 54 H LEU 9 HN LEU 9 -10.100 5.074 -3.630 55 HA LEU 9 HA LEU 9 -10.796 7.298 -5.195 56 HB2 LEU 9 2HB LEU 9 -10.008 7.098 -2.292 57 HB3 LEU 9 1HB LEU 9 -10.595 8.574 -3.027 58 HG LEU 9 HG LEU 9 -12.152 5.998 -2.826 59 HD11 LEU 9 1HD1 LEU 9 -13.504 7.229 -1.188 60 HD12 LEU 9 2HD1 LEU 9 -12.374 8.579 -1.283 61 HD13 LEU 9 3HD1 LEU 9 -11.838 7.022 -0.650 62 HD21 LEU 9 3HD2 LEU 9 -12.745 7.342 -4.791 63 HD22 LEU 9 1HD2 LEU 9 -13.001 8.742 -3.750 64 HD23 LEU 9 2HD2 LEU 9 -14.041 7.325 -3.595 65 H TYR 10 HN TYR 10 -7.831 6.558 -3.398 66 HA TYR 10 HA TYR 10 -6.420 8.906 -3.945 67 HB2 TYR 10 2HB TYR 10 -5.645 7.263 -2.311 68 HB3 TYR 10 1HB TYR 10 -5.379 6.086 -3.589 69 HD1 TYR 10 1HD TYR 10 -4.199 9.310 -2.216 70 HD2 TYR 10 2HD TYR 10 -3.370 6.074 -4.849 71 HE1 TYR 10 1HE TYR 10 -1.904 10.135 -2.503 72 HE2 TYR 10 2HE TYR 10 -1.070 6.890 -5.134 73 HH TYR 10 HH TYR 10 0.335 9.173 -3.146 74 H ILE 11 HN ILE 11 -6.511 5.849 -5.711 75 HA ILE 11 HA ILE 11 -4.668 6.513 -7.724 76 HB ILE 11 HB ILE 11 -6.965 4.544 -7.759 77 HG12 ILE 11 2HG1 ILE 11 -4.000 4.093 -7.357 78 HG13 ILE 11 1HG1 ILE 11 -5.166 4.214 -6.043 79 HG21 ILE 11 1HG2 ILE 11 -4.622 4.694 -9.657 80 HG22 ILE 11 2HG2 ILE 11 -6.269 5.190 -10.040 81 HG23 ILE 11 3HG2 ILE 11 -5.919 3.500 -9.672 82 HD11 ILE 11 3HD1 ILE 11 -6.338 2.255 -6.933 83 HD12 ILE 11 1HD1 ILE 11 -4.662 1.906 -6.514 84 HD13 ILE 11 2HD1 ILE 11 -5.122 2.122 -8.204 85 H LYS 12 HN LYS 12 -8.235 6.704 -7.724 86 HA LYS 12 HA LYS 12 -8.357 7.634 -10.410 87 HB2 LYS 12 2HB LYS 12 -10.411 7.613 -8.202 88 HB3 LYS 12 1HB LYS 12 -10.755 8.140 -9.845 89 HG2 LYS 12 2HG LYS 12 -10.101 5.932 -10.685 90 HG3 LYS 12 1HG LYS 12 -9.792 5.405 -9.032 91 HD2 LYS 12 2HD LYS 12 -12.461 6.343 -10.083 92 HD3 LYS 12 1HD LYS 12 -11.983 4.656 -9.896 93 HE2 LYS 12 2HE LYS 12 -11.554 5.235 -7.448 94 HE3 LYS 12 1HE LYS 12 -12.447 6.721 -7.765 95 HZ1 LYS 12 3HZ LYS 12 -13.964 5.129 -6.904 96 HZ2 LYS 12 1HZ LYS 12 -13.445 3.938 -7.995 97 HZ3 LYS 12 2HZ LYS 12 -14.307 5.285 -8.557 98 H ALA 13 HN ALA 13 -8.217 9.269 -7.293 99 HA ALA 13 HA ALA 13 -8.882 11.837 -8.413 100 HB1 ALA 13 1HB ALA 13 -9.435 11.306 -6.099 101 HB2 ALA 13 2HB ALA 13 -8.389 12.722 -6.201 102 HB3 ALA 13 3HB ALA 13 -7.719 11.163 -5.716 103 H HIS 14 HN HIS 14 -6.169 10.023 -8.769 104 HA HIS 14 HA HIS 14 -4.559 12.442 -9.229 105 HB2 HIS 14 2HB HIS 14 -3.586 9.918 -7.880 106 HB3 HIS 14 1HB HIS 14 -2.524 11.184 -8.478 107 HD1 HIS 14 1HD HIS 14 -4.577 10.215 -5.607 108 HD2 HIS 14 2HD HIS 14 -2.780 13.685 -7.032 109 HE1 HIS 14 1HE HIS 14 -4.557 11.817 -3.662 110 HE2 HIS 14 2HE HIS 14 -3.604 13.960 -4.589 111 H ARG 15 HN ARG 15 -6.100 10.160 -10.732 112 HA ARG 15 HA ARG 15 -4.112 8.790 -12.231 113 HB2 ARG 15 2HB ARG 15 -5.911 7.959 -13.587 114 HB3 ARG 15 1HB ARG 15 -6.429 7.946 -11.909 115 HG2 ARG 15 2HG ARG 15 -7.719 9.971 -12.278 116 HG3 ARG 15 1HG ARG 15 -7.168 10.028 -13.955 117 HD2 ARG 15 2HD ARG 15 -8.232 7.821 -14.327 118 HD3 ARG 15 1HD ARG 15 -8.859 7.880 -12.678 119 HE ARG 15 HE ARG 15 -9.525 10.133 -14.391 120 HH11 ARG 15 1HH1 ARG 15 -10.533 7.038 -13.096 121 HH12 ARG 15 2HH1 ARG 15 -12.219 7.336 -13.354 122 HH21 ARG 15 1HH2 ARG 15 -11.754 10.541 -14.687 123 HH22 ARG 15 2HH2 ARG 15 -12.921 9.333 -14.225 124 H SER 16 HN SER 16 -5.442 11.907 -12.422 125 HA SER 16 HA SER 16 -5.195 12.550 -15.110 126 HB2 SER 16 2HB SER 16 -4.406 14.491 -12.971 127 HB3 SER 16 1HB SER 16 -5.404 14.745 -14.399 128 HG SER 16 HG SER 16 -7.086 14.349 -13.217 129 H SER 17 HN SER 17 -2.800 12.304 -12.564 130 HA SER 17 HA SER 17 -0.669 13.479 -14.085 131 HB2 SER 17 2HB SER 17 -0.743 13.531 -11.600 132 HB3 SER 17 1HB SER 17 -0.545 11.780 -11.578 133 HG SER 17 HG SER 17 1.382 12.708 -13.095 134 H TRP 18 HN TRP 18 -2.154 10.429 -13.911 135 HA TRP 18 HA TRP 18 0.152 9.107 -15.160 136 HB2 TRP 18 2HB TRP 18 -2.314 7.812 -13.965 137 HB3 TRP 18 1HB TRP 18 -0.839 7.001 -14.483 138 HD1 TRP 18 1HD TRP 18 1.221 9.039 -13.030 139 HE1 TRP 18 1HE TRP 18 1.469 8.933 -10.466 140 HE3 TRP 18 3HE TRP 18 -3.174 6.695 -11.900 141 HZ2 TRP 18 2HZ TRP 18 -0.005 7.961 -8.265 142 HZ3 TRP 18 3HZ TRP 18 -3.676 6.205 -9.548 143 HH2 TRP 18 2HH TRP 18 -2.126 6.823 -7.765 144 H LYS 19 HN LYS 19 -1.583 10.966 -16.475 145 HA LYS 19 HA LYS 19 -2.923 9.270 -18.461 146 HB2 LYS 19 2HB LYS 19 -4.546 10.609 -17.189 147 HB3 LYS 19 1HB LYS 19 -3.614 12.061 -17.500 148 HG2 LYS 19 2HG LYS 19 -5.533 12.069 -18.913 149 HG3 LYS 19 1HG LYS 19 -4.108 11.799 -19.918 150 HD2 LYS 19 2HD LYS 19 -4.608 9.494 -20.161 151 HD3 LYS 19 1HD LYS 19 -5.830 9.554 -18.891 152 HE2 LYS 19 2HE LYS 19 -6.798 9.472 -21.163 153 HE3 LYS 19 1HE LYS 19 -7.266 10.911 -20.263 154 HZ1 LYS 19 3HZ LYS 19 -5.629 12.188 -21.482 155 HZ2 LYS 19 1HZ LYS 19 -6.682 11.418 -22.564 156 HZ3 LYS 19 2HZ LYS 19 -5.123 10.808 -22.321 157 H ASN 20 HN ASN 20 -0.762 10.396 -20.760 158 HA ASN 20 HA ASN 20 -2.950 8.751 -19.759 159 HB2 ASN 20 2HB ASN 20 -3.480 9.803 -21.922 160 HB3 ASN 20 1HB ASN 20 -2.026 9.100 -22.623 161 HD21 ASN 20 1HD2 ASN 20 -3.087 7.940 -24.159 162 HD22 ASN 20 2HD2 ASN 20 -4.086 6.573 -23.803 163 H THR 21 HN THR 21 -1.660 7.437 -18.500 164 HA THR 21 HA THR 21 0.018 5.574 -20.038 165 HB THR 21 HB THR 21 1.486 5.296 -18.082 166 HG1 THR 21 1HG THR 21 -0.364 7.085 -16.963 167 HG21 THR 21 3HG2 THR 21 1.242 8.166 -19.005 168 HG22 THR 21 1HG2 THR 21 2.185 6.891 -19.778 169 HG23 THR 21 2HG2 THR 21 2.641 7.477 -18.179 170 H LYS 22 HN LYS 22 0.177 3.429 -19.056 171 HA LYS 22 HA LYS 22 -2.356 2.532 -18.041 172 HB2 LYS 22 2HB LYS 22 0.212 1.218 -18.821 173 HB3 LYS 22 1HB LYS 22 -0.951 0.315 -17.861 174 HG2 LYS 22 2HG LYS 22 -1.815 1.690 -20.369 175 HG3 LYS 22 1HG LYS 22 -0.999 0.128 -20.440 176 HD2 LYS 22 2HD LYS 22 -3.479 0.687 -18.808 177 HD3 LYS 22 1HD LYS 22 -3.486 -0.042 -20.416 178 HE2 LYS 22 2HE LYS 22 -2.079 -1.877 -19.569 179 HE3 LYS 22 1HE LYS 22 -2.130 -1.158 -17.961 180 HZ1 LYS 22 3HZ LYS 22 -3.727 -3.016 -18.373 181 HZ2 LYS 22 1HZ LYS 22 -4.568 -1.993 -19.433 182 HZ3 LYS 22 2HZ LYS 22 -4.432 -1.597 -17.784 183 H HIS 23 HN HIS 23 0.004 4.095 -16.479 184 HA HIS 23 HA HIS 23 0.719 2.469 -14.308 185 HB2 HIS 23 2HB HIS 23 0.542 5.476 -14.536 186 HB3 HIS 23 1HB HIS 23 1.174 4.655 -13.115 187 HD1 HIS 23 1HD HIS 23 3.225 6.353 -14.137 188 HD2 HIS 23 2HD HIS 23 2.524 2.669 -15.948 189 HE1 HIS 23 1HE HIS 23 5.319 5.815 -15.418 190 HE2 HIS 23 2HE HIS 23 4.943 3.507 -16.365 191 H ALA 24 HN ALA 24 -1.983 4.748 -14.670 192 HA ALA 24 HA ALA 24 -2.991 4.590 -12.063 193 HB1 ALA 24 1HB ALA 24 -3.715 6.258 -13.712 194 HB2 ALA 24 2HB ALA 24 -5.084 5.411 -12.990 195 HB3 ALA 24 3HB ALA 24 -4.548 4.994 -14.618 196 H ASP 25 HN ASP 25 -3.551 2.550 -14.876 197 HA ASP 25 HA ASP 25 -5.578 0.938 -13.681 198 HB2 ASP 25 2HB ASP 25 -5.264 1.195 -16.142 199 HB3 ASP 25 1HB ASP 25 -3.761 0.291 -16.018 200 H GLN 26 HN GLN 26 -2.098 0.570 -14.205 201 HA GLN 26 HA GLN 26 -1.843 -2.008 -13.139 202 HB2 GLN 26 2HB GLN 26 0.172 0.233 -13.315 203 HB3 GLN 26 1HB GLN 26 0.561 -1.436 -12.951 204 HG2 GLN 26 2HG GLN 26 -0.704 -0.471 -15.498 205 HG3 GLN 26 1HG GLN 26 1.001 -0.860 -15.288 206 HE21 GLN 26 1HE2 GLN 26 0.874 -2.412 -16.919 207 HE22 GLN 26 2HE2 GLN 26 0.102 -3.946 -16.672 208 H TRP 27 HN TRP 27 -1.645 1.182 -11.594 209 HA TRP 27 HA TRP 27 -0.883 0.428 -9.026 210 HB2 TRP 27 2HB TRP 27 -2.513 2.634 -10.172 211 HB3 TRP 27 1HB TRP 27 -2.691 2.342 -8.448 212 HD1 TRP 27 1HD TRP 27 0.100 3.166 -11.004 213 HE1 TRP 27 1HE TRP 27 1.912 4.524 -9.781 214 HE3 TRP 27 3HE TRP 27 -1.806 2.957 -6.269 215 HZ2 TRP 27 2HZ TRP 27 2.460 5.390 -7.148 216 HZ3 TRP 27 3HZ TRP 27 -0.581 4.082 -4.454 217 HH2 TRP 27 2HH TRP 27 1.505 5.271 -4.886 218 H THR 28 HN THR 28 -4.137 0.619 -10.406 219 HA THR 28 HA THR 28 -5.550 -0.298 -8.173 220 HB THR 28 HB THR 28 -6.329 -0.657 -11.073 221 HG1 THR 28 1HG THR 28 -6.038 1.496 -10.910 222 HG21 THR 28 3HG2 THR 28 -8.620 -0.515 -10.209 223 HG22 THR 28 1HG2 THR 28 -7.991 -0.402 -8.565 224 HG23 THR 28 2HG2 THR 28 -7.751 -1.876 -9.501 225 H ASN 29 HN ASN 29 -4.402 -2.075 -11.049 226 HA ASN 29 HA ASN 29 -5.429 -4.571 -10.433 227 HB2 ASN 29 2HB ASN 29 -2.899 -3.833 -11.910 228 HB3 ASN 29 1HB ASN 29 -3.628 -5.425 -11.920 229 HD21 ASN 29 1HD2 ASN 29 -3.106 -3.520 -14.085 230 HD22 ASN 29 2HD2 ASN 29 -4.637 -3.231 -14.848 231 H THR 30 HN THR 30 -2.289 -3.175 -9.561 232 HA THR 30 HA THR 30 -1.214 -5.517 -8.420 233 HB THR 30 HB THR 30 -0.493 -2.691 -7.647 234 HG1 THR 30 1HG THR 30 -0.412 -2.947 -9.940 235 HG21 THR 30 3HG2 THR 30 1.109 -5.248 -7.682 236 HG22 THR 30 1HG2 THR 30 0.499 -4.428 -6.245 237 HG23 THR 30 2HG2 THR 30 1.728 -3.653 -7.247 238 H ILE 31 HN ILE 31 -2.690 -2.658 -6.862 239 HA ILE 31 HA ILE 31 -2.414 -3.640 -4.231 240 HB ILE 31 HB ILE 31 -4.345 -1.573 -5.298 241 HG12 ILE 31 2HG1 ILE 31 -1.650 -1.225 -3.959 242 HG13 ILE 31 1HG1 ILE 31 -1.943 -1.066 -5.687 243 HG21 ILE 31 1HG2 ILE 31 -4.428 -0.768 -2.962 244 HG22 ILE 31 2HG2 ILE 31 -3.494 -2.181 -2.471 245 HG23 ILE 31 3HG2 ILE 31 -5.105 -2.384 -3.160 246 HD11 ILE 31 3HD1 ILE 31 -3.453 0.813 -5.244 247 HD12 ILE 31 1HD1 ILE 31 -1.821 1.107 -4.645 248 HD13 ILE 31 2HD1 ILE 31 -3.106 0.664 -3.521 249 H LYS 32 HN LYS 32 -5.038 -3.774 -6.576 250 HA LYS 32 HA LYS 32 -7.055 -4.842 -4.955 251 HB2 LYS 32 2HB LYS 32 -7.332 -3.941 -7.269 252 HB3 LYS 32 1HB LYS 32 -6.558 -5.386 -7.888 253 HG2 LYS 32 2HG LYS 32 -8.372 -6.753 -7.015 254 HG3 LYS 32 1HG LYS 32 -9.151 -5.309 -6.364 255 HD2 LYS 32 2HD LYS 32 -9.337 -4.389 -8.618 256 HD3 LYS 32 1HD LYS 32 -8.556 -5.828 -9.273 257 HE2 LYS 32 2HE LYS 32 -10.388 -7.206 -8.445 258 HE3 LYS 32 1HE LYS 32 -11.169 -5.775 -7.772 259 HZ1 LYS 32 3HZ LYS 32 -12.104 -6.425 -9.918 260 HZ2 LYS 32 1HZ LYS 32 -10.591 -6.209 -10.652 261 HZ3 LYS 32 2HZ LYS 32 -11.405 -4.880 -9.984 262 H THR 33 HN THR 33 -4.354 -6.342 -6.603 263 HA THR 33 HA THR 33 -5.357 -9.023 -6.242 264 HB THR 33 HB THR 33 -2.659 -8.045 -7.219 265 HG1 THR 33 1HG THR 33 -4.090 -7.464 -8.760 266 HG21 THR 33 3HG2 THR 33 -3.929 -10.789 -7.376 267 HG22 THR 33 1HG2 THR 33 -2.526 -10.350 -6.402 268 HG23 THR 33 2HG2 THR 33 -2.425 -10.308 -8.161 269 H TYR 34 HN TYR 34 -2.576 -7.180 -4.945 270 HA TYR 34 HA TYR 34 -1.846 -9.395 -3.253 271 HB2 TYR 34 2HB TYR 34 -0.697 -6.623 -3.546 272 HB3 TYR 34 1HB TYR 34 -0.040 -7.843 -2.459 273 HD1 TYR 34 2HD TYR 34 0.697 -10.071 -3.497 274 HD2 TYR 34 1HD TYR 34 -0.035 -6.570 -5.796 275 HE1 TYR 34 2HE TYR 34 2.008 -11.019 -5.345 276 HE2 TYR 34 1HE TYR 34 1.271 -7.515 -7.653 277 HH TYR 34 HH TYR 34 2.091 -10.745 -7.855 278 H CYS 35 HN CYS 35 -3.106 -6.113 -2.666 279 HA CYS 35 HA CYS 35 -3.120 -6.644 0.196 280 HB2 CYS 35 2HB CYS 35 -3.954 -4.136 -1.270 281 HB3 CYS 35 1HB CYS 35 -3.617 -4.295 0.452 282 HG CYS 35 HG CYS 35 -0.863 -5.157 -0.288 283 H GLY 36 HN GLY 36 -5.256 -6.768 -2.440 284 HA2 GLY 36 2HA GLY 36 -7.682 -5.899 -1.448 285 HA3 GLY 36 1HA GLY 36 -7.494 -7.147 -2.662 286 HA PRO 37 HA PRO 37 -9.067 -10.299 -0.157 287 HB2 PRO 37 2HB PRO 37 -6.598 -11.883 0.059 288 HB3 PRO 37 1HB PRO 37 -8.124 -12.285 -0.731 289 HG2 PRO 37 2HG PRO 37 -5.900 -11.714 -2.133 290 HG3 PRO 37 1HG PRO 37 -7.517 -11.271 -2.712 291 HD2 PRO 37 2HD PRO 37 -5.423 -9.567 -1.434 292 HD3 PRO 37 1HD PRO 37 -6.536 -9.183 -2.763 293 H VAL 38 HN VAL 38 -6.164 -8.888 1.100 294 HA VAL 38 HA VAL 38 -6.496 -10.222 3.676 295 HB VAL 38 HB VAL 38 -4.300 -8.323 2.857 296 HG11 VAL 38 1HG1 VAL 38 -3.085 -9.331 4.736 297 HG12 VAL 38 2HG1 VAL 38 -4.509 -10.291 5.131 298 HG13 VAL 38 3HG1 VAL 38 -4.569 -8.533 5.261 299 HG21 VAL 38 3HG2 VAL 38 -4.256 -10.229 1.376 300 HG22 VAL 38 1HG2 VAL 38 -4.378 -11.336 2.744 301 HG23 VAL 38 2HG2 VAL 38 -2.928 -10.355 2.531 302 H ILE 39 HN ILE 39 -5.645 -6.858 2.801 303 HA ILE 39 HA ILE 39 -7.149 -6.012 5.183 304 HB ILE 39 HB ILE 39 -5.779 -3.943 5.103 305 HG12 ILE 39 2HG1 ILE 39 -4.184 -5.426 2.999 306 HG13 ILE 39 1HG1 ILE 39 -5.217 -4.035 2.690 307 HG21 ILE 39 1HG2 ILE 39 -4.213 -6.517 5.295 308 HG22 ILE 39 2HG2 ILE 39 -5.162 -5.776 6.580 309 HG23 ILE 39 3HG2 ILE 39 -3.724 -4.964 5.968 310 HD11 ILE 39 3HD1 ILE 39 -2.912 -3.354 2.792 311 HD12 ILE 39 1HD1 ILE 39 -2.740 -4.072 4.392 312 HD13 ILE 39 2HD1 ILE 39 -3.796 -2.680 4.160 313 H GLY 40 HN GLY 40 -7.603 -6.239 2.000 314 HA2 GLY 40 2HA GLY 40 -8.326 -3.746 1.042 315 HA3 GLY 40 1HA GLY 40 -9.027 -5.261 0.504 316 HA PRO 41 HA PRO 41 -12.866 -4.256 2.398 317 HB2 PRO 41 2HB PRO 41 -13.695 -6.439 3.727 318 HB3 PRO 41 1HB PRO 41 -13.516 -6.430 1.968 319 HG2 PRO 41 2HG PRO 41 -11.642 -7.487 4.053 320 HG3 PRO 41 1HG PRO 41 -12.157 -8.241 2.531 321 HD2 PRO 41 2HD PRO 41 -9.791 -6.933 2.809 322 HD3 PRO 41 1HD PRO 41 -10.682 -7.001 1.276 323 H LEU 42 HN LEU 42 -10.259 -4.423 4.364 324 HA LEU 42 HA LEU 42 -11.692 -4.128 6.876 325 HB2 LEU 42 2HB LEU 42 -8.743 -3.960 6.249 326 HB3 LEU 42 1HB LEU 42 -9.436 -3.872 7.856 327 HG LEU 42 HG LEU 42 -9.525 -6.260 6.016 328 HD11 LEU 42 1HD1 LEU 42 -8.084 -7.305 7.677 329 HD12 LEU 42 2HD1 LEU 42 -8.055 -5.806 8.608 330 HD13 LEU 42 3HD1 LEU 42 -7.327 -5.860 7.002 331 HD21 LEU 42 3HD2 LEU 42 -10.597 -5.916 8.812 332 HD22 LEU 42 1HD2 LEU 42 -10.531 -7.433 7.915 333 HD23 LEU 42 2HD2 LEU 42 -11.555 -6.115 7.346 334 H SER 43 HN SER 43 -11.537 -2.208 8.162 335 HA SER 43 HA SER 43 -11.914 0.178 6.774 336 HB2 SER 43 2HB SER 43 -11.144 -0.231 9.666 337 HB3 SER 43 1HB SER 43 -11.995 1.133 8.982 338 HG SER 43 HG SER 43 -13.383 -0.393 10.023 339 H VAL 44 HN VAL 44 -10.557 1.941 6.444 340 HA VAL 44 HA VAL 44 -7.831 1.303 5.990 341 HB VAL 44 HB VAL 44 -9.054 2.894 4.582 342 HG11 VAL 44 1HG1 VAL 44 -9.472 5.184 5.333 343 HG12 VAL 44 2HG1 VAL 44 -8.955 4.741 6.961 344 HG13 VAL 44 3HG1 VAL 44 -10.399 4.007 6.263 345 HG21 VAL 44 3HG2 VAL 44 -7.309 4.584 4.369 346 HG22 VAL 44 1HG2 VAL 44 -6.632 2.972 4.601 347 HG23 VAL 44 2HG2 VAL 44 -6.661 4.117 5.943 348 H GLN 45 HN GLN 45 -9.506 2.812 8.650 349 HA GLN 45 HA GLN 45 -7.088 3.739 9.929 350 HB2 GLN 45 2HB GLN 45 -9.319 4.807 10.291 351 HB3 GLN 45 1HB GLN 45 -9.830 3.355 11.141 352 HG2 GLN 45 2HG GLN 45 -8.140 3.702 12.830 353 HG3 GLN 45 1HG GLN 45 -7.515 5.098 11.954 354 HE21 GLN 45 1HE2 GLN 45 -7.860 6.485 13.651 355 HE22 GLN 45 2HE2 GLN 45 -9.442 6.990 14.135 356 H ASP 46 HN ASP 46 -8.816 0.805 9.676 357 HA ASP 46 HA ASP 46 -7.815 -0.309 12.161 358 HB2 ASP 46 2HB ASP 46 -9.713 -1.221 10.053 359 HB3 ASP 46 1HB ASP 46 -8.930 -2.438 11.051 360 H VAL 47 HN VAL 47 -6.399 0.266 9.311 361 HA VAL 47 HA VAL 47 -5.038 -2.218 8.898 362 HB VAL 47 HB VAL 47 -4.258 0.554 7.974 363 HG11 VAL 47 1HG1 VAL 47 -3.338 -2.154 7.010 364 HG12 VAL 47 2HG1 VAL 47 -2.380 -1.016 7.956 365 HG13 VAL 47 3HG1 VAL 47 -2.879 -0.598 6.317 366 HG21 VAL 47 3HG2 VAL 47 -5.752 -1.615 6.506 367 HG22 VAL 47 1HG2 VAL 47 -5.275 -0.049 5.852 368 HG23 VAL 47 2HG2 VAL 47 -6.464 -0.136 7.153 369 H ASP 48 HN ASP 48 -3.877 -2.980 10.548 370 HA ASP 48 HA ASP 48 -2.099 -1.173 12.019 371 HB2 ASP 48 2HB ASP 48 -3.132 -3.939 12.619 372 HB3 ASP 48 1HB ASP 48 -1.755 -3.267 13.479 373 H THR 49 HN THR 49 0.023 -2.242 12.680 374 HA THR 49 HA THR 49 1.527 -2.750 10.343 375 HB THR 49 HB THR 49 3.045 -3.618 12.532 376 HG1 THR 49 1HG THR 49 2.486 -1.464 13.786 377 HG21 THR 49 3HG2 THR 49 2.822 -0.867 11.299 378 HG22 THR 49 1HG2 THR 49 3.833 -2.187 10.714 379 HG23 THR 49 2HG2 THR 49 4.170 -1.444 12.276 380 H LYS 50 HN LYS 50 0.150 -4.804 12.835 381 HA LYS 50 HA LYS 50 1.442 -7.215 12.213 382 HB2 LYS 50 2HB LYS 50 -0.165 -6.509 14.188 383 HB3 LYS 50 1HB LYS 50 -1.412 -7.156 13.136 384 HG2 LYS 50 2HG LYS 50 1.003 -8.715 14.030 385 HG3 LYS 50 1HG LYS 50 -0.553 -8.741 14.854 386 HD2 LYS 50 2HD LYS 50 -1.617 -9.616 12.848 387 HD3 LYS 50 1HD LYS 50 -0.079 -9.547 11.985 388 HE2 LYS 50 2HE LYS 50 0.866 -11.124 13.641 389 HE3 LYS 50 1HE LYS 50 -0.722 -11.244 14.397 390 HZ1 LYS 50 3HZ LYS 50 -0.369 -13.084 12.903 391 HZ2 LYS 50 1HZ LYS 50 -0.036 -12.030 11.614 392 HZ3 LYS 50 2HZ LYS 50 -1.595 -12.088 12.283 393 H LEU 51 HN LEU 51 -1.515 -5.734 10.977 394 HA LEU 51 HA LEU 51 -2.282 -7.880 9.305 395 HB2 LEU 51 2HB LEU 51 -2.966 -4.944 9.215 396 HB3 LEU 51 1HB LEU 51 -3.753 -6.171 8.250 397 HG LEU 51 HG LEU 51 -3.803 -5.991 11.255 398 HD11 LEU 51 1HD1 LEU 51 -6.169 -5.472 10.950 399 HD12 LEU 51 2HD1 LEU 51 -5.954 -5.512 9.200 400 HD13 LEU 51 3HD1 LEU 51 -5.145 -4.272 10.158 401 HD21 LEU 51 3HD2 LEU 51 -5.427 -7.821 11.127 402 HD22 LEU 51 1HD2 LEU 51 -3.855 -8.307 10.495 403 HD23 LEU 51 2HD2 LEU 51 -5.171 -7.920 9.386 404 H ILE 52 HN ILE 52 -0.364 -4.969 8.813 405 HA ILE 52 HA ILE 52 0.020 -5.176 6.039 406 HB ILE 52 HB ILE 52 1.786 -3.980 8.179 407 HG12 ILE 52 2HG1 ILE 52 -0.105 -2.684 6.203 408 HG13 ILE 52 1HG1 ILE 52 -0.488 -3.004 7.890 409 HG21 ILE 52 1HG2 ILE 52 2.897 -2.755 6.367 410 HG22 ILE 52 2HG2 ILE 52 1.976 -3.682 5.182 411 HG23 ILE 52 3HG2 ILE 52 3.137 -4.495 6.233 412 HD11 ILE 52 3HD1 ILE 52 1.690 -1.182 6.891 413 HD12 ILE 52 1HD1 ILE 52 1.297 -1.498 8.581 414 HD13 ILE 52 2HD1 ILE 52 0.129 -0.683 7.543 415 H MET 53 HN MET 53 1.751 -6.602 8.764 416 HA MET 53 HA MET 53 3.895 -7.735 7.350 417 HB2 MET 53 2HB MET 53 2.502 -8.667 9.866 418 HB3 MET 53 1HB MET 53 4.003 -9.355 9.263 419 HG2 MET 53 2HG MET 53 5.133 -7.244 9.546 420 HG3 MET 53 1HG MET 53 3.625 -6.467 10.032 421 HE1 MET 53 3HE MET 53 6.311 -6.278 11.721 422 HE2 MET 53 1HE MET 53 5.704 -6.532 13.359 423 HE3 MET 53 2HE MET 53 4.802 -5.522 12.229 424 H LYS 54 HN LYS 54 0.623 -8.908 7.972 425 HA LYS 54 HA LYS 54 0.928 -11.517 6.989 426 HB2 LYS 54 2HB LYS 54 -1.522 -9.744 6.953 427 HB3 LYS 54 1HB LYS 54 -1.532 -11.474 6.646 428 HG2 LYS 54 2HG LYS 54 -0.622 -11.815 8.942 429 HG3 LYS 54 1HG LYS 54 -0.830 -10.085 9.221 430 HD2 LYS 54 2HD LYS 54 -2.733 -11.290 10.113 431 HD3 LYS 54 1HD LYS 54 -3.239 -10.324 8.724 432 HE2 LYS 54 2HE LYS 54 -3.086 -12.327 7.303 433 HE3 LYS 54 1HE LYS 54 -2.631 -13.279 8.713 434 HZ1 LYS 54 3HZ LYS 54 -4.773 -12.824 9.698 435 HZ2 LYS 54 1HZ LYS 54 -4.985 -13.491 8.156 436 HZ3 LYS 54 2HZ LYS 54 -5.208 -11.828 8.395 437 H VAL 55 HN VAL 55 0.265 -8.473 5.365 438 HA VAL 55 HA VAL 55 -0.335 -9.620 2.822 439 HB VAL 55 HB VAL 55 0.596 -6.808 3.408 440 HG11 VAL 55 1HG1 VAL 55 -0.639 -6.243 1.356 441 HG12 VAL 55 2HG1 VAL 55 -0.970 -7.957 1.102 442 HG13 VAL 55 3HG1 VAL 55 0.690 -7.363 1.056 443 HG21 VAL 55 3HG2 VAL 55 -1.327 -7.353 4.788 444 HG22 VAL 55 1HG2 VAL 55 -2.211 -7.899 3.363 445 HG23 VAL 55 2HG2 VAL 55 -1.763 -6.201 3.526 446 H LEU 56 HN LEU 56 2.556 -8.186 4.275 447 HA LEU 56 HA LEU 56 4.022 -8.167 1.821 448 HB2 LEU 56 2HB LEU 56 4.890 -7.744 4.673 449 HB3 LEU 56 1HB LEU 56 5.950 -7.550 3.293 450 HG LEU 56 HG LEU 56 3.473 -5.927 3.873 451 HD11 LEU 56 1HD1 LEU 56 6.404 -5.232 3.961 452 HD12 LEU 56 2HD1 LEU 56 5.311 -5.363 5.338 453 HD13 LEU 56 3HD1 LEU 56 5.080 -4.083 4.146 454 HD21 LEU 56 3HD2 LEU 56 4.133 -4.578 1.944 455 HD22 LEU 56 1HD2 LEU 56 3.785 -6.240 1.471 456 HD23 LEU 56 2HD2 LEU 56 5.457 -5.695 1.611 457 H ASP 57 HN ASP 57 3.823 -10.362 4.548 458 HA ASP 57 HA ASP 57 6.219 -11.689 4.427 459 HB2 ASP 57 2HB ASP 57 4.331 -12.037 6.082 460 HB3 ASP 57 1HB ASP 57 3.614 -13.120 4.910 461 HA PRO 58 HA PRO 58 4.551 -14.968 1.299 462 HB2 PRO 58 2HB PRO 58 2.401 -14.221 -0.232 463 HB3 PRO 58 1HB PRO 58 2.284 -15.180 1.245 464 HG2 PRO 58 2HG PRO 58 1.797 -12.271 0.827 465 HG3 PRO 58 1HG PRO 58 0.932 -13.418 1.864 466 HD2 PRO 58 2HD PRO 58 2.744 -11.635 2.812 467 HD3 PRO 58 1HD PRO 58 2.464 -13.213 3.573 468 H ILE 59 HN ILE 59 4.583 -11.559 0.631 469 HA ILE 59 HA ILE 59 5.088 -11.861 -2.190 470 HB ILE 59 HB ILE 59 5.469 -9.381 -0.502 471 HG12 ILE 59 2HG1 ILE 59 3.030 -10.280 -2.056 472 HG13 ILE 59 1HG1 ILE 59 3.173 -10.279 -0.301 473 HG21 ILE 59 1HG2 ILE 59 6.556 -9.245 -2.660 474 HG22 ILE 59 2HG2 ILE 59 5.120 -8.220 -2.658 475 HG23 ILE 59 3HG2 ILE 59 5.083 -9.787 -3.466 476 HD11 ILE 59 3HD1 ILE 59 3.370 -7.859 -0.304 477 HD12 ILE 59 1HD1 ILE 59 1.900 -8.365 -1.135 478 HD13 ILE 59 2HD1 ILE 59 3.305 -7.842 -2.066 479 H TRP 60 HN TRP 60 6.971 -11.602 0.732 480 HA TRP 60 HA TRP 60 9.441 -10.800 -0.326 481 HB2 TRP 60 2HB TRP 60 8.837 -12.593 2.034 482 HB3 TRP 60 1HB TRP 60 10.448 -12.012 1.640 483 HD1 TRP 60 1HD TRP 60 7.588 -11.191 3.741 484 HE1 TRP 60 1HE TRP 60 7.741 -8.779 4.618 485 HE3 TRP 60 3HE TRP 60 11.239 -9.424 0.633 486 HZ2 TRP 60 2HZ TRP 60 9.207 -6.439 4.069 487 HZ3 TRP 60 3HZ TRP 60 11.961 -7.084 0.878 488 HH2 TRP 60 2HH TRP 60 10.964 -5.625 2.561 489 H GLU 61 HN GLU 61 7.823 -13.884 -0.389 490 HA GLU 61 HA GLU 61 10.106 -15.464 -0.977 491 HB2 GLU 61 2HB GLU 61 7.147 -15.851 -0.969 492 HB3 GLU 61 1HB GLU 61 8.164 -17.045 -1.747 493 HG2 GLU 61 2HG GLU 61 8.409 -16.146 1.106 494 HG3 GLU 61 1HG GLU 61 7.643 -17.638 0.565 495 H GLN 62 HN GLN 62 8.094 -13.431 -2.843 496 HA GLN 62 HA GLN 62 8.967 -14.740 -5.320 497 HB2 GLN 62 2HB GLN 62 6.529 -13.138 -4.631 498 HB3 GLN 62 1HB GLN 62 7.065 -13.276 -6.298 499 HG2 GLN 62 2HG GLN 62 6.448 -15.605 -4.501 500 HG3 GLN 62 1HG GLN 62 5.331 -14.918 -5.680 501 HE21 GLN 62 1HE2 GLN 62 6.546 -17.601 -5.483 502 HE22 GLN 62 2HE2 GLN 62 7.332 -17.857 -7.011 503 H LYS 63 HN LYS 63 8.297 -11.493 -3.994 504 HA LYS 63 HA LYS 63 10.501 -10.470 -5.631 505 HB2 LYS 63 2HB LYS 63 7.841 -9.057 -5.530 506 HB3 LYS 63 1HB LYS 63 9.216 -8.692 -6.559 507 HG2 LYS 63 2HG LYS 63 8.869 -10.858 -7.711 508 HG3 LYS 63 1HG LYS 63 7.415 -11.099 -6.743 509 HD2 LYS 63 2HD LYS 63 6.610 -8.876 -7.651 510 HD3 LYS 63 1HD LYS 63 7.952 -8.967 -8.794 511 HE2 LYS 63 2HE LYS 63 5.653 -10.892 -8.512 512 HE3 LYS 63 1HE LYS 63 5.981 -9.814 -9.863 513 HZ1 LYS 63 3HZ LYS 63 7.476 -12.241 -9.071 514 HZ2 LYS 63 1HZ LYS 63 8.120 -11.097 -10.142 515 HZ3 LYS 63 2HZ LYS 63 6.693 -11.925 -10.536 516 HA PRO 64 HA PRO 64 10.751 -8.980 -1.268 517 HB2 PRO 64 2HB PRO 64 13.476 -8.552 -1.447 518 HB3 PRO 64 1HB PRO 64 12.726 -10.057 -0.906 519 HG2 PRO 64 2HG PRO 64 13.819 -9.343 -3.593 520 HG3 PRO 64 1HG PRO 64 13.942 -10.870 -2.700 521 HD2 PRO 64 2HD PRO 64 12.207 -10.567 -4.727 522 HD3 PRO 64 1HD PRO 64 11.798 -11.532 -3.292 523 H GLU 65 HN GLU 65 12.547 -7.603 -4.023 524 HA GLU 65 HA GLU 65 12.746 -5.007 -3.036 525 HB2 GLU 65 2HB GLU 65 12.760 -6.173 -5.799 526 HB3 GLU 65 1HB GLU 65 12.978 -4.464 -5.514 527 HG2 GLU 65 2HG GLU 65 14.727 -6.660 -4.453 528 HG3 GLU 65 1HG GLU 65 15.111 -5.586 -5.798 529 H THR 66 HN THR 66 10.287 -6.593 -4.999 530 HA THR 66 HA THR 66 8.826 -4.216 -5.547 531 HB THR 66 HB THR 66 7.721 -7.021 -5.664 532 HG1 THR 66 1HG THR 66 8.623 -6.454 -8.023 533 HG21 THR 66 3HG2 THR 66 6.461 -6.099 -7.580 534 HG22 THR 66 1HG2 THR 66 7.186 -4.519 -7.277 535 HG23 THR 66 2HG2 THR 66 6.112 -5.240 -6.079 536 H ALA 67 HN ALA 67 8.649 -6.719 -3.081 537 HA ALA 67 HA ALA 67 6.210 -5.999 -1.902 538 HB1 ALA 67 1HB ALA 67 7.015 -7.128 0.090 539 HB2 ALA 67 2HB ALA 67 8.669 -7.067 -0.517 540 HB3 ALA 67 3HB ALA 67 7.463 -8.053 -1.344 541 H SER 68 HN SER 68 9.497 -4.830 -1.366 542 HA SER 68 HA SER 68 8.853 -3.035 0.730 543 HB2 SER 68 2HB SER 68 11.191 -2.944 -1.191 544 HB3 SER 68 1HB SER 68 11.098 -2.143 0.377 545 HG SER 68 HG SER 68 11.234 -4.918 -0.183 546 H ARG 69 HN ARG 69 9.031 -2.710 -2.780 547 HA ARG 69 HA ARG 69 8.671 0.110 -2.787 548 HB2 ARG 69 2HB ARG 69 8.373 -1.950 -4.972 549 HB3 ARG 69 1HB ARG 69 8.336 -0.217 -5.223 550 HG2 ARG 69 2HG ARG 69 10.634 -0.160 -4.143 551 HG3 ARG 69 1HG ARG 69 10.632 -1.912 -4.343 552 HD2 ARG 69 2HD ARG 69 11.759 -0.982 -6.221 553 HD3 ARG 69 1HD ARG 69 10.182 -1.544 -6.777 554 HE ARG 69 HE ARG 69 10.002 1.168 -6.028 555 HH11 ARG 69 1HH1 ARG 69 11.414 -0.851 -8.530 556 HH12 ARG 69 2HH1 ARG 69 11.347 0.396 -9.746 557 HH21 ARG 69 1HH2 ARG 69 9.969 2.816 -7.600 558 HH22 ARG 69 2HH2 ARG 69 10.515 2.485 -9.218 559 H LEU 70 HN LEU 70 6.500 -2.662 -3.219 560 HA LEU 70 HA LEU 70 4.163 -1.180 -3.791 561 HB2 LEU 70 2HB LEU 70 4.318 -3.589 -4.174 562 HB3 LEU 70 1HB LEU 70 4.485 -3.872 -2.453 563 HG LEU 70 HG LEU 70 2.191 -2.993 -2.111 564 HD11 LEU 70 1HD1 LEU 70 2.116 -2.930 -5.122 565 HD12 LEU 70 2HD1 LEU 70 2.036 -1.536 -4.043 566 HD13 LEU 70 3HD1 LEU 70 0.727 -2.720 -4.056 567 HD21 LEU 70 3HD2 LEU 70 2.399 -5.257 -4.090 568 HD22 LEU 70 1HD2 LEU 70 1.031 -4.930 -3.028 569 HD23 LEU 70 2HD2 LEU 70 2.590 -5.391 -2.343 570 H ARG 71 HN ARG 71 5.742 -2.142 -0.835 571 HA ARG 71 HA ARG 71 3.893 -1.413 1.092 572 HB2 ARG 71 2HB ARG 71 6.318 -2.434 1.193 573 HB3 ARG 71 1HB ARG 71 6.803 -0.761 1.407 574 HG2 ARG 71 2HG ARG 71 4.836 -2.196 3.166 575 HG3 ARG 71 1HG ARG 71 6.558 -2.039 3.507 576 HD2 ARG 71 2HD ARG 71 6.211 0.467 3.343 577 HD3 ARG 71 1HD ARG 71 4.481 0.123 3.365 578 HE ARG 71 HE ARG 71 6.385 -0.297 5.551 579 HH11 ARG 71 1HH1 ARG 71 3.093 -0.380 4.357 580 HH12 ARG 71 2HH1 ARG 71 2.391 -0.565 5.929 581 HH21 ARG 71 1HH2 ARG 71 5.473 -0.536 7.613 582 HH22 ARG 71 2HH2 ARG 71 3.751 -0.610 7.803 583 H GLY 72 HN GLY 72 6.147 0.575 -0.757 584 HA2 GLY 72 2HA GLY 72 5.696 3.025 0.570 585 HA3 GLY 72 1HA GLY 72 6.313 2.841 -1.064 586 H ARG 73 HN ARG 73 3.918 1.383 -1.974 587 HA ARG 73 HA ARG 73 2.350 3.617 -2.758 588 HB2 ARG 73 2HB ARG 73 1.646 0.679 -2.949 589 HB3 ARG 73 1HB ARG 73 0.855 1.988 -3.815 590 HG2 ARG 73 2HG ARG 73 3.093 2.464 -4.887 591 HG3 ARG 73 1HG ARG 73 3.650 0.941 -4.190 592 HD2 ARG 73 2HD ARG 73 1.725 -0.183 -5.356 593 HD3 ARG 73 1HD ARG 73 1.414 1.348 -6.171 594 HE ARG 73 HE ARG 73 4.092 0.686 -6.592 595 HH11 ARG 73 1HH1 ARG 73 0.914 -0.494 -7.445 596 HH12 ARG 73 2HH1 ARG 73 1.446 -1.260 -8.908 597 HH21 ARG 73 1HH2 ARG 73 4.804 -0.324 -8.534 598 HH22 ARG 73 2HH2 ARG 73 3.639 -1.158 -9.533 599 H ILE 74 HN ILE 74 2.068 1.173 -0.263 600 HA ILE 74 HA ILE 74 -0.572 1.739 0.554 601 HB ILE 74 HB ILE 74 1.717 0.690 2.234 602 HG12 ILE 74 2HG1 ILE 74 -0.386 -0.822 0.664 603 HG13 ILE 74 1HG1 ILE 74 1.302 -0.648 0.191 604 HG21 ILE 74 1HG2 ILE 74 -1.267 0.475 2.635 605 HG22 ILE 74 2HG2 ILE 74 -0.170 1.492 3.568 606 HG23 ILE 74 3HG2 ILE 74 -0.030 -0.264 3.653 607 HD11 ILE 74 3HD1 ILE 74 1.992 -1.881 2.168 608 HD12 ILE 74 1HD1 ILE 74 0.855 -2.818 1.199 609 HD13 ILE 74 2HD1 ILE 74 0.308 -2.025 2.676 610 H GLU 75 HN GLU 75 2.583 2.955 1.597 611 HA GLU 75 HA GLU 75 1.792 4.761 3.568 612 HB2 GLU 75 2HB GLU 75 4.108 4.335 3.263 613 HB3 GLU 75 1HB GLU 75 4.054 4.782 1.575 614 HG2 GLU 75 2HG GLU 75 5.197 6.450 2.947 615 HG3 GLU 75 1HG GLU 75 3.773 7.103 2.144 616 H SER 76 HN SER 76 2.060 5.149 0.091 617 HA SER 76 HA SER 76 1.467 7.862 -0.097 618 HB2 SER 76 2HB SER 76 0.783 5.704 -2.087 619 HB3 SER 76 1HB SER 76 0.943 7.423 -2.435 620 HG SER 76 HG SER 76 3.007 5.704 -1.488 621 H VAL 77 HN VAL 77 -0.697 5.063 -0.093 622 HA VAL 77 HA VAL 77 -3.083 6.586 -0.438 623 HB VAL 77 HB VAL 77 -2.729 3.786 0.640 624 HG11 VAL 77 1HG1 VAL 77 -4.874 4.714 1.299 625 HG12 VAL 77 2HG1 VAL 77 -5.094 3.481 0.055 626 HG13 VAL 77 3HG1 VAL 77 -5.199 5.189 -0.370 627 HG21 VAL 77 3HG2 VAL 77 -3.390 4.754 -2.139 628 HG22 VAL 77 1HG2 VAL 77 -3.332 3.068 -1.625 629 HG23 VAL 77 2HG2 VAL 77 -1.860 4.041 -1.627 630 H LEU 78 HN LEU 78 -1.512 5.107 2.397 631 HA LEU 78 HA LEU 78 -3.553 5.732 4.231 632 HB2 LEU 78 2HB LEU 78 -0.639 5.112 4.602 633 HB3 LEU 78 1HB LEU 78 -1.720 5.380 5.955 634 HG LEU 78 HG LEU 78 -1.953 3.182 3.899 635 HD11 LEU 78 1HD1 LEU 78 -0.131 2.797 5.432 636 HD12 LEU 78 2HD1 LEU 78 -1.469 1.717 5.824 637 HD13 LEU 78 3HD1 LEU 78 -1.172 3.148 6.811 638 HD21 LEU 78 3HD2 LEU 78 -4.146 3.967 4.677 639 HD22 LEU 78 1HD2 LEU 78 -3.637 3.718 6.346 640 HD23 LEU 78 2HD2 LEU 78 -3.786 2.340 5.254 641 H ASP 79 HN ASP 79 -0.523 7.439 3.472 642 HA ASP 79 HA ASP 79 -0.794 9.493 5.371 643 HB2 ASP 79 2HB ASP 79 1.270 9.014 4.061 644 HB3 ASP 79 1HB ASP 79 0.485 9.685 2.636 645 H TRP 80 HN TRP 80 -2.026 9.147 2.103 646 HA TRP 80 HA TRP 80 -3.216 11.700 1.862 647 HB2 TRP 80 2HB TRP 80 -2.802 10.237 -0.058 648 HB3 TRP 80 1HB TRP 80 -3.934 9.052 0.576 649 HD1 TRP 80 1HD TRP 80 -3.936 12.647 -0.853 650 HE1 TRP 80 1HE TRP 80 -6.216 13.048 -1.989 651 HE3 TRP 80 3HE TRP 80 -6.245 8.269 0.417 652 HZ2 TRP 80 2HZ TRP 80 -8.674 11.681 -2.291 653 HZ3 TRP 80 3HZ TRP 80 -8.559 7.896 -0.328 654 HH2 TRP 80 2HH TRP 80 -9.745 9.565 -1.652 655 H ALA 81 HN ALA 81 -4.334 8.600 3.111 656 HA ALA 81 HA ALA 81 -7.006 9.326 3.617 657 HB1 ALA 81 1HB ALA 81 -6.250 7.010 3.561 658 HB2 ALA 81 2HB ALA 81 -7.069 7.373 5.079 659 HB3 ALA 81 3HB ALA 81 -5.309 7.270 5.028 660 H THR 82 HN THR 82 -4.055 9.680 5.517 661 HA THR 82 HA THR 82 -5.175 10.555 7.926 662 HB THR 82 HB THR 82 -2.583 11.446 6.648 663 HG1 THR 82 1HG THR 82 -1.725 9.749 8.030 664 HG21 THR 82 3HG2 THR 82 -3.415 11.456 9.551 665 HG22 THR 82 1HG2 THR 82 -3.288 12.881 8.518 666 HG23 THR 82 2HG2 THR 82 -1.845 11.944 8.912 667 H VAL 83 HN VAL 83 -4.233 12.376 5.022 668 HA VAL 83 HA VAL 83 -4.994 14.926 5.981 669 HB VAL 83 HB VAL 83 -4.887 13.954 3.119 670 HG11 VAL 83 1HG1 VAL 83 -4.760 16.742 4.261 671 HG12 VAL 83 2HG1 VAL 83 -6.095 16.056 3.334 672 HG13 VAL 83 3HG1 VAL 83 -4.527 16.320 2.566 673 HG21 VAL 83 3HG2 VAL 83 -2.620 14.862 3.080 674 HG22 VAL 83 1HG2 VAL 83 -2.767 13.570 4.270 675 HG23 VAL 83 2HG2 VAL 83 -2.740 15.255 4.794 676 H ARG 84 HN ARG 84 -6.700 12.402 4.222 677 HA ARG 84 HA ARG 84 -9.081 13.838 3.711 678 HB2 ARG 84 2HB ARG 84 -8.489 10.890 3.912 679 HB3 ARG 84 1HB ARG 84 -10.068 11.516 3.463 680 HG2 ARG 84 2HG ARG 84 -7.586 12.290 1.977 681 HG3 ARG 84 1HG ARG 84 -8.488 10.821 1.596 682 HD2 ARG 84 2HD ARG 84 -9.735 13.560 1.683 683 HD3 ARG 84 1HD ARG 84 -9.066 12.841 0.219 684 HE ARG 84 HE ARG 84 -10.783 10.946 1.099 685 HH11 ARG 84 1HH1 ARG 84 -11.142 14.378 0.559 686 HH12 ARG 84 2HH1 ARG 84 -12.785 14.256 0.015 687 HH21 ARG 84 1HH2 ARG 84 -12.955 10.768 0.415 688 HH22 ARG 84 2HH2 ARG 84 -13.834 12.199 -0.040 689 H GLY 85 HN GLY 85 -7.862 12.284 6.542 690 HA2 GLY 85 2HA GLY 85 -8.715 12.773 8.697 691 HA3 GLY 85 1HA GLY 85 -10.276 13.126 7.971 692 H TYR 86 HN TYR 86 -8.631 10.262 6.973 693 HA TYR 86 HA TYR 86 -10.695 8.642 8.231 694 HB2 TYR 86 2HB TYR 86 -8.429 7.810 6.400 695 HB3 TYR 86 1HB TYR 86 -9.771 6.792 6.911 696 HD1 TYR 86 1HD TYR 86 -12.030 8.724 6.638 697 HD2 TYR 86 2HD TYR 86 -8.730 7.927 4.078 698 HE1 TYR 86 1HE TYR 86 -13.348 9.492 4.709 699 HE2 TYR 86 2HE TYR 86 -10.034 8.704 2.146 700 HH TYR 86 HH TYR 86 -12.989 10.398 2.498 701 H ARG 87 HN ARG 87 -7.435 9.546 8.676 702 HA ARG 87 HA ARG 87 -7.365 8.350 11.273 703 HB2 ARG 87 2HB ARG 87 -5.311 7.038 10.952 704 HB3 ARG 87 1HB ARG 87 -6.618 6.410 9.956 705 HG2 ARG 87 2HG ARG 87 -5.660 7.204 7.983 706 HG3 ARG 87 1HG ARG 87 -4.613 8.338 8.840 707 HD2 ARG 87 2HD ARG 87 -3.340 6.447 7.992 708 HD3 ARG 87 1HD ARG 87 -3.328 6.474 9.752 709 HE ARG 87 HE ARG 87 -5.053 4.671 8.170 710 HH11 ARG 87 1HH1 ARG 87 -3.033 5.344 10.950 711 HH12 ARG 87 2HH1 ARG 87 -3.098 3.715 11.546 712 HH21 ARG 87 1HH2 ARG 87 -5.136 2.518 8.950 713 HH22 ARG 87 2HH2 ARG 87 -4.286 2.100 10.408 714 H GLU 88 HN GLU 88 -5.097 8.845 12.273 715 HA GLU 88 HA GLU 88 -3.473 10.794 10.977 716 HB2 GLU 88 2HB GLU 88 -3.809 12.655 12.488 717 HB3 GLU 88 1HB GLU 88 -5.334 12.251 11.716 718 HG2 GLU 88 2HG GLU 88 -6.149 11.208 13.698 719 HG3 GLU 88 1HG GLU 88 -4.567 11.319 14.470 720 H GLY 89 HN GLY 89 -1.962 11.789 12.874 721 HA2 GLY 89 2HA GLY 89 -0.370 11.368 14.458 722 HA3 GLY 89 1HA GLY 89 -1.475 10.203 15.151 723 H ASP 90 HN ASP 90 1.230 10.720 13.139 724 HA ASP 90 HA ASP 90 2.784 9.386 12.159 725 HB2 ASP 90 2HB ASP 90 2.923 8.692 14.577 726 HB3 ASP 90 1HB ASP 90 1.866 7.345 14.192 727 H ASN 91 HN ASN 91 2.847 6.607 11.620 728 HA ASN 91 HA ASN 91 0.312 5.807 10.498 729 HB2 ASN 91 2HB ASN 91 1.448 7.471 8.851 730 HB3 ASN 91 1HB ASN 91 2.583 6.163 8.541 731 HD21 ASN 91 1HD2 ASN 91 1.965 5.930 6.397 732 HD22 ASN 91 2HD2 ASN 91 0.433 5.267 5.958 733 HA PRO 92 HA PRO 92 2.310 1.912 11.375 734 HB2 PRO 92 2HB PRO 92 0.637 0.260 9.996 735 HB3 PRO 92 1HB PRO 92 0.234 0.968 11.565 736 HG2 PRO 92 2HG PRO 92 -0.573 1.850 8.823 737 HG3 PRO 92 1HG PRO 92 -1.549 1.751 10.300 738 HD2 PRO 92 2HD PRO 92 -0.538 4.084 9.395 739 HD3 PRO 92 1HD PRO 92 -0.722 3.745 11.128 740 H ALA 93 HN ALA 93 2.440 3.465 8.482 741 HA ALA 93 HA ALA 93 3.685 1.287 7.002 742 HB1 ALA 93 1HB ALA 93 3.366 4.185 6.219 743 HB2 ALA 93 2HB ALA 93 2.251 2.884 5.801 744 HB3 ALA 93 3HB ALA 93 3.898 2.868 5.173 745 H ARG 94 HN ARG 94 4.602 3.294 9.423 746 HA ARG 94 HA ARG 94 7.330 3.733 8.550 747 HB2 ARG 94 2HB ARG 94 5.772 4.324 11.018 748 HB3 ARG 94 1HB ARG 94 7.510 4.158 11.182 749 HG2 ARG 94 2HG ARG 94 6.985 6.464 10.923 750 HG3 ARG 94 1HG ARG 94 7.788 5.913 9.455 751 HD2 ARG 94 2HD ARG 94 5.647 5.745 8.322 752 HD3 ARG 94 1HD ARG 94 4.808 6.223 9.800 753 HE ARG 94 HE ARG 94 6.394 8.308 9.486 754 HH11 ARG 94 1HH1 ARG 94 4.514 6.591 7.099 755 HH12 ARG 94 2HH1 ARG 94 4.291 7.973 6.078 756 HH21 ARG 94 1HH2 ARG 94 6.148 10.128 8.136 757 HH22 ARG 94 2HH2 ARG 94 5.213 9.996 6.673 758 H TRP 95 HN TRP 95 9.136 2.663 9.339 759 HA TRP 95 HA TRP 95 8.710 0.372 11.103 760 HB2 TRP 95 2HB TRP 95 9.169 0.097 8.324 761 HB3 TRP 95 1HB TRP 95 10.664 -0.360 9.140 762 HD1 TRP 95 1HD TRP 95 9.995 -2.029 11.464 763 HE1 TRP 95 1HE TRP 95 8.579 -4.181 11.365 764 HE3 TRP 95 3HE TRP 95 7.507 -1.146 7.100 765 HZ2 TRP 95 2HZ TRP 95 6.644 -5.340 9.654 766 HZ3 TRP 95 3HZ TRP 95 5.882 -2.807 6.302 767 HH2 TRP 95 2HH TRP 95 5.464 -4.871 7.551 768 H ARG 96 HN ARG 96 9.848 0.971 12.786 769 HA ARG 96 HA ARG 96 12.214 2.592 12.579 770 HB2 ARG 96 2HB ARG 96 10.544 1.480 14.755 771 HB3 ARG 96 1HB ARG 96 12.231 1.779 15.151 772 HG2 ARG 96 2HG ARG 96 12.008 4.102 14.562 773 HG3 ARG 96 1HG ARG 96 10.353 3.832 13.999 774 HD2 ARG 96 2HD ARG 96 9.534 3.537 16.140 775 HD3 ARG 96 1HD ARG 96 11.108 3.094 16.794 776 HE ARG 96 HE ARG 96 10.433 5.860 15.997 777 HH11 ARG 96 1HH1 ARG 96 11.813 3.517 18.203 778 HH12 ARG 96 2HH1 ARG 96 12.375 4.709 19.340 779 HH21 ARG 96 1HH2 ARG 96 11.164 7.455 17.505 780 HH22 ARG 96 2HH2 ARG 96 12.006 6.943 18.937 781 H GLY 97 HN GLY 97 11.532 -0.757 12.644 782 HA2 GLY 97 2HA GLY 97 14.414 -1.330 12.952 783 HA3 GLY 97 1HA GLY 97 13.158 -2.413 13.543 784 H TYR 98 HN TYR 98 12.717 -4.078 12.276 785 HA TYR 98 HA TYR 98 12.663 -3.696 9.403 786 HB2 TYR 98 2HB TYR 98 13.744 -6.040 9.248 787 HB3 TYR 98 1HB TYR 98 14.784 -4.650 9.486 788 HD1 TYR 98 2HD TYR 98 15.671 -4.209 11.821 789 HD2 TYR 98 1HD TYR 98 13.710 -7.838 10.767 790 HE1 TYR 98 2HE TYR 98 16.665 -5.308 13.782 791 HE2 TYR 98 1HE TYR 98 14.709 -8.949 12.722 792 HH TYR 98 HH TYR 98 16.780 -8.606 14.188 793 H LEU 99 HN LEU 99 12.055 -6.016 12.035 794 HA LEU 99 HA LEU 99 9.342 -6.312 11.010 795 HB2 LEU 99 2HB LEU 99 11.252 -8.529 11.712 796 HB3 LEU 99 1HB LEU 99 9.522 -8.759 11.672 797 HG LEU 99 HG LEU 99 11.195 -7.905 9.313 798 HD11 LEU 99 1HD1 LEU 99 9.992 -10.589 9.972 799 HD12 LEU 99 2HD1 LEU 99 11.710 -10.189 9.971 800 HD13 LEU 99 3HD1 LEU 99 10.797 -10.166 8.462 801 HD21 LEU 99 3HD2 LEU 99 8.897 -7.092 9.204 802 HD22 LEU 99 1HD2 LEU 99 8.299 -8.727 9.488 803 HD23 LEU 99 2HD2 LEU 99 9.181 -8.356 8.007 804 H GLU 100 HN GLU 100 11.180 -7.882 13.609 805 HA GLU 100 HA GLU 100 9.196 -7.007 15.550 806 HB2 GLU 100 2HB GLU 100 10.096 -9.341 15.534 807 HB3 GLU 100 1HB GLU 100 11.680 -8.696 15.940 808 HG2 GLU 100 2HG GLU 100 10.699 -7.782 18.033 809 HG3 GLU 100 1HG GLU 100 9.193 -8.608 17.632 810 H HIS 101 HN HIS 101 9.893 -5.973 17.591 811 HA HIS 101 HA HIS 101 11.915 -3.942 17.084 812 HB2 HIS 101 2HB HIS 101 10.065 -4.326 19.453 813 HB3 HIS 101 1HB HIS 101 11.159 -2.965 19.235 814 HD1 HIS 101 1HD HIS 101 7.780 -4.093 18.486 815 HD2 HIS 101 2HD HIS 101 10.445 -1.310 16.924 816 HE1 HIS 101 1HE HIS 101 6.389 -2.547 17.073 817 HE2 HIS 101 2HE HIS 101 7.992 -0.768 16.291 818 H HIS 102 HN HIS 102 13.550 -5.698 17.031 819 HA HIS 102 HA HIS 102 14.234 -7.023 19.477 820 HB2 HIS 102 2HB HIS 102 14.689 -7.990 17.229 821 HB3 HIS 102 1HB HIS 102 15.873 -6.718 16.950 822 HD1 HIS 102 1HD HIS 102 18.207 -7.232 17.635 823 HD2 HIS 102 2HD HIS 102 15.433 -9.715 19.494 824 HE1 HIS 102 1HE HIS 102 19.557 -8.933 18.908 825 HE2 HIS 102 2HE HIS 102 17.857 -10.540 19.853 826 H HIS 103 HN HIS 103 15.333 -6.222 21.098 827 HA HIS 103 HA HIS 103 17.136 -3.939 20.606 828 HB2 HIS 103 2HB HIS 103 16.437 -2.906 22.645 829 HB3 HIS 103 1HB HIS 103 14.970 -3.333 21.777 830 HD1 HIS 103 1HD HIS 103 13.542 -5.315 22.779 831 HD2 HIS 103 2HD HIS 103 16.777 -4.116 25.100 832 HE1 HIS 103 1HE HIS 103 13.171 -6.343 25.039 833 HE2 HIS 103 2HE HIS 103 15.188 -5.684 26.404 834 H HIS 104 HN HIS 104 19.067 -3.906 21.802 835 HA HIS 104 HA HIS 104 19.634 -5.693 23.914 836 HB2 HIS 104 2HB HIS 104 19.609 -7.304 21.963 837 HB3 HIS 104 1HB HIS 104 20.998 -6.436 21.317 838 HD1 HIS 104 1HD HIS 104 23.166 -7.486 21.908 839 HD2 HIS 104 2HD HIS 104 20.231 -8.247 24.760 840 HE1 HIS 104 1HE HIS 104 24.264 -8.944 23.643 841 HE2 HIS 104 2HE HIS 104 22.419 -9.527 25.265 842 H HIS 105 HN HIS 105 21.245 -4.845 25.057 843 HA HIS 105 HA HIS 105 23.280 -3.246 23.652 844 HB2 HIS 105 2HB HIS 105 21.812 -2.623 26.207 845 HB3 HIS 105 1HB HIS 105 23.396 -1.936 25.879 846 HD1 HIS 105 1HD HIS 105 19.966 -1.104 25.575 847 HD2 HIS 105 2HD HIS 105 23.314 -0.589 23.155 848 HE1 HIS 105 1HE HIS 105 19.399 0.792 24.020 849 HE2 HIS 105 2HE HIS 105 21.400 1.025 22.503 850 H HIS 106 HN HIS 106 25.159 -2.844 25.397 851 HA HIS 106 HA HIS 106 25.673 -5.205 26.995 852 HB2 HIS 106 2HB HIS 106 27.717 -5.830 25.927 853 HB3 HIS 106 1HB HIS 106 26.494 -5.739 24.668 854 HD1 HIS 106 1HD HIS 106 26.600 -3.471 23.170 855 HD2 HIS 106 2HD HIS 106 29.954 -4.385 25.450 856 HE1 HIS 106 1HE HIS 106 28.481 -2.137 22.172 857 HE2 HIS 106 2HE HIS 106 30.538 -2.911 23.407 Start of MODEL 10 1 H1 MET 1 H1 MET 1 -16.118 3.977 4.483 2 H2 MET 1 H2 MET 1 -15.096 3.426 5.717 3 H3 MET 1 H3 MET 1 -15.899 2.311 4.723 4 HA MET 1 HA MET 1 -14.666 3.104 2.809 5 HB2 MET 1 2HB MET 1 -14.241 5.372 3.533 6 HB3 MET 1 1HB MET 1 -13.282 4.797 4.890 7 HG2 MET 1 2HG MET 1 -11.626 3.889 3.344 8 HG3 MET 1 1HG MET 1 -12.577 4.468 1.978 9 HE1 MET 1 2HE MET 1 -13.054 7.083 1.534 10 HE2 MET 1 3HE MET 1 -12.418 8.364 2.566 11 HE3 MET 1 1HE MET 1 -13.633 7.255 3.190 12 H THR 2 HN THR 2 -13.933 1.108 2.549 13 HA THR 2 HA THR 2 -12.079 -0.117 4.399 14 HB THR 2 HB THR 2 -11.963 -1.915 2.655 15 HG1 THR 2 1HG THR 2 -14.097 -1.159 1.210 16 HG21 THR 2 3HG2 THR 2 -14.271 -2.699 2.936 17 HG22 THR 2 1HG2 THR 2 -14.752 -1.092 3.476 18 HG23 THR 2 2HG2 THR 2 -13.629 -2.045 4.443 19 H PHE 3 HN PHE 3 -10.031 -1.129 3.245 20 HA PHE 3 HA PHE 3 -8.375 1.024 2.485 21 HB2 PHE 3 2HB PHE 3 -7.510 -1.044 3.532 22 HB3 PHE 3 1HB PHE 3 -7.896 -1.934 2.063 23 HD1 PHE 3 1HD PHE 3 -5.861 0.899 3.333 24 HD2 PHE 3 2HD PHE 3 -6.342 -2.078 0.330 25 HE1 PHE 3 1HE PHE 3 -3.648 1.467 2.416 26 HE2 PHE 3 2HE PHE 3 -4.130 -1.517 -0.589 27 HZ PHE 3 HZ PHE 3 -2.781 0.259 0.453 28 H SER 4 HN SER 4 -10.084 -1.453 0.651 29 HA SER 4 HA SER 4 -9.101 -0.880 -1.898 30 HB2 SER 4 2HB SER 4 -11.888 -1.791 -1.137 31 HB3 SER 4 1HB SER 4 -11.145 -1.951 -2.727 32 HG SER 4 HG SER 4 -11.047 -3.849 -1.305 33 H GLU 5 HN GLU 5 -11.874 0.507 -0.151 34 HA GLU 5 HA GLU 5 -12.777 2.189 -2.208 35 HB2 GLU 5 2HB GLU 5 -13.025 2.409 0.791 36 HB3 GLU 5 1HB GLU 5 -13.864 3.454 -0.339 37 HG2 GLU 5 2HG GLU 5 -15.006 1.520 -1.291 38 HG3 GLU 5 1HG GLU 5 -14.167 0.473 -0.149 39 H CYS 6 HN CYS 6 -10.548 2.760 0.478 40 HA CYS 6 HA CYS 6 -10.117 5.513 -0.008 41 HB2 CYS 6 2HB CYS 6 -9.595 4.316 2.114 42 HB3 CYS 6 1HB CYS 6 -8.256 3.529 1.312 43 HG CYS 6 HG CYS 6 -7.462 6.429 0.647 44 H ALA 7 HN ALA 7 -8.261 2.631 -0.870 45 HA ALA 7 HA ALA 7 -6.177 3.860 -2.262 46 HB1 ALA 7 1HB ALA 7 -7.430 1.191 -2.894 47 HB2 ALA 7 2HB ALA 7 -6.211 1.474 -1.650 48 HB3 ALA 7 3HB ALA 7 -5.812 1.727 -3.351 49 H ALA 8 HN ALA 8 -9.334 2.753 -3.452 50 HA ALA 8 HA ALA 8 -8.965 3.408 -6.155 51 HB1 ALA 8 1HB ALA 8 -10.809 2.008 -5.348 52 HB2 ALA 8 2HB ALA 8 -11.392 3.342 -6.339 53 HB3 ALA 8 3HB ALA 8 -11.539 3.418 -4.584 54 H LEU 9 HN LEU 9 -10.224 5.311 -3.447 55 HA LEU 9 HA LEU 9 -10.911 7.617 -4.897 56 HB2 LEU 9 2HB LEU 9 -10.011 7.325 -2.032 57 HB3 LEU 9 1HB LEU 9 -10.655 8.801 -2.709 58 HG LEU 9 HG LEU 9 -12.148 6.195 -2.466 59 HD11 LEU 9 1HD1 LEU 9 -11.792 7.275 -0.315 60 HD12 LEU 9 2HD1 LEU 9 -13.485 7.378 -0.804 61 HD13 LEU 9 3HD1 LEU 9 -12.434 8.787 -0.959 62 HD21 LEU 9 3HD2 LEU 9 -12.858 7.452 -4.422 63 HD22 LEU 9 1HD2 LEU 9 -13.059 8.901 -3.435 64 HD23 LEU 9 2HD2 LEU 9 -14.097 7.500 -3.170 65 H TYR 10 HN TYR 10 -7.883 6.647 -3.359 66 HA TYR 10 HA TYR 10 -6.436 9.005 -3.687 67 HB2 TYR 10 2HB TYR 10 -5.645 7.093 -2.364 68 HB3 TYR 10 1HB TYR 10 -5.448 6.148 -3.833 69 HD1 TYR 10 1HD TYR 10 -4.201 9.140 -2.041 70 HD2 TYR 10 2HD TYR 10 -3.452 6.268 -5.083 71 HE1 TYR 10 1HE TYR 10 -1.893 9.959 -2.239 72 HE2 TYR 10 2HE TYR 10 -1.141 7.083 -5.296 73 HH TYR 10 HH TYR 10 0.158 9.082 -4.825 74 H ILE 11 HN ILE 11 -6.770 6.241 -5.855 75 HA ILE 11 HA ILE 11 -5.078 7.293 -7.892 76 HB ILE 11 HB ILE 11 -7.153 5.095 -7.977 77 HG12 ILE 11 2HG1 ILE 11 -4.138 4.932 -7.764 78 HG13 ILE 11 1HG1 ILE 11 -5.233 4.822 -6.391 79 HG21 ILE 11 1HG2 ILE 11 -6.749 5.916 -10.222 80 HG22 ILE 11 2HG2 ILE 11 -6.005 4.330 -10.016 81 HG23 ILE 11 3HG2 ILE 11 -5.008 5.783 -9.983 82 HD11 ILE 11 3HD1 ILE 11 -6.241 2.822 -7.359 83 HD12 ILE 11 1HD1 ILE 11 -4.509 2.626 -7.100 84 HD13 ILE 11 2HD1 ILE 11 -5.130 2.929 -8.723 85 H LYS 12 HN LYS 12 -8.631 7.039 -7.570 86 HA LYS 12 HA LYS 12 -9.123 8.119 -10.162 87 HB2 LYS 12 2HB LYS 12 -10.968 7.623 -7.828 88 HB3 LYS 12 1HB LYS 12 -11.510 8.169 -9.411 89 HG2 LYS 12 2HG LYS 12 -10.636 6.145 -10.435 90 HG3 LYS 12 1HG LYS 12 -10.042 5.594 -8.866 91 HD2 LYS 12 2HD LYS 12 -12.357 5.561 -8.026 92 HD3 LYS 12 1HD LYS 12 -12.927 6.070 -9.617 93 HE2 LYS 12 2HE LYS 12 -12.048 4.047 -10.618 94 HE3 LYS 12 1HE LYS 12 -11.367 3.547 -9.072 95 HZ1 LYS 12 3HZ LYS 12 -13.380 2.369 -9.422 96 HZ2 LYS 12 1HZ LYS 12 -14.244 3.787 -9.763 97 HZ3 LYS 12 2HZ LYS 12 -13.674 3.500 -8.193 98 H ALA 13 HN ALA 13 -9.044 9.567 -6.934 99 HA ALA 13 HA ALA 13 -10.303 11.995 -7.788 100 HB1 ALA 13 1HB ALA 13 -9.706 12.869 -5.606 101 HB2 ALA 13 2HB ALA 13 -8.632 11.499 -5.332 102 HB3 ALA 13 3HB ALA 13 -10.372 11.243 -5.453 103 H HIS 14 HN HIS 14 -7.226 10.741 -8.304 104 HA HIS 14 HA HIS 14 -6.150 13.450 -8.722 105 HB2 HIS 14 2HB HIS 14 -4.727 10.871 -8.081 106 HB3 HIS 14 1HB HIS 14 -3.888 12.309 -8.647 107 HD1 HIS 14 1HD HIS 14 -5.044 10.664 -5.633 108 HD2 HIS 14 2HD HIS 14 -4.211 14.570 -6.793 109 HE1 HIS 14 1HE HIS 14 -4.760 11.962 -3.493 110 HE2 HIS 14 2HE HIS 14 -4.097 14.287 -4.218 111 H ARG 15 HN ARG 15 -7.503 10.980 -10.387 112 HA ARG 15 HA ARG 15 -5.623 10.234 -12.311 113 HB2 ARG 15 2HB ARG 15 -7.451 9.356 -13.605 114 HB3 ARG 15 1HB ARG 15 -7.715 9.026 -11.902 115 HG2 ARG 15 2HG ARG 15 -9.431 10.586 -11.735 116 HG3 ARG 15 1HG ARG 15 -8.977 11.381 -13.242 117 HD2 ARG 15 2HD ARG 15 -10.050 8.570 -13.024 118 HD3 ARG 15 1HD ARG 15 -11.009 9.984 -13.462 119 HE ARG 15 HE ARG 15 -9.391 10.202 -15.394 120 HH11 ARG 15 1HH1 ARG 15 -10.145 7.094 -13.948 121 HH12 ARG 15 2HH1 ARG 15 -9.789 6.204 -15.393 122 HH21 ARG 15 1HH2 ARG 15 -8.938 9.030 -17.278 123 HH22 ARG 15 2HH2 ARG 15 -9.095 7.297 -17.283 124 H SER 16 HN SER 16 -7.387 13.176 -12.060 125 HA SER 16 HA SER 16 -7.380 13.989 -14.742 126 HB2 SER 16 2HB SER 16 -7.059 15.841 -12.379 127 HB3 SER 16 1HB SER 16 -7.899 16.139 -13.896 128 HG SER 16 HG SER 16 -8.903 15.193 -11.635 129 H SER 17 HN SER 17 -5.096 14.808 -12.129 130 HA SER 17 HA SER 17 -3.110 15.807 -13.933 131 HB2 SER 17 2HB SER 17 -2.532 14.807 -11.154 132 HB3 SER 17 1HB SER 17 -1.842 16.190 -12.000 133 HG SER 17 HG SER 17 -3.379 17.395 -11.252 134 H TRP 18 HN TRP 18 -4.140 12.821 -12.729 135 HA TRP 18 HA TRP 18 -1.667 11.386 -13.235 136 HB2 TRP 18 2HB TRP 18 -4.082 11.025 -11.666 137 HB3 TRP 18 1HB TRP 18 -3.647 9.575 -12.557 138 HD1 TRP 18 1HD TRP 18 -1.059 11.939 -10.936 139 HE1 TRP 18 1HE TRP 18 0.156 10.601 -9.094 140 HE3 TRP 18 3HE TRP 18 -3.811 7.673 -11.156 141 HZ2 TRP 18 2HZ TRP 18 -0.052 8.025 -7.893 142 HZ3 TRP 18 3HZ TRP 18 -3.249 5.806 -9.649 143 HH2 TRP 18 2HH TRP 18 -1.425 5.989 -8.047 144 H LYS 19 HN LYS 19 -2.855 12.375 -15.642 145 HA LYS 19 HA LYS 19 -4.153 10.509 -17.168 146 HB2 LYS 19 2HB LYS 19 -1.655 12.048 -17.960 147 HB3 LYS 19 1HB LYS 19 -2.762 11.262 -19.081 148 HG2 LYS 19 2HG LYS 19 -3.425 13.570 -17.253 149 HG3 LYS 19 1HG LYS 19 -3.189 13.649 -19.000 150 HD2 LYS 19 2HD LYS 19 -5.138 12.353 -19.410 151 HD3 LYS 19 1HD LYS 19 -5.289 11.927 -17.705 152 HE2 LYS 19 2HE LYS 19 -6.932 13.604 -18.280 153 HE3 LYS 19 1HE LYS 19 -5.739 14.288 -17.178 154 HZ1 LYS 19 3HZ LYS 19 -5.705 14.646 -20.126 155 HZ2 LYS 19 1HZ LYS 19 -4.686 15.403 -19.002 156 HZ3 LYS 19 2HZ LYS 19 -6.336 15.773 -19.030 157 H ASN 20 HN ASN 20 -2.686 7.894 -16.013 158 HA ASN 20 HA ASN 20 -4.615 7.188 -16.959 159 HB2 ASN 20 2HB ASN 20 -5.367 9.585 -17.222 160 HB3 ASN 20 1HB ASN 20 -4.574 9.607 -18.793 161 HD21 ASN 20 1HD2 ASN 20 -6.496 9.981 -19.894 162 HD22 ASN 20 2HD2 ASN 20 -7.710 8.763 -20.080 163 H THR 21 HN THR 21 -1.690 7.350 -17.950 164 HA THR 21 HA THR 21 -2.022 5.668 -20.285 165 HB THR 21 HB THR 21 0.399 5.124 -19.833 166 HG1 THR 21 1HG THR 21 1.046 7.083 -18.190 167 HG21 THR 21 3HG2 THR 21 -0.230 8.075 -19.968 168 HG22 THR 21 1HG2 THR 21 -0.214 6.968 -21.342 169 HG23 THR 21 2HG2 THR 21 1.277 7.311 -20.467 170 H LYS 22 HN LYS 22 -0.402 3.475 -19.519 171 HA LYS 22 HA LYS 22 -2.273 1.986 -17.957 172 HB2 LYS 22 2HB LYS 22 0.441 1.266 -19.044 173 HB3 LYS 22 1HB LYS 22 -0.551 0.146 -18.123 174 HG2 LYS 22 2HG LYS 22 -2.366 0.658 -19.879 175 HG3 LYS 22 1HG LYS 22 -1.026 1.277 -20.848 176 HD2 LYS 22 2HD LYS 22 -1.452 -1.060 -21.384 177 HD3 LYS 22 1HD LYS 22 0.126 -0.880 -20.612 178 HE2 LYS 22 2HE LYS 22 -0.897 -1.518 -18.455 179 HE3 LYS 22 1HE LYS 22 -2.427 -1.785 -19.285 180 HZ1 LYS 22 3HZ LYS 22 -1.453 -3.554 -20.541 181 HZ2 LYS 22 1HZ LYS 22 -1.129 -3.827 -18.898 182 HZ3 LYS 22 2HZ LYS 22 0.089 -3.228 -19.914 183 H HIS 23 HN HIS 23 0.082 4.122 -16.965 184 HA HIS 23 HA HIS 23 1.188 2.672 -14.799 185 HB2 HIS 23 2HB HIS 23 2.372 4.548 -14.271 186 HB3 HIS 23 1HB HIS 23 1.942 4.943 -15.927 187 HD1 HIS 23 1HD HIS 23 1.547 6.047 -12.438 188 HD2 HIS 23 2HD HIS 23 -0.046 6.983 -16.159 189 HE1 HIS 23 1HE HIS 23 0.404 8.267 -12.142 190 HE2 HIS 23 2HE HIS 23 -0.269 8.945 -14.472 191 H ALA 24 HN ALA 24 -1.768 4.481 -15.156 192 HA ALA 24 HA ALA 24 -2.447 4.588 -12.380 193 HB1 ALA 24 1HB ALA 24 -3.518 6.051 -14.012 194 HB2 ALA 24 2HB ALA 24 -4.719 5.060 -13.184 195 HB3 ALA 24 3HB ALA 24 -4.222 4.655 -14.826 196 H ASP 25 HN ASP 25 -3.044 2.314 -15.013 197 HA ASP 25 HA ASP 25 -4.649 0.461 -13.643 198 HB2 ASP 25 2HB ASP 25 -4.304 0.382 -16.075 199 HB3 ASP 25 1HB ASP 25 -2.617 -0.041 -15.834 200 H GLN 26 HN GLN 26 -1.145 0.694 -14.016 201 HA GLN 26 HA GLN 26 -0.440 -1.651 -12.706 202 HB2 GLN 26 2HB GLN 26 1.038 0.965 -12.975 203 HB3 GLN 26 1HB GLN 26 1.756 -0.498 -12.329 204 HG2 GLN 26 2HG GLN 26 0.571 -0.270 -15.080 205 HG3 GLN 26 1HG GLN 26 2.283 -0.075 -14.710 206 HE21 GLN 26 1HE2 GLN 26 2.867 -1.792 -16.000 207 HE22 GLN 26 2HE2 GLN 26 2.565 -3.441 -15.552 208 H TRP 27 HN TRP 27 -1.316 1.478 -11.378 209 HA TRP 27 HA TRP 27 -0.510 0.835 -8.708 210 HB2 TRP 27 2HB TRP 27 -2.159 2.995 -9.958 211 HB3 TRP 27 1HB TRP 27 -2.227 2.761 -8.217 212 HD1 TRP 27 1HD TRP 27 0.450 3.439 -10.954 213 HE1 TRP 27 1HE TRP 27 2.309 4.868 -9.887 214 HE3 TRP 27 3HE TRP 27 -1.270 3.556 -6.136 215 HZ2 TRP 27 2HZ TRP 27 2.961 5.905 -7.338 216 HZ3 TRP 27 3HZ TRP 27 0.026 4.785 -4.446 217 HH2 TRP 27 2HH TRP 27 2.098 5.938 -5.032 218 H THR 28 HN THR 28 -3.623 0.915 -10.396 219 HA THR 28 HA THR 28 -5.175 0.104 -8.184 220 HB THR 28 HB THR 28 -5.904 -0.325 -11.084 221 HG1 THR 28 1HG THR 28 -5.302 1.820 -10.978 222 HG21 THR 28 3HG2 THR 28 -7.446 -1.280 -9.451 223 HG22 THR 28 1HG2 THR 28 -8.187 0.096 -10.266 224 HG23 THR 28 2HG2 THR 28 -7.561 0.274 -8.627 225 H ASN 29 HN ASN 29 -3.795 -1.656 -10.913 226 HA ASN 29 HA ASN 29 -5.167 -4.076 -10.457 227 HB2 ASN 29 2HB ASN 29 -4.143 -3.289 -12.617 228 HB3 ASN 29 1HB ASN 29 -2.569 -3.690 -11.948 229 HD21 ASN 29 1HD2 ASN 29 -2.294 -5.126 -13.695 230 HD22 ASN 29 2HD2 ASN 29 -3.039 -6.684 -13.686 231 H THR 30 HN THR 30 -1.838 -3.073 -9.637 232 HA THR 30 HA THR 30 -1.002 -5.598 -8.714 233 HB THR 30 HB THR 30 0.787 -4.323 -7.485 234 HG1 THR 30 1HG THR 30 0.025 -1.996 -8.831 235 HG21 THR 30 3HG2 THR 30 1.134 -5.104 -9.766 236 HG22 THR 30 1HG2 THR 30 1.897 -3.531 -9.526 237 HG23 THR 30 2HG2 THR 30 0.366 -3.646 -10.396 238 H ILE 31 HN ILE 31 -2.099 -2.748 -6.889 239 HA ILE 31 HA ILE 31 -1.907 -3.917 -4.350 240 HB ILE 31 HB ILE 31 -3.765 -1.704 -5.244 241 HG12 ILE 31 2HG1 ILE 31 -1.025 -1.580 -3.960 242 HG13 ILE 31 1HG1 ILE 31 -1.371 -1.242 -5.653 243 HG21 ILE 31 1HG2 ILE 31 -2.866 -2.479 -2.470 244 HG22 ILE 31 2HG2 ILE 31 -4.483 -2.692 -3.135 245 HG23 ILE 31 3HG2 ILE 31 -3.841 -1.071 -2.882 246 HD11 ILE 31 3HD1 ILE 31 -1.099 0.797 -4.347 247 HD12 ILE 31 1HD1 ILE 31 -2.436 0.311 -3.304 248 HD13 ILE 31 2HD1 ILE 31 -2.729 0.663 -5.008 249 H LYS 32 HN LYS 32 -4.634 -3.697 -6.595 250 HA LYS 32 HA LYS 32 -6.597 -4.829 -4.958 251 HB2 LYS 32 2HB LYS 32 -6.942 -3.675 -7.175 252 HB3 LYS 32 1HB LYS 32 -6.382 -5.146 -7.955 253 HG2 LYS 32 2HG LYS 32 -8.225 -6.384 -6.865 254 HG3 LYS 32 1HG LYS 32 -8.823 -4.853 -6.221 255 HD2 LYS 32 2HD LYS 32 -9.113 -4.008 -8.499 256 HD3 LYS 32 1HD LYS 32 -8.499 -5.535 -9.144 257 HE2 LYS 32 2HE LYS 32 -10.994 -5.165 -7.488 258 HE3 LYS 32 1HE LYS 32 -10.930 -5.495 -9.218 259 HZ1 LYS 32 3HZ LYS 32 -9.903 -7.633 -8.742 260 HZ2 LYS 32 1HZ LYS 32 -11.395 -7.500 -7.940 261 HZ3 LYS 32 2HZ LYS 32 -9.949 -7.313 -7.078 262 H THR 33 HN THR 33 -4.096 -6.299 -6.913 263 HA THR 33 HA THR 33 -5.261 -8.936 -6.755 264 HB THR 33 HB THR 33 -2.514 -8.155 -7.751 265 HG1 THR 33 1HG THR 33 -3.982 -7.100 -9.042 266 HG21 THR 33 3HG2 THR 33 -2.675 -10.256 -9.033 267 HG22 THR 33 1HG2 THR 33 -4.210 -10.610 -8.242 268 HG23 THR 33 2HG2 THR 33 -2.726 -10.545 -7.293 269 H TYR 34 HN TYR 34 -2.347 -7.364 -5.444 270 HA TYR 34 HA TYR 34 -1.571 -9.743 -4.033 271 HB2 TYR 34 2HB TYR 34 -0.462 -6.940 -4.047 272 HB3 TYR 34 1HB TYR 34 0.211 -8.232 -3.059 273 HD1 TYR 34 1HD TYR 34 1.280 -10.188 -4.146 274 HD2 TYR 34 2HD TYR 34 -0.033 -6.827 -6.402 275 HE1 TYR 34 1HE TYR 34 2.679 -10.912 -6.036 276 HE2 TYR 34 2HE TYR 34 1.360 -7.546 -8.295 277 HH TYR 34 HH TYR 34 2.763 -10.627 -8.483 278 H CYS 35 HN CYS 35 -2.849 -6.560 -3.033 279 HA CYS 35 HA CYS 35 -2.923 -7.567 -0.272 280 HB2 CYS 35 2HB CYS 35 -3.095 -4.723 -1.281 281 HB3 CYS 35 1HB CYS 35 -3.058 -5.216 0.411 282 HG CYS 35 HG CYS 35 -0.493 -6.242 -1.529 283 H GLY 36 HN GLY 36 -4.918 -6.728 -2.886 284 HA2 GLY 36 2HA GLY 36 -7.193 -5.635 -1.830 285 HA3 GLY 36 1HA GLY 36 -7.188 -6.756 -3.178 286 HA PRO 37 HA PRO 37 -9.285 -9.954 -1.045 287 HB2 PRO 37 2HB PRO 37 -6.874 -11.681 -0.854 288 HB3 PRO 37 1HB PRO 37 -8.461 -12.032 -1.547 289 HG2 PRO 37 2HG PRO 37 -6.366 -11.568 -3.120 290 HG3 PRO 37 1HG PRO 37 -7.973 -10.943 -3.541 291 HD2 PRO 37 2HD PRO 37 -5.618 -9.508 -2.389 292 HD3 PRO 37 1HD PRO 37 -6.799 -8.954 -3.594 293 H VAL 38 HN VAL 38 -6.269 -8.961 0.409 294 HA VAL 38 HA VAL 38 -6.934 -10.325 2.906 295 HB VAL 38 HB VAL 38 -4.420 -8.768 2.310 296 HG11 VAL 38 1HG1 VAL 38 -4.938 -9.134 4.686 297 HG12 VAL 38 2HG1 VAL 38 -3.494 -10.010 4.177 298 HG13 VAL 38 3HG1 VAL 38 -5.019 -10.871 4.389 299 HG21 VAL 38 3HG2 VAL 38 -3.360 -10.932 1.854 300 HG22 VAL 38 1HG2 VAL 38 -4.643 -10.581 0.698 301 HG23 VAL 38 2HG2 VAL 38 -4.926 -11.726 2.006 302 H ILE 39 HN ILE 39 -5.523 -7.095 2.219 303 HA ILE 39 HA ILE 39 -6.848 -6.152 4.651 304 HB ILE 39 HB ILE 39 -5.377 -4.169 4.471 305 HG12 ILE 39 2HG1 ILE 39 -4.106 -5.677 2.174 306 HG13 ILE 39 1HG1 ILE 39 -5.069 -4.212 2.017 307 HG21 ILE 39 1HG2 ILE 39 -4.716 -6.043 5.845 308 HG22 ILE 39 2HG2 ILE 39 -3.296 -5.339 5.068 309 HG23 ILE 39 3HG2 ILE 39 -3.985 -6.842 4.453 310 HD11 ILE 39 3HD1 ILE 39 -3.410 -2.977 3.306 311 HD12 ILE 39 1HD1 ILE 39 -2.691 -3.733 1.884 312 HD13 ILE 39 2HD1 ILE 39 -2.449 -4.447 3.479 313 H GLY 40 HN GLY 40 -7.490 -6.209 1.445 314 HA2 GLY 40 2HA GLY 40 -8.366 -3.675 0.746 315 HA3 GLY 40 1HA GLY 40 -9.052 -5.175 0.143 316 HA PRO 41 HA PRO 41 -12.780 -4.530 2.378 317 HB2 PRO 41 2HB PRO 41 -13.300 -6.795 3.770 318 HB3 PRO 41 1HB PRO 41 -13.374 -6.720 2.005 319 HG2 PRO 41 2HG PRO 41 -11.172 -7.736 3.765 320 HG3 PRO 41 1HG PRO 41 -11.841 -8.454 2.287 321 HD2 PRO 41 2HD PRO 41 -9.534 -7.035 2.317 322 HD3 PRO 41 1HD PRO 41 -10.624 -7.064 0.917 323 H LEU 42 HN LEU 42 -9.972 -4.638 4.114 324 HA LEU 42 HA LEU 42 -11.156 -4.409 6.747 325 HB2 LEU 42 2HB LEU 42 -8.314 -3.914 5.851 326 HB3 LEU 42 1HB LEU 42 -8.867 -3.989 7.510 327 HG LEU 42 HG LEU 42 -8.815 -6.279 5.541 328 HD11 LEU 42 1HD1 LEU 42 -7.223 -5.752 8.047 329 HD12 LEU 42 2HD1 LEU 42 -6.617 -5.675 6.393 330 HD13 LEU 42 3HD1 LEU 42 -7.146 -7.214 7.067 331 HD21 LEU 42 3HD2 LEU 42 -9.538 -7.671 7.413 332 HD22 LEU 42 1HD2 LEU 42 -10.749 -6.449 7.018 333 HD23 LEU 42 2HD2 LEU 42 -9.703 -6.233 8.421 334 H SER 43 HN SER 43 -11.048 -2.484 8.020 335 HA SER 43 HA SER 43 -11.744 -0.142 6.571 336 HB2 SER 43 2HB SER 43 -12.651 -0.636 8.811 337 HB3 SER 43 1HB SER 43 -11.040 -0.459 9.499 338 HG SER 43 HG SER 43 -12.865 1.451 8.779 339 H VAL 44 HN VAL 44 -10.609 1.799 6.320 340 HA VAL 44 HA VAL 44 -7.798 1.620 6.071 341 HB VAL 44 HB VAL 44 -9.160 3.165 4.718 342 HG11 VAL 44 1HG1 VAL 44 -10.755 3.913 6.367 343 HG12 VAL 44 2HG1 VAL 44 -9.912 5.301 5.670 344 HG13 VAL 44 3HG1 VAL 44 -9.475 4.718 7.279 345 HG21 VAL 44 3HG2 VAL 44 -6.773 3.574 4.903 346 HG22 VAL 44 1HG2 VAL 44 -7.031 4.531 6.363 347 HG23 VAL 44 2HG2 VAL 44 -7.650 5.102 4.815 348 H GLN 45 HN GLN 45 -9.889 2.446 8.690 349 HA GLN 45 HA GLN 45 -7.842 3.627 10.336 350 HB2 GLN 45 2HB GLN 45 -10.683 2.730 10.783 351 HB3 GLN 45 1HB GLN 45 -9.664 3.253 12.107 352 HG2 GLN 45 2HG GLN 45 -10.130 4.982 9.710 353 HG3 GLN 45 1HG GLN 45 -11.248 4.955 11.073 354 HE21 GLN 45 1HE2 GLN 45 -10.852 7.082 11.595 355 HE22 GLN 45 2HE2 GLN 45 -9.379 7.596 12.338 356 H ASP 46 HN ASP 46 -9.023 0.490 9.579 357 HA ASP 46 HA ASP 46 -8.108 -0.734 12.042 358 HB2 ASP 46 2HB ASP 46 -10.203 -1.471 10.990 359 HB3 ASP 46 1HB ASP 46 -9.310 -1.961 9.554 360 H VAL 47 HN VAL 47 -7.012 -0.322 8.768 361 HA VAL 47 HA VAL 47 -5.156 -2.369 8.517 362 HB VAL 47 HB VAL 47 -4.933 0.459 7.461 363 HG11 VAL 47 1HG1 VAL 47 -3.387 -0.459 5.810 364 HG12 VAL 47 2HG1 VAL 47 -3.489 -2.040 6.583 365 HG13 VAL 47 3HG1 VAL 47 -2.767 -0.682 7.446 366 HG21 VAL 47 3HG2 VAL 47 -5.806 -0.508 5.378 367 HG22 VAL 47 1HG2 VAL 47 -6.951 -0.670 6.710 368 HG23 VAL 47 2HG2 VAL 47 -6.000 -2.061 6.191 369 H ASP 48 HN ASP 48 -3.562 -2.918 9.798 370 HA ASP 48 HA ASP 48 -1.904 -0.825 11.030 371 HB2 ASP 48 2HB ASP 48 -3.286 -1.779 12.771 372 HB3 ASP 48 1HB ASP 48 -2.858 -3.413 12.291 373 H THR 49 HN THR 49 0.238 -1.780 11.759 374 HA THR 49 HA THR 49 1.619 -2.638 9.478 375 HB THR 49 HB THR 49 2.585 -2.842 12.338 376 HG1 THR 49 1HG THR 49 3.010 -0.641 10.600 377 HG21 THR 49 3HG2 THR 49 4.026 -3.955 10.697 378 HG22 THR 49 1HG2 THR 49 4.799 -2.496 11.323 379 HG23 THR 49 2HG2 THR 49 4.059 -2.487 9.721 380 H LYS 50 HN LYS 50 0.359 -4.449 12.240 381 HA LYS 50 HA LYS 50 1.645 -6.887 11.749 382 HB2 LYS 50 2HB LYS 50 -0.626 -5.909 13.334 383 HB3 LYS 50 1HB LYS 50 -0.739 -7.592 12.870 384 HG2 LYS 50 2HG LYS 50 1.672 -6.421 14.223 385 HG3 LYS 50 1HG LYS 50 0.322 -7.150 15.098 386 HD2 LYS 50 2HD LYS 50 1.909 -8.577 12.969 387 HD3 LYS 50 1HD LYS 50 2.262 -8.686 14.695 388 HE2 LYS 50 2HE LYS 50 0.057 -9.613 15.113 389 HE3 LYS 50 1HE LYS 50 -0.367 -9.427 13.414 390 HZ1 LYS 50 3HZ LYS 50 0.300 -11.712 14.066 391 HZ2 LYS 50 1HZ LYS 50 1.865 -11.132 14.372 392 HZ3 LYS 50 2HZ LYS 50 1.230 -11.059 12.804 393 H LEU 51 HN LEU 51 -1.438 -5.599 10.589 394 HA LEU 51 HA LEU 51 -2.242 -7.904 9.164 395 HB2 LEU 51 2HB LEU 51 -2.950 -5.020 8.615 396 HB3 LEU 51 1HB LEU 51 -3.856 -6.429 8.112 397 HG LEU 51 HG LEU 51 -3.487 -5.482 10.945 398 HD11 LEU 51 1HD1 LEU 51 -5.896 -5.483 9.139 399 HD12 LEU 51 2HD1 LEU 51 -4.993 -4.070 9.683 400 HD13 LEU 51 3HD1 LEU 51 -5.896 -5.040 10.847 401 HD21 LEU 51 3HD2 LEU 51 -3.595 -7.909 10.842 402 HD22 LEU 51 1HD2 LEU 51 -5.060 -7.814 9.863 403 HD23 LEU 51 2HD2 LEU 51 -5.076 -7.247 11.533 404 H ILE 52 HN ILE 52 -0.392 -5.052 8.373 405 HA ILE 52 HA ILE 52 -0.111 -5.445 5.614 406 HB ILE 52 HB ILE 52 1.431 -3.931 7.681 407 HG12 ILE 52 2HG1 ILE 52 -0.153 -3.141 5.233 408 HG13 ILE 52 1HG1 ILE 52 -0.699 -3.047 6.902 409 HG21 ILE 52 1HG2 ILE 52 2.214 -4.095 4.779 410 HG22 ILE 52 2HG2 ILE 52 3.140 -4.716 6.143 411 HG23 ILE 52 3HG2 ILE 52 2.879 -2.981 5.971 412 HD11 ILE 52 3HD1 ILE 52 0.999 -1.368 7.369 413 HD12 ILE 52 1HD1 ILE 52 -0.054 -0.868 6.047 414 HD13 ILE 52 2HD1 ILE 52 1.566 -1.471 5.703 415 H MET 53 HN MET 53 1.700 -6.725 8.342 416 HA MET 53 HA MET 53 3.836 -7.853 6.867 417 HB2 MET 53 2HB MET 53 2.668 -8.636 9.541 418 HB3 MET 53 1HB MET 53 4.161 -9.286 8.885 419 HG2 MET 53 2HG MET 53 5.161 -7.073 8.910 420 HG3 MET 53 1HG MET 53 3.655 -6.387 9.518 421 HE1 MET 53 3HE MET 53 6.494 -5.942 10.894 422 HE2 MET 53 1HE MET 53 6.084 -6.141 12.598 423 HE3 MET 53 2HE MET 53 5.002 -5.251 11.531 424 H LYS 54 HN LYS 54 0.699 -9.094 7.890 425 HA LYS 54 HA LYS 54 1.027 -11.781 7.250 426 HB2 LYS 54 2HB LYS 54 -1.465 -10.075 7.140 427 HB3 LYS 54 1HB LYS 54 -1.460 -11.829 7.033 428 HG2 LYS 54 2HG LYS 54 -0.500 -11.985 9.260 429 HG3 LYS 54 1HG LYS 54 -0.451 -10.226 9.369 430 HD2 LYS 54 2HD LYS 54 -2.377 -11.168 10.564 431 HD3 LYS 54 1HD LYS 54 -2.873 -10.122 9.233 432 HE2 LYS 54 2HE LYS 54 -3.415 -12.000 7.866 433 HE3 LYS 54 1HE LYS 54 -2.679 -13.122 9.010 434 HZ1 LYS 54 3HZ LYS 54 -5.167 -12.972 9.066 435 HZ2 LYS 54 1HZ LYS 54 -5.002 -11.410 9.695 436 HZ3 LYS 54 2HZ LYS 54 -4.396 -12.740 10.557 437 H VAL 55 HN VAL 55 0.108 -9.074 5.197 438 HA VAL 55 HA VAL 55 -0.557 -10.639 2.917 439 HB VAL 55 HB VAL 55 0.364 -7.765 2.909 440 HG11 VAL 55 1HG1 VAL 55 -1.091 -7.613 0.916 441 HG12 VAL 55 2HG1 VAL 55 -1.370 -9.351 1.021 442 HG13 VAL 55 3HG1 VAL 55 0.253 -8.736 0.706 443 HG21 VAL 55 3HG2 VAL 55 -1.997 -7.146 3.115 444 HG22 VAL 55 1HG2 VAL 55 -1.413 -8.008 4.541 445 HG23 VAL 55 2HG2 VAL 55 -2.413 -8.845 3.353 446 H LEU 56 HN LEU 56 2.406 -9.127 4.069 447 HA LEU 56 HA LEU 56 3.784 -9.479 1.564 448 HB2 LEU 56 2HB LEU 56 4.705 -8.561 4.279 449 HB3 LEU 56 1HB LEU 56 5.786 -8.717 2.908 450 HG LEU 56 HG LEU 56 3.425 -6.853 3.135 451 HD11 LEU 56 1HD1 LEU 56 5.136 -5.112 2.998 452 HD12 LEU 56 2HD1 LEU 56 6.392 -6.352 2.981 453 HD13 LEU 56 3HD1 LEU 56 5.371 -6.149 4.406 454 HD21 LEU 56 3HD2 LEU 56 5.329 -7.292 0.834 455 HD22 LEU 56 1HD2 LEU 56 4.133 -5.998 0.942 456 HD23 LEU 56 2HD2 LEU 56 3.608 -7.680 0.855 457 H ASP 57 HN ASP 57 3.330 -11.334 4.418 458 HA ASP 57 HA ASP 57 5.617 -12.771 4.758 459 HB2 ASP 57 2HB ASP 57 3.390 -12.956 6.014 460 HB3 ASP 57 1HB ASP 57 2.941 -14.142 4.809 461 HA PRO 58 HA PRO 58 4.624 -15.947 1.328 462 HB2 PRO 58 2HB PRO 58 2.548 -15.576 -0.343 463 HB3 PRO 58 1HB PRO 58 2.354 -16.354 1.232 464 HG2 PRO 58 2HG PRO 58 1.770 -13.528 0.432 465 HG3 PRO 58 1HG PRO 58 0.802 -14.632 1.428 466 HD2 PRO 58 2HD PRO 58 2.412 -12.694 2.474 467 HD3 PRO 58 1HD PRO 58 2.041 -14.211 3.313 468 H ILE 59 HN ILE 59 4.481 -12.552 0.817 469 HA ILE 59 HA ILE 59 5.087 -12.662 -2.008 470 HB ILE 59 HB ILE 59 5.092 -10.286 -0.138 471 HG12 ILE 59 2HG1 ILE 59 2.999 -11.317 -2.070 472 HG13 ILE 59 1HG1 ILE 59 2.880 -11.310 -0.314 473 HG21 ILE 59 1HG2 ILE 59 4.961 -8.961 -2.225 474 HG22 ILE 59 2HG2 ILE 59 5.195 -10.442 -3.151 475 HG23 ILE 59 3HG2 ILE 59 6.469 -9.861 -2.079 476 HD11 ILE 59 3HD1 ILE 59 1.569 -9.521 -1.318 477 HD12 ILE 59 1HD1 ILE 59 3.023 -8.870 -2.074 478 HD13 ILE 59 2HD1 ILE 59 2.870 -8.878 -0.316 479 H TRP 60 HN TRP 60 6.831 -11.979 1.010 480 HA TRP 60 HA TRP 60 9.267 -11.150 -0.086 481 HB2 TRP 60 2HB TRP 60 8.643 -12.614 2.477 482 HB3 TRP 60 1HB TRP 60 10.273 -12.105 2.060 483 HD1 TRP 60 1HD TRP 60 7.266 -10.921 3.811 484 HE1 TRP 60 1HE TRP 60 7.447 -8.409 4.329 485 HE3 TRP 60 3HE TRP 60 11.235 -9.753 0.810 486 HZ2 TRP 60 2HZ TRP 60 9.049 -6.223 3.572 487 HZ3 TRP 60 3HZ TRP 60 12.029 -7.425 0.767 488 HH2 TRP 60 2HH TRP 60 10.956 -5.697 2.121 489 H GLU 61 HN GLU 61 7.874 -14.304 0.165 490 HA GLU 61 HA GLU 61 10.198 -15.849 -0.195 491 HB2 GLU 61 2HB GLU 61 7.295 -16.406 -0.798 492 HB3 GLU 61 1HB GLU 61 8.562 -17.604 -0.786 493 HG2 GLU 61 2HG GLU 61 7.639 -15.983 1.563 494 HG3 GLU 61 1HG GLU 61 7.281 -17.683 1.262 495 H GLN 62 HN GLN 62 8.134 -14.097 -2.348 496 HA GLN 62 HA GLN 62 9.250 -15.503 -4.667 497 HB2 GLN 62 2HB GLN 62 6.632 -14.043 -4.322 498 HB3 GLN 62 1HB GLN 62 7.201 -14.722 -5.837 499 HG2 GLN 62 2HG GLN 62 7.147 -16.943 -4.936 500 HG3 GLN 62 1HG GLN 62 6.751 -16.326 -3.335 501 HE21 GLN 62 1HE2 GLN 62 4.674 -15.618 -2.910 502 HE22 GLN 62 2HE2 GLN 62 3.341 -15.976 -3.960 503 H LYS 63 HN LYS 63 8.164 -12.253 -3.636 504 HA LYS 63 HA LYS 63 10.105 -11.126 -5.533 505 HB2 LYS 63 2HB LYS 63 7.309 -10.053 -5.126 506 HB3 LYS 63 1HB LYS 63 8.529 -9.410 -6.218 507 HG2 LYS 63 2HG LYS 63 8.461 -11.556 -7.465 508 HG3 LYS 63 1HG LYS 63 7.120 -12.063 -6.434 509 HD2 LYS 63 2HD LYS 63 5.862 -10.054 -7.181 510 HD3 LYS 63 1HD LYS 63 7.181 -9.690 -8.297 511 HE2 LYS 63 2HE LYS 63 5.422 -12.140 -8.300 512 HE3 LYS 63 1HE LYS 63 5.413 -10.832 -9.481 513 HZ1 LYS 63 3HZ LYS 63 7.693 -11.446 -10.089 514 HZ2 LYS 63 1HZ LYS 63 6.606 -12.725 -10.339 515 HZ3 LYS 63 2HZ LYS 63 7.638 -12.742 -8.996 516 HA PRO 64 HA PRO 64 10.866 -9.470 -1.288 517 HB2 PRO 64 2HB PRO 64 13.489 -9.018 -2.602 518 HB3 PRO 64 1HB PRO 64 13.128 -9.724 -1.023 519 HG2 PRO 64 2HG PRO 64 13.891 -11.256 -3.068 520 HG3 PRO 64 1HG PRO 64 12.665 -11.812 -1.915 521 HD2 PRO 64 2HD PRO 64 12.320 -10.774 -4.696 522 HD3 PRO 64 1HD PRO 64 11.445 -12.069 -3.855 523 H GLU 65 HN GLU 65 12.280 -8.037 -4.254 524 HA GLU 65 HA GLU 65 12.383 -5.414 -3.266 525 HB2 GLU 65 2HB GLU 65 13.580 -6.255 -5.287 526 HB3 GLU 65 1HB GLU 65 12.046 -6.243 -6.141 527 HG2 GLU 65 2HG GLU 65 11.895 -3.790 -5.623 528 HG3 GLU 65 1HG GLU 65 13.562 -3.891 -5.056 529 H THR 66 HN THR 66 9.863 -7.161 -4.965 530 HA THR 66 HA THR 66 8.245 -4.911 -5.554 531 HB THR 66 HB THR 66 7.438 -7.819 -5.351 532 HG1 THR 66 1HG THR 66 8.559 -6.250 -7.444 533 HG21 THR 66 3HG2 THR 66 5.531 -6.263 -5.396 534 HG22 THR 66 1HG2 THR 66 5.638 -7.205 -6.884 535 HG23 THR 66 2HG2 THR 66 6.175 -5.526 -6.863 536 H ALA 67 HN ALA 67 8.386 -7.159 -2.858 537 HA ALA 67 HA ALA 67 5.990 -6.500 -1.582 538 HB1 ALA 67 1HB ALA 67 7.380 -8.391 -0.912 539 HB2 ALA 67 2HB ALA 67 7.039 -7.336 0.460 540 HB3 ALA 67 3HB ALA 67 8.619 -7.283 -0.323 541 H SER 68 HN SER 68 9.209 -5.055 -1.249 542 HA SER 68 HA SER 68 8.414 -3.105 0.666 543 HB2 SER 68 2HB SER 68 10.757 -3.999 0.252 544 HB3 SER 68 1HB SER 68 10.810 -2.971 -1.178 545 HG SER 68 HG SER 68 11.244 -2.325 1.387 546 H ARG 69 HN ARG 69 8.936 -3.010 -2.856 547 HA ARG 69 HA ARG 69 8.487 -0.257 -3.173 548 HB2 ARG 69 2HB ARG 69 8.244 -2.575 -5.082 549 HB3 ARG 69 1HB ARG 69 8.071 -0.905 -5.572 550 HG2 ARG 69 2HG ARG 69 10.344 -0.442 -4.772 551 HG3 ARG 69 1HG ARG 69 10.513 -2.144 -4.348 552 HD2 ARG 69 2HD ARG 69 11.563 -1.797 -6.469 553 HD3 ARG 69 1HD ARG 69 10.081 -2.715 -6.731 554 HE ARG 69 HE ARG 69 9.377 -0.076 -7.076 555 HH11 ARG 69 1HH1 ARG 69 11.668 -2.300 -8.562 556 HH12 ARG 69 2HH1 ARG 69 11.624 -1.483 -10.101 557 HH21 ARG 69 1HH2 ARG 69 9.332 0.971 -9.071 558 HH22 ARG 69 2HH2 ARG 69 10.327 0.402 -10.385 559 H LEU 70 HN LEU 70 6.297 -3.003 -3.077 560 HA LEU 70 HA LEU 70 3.983 -1.630 -3.964 561 HB2 LEU 70 2HB LEU 70 4.158 -4.086 -3.908 562 HB3 LEU 70 1HB LEU 70 4.217 -4.038 -2.158 563 HG LEU 70 HG LEU 70 1.933 -3.151 -2.094 564 HD11 LEU 70 1HD1 LEU 70 1.906 -1.952 -4.206 565 HD12 LEU 70 2HD1 LEU 70 0.578 -3.111 -4.137 566 HD13 LEU 70 3HD1 LEU 70 2.017 -3.474 -5.091 567 HD21 LEU 70 3HD2 LEU 70 2.303 -5.554 -1.982 568 HD22 LEU 70 1HD2 LEU 70 2.226 -5.658 -3.740 569 HD23 LEU 70 2HD2 LEU 70 0.797 -5.186 -2.823 570 H ARG 71 HN ARG 71 5.481 -2.090 -0.820 571 HA ARG 71 HA ARG 71 3.406 -0.917 0.703 572 HB2 ARG 71 2HB ARG 71 6.325 -1.408 1.240 573 HB3 ARG 71 1HB ARG 71 5.273 -0.643 2.418 574 HG2 ARG 71 2HG ARG 71 5.079 -3.421 1.298 575 HG3 ARG 71 1HG ARG 71 5.352 -2.935 2.975 576 HD2 ARG 71 2HD ARG 71 3.107 -1.959 3.053 577 HD3 ARG 71 1HD ARG 71 2.837 -2.444 1.381 578 HE ARG 71 HE ARG 71 3.282 -4.379 3.557 579 HH11 ARG 71 1HH1 ARG 71 1.659 -3.366 0.648 580 HH12 ARG 71 2HH1 ARG 71 0.560 -4.707 0.622 581 HH21 ARG 71 1HH2 ARG 71 1.824 -6.163 3.558 582 HH22 ARG 71 2HH2 ARG 71 0.655 -6.295 2.283 583 H GLY 72 HN GLY 72 6.250 0.367 -0.916 584 HA2 GLY 72 2HA GLY 72 6.200 2.972 0.114 585 HA3 GLY 72 1HA GLY 72 6.838 2.518 -1.458 586 H ARG 73 HN ARG 73 4.277 1.470 -2.400 587 HA ARG 73 HA ARG 73 3.099 3.881 -3.381 588 HB2 ARG 73 2HB ARG 73 1.913 1.098 -3.459 589 HB3 ARG 73 1HB ARG 73 1.509 2.449 -4.506 590 HG2 ARG 73 2HG ARG 73 3.743 2.359 -5.488 591 HG3 ARG 73 1HG ARG 73 4.142 0.993 -4.439 592 HD2 ARG 73 2HD ARG 73 2.143 -0.186 -5.442 593 HD3 ARG 73 1HD ARG 73 2.088 1.108 -6.637 594 HE ARG 73 HE ARG 73 4.588 -0.376 -6.326 595 HH11 ARG 73 1HH1 ARG 73 1.740 0.353 -8.223 596 HH12 ARG 73 2HH1 ARG 73 2.323 -0.447 -9.645 597 HH21 ARG 73 1HH2 ARG 73 5.354 -1.462 -8.196 598 HH22 ARG 73 2HH2 ARG 73 4.365 -1.481 -9.634 599 H ILE 74 HN ILE 74 2.103 1.390 -1.080 600 HA ILE 74 HA ILE 74 -0.417 2.440 -0.434 601 HB ILE 74 HB ILE 74 1.423 0.661 1.164 602 HG12 ILE 74 2HG1 ILE 74 -0.989 0.117 -0.581 603 HG13 ILE 74 1HG1 ILE 74 0.680 -0.297 -0.951 604 HG21 ILE 74 1HG2 ILE 74 -1.483 1.313 1.660 605 HG22 ILE 74 2HG2 ILE 74 -0.121 1.792 2.672 606 HG23 ILE 74 3HG2 ILE 74 -0.544 0.087 2.513 607 HD11 ILE 74 3HD1 ILE 74 0.698 -1.843 0.948 608 HD12 ILE 74 1HD1 ILE 74 -0.540 -2.247 -0.239 609 HD13 ILE 74 2HD1 ILE 74 -0.990 -1.449 1.265 610 H GLU 75 HN GLU 75 2.785 3.031 0.939 611 HA GLU 75 HA GLU 75 2.168 4.514 3.192 612 HB2 GLU 75 2HB GLU 75 4.466 3.923 2.498 613 HB3 GLU 75 1HB GLU 75 4.361 5.086 1.184 614 HG2 GLU 75 2HG GLU 75 3.770 6.709 3.211 615 HG3 GLU 75 1HG GLU 75 4.740 5.520 4.081 616 H SER 76 HN SER 76 2.482 5.642 -0.153 617 HA SER 76 HA SER 76 1.937 8.349 0.344 618 HB2 SER 76 2HB SER 76 1.532 6.742 -2.172 619 HB3 SER 76 1HB SER 76 1.582 8.500 -2.089 620 HG SER 76 HG SER 76 3.748 8.079 -1.043 621 H VAL 77 HN VAL 77 -0.164 5.616 -0.384 622 HA VAL 77 HA VAL 77 -2.533 7.125 -0.778 623 HB VAL 77 HB VAL 77 -2.284 4.253 0.143 624 HG11 VAL 77 1HG1 VAL 77 -4.590 5.688 -1.170 625 HG12 VAL 77 2HG1 VAL 77 -4.509 5.193 0.521 626 HG13 VAL 77 3HG1 VAL 77 -4.536 3.976 -0.755 627 HG21 VAL 77 3HG2 VAL 77 -2.526 5.376 -2.648 628 HG22 VAL 77 1HG2 VAL 77 -2.553 3.666 -2.219 629 HG23 VAL 77 2HG2 VAL 77 -1.094 4.620 -1.952 630 H LEU 78 HN LEU 78 -1.251 5.366 2.038 631 HA LEU 78 HA LEU 78 -3.380 6.064 3.768 632 HB2 LEU 78 2HB LEU 78 -0.560 5.186 4.378 633 HB3 LEU 78 1HB LEU 78 -1.827 5.340 5.581 634 HG LEU 78 HG LEU 78 -1.835 3.431 3.240 635 HD11 LEU 78 1HD1 LEU 78 -1.594 1.696 4.898 636 HD12 LEU 78 2HD1 LEU 78 -1.603 2.889 6.195 637 HD13 LEU 78 3HD1 LEU 78 -0.265 2.844 5.047 638 HD21 LEU 78 3HD2 LEU 78 -4.085 4.243 3.815 639 HD22 LEU 78 1HD2 LEU 78 -3.826 3.739 5.485 640 HD23 LEU 78 2HD2 LEU 78 -3.875 2.536 4.197 641 H ASP 79 HN ASP 79 -0.338 7.610 2.967 642 HA ASP 79 HA ASP 79 -0.320 9.527 5.046 643 HB2 ASP 79 2HB ASP 79 1.643 9.015 3.618 644 HB3 ASP 79 1HB ASP 79 0.824 9.756 2.249 645 H TRP 80 HN TRP 80 -1.488 9.663 1.698 646 HA TRP 80 HA TRP 80 -2.646 12.213 1.791 647 HB2 TRP 80 2HB TRP 80 -2.355 11.191 -0.331 648 HB3 TRP 80 1HB TRP 80 -3.234 9.748 0.153 649 HD1 TRP 80 1HD TRP 80 -3.896 13.445 -0.771 650 HE1 TRP 80 1HE TRP 80 -6.308 13.621 -1.677 651 HE3 TRP 80 3HE TRP 80 -5.430 8.650 0.109 652 HZ2 TRP 80 2HZ TRP 80 -8.560 11.921 -1.973 653 HZ3 TRP 80 3HZ TRP 80 -7.721 8.006 -0.512 654 HH2 TRP 80 2HH TRP 80 -9.250 9.611 -1.530 655 H ALA 81 HN ALA 81 -3.995 9.028 2.558 656 HA ALA 81 HA ALA 81 -6.625 9.815 3.084 657 HB1 ALA 81 1HB ALA 81 -5.070 7.570 4.368 658 HB2 ALA 81 2HB ALA 81 -5.932 7.482 2.832 659 HB3 ALA 81 3HB ALA 81 -6.827 7.733 4.330 660 H THR 82 HN THR 82 -3.760 9.887 5.120 661 HA THR 82 HA THR 82 -5.088 10.444 7.555 662 HB THR 82 HB THR 82 -2.258 11.191 6.773 663 HG1 THR 82 1HG THR 82 -2.461 8.982 6.542 664 HG21 THR 82 3HG2 THR 82 -1.823 11.093 9.191 665 HG22 THR 82 1HG2 THR 82 -3.534 10.770 9.482 666 HG23 THR 82 2HG2 THR 82 -3.031 12.318 8.803 667 H VAL 83 HN VAL 83 -3.600 12.516 5.080 668 HA VAL 83 HA VAL 83 -4.108 14.972 6.401 669 HB VAL 83 HB VAL 83 -3.773 14.493 3.430 670 HG11 VAL 83 1HG1 VAL 83 -4.695 16.703 3.953 671 HG12 VAL 83 2HG1 VAL 83 -3.046 16.821 3.342 672 HG13 VAL 83 3HG1 VAL 83 -3.359 16.996 5.067 673 HG21 VAL 83 3HG2 VAL 83 -1.408 15.018 3.799 674 HG22 VAL 83 1HG2 VAL 83 -1.898 13.582 4.699 675 HG23 VAL 83 2HG2 VAL 83 -1.703 15.123 5.535 676 H ARG 84 HN ARG 84 -5.953 12.995 4.173 677 HA ARG 84 HA ARG 84 -8.058 14.867 3.749 678 HB2 ARG 84 2HB ARG 84 -7.813 11.898 3.329 679 HB3 ARG 84 1HB ARG 84 -9.303 12.767 2.997 680 HG2 ARG 84 2HG ARG 84 -6.657 13.461 1.754 681 HG3 ARG 84 1HG ARG 84 -7.845 12.382 1.017 682 HD2 ARG 84 2HD ARG 84 -8.352 15.245 1.809 683 HD3 ARG 84 1HD ARG 84 -7.996 14.691 0.173 684 HE ARG 84 HE ARG 84 -10.116 13.209 0.691 685 HH11 ARG 84 1HH1 ARG 84 -9.575 16.571 1.515 686 HH12 ARG 84 2HH1 ARG 84 -11.248 17.013 1.318 687 HH21 ARG 84 1HH2 ARG 84 -12.325 13.791 0.456 688 HH22 ARG 84 2HH2 ARG 84 -12.810 15.432 0.783 689 H GLY 85 HN GLY 85 -7.207 13.000 6.420 690 HA2 GLY 85 2HA GLY 85 -8.227 12.944 8.491 691 HA3 GLY 85 1HA GLY 85 -9.597 13.800 7.803 692 H TYR 86 HN TYR 86 -8.452 10.884 6.304 693 HA TYR 86 HA TYR 86 -10.961 9.568 6.910 694 HB2 TYR 86 2HB TYR 86 -8.568 8.538 5.360 695 HB3 TYR 86 1HB TYR 86 -10.143 7.760 5.454 696 HD1 TYR 86 1HD TYR 86 -11.655 10.525 5.259 697 HD2 TYR 86 2HD TYR 86 -8.622 8.637 2.952 698 HE1 TYR 86 1HE TYR 86 -12.391 11.784 3.273 699 HE2 TYR 86 2HE TYR 86 -9.339 9.891 0.967 700 HH TYR 86 HH TYR 86 -11.473 11.016 0.157 701 H ARG 87 HN ARG 87 -7.624 9.429 7.840 702 HA ARG 87 HA ARG 87 -8.301 7.760 10.116 703 HB2 ARG 87 2HB ARG 87 -6.179 6.386 9.680 704 HB3 ARG 87 1HB ARG 87 -7.596 6.006 8.713 705 HG2 ARG 87 2HG ARG 87 -6.595 6.594 6.795 706 HG3 ARG 87 1HG ARG 87 -5.815 8.001 7.517 707 HD2 ARG 87 2HD ARG 87 -4.874 5.252 8.209 708 HD3 ARG 87 1HD ARG 87 -4.372 5.999 6.690 709 HE ARG 87 HE ARG 87 -3.599 7.906 8.175 710 HH11 ARG 87 1HH1 ARG 87 -3.616 4.551 9.270 711 HH12 ARG 87 2HH1 ARG 87 -2.342 4.822 10.420 712 HH21 ARG 87 1HH2 ARG 87 -1.936 8.209 9.670 713 HH22 ARG 87 2HH2 ARG 87 -1.392 6.879 10.644 714 H GLU 88 HN GLU 88 -6.704 7.872 11.811 715 HA GLU 88 HA GLU 88 -4.911 10.196 11.534 716 HB2 GLU 88 2HB GLU 88 -6.467 9.330 13.981 717 HB3 GLU 88 1HB GLU 88 -5.303 10.644 13.936 718 HG2 GLU 88 2HG GLU 88 -6.731 11.806 12.295 719 HG3 GLU 88 1HG GLU 88 -7.920 10.513 12.456 720 H GLY 89 HN GLY 89 -3.218 10.168 13.364 721 HA2 GLY 89 2HA GLY 89 -1.788 8.951 14.798 722 HA3 GLY 89 1HA GLY 89 -2.435 7.452 14.139 723 H ASP 90 HN ASP 90 -0.165 6.849 14.023 724 HA ASP 90 HA ASP 90 1.439 8.158 11.983 725 HB2 ASP 90 2HB ASP 90 2.274 7.131 14.228 726 HB3 ASP 90 1HB ASP 90 2.173 5.593 13.378 727 H ASN 91 HN ASN 91 2.599 6.538 10.420 728 HA ASN 91 HA ASN 91 0.439 5.202 8.974 729 HB2 ASN 91 2HB ASN 91 2.037 6.842 7.883 730 HB3 ASN 91 1HB ASN 91 3.322 5.673 8.140 731 HD21 ASN 91 1HD2 ASN 91 2.227 6.854 5.692 732 HD22 ASN 91 2HD2 ASN 91 1.774 5.521 4.694 733 HA PRO 92 HA PRO 92 2.090 1.281 10.373 734 HB2 PRO 92 2HB PRO 92 0.383 -0.363 9.142 735 HB3 PRO 92 1HB PRO 92 -0.142 0.695 10.458 736 HG2 PRO 92 2HG PRO 92 -0.486 1.027 7.507 737 HG3 PRO 92 1HG PRO 92 -1.636 1.361 8.813 738 HD2 PRO 92 2HD PRO 92 -0.078 3.269 7.556 739 HD3 PRO 92 1HD PRO 92 -0.790 3.450 9.170 740 H ALA 93 HN ALA 93 2.239 2.384 7.155 741 HA ALA 93 HA ALA 93 3.325 -0.108 6.099 742 HB1 ALA 93 1HB ALA 93 1.712 1.147 4.757 743 HB2 ALA 93 2HB ALA 93 3.263 0.998 3.935 744 HB3 ALA 93 3HB ALA 93 2.820 2.518 4.710 745 H ARG 94 HN ARG 94 4.627 2.270 7.874 746 HA ARG 94 HA ARG 94 7.113 2.376 6.334 747 HB2 ARG 94 2HB ARG 94 7.713 4.139 8.149 748 HB3 ARG 94 1HB ARG 94 6.645 4.576 6.830 749 HG2 ARG 94 2HG ARG 94 5.331 5.406 8.424 750 HG3 ARG 94 1HG ARG 94 4.872 3.738 8.733 751 HD2 ARG 94 2HD ARG 94 7.175 5.098 10.113 752 HD3 ARG 94 1HD ARG 94 5.533 5.099 10.748 753 HE ARG 94 HE ARG 94 7.037 2.608 10.268 754 HH11 ARG 94 1HH1 ARG 94 4.913 4.605 12.205 755 HH12 ARG 94 2HH1 ARG 94 4.846 3.474 13.529 756 HH21 ARG 94 1HH2 ARG 94 6.968 1.111 12.012 757 HH22 ARG 94 2HH2 ARG 94 6.010 1.483 13.414 758 H TRP 95 HN TRP 95 9.124 1.951 7.342 759 HA TRP 95 HA TRP 95 8.880 0.198 9.702 760 HB2 TRP 95 2HB TRP 95 9.957 -0.378 7.029 761 HB3 TRP 95 1HB TRP 95 10.980 -0.896 8.370 762 HD1 TRP 95 1HD TRP 95 9.556 -2.370 10.317 763 HE1 TRP 95 1HE TRP 95 7.880 -4.277 9.903 764 HE3 TRP 95 3HE TRP 95 8.311 -1.305 5.479 765 HZ2 TRP 95 2HZ TRP 95 6.241 -5.202 7.803 766 HZ3 TRP 95 3HZ TRP 95 6.675 -2.748 4.341 767 HH2 TRP 95 2HH TRP 95 5.664 -4.654 5.481 768 H ARG 96 HN ARG 96 9.982 0.974 11.336 769 HA ARG 96 HA ARG 96 12.564 2.265 10.826 770 HB2 ARG 96 2HB ARG 96 11.092 3.586 12.237 771 HB3 ARG 96 1HB ARG 96 10.836 2.216 13.311 772 HG2 ARG 96 2HG ARG 96 13.059 2.293 14.096 773 HG3 ARG 96 1HG ARG 96 13.532 3.418 12.824 774 HD2 ARG 96 2HD ARG 96 12.211 5.166 13.800 775 HD3 ARG 96 1HD ARG 96 11.526 4.051 14.981 776 HE ARG 96 HE ARG 96 13.721 3.899 16.000 777 HH11 ARG 96 1HH1 ARG 96 13.241 6.502 13.698 778 HH12 ARG 96 2HH1 ARG 96 14.495 7.496 14.373 779 HH21 ARG 96 1HH2 ARG 96 15.385 5.205 16.882 780 HH22 ARG 96 2HH2 ARG 96 15.706 6.770 16.187 781 H GLY 97 HN GLY 97 14.082 0.767 10.687 782 HA2 GLY 97 2HA GLY 97 15.496 -0.766 12.019 783 HA3 GLY 97 1HA GLY 97 13.995 -1.510 12.567 784 H TYR 98 HN TYR 98 12.515 -2.034 10.539 785 HA TYR 98 HA TYR 98 12.123 -3.242 8.657 786 HB2 TYR 98 2HB TYR 98 13.523 -1.278 7.782 787 HB3 TYR 98 1HB TYR 98 14.872 -2.396 7.755 788 HD1 TYR 98 2HD TYR 98 11.308 -2.422 6.603 789 HD2 TYR 98 1HD TYR 98 15.386 -3.202 5.662 790 HE1 TYR 98 2HE TYR 98 10.647 -3.114 4.336 791 HE2 TYR 98 1HE TYR 98 14.737 -3.891 3.395 792 HH TYR 98 HH TYR 98 12.801 -4.704 2.200 793 H LEU 99 HN LEU 99 13.718 -4.863 7.067 794 HA LEU 99 HA LEU 99 14.279 -7.086 8.732 795 HB2 LEU 99 2HB LEU 99 14.950 -6.514 5.847 796 HB3 LEU 99 1HB LEU 99 15.368 -8.020 6.637 797 HG LEU 99 HG LEU 99 12.884 -8.303 7.115 798 HD11 LEU 99 1HD1 LEU 99 12.679 -6.141 5.029 799 HD12 LEU 99 2HD1 LEU 99 12.190 -6.002 6.716 800 HD13 LEU 99 3HD1 LEU 99 11.347 -7.119 5.645 801 HD21 LEU 99 3HD2 LEU 99 13.846 -8.284 4.263 802 HD22 LEU 99 1HD2 LEU 99 12.444 -9.165 4.869 803 HD23 LEU 99 2HD2 LEU 99 14.062 -9.587 5.432 804 H GLU 100 HN GLU 100 16.591 -5.585 6.505 805 HA GLU 100 HA GLU 100 18.461 -5.073 8.648 806 HB2 GLU 100 2HB GLU 100 18.972 -7.404 8.115 807 HB3 GLU 100 1HB GLU 100 19.130 -6.999 6.411 808 HG2 GLU 100 2HG GLU 100 21.315 -7.230 7.376 809 HG3 GLU 100 1HG GLU 100 21.040 -5.536 6.973 810 H HIS 101 HN HIS 101 18.727 -2.971 8.193 811 HA HIS 101 HA HIS 101 18.912 -1.998 5.494 812 HB2 HIS 101 2HB HIS 101 17.957 -0.603 7.306 813 HB3 HIS 101 1HB HIS 101 19.526 -0.584 8.105 814 HD1 HIS 101 1HD HIS 101 17.716 0.807 5.114 815 HD2 HIS 101 2HD HIS 101 21.379 1.225 7.050 816 HE1 HIS 101 1HE HIS 101 18.792 2.846 4.105 817 HE2 HIS 101 2HE HIS 101 21.019 3.062 5.253 818 H HIS 102 HN HIS 102 20.661 -2.568 4.353 819 HA HIS 102 HA HIS 102 23.287 -2.132 5.565 820 HB2 HIS 102 2HB HIS 102 24.141 -4.260 4.783 821 HB3 HIS 102 1HB HIS 102 22.744 -4.542 5.810 822 HD1 HIS 102 1HD HIS 102 20.594 -5.489 4.657 823 HD2 HIS 102 2HD HIS 102 23.868 -5.071 2.123 824 HE1 HIS 102 1HE HIS 102 20.016 -6.786 2.580 825 HE2 HIS 102 2HE HIS 102 22.085 -6.669 1.149 826 H HIS 103 HN HIS 103 24.669 -1.141 4.260 827 HA HIS 103 HA HIS 103 23.960 -0.727 1.469 828 HB2 HIS 103 2HB HIS 103 25.717 0.564 3.419 829 HB3 HIS 103 1HB HIS 103 26.471 0.374 1.841 830 HD1 HIS 103 1HD HIS 103 24.096 2.445 3.693 831 HD2 HIS 103 2HD HIS 103 24.993 1.663 -0.291 832 HE1 HIS 103 1HE HIS 103 23.078 4.335 2.383 833 HE2 HIS 103 2HE HIS 103 23.894 3.983 0.025 834 H HIS 104 HN HIS 104 26.942 -1.700 3.153 835 HA HIS 104 HA HIS 104 28.631 -3.117 2.600 836 HB2 HIS 104 2HB HIS 104 26.578 -4.694 2.627 837 HB3 HIS 104 1HB HIS 104 26.689 -4.648 0.872 838 HD1 HIS 104 1HD HIS 104 28.557 -5.835 3.920 839 HD2 HIS 104 2HD HIS 104 28.695 -6.222 -0.222 840 HE1 HIS 104 1HE HIS 104 30.199 -7.686 3.462 841 HE2 HIS 104 2HE HIS 104 30.166 -7.996 0.962 842 H HIS 105 HN HIS 105 27.818 -0.829 0.886 843 HA HIS 105 HA HIS 105 29.715 -0.992 -1.173 844 HB2 HIS 105 2HB HIS 105 27.917 -2.546 -2.103 845 HB3 HIS 105 1HB HIS 105 26.868 -1.135 -2.190 846 HD1 HIS 105 1HD HIS 105 27.346 0.597 -4.064 847 HD2 HIS 105 2HD HIS 105 29.949 -2.650 -4.016 848 HE1 HIS 105 1HE HIS 105 28.605 0.698 -6.239 849 HE2 HIS 105 2HE HIS 105 30.048 -1.373 -6.260 850 H HIS 106 HN HIS 106 30.286 1.087 -1.396 851 HA HIS 106 HA HIS 106 28.158 3.096 -1.474 852 HB2 HIS 106 2HB HIS 106 29.378 4.625 -0.018 853 HB3 HIS 106 1HB HIS 106 29.029 3.129 0.829 854 HD1 HIS 106 1HD HIS 106 31.098 1.506 1.232 855 HD2 HIS 106 2HD HIS 106 32.032 5.310 -0.167 856 HE1 HIS 106 1HE HIS 106 33.544 1.817 1.698 857 HE2 HIS 106 2HE HIS 106 34.066 4.162 0.952 Start of MODEL 11 1 H1 MET 1 H1 MET 1 -16.073 2.616 5.052 2 H2 MET 1 H2 MET 1 -16.116 4.309 5.038 3 H3 MET 1 H3 MET 1 -14.991 3.494 6.014 4 HA MET 1 HA MET 1 -15.056 3.455 3.055 5 HB2 MET 1 2HB MET 1 -14.315 5.615 3.935 6 HB3 MET 1 1HB MET 1 -13.165 4.810 4.994 7 HG2 MET 1 2HG MET 1 -11.950 5.655 3.145 8 HG3 MET 1 1HG MET 1 -12.040 3.909 2.957 9 HE1 MET 1 2HE MET 1 -13.504 7.363 1.771 10 HE2 MET 1 3HE MET 1 -14.931 6.480 2.313 11 HE3 MET 1 1HE MET 1 -14.713 6.839 0.601 12 H THR 2 HN THR 2 -14.029 1.776 2.183 13 HA THR 2 HA THR 2 -12.420 0.081 3.956 14 HB THR 2 HB THR 2 -12.515 -1.597 2.141 15 HG1 THR 2 1HG THR 2 -14.360 0.170 0.862 16 HG21 THR 2 3HG2 THR 2 -15.225 -0.510 2.907 17 HG22 THR 2 1HG2 THR 2 -14.228 -1.575 3.899 18 HG23 THR 2 2HG2 THR 2 -14.877 -2.153 2.364 19 H PHE 3 HN PHE 3 -10.396 -0.862 2.985 20 HA PHE 3 HA PHE 3 -8.666 1.232 2.225 21 HB2 PHE 3 2HB PHE 3 -7.909 -0.793 3.419 22 HB3 PHE 3 1HB PHE 3 -8.225 -1.754 1.978 23 HD1 PHE 3 2HD PHE 3 -6.204 1.119 3.198 24 HD2 PHE 3 1HD PHE 3 -6.561 -2.050 0.383 25 HE1 PHE 3 2HE PHE 3 -3.925 1.583 2.391 26 HE2 PHE 3 1HE PHE 3 -4.284 -1.590 -0.430 27 HZ PHE 3 HZ PHE 3 -2.963 0.227 0.574 28 H SER 4 HN SER 4 -10.362 -1.236 0.380 29 HA SER 4 HA SER 4 -9.117 -0.821 -2.100 30 HB2 SER 4 2HB SER 4 -10.561 -2.761 -1.639 31 HB3 SER 4 1HB SER 4 -11.960 -1.692 -1.525 32 HG SER 4 HG SER 4 -10.640 -1.293 -3.847 33 H GLU 5 HN GLU 5 -12.034 0.643 -0.693 34 HA GLU 5 HA GLU 5 -12.678 2.306 -2.863 35 HB2 GLU 5 2HB GLU 5 -13.230 2.524 0.091 36 HB3 GLU 5 1HB GLU 5 -13.921 3.609 -1.097 37 HG2 GLU 5 2HG GLU 5 -15.104 1.812 -2.140 38 HG3 GLU 5 1HG GLU 5 -14.293 0.632 -1.109 39 H CYS 6 HN CYS 6 -10.824 2.900 0.089 40 HA CYS 6 HA CYS 6 -10.316 5.626 -0.329 41 HB2 CYS 6 2HB CYS 6 -9.985 4.287 1.789 42 HB3 CYS 6 1HB CYS 6 -8.492 3.695 1.095 43 HG CYS 6 HG CYS 6 -7.803 6.619 0.702 44 H ALA 7 HN ALA 7 -8.392 2.765 -1.129 45 HA ALA 7 HA ALA 7 -6.208 4.055 -2.312 46 HB1 ALA 7 1HB ALA 7 -7.383 1.384 -3.074 47 HB2 ALA 7 2HB ALA 7 -6.240 1.665 -1.761 48 HB3 ALA 7 3HB ALA 7 -5.751 1.947 -3.432 49 H ALA 8 HN ALA 8 -9.289 3.016 -3.727 50 HA ALA 8 HA ALA 8 -8.715 3.743 -6.382 51 HB1 ALA 8 1HB ALA 8 -11.407 3.693 -5.023 52 HB2 ALA 8 2HB ALA 8 -10.597 2.300 -5.740 53 HB3 ALA 8 3HB ALA 8 -11.106 3.645 -6.760 54 H LEU 9 HN LEU 9 -9.984 5.568 -3.655 55 HA LEU 9 HA LEU 9 -10.671 7.919 -5.055 56 HB2 LEU 9 2HB LEU 9 -9.729 7.646 -2.199 57 HB3 LEU 9 1HB LEU 9 -10.536 9.042 -2.875 58 HG LEU 9 HG LEU 9 -11.756 6.302 -2.537 59 HD11 LEU 9 1HD1 LEU 9 -11.458 7.442 -0.422 60 HD12 LEU 9 2HD1 LEU 9 -13.164 7.423 -0.868 61 HD13 LEU 9 3HD1 LEU 9 -12.216 8.896 -1.072 62 HD21 LEU 9 3HD2 LEU 9 -13.836 7.363 -3.239 63 HD22 LEU 9 1HD2 LEU 9 -12.618 7.464 -4.510 64 HD23 LEU 9 2HD2 LEU 9 -12.979 8.879 -3.521 65 H TYR 10 HN TYR 10 -7.683 6.894 -3.461 66 HA TYR 10 HA TYR 10 -6.170 9.213 -3.815 67 HB2 TYR 10 2HB TYR 10 -5.442 7.294 -2.453 68 HB3 TYR 10 1HB TYR 10 -5.238 6.335 -3.909 69 HD1 TYR 10 2HD TYR 10 -3.933 9.256 -2.055 70 HD2 TYR 10 1HD TYR 10 -3.251 6.473 -5.199 71 HE1 TYR 10 2HE TYR 10 -1.610 10.030 -2.228 72 HE2 TYR 10 1HE TYR 10 -0.924 7.248 -5.383 73 HH TYR 10 HH TYR 10 0.529 9.275 -3.035 74 H ILE 11 HN ILE 11 -6.650 6.451 -5.934 75 HA ILE 11 HA ILE 11 -4.994 7.306 -8.055 76 HB ILE 11 HB ILE 11 -7.402 5.481 -8.057 77 HG12 ILE 11 2HG1 ILE 11 -4.441 4.863 -8.065 78 HG13 ILE 11 1HG1 ILE 11 -5.482 4.786 -6.648 79 HG21 ILE 11 1HG2 ILE 11 -5.317 5.853 -10.205 80 HG22 ILE 11 2HG2 ILE 11 -7.003 6.360 -10.302 81 HG23 ILE 11 3HG2 ILE 11 -6.604 4.644 -10.209 82 HD11 ILE 11 3HD1 ILE 11 -6.794 3.025 -7.716 83 HD12 ILE 11 1HD1 ILE 11 -5.093 2.581 -7.568 84 HD13 ILE 11 2HD1 ILE 11 -5.736 3.100 -9.125 85 H LYS 12 HN LYS 12 -8.514 7.606 -7.547 86 HA LYS 12 HA LYS 12 -8.997 8.916 -10.008 87 HB2 LYS 12 2HB LYS 12 -10.652 8.630 -7.516 88 HB3 LYS 12 1HB LYS 12 -11.219 9.538 -8.911 89 HG2 LYS 12 2HG LYS 12 -10.831 7.481 -10.286 90 HG3 LYS 12 1HG LYS 12 -10.536 6.616 -8.777 91 HD2 LYS 12 2HD LYS 12 -12.766 7.153 -7.996 92 HD3 LYS 12 1HD LYS 12 -13.065 8.124 -9.436 93 HE2 LYS 12 2HE LYS 12 -12.810 6.116 -10.830 94 HE3 LYS 12 1HE LYS 12 -12.539 5.154 -9.379 95 HZ1 LYS 12 3HZ LYS 12 -15.024 6.664 -9.998 96 HZ2 LYS 12 1HZ LYS 12 -14.760 5.702 -8.623 97 HZ3 LYS 12 2HZ LYS 12 -14.825 4.991 -10.163 98 H ALA 13 HN ALA 13 -8.235 10.135 -6.804 99 HA ALA 13 HA ALA 13 -8.930 12.832 -7.262 100 HB1 ALA 13 1HB ALA 13 -7.554 13.351 -5.338 101 HB2 ALA 13 2HB ALA 13 -6.778 11.770 -5.433 102 HB3 ALA 13 3HB ALA 13 -8.491 11.888 -5.028 103 H HIS 14 HN HIS 14 -6.444 10.957 -8.605 104 HA HIS 14 HA HIS 14 -4.986 13.395 -9.412 105 HB2 HIS 14 2HB HIS 14 -3.876 10.622 -8.915 106 HB3 HIS 14 1HB HIS 14 -2.957 11.945 -9.620 107 HD1 HIS 14 1HD HIS 14 -4.256 10.645 -6.385 108 HD2 HIS 14 2HD HIS 14 -2.188 13.962 -7.803 109 HE1 HIS 14 1HE HIS 14 -3.320 11.783 -4.348 110 HE2 HIS 14 2HE HIS 14 -1.877 13.635 -5.257 111 H ARG 15 HN ARG 15 -7.145 11.329 -10.543 112 HA ARG 15 HA ARG 15 -5.941 9.776 -12.532 113 HB2 ARG 15 2HB ARG 15 -8.166 9.342 -13.335 114 HB3 ARG 15 1HB ARG 15 -8.194 9.407 -11.579 115 HG2 ARG 15 2HG ARG 15 -9.026 11.738 -11.734 116 HG3 ARG 15 1HG ARG 15 -9.120 11.542 -13.483 117 HD2 ARG 15 2HD ARG 15 -10.582 9.859 -11.457 118 HD3 ARG 15 1HD ARG 15 -11.283 11.194 -12.368 119 HE ARG 15 HE ARG 15 -10.221 8.761 -13.675 120 HH11 ARG 15 1HH1 ARG 15 -12.656 11.245 -13.299 121 HH12 ARG 15 2HH1 ARG 15 -13.667 10.635 -14.570 122 HH21 ARG 15 1HH2 ARG 15 -11.564 7.938 -15.339 123 HH22 ARG 15 2HH2 ARG 15 -13.072 8.730 -15.705 124 H SER 16 HN SER 16 -6.824 13.158 -12.674 125 HA SER 16 HA SER 16 -6.936 13.266 -15.527 126 HB2 SER 16 2HB SER 16 -6.594 15.479 -13.485 127 HB3 SER 16 1HB SER 16 -7.002 15.696 -15.180 128 HG SER 16 HG SER 16 -9.001 15.329 -14.703 129 H SER 17 HN SER 17 -4.495 14.121 -13.093 130 HA SER 17 HA SER 17 -2.445 14.650 -15.016 131 HB2 SER 17 2HB SER 17 -2.064 13.764 -12.150 132 HB3 SER 17 1HB SER 17 -1.004 14.778 -13.121 133 HG SER 17 HG SER 17 -3.129 16.144 -13.153 134 H TRP 18 HN TRP 18 -4.049 11.994 -13.881 135 HA TRP 18 HA TRP 18 -1.881 10.094 -14.344 136 HB2 TRP 18 2HB TRP 18 -4.180 10.221 -12.515 137 HB3 TRP 18 1HB TRP 18 -3.884 8.645 -13.231 138 HD1 TRP 18 1HD TRP 18 -0.989 10.971 -12.251 139 HE1 TRP 18 1HE TRP 18 0.308 9.831 -10.329 140 HE3 TRP 18 3HE TRP 18 -4.143 7.096 -11.439 141 HZ2 TRP 18 2HZ TRP 18 -0.008 7.528 -8.681 142 HZ3 TRP 18 3HZ TRP 18 -3.596 5.439 -9.698 143 HH2 TRP 18 2HH TRP 18 -1.578 5.662 -8.339 144 H LYS 19 HN LYS 19 -2.769 10.841 -16.718 145 HA LYS 19 HA LYS 19 -4.630 9.390 -18.042 146 HB2 LYS 19 2HB LYS 19 -1.672 9.458 -18.741 147 HB3 LYS 19 1HB LYS 19 -2.975 9.073 -19.855 148 HG2 LYS 19 2HG LYS 19 -2.516 11.728 -18.506 149 HG3 LYS 19 1HG LYS 19 -2.195 11.343 -20.196 150 HD2 LYS 19 2HD LYS 19 -4.588 10.889 -20.528 151 HD3 LYS 19 1HD LYS 19 -4.892 11.323 -18.846 152 HE2 LYS 19 2HE LYS 19 -3.706 13.165 -20.919 153 HE3 LYS 19 1HE LYS 19 -5.401 13.149 -20.442 154 HZ1 LYS 19 3HZ LYS 19 -3.062 13.896 -18.773 155 HZ2 LYS 19 1HZ LYS 19 -4.609 13.627 -18.131 156 HZ3 LYS 19 2HZ LYS 19 -4.362 14.872 -19.246 157 H ASN 20 HN ASN 20 -4.647 6.392 -16.902 158 HA ASN 20 HA ASN 20 -6.001 6.165 -18.688 159 HB2 ASN 20 2HB ASN 20 -6.000 8.703 -18.880 160 HB3 ASN 20 1HB ASN 20 -4.651 8.547 -19.994 161 HD21 ASN 20 1HD2 ASN 20 -5.022 7.923 -22.081 162 HD22 ASN 20 2HD2 ASN 20 -6.606 7.691 -22.735 163 H THR 21 HN THR 21 -2.892 5.926 -18.329 164 HA THR 21 HA THR 21 -2.552 4.147 -20.647 165 HB THR 21 HB THR 21 -0.134 4.149 -20.017 166 HG1 THR 21 1HG THR 21 -0.670 6.377 -18.349 167 HG21 THR 21 3HG2 THR 21 -0.866 5.690 -21.751 168 HG22 THR 21 1HG2 THR 21 0.383 6.449 -20.764 169 HG23 THR 21 2HG2 THR 21 -1.311 6.885 -20.533 170 H LYS 22 HN LYS 22 -0.757 2.335 -19.495 171 HA LYS 22 HA LYS 22 -2.536 0.927 -17.731 172 HB2 LYS 22 2HB LYS 22 0.203 0.239 -18.777 173 HB3 LYS 22 1HB LYS 22 -0.717 -0.809 -17.706 174 HG2 LYS 22 2HG LYS 22 -2.537 -0.831 -19.403 175 HG3 LYS 22 1HG LYS 22 -1.463 0.056 -20.488 176 HD2 LYS 22 2HD LYS 22 -0.917 -2.652 -19.278 177 HD3 LYS 22 1HD LYS 22 -1.410 -2.345 -20.944 178 HE2 LYS 22 2HE LYS 22 1.109 -1.284 -19.674 179 HE3 LYS 22 1HE LYS 22 1.029 -2.732 -20.674 180 HZ1 LYS 22 3HZ LYS 22 0.324 -1.412 -22.534 181 HZ2 LYS 22 1HZ LYS 22 1.749 -0.744 -21.900 182 HZ3 LYS 22 2HZ LYS 22 0.256 -0.010 -21.579 183 H HIS 23 HN HIS 23 -0.439 3.361 -17.057 184 HA HIS 23 HA HIS 23 0.980 2.464 -14.802 185 HB2 HIS 23 2HB HIS 23 -0.024 5.191 -15.596 186 HB3 HIS 23 1HB HIS 23 0.825 4.936 -14.077 187 HD1 HIS 23 1HD HIS 23 3.330 4.893 -14.154 188 HD2 HIS 23 2HD HIS 23 1.602 4.684 -17.938 189 HE1 HIS 23 1HE HIS 23 5.224 5.173 -15.788 190 HE2 HIS 23 2HE HIS 23 4.107 5.305 -18.043 191 H ALA 24 HN ALA 24 -2.248 3.924 -15.049 192 HA ALA 24 HA ALA 24 -2.832 3.893 -12.282 193 HB1 ALA 24 1HB ALA 24 -5.153 4.205 -12.972 194 HB2 ALA 24 2HB ALA 24 -4.724 3.799 -14.633 195 HB3 ALA 24 3HB ALA 24 -4.074 5.258 -13.888 196 H ASP 25 HN ASP 25 -3.268 1.531 -14.873 197 HA ASP 25 HA ASP 25 -4.819 -0.320 -13.379 198 HB2 ASP 25 2HB ASP 25 -4.619 -0.313 -15.877 199 HB3 ASP 25 1HB ASP 25 -2.983 -0.934 -15.707 200 H GLN 26 HN GLN 26 -1.352 -0.008 -14.009 201 HA GLN 26 HA GLN 26 -0.459 -2.269 -12.660 202 HB2 GLN 26 2HB GLN 26 0.757 0.419 -13.228 203 HB3 GLN 26 1HB GLN 26 1.622 -0.749 -12.253 204 HG2 GLN 26 2HG GLN 26 1.433 -2.370 -14.123 205 HG3 GLN 26 1HG GLN 26 0.711 -1.092 -15.092 206 HE21 GLN 26 1HE2 GLN 26 1.989 0.545 -15.883 207 HE22 GLN 26 2HE2 GLN 26 3.717 0.494 -15.833 208 H TRP 27 HN TRP 27 -1.226 0.963 -11.440 209 HA TRP 27 HA TRP 27 -0.509 0.467 -8.750 210 HB2 TRP 27 2HB TRP 27 -2.158 2.495 -10.178 211 HB3 TRP 27 1HB TRP 27 -2.379 2.342 -8.439 212 HD1 TRP 27 1HD TRP 27 0.538 2.936 -10.937 213 HE1 TRP 27 1HE TRP 27 2.240 4.494 -9.788 214 HE3 TRP 27 3HE TRP 27 -1.696 3.328 -6.364 215 HZ2 TRP 27 2HZ TRP 27 2.582 5.724 -7.258 216 HZ3 TRP 27 3HZ TRP 27 -0.626 4.708 -4.633 217 HH2 TRP 27 2HH TRP 27 1.468 5.881 -5.070 218 H THR 28 HN THR 28 -3.621 0.294 -10.443 219 HA THR 28 HA THR 28 -5.147 -0.352 -8.158 220 HB THR 28 HB THR 28 -5.830 -0.988 -11.034 221 HG1 THR 28 1HG THR 28 -5.211 1.273 -10.577 222 HG21 THR 28 3HG2 THR 28 -7.322 -2.006 -9.367 223 HG22 THR 28 1HG2 THR 28 -8.144 -0.739 -10.281 224 HG23 THR 28 2HG2 THR 28 -7.586 -0.422 -8.639 225 H ASN 29 HN ASN 29 -3.832 -2.386 -10.769 226 HA ASN 29 HA ASN 29 -5.238 -4.714 -10.087 227 HB2 ASN 29 2HB ASN 29 -4.032 -4.147 -12.269 228 HB3 ASN 29 1HB ASN 29 -2.556 -4.671 -11.468 229 HD21 ASN 29 1HD2 ASN 29 -4.006 -5.743 -13.793 230 HD22 ASN 29 2HD2 ASN 29 -4.305 -7.405 -13.423 231 H THR 30 HN THR 30 -1.872 -3.792 -9.307 232 HA THR 30 HA THR 30 -1.206 -6.199 -8.029 233 HB THR 30 HB THR 30 -0.044 -3.486 -7.390 234 HG1 THR 30 1HG THR 30 0.642 -5.347 -9.446 235 HG21 THR 30 3HG2 THR 30 1.993 -4.785 -6.896 236 HG22 THR 30 1HG2 THR 30 1.103 -6.276 -7.203 237 HG23 THR 30 2HG2 THR 30 0.653 -5.242 -5.848 238 H ILE 31 HN ILE 31 -2.378 -3.121 -6.679 239 HA ILE 31 HA ILE 31 -2.261 -3.985 -3.985 240 HB ILE 31 HB ILE 31 -3.898 -1.752 -5.207 241 HG12 ILE 31 2HG1 ILE 31 -1.221 -1.693 -3.791 242 HG13 ILE 31 1HG1 ILE 31 -1.453 -1.537 -5.528 243 HG21 ILE 31 1HG2 ILE 31 -3.209 -2.291 -2.319 244 HG22 ILE 31 2HG2 ILE 31 -4.809 -2.398 -3.052 245 HG23 ILE 31 3HG2 ILE 31 -3.999 -0.836 -2.927 246 HD11 ILE 31 3HD1 ILE 31 -2.426 0.371 -3.419 247 HD12 ILE 31 1HD1 ILE 31 -2.743 0.518 -5.148 248 HD13 ILE 31 2HD1 ILE 31 -1.089 0.627 -4.542 249 H LYS 32 HN LYS 32 -4.859 -3.887 -6.382 250 HA LYS 32 HA LYS 32 -6.948 -4.726 -4.695 251 HB2 LYS 32 2HB LYS 32 -7.202 -3.780 -7.012 252 HB3 LYS 32 1HB LYS 32 -6.670 -5.332 -7.641 253 HG2 LYS 32 2HG LYS 32 -8.575 -6.368 -6.349 254 HG3 LYS 32 1HG LYS 32 -9.165 -4.726 -6.088 255 HD2 LYS 32 2HD LYS 32 -9.310 -4.387 -8.499 256 HD3 LYS 32 1HD LYS 32 -8.678 -6.013 -8.773 257 HE2 LYS 32 2HE LYS 32 -10.636 -6.877 -7.454 258 HE3 LYS 32 1HE LYS 32 -11.295 -5.244 -7.497 259 HZ1 LYS 32 3HZ LYS 32 -11.260 -5.367 -9.935 260 HZ2 LYS 32 1HZ LYS 32 -12.240 -6.571 -9.244 261 HZ3 LYS 32 2HZ LYS 32 -10.703 -6.965 -9.844 262 H THR 33 HN THR 33 -4.481 -6.481 -6.427 263 HA THR 33 HA THR 33 -5.797 -9.023 -6.094 264 HB THR 33 HB THR 33 -3.029 -8.392 -7.135 265 HG1 THR 33 1HG THR 33 -4.352 -7.600 -8.651 266 HG21 THR 33 3HG2 THR 33 -4.668 -10.926 -7.320 267 HG22 THR 33 1HG2 THR 33 -3.210 -10.708 -6.352 268 HG23 THR 33 2HG2 THR 33 -3.118 -10.643 -8.110 269 H TYR 34 HN TYR 34 -2.781 -7.560 -4.811 270 HA TYR 34 HA TYR 34 -2.379 -9.839 -3.099 271 HB2 TYR 34 2HB TYR 34 -0.889 -7.251 -3.449 272 HB3 TYR 34 1HB TYR 34 -0.460 -8.419 -2.199 273 HD1 TYR 34 2HD TYR 34 0.155 -10.765 -2.909 274 HD2 TYR 34 1HD TYR 34 -0.162 -7.553 -5.677 275 HE1 TYR 34 2HE TYR 34 1.476 -12.046 -4.536 276 HE2 TYR 34 1HE TYR 34 1.154 -8.829 -7.316 277 HH TYR 34 HH TYR 34 1.724 -12.121 -7.029 278 H CYS 35 HN CYS 35 -3.265 -6.434 -2.563 279 HA CYS 35 HA CYS 35 -3.482 -6.923 0.296 280 HB2 CYS 35 2HB CYS 35 -3.972 -4.372 -1.258 281 HB3 CYS 35 1HB CYS 35 -3.817 -4.518 0.490 282 HG CYS 35 HG CYS 35 -1.104 -5.574 0.131 283 H GLY 36 HN GLY 36 -5.525 -6.545 -2.476 284 HA2 GLY 36 2HA GLY 36 -7.910 -5.649 -1.457 285 HA3 GLY 36 1HA GLY 36 -7.782 -6.792 -2.780 286 HA PRO 37 HA PRO 37 -9.552 -10.159 -0.594 287 HB2 PRO 37 2HB PRO 37 -6.943 -11.567 -0.321 288 HB3 PRO 37 1HB PRO 37 -8.475 -12.144 -0.991 289 HG2 PRO 37 2HG PRO 37 -6.474 -11.486 -2.603 290 HG3 PRO 37 1HG PRO 37 -8.147 -11.068 -3.020 291 HD2 PRO 37 2HD PRO 37 -5.965 -9.324 -1.951 292 HD3 PRO 37 1HD PRO 37 -7.219 -8.957 -3.154 293 H VAL 38 HN VAL 38 -6.626 -8.880 0.854 294 HA VAL 38 HA VAL 38 -7.285 -10.092 3.425 295 HB VAL 38 HB VAL 38 -4.905 -8.349 2.780 296 HG11 VAL 38 1HG1 VAL 38 -3.948 -9.368 4.796 297 HG12 VAL 38 2HG1 VAL 38 -5.461 -10.235 5.069 298 HG13 VAL 38 3HG1 VAL 38 -5.425 -8.473 5.146 299 HG21 VAL 38 3HG2 VAL 38 -3.622 -10.411 2.561 300 HG22 VAL 38 1HG2 VAL 38 -4.916 -10.344 1.366 301 HG23 VAL 38 2HG2 VAL 38 -5.090 -11.360 2.796 302 H ILE 39 HN ILE 39 -6.146 -6.814 2.563 303 HA ILE 39 HA ILE 39 -7.748 -5.809 4.813 304 HB ILE 39 HB ILE 39 -6.300 -3.800 4.716 305 HG12 ILE 39 2HG1 ILE 39 -4.728 -5.389 2.671 306 HG13 ILE 39 1HG1 ILE 39 -5.695 -3.961 2.320 307 HG21 ILE 39 1HG2 ILE 39 -4.840 -6.422 5.002 308 HG22 ILE 39 2HG2 ILE 39 -5.774 -5.603 6.253 309 HG23 ILE 39 3HG2 ILE 39 -4.292 -4.871 5.636 310 HD11 ILE 39 3HD1 ILE 39 -3.347 -3.398 2.445 311 HD12 ILE 39 1HD1 ILE 39 -3.253 -4.071 4.071 312 HD13 ILE 39 2HD1 ILE 39 -4.228 -2.633 3.768 313 H GLY 40 HN GLY 40 -8.102 -6.124 1.610 314 HA2 GLY 40 2HA GLY 40 -8.720 -3.614 0.581 315 HA3 GLY 40 1HA GLY 40 -9.417 -5.126 0.026 316 HA PRO 41 HA PRO 41 -13.303 -3.998 1.788 317 HB2 PRO 41 2HB PRO 41 -13.794 -6.471 3.218 318 HB3 PRO 41 1HB PRO 41 -14.478 -5.925 1.685 319 HG2 PRO 41 2HG PRO 41 -12.733 -8.015 1.897 320 HG3 PRO 41 1HG PRO 41 -12.892 -7.013 0.444 321 HD2 PRO 41 2HD PRO 41 -10.834 -6.894 2.616 322 HD3 PRO 41 1HD PRO 41 -10.631 -6.726 0.858 323 H LEU 42 HN LEU 42 -10.769 -4.580 3.868 324 HA LEU 42 HA LEU 42 -12.208 -4.099 6.324 325 HB2 LEU 42 2HB LEU 42 -9.247 -4.095 5.709 326 HB3 LEU 42 1HB LEU 42 -9.924 -3.872 7.310 327 HG LEU 42 HG LEU 42 -10.139 -6.363 5.616 328 HD11 LEU 42 1HD1 LEU 42 -7.931 -6.049 6.590 329 HD12 LEU 42 2HD1 LEU 42 -8.779 -7.375 7.387 330 HD13 LEU 42 3HD1 LEU 42 -8.651 -5.806 8.182 331 HD21 LEU 42 3HD2 LEU 42 -11.249 -7.363 7.547 332 HD22 LEU 42 1HD2 LEU 42 -12.174 -5.997 6.921 333 HD23 LEU 42 2HD2 LEU 42 -11.207 -5.810 8.385 334 H SER 43 HN SER 43 -11.785 -2.171 7.645 335 HA SER 43 HA SER 43 -12.164 0.203 6.151 336 HB2 SER 43 2HB SER 43 -13.042 -0.152 8.454 337 HB3 SER 43 1HB SER 43 -11.396 -0.063 9.065 338 HG SER 43 HG SER 43 -13.075 1.949 8.161 339 H VAL 44 HN VAL 44 -10.791 1.927 5.778 340 HA VAL 44 HA VAL 44 -8.009 1.453 5.600 341 HB VAL 44 HB VAL 44 -9.201 3.126 4.215 342 HG11 VAL 44 1HG1 VAL 44 -9.779 5.309 5.119 343 HG12 VAL 44 2HG1 VAL 44 -9.298 4.785 6.732 344 HG13 VAL 44 3HG1 VAL 44 -10.678 4.031 5.938 345 HG21 VAL 44 3HG2 VAL 44 -6.939 4.279 5.844 346 HG22 VAL 44 1HG2 VAL 44 -7.481 4.856 4.267 347 HG23 VAL 44 2HG2 VAL 44 -6.781 3.245 4.423 348 H GLN 45 HN GLN 45 -10.072 2.368 8.153 349 HA GLN 45 HA GLN 45 -8.153 3.521 9.905 350 HB2 GLN 45 2HB GLN 45 -10.832 2.201 10.361 351 HB3 GLN 45 1HB GLN 45 -9.908 2.995 11.618 352 HG2 GLN 45 2HG GLN 45 -10.705 4.433 9.124 353 HG3 GLN 45 1HG GLN 45 -11.792 4.297 10.505 354 HE21 GLN 45 1HE2 GLN 45 -11.768 6.522 10.768 355 HE22 GLN 45 2HE2 GLN 45 -10.407 7.346 11.464 356 H ASP 46 HN ASP 46 -9.242 0.279 9.141 357 HA ASP 46 HA ASP 46 -8.042 -0.846 11.516 358 HB2 ASP 46 2HB ASP 46 -9.784 -1.876 9.349 359 HB3 ASP 46 1HB ASP 46 -8.761 -3.038 10.195 360 H VAL 47 HN VAL 47 -6.828 -0.016 8.524 361 HA VAL 47 HA VAL 47 -5.053 -2.164 8.053 362 HB VAL 47 HB VAL 47 -4.617 0.755 7.376 363 HG11 VAL 47 1HG1 VAL 47 -3.426 -1.757 6.206 364 HG12 VAL 47 2HG1 VAL 47 -2.586 -0.578 7.217 365 HG13 VAL 47 3HG1 VAL 47 -3.157 -0.119 5.612 366 HG21 VAL 47 3HG2 VAL 47 -6.719 0.016 6.448 367 HG22 VAL 47 1HG2 VAL 47 -5.963 -1.445 5.811 368 HG23 VAL 47 2HG2 VAL 47 -5.524 0.131 5.155 369 H ASP 48 HN ASP 48 -3.643 -2.888 9.489 370 HA ASP 48 HA ASP 48 -2.095 -0.952 11.072 371 HB2 ASP 48 2HB ASP 48 -3.701 -1.809 12.612 372 HB3 ASP 48 1HB ASP 48 -3.485 -3.451 12.030 373 H THR 49 HN THR 49 -0.154 -2.007 12.063 374 HA THR 49 HA THR 49 1.530 -2.850 9.996 375 HB THR 49 HB THR 49 2.059 -3.221 12.947 376 HG1 THR 49 1HG THR 49 2.734 -0.903 11.475 377 HG21 THR 49 3HG2 THR 49 3.722 -4.211 11.438 378 HG22 THR 49 1HG2 THR 49 4.385 -2.827 12.308 379 HG23 THR 49 2HG2 THR 49 3.902 -2.659 10.619 380 H LYS 50 HN LYS 50 -0.085 -4.698 12.553 381 HA LYS 50 HA LYS 50 1.210 -7.152 12.184 382 HB2 LYS 50 2HB LYS 50 -0.377 -6.435 14.046 383 HB3 LYS 50 1HB LYS 50 -1.694 -6.794 12.946 384 HG2 LYS 50 2HG LYS 50 0.366 -8.834 13.737 385 HG3 LYS 50 1HG LYS 50 -1.117 -8.559 14.648 386 HD2 LYS 50 2HD LYS 50 -2.414 -9.052 12.588 387 HD3 LYS 50 1HD LYS 50 -0.900 -9.433 11.766 388 HE2 LYS 50 2HE LYS 50 -2.096 -10.860 14.138 389 HE3 LYS 50 1HE LYS 50 -1.941 -11.477 12.494 390 HZ1 LYS 50 3HZ LYS 50 -0.201 -12.425 13.732 391 HZ2 LYS 50 1HZ LYS 50 0.221 -10.946 14.450 392 HZ3 LYS 50 2HZ LYS 50 0.526 -11.208 12.802 393 H LEU 51 HN LEU 51 -1.685 -5.802 10.667 394 HA LEU 51 HA LEU 51 -2.335 -8.069 9.112 395 HB2 LEU 51 2HB LEU 51 -3.006 -5.154 8.732 396 HB3 LEU 51 1HB LEU 51 -3.741 -6.464 7.838 397 HG LEU 51 HG LEU 51 -3.971 -5.982 10.801 398 HD11 LEU 51 1HD1 LEU 51 -6.014 -5.794 8.595 399 HD12 LEU 51 2HD1 LEU 51 -5.273 -4.430 9.431 400 HD13 LEU 51 3HD1 LEU 51 -6.318 -5.544 10.314 401 HD21 LEU 51 3HD2 LEU 51 -3.933 -8.367 10.320 402 HD22 LEU 51 1HD2 LEU 51 -5.180 -8.149 9.090 403 HD23 LEU 51 2HD2 LEU 51 -5.555 -7.851 10.786 404 H ILE 52 HN ILE 52 -0.497 -5.122 8.430 405 HA ILE 52 HA ILE 52 -0.027 -5.575 5.709 406 HB ILE 52 HB ILE 52 1.715 -4.119 7.709 407 HG12 ILE 52 2HG1 ILE 52 -0.393 -3.080 5.798 408 HG13 ILE 52 1HG1 ILE 52 -0.612 -3.281 7.535 409 HG21 ILE 52 1HG2 ILE 52 1.693 -3.997 4.696 410 HG22 ILE 52 2HG2 ILE 52 2.978 -4.655 5.708 411 HG23 ILE 52 3HG2 ILE 52 2.617 -2.929 5.751 412 HD11 ILE 52 3HD1 ILE 52 -0.178 -0.969 6.978 413 HD12 ILE 52 1HD1 ILE 52 1.333 -1.420 6.190 414 HD13 ILE 52 2HD1 ILE 52 1.150 -1.630 7.931 415 H MET 53 HN MET 53 1.775 -6.598 8.578 416 HA MET 53 HA MET 53 3.958 -7.775 7.237 417 HB2 MET 53 2HB MET 53 2.727 -8.345 9.935 418 HB3 MET 53 1HB MET 53 4.183 -9.145 9.362 419 HG2 MET 53 2HG MET 53 5.306 -6.979 9.195 420 HG3 MET 53 1HG MET 53 3.842 -6.182 9.769 421 HE1 MET 53 3HE MET 53 6.794 -5.900 11.065 422 HE2 MET 53 1HE MET 53 6.390 -5.931 12.779 423 HE3 MET 53 2HE MET 53 5.392 -5.006 11.661 424 H LYS 54 HN LYS 54 0.773 -9.014 8.090 425 HA LYS 54 HA LYS 54 1.329 -11.718 7.443 426 HB2 LYS 54 2HB LYS 54 -0.894 -10.225 8.411 427 HB3 LYS 54 1HB LYS 54 -1.430 -11.177 7.036 428 HG2 LYS 54 2HG LYS 54 0.031 -12.309 9.414 429 HG3 LYS 54 1HG LYS 54 -1.722 -12.300 9.231 430 HD2 LYS 54 2HD LYS 54 -1.202 -14.409 8.468 431 HD3 LYS 54 1HD LYS 54 -1.201 -13.492 6.962 432 HE2 LYS 54 2HE LYS 54 0.732 -14.869 6.926 433 HE3 LYS 54 1HE LYS 54 1.282 -13.225 7.245 434 HZ1 LYS 54 3HZ LYS 54 1.409 -13.789 9.616 435 HZ2 LYS 54 1HZ LYS 54 2.411 -14.786 8.676 436 HZ3 LYS 54 2HZ LYS 54 0.939 -15.381 9.263 437 H VAL 55 HN VAL 55 0.073 -8.985 5.613 438 HA VAL 55 HA VAL 55 -0.563 -10.428 3.251 439 HB VAL 55 HB VAL 55 0.185 -7.506 3.499 440 HG11 VAL 55 1HG1 VAL 55 0.280 -8.309 1.201 441 HG12 VAL 55 2HG1 VAL 55 -1.099 -7.232 1.426 442 HG13 VAL 55 3HG1 VAL 55 -1.344 -8.976 1.358 443 HG21 VAL 55 3HG2 VAL 55 -1.668 -8.040 4.970 444 HG22 VAL 55 1HG2 VAL 55 -2.512 -8.843 3.644 445 HG23 VAL 55 2HG2 VAL 55 -2.238 -7.101 3.589 446 H LEU 56 HN LEU 56 2.290 -8.572 4.247 447 HA LEU 56 HA LEU 56 3.645 -8.895 1.755 448 HB2 LEU 56 2HB LEU 56 4.621 -7.988 4.459 449 HB3 LEU 56 1HB LEU 56 5.590 -7.938 3.000 450 HG LEU 56 HG LEU 56 3.016 -6.423 3.424 451 HD11 LEU 56 1HD1 LEU 56 5.880 -5.494 3.453 452 HD12 LEU 56 2HD1 LEU 56 4.810 -5.609 4.848 453 HD13 LEU 56 3HD1 LEU 56 4.457 -4.458 3.559 454 HD21 LEU 56 3HD2 LEU 56 3.413 -6.984 1.081 455 HD22 LEU 56 1HD2 LEU 56 5.040 -6.312 1.188 456 HD23 LEU 56 2HD2 LEU 56 3.636 -5.258 1.367 457 H ASP 57 HN ASP 57 3.431 -10.798 4.607 458 HA ASP 57 HA ASP 57 5.921 -11.902 4.889 459 HB2 ASP 57 2HB ASP 57 3.748 -12.252 6.266 460 HB3 ASP 57 1HB ASP 57 3.493 -13.632 5.211 461 HA PRO 58 HA PRO 58 5.050 -15.433 1.760 462 HB2 PRO 58 2HB PRO 58 2.876 -15.315 0.158 463 HB3 PRO 58 1HB PRO 58 2.835 -16.052 1.764 464 HG2 PRO 58 2HG PRO 58 1.913 -13.347 0.893 465 HG3 PRO 58 1HG PRO 58 1.147 -14.483 2.016 466 HD2 PRO 58 2HD PRO 58 2.607 -12.322 2.817 467 HD3 PRO 58 1HD PRO 58 2.439 -13.802 3.781 468 H ILE 59 HN ILE 59 4.506 -12.121 1.016 469 HA ILE 59 HA ILE 59 4.978 -12.306 -1.804 470 HB ILE 59 HB ILE 59 5.046 -9.882 0.005 471 HG12 ILE 59 2HG1 ILE 59 2.863 -10.966 -1.791 472 HG13 ILE 59 1HG1 ILE 59 2.863 -11.016 -0.032 473 HG21 ILE 59 1HG2 ILE 59 4.774 -8.586 -2.068 474 HG22 ILE 59 2HG2 ILE 59 4.927 -10.074 -3.006 475 HG23 ILE 59 3HG2 ILE 59 6.289 -9.491 -2.048 476 HD11 ILE 59 3HD1 ILE 59 2.796 -8.539 -1.736 477 HD12 ILE 59 1HD1 ILE 59 2.824 -8.573 0.026 478 HD13 ILE 59 2HD1 ILE 59 1.443 -9.238 -0.845 479 H TRP 60 HN TRP 60 6.934 -11.596 1.044 480 HA TRP 60 HA TRP 60 9.237 -10.634 -0.221 481 HB2 TRP 60 2HB TRP 60 8.931 -12.198 2.344 482 HB3 TRP 60 1HB TRP 60 10.450 -11.482 1.823 483 HD1 TRP 60 1HD TRP 60 7.546 -10.738 3.907 484 HE1 TRP 60 1HE TRP 60 7.415 -8.230 4.461 485 HE3 TRP 60 3HE TRP 60 10.904 -8.981 0.480 486 HZ2 TRP 60 2HZ TRP 60 8.585 -5.816 3.560 487 HZ3 TRP 60 3HZ TRP 60 11.345 -6.564 0.390 488 HH2 TRP 60 2HH TRP 60 10.210 -5.014 1.898 489 H GLU 61 HN GLU 61 8.042 -13.890 0.123 490 HA GLU 61 HA GLU 61 10.480 -15.200 -0.478 491 HB2 GLU 61 2HB GLU 61 7.605 -16.087 -0.555 492 HB3 GLU 61 1HB GLU 61 8.964 -17.146 -0.842 493 HG2 GLU 61 2HG GLU 61 9.817 -16.489 1.433 494 HG3 GLU 61 1HG GLU 61 8.247 -15.726 1.688 495 H GLN 62 HN GLN 62 7.933 -13.804 -2.381 496 HA GLN 62 HA GLN 62 8.901 -15.193 -4.772 497 HB2 GLN 62 2HB GLN 62 6.296 -13.746 -4.268 498 HB3 GLN 62 1HB GLN 62 6.741 -14.532 -5.773 499 HG2 GLN 62 2HG GLN 62 6.386 -15.881 -3.110 500 HG3 GLN 62 1HG GLN 62 5.252 -15.926 -4.458 501 HE21 GLN 62 1HE2 GLN 62 7.362 -16.149 -6.467 502 HE22 GLN 62 2HE2 GLN 62 7.953 -17.770 -6.353 503 H LYS 63 HN LYS 63 7.941 -11.952 -3.640 504 HA LYS 63 HA LYS 63 9.543 -10.800 -5.817 505 HB2 LYS 63 2HB LYS 63 6.728 -9.938 -5.116 506 HB3 LYS 63 1HB LYS 63 7.771 -9.166 -6.300 507 HG2 LYS 63 2HG LYS 63 7.702 -11.120 -7.706 508 HG3 LYS 63 1HG LYS 63 6.787 -12.005 -6.483 509 HD2 LYS 63 2HD LYS 63 4.933 -10.434 -6.717 510 HD3 LYS 63 1HD LYS 63 5.847 -9.520 -7.921 511 HE2 LYS 63 2HE LYS 63 5.860 -11.449 -9.398 512 HE3 LYS 63 1HE LYS 63 5.009 -12.405 -8.186 513 HZ1 LYS 63 3HZ LYS 63 3.547 -11.536 -9.942 514 HZ2 LYS 63 1HZ LYS 63 3.915 -9.953 -9.463 515 HZ3 LYS 63 2HZ LYS 63 3.099 -10.994 -8.402 516 HA PRO 64 HA PRO 64 10.463 -8.776 -1.730 517 HB2 PRO 64 2HB PRO 64 13.168 -8.693 -2.897 518 HB3 PRO 64 1HB PRO 64 12.644 -9.285 -1.319 519 HG2 PRO 64 2HG PRO 64 13.424 -10.973 -3.248 520 HG3 PRO 64 1HG PRO 64 12.108 -11.382 -2.130 521 HD2 PRO 64 2HD PRO 64 11.956 -10.410 -4.963 522 HD3 PRO 64 1HD PRO 64 11.009 -11.679 -4.156 523 H GLU 65 HN GLU 65 11.775 -8.001 -4.943 524 HA GLU 65 HA GLU 65 12.154 -5.253 -4.505 525 HB2 GLU 65 2HB GLU 65 13.143 -6.478 -6.387 526 HB3 GLU 65 1HB GLU 65 11.546 -6.705 -7.075 527 HG2 GLU 65 2HG GLU 65 11.318 -4.297 -7.365 528 HG3 GLU 65 1HG GLU 65 12.922 -4.066 -6.668 529 H THR 66 HN THR 66 9.385 -7.092 -5.659 530 HA THR 66 HA THR 66 7.795 -4.823 -6.305 531 HB THR 66 HB THR 66 6.800 -7.611 -5.694 532 HG1 THR 66 1HG THR 66 7.073 -7.386 -8.265 533 HG21 THR 66 3HG2 THR 66 5.750 -5.418 -7.496 534 HG22 THR 66 1HG2 THR 66 5.048 -5.919 -5.956 535 HG23 THR 66 2HG2 THR 66 5.048 -7.027 -7.327 536 H ALA 67 HN ALA 67 8.278 -6.765 -3.438 537 HA ALA 67 HA ALA 67 6.013 -5.986 -1.981 538 HB1 ALA 67 1HB ALA 67 8.723 -6.784 -0.943 539 HB2 ALA 67 2HB ALA 67 7.386 -7.872 -1.314 540 HB3 ALA 67 3HB ALA 67 7.238 -6.709 0.004 541 H SER 68 HN SER 68 9.227 -4.476 -2.225 542 HA SER 68 HA SER 68 8.638 -2.461 -0.301 543 HB2 SER 68 2HB SER 68 10.646 -1.312 -1.501 544 HB3 SER 68 1HB SER 68 10.919 -2.799 -0.596 545 HG SER 68 HG SER 68 10.760 -2.432 -3.397 546 H ARG 69 HN ARG 69 8.265 -2.724 -3.780 547 HA ARG 69 HA ARG 69 7.553 -0.032 -4.263 548 HB2 ARG 69 2HB ARG 69 7.041 -2.601 -5.755 549 HB3 ARG 69 1HB ARG 69 6.495 -1.049 -6.347 550 HG2 ARG 69 2HG ARG 69 8.812 -0.255 -6.393 551 HG3 ARG 69 1HG ARG 69 9.342 -1.840 -5.831 552 HD2 ARG 69 2HD ARG 69 8.477 -2.888 -7.828 553 HD3 ARG 69 1HD ARG 69 7.806 -1.351 -8.375 554 HE ARG 69 HE ARG 69 10.273 -0.618 -8.324 555 HH11 ARG 69 1HH1 ARG 69 9.124 -3.811 -9.181 556 HH12 ARG 69 2HH1 ARG 69 10.495 -4.179 -10.179 557 HH21 ARG 69 1HH2 ARG 69 12.067 -1.086 -9.668 558 HH22 ARG 69 2HH2 ARG 69 12.153 -2.618 -10.476 559 H LEU 70 HN LEU 70 5.781 -2.878 -3.275 560 HA LEU 70 HA LEU 70 3.180 -1.770 -3.564 561 HB2 LEU 70 2HB LEU 70 3.636 -4.197 -3.415 562 HB3 LEU 70 1HB LEU 70 4.129 -3.992 -1.745 563 HG LEU 70 HG LEU 70 1.832 -3.239 -1.191 564 HD11 LEU 70 1HD1 LEU 70 1.195 -2.393 -3.388 565 HD12 LEU 70 2HD1 LEU 70 0.036 -3.587 -2.803 566 HD13 LEU 70 3HD1 LEU 70 1.218 -4.033 -4.034 567 HD21 LEU 70 3HD2 LEU 70 0.796 -5.454 -1.367 568 HD22 LEU 70 1HD2 LEU 70 2.479 -5.553 -0.850 569 HD23 LEU 70 2HD2 LEU 70 2.045 -5.940 -2.515 570 H ARG 71 HN ARG 71 5.484 -1.982 -0.887 571 HA ARG 71 HA ARG 71 3.823 -0.978 1.130 572 HB2 ARG 71 2HB ARG 71 6.805 -1.068 0.786 573 HB3 ARG 71 1HB ARG 71 6.072 -0.303 2.186 574 HG2 ARG 71 2HG ARG 71 4.901 -2.440 2.673 575 HG3 ARG 71 1HG ARG 71 5.810 -3.179 1.352 576 HD2 ARG 71 2HD ARG 71 7.110 -1.790 3.685 577 HD3 ARG 71 1HD ARG 71 6.755 -3.516 3.663 578 HE ARG 71 HE ARG 71 8.238 -3.627 1.672 579 HH11 ARG 71 1HH1 ARG 71 8.531 -0.902 3.844 580 HH12 ARG 71 2HH1 ARG 71 10.246 -0.714 3.588 581 HH21 ARG 71 1HH2 ARG 71 10.510 -3.402 1.341 582 HH22 ARG 71 2HH2 ARG 71 11.366 -2.138 2.168 583 H GLY 72 HN GLY 72 5.999 0.676 -1.124 584 HA2 GLY 72 2HA GLY 72 5.768 3.260 -0.052 585 HA3 GLY 72 1HA GLY 72 6.138 2.886 -1.730 586 H ARG 73 HN ARG 73 3.737 1.524 -2.347 587 HA ARG 73 HA ARG 73 2.072 3.748 -2.944 588 HB2 ARG 73 2HB ARG 73 1.749 0.779 -3.363 589 HB3 ARG 73 1HB ARG 73 0.521 1.942 -3.852 590 HG2 ARG 73 2HG ARG 73 2.190 3.071 -5.269 591 HG3 ARG 73 1HG ARG 73 3.370 1.841 -4.822 592 HD2 ARG 73 2HD ARG 73 0.740 1.082 -6.037 593 HD3 ARG 73 1HD ARG 73 2.087 1.598 -7.047 594 HE ARG 73 HE ARG 73 3.017 -0.390 -5.324 595 HH11 ARG 73 1HH1 ARG 73 0.760 -0.044 -7.972 596 HH12 ARG 73 2HH1 ARG 73 0.993 -1.655 -8.571 597 HH21 ARG 73 1HH2 ARG 73 3.346 -2.524 -6.110 598 HH22 ARG 73 2HH2 ARG 73 2.477 -3.066 -7.508 599 H ILE 74 HN ILE 74 1.796 1.013 -0.700 600 HA ILE 74 HA ILE 74 -0.764 1.607 0.295 601 HB ILE 74 HB ILE 74 1.553 0.304 1.741 602 HG12 ILE 74 2HG1 ILE 74 -0.777 -0.929 0.253 603 HG13 ILE 74 1HG1 ILE 74 0.873 -0.833 -0.353 604 HG21 ILE 74 1HG2 ILE 74 -0.117 1.079 3.321 605 HG22 ILE 74 2HG2 ILE 74 -0.167 -0.679 3.200 606 HG23 ILE 74 3HG2 ILE 74 -1.395 0.297 2.391 607 HD11 ILE 74 3HD1 ILE 74 1.618 -2.231 1.524 608 HD12 ILE 74 1HD1 ILE 74 0.425 -3.039 0.507 609 HD13 ILE 74 2HD1 ILE 74 -0.057 -2.364 2.064 610 H GLU 75 HN GLU 75 2.448 2.575 1.446 611 HA GLU 75 HA GLU 75 1.745 4.115 3.655 612 HB2 GLU 75 2HB GLU 75 4.050 3.545 3.088 613 HB3 GLU 75 1HB GLU 75 3.970 4.536 1.644 614 HG2 GLU 75 2HG GLU 75 3.538 6.497 3.166 615 HG3 GLU 75 1HG GLU 75 3.966 5.435 4.506 616 H SER 76 HN SER 76 2.058 5.072 0.266 617 HA SER 76 HA SER 76 1.566 7.801 0.606 618 HB2 SER 76 2HB SER 76 0.981 6.081 -1.799 619 HB3 SER 76 1HB SER 76 1.108 7.837 -1.802 620 HG SER 76 HG SER 76 3.178 5.996 -1.128 621 H VAL 77 HN VAL 77 -0.668 5.126 -0.078 622 HA VAL 77 HA VAL 77 -2.968 6.762 -0.336 623 HB VAL 77 HB VAL 77 -2.774 3.830 0.384 624 HG11 VAL 77 1HG1 VAL 77 -4.921 4.775 1.061 625 HG12 VAL 77 2HG1 VAL 77 -5.111 3.680 -0.308 626 HG13 VAL 77 3HG1 VAL 77 -5.155 5.426 -0.562 627 HG21 VAL 77 3HG2 VAL 77 -1.792 4.340 -1.781 628 HG22 VAL 77 1HG2 VAL 77 -3.255 5.198 -2.261 629 HG23 VAL 77 2HG2 VAL 77 -3.307 3.457 -1.983 630 H LEU 78 HN LEU 78 -1.650 4.887 2.390 631 HA LEU 78 HA LEU 78 -3.714 5.453 4.210 632 HB2 LEU 78 2HB LEU 78 -0.811 4.806 4.698 633 HB3 LEU 78 1HB LEU 78 -2.010 4.908 5.971 634 HG LEU 78 HG LEU 78 -2.003 2.929 3.694 635 HD11 LEU 78 1HD1 LEU 78 -1.624 1.289 5.476 636 HD12 LEU 78 2HD1 LEU 78 -1.519 2.600 6.649 637 HD13 LEU 78 3HD1 LEU 78 -0.313 2.464 5.371 638 HD21 LEU 78 3HD2 LEU 78 -3.918 1.914 4.825 639 HD22 LEU 78 1HD2 LEU 78 -4.281 3.562 4.313 640 HD23 LEU 78 2HD2 LEU 78 -3.920 3.225 6.005 641 H ASP 79 HN ASP 79 -0.671 7.158 3.570 642 HA ASP 79 HA ASP 79 -0.972 9.051 5.666 643 HB2 ASP 79 2HB ASP 79 1.198 8.565 4.561 644 HB3 ASP 79 1HB ASP 79 0.602 9.335 3.092 645 H TRP 80 HN TRP 80 -1.797 9.081 2.234 646 HA TRP 80 HA TRP 80 -2.836 11.674 2.041 647 HB2 TRP 80 2HB TRP 80 -2.394 10.273 0.089 648 HB3 TRP 80 1HB TRP 80 -3.632 9.132 0.596 649 HD1 TRP 80 1HD TRP 80 -3.270 12.683 -0.860 650 HE1 TRP 80 1HE TRP 80 -5.470 13.292 -2.057 651 HE3 TRP 80 3HE TRP 80 -6.071 8.625 0.500 652 HZ2 TRP 80 2HZ TRP 80 -8.055 12.177 -2.372 653 HZ3 TRP 80 3HZ TRP 80 -8.391 8.477 -0.292 654 HH2 TRP 80 2HH TRP 80 -9.359 10.217 -1.697 655 H ALA 81 HN ALA 81 -4.387 8.612 2.917 656 HA ALA 81 HA ALA 81 -6.981 9.620 3.359 657 HB1 ALA 81 1HB ALA 81 -5.644 7.241 4.645 658 HB2 ALA 81 2HB ALA 81 -6.485 7.235 3.095 659 HB3 ALA 81 3HB ALA 81 -7.378 7.552 4.582 660 H THR 82 HN THR 82 -4.108 9.531 5.350 661 HA THR 82 HA THR 82 -5.301 10.121 7.838 662 HB THR 82 HB THR 82 -2.529 10.896 6.893 663 HG1 THR 82 1HG THR 82 -3.098 8.592 6.738 664 HG21 THR 82 3HG2 THR 82 -3.660 10.487 9.666 665 HG22 THR 82 1HG2 THR 82 -3.155 12.021 8.952 666 HG23 THR 82 2HG2 THR 82 -1.959 10.770 9.292 667 H VAL 83 HN VAL 83 -3.975 12.187 5.273 668 HA VAL 83 HA VAL 83 -4.478 14.634 6.652 669 HB VAL 83 HB VAL 83 -4.021 14.172 3.698 670 HG11 VAL 83 1HG1 VAL 83 -5.014 16.339 4.135 671 HG12 VAL 83 2HG1 VAL 83 -3.328 16.514 3.644 672 HG13 VAL 83 3HG1 VAL 83 -3.775 16.682 5.342 673 HG21 VAL 83 3HG2 VAL 83 -2.043 14.856 5.874 674 HG22 VAL 83 1HG2 VAL 83 -1.688 14.730 4.150 675 HG23 VAL 83 2HG2 VAL 83 -2.185 13.299 5.054 676 H ARG 84 HN ARG 84 -6.162 12.897 4.043 677 HA ARG 84 HA ARG 84 -8.239 14.764 3.714 678 HB2 ARG 84 2HB ARG 84 -7.582 12.070 2.800 679 HB3 ARG 84 1HB ARG 84 -9.311 12.352 2.957 680 HG2 ARG 84 2HG ARG 84 -8.519 12.848 0.716 681 HG3 ARG 84 1HG ARG 84 -9.149 14.282 1.520 682 HD2 ARG 84 2HD ARG 84 -6.757 14.834 2.122 683 HD3 ARG 84 1HD ARG 84 -6.278 13.557 1.002 684 HE ARG 84 HE ARG 84 -8.053 15.265 -0.324 685 HH11 ARG 84 1HH1 ARG 84 -4.770 15.277 0.941 686 HH12 ARG 84 2HH1 ARG 84 -4.251 16.556 -0.117 687 HH21 ARG 84 1HH2 ARG 84 -7.349 16.932 -1.693 688 HH22 ARG 84 2HH2 ARG 84 -5.703 17.479 -1.612 689 H GLY 85 HN GLY 85 -7.691 12.384 6.140 690 HA2 GLY 85 2HA GLY 85 -8.839 12.283 8.173 691 HA3 GLY 85 1HA GLY 85 -10.128 13.246 7.466 692 H TYR 86 HN TYR 86 -8.872 10.361 5.947 693 HA TYR 86 HA TYR 86 -11.474 9.087 6.294 694 HB2 TYR 86 2HB TYR 86 -9.082 8.309 4.617 695 HB3 TYR 86 1HB TYR 86 -10.563 7.361 4.720 696 HD1 TYR 86 2HD TYR 86 -12.735 9.114 4.461 697 HD2 TYR 86 1HD TYR 86 -8.909 9.443 2.624 698 HE1 TYR 86 2HE TYR 86 -13.723 10.466 2.661 699 HE2 TYR 86 1HE TYR 86 -9.888 10.795 0.819 700 HH TYR 86 HH TYR 86 -12.109 11.147 -0.233 701 H ARG 87 HN ARG 87 -8.156 8.818 7.324 702 HA ARG 87 HA ARG 87 -9.094 6.919 9.335 703 HB2 ARG 87 2HB ARG 87 -7.057 5.605 9.252 704 HB3 ARG 87 1HB ARG 87 -7.860 5.572 7.691 705 HG2 ARG 87 2HG ARG 87 -6.233 6.874 6.685 706 HG3 ARG 87 1HG ARG 87 -5.653 7.513 8.228 707 HD2 ARG 87 2HD ARG 87 -5.456 4.591 7.547 708 HD3 ARG 87 1HD ARG 87 -4.212 5.740 7.056 709 HE ARG 87 HE ARG 87 -3.702 6.119 9.351 710 HH11 ARG 87 1HH1 ARG 87 -5.981 3.493 8.849 711 HH12 ARG 87 2HH1 ARG 87 -5.719 2.814 10.429 712 HH21 ARG 87 1HH2 ARG 87 -3.357 5.194 11.400 713 HH22 ARG 87 2HH2 ARG 87 -4.250 3.781 11.881 714 H GLU 88 HN GLU 88 -7.364 6.706 11.099 715 HA GLU 88 HA GLU 88 -7.040 9.324 12.164 716 HB2 GLU 88 2HB GLU 88 -6.162 6.633 13.225 717 HB3 GLU 88 1HB GLU 88 -6.153 8.136 14.145 718 HG2 GLU 88 2HG GLU 88 -8.553 8.320 13.939 719 HG3 GLU 88 1HG GLU 88 -8.603 6.891 12.916 720 H GLY 89 HN GLY 89 -4.816 9.591 13.497 721 HA2 GLY 89 2HA GLY 89 -3.173 10.507 11.329 722 HA3 GLY 89 1HA GLY 89 -2.975 10.874 13.021 723 H ASP 90 HN ASP 90 -3.030 7.583 11.903 724 HA ASP 90 HA ASP 90 -0.123 7.484 12.391 725 HB2 ASP 90 2HB ASP 90 -1.478 6.352 14.152 726 HB3 ASP 90 1HB ASP 90 -2.067 5.236 12.923 727 H ASN 91 HN ASN 91 1.150 6.310 11.023 728 HA ASN 91 HA ASN 91 -0.162 5.016 8.724 729 HB2 ASN 91 2HB ASN 91 0.883 7.104 7.978 730 HB3 ASN 91 1HB ASN 91 2.410 6.618 8.708 731 HD21 ASN 91 1HD2 ASN 91 0.287 6.232 5.998 732 HD22 ASN 91 2HD2 ASN 91 1.356 5.279 5.040 733 HA PRO 92 HA PRO 92 2.334 1.885 10.951 734 HB2 PRO 92 2HB PRO 92 0.717 -0.202 10.415 735 HB3 PRO 92 1HB PRO 92 0.359 0.964 11.695 736 HG2 PRO 92 2HG PRO 92 -0.725 0.826 8.904 737 HG3 PRO 92 1HG PRO 92 -1.594 1.098 10.427 738 HD2 PRO 92 2HD PRO 92 -0.908 3.118 8.762 739 HD3 PRO 92 1HD PRO 92 -0.986 3.317 10.524 740 H ALA 93 HN ALA 93 1.963 2.579 7.775 741 HA ALA 93 HA ALA 93 3.044 0.080 6.726 742 HB1 ALA 93 1HB ALA 93 2.778 1.108 4.528 743 HB2 ALA 93 2HB ALA 93 2.300 2.627 5.287 744 HB3 ALA 93 3HB ALA 93 1.277 1.200 5.451 745 H ARG 94 HN ARG 94 4.071 3.203 7.728 746 HA ARG 94 HA ARG 94 6.576 3.065 6.277 747 HB2 ARG 94 2HB ARG 94 5.474 5.232 6.545 748 HB3 ARG 94 1HB ARG 94 5.583 5.085 8.291 749 HG2 ARG 94 2HG ARG 94 7.958 5.265 8.227 750 HG3 ARG 94 1HG ARG 94 7.971 5.157 6.466 751 HD2 ARG 94 2HD ARG 94 6.691 7.376 8.063 752 HD3 ARG 94 1HD ARG 94 8.273 7.467 7.291 753 HE ARG 94 HE ARG 94 6.609 6.773 5.249 754 HH11 ARG 94 1HH1 ARG 94 6.574 9.361 7.617 755 HH12 ARG 94 2HH1 ARG 94 5.767 10.485 6.572 756 HH21 ARG 94 1HH2 ARG 94 5.553 8.270 3.866 757 HH22 ARG 94 2HH2 ARG 94 5.175 9.863 4.449 758 H TRP 95 HN TRP 95 8.404 2.360 7.046 759 HA TRP 95 HA TRP 95 8.495 1.473 9.852 760 HB2 TRP 95 2HB TRP 95 9.216 0.136 7.322 761 HB3 TRP 95 1HB TRP 95 10.373 -0.058 8.636 762 HD1 TRP 95 1HD TRP 95 9.055 -0.827 11.077 763 HE1 TRP 95 1HE TRP 95 7.379 -2.760 11.331 764 HE3 TRP 95 3HE TRP 95 7.538 -1.204 6.213 765 HZ2 TRP 95 2HZ TRP 95 5.628 -4.245 9.674 766 HZ3 TRP 95 3HZ TRP 95 5.858 -2.905 5.631 767 HH2 TRP 95 2HH TRP 95 4.924 -4.392 7.326 768 H ARG 96 HN ARG 96 9.891 2.545 11.058 769 HA ARG 96 HA ARG 96 12.037 4.091 10.000 770 HB2 ARG 96 2HB ARG 96 12.686 4.412 12.323 771 HB3 ARG 96 1HB ARG 96 10.944 4.585 12.173 772 HG2 ARG 96 2HG ARG 96 10.532 2.535 13.204 773 HG3 ARG 96 1HG ARG 96 12.185 1.976 12.955 774 HD2 ARG 96 2HD ARG 96 12.926 3.790 14.522 775 HD3 ARG 96 1HD ARG 96 11.223 4.074 14.885 776 HE ARG 96 HE ARG 96 11.108 1.941 15.898 777 HH11 ARG 96 1HH1 ARG 96 14.330 2.840 14.896 778 HH12 ARG 96 2HH1 ARG 96 15.112 1.597 15.818 779 HH21 ARG 96 1HH2 ARG 96 12.123 0.291 17.119 780 HH22 ARG 96 2HH2 ARG 96 13.855 0.164 17.110 781 H GLY 97 HN GLY 97 11.622 0.801 10.939 782 HA2 GLY 97 2HA GLY 97 14.036 -0.084 9.847 783 HA3 GLY 97 1HA GLY 97 14.276 0.126 11.574 784 H TYR 98 HN TYR 98 12.500 -1.623 9.111 785 HA TYR 98 HA TYR 98 11.897 -3.720 11.095 786 HB2 TYR 98 2HB TYR 98 9.945 -3.033 9.804 787 HB3 TYR 98 1HB TYR 98 10.812 -3.304 8.296 788 HD1 TYR 98 1HD TYR 98 10.040 -5.219 11.417 789 HD2 TYR 98 2HD TYR 98 10.257 -5.243 7.168 790 HE1 TYR 98 1HE TYR 98 9.234 -7.543 11.397 791 HE2 TYR 98 2HE TYR 98 9.455 -7.568 7.135 792 HH TYR 98 HH TYR 98 8.166 -9.121 9.926 793 H LEU 99 HN LEU 99 13.195 -3.120 7.874 794 HA LEU 99 HA LEU 99 14.666 -5.661 7.929 795 HB2 LEU 99 2HB LEU 99 14.212 -3.656 5.717 796 HB3 LEU 99 1HB LEU 99 15.131 -5.136 5.558 797 HG LEU 99 HG LEU 99 12.185 -4.986 6.190 798 HD11 LEU 99 1HD1 LEU 99 13.619 -5.690 3.636 799 HD12 LEU 99 2HD1 LEU 99 12.638 -4.253 3.927 800 HD13 LEU 99 3HD1 LEU 99 11.886 -5.848 3.916 801 HD21 LEU 99 3HD2 LEU 99 13.309 -6.965 7.128 802 HD22 LEU 99 1HD2 LEU 99 13.920 -7.361 5.522 803 HD23 LEU 99 2HD2 LEU 99 12.185 -7.382 5.835 804 H GLU 100 HN GLU 100 15.202 -3.096 9.389 805 HA GLU 100 HA GLU 100 17.291 -1.642 8.284 806 HB2 GLU 100 2HB GLU 100 15.973 -0.897 10.229 807 HB3 GLU 100 1HB GLU 100 16.737 -2.138 11.213 808 HG2 GLU 100 2HG GLU 100 18.884 -1.080 10.971 809 HG3 GLU 100 1HG GLU 100 18.217 0.098 9.842 810 H HIS 101 HN HIS 101 19.248 -2.165 7.788 811 HA HIS 101 HA HIS 101 20.943 -3.642 9.587 812 HB2 HIS 101 2HB HIS 101 21.582 -5.404 8.054 813 HB3 HIS 101 1HB HIS 101 19.843 -5.474 8.287 814 HD1 HIS 101 1HD HIS 101 18.348 -4.669 6.252 815 HD2 HIS 101 2HD HIS 101 22.415 -5.019 5.447 816 HE1 HIS 101 1HE HIS 101 18.547 -4.670 3.744 817 HE2 HIS 101 2HE HIS 101 21.027 -4.741 3.280 818 H HIS 102 HN HIS 102 23.122 -3.127 9.218 819 HA HIS 102 HA HIS 102 23.366 -0.762 7.567 820 HB2 HIS 102 2HB HIS 102 24.391 -1.344 9.995 821 HB3 HIS 102 1HB HIS 102 25.763 -1.758 8.969 822 HD1 HIS 102 1HD HIS 102 23.413 1.144 9.586 823 HD2 HIS 102 2HD HIS 102 27.242 0.386 8.163 824 HE1 HIS 102 1HE HIS 102 24.443 3.400 9.180 825 HE2 HIS 102 2HE HIS 102 26.818 2.922 8.501 826 H HIS 103 HN HIS 103 24.266 -0.626 5.667 827 HA HIS 103 HA HIS 103 25.633 -2.998 4.586 828 HB2 HIS 103 2HB HIS 103 23.604 -2.449 3.383 829 HB3 HIS 103 1HB HIS 103 24.109 -0.774 3.211 830 HD1 HIS 103 1HD HIS 103 24.982 -4.237 1.956 831 HD2 HIS 103 2HD HIS 103 25.650 -0.243 1.004 832 HE1 HIS 103 1HE HIS 103 26.082 -4.254 -0.306 833 HE2 HIS 103 2HE HIS 103 26.268 -1.821 -0.953 834 H HIS 104 HN HIS 104 27.668 -2.856 3.898 835 HA HIS 104 HA HIS 104 28.846 -0.299 3.205 836 HB2 HIS 104 2HB HIS 104 29.533 -1.772 5.690 837 HB3 HIS 104 1HB HIS 104 30.880 -1.145 4.750 838 HD1 HIS 104 1HD HIS 104 29.222 -0.211 7.594 839 HD2 HIS 104 2HD HIS 104 29.907 1.795 4.012 840 HE1 HIS 104 1HE HIS 104 29.018 2.240 8.131 841 HE2 HIS 104 2HE HIS 104 29.515 3.438 5.970 842 H HIS 105 HN HIS 105 30.474 -0.490 1.749 843 HA HIS 105 HA HIS 105 31.707 -3.129 1.436 844 HB2 HIS 105 2HB HIS 105 31.667 -3.006 -0.987 845 HB3 HIS 105 1HB HIS 105 30.027 -2.908 -0.368 846 HD1 HIS 105 1HD HIS 105 32.295 -1.330 -2.688 847 HD2 HIS 105 2HD HIS 105 29.027 -0.109 -0.419 848 HE1 HIS 105 1HE HIS 105 31.482 0.797 -3.755 849 HE2 HIS 105 2HE HIS 105 29.361 1.367 -2.518 850 H HIS 106 HN HIS 106 33.753 -2.934 1.831 851 HA HIS 106 HA HIS 106 35.832 -2.088 2.168 852 HB2 HIS 106 2HB HIS 106 35.078 -0.137 -0.021 853 HB3 HIS 106 1HB HIS 106 36.691 -0.334 0.643 854 HD1 HIS 106 1HD HIS 106 36.340 -0.719 -2.307 855 HD2 HIS 106 2HD HIS 106 35.963 -3.824 0.435 856 HE1 HIS 106 1HE HIS 106 36.748 -2.832 -3.613 857 HE2 HIS 106 2HE HIS 106 36.659 -4.684 -1.905 Start of MODEL 12 1 H1 MET 1 H1 MET 1 -15.187 4.546 5.481 2 H2 MET 1 H2 MET 1 -13.904 3.729 6.236 3 H3 MET 1 H3 MET 1 -15.191 2.851 5.568 4 HA MET 1 HA MET 1 -14.605 3.524 3.364 5 HB2 MET 1 2HB MET 1 -13.705 5.748 3.992 6 HB3 MET 1 1HB MET 1 -12.303 4.968 4.709 7 HG2 MET 1 2HG MET 1 -11.758 5.833 2.523 8 HG3 MET 1 1HG MET 1 -11.685 4.072 2.522 9 HE1 MET 1 2HE MET 1 -14.905 6.329 2.458 10 HE2 MET 1 3HE MET 1 -15.212 6.459 0.725 11 HE3 MET 1 1HE MET 1 -13.792 7.233 1.429 12 H THR 2 HN THR 2 -13.589 1.867 2.308 13 HA THR 2 HA THR 2 -11.955 0.094 3.963 14 HB THR 2 HB THR 2 -12.181 -1.540 2.144 15 HG1 THR 2 1HG THR 2 -14.041 0.061 0.789 16 HG21 THR 2 3HG2 THR 2 -14.615 -1.880 2.279 17 HG22 THR 2 1HG2 THR 2 -14.796 -0.253 2.931 18 HG23 THR 2 2HG2 THR 2 -13.920 -1.478 3.848 19 H PHE 3 HN PHE 3 -10.033 -0.930 2.907 20 HA PHE 3 HA PHE 3 -8.168 1.056 2.226 21 HB2 PHE 3 2HB PHE 3 -7.537 -1.055 3.301 22 HB3 PHE 3 1HB PHE 3 -7.986 -1.938 1.846 23 HD1 PHE 3 1HD PHE 3 -5.694 0.740 3.047 24 HD2 PHE 3 2HD PHE 3 -6.396 -2.364 0.215 25 HE1 PHE 3 1HE PHE 3 -3.412 1.023 2.176 26 HE2 PHE 3 2HE PHE 3 -4.115 -2.079 -0.661 27 HZ PHE 3 HZ PHE 3 -2.619 -0.387 0.317 28 H SER 4 HN SER 4 -9.913 -1.299 0.230 29 HA SER 4 HA SER 4 -8.582 -0.695 -2.189 30 HB2 SER 4 2HB SER 4 -11.367 -1.800 -1.762 31 HB3 SER 4 1HB SER 4 -10.458 -1.857 -3.273 32 HG SER 4 HG SER 4 -8.996 -2.832 -1.218 33 H GLU 5 HN GLU 5 -11.569 0.559 -0.749 34 HA GLU 5 HA GLU 5 -12.259 2.227 -2.925 35 HB2 GLU 5 2HB GLU 5 -13.025 2.219 -0.013 36 HB3 GLU 5 1HB GLU 5 -13.690 3.367 -1.156 37 HG2 GLU 5 2HG GLU 5 -14.618 1.574 -2.470 38 HG3 GLU 5 1HG GLU 5 -13.892 0.383 -1.396 39 H CYS 6 HN CYS 6 -10.508 2.799 0.084 40 HA CYS 6 HA CYS 6 -10.079 5.561 -0.230 41 HB2 CYS 6 2HB CYS 6 -9.661 4.134 1.830 42 HB3 CYS 6 1HB CYS 6 -8.157 3.641 1.079 43 HG CYS 6 HG CYS 6 -7.745 6.684 0.812 44 H ALA 7 HN ALA 7 -8.151 2.769 -1.186 45 HA ALA 7 HA ALA 7 -6.008 4.110 -2.380 46 HB1 ALA 7 1HB ALA 7 -5.635 2.047 -3.654 47 HB2 ALA 7 2HB ALA 7 -7.234 1.469 -3.182 48 HB3 ALA 7 3HB ALA 7 -5.984 1.706 -1.959 49 H ALA 8 HN ALA 8 -9.115 3.086 -3.731 50 HA ALA 8 HA ALA 8 -8.697 3.932 -6.369 51 HB1 ALA 8 1HB ALA 8 -11.298 3.824 -4.843 52 HB2 ALA 8 2HB ALA 8 -10.554 2.482 -5.707 53 HB3 ALA 8 3HB ALA 8 -11.125 3.893 -6.595 54 H LEU 9 HN LEU 9 -9.893 5.670 -3.530 55 HA LEU 9 HA LEU 9 -10.610 8.072 -4.792 56 HB2 LEU 9 2HB LEU 9 -9.478 7.648 -2.021 57 HB3 LEU 9 1HB LEU 9 -10.262 9.112 -2.575 58 HG LEU 9 HG LEU 9 -11.622 6.425 -2.387 59 HD11 LEU 9 1HD1 LEU 9 -10.986 7.273 -0.181 60 HD12 LEU 9 2HD1 LEU 9 -12.733 7.338 -0.419 61 HD13 LEU 9 3HD1 LEU 9 -11.770 8.809 -0.548 62 HD21 LEU 9 3HD2 LEU 9 -13.671 7.775 -2.630 63 HD22 LEU 9 1HD2 LEU 9 -12.628 7.868 -4.051 64 HD23 LEU 9 2HD2 LEU 9 -12.674 9.204 -2.900 65 H TYR 10 HN TYR 10 -7.541 7.024 -3.374 66 HA TYR 10 HA TYR 10 -6.058 9.351 -3.850 67 HB2 TYR 10 2HB TYR 10 -5.246 7.593 -2.385 68 HB3 TYR 10 1HB TYR 10 -5.180 6.457 -3.724 69 HD1 TYR 10 2HD TYR 10 -3.541 9.323 -2.126 70 HD2 TYR 10 1HD TYR 10 -3.382 6.552 -5.356 71 HE1 TYR 10 2HE TYR 10 -1.214 9.984 -2.577 72 HE2 TYR 10 1HE TYR 10 -1.060 7.205 -5.810 73 HH TYR 10 HH TYR 10 0.838 8.845 -3.693 74 H ILE 11 HN ILE 11 -6.400 6.413 -5.789 75 HA ILE 11 HA ILE 11 -4.694 7.157 -7.887 76 HB ILE 11 HB ILE 11 -7.048 5.262 -7.893 77 HG12 ILE 11 2HG1 ILE 11 -4.081 4.718 -7.679 78 HG13 ILE 11 1HG1 ILE 11 -5.175 4.785 -6.303 79 HG21 ILE 11 1HG2 ILE 11 -4.825 5.544 -9.912 80 HG22 ILE 11 2HG2 ILE 11 -6.518 5.964 -10.168 81 HG23 ILE 11 3HG2 ILE 11 -6.057 4.282 -9.901 82 HD11 ILE 11 3HD1 ILE 11 -6.415 2.894 -7.193 83 HD12 ILE 11 1HD1 ILE 11 -4.711 2.497 -6.972 84 HD13 ILE 11 2HD1 ILE 11 -5.337 2.833 -8.586 85 H LYS 12 HN LYS 12 -8.229 7.475 -7.583 86 HA LYS 12 HA LYS 12 -8.623 8.677 -10.098 87 HB2 LYS 12 2HB LYS 12 -10.278 8.806 -7.576 88 HB3 LYS 12 1HB LYS 12 -10.796 9.478 -9.118 89 HG2 LYS 12 2HG LYS 12 -10.592 7.220 -10.115 90 HG3 LYS 12 1HG LYS 12 -10.219 6.585 -8.511 91 HD2 LYS 12 2HD LYS 12 -12.389 7.375 -7.698 92 HD3 LYS 12 1HD LYS 12 -12.761 8.006 -9.306 93 HE2 LYS 12 2HE LYS 12 -12.474 5.682 -10.190 94 HE3 LYS 12 1HE LYS 12 -12.334 5.126 -8.525 95 HZ1 LYS 12 3HZ LYS 12 -14.688 6.562 -9.631 96 HZ2 LYS 12 1HZ LYS 12 -14.554 5.884 -8.080 97 HZ3 LYS 12 2HZ LYS 12 -14.583 4.879 -9.448 98 H ALA 13 HN ALA 13 -7.740 10.010 -6.977 99 HA ALA 13 HA ALA 13 -8.125 12.734 -7.659 100 HB1 ALA 13 1HB ALA 13 -7.921 11.940 -5.346 101 HB2 ALA 13 2HB ALA 13 -6.775 13.230 -5.708 102 HB3 ALA 13 3HB ALA 13 -6.224 11.556 -5.639 103 H HIS 14 HN HIS 14 -5.809 10.472 -8.705 104 HA HIS 14 HA HIS 14 -4.063 12.661 -9.626 105 HB2 HIS 14 2HB HIS 14 -3.341 9.949 -8.566 106 HB3 HIS 14 1HB HIS 14 -2.262 10.787 -9.675 107 HD1 HIS 14 1HD HIS 14 -1.706 10.108 -6.597 108 HD2 HIS 14 2HD HIS 14 -2.785 13.794 -8.186 109 HE1 HIS 14 1HE HIS 14 -0.870 11.823 -4.958 110 HE2 HIS 14 2HE HIS 14 -1.366 14.049 -6.035 111 H ARG 15 HN ARG 15 -6.358 10.754 -10.795 112 HA ARG 15 HA ARG 15 -5.086 9.448 -12.974 113 HB2 ARG 15 2HB ARG 15 -7.339 9.240 -13.938 114 HB3 ARG 15 1HB ARG 15 -7.301 8.760 -12.247 115 HG2 ARG 15 2HG ARG 15 -8.262 10.903 -11.606 116 HG3 ARG 15 1HG ARG 15 -8.279 11.406 -13.299 117 HD2 ARG 15 2HD ARG 15 -9.929 9.851 -13.863 118 HD3 ARG 15 1HD ARG 15 -9.668 8.905 -12.397 119 HE ARG 15 HE ARG 15 -10.518 11.169 -11.333 120 HH11 ARG 15 1HH1 ARG 15 -11.738 9.516 -14.171 121 HH12 ARG 15 2HH1 ARG 15 -13.383 10.020 -13.913 122 HH21 ARG 15 1HH2 ARG 15 -12.654 11.818 -10.983 123 HH22 ARG 15 2HH2 ARG 15 -13.902 11.340 -12.096 124 H SER 16 HN SER 16 -6.195 12.696 -12.443 125 HA SER 16 HA SER 16 -6.092 13.565 -15.137 126 HB2 SER 16 2HB SER 16 -5.843 15.100 -12.537 127 HB3 SER 16 1HB SER 16 -6.121 15.810 -14.119 128 HG SER 16 HG SER 16 -8.135 15.588 -13.540 129 H SER 17 HN SER 17 -3.761 13.071 -12.619 130 HA SER 17 HA SER 17 -1.671 14.590 -13.903 131 HB2 SER 17 2HB SER 17 -1.134 12.594 -11.743 132 HB3 SER 17 1HB SER 17 -0.472 14.212 -11.967 133 HG SER 17 HG SER 17 -2.049 15.022 -10.823 134 H TRP 18 HN TRP 18 -2.788 11.305 -13.685 135 HA TRP 18 HA TRP 18 -0.399 10.266 -14.996 136 HB2 TRP 18 2HB TRP 18 -2.771 8.866 -13.757 137 HB3 TRP 18 1HB TRP 18 -1.398 8.047 -14.491 138 HD1 TRP 18 1HD TRP 18 0.673 10.318 -13.069 139 HE1 TRP 18 1HE TRP 18 1.305 9.860 -10.614 140 HE3 TRP 18 3HE TRP 18 -3.132 7.138 -11.829 141 HZ2 TRP 18 2HZ TRP 18 0.324 8.343 -8.447 142 HZ3 TRP 18 3HZ TRP 18 -3.208 6.222 -9.551 143 HH2 TRP 18 2HH TRP 18 -1.519 6.815 -7.892 144 H LYS 19 HN LYS 19 -1.938 11.875 -16.653 145 HA LYS 19 HA LYS 19 -2.909 9.890 -18.569 146 HB2 LYS 19 2HB LYS 19 -4.431 11.582 -19.501 147 HB3 LYS 19 1HB LYS 19 -4.824 11.226 -17.828 148 HG2 LYS 19 2HG LYS 19 -3.724 13.288 -17.122 149 HG3 LYS 19 1HG LYS 19 -3.303 13.639 -18.801 150 HD2 LYS 19 2HD LYS 19 -5.663 13.749 -19.385 151 HD3 LYS 19 1HD LYS 19 -6.110 13.334 -17.729 152 HE2 LYS 19 2HE LYS 19 -5.010 15.398 -16.947 153 HE3 LYS 19 1HE LYS 19 -4.642 15.812 -18.622 154 HZ1 LYS 19 3HZ LYS 19 -7.371 15.447 -17.509 155 HZ2 LYS 19 1HZ LYS 19 -6.995 15.896 -19.099 156 HZ3 LYS 19 2HZ LYS 19 -6.631 16.944 -17.819 157 H ASN 20 HN ASN 20 -0.635 10.890 -20.763 158 HA ASN 20 HA ASN 20 -3.010 9.421 -19.946 159 HB2 ASN 20 2HB ASN 20 -3.363 10.251 -22.163 160 HB3 ASN 20 1HB ASN 20 -1.751 9.763 -22.671 161 HD21 ASN 20 1HD2 ASN 20 -1.425 7.734 -23.422 162 HD22 ASN 20 2HD2 ASN 20 -2.684 6.553 -23.596 163 H THR 21 HN THR 21 -2.100 8.052 -18.511 164 HA THR 21 HA THR 21 -0.255 6.060 -19.642 165 HB THR 21 HB THR 21 0.831 5.831 -17.427 166 HG1 THR 21 1HG THR 21 -1.102 7.706 -16.773 167 HG21 THR 21 3HG2 THR 21 0.979 8.626 -18.560 168 HG22 THR 21 1HG2 THR 21 1.879 7.228 -19.146 169 HG23 THR 21 2HG2 THR 21 2.185 7.859 -17.530 170 H LYS 22 HN LYS 22 -0.660 3.939 -19.111 171 HA LYS 22 HA LYS 22 -3.198 3.386 -17.830 172 HB2 LYS 22 2HB LYS 22 -1.288 1.824 -19.482 173 HB3 LYS 22 1HB LYS 22 -2.300 0.933 -18.355 174 HG2 LYS 22 2HG LYS 22 -4.243 2.253 -19.420 175 HG3 LYS 22 1HG LYS 22 -3.101 2.558 -20.729 176 HD2 LYS 22 2HD LYS 22 -4.511 0.574 -21.144 177 HD3 LYS 22 1HD LYS 22 -2.792 0.182 -21.063 178 HE2 LYS 22 2HE LYS 22 -3.988 -1.496 -19.843 179 HE3 LYS 22 1HE LYS 22 -3.122 -0.490 -18.686 180 HZ1 LYS 22 3HZ LYS 22 -5.262 -0.823 -17.802 181 HZ2 LYS 22 1HZ LYS 22 -6.029 -0.487 -19.279 182 HZ3 LYS 22 2HZ LYS 22 -5.279 0.761 -18.414 183 H HIS 23 HN HIS 23 -0.118 3.831 -16.659 184 HA HIS 23 HA HIS 23 0.112 1.658 -14.907 185 HB2 HIS 23 2HB HIS 23 1.752 2.919 -13.648 186 HB3 HIS 23 1HB HIS 23 2.039 3.073 -15.367 187 HD1 HIS 23 1HD HIS 23 2.916 5.308 -15.859 188 HD2 HIS 23 2HD HIS 23 0.078 5.414 -12.819 189 HE1 HIS 23 1HE HIS 23 2.794 7.708 -15.126 190 HE2 HIS 23 2HE HIS 23 1.234 7.702 -13.150 191 H ALA 24 HN ALA 24 -1.817 4.541 -14.690 192 HA ALA 24 HA ALA 24 -2.524 4.498 -11.990 193 HB1 ALA 24 1HB ALA 24 -4.276 5.135 -14.362 194 HB2 ALA 24 2HB ALA 24 -3.200 6.263 -13.539 195 HB3 ALA 24 3HB ALA 24 -4.592 5.592 -12.690 196 H ASP 25 HN ASP 25 -3.827 2.670 -14.718 197 HA ASP 25 HA ASP 25 -5.826 1.244 -13.307 198 HB2 ASP 25 2HB ASP 25 -5.879 1.423 -15.723 199 HB3 ASP 25 1HB ASP 25 -4.323 0.628 -15.860 200 H GLN 26 HN GLN 26 -2.493 0.530 -14.169 201 HA GLN 26 HA GLN 26 -2.301 -2.033 -13.086 202 HB2 GLN 26 2HB GLN 26 -0.243 0.126 -13.497 203 HB3 GLN 26 1HB GLN 26 0.164 -1.480 -12.928 204 HG2 GLN 26 2HG GLN 26 -1.279 -0.969 -15.509 205 HG3 GLN 26 1HG GLN 26 0.475 -1.081 -15.380 206 HE21 GLN 26 1HE2 GLN 26 0.547 -2.871 -16.720 207 HE22 GLN 26 2HE2 GLN 26 0.030 -4.437 -16.206 208 H TRP 27 HN TRP 27 -1.994 1.134 -11.563 209 HA TRP 27 HA TRP 27 -1.051 0.396 -9.060 210 HB2 TRP 27 2HB TRP 27 -2.816 2.582 -10.055 211 HB3 TRP 27 1HB TRP 27 -2.763 2.307 -8.320 212 HD1 TRP 27 1HD TRP 27 -0.171 2.898 -11.175 213 HE1 TRP 27 1HE TRP 27 1.708 4.384 -10.219 214 HE3 TRP 27 3HE TRP 27 -1.828 3.291 -6.354 215 HZ2 TRP 27 2HZ TRP 27 2.387 5.556 -7.750 216 HZ3 TRP 27 3HZ TRP 27 -0.506 4.617 -4.760 217 HH2 TRP 27 2HH TRP 27 1.559 5.726 -5.444 218 H THR 28 HN THR 28 -4.418 0.531 -10.190 219 HA THR 28 HA THR 28 -5.526 -0.560 -7.805 220 HB THR 28 HB THR 28 -6.771 -0.661 -10.557 221 HG1 THR 28 1HG THR 28 -6.016 1.508 -9.141 222 HG21 THR 28 3HG2 THR 28 -8.870 -0.460 -9.301 223 HG22 THR 28 1HG2 THR 28 -7.963 -0.440 -7.790 224 HG23 THR 28 2HG2 THR 28 -7.958 -1.883 -8.802 225 H ASN 29 HN ASN 29 -4.572 -1.884 -10.920 226 HA ASN 29 HA ASN 29 -5.714 -4.418 -10.734 227 HB2 ASN 29 2HB ASN 29 -4.543 -3.155 -12.704 228 HB3 ASN 29 1HB ASN 29 -3.090 -3.957 -12.121 229 HD21 ASN 29 1HD2 ASN 29 -6.102 -4.304 -13.738 230 HD22 ASN 29 2HD2 ASN 29 -5.901 -5.948 -14.220 231 H THR 30 HN THR 30 -2.408 -3.381 -9.886 232 HA THR 30 HA THR 30 -1.535 -5.943 -9.063 233 HB THR 30 HB THR 30 -0.429 -3.279 -8.155 234 HG1 THR 30 1HG THR 30 -0.344 -4.605 -10.610 235 HG21 THR 30 3HG2 THR 30 1.678 -4.503 -7.957 236 HG22 THR 30 1HG2 THR 30 0.873 -5.989 -8.467 237 HG23 THR 30 2HG2 THR 30 0.433 -5.227 -6.938 238 H ILE 31 HN ILE 31 -2.780 -3.151 -7.233 239 HA ILE 31 HA ILE 31 -2.402 -4.261 -4.670 240 HB ILE 31 HB ILE 31 -4.364 -2.159 -5.601 241 HG12 ILE 31 2HG1 ILE 31 -1.735 -1.937 -4.118 242 HG13 ILE 31 1HG1 ILE 31 -1.971 -1.586 -5.826 243 HG21 ILE 31 1HG2 ILE 31 -5.197 -3.201 -3.561 244 HG22 ILE 31 2HG2 ILE 31 -4.632 -1.560 -3.240 245 HG23 ILE 31 3HG2 ILE 31 -3.636 -2.941 -2.780 246 HD11 ILE 31 3HD1 ILE 31 -3.486 0.237 -5.238 247 HD12 ILE 31 1HD1 ILE 31 -1.895 0.451 -4.511 248 HD13 ILE 31 2HD1 ILE 31 -3.246 -0.119 -3.528 249 H LYS 32 HN LYS 32 -5.147 -4.351 -6.901 250 HA LYS 32 HA LYS 32 -6.984 -5.580 -5.168 251 HB2 LYS 32 2HB LYS 32 -7.472 -4.500 -7.405 252 HB3 LYS 32 1HB LYS 32 -6.858 -5.963 -8.158 253 HG2 LYS 32 2HG LYS 32 -8.574 -7.277 -7.020 254 HG3 LYS 32 1HG LYS 32 -9.203 -5.807 -6.277 255 HD2 LYS 32 2HD LYS 32 -9.690 -4.906 -8.509 256 HD3 LYS 32 1HD LYS 32 -9.085 -6.396 -9.235 257 HE2 LYS 32 2HE LYS 32 -10.807 -7.665 -8.031 258 HE3 LYS 32 1HE LYS 32 -11.422 -6.164 -7.343 259 HZ1 LYS 32 3HZ LYS 32 -11.919 -5.395 -9.590 260 HZ2 LYS 32 1HZ LYS 32 -12.730 -6.841 -9.234 261 HZ3 LYS 32 2HZ LYS 32 -11.361 -6.865 -10.230 262 H THR 33 HN THR 33 -4.389 -6.864 -7.105 263 HA THR 33 HA THR 33 -5.271 -9.591 -6.928 264 HB THR 33 HB THR 33 -2.519 -8.564 -7.652 265 HG1 THR 33 1HG THR 33 -3.855 -7.655 -9.144 266 HG21 THR 33 3HG2 THR 33 -2.575 -10.958 -7.170 267 HG22 THR 33 1HG2 THR 33 -2.337 -10.677 -8.896 268 HG23 THR 33 2HG2 THR 33 -3.922 -11.165 -8.292 269 H TYR 34 HN TYR 34 -2.595 -7.745 -5.437 270 HA TYR 34 HA TYR 34 -1.878 -9.997 -3.790 271 HB2 TYR 34 2HB TYR 34 -0.808 -7.198 -4.040 272 HB3 TYR 34 1HB TYR 34 -0.222 -8.313 -2.809 273 HD1 TYR 34 1HD TYR 34 -0.412 -7.659 -6.426 274 HD2 TYR 34 2HD TYR 34 1.188 -10.166 -3.385 275 HE1 TYR 34 1HE TYR 34 1.127 -8.655 -8.064 276 HE2 TYR 34 2HE TYR 34 2.731 -11.168 -5.015 277 HH TYR 34 HH TYR 34 3.213 -9.853 -8.144 278 H CYS 35 HN CYS 35 -3.255 -6.776 -3.144 279 HA CYS 35 HA CYS 35 -3.426 -7.432 -0.305 280 HB2 CYS 35 2HB CYS 35 -4.143 -4.845 -1.693 281 HB3 CYS 35 1HB CYS 35 -3.882 -5.087 0.031 282 HG CYS 35 HG CYS 35 -1.207 -5.243 -0.029 283 H GLY 36 HN GLY 36 -5.421 -7.137 -3.094 284 HA2 GLY 36 2HA GLY 36 -7.865 -6.339 -2.193 285 HA3 GLY 36 1HA GLY 36 -7.647 -7.533 -3.458 286 HA PRO 37 HA PRO 37 -9.469 -10.707 -1.097 287 HB2 PRO 37 2HB PRO 37 -7.123 -12.475 -1.033 288 HB3 PRO 37 1HB PRO 37 -8.676 -12.696 -1.845 289 HG2 PRO 37 2HG PRO 37 -6.411 -12.188 -3.211 290 HG3 PRO 37 1HG PRO 37 -7.991 -11.582 -3.740 291 HD2 PRO 37 2HD PRO 37 -5.787 -10.146 -2.312 292 HD3 PRO 37 1HD PRO 37 -6.826 -9.581 -3.637 293 H VAL 38 HN VAL 38 -6.680 -9.298 0.232 294 HA VAL 38 HA VAL 38 -6.987 -10.797 2.744 295 HB VAL 38 HB VAL 38 -4.660 -9.042 1.947 296 HG11 VAL 38 1HG1 VAL 38 -3.505 -10.131 3.804 297 HG12 VAL 38 2HG1 VAL 38 -4.964 -11.050 4.181 298 HG13 VAL 38 3HG1 VAL 38 -4.956 -9.296 4.360 299 HG21 VAL 38 3HG2 VAL 38 -4.921 -12.045 1.818 300 HG22 VAL 38 1HG2 VAL 38 -3.437 -11.130 1.541 301 HG23 VAL 38 2HG2 VAL 38 -4.807 -10.943 0.445 302 H ILE 39 HN ILE 39 -5.875 -7.496 1.961 303 HA ILE 39 HA ILE 39 -7.369 -6.569 4.323 304 HB ILE 39 HB ILE 39 -5.766 -4.683 4.402 305 HG12 ILE 39 2HG1 ILE 39 -4.290 -6.228 2.253 306 HG13 ILE 39 1HG1 ILE 39 -5.144 -4.711 2.001 307 HG21 ILE 39 1HG2 ILE 39 -4.519 -7.429 4.485 308 HG22 ILE 39 2HG2 ILE 39 -5.405 -6.642 5.792 309 HG23 ILE 39 3HG2 ILE 39 -3.861 -5.983 5.250 310 HD11 ILE 39 3HD1 ILE 39 -2.762 -5.108 3.793 311 HD12 ILE 39 1HD1 ILE 39 -3.608 -3.586 3.516 312 HD13 ILE 39 2HD1 ILE 39 -2.747 -4.372 2.192 313 H GLY 40 HN GLY 40 -7.832 -6.691 1.177 314 HA2 GLY 40 2HA GLY 40 -8.154 -4.079 0.242 315 HA3 GLY 40 1HA GLY 40 -9.017 -5.482 -0.361 316 HA PRO 41 HA PRO 41 -12.770 -4.038 1.390 317 HB2 PRO 41 2HB PRO 41 -13.926 -6.142 2.621 318 HB3 PRO 41 1HB PRO 41 -13.712 -6.072 0.868 319 HG2 PRO 41 2HG PRO 41 -12.081 -7.506 2.921 320 HG3 PRO 41 1HG PRO 41 -12.612 -8.064 1.325 321 HD2 PRO 41 2HD PRO 41 -10.106 -7.113 1.823 322 HD3 PRO 41 1HD PRO 41 -10.900 -6.993 0.241 323 H LEU 42 HN LEU 42 -10.301 -4.622 3.487 324 HA LEU 42 HA LEU 42 -11.750 -4.310 5.964 325 HB2 LEU 42 2HB LEU 42 -8.801 -4.152 5.335 326 HB3 LEU 42 1HB LEU 42 -9.472 -4.023 6.949 327 HG LEU 42 HG LEU 42 -9.638 -6.445 5.156 328 HD11 LEU 42 1HD1 LEU 42 -8.160 -7.470 6.808 329 HD12 LEU 42 2HD1 LEU 42 -8.083 -5.947 7.690 330 HD13 LEU 42 3HD1 LEU 42 -7.404 -6.058 6.067 331 HD21 LEU 42 3HD2 LEU 42 -10.606 -6.027 7.981 332 HD22 LEU 42 1HD2 LEU 42 -10.612 -7.558 7.104 333 HD23 LEU 42 2HD2 LEU 42 -11.623 -6.221 6.554 334 H SER 43 HN SER 43 -11.865 -2.439 7.219 335 HA SER 43 HA SER 43 -12.087 -0.010 5.922 336 HB2 SER 43 2HB SER 43 -11.606 -0.482 8.867 337 HB3 SER 43 1HB SER 43 -12.458 0.853 8.119 338 HG SER 43 HG SER 43 -13.333 -1.682 8.703 339 H VAL 44 HN VAL 44 -10.748 1.746 5.731 340 HA VAL 44 HA VAL 44 -7.968 1.151 5.552 341 HB VAL 44 HB VAL 44 -9.316 2.685 4.037 342 HG11 VAL 44 1HG1 VAL 44 -10.393 4.041 5.713 343 HG12 VAL 44 2HG1 VAL 44 -9.402 5.053 4.662 344 HG13 VAL 44 3HG1 VAL 44 -8.831 4.632 6.277 345 HG21 VAL 44 3HG2 VAL 44 -7.405 4.110 3.546 346 HG22 VAL 44 1HG2 VAL 44 -6.901 2.456 3.892 347 HG23 VAL 44 2HG2 VAL 44 -6.699 3.710 5.112 348 H GLN 45 HN GLN 45 -9.906 2.304 8.074 349 HA GLN 45 HA GLN 45 -7.736 3.554 9.553 350 HB2 GLN 45 2HB GLN 45 -10.069 4.344 9.769 351 HB3 GLN 45 1HB GLN 45 -10.517 2.779 10.435 352 HG2 GLN 45 2HG GLN 45 -8.929 3.167 12.290 353 HG3 GLN 45 1HG GLN 45 -8.632 4.782 11.649 354 HE21 GLN 45 1HE2 GLN 45 -9.415 5.819 13.452 355 HE22 GLN 45 2HE2 GLN 45 -11.097 5.854 13.829 356 H ASP 46 HN ASP 46 -9.230 0.481 9.133 357 HA ASP 46 HA ASP 46 -8.235 -0.600 11.633 358 HB2 ASP 46 2HB ASP 46 -10.066 -1.601 9.482 359 HB3 ASP 46 1HB ASP 46 -9.368 -2.723 10.642 360 H VAL 47 HN VAL 47 -7.246 -0.384 8.377 361 HA VAL 47 HA VAL 47 -5.702 -2.691 8.081 362 HB VAL 47 HB VAL 47 -5.051 0.084 7.056 363 HG11 VAL 47 1HG1 VAL 47 -3.117 -1.402 6.973 364 HG12 VAL 47 2HG1 VAL 47 -3.728 -1.083 5.351 365 HG13 VAL 47 3HG1 VAL 47 -4.077 -2.622 6.137 366 HG21 VAL 47 3HG2 VAL 47 -7.262 -0.674 6.346 367 HG22 VAL 47 1HG2 VAL 47 -6.563 -2.179 5.752 368 HG23 VAL 47 2HG2 VAL 47 -6.141 -0.647 4.984 369 H ASP 48 HN ASP 48 -4.326 -3.419 9.538 370 HA ASP 48 HA ASP 48 -2.712 -1.501 11.067 371 HB2 ASP 48 2HB ASP 48 -4.216 -2.809 12.448 372 HB3 ASP 48 1HB ASP 48 -3.600 -4.305 11.773 373 H THR 49 HN THR 49 -0.610 -2.355 11.800 374 HA THR 49 HA THR 49 0.970 -2.952 9.529 375 HB THR 49 HB THR 49 1.751 -3.002 12.452 376 HG1 THR 49 1HG THR 49 1.998 -0.924 10.503 377 HG21 THR 49 3HG2 THR 49 3.469 -2.709 9.980 378 HG22 THR 49 1HG2 THR 49 3.384 -4.142 11.003 379 HG23 THR 49 2HG2 THR 49 4.027 -2.634 11.650 380 H LYS 50 HN LYS 50 -0.289 -4.940 12.174 381 HA LYS 50 HA LYS 50 1.261 -7.251 11.601 382 HB2 LYS 50 2HB LYS 50 -0.310 -6.609 13.645 383 HB3 LYS 50 1HB LYS 50 -1.510 -7.479 12.704 384 HG2 LYS 50 2HG LYS 50 1.140 -8.627 13.550 385 HG3 LYS 50 1HG LYS 50 -0.371 -8.842 14.430 386 HD2 LYS 50 2HD LYS 50 -1.351 -9.979 12.520 387 HD3 LYS 50 1HD LYS 50 0.117 -9.701 11.578 388 HE2 LYS 50 2HE LYS 50 1.383 -11.050 13.206 389 HE3 LYS 50 1HE LYS 50 -0.111 -11.360 14.088 390 HZ1 LYS 50 3HZ LYS 50 0.464 -13.198 12.629 391 HZ2 LYS 50 1HZ LYS 50 0.430 -12.175 11.280 392 HZ3 LYS 50 2HZ LYS 50 -0.995 -12.483 12.142 393 H LEU 51 HN LEU 51 -1.835 -6.037 10.451 394 HA LEU 51 HA LEU 51 -2.555 -8.301 8.927 395 HB2 LEU 51 2HB LEU 51 -3.334 -5.407 8.571 396 HB3 LEU 51 1HB LEU 51 -4.131 -6.774 7.823 397 HG LEU 51 HG LEU 51 -4.038 -6.153 10.766 398 HD11 LEU 51 1HD1 LEU 51 -6.317 -6.141 8.798 399 HD12 LEU 51 2HD1 LEU 51 -5.554 -4.721 9.513 400 HD13 LEU 51 3HD1 LEU 51 -6.448 -5.847 10.533 401 HD21 LEU 51 3HD2 LEU 51 -5.545 -8.074 11.026 402 HD22 LEU 51 1HD2 LEU 51 -3.958 -8.553 10.420 403 HD23 LEU 51 2HD2 LEU 51 -5.330 -8.457 9.316 404 H ILE 52 HN ILE 52 -0.746 -5.355 8.210 405 HA ILE 52 HA ILE 52 -0.334 -5.879 5.456 406 HB ILE 52 HB ILE 52 1.394 -4.269 7.349 407 HG12 ILE 52 2HG1 ILE 52 -0.797 -3.391 5.455 408 HG13 ILE 52 1HG1 ILE 52 -0.952 -3.490 7.205 409 HG21 ILE 52 1HG2 ILE 52 1.282 -4.269 4.333 410 HG22 ILE 52 2HG2 ILE 52 2.604 -4.883 5.324 411 HG23 ILE 52 3HG2 ILE 52 2.229 -3.161 5.327 412 HD11 ILE 52 3HD1 ILE 52 0.924 -1.680 5.705 413 HD12 ILE 52 1HD1 ILE 52 0.753 -1.773 7.458 414 HD13 ILE 52 2HD1 ILE 52 -0.592 -1.205 6.469 415 H MET 53 HN MET 53 1.475 -6.706 8.375 416 HA MET 53 HA MET 53 3.705 -7.917 7.221 417 HB2 MET 53 2HB MET 53 2.228 -8.350 9.792 418 HB3 MET 53 1HB MET 53 3.537 -9.434 9.347 419 HG2 MET 53 2HG MET 53 3.785 -6.448 9.598 420 HG3 MET 53 1HG MET 53 4.236 -7.610 10.844 421 HE1 MET 53 3HE MET 53 6.746 -6.869 11.075 422 HE2 MET 53 1HE MET 53 6.305 -5.518 10.035 423 HE3 MET 53 2HE MET 53 7.755 -6.461 9.689 424 H LYS 54 HN LYS 54 0.460 -9.185 7.784 425 HA LYS 54 HA LYS 54 0.934 -11.866 7.133 426 HB2 LYS 54 2HB LYS 54 -1.548 -10.206 6.659 427 HB3 LYS 54 1HB LYS 54 -1.476 -11.955 6.532 428 HG2 LYS 54 2HG LYS 54 -0.827 -12.059 8.917 429 HG3 LYS 54 1HG LYS 54 -1.050 -10.311 9.015 430 HD2 LYS 54 2HD LYS 54 -3.028 -11.517 9.820 431 HD3 LYS 54 1HD LYS 54 -3.395 -10.562 8.382 432 HE2 LYS 54 2HE LYS 54 -3.122 -12.601 7.007 433 HE3 LYS 54 1HE LYS 54 -2.866 -13.529 8.483 434 HZ1 LYS 54 3HZ LYS 54 -5.055 -13.291 9.120 435 HZ2 LYS 54 1HZ LYS 54 -5.198 -13.451 7.437 436 HZ3 LYS 54 2HZ LYS 54 -5.313 -11.920 8.155 437 H VAL 55 HN VAL 55 0.211 -9.084 5.095 438 HA VAL 55 HA VAL 55 -0.042 -10.600 2.685 439 HB VAL 55 HB VAL 55 0.461 -7.633 2.984 440 HG11 VAL 55 1HG1 VAL 55 -0.692 -9.238 0.708 441 HG12 VAL 55 2HG1 VAL 55 0.879 -8.440 0.737 442 HG13 VAL 55 3HG1 VAL 55 -0.599 -7.479 0.774 443 HG21 VAL 55 3HG2 VAL 55 -1.963 -7.372 2.798 444 HG22 VAL 55 1HG2 VAL 55 -1.515 -8.289 4.236 445 HG23 VAL 55 2HG2 VAL 55 -2.151 -9.125 2.820 446 H LEU 56 HN LEU 56 2.508 -8.591 4.114 447 HA LEU 56 HA LEU 56 4.165 -8.802 1.777 448 HB2 LEU 56 2HB LEU 56 4.627 -7.595 4.492 449 HB3 LEU 56 1HB LEU 56 5.828 -7.574 3.217 450 HG LEU 56 HG LEU 56 3.105 -6.273 3.107 451 HD11 LEU 56 1HD1 LEU 56 4.376 -4.189 3.107 452 HD12 LEU 56 2HD1 LEU 56 5.876 -5.099 3.274 453 HD13 LEU 56 3HD1 LEU 56 4.682 -5.123 4.571 454 HD21 LEU 56 3HD2 LEU 56 3.771 -7.078 0.912 455 HD22 LEU 56 1HD2 LEU 56 5.347 -6.310 1.090 456 HD23 LEU 56 2HD2 LEU 56 3.892 -5.321 0.984 457 H ASP 57 HN ASP 57 3.993 -10.491 4.836 458 HA ASP 57 HA ASP 57 6.570 -11.316 5.249 459 HB2 ASP 57 2HB ASP 57 4.569 -11.830 6.694 460 HB3 ASP 57 1HB ASP 57 4.209 -13.149 5.612 461 HA PRO 58 HA PRO 58 6.131 -15.146 2.388 462 HB2 PRO 58 2HB PRO 58 4.076 -15.168 0.593 463 HB3 PRO 58 1HB PRO 58 3.996 -15.936 2.182 464 HG2 PRO 58 2HG PRO 58 2.898 -13.312 1.283 465 HG3 PRO 58 1HG PRO 58 2.190 -14.513 2.378 466 HD2 PRO 58 2HD PRO 58 3.398 -12.234 3.247 467 HD3 PRO 58 1HD PRO 58 3.366 -13.729 4.194 468 H ILE 59 HN ILE 59 5.036 -12.039 1.141 469 HA ILE 59 HA ILE 59 6.030 -12.398 -1.493 470 HB ILE 59 HB ILE 59 5.494 -9.787 -0.076 471 HG12 ILE 59 2HG1 ILE 59 3.557 -11.307 0.035 472 HG13 ILE 59 1HG1 ILE 59 3.243 -9.915 -0.988 473 HG21 ILE 59 1HG2 ILE 59 5.101 -8.922 -2.332 474 HG22 ILE 59 2HG2 ILE 59 5.522 -10.495 -3.008 475 HG23 ILE 59 3HG2 ILE 59 6.739 -9.545 -2.157 476 HD11 ILE 59 3HD1 ILE 59 3.960 -12.673 -1.947 477 HD12 ILE 59 1HD1 ILE 59 3.623 -11.276 -2.969 478 HD13 ILE 59 2HD1 ILE 59 2.349 -11.959 -1.956 479 H TRP 60 HN TRP 60 7.442 -11.149 1.491 480 HA TRP 60 HA TRP 60 9.714 -9.898 0.492 481 HB2 TRP 60 2HB TRP 60 9.386 -11.553 2.999 482 HB3 TRP 60 1HB TRP 60 10.840 -10.638 2.631 483 HD1 TRP 60 1HD TRP 60 8.051 -10.315 4.775 484 HE1 TRP 60 1HE TRP 60 7.435 -7.869 5.271 485 HE3 TRP 60 3HE TRP 60 10.575 -8.051 0.949 486 HZ2 TRP 60 2HZ TRP 60 7.938 -5.322 4.184 487 HZ3 TRP 60 3HZ TRP 60 10.451 -5.599 0.748 488 HH2 TRP 60 2HH TRP 60 9.159 -4.265 2.333 489 H GLU 61 HN GLU 61 9.076 -13.338 0.939 490 HA GLU 61 HA GLU 61 11.729 -14.080 0.105 491 HB2 GLU 61 2HB GLU 61 9.260 -15.635 0.841 492 HB3 GLU 61 1HB GLU 61 10.728 -16.389 0.276 493 HG2 GLU 61 2HG GLU 61 11.923 -15.260 2.172 494 HG3 GLU 61 1HG GLU 61 10.330 -14.809 2.785 495 H GLN 62 HN GLN 62 8.431 -14.187 -1.177 496 HA GLN 62 HA GLN 62 9.052 -15.655 -3.511 497 HB2 GLN 62 2HB GLN 62 6.770 -13.757 -2.950 498 HB3 GLN 62 1HB GLN 62 6.862 -14.826 -4.338 499 HG2 GLN 62 2HG GLN 62 6.861 -15.773 -1.486 500 HG3 GLN 62 1HG GLN 62 5.414 -15.635 -2.481 501 HE21 GLN 62 1HE2 GLN 62 4.945 -17.798 -2.400 502 HE22 GLN 62 2HE2 GLN 62 5.888 -18.994 -3.234 503 H LYS 63 HN LYS 63 8.398 -12.180 -3.087 504 HA LYS 63 HA LYS 63 10.015 -11.602 -5.454 505 HB2 LYS 63 2HB LYS 63 7.180 -10.612 -5.045 506 HB3 LYS 63 1HB LYS 63 8.255 -10.126 -6.349 507 HG2 LYS 63 2HG LYS 63 8.205 -12.298 -7.311 508 HG3 LYS 63 1HG LYS 63 7.382 -12.967 -5.902 509 HD2 LYS 63 2HD LYS 63 5.409 -11.630 -6.400 510 HD3 LYS 63 1HD LYS 63 6.236 -10.903 -7.779 511 HE2 LYS 63 2HE LYS 63 6.400 -13.076 -8.853 512 HE3 LYS 63 1HE LYS 63 5.637 -13.841 -7.460 513 HZ1 LYS 63 3HZ LYS 63 4.301 -11.734 -9.060 514 HZ2 LYS 63 1HZ LYS 63 3.601 -12.787 -7.933 515 HZ3 LYS 63 2HZ LYS 63 4.156 -13.385 -9.418 516 HA PRO 64 HA PRO 64 11.037 -9.055 -1.736 517 HB2 PRO 64 2HB PRO 64 13.500 -8.721 -3.364 518 HB3 PRO 64 1HB PRO 64 13.326 -9.129 -1.654 519 HG2 PRO 64 2HG PRO 64 14.007 -10.991 -3.426 520 HG3 PRO 64 1HG PRO 64 12.899 -11.366 -2.094 521 HD2 PRO 64 2HD PRO 64 12.295 -10.872 -4.979 522 HD3 PRO 64 1HD PRO 64 11.562 -12.035 -3.857 523 H GLU 65 HN GLU 65 11.872 -8.160 -5.085 524 HA GLU 65 HA GLU 65 11.989 -5.390 -4.563 525 HB2 GLU 65 2HB GLU 65 11.629 -6.896 -7.144 526 HB3 GLU 65 1HB GLU 65 12.063 -5.210 -7.005 527 HG2 GLU 65 2HG GLU 65 14.158 -5.746 -6.005 528 HG3 GLU 65 1HG GLU 65 13.709 -7.446 -5.882 529 H THR 66 HN THR 66 9.467 -7.587 -5.574 530 HA THR 66 HA THR 66 7.607 -5.578 -6.368 531 HB THR 66 HB THR 66 7.005 -8.415 -5.509 532 HG1 THR 66 1HG THR 66 8.255 -7.362 -7.763 533 HG21 THR 66 3HG2 THR 66 5.036 -6.958 -5.743 534 HG22 THR 66 1HG2 THR 66 5.078 -8.196 -7.000 535 HG23 THR 66 2HG2 THR 66 5.547 -6.539 -7.379 536 H ALA 67 HN ALA 67 8.269 -7.321 -3.385 537 HA ALA 67 HA ALA 67 6.006 -6.550 -1.921 538 HB1 ALA 67 1HB ALA 67 7.304 -7.107 0.066 539 HB2 ALA 67 2HB ALA 67 8.786 -7.108 -0.890 540 HB3 ALA 67 3HB ALA 67 7.540 -8.316 -1.195 541 H SER 68 HN SER 68 9.186 -4.999 -2.244 542 HA SER 68 HA SER 68 8.568 -2.864 -0.473 543 HB2 SER 68 2HB SER 68 10.628 -1.819 -1.609 544 HB3 SER 68 1HB SER 68 10.858 -3.331 -0.729 545 HG SER 68 HG SER 68 11.582 -4.110 -2.528 546 H ARG 69 HN ARG 69 8.434 -3.244 -3.991 547 HA ARG 69 HA ARG 69 7.745 -0.572 -4.583 548 HB2 ARG 69 2HB ARG 69 7.390 -3.171 -6.060 549 HB3 ARG 69 1HB ARG 69 6.855 -1.645 -6.724 550 HG2 ARG 69 2HG ARG 69 9.125 -0.782 -6.640 551 HG3 ARG 69 1HG ARG 69 9.672 -2.301 -5.930 552 HD2 ARG 69 2HD ARG 69 8.899 -3.485 -7.956 553 HD3 ARG 69 1HD ARG 69 8.452 -1.935 -8.662 554 HE ARG 69 HE ARG 69 11.117 -1.717 -7.947 555 HH11 ARG 69 1HH1 ARG 69 9.172 -3.656 -10.122 556 HH12 ARG 69 2HH1 ARG 69 10.468 -3.943 -11.240 557 HH21 ARG 69 1HH2 ARG 69 12.840 -2.101 -9.424 558 HH22 ARG 69 2HH2 ARG 69 12.553 -3.085 -10.829 559 H LEU 70 HN LEU 70 5.825 -3.433 -3.845 560 HA LEU 70 HA LEU 70 3.289 -2.233 -4.272 561 HB2 LEU 70 2HB LEU 70 3.627 -4.672 -4.149 562 HB3 LEU 70 1HB LEU 70 4.069 -4.525 -2.460 563 HG LEU 70 HG LEU 70 1.769 -3.671 -1.988 564 HD11 LEU 70 1HD1 LEU 70 0.032 -4.035 -3.672 565 HD12 LEU 70 2HD1 LEU 70 1.267 -4.478 -4.850 566 HD13 LEU 70 3HD1 LEU 70 1.214 -2.839 -4.201 567 HD21 LEU 70 3HD2 LEU 70 2.341 -5.992 -1.581 568 HD22 LEU 70 1HD2 LEU 70 1.974 -6.399 -3.258 569 HD23 LEU 70 2HD2 LEU 70 0.685 -5.864 -2.179 570 H ARG 71 HN ARG 71 5.391 -2.592 -1.450 571 HA ARG 71 HA ARG 71 3.651 -1.443 0.440 572 HB2 ARG 71 2HB ARG 71 5.810 -2.706 0.900 573 HB3 ARG 71 1HB ARG 71 6.663 -1.219 0.502 574 HG2 ARG 71 2HG ARG 71 5.001 -0.221 2.304 575 HG3 ARG 71 1HG ARG 71 5.011 -1.892 2.869 576 HD2 ARG 71 2HD ARG 71 6.722 -0.776 4.055 577 HD3 ARG 71 1HD ARG 71 7.525 -1.766 2.837 578 HE ARG 71 HE ARG 71 7.744 0.314 1.506 579 HH11 ARG 71 1HH1 ARG 71 7.253 0.531 4.960 580 HH12 ARG 71 2HH1 ARG 71 7.939 2.120 5.087 581 HH21 ARG 71 1HH2 ARG 71 8.657 2.412 1.682 582 HH22 ARG 71 2HH2 ARG 71 8.725 3.178 3.241 583 H GLY 72 HN GLY 72 5.951 -0.054 -1.819 584 HA2 GLY 72 2HA GLY 72 6.064 2.557 -0.800 585 HA3 GLY 72 1HA GLY 72 6.375 2.104 -2.468 586 H ARG 73 HN ARG 73 3.844 1.145 -3.197 587 HA ARG 73 HA ARG 73 2.514 3.631 -3.640 588 HB2 ARG 73 2HB ARG 73 0.861 2.341 -4.898 589 HB3 ARG 73 1HB ARG 73 2.496 1.904 -5.360 590 HG2 ARG 73 2HG ARG 73 2.322 -0.101 -3.923 591 HG3 ARG 73 1HG ARG 73 0.638 0.324 -3.602 592 HD2 ARG 73 2HD ARG 73 0.752 -1.330 -5.368 593 HD3 ARG 73 1HD ARG 73 0.167 0.205 -6.014 594 HE ARG 73 HE ARG 73 2.989 -0.039 -6.302 595 HH11 ARG 73 1HH1 ARG 73 -0.046 -1.081 -7.695 596 HH12 ARG 73 2HH1 ARG 73 0.623 -1.377 -9.268 597 HH21 ARG 73 1HH2 ARG 73 3.881 -0.403 -8.382 598 HH22 ARG 73 2HH2 ARG 73 2.859 -0.972 -9.671 599 H ILE 74 HN ILE 74 2.022 0.917 -1.467 600 HA ILE 74 HA ILE 74 -0.525 1.717 -0.499 601 HB ILE 74 HB ILE 74 1.634 0.058 0.824 602 HG12 ILE 74 2HG1 ILE 74 -0.901 -0.781 -0.598 603 HG13 ILE 74 1HG1 ILE 74 0.717 -0.868 -1.289 604 HG21 ILE 74 1HG2 ILE 74 -1.265 0.356 1.594 605 HG22 ILE 74 2HG2 ILE 74 0.110 1.018 2.481 606 HG23 ILE 74 3HG2 ILE 74 -0.095 -0.729 2.347 607 HD11 ILE 74 3HD1 ILE 74 1.358 -2.449 0.473 608 HD12 ILE 74 1HD1 ILE 74 0.008 -3.038 -0.497 609 HD13 ILE 74 2HD1 ILE 74 -0.284 -2.381 1.115 610 H GLU 75 HN GLU 75 2.797 2.376 0.465 611 HA GLU 75 HA GLU 75 2.433 3.797 2.812 612 HB2 GLU 75 2HB GLU 75 4.624 3.186 1.916 613 HB3 GLU 75 1HB GLU 75 4.408 4.297 0.574 614 HG2 GLU 75 2HG GLU 75 4.212 6.117 2.362 615 HG3 GLU 75 1HG GLU 75 4.886 4.917 3.465 616 H SER 76 HN SER 76 2.392 4.977 -0.520 617 HA SER 76 HA SER 76 2.040 7.694 0.135 618 HB2 SER 76 2HB SER 76 2.867 6.672 -2.065 619 HB3 SER 76 1HB SER 76 1.163 6.454 -2.453 620 HG SER 76 HG SER 76 2.679 8.783 -2.278 621 H VAL 77 HN VAL 77 -0.265 5.142 -0.745 622 HA VAL 77 HA VAL 77 -2.567 6.785 -0.761 623 HB VAL 77 HB VAL 77 -2.359 3.822 -0.190 624 HG11 VAL 77 1HG1 VAL 77 -4.759 5.484 -0.956 625 HG12 VAL 77 2HG1 VAL 77 -4.477 4.723 0.610 626 HG13 VAL 77 3HG1 VAL 77 -4.727 3.725 -0.823 627 HG21 VAL 77 3HG2 VAL 77 -1.463 4.406 -2.370 628 HG22 VAL 77 1HG2 VAL 77 -2.932 5.303 -2.753 629 HG23 VAL 77 2HG2 VAL 77 -2.996 3.552 -2.545 630 H LEU 78 HN LEU 78 -1.127 4.745 1.771 631 HA LEU 78 HA LEU 78 -3.055 5.259 3.749 632 HB2 LEU 78 2HB LEU 78 -0.149 4.495 3.939 633 HB3 LEU 78 1HB LEU 78 -1.173 4.669 5.352 634 HG LEU 78 HG LEU 78 -1.658 2.723 3.096 635 HD11 LEU 78 1HD1 LEU 78 -0.597 2.273 5.879 636 HD12 LEU 78 2HD1 LEU 78 0.324 2.136 4.380 637 HD13 LEU 78 3HD1 LEU 78 -0.996 1.013 4.711 638 HD21 LEU 78 3HD2 LEU 78 -3.023 3.061 5.766 639 HD22 LEU 78 1HD2 LEU 78 -3.328 1.762 4.610 640 HD23 LEU 78 2HD2 LEU 78 -3.718 3.428 4.186 641 H ASP 79 HN ASP 79 0.033 6.875 3.052 642 HA ASP 79 HA ASP 79 -0.048 8.713 5.166 643 HB2 ASP 79 2HB ASP 79 1.966 8.293 3.834 644 HB3 ASP 79 1HB ASP 79 1.200 9.026 2.429 645 H TRP 80 HN TRP 80 -1.344 8.892 1.894 646 HA TRP 80 HA TRP 80 -2.276 11.536 1.951 647 HB2 TRP 80 2HB TRP 80 -2.151 10.306 -0.124 648 HB3 TRP 80 1HB TRP 80 -3.284 9.101 0.470 649 HD1 TRP 80 1HD TRP 80 -3.217 12.795 -0.656 650 HE1 TRP 80 1HE TRP 80 -5.575 13.420 -1.476 651 HE3 TRP 80 3HE TRP 80 -5.676 8.476 0.554 652 HZ2 TRP 80 2HZ TRP 80 -8.131 12.238 -1.602 653 HZ3 TRP 80 3HZ TRP 80 -8.078 8.307 0.046 654 HH2 TRP 80 2HH TRP 80 -9.277 10.151 -1.008 655 H ALA 81 HN ALA 81 -3.845 8.495 2.860 656 HA ALA 81 HA ALA 81 -6.369 9.556 3.470 657 HB1 ALA 81 1HB ALA 81 -5.044 7.096 4.600 658 HB2 ALA 81 2HB ALA 81 -5.985 7.176 3.108 659 HB3 ALA 81 3HB ALA 81 -6.768 7.465 4.662 660 H THR 82 HN THR 82 -3.426 9.341 5.367 661 HA THR 82 HA THR 82 -4.560 9.814 7.904 662 HB THR 82 HB THR 82 -1.800 10.640 6.980 663 HG1 THR 82 1HG THR 82 -1.149 8.588 7.454 664 HG21 THR 82 3HG2 THR 82 -1.186 10.372 9.327 665 HG22 THR 82 1HG2 THR 82 -2.847 9.931 9.725 666 HG23 THR 82 2HG2 THR 82 -2.479 11.558 9.157 667 H VAL 83 HN VAL 83 -3.159 12.034 5.502 668 HA VAL 83 HA VAL 83 -3.608 14.371 7.065 669 HB VAL 83 HB VAL 83 -3.210 14.215 4.076 670 HG11 VAL 83 1HG1 VAL 83 -2.726 16.452 6.038 671 HG12 VAL 83 2HG1 VAL 83 -4.019 16.377 4.842 672 HG13 VAL 83 3HG1 VAL 83 -2.339 16.491 4.318 673 HG21 VAL 83 3HG2 VAL 83 -1.419 13.041 5.262 674 HG22 VAL 83 1HG2 VAL 83 -1.141 14.470 6.256 675 HG23 VAL 83 2HG2 VAL 83 -0.831 14.529 4.520 676 H ARG 84 HN ARG 84 -5.409 12.749 4.490 677 HA ARG 84 HA ARG 84 -7.455 14.629 4.207 678 HB2 ARG 84 2HB ARG 84 -6.778 12.013 3.271 679 HB3 ARG 84 1HB ARG 84 -8.476 12.043 3.731 680 HG2 ARG 84 2HG ARG 84 -8.138 12.596 1.387 681 HG3 ARG 84 1HG ARG 84 -8.864 13.916 2.294 682 HD2 ARG 84 2HD ARG 84 -6.598 14.941 2.476 683 HD3 ARG 84 1HD ARG 84 -6.004 13.687 1.385 684 HE ARG 84 HE ARG 84 -8.222 14.922 0.197 685 HH11 ARG 84 1HH1 ARG 84 -4.894 15.675 1.035 686 HH12 ARG 84 2HH1 ARG 84 -4.752 16.914 -0.185 687 HH21 ARG 84 1HH2 ARG 84 -8.017 16.500 -1.389 688 HH22 ARG 84 2HH2 ARG 84 -6.510 17.345 -1.599 689 H GLY 85 HN GLY 85 -6.779 12.463 6.764 690 HA2 GLY 85 2HA GLY 85 -7.808 12.560 8.862 691 HA3 GLY 85 1HA GLY 85 -9.154 13.422 8.134 692 H TYR 86 HN TYR 86 -7.919 10.368 6.900 693 HA TYR 86 HA TYR 86 -10.487 9.134 7.524 694 HB2 TYR 86 2HB TYR 86 -8.180 8.336 5.772 695 HB3 TYR 86 1HB TYR 86 -9.407 7.160 6.232 696 HD1 TYR 86 1HD TYR 86 -11.793 7.573 5.594 697 HD2 TYR 86 2HD TYR 86 -8.606 9.941 4.069 698 HE1 TYR 86 1HE TYR 86 -13.257 8.365 3.789 699 HE2 TYR 86 2HE TYR 86 -10.066 10.739 2.253 700 HH TYR 86 HH TYR 86 -13.435 10.262 2.269 701 H ARG 87 HN ARG 87 -7.574 9.511 9.006 702 HA ARG 87 HA ARG 87 -8.324 7.786 11.134 703 HB2 ARG 87 2HB ARG 87 -6.619 6.186 11.127 704 HB3 ARG 87 1HB ARG 87 -7.103 6.248 9.438 705 HG2 ARG 87 2HG ARG 87 -5.203 7.725 8.962 706 HG3 ARG 87 1HG ARG 87 -4.713 7.621 10.654 707 HD2 ARG 87 2HD ARG 87 -3.394 6.089 9.347 708 HD3 ARG 87 1HD ARG 87 -4.478 5.166 10.386 709 HE ARG 87 HE ARG 87 -5.602 4.410 8.526 710 HH11 ARG 87 1HH1 ARG 87 -3.378 6.957 7.649 711 HH12 ARG 87 2HH1 ARG 87 -3.515 6.678 5.945 712 HH21 ARG 87 1HH2 ARG 87 -5.810 4.025 6.297 713 HH22 ARG 87 2HH2 ARG 87 -4.927 5.004 5.169 714 H GLU 88 HN GLU 88 -6.576 7.881 12.881 715 HA GLU 88 HA GLU 88 -5.159 10.461 12.739 716 HB2 GLU 88 2HB GLU 88 -6.261 9.050 15.181 717 HB3 GLU 88 1HB GLU 88 -5.442 10.607 15.169 718 HG2 GLU 88 2HG GLU 88 -7.217 11.652 14.029 719 HG3 GLU 88 1HG GLU 88 -7.961 10.107 13.617 720 H GLY 89 HN GLY 89 -3.179 10.509 14.179 721 HA2 GLY 89 2HA GLY 89 -1.242 9.494 15.020 722 HA3 GLY 89 1HA GLY 89 -1.903 7.923 14.588 723 H ASP 90 HN ASP 90 -0.271 7.079 13.386 724 HA ASP 90 HA ASP 90 0.520 8.593 10.994 725 HB2 ASP 90 2HB ASP 90 2.089 6.727 12.754 726 HB3 ASP 90 1HB ASP 90 2.558 7.003 11.085 727 H ASN 91 HN ASN 91 1.467 6.873 9.311 728 HA ASN 91 HA ASN 91 -0.742 5.132 8.718 729 HB2 ASN 91 2HB ASN 91 0.452 4.768 6.602 730 HB3 ASN 91 1HB ASN 91 0.232 6.472 6.935 731 HD21 ASN 91 1HD2 ASN 91 2.112 5.243 5.156 732 HD22 ASN 91 2HD2 ASN 91 3.687 5.697 5.701 733 HA PRO 92 HA PRO 92 1.046 1.515 10.457 734 HB2 PRO 92 2HB PRO 92 -0.278 -0.401 9.086 735 HB3 PRO 92 1HB PRO 92 -1.062 0.619 10.300 736 HG2 PRO 92 2HG PRO 92 -1.077 0.872 7.316 737 HG3 PRO 92 1HG PRO 92 -2.421 1.046 8.461 738 HD2 PRO 92 2HD PRO 92 -1.110 3.169 7.392 739 HD3 PRO 92 1HD PRO 92 -1.836 3.200 9.011 740 H ALA 93 HN ALA 93 1.786 2.507 7.385 741 HA ALA 93 HA ALA 93 3.372 0.123 6.740 742 HB1 ALA 93 1HB ALA 93 1.900 0.987 4.959 743 HB2 ALA 93 2HB ALA 93 3.602 1.060 4.500 744 HB3 ALA 93 3HB ALA 93 2.762 2.524 5.009 745 H ARG 94 HN ARG 94 3.920 2.365 8.755 746 HA ARG 94 HA ARG 94 6.169 3.790 7.760 747 HB2 ARG 94 2HB ARG 94 6.540 4.313 10.209 748 HB3 ARG 94 1HB ARG 94 5.010 4.823 9.514 749 HG2 ARG 94 2HG ARG 94 3.887 2.925 10.525 750 HG3 ARG 94 1HG ARG 94 5.423 2.343 11.169 751 HD2 ARG 94 2HD ARG 94 4.174 5.002 11.843 752 HD3 ARG 94 1HD ARG 94 4.042 3.552 12.836 753 HE ARG 94 HE ARG 94 6.633 3.712 12.782 754 HH11 ARG 94 1HH1 ARG 94 4.387 6.395 12.954 755 HH12 ARG 94 2HH1 ARG 94 5.482 7.427 13.824 756 HH21 ARG 94 1HH2 ARG 94 8.065 5.050 13.930 757 HH22 ARG 94 2HH2 ARG 94 7.581 6.660 14.376 758 H TRP 95 HN TRP 95 8.036 2.966 7.306 759 HA TRP 95 HA TRP 95 9.320 1.139 9.191 760 HB2 TRP 95 2HB TRP 95 8.641 0.492 6.362 761 HB3 TRP 95 1HB TRP 95 10.191 -0.064 6.986 762 HD1 TRP 95 1HD TRP 95 9.899 -1.451 9.464 763 HE1 TRP 95 1HE TRP 95 8.207 -3.319 9.974 764 HE3 TRP 95 3HE TRP 95 6.465 -0.435 5.820 765 HZ2 TRP 95 2HZ TRP 95 5.719 -4.233 8.958 766 HZ3 TRP 95 3HZ TRP 95 4.463 -1.851 5.654 767 HH2 TRP 95 2HH TRP 95 4.098 -3.710 7.189 768 H ARG 96 HN ARG 96 10.947 2.461 9.777 769 HA ARG 96 HA ARG 96 12.326 4.140 7.915 770 HB2 ARG 96 2HB ARG 96 13.842 4.614 9.795 771 HB3 ARG 96 1HB ARG 96 12.158 4.810 10.246 772 HG2 ARG 96 2HG ARG 96 12.162 2.805 11.495 773 HG3 ARG 96 1HG ARG 96 13.714 2.305 10.819 774 HD2 ARG 96 2HD ARG 96 13.946 3.131 13.113 775 HD3 ARG 96 1HD ARG 96 14.833 4.126 11.961 776 HE ARG 96 HE ARG 96 12.401 5.361 12.233 777 HH11 ARG 96 1HH1 ARG 96 14.967 4.395 14.410 778 HH12 ARG 96 2HH1 ARG 96 14.688 5.706 15.523 779 HH21 ARG 96 1HH2 ARG 96 12.030 7.080 13.700 780 HH22 ARG 96 2HH2 ARG 96 13.017 7.223 15.120 781 H GLY 97 HN GLY 97 12.546 0.869 8.813 782 HA2 GLY 97 2HA GLY 97 14.825 0.476 7.074 783 HA3 GLY 97 1HA GLY 97 15.128 0.110 8.766 784 H TYR 98 HN TYR 98 12.731 -0.573 6.229 785 HA TYR 98 HA TYR 98 11.948 -3.030 7.412 786 HB2 TYR 98 2HB TYR 98 10.913 -3.432 5.077 787 HB3 TYR 98 1HB TYR 98 10.287 -2.120 6.059 788 HD1 TYR 98 2HD TYR 98 11.199 0.252 5.547 789 HD2 TYR 98 1HD TYR 98 11.588 -3.035 2.877 790 HE1 TYR 98 2HE TYR 98 11.548 1.814 3.685 791 HE2 TYR 98 1HE TYR 98 11.927 -1.476 1.005 792 HH TYR 98 HH TYR 98 11.506 0.803 0.402 793 H LEU 99 HN LEU 99 13.617 -2.540 4.273 794 HA LEU 99 HA LEU 99 15.282 -4.856 4.963 795 HB2 LEU 99 2HB LEU 99 14.154 -4.066 2.287 796 HB3 LEU 99 1HB LEU 99 15.459 -5.212 2.474 797 HG LEU 99 HG LEU 99 12.619 -5.531 3.437 798 HD11 LEU 99 1HD1 LEU 99 12.607 -7.417 1.876 799 HD12 LEU 99 2HD1 LEU 99 14.259 -7.029 1.396 800 HD13 LEU 99 3HD1 LEU 99 12.953 -5.897 1.051 801 HD21 LEU 99 3HD2 LEU 99 14.150 -6.463 5.091 802 HD22 LEU 99 1HD2 LEU 99 14.980 -7.371 3.828 803 HD23 LEU 99 2HD2 LEU 99 13.304 -7.747 4.227 804 H GLU 100 HN GLU 100 15.334 -2.465 2.336 805 HA GLU 100 HA GLU 100 18.038 -1.684 3.208 806 HB2 GLU 100 2HB GLU 100 17.761 -3.280 1.153 807 HB3 GLU 100 1HB GLU 100 17.236 -1.829 0.315 808 HG2 GLU 100 2HG GLU 100 19.885 -2.139 1.704 809 HG3 GLU 100 1HG GLU 100 19.619 -2.389 -0.018 810 H HIS 101 HN HIS 101 18.226 0.459 3.517 811 HA HIS 101 HA HIS 101 16.523 2.270 1.974 812 HB2 HIS 101 2HB HIS 101 15.381 1.787 4.148 813 HB3 HIS 101 1HB HIS 101 16.779 2.451 4.984 814 HD1 HIS 101 1HD HIS 101 16.796 4.923 5.372 815 HD2 HIS 101 2HD HIS 101 13.957 3.767 2.553 816 HE1 HIS 101 1HE HIS 101 15.438 6.984 4.886 817 HE2 HIS 101 2HE HIS 101 13.641 6.235 3.286 818 H HIS 102 HN HIS 102 18.960 2.144 1.162 819 HA HIS 102 HA HIS 102 20.471 4.269 2.492 820 HB2 HIS 102 2HB HIS 102 21.137 2.288 0.348 821 HB3 HIS 102 1HB HIS 102 22.047 3.792 0.429 822 HD1 HIS 102 1HD HIS 102 21.769 0.476 1.929 823 HD2 HIS 102 2HD HIS 102 23.469 4.130 2.930 824 HE1 HIS 102 1HE HIS 102 23.438 -0.027 3.747 825 HE2 HIS 102 2HE HIS 102 24.229 2.239 4.516 826 H HIS 103 HN HIS 103 20.099 3.684 -0.969 827 HA HIS 103 HA HIS 103 19.607 5.053 -2.714 828 HB2 HIS 103 2HB HIS 103 17.367 4.942 -1.530 829 HB3 HIS 103 1HB HIS 103 17.767 6.487 -0.790 830 HD1 HIS 103 1HD HIS 103 16.484 4.951 -3.879 831 HD2 HIS 103 2HD HIS 103 17.844 8.686 -2.650 832 HE1 HIS 103 1HE HIS 103 15.707 6.571 -5.643 833 HE2 HIS 103 2HE HIS 103 16.717 8.784 -4.986 834 H HIS 104 HN HIS 104 21.567 6.108 -3.031 835 HA HIS 104 HA HIS 104 22.613 8.064 -1.322 836 HB2 HIS 104 2HB HIS 104 24.260 8.511 -2.950 837 HB3 HIS 104 1HB HIS 104 23.858 6.815 -3.171 838 HD1 HIS 104 1HD HIS 104 22.527 6.195 -5.356 839 HD2 HIS 104 2HD HIS 104 23.786 10.157 -5.119 840 HE1 HIS 104 1HE HIS 104 22.306 7.125 -7.687 841 HE2 HIS 104 2HE HIS 104 23.005 9.542 -7.510 842 H HIS 105 HN HIS 105 22.169 10.132 -1.000 843 HA HIS 105 HA HIS 105 20.073 11.301 -2.709 844 HB2 HIS 105 2HB HIS 105 19.299 12.534 -0.773 845 HB3 HIS 105 1HB HIS 105 19.410 10.830 -0.355 846 HD1 HIS 105 1HD HIS 105 21.020 14.160 0.360 847 HD2 HIS 105 2HD HIS 105 21.246 10.206 1.638 848 HE1 HIS 105 1HE HIS 105 22.428 14.196 2.442 849 HE2 HIS 105 2HE HIS 105 22.725 11.773 3.063 850 H HIS 106 HN HIS 106 20.039 13.812 -2.370 851 HA HIS 106 HA HIS 106 22.798 14.831 -2.422 852 HB2 HIS 106 2HB HIS 106 21.714 14.726 -4.716 853 HB3 HIS 106 1HB HIS 106 20.549 15.910 -4.134 854 HD1 HIS 106 1HD HIS 106 24.322 15.588 -4.478 855 HD2 HIS 106 2HD HIS 106 21.331 18.476 -4.545 856 HE1 HIS 106 1HE HIS 106 25.471 17.745 -5.077 857 HE2 HIS 106 2HE HIS 106 23.680 19.506 -4.892 Start of MODEL 13 1 H1 MET 1 H1 MET 1 -16.165 3.311 4.960 2 H2 MET 1 H2 MET 1 -14.956 2.654 5.953 3 H3 MET 1 H3 MET 1 -15.936 1.634 5.019 4 HA MET 1 HA MET 1 -15.027 2.547 2.995 5 HB2 MET 1 2HB MET 1 -14.506 4.785 3.920 6 HB3 MET 1 1HB MET 1 -13.198 4.077 4.861 7 HG2 MET 1 2HG MET 1 -12.246 5.088 2.930 8 HG3 MET 1 1HG MET 1 -12.154 3.344 2.725 9 HE1 MET 1 2HE MET 1 -15.424 5.480 2.359 10 HE2 MET 1 3HE MET 1 -15.368 5.939 0.657 11 HE3 MET 1 1HE MET 1 -14.177 6.584 1.784 12 H THR 2 HN THR 2 -13.879 0.937 2.154 13 HA THR 2 HA THR 2 -12.173 -0.607 3.963 14 HB THR 2 HB THR 2 -12.164 -2.330 2.175 15 HG1 THR 2 1HG THR 2 -14.187 -0.815 0.869 16 HG21 THR 2 3HG2 THR 2 -14.520 -2.992 2.401 17 HG22 THR 2 1HG2 THR 2 -14.906 -1.380 3.002 18 HG23 THR 2 2HG2 THR 2 -13.846 -2.436 3.932 19 H PHE 3 HN PHE 3 -10.089 -1.423 3.071 20 HA PHE 3 HA PHE 3 -8.442 0.701 2.296 21 HB2 PHE 3 2HB PHE 3 -7.621 -1.307 3.469 22 HB3 PHE 3 1HB PHE 3 -7.915 -2.268 2.025 23 HD1 PHE 3 1HD PHE 3 -5.912 0.566 3.340 24 HD2 PHE 3 2HD PHE 3 -6.293 -2.443 0.351 25 HE1 PHE 3 1HE PHE 3 -3.649 1.087 2.532 26 HE2 PHE 3 2HE PHE 3 -4.028 -1.926 -0.461 27 HZ PHE 3 HZ PHE 3 -2.705 -0.159 0.629 28 H SER 4 HN SER 4 -9.952 -1.862 0.388 29 HA SER 4 HA SER 4 -8.729 -1.310 -2.075 30 HB2 SER 4 2HB SER 4 -11.526 -2.365 -1.584 31 HB3 SER 4 1HB SER 4 -10.597 -2.530 -3.074 32 HG SER 4 HG SER 4 -9.003 -3.650 -1.699 33 H GLU 5 HN GLU 5 -11.749 -0.075 -0.667 34 HA GLU 5 HA GLU 5 -12.477 1.518 -2.882 35 HB2 GLU 5 2HB GLU 5 -13.235 1.628 0.032 36 HB3 GLU 5 1HB GLU 5 -13.977 2.631 -1.201 37 HG2 GLU 5 2HG GLU 5 -14.801 0.680 -2.350 38 HG3 GLU 5 1HG GLU 5 -13.980 -0.371 -1.200 39 H CYS 6 HN CYS 6 -10.774 2.225 0.125 40 HA CYS 6 HA CYS 6 -10.531 5.006 -0.219 41 HB2 CYS 6 2HB CYS 6 -10.109 3.634 1.879 42 HB3 CYS 6 1HB CYS 6 -8.538 3.251 1.206 43 HG CYS 6 HG CYS 6 -8.152 6.221 0.919 44 H ALA 7 HN ALA 7 -8.355 2.348 -1.038 45 HA ALA 7 HA ALA 7 -6.280 3.849 -2.171 46 HB1 ALA 7 1HB ALA 7 -7.218 1.098 -2.973 47 HB2 ALA 7 2HB ALA 7 -6.089 1.458 -1.668 48 HB3 ALA 7 3HB ALA 7 -5.645 1.804 -3.339 49 H ALA 8 HN ALA 8 -9.254 2.584 -3.592 50 HA ALA 8 HA ALA 8 -8.759 3.389 -6.246 51 HB1 ALA 8 1HB ALA 8 -11.156 3.094 -6.595 52 HB2 ALA 8 2HB ALA 8 -11.414 3.040 -4.853 53 HB3 ALA 8 3HB ALA 8 -10.492 1.763 -5.648 54 H LEU 9 HN LEU 9 -10.089 5.068 -3.462 55 HA LEU 9 HA LEU 9 -11.001 7.363 -4.861 56 HB2 LEU 9 2HB LEU 9 -10.142 7.071 -1.981 57 HB3 LEU 9 1HB LEU 9 -10.952 8.473 -2.646 58 HG LEU 9 HG LEU 9 -12.113 5.697 -2.431 59 HD11 LEU 9 1HD1 LEU 9 -11.937 6.824 -0.287 60 HD12 LEU 9 2HD1 LEU 9 -13.623 6.728 -0.804 61 HD13 LEU 9 3HD1 LEU 9 -12.739 8.248 -0.954 62 HD21 LEU 9 3HD2 LEU 9 -14.197 6.732 -3.202 63 HD22 LEU 9 1HD2 LEU 9 -12.929 6.842 -4.423 64 HD23 LEU 9 2HD2 LEU 9 -13.345 8.256 -3.454 65 H TYR 10 HN TYR 10 -7.969 6.551 -3.235 66 HA TYR 10 HA TYR 10 -6.613 8.968 -3.570 67 HB2 TYR 10 2HB TYR 10 -5.718 7.155 -2.208 68 HB3 TYR 10 1HB TYR 10 -5.556 6.131 -3.627 69 HD1 TYR 10 2HD TYR 10 -4.280 9.264 -2.087 70 HD2 TYR 10 1HD TYR 10 -3.599 6.157 -4.912 71 HE1 TYR 10 2HE TYR 10 -1.988 10.087 -2.437 72 HE2 TYR 10 1HE TYR 10 -1.310 6.975 -5.271 73 HH TYR 10 HH TYR 10 -0.070 9.101 -5.034 74 H ILE 11 HN ILE 11 -6.754 6.142 -5.694 75 HA ILE 11 HA ILE 11 -5.216 7.101 -7.821 76 HB ILE 11 HB ILE 11 -7.555 5.184 -7.843 77 HG12 ILE 11 2HG1 ILE 11 -4.574 4.666 -7.869 78 HG13 ILE 11 1HG1 ILE 11 -5.586 4.573 -6.431 79 HG21 ILE 11 1HG2 ILE 11 -6.664 4.391 -9.991 80 HG22 ILE 11 2HG2 ILE 11 -5.481 5.701 -9.969 81 HG23 ILE 11 3HG2 ILE 11 -7.202 6.069 -10.076 82 HD11 ILE 11 3HD1 ILE 11 -5.136 2.373 -7.365 83 HD12 ILE 11 1HD1 ILE 11 -5.863 2.867 -8.893 84 HD13 ILE 11 2HD1 ILE 11 -6.854 2.757 -7.442 85 H LYS 12 HN LYS 12 -8.739 7.268 -7.330 86 HA LYS 12 HA LYS 12 -9.292 8.649 -9.733 87 HB2 LYS 12 2HB LYS 12 -10.841 8.350 -7.169 88 HB3 LYS 12 1HB LYS 12 -11.464 9.256 -8.540 89 HG2 LYS 12 2HG LYS 12 -11.313 7.241 -9.929 90 HG3 LYS 12 1HG LYS 12 -10.724 6.336 -8.531 91 HD2 LYS 12 2HD LYS 12 -12.793 6.722 -7.353 92 HD3 LYS 12 1HD LYS 12 -13.375 7.767 -8.650 93 HE2 LYS 12 2HE LYS 12 -14.405 5.582 -8.816 94 HE3 LYS 12 1HE LYS 12 -13.333 5.851 -10.186 95 HZ1 LYS 12 3HZ LYS 12 -13.249 3.604 -9.023 96 HZ2 LYS 12 1HZ LYS 12 -12.416 4.402 -7.785 97 HZ3 LYS 12 2HZ LYS 12 -11.767 4.365 -9.350 98 H ALA 13 HN ALA 13 -8.456 9.768 -6.503 99 HA ALA 13 HA ALA 13 -9.135 12.482 -6.889 100 HB1 ALA 13 1HB ALA 13 -7.057 11.296 -5.052 101 HB2 ALA 13 2HB ALA 13 -8.762 11.539 -4.673 102 HB3 ALA 13 3HB ALA 13 -7.714 12.929 -4.948 103 H HIS 14 HN HIS 14 -6.562 10.601 -8.129 104 HA HIS 14 HA HIS 14 -5.048 13.039 -8.794 105 HB2 HIS 14 2HB HIS 14 -4.150 10.194 -8.385 106 HB3 HIS 14 1HB HIS 14 -3.155 11.357 -9.251 107 HD1 HIS 14 1HD HIS 14 -1.420 12.298 -7.798 108 HD2 HIS 14 2HD HIS 14 -4.911 11.497 -5.691 109 HE1 HIS 14 1HE HIS 14 -0.936 12.941 -5.423 110 HE2 HIS 14 2HE HIS 14 -3.120 12.642 -4.208 111 H ARG 15 HN ARG 15 -7.233 10.996 -10.150 112 HA ARG 15 HA ARG 15 -6.018 9.942 -12.425 113 HB2 ARG 15 2HB ARG 15 -8.239 9.650 -13.353 114 HB3 ARG 15 1HB ARG 15 -8.226 9.229 -11.649 115 HG2 ARG 15 2HG ARG 15 -9.358 11.223 -11.056 116 HG3 ARG 15 1HG ARG 15 -9.149 11.896 -12.676 117 HD2 ARG 15 2HD ARG 15 -10.690 10.392 -13.614 118 HD3 ARG 15 1HD ARG 15 -10.653 9.343 -12.198 119 HE ARG 15 HE ARG 15 -12.139 10.739 -11.120 120 HH11 ARG 15 1HH1 ARG 15 -11.063 12.281 -14.094 121 HH12 ARG 15 2HH1 ARG 15 -12.352 13.449 -14.089 122 HH21 ARG 15 1HH2 ARG 15 -13.822 12.251 -11.141 123 HH22 ARG 15 2HH2 ARG 15 -13.945 13.410 -12.430 124 H SER 16 HN SER 16 -7.210 13.194 -11.894 125 HA SER 16 HA SER 16 -7.367 13.933 -14.620 126 HB2 SER 16 2HB SER 16 -6.941 15.714 -12.210 127 HB3 SER 16 1HB SER 16 -7.634 16.171 -13.761 128 HG SER 16 HG SER 16 -8.925 15.279 -11.654 129 H SER 17 HN SER 17 -4.860 14.333 -12.149 130 HA SER 17 HA SER 17 -2.947 15.445 -13.960 131 HB2 SER 17 2HB SER 17 -2.377 13.991 -11.367 132 HB3 SER 17 1HB SER 17 -1.422 15.254 -12.139 133 HG SER 17 HG SER 17 -3.234 16.676 -11.767 134 H TRP 18 HN TRP 18 -4.270 12.436 -13.418 135 HA TRP 18 HA TRP 18 -1.898 10.930 -14.183 136 HB2 TRP 18 2HB TRP 18 -4.322 10.358 -12.616 137 HB3 TRP 18 1HB TRP 18 -3.725 9.034 -13.604 138 HD1 TRP 18 1HD TRP 18 -1.063 11.288 -12.117 139 HE1 TRP 18 1HE TRP 18 0.130 10.014 -10.213 140 HE3 TRP 18 3HE TRP 18 -4.195 7.280 -11.765 141 HZ2 TRP 18 2HZ TRP 18 -0.236 7.622 -8.754 142 HZ3 TRP 18 3HZ TRP 18 -3.702 5.532 -10.102 143 HH2 TRP 18 2HH TRP 18 -1.771 5.711 -8.620 144 H LYS 19 HN LYS 19 -3.077 12.242 -16.437 145 HA LYS 19 HA LYS 19 -4.060 10.153 -18.059 146 HB2 LYS 19 2HB LYS 19 -2.051 12.330 -18.711 147 HB3 LYS 19 1HB LYS 19 -2.677 11.207 -19.909 148 HG2 LYS 19 2HG LYS 19 -4.260 13.240 -18.349 149 HG3 LYS 19 1HG LYS 19 -3.848 13.304 -20.063 150 HD2 LYS 19 2HD LYS 19 -5.125 11.176 -20.366 151 HD3 LYS 19 1HD LYS 19 -5.660 11.324 -18.692 152 HE2 LYS 19 2HE LYS 19 -6.196 13.239 -20.958 153 HE3 LYS 19 1HE LYS 19 -7.365 12.193 -20.158 154 HZ1 LYS 19 3HZ LYS 19 -7.601 14.407 -19.324 155 HZ2 LYS 19 1HZ LYS 19 -5.947 14.514 -18.970 156 HZ3 LYS 19 2HZ LYS 19 -6.934 13.453 -18.087 157 H ASN 20 HN ASN 20 -1.865 8.096 -16.648 158 HA ASN 20 HA ASN 20 -3.757 6.937 -17.103 159 HB2 ASN 20 2HB ASN 20 -5.153 8.896 -17.544 160 HB3 ASN 20 1HB ASN 20 -4.423 9.096 -19.130 161 HD21 ASN 20 1HD2 ASN 20 -6.601 7.174 -17.197 162 HD22 ASN 20 2HD2 ASN 20 -7.375 6.372 -18.522 163 H THR 21 HN THR 21 -2.210 5.614 -17.591 164 HA THR 21 HA THR 21 -2.091 4.595 -20.295 165 HB THR 21 HB THR 21 0.424 4.276 -20.035 166 HG1 THR 21 1HG THR 21 0.725 6.487 -18.451 167 HG21 THR 21 3HG2 THR 21 -0.457 5.934 -21.593 168 HG22 THR 21 1HG2 THR 21 1.015 6.526 -20.823 169 HG23 THR 21 2HG2 THR 21 -0.558 7.121 -20.293 170 H LYS 22 HN LYS 22 -0.117 2.616 -19.669 171 HA LYS 22 HA LYS 22 -1.530 0.732 -18.164 172 HB2 LYS 22 2HB LYS 22 1.313 0.952 -19.059 173 HB3 LYS 22 1HB LYS 22 0.871 -0.314 -17.921 174 HG2 LYS 22 2HG LYS 22 -0.459 0.111 -20.586 175 HG3 LYS 22 1HG LYS 22 0.855 -1.030 -20.292 176 HD2 LYS 22 2HD LYS 22 -1.798 -1.058 -18.856 177 HD3 LYS 22 1HD LYS 22 -1.393 -2.081 -20.235 178 HE2 LYS 22 2HE LYS 22 0.420 -3.101 -18.968 179 HE3 LYS 22 1HE LYS 22 0.078 -2.043 -17.599 180 HZ1 LYS 22 3HZ LYS 22 -0.856 -4.353 -17.462 181 HZ2 LYS 22 1HZ LYS 22 -1.918 -3.928 -18.711 182 HZ3 LYS 22 2HZ LYS 22 -1.982 -3.106 -17.227 183 H HIS 23 HN HIS 23 0.385 3.368 -17.082 184 HA HIS 23 HA HIS 23 1.312 2.397 -14.604 185 HB2 HIS 23 2HB HIS 23 0.551 5.204 -15.448 186 HB3 HIS 23 1HB HIS 23 1.308 4.826 -13.907 187 HD1 HIS 23 1HD HIS 23 3.730 5.201 -13.921 188 HD2 HIS 23 2HD HIS 23 2.318 4.119 -17.680 189 HE1 HIS 23 1HE HIS 23 5.726 5.285 -15.447 190 HE2 HIS 23 2HE HIS 23 4.805 4.828 -17.750 191 H ALA 24 HN ALA 24 -1.645 4.288 -15.304 192 HA ALA 24 HA ALA 24 -2.722 4.168 -12.706 193 HB1 ALA 24 1HB ALA 24 -4.859 4.744 -13.744 194 HB2 ALA 24 2HB ALA 24 -4.198 4.364 -15.335 195 HB3 ALA 24 3HB ALA 24 -3.547 5.717 -14.409 196 H ASP 25 HN ASP 25 -2.907 1.974 -15.438 197 HA ASP 25 HA ASP 25 -4.822 0.174 -14.424 198 HB2 ASP 25 2HB ASP 25 -4.078 0.125 -16.768 199 HB3 ASP 25 1HB ASP 25 -2.469 -0.361 -16.262 200 H GLN 26 HN GLN 26 -1.292 0.156 -14.300 201 HA GLN 26 HA GLN 26 -0.950 -2.193 -12.849 202 HB2 GLN 26 2HB GLN 26 0.751 0.270 -13.186 203 HB3 GLN 26 1HB GLN 26 1.306 -1.130 -12.298 204 HG2 GLN 26 2HG GLN 26 0.465 -1.132 -15.184 205 HG3 GLN 26 1HG GLN 26 2.125 -1.068 -14.606 206 HE21 GLN 26 1HE2 GLN 26 2.672 -2.955 -15.652 207 HE22 GLN 26 2HE2 GLN 26 2.131 -4.511 -15.113 208 H TRP 27 HN TRP 27 -1.284 1.160 -11.712 209 HA TRP 27 HA TRP 27 -0.748 0.700 -9.008 210 HB2 TRP 27 2HB TRP 27 -2.179 2.782 -10.548 211 HB3 TRP 27 1HB TRP 27 -2.578 2.676 -8.836 212 HD1 TRP 27 1HD TRP 27 0.377 3.435 -11.173 213 HE1 TRP 27 1HE TRP 27 2.172 4.700 -9.825 214 HE3 TRP 27 3HE TRP 27 -1.705 3.080 -6.521 215 HZ2 TRP 27 2HZ TRP 27 2.632 5.456 -7.146 216 HZ3 TRP 27 3HZ TRP 27 -0.528 4.105 -4.619 217 HH2 TRP 27 2HH TRP 27 1.597 5.267 -4.926 218 H THR 28 HN THR 28 -3.887 0.679 -10.689 219 HA THR 28 HA THR 28 -5.358 -0.127 -8.395 220 HB THR 28 HB THR 28 -6.160 -0.601 -11.274 221 HG1 THR 28 1HG THR 28 -5.662 1.744 -10.017 222 HG21 THR 28 3HG2 THR 28 -7.777 -0.069 -8.773 223 HG22 THR 28 1HG2 THR 28 -7.616 -1.623 -9.593 224 HG23 THR 28 2HG2 THR 28 -8.434 -0.283 -10.399 225 H ASN 29 HN ASN 29 -3.819 -1.811 -11.053 226 HA ASN 29 HA ASN 29 -5.048 -4.322 -10.739 227 HB2 ASN 29 2HB ASN 29 -3.878 -3.436 -12.766 228 HB3 ASN 29 1HB ASN 29 -2.349 -3.695 -11.944 229 HD21 ASN 29 1HD2 ASN 29 -1.735 -5.030 -13.642 230 HD22 ASN 29 2HD2 ASN 29 -2.321 -6.645 -13.783 231 H THR 30 HN THR 30 -1.878 -3.131 -9.618 232 HA THR 30 HA THR 30 -1.075 -5.614 -8.522 233 HB THR 30 HB THR 30 0.623 -4.205 -7.264 234 HG1 THR 30 1HG THR 30 -0.315 -2.092 -8.924 235 HG21 THR 30 3HG2 THR 30 1.136 -5.246 -9.408 236 HG22 THR 30 1HG2 THR 30 1.887 -3.654 -9.298 237 HG23 THR 30 2HG2 THR 30 0.424 -3.874 -10.259 238 H ILE 31 HN ILE 31 -2.370 -2.676 -6.985 239 HA ILE 31 HA ILE 31 -2.269 -3.651 -4.351 240 HB ILE 31 HB ILE 31 -4.094 -1.540 -5.516 241 HG12 ILE 31 2HG1 ILE 31 -1.445 -1.299 -4.070 242 HG13 ILE 31 1HG1 ILE 31 -1.685 -1.077 -5.799 243 HG21 ILE 31 1HG2 ILE 31 -3.387 -2.138 -2.645 244 HG22 ILE 31 2HG2 ILE 31 -4.968 -2.343 -3.402 245 HG23 ILE 31 3HG2 ILE 31 -4.288 -0.727 -3.197 246 HD11 ILE 31 3HD1 ILE 31 -3.119 0.854 -5.347 247 HD12 ILE 31 1HD1 ILE 31 -1.505 1.055 -4.661 248 HD13 ILE 31 2HD1 ILE 31 -2.860 0.630 -3.616 249 H LYS 32 HN LYS 32 -4.816 -3.750 -6.795 250 HA LYS 32 HA LYS 32 -6.865 -4.762 -5.153 251 HB2 LYS 32 2HB LYS 32 -6.972 -3.793 -7.553 252 HB3 LYS 32 1HB LYS 32 -6.569 -5.417 -8.078 253 HG2 LYS 32 2HG LYS 32 -8.927 -4.901 -6.300 254 HG3 LYS 32 1HG LYS 32 -9.031 -4.716 -8.050 255 HD2 LYS 32 2HD LYS 32 -8.171 -7.231 -6.620 256 HD3 LYS 32 1HD LYS 32 -9.786 -6.933 -7.263 257 HE2 LYS 32 2HE LYS 32 -7.240 -6.992 -8.881 258 HE3 LYS 32 1HE LYS 32 -8.410 -8.306 -8.770 259 HZ1 LYS 32 3HZ LYS 32 -8.830 -5.622 -9.966 260 HZ2 LYS 32 1HZ LYS 32 -10.087 -6.725 -9.683 261 HZ3 LYS 32 2HZ LYS 32 -8.840 -7.119 -10.759 262 H THR 33 HN THR 33 -4.219 -6.299 -6.851 263 HA THR 33 HA THR 33 -5.310 -8.951 -6.545 264 HB THR 33 HB THR 33 -2.548 -8.145 -7.467 265 HG1 THR 33 1HG THR 33 -4.059 -7.263 -8.876 266 HG21 THR 33 3HG2 THR 33 -2.529 -10.351 -8.540 267 HG22 THR 33 1HG2 THR 33 -4.108 -10.704 -7.836 268 HG23 THR 33 2HG2 THR 33 -2.705 -10.492 -6.790 269 H TYR 34 HN TYR 34 -2.486 -7.203 -5.223 270 HA TYR 34 HA TYR 34 -1.768 -9.464 -3.603 271 HB2 TYR 34 2HB TYR 34 -0.651 -6.661 -3.723 272 HB3 TYR 34 1HB TYR 34 0.008 -7.941 -2.713 273 HD1 TYR 34 1HD TYR 34 0.725 -10.122 -3.944 274 HD2 TYR 34 2HD TYR 34 0.144 -6.386 -5.897 275 HE1 TYR 34 1HE TYR 34 2.127 -10.887 -5.816 276 HE2 TYR 34 2HE TYR 34 1.539 -7.143 -7.773 277 HH TYR 34 HH TYR 34 2.439 -10.377 -8.221 278 H CYS 35 HN CYS 35 -3.055 -6.214 -2.898 279 HA CYS 35 HA CYS 35 -3.093 -6.845 -0.059 280 HB2 CYS 35 2HB CYS 35 -3.991 -4.319 -1.459 281 HB3 CYS 35 1HB CYS 35 -3.673 -4.517 0.262 282 HG CYS 35 HG CYS 35 -0.886 -5.276 -0.475 283 H GLY 36 HN GLY 36 -5.245 -6.786 -2.723 284 HA2 GLY 36 2HA GLY 36 -7.682 -6.089 -1.678 285 HA3 GLY 36 1HA GLY 36 -7.467 -7.268 -2.956 286 HA PRO 37 HA PRO 37 -8.931 -10.615 -0.633 287 HB2 PRO 37 2HB PRO 37 -6.345 -12.035 -0.432 288 HB3 PRO 37 1HB PRO 37 -7.860 -12.544 -1.184 289 HG2 PRO 37 2HG PRO 37 -5.759 -11.820 -2.662 290 HG3 PRO 37 1HG PRO 37 -7.416 -11.425 -3.154 291 HD2 PRO 37 2HD PRO 37 -5.340 -9.671 -1.899 292 HD3 PRO 37 1HD PRO 37 -6.509 -9.295 -3.183 293 H VAL 38 HN VAL 38 -6.060 -9.185 0.750 294 HA VAL 38 HA VAL 38 -6.506 -10.588 3.283 295 HB VAL 38 HB VAL 38 -4.206 -8.756 2.586 296 HG11 VAL 38 1HG1 VAL 38 -4.590 -9.033 4.984 297 HG12 VAL 38 2HG1 VAL 38 -3.104 -9.840 4.486 298 HG13 VAL 38 3HG1 VAL 38 -4.559 -10.787 4.793 299 HG21 VAL 38 3HG2 VAL 38 -4.249 -10.670 1.070 300 HG22 VAL 38 1HG2 VAL 38 -4.360 -11.768 2.444 301 HG23 VAL 38 2HG2 VAL 38 -2.907 -10.798 2.207 302 H ILE 39 HN ILE 39 -5.561 -7.223 2.474 303 HA ILE 39 HA ILE 39 -7.049 -6.375 4.866 304 HB ILE 39 HB ILE 39 -5.687 -4.307 4.764 305 HG12 ILE 39 2HG1 ILE 39 -4.181 -5.775 2.585 306 HG13 ILE 39 1HG1 ILE 39 -5.180 -4.345 2.352 307 HG21 ILE 39 1HG2 ILE 39 -3.587 -5.350 5.536 308 HG22 ILE 39 2HG2 ILE 39 -4.154 -6.900 4.918 309 HG23 ILE 39 3HG2 ILE 39 -5.021 -6.105 6.231 310 HD11 ILE 39 3HD1 ILE 39 -2.690 -4.462 4.036 311 HD12 ILE 39 1HD1 ILE 39 -3.672 -3.034 3.708 312 HD13 ILE 39 2HD1 ILE 39 -2.793 -3.819 2.394 313 H GLY 40 HN GLY 40 -7.513 -6.575 1.668 314 HA2 GLY 40 2HA GLY 40 -8.343 -4.101 0.748 315 HA3 GLY 40 1HA GLY 40 -9.011 -5.636 0.220 316 HA PRO 41 HA PRO 41 -12.841 -4.792 2.164 317 HB2 PRO 41 2HB PRO 41 -12.995 -7.235 3.743 318 HB3 PRO 41 1HB PRO 41 -13.866 -6.806 2.270 319 HG2 PRO 41 2HG PRO 41 -11.958 -8.731 2.336 320 HG3 PRO 41 1HG PRO 41 -12.273 -7.739 0.900 321 HD2 PRO 41 2HD PRO 41 -10.117 -7.456 2.963 322 HD3 PRO 41 1HD PRO 41 -10.010 -7.316 1.195 323 H LEU 42 HN LEU 42 -10.198 -4.798 4.099 324 HA LEU 42 HA LEU 42 -11.614 -4.480 6.620 325 HB2 LEU 42 2HB LEU 42 -8.677 -4.259 5.942 326 HB3 LEU 42 1HB LEU 42 -9.344 -4.095 7.555 327 HG LEU 42 HG LEU 42 -9.440 -6.595 5.857 328 HD11 LEU 42 1HD1 LEU 42 -7.836 -5.949 8.328 329 HD12 LEU 42 2HD1 LEU 42 -7.201 -6.098 6.689 330 HD13 LEU 42 3HD1 LEU 42 -7.886 -7.506 7.500 331 HD21 LEU 42 3HD2 LEU 42 -10.374 -6.091 8.680 332 HD22 LEU 42 1HD2 LEU 42 -10.292 -7.668 7.896 333 HD23 LEU 42 2HD2 LEU 42 -11.393 -6.435 7.282 334 H SER 43 HN SER 43 -11.823 -2.523 7.700 335 HA SER 43 HA SER 43 -12.034 -0.183 6.222 336 HB2 SER 43 2HB SER 43 -11.687 -0.458 9.213 337 HB3 SER 43 1HB SER 43 -12.512 0.814 8.338 338 HG SER 43 HG SER 43 -14.011 -0.796 7.599 339 H VAL 44 HN VAL 44 -10.672 1.495 5.886 340 HA VAL 44 HA VAL 44 -7.920 0.989 5.833 341 HB VAL 44 HB VAL 44 -9.035 2.532 4.291 342 HG11 VAL 44 1HG1 VAL 44 -10.597 3.572 5.827 343 HG12 VAL 44 2HG1 VAL 44 -9.634 4.787 4.985 344 HG13 VAL 44 3HG1 VAL 44 -9.264 4.374 6.660 345 HG21 VAL 44 3HG2 VAL 44 -6.864 3.866 5.908 346 HG22 VAL 44 1HG2 VAL 44 -7.341 4.298 4.265 347 HG23 VAL 44 2HG2 VAL 44 -6.619 2.720 4.588 348 H GLN 45 HN GLN 45 -9.902 2.376 8.321 349 HA GLN 45 HA GLN 45 -7.801 3.653 9.774 350 HB2 GLN 45 2HB GLN 45 -10.170 4.292 10.032 351 HB3 GLN 45 1HB GLN 45 -10.508 2.718 10.737 352 HG2 GLN 45 2HG GLN 45 -9.053 3.207 12.604 353 HG3 GLN 45 1HG GLN 45 -8.615 4.755 11.885 354 HE21 GLN 45 1HE2 GLN 45 -9.332 5.911 13.621 355 HE22 GLN 45 2HE2 GLN 45 -11.014 6.124 13.956 356 H ASP 46 HN ASP 46 -8.951 0.403 9.522 357 HA ASP 46 HA ASP 46 -7.866 -0.371 12.113 358 HB2 ASP 46 2HB ASP 46 -10.064 -1.221 10.865 359 HB3 ASP 46 1HB ASP 46 -8.927 -2.387 10.196 360 H VAL 47 HN VAL 47 -6.865 -0.167 8.894 361 HA VAL 47 HA VAL 47 -5.141 -2.351 8.629 362 HB VAL 47 HB VAL 47 -4.776 0.427 7.478 363 HG11 VAL 47 1HG1 VAL 47 -2.721 -0.880 7.368 364 HG12 VAL 47 2HG1 VAL 47 -3.424 -0.690 5.763 365 HG13 VAL 47 3HG1 VAL 47 -3.595 -2.218 6.625 366 HG21 VAL 47 3HG2 VAL 47 -6.146 -2.014 6.349 367 HG22 VAL 47 1HG2 VAL 47 -5.851 -0.511 5.473 368 HG23 VAL 47 2HG2 VAL 47 -6.927 -0.521 6.869 369 H ASP 48 HN ASP 48 -3.528 -2.912 9.874 370 HA ASP 48 HA ASP 48 -1.917 -0.827 11.190 371 HB2 ASP 48 2HB ASP 48 -3.232 -1.930 12.869 372 HB3 ASP 48 1HB ASP 48 -2.816 -3.514 12.239 373 H THR 49 HN THR 49 0.235 -1.681 11.888 374 HA THR 49 HA THR 49 1.800 -2.382 9.705 375 HB THR 49 HB THR 49 2.471 -2.792 12.627 376 HG1 THR 49 1HG THR 49 2.996 -0.506 11.013 377 HG21 THR 49 3HG2 THR 49 4.062 -3.836 11.064 378 HG22 THR 49 1HG2 THR 49 4.781 -2.468 11.915 379 HG23 THR 49 2HG2 THR 49 4.252 -2.287 10.242 380 H LYS 50 HN LYS 50 0.536 -4.424 12.336 381 HA LYS 50 HA LYS 50 1.907 -6.770 11.571 382 HB2 LYS 50 2HB LYS 50 0.616 -6.157 13.768 383 HB3 LYS 50 1HB LYS 50 -0.765 -6.845 12.929 384 HG2 LYS 50 2HG LYS 50 1.814 -8.343 13.292 385 HG3 LYS 50 1HG LYS 50 0.509 -8.377 14.476 386 HD2 LYS 50 2HD LYS 50 -0.981 -9.396 12.933 387 HD3 LYS 50 1HD LYS 50 0.118 -9.104 11.583 388 HE2 LYS 50 2HE LYS 50 0.183 -11.439 12.263 389 HE3 LYS 50 1HE LYS 50 1.730 -10.653 12.564 390 HZ1 LYS 50 3HZ LYS 50 -0.360 -11.113 14.622 391 HZ2 LYS 50 1HZ LYS 50 1.189 -10.474 14.888 392 HZ3 LYS 50 2HZ LYS 50 1.008 -12.091 14.399 393 H LEU 51 HN LEU 51 -1.227 -5.432 10.678 394 HA LEU 51 HA LEU 51 -2.153 -7.641 9.195 395 HB2 LEU 51 2HB LEU 51 -2.784 -4.702 8.951 396 HB3 LEU 51 1HB LEU 51 -3.655 -5.971 8.119 397 HG LEU 51 HG LEU 51 -3.518 -5.556 11.099 398 HD11 LEU 51 1HD1 LEU 51 -4.968 -3.963 10.003 399 HD12 LEU 51 2HD1 LEU 51 -5.934 -5.149 10.877 400 HD13 LEU 51 3HD1 LEU 51 -5.775 -5.260 9.124 401 HD21 LEU 51 3HD2 LEU 51 -5.082 -7.417 11.266 402 HD22 LEU 51 1HD2 LEU 51 -3.559 -7.936 10.543 403 HD23 LEU 51 2HD2 LEU 51 -4.976 -7.675 9.526 404 H ILE 52 HN ILE 52 -0.202 -4.828 8.344 405 HA ILE 52 HA ILE 52 -0.050 -5.334 5.565 406 HB ILE 52 HB ILE 52 1.938 -3.908 7.344 407 HG12 ILE 52 2HG1 ILE 52 -0.323 -2.824 5.648 408 HG13 ILE 52 1HG1 ILE 52 -0.340 -2.949 7.402 409 HG21 ILE 52 1HG2 ILE 52 1.604 -3.834 4.344 410 HG22 ILE 52 2HG2 ILE 52 2.942 -4.567 5.228 411 HG23 ILE 52 3HG2 ILE 52 2.704 -2.822 5.281 412 HD11 ILE 52 3HD1 ILE 52 0.133 -0.688 6.747 413 HD12 ILE 52 1HD1 ILE 52 1.484 -1.226 5.749 414 HD13 ILE 52 2HD1 ILE 52 1.564 -1.393 7.502 415 H MET 53 HN MET 53 1.913 -6.365 8.313 416 HA MET 53 HA MET 53 3.945 -7.701 6.926 417 HB2 MET 53 2HB MET 53 2.714 -8.301 9.619 418 HB3 MET 53 1HB MET 53 4.152 -9.103 9.003 419 HG2 MET 53 2HG MET 53 5.318 -6.964 8.915 420 HG3 MET 53 1HG MET 53 3.872 -6.151 9.522 421 HE1 MET 53 3HE MET 53 6.811 -5.944 10.850 422 HE2 MET 53 1HE MET 53 6.380 -6.018 12.558 423 HE3 MET 53 2HE MET 53 5.400 -5.070 11.440 424 H LYS 54 HN LYS 54 0.711 -8.739 7.842 425 HA LYS 54 HA LYS 54 0.957 -11.455 7.172 426 HB2 LYS 54 2HB LYS 54 -1.485 -9.674 7.089 427 HB3 LYS 54 1HB LYS 54 -1.515 -11.430 6.996 428 HG2 LYS 54 2HG LYS 54 -0.600 -11.599 9.227 429 HG3 LYS 54 1HG LYS 54 -0.447 -9.843 9.324 430 HD2 LYS 54 2HD LYS 54 -2.421 -10.533 10.524 431 HD3 LYS 54 1HD LYS 54 -2.906 -9.665 9.068 432 HE2 LYS 54 2HE LYS 54 -3.298 -11.815 7.940 433 HE3 LYS 54 1HE LYS 54 -2.840 -12.660 9.416 434 HZ1 LYS 54 3HZ LYS 54 -4.700 -11.505 10.541 435 HZ2 LYS 54 1HZ LYS 54 -5.205 -12.544 9.297 436 HZ3 LYS 54 2HZ LYS 54 -5.179 -10.871 9.042 437 H VAL 55 HN VAL 55 0.198 -8.621 5.228 438 HA VAL 55 HA VAL 55 -0.522 -10.067 2.876 439 HB VAL 55 HB VAL 55 0.445 -7.210 3.068 440 HG11 VAL 55 1HG1 VAL 55 -1.226 -8.596 0.976 441 HG12 VAL 55 2HG1 VAL 55 0.458 -8.110 0.800 442 HG13 VAL 55 3HG1 VAL 55 -0.796 -6.886 0.988 443 HG21 VAL 55 3HG2 VAL 55 -1.914 -6.575 3.184 444 HG22 VAL 55 1HG2 VAL 55 -1.449 -7.572 4.562 445 HG23 VAL 55 2HG2 VAL 55 -2.370 -8.277 3.233 446 H LEU 56 HN LEU 56 2.433 -8.518 4.036 447 HA LEU 56 HA LEU 56 3.862 -8.965 1.587 448 HB2 LEU 56 2HB LEU 56 4.868 -8.151 4.311 449 HB3 LEU 56 1HB LEU 56 5.797 -8.096 2.825 450 HG LEU 56 HG LEU 56 3.321 -6.466 3.392 451 HD11 LEU 56 1HD1 LEU 56 6.227 -5.667 3.313 452 HD12 LEU 56 2HD1 LEU 56 5.219 -5.775 4.755 453 HD13 LEU 56 3HD1 LEU 56 4.858 -4.574 3.517 454 HD21 LEU 56 3HD2 LEU 56 5.248 -6.383 1.071 455 HD22 LEU 56 1HD2 LEU 56 3.900 -5.276 1.340 456 HD23 LEU 56 2HD2 LEU 56 3.590 -6.983 1.020 457 H ASP 57 HN ASP 57 3.343 -10.724 4.487 458 HA ASP 57 HA ASP 57 5.577 -12.178 4.969 459 HB2 ASP 57 2HB ASP 57 3.355 -12.298 6.171 460 HB3 ASP 57 1HB ASP 57 2.835 -13.423 4.946 461 HA PRO 58 HA PRO 58 4.591 -15.591 1.746 462 HB2 PRO 58 2HB PRO 58 2.694 -15.154 -0.131 463 HB3 PRO 58 1HB PRO 58 2.325 -15.860 1.446 464 HG2 PRO 58 2HG PRO 58 1.990 -13.036 0.505 465 HG3 PRO 58 1HG PRO 58 0.881 -14.036 1.464 466 HD2 PRO 58 2HD PRO 58 2.505 -12.163 2.577 467 HD3 PRO 58 1HD PRO 58 2.023 -13.641 3.426 468 H ILE 59 HN ILE 59 4.475 -12.234 0.839 469 HA ILE 59 HA ILE 59 5.348 -12.604 -1.859 470 HB ILE 59 HB ILE 59 5.450 -10.061 -0.240 471 HG12 ILE 59 2HG1 ILE 59 3.200 -11.067 -0.139 472 HG13 ILE 59 1HG1 ILE 59 3.203 -9.583 -1.079 473 HG21 ILE 59 1HG2 ILE 59 5.201 -8.979 -2.437 474 HG22 ILE 59 2HG2 ILE 59 5.261 -10.562 -3.210 475 HG23 ILE 59 3HG2 ILE 59 6.669 -9.955 -2.339 476 HD11 ILE 59 3HD1 ILE 59 1.821 -11.279 -2.124 477 HD12 ILE 59 1HD1 ILE 59 3.194 -12.384 -2.182 478 HD13 ILE 59 2HD1 ILE 59 3.214 -10.905 -3.140 479 H TRP 60 HN TRP 60 6.923 -12.054 1.230 480 HA TRP 60 HA TRP 60 9.425 -11.195 0.284 481 HB2 TRP 60 2HB TRP 60 8.678 -12.698 2.795 482 HB3 TRP 60 1HB TRP 60 10.306 -12.115 2.470 483 HD1 TRP 60 1HD TRP 60 7.345 -11.121 4.289 484 HE1 TRP 60 1HE TRP 60 7.305 -8.588 4.748 485 HE3 TRP 60 3HE TRP 60 10.975 -9.640 1.002 486 HZ2 TRP 60 2HZ TRP 60 8.631 -6.270 3.834 487 HZ3 TRP 60 3HZ TRP 60 11.528 -7.244 0.860 488 HH2 TRP 60 2HH TRP 60 10.380 -5.598 2.246 489 H GLU 61 HN GLU 61 8.008 -14.379 0.457 490 HA GLU 61 HA GLU 61 10.477 -15.740 -0.039 491 HB2 GLU 61 2HB GLU 61 7.596 -16.641 -0.068 492 HB3 GLU 61 1HB GLU 61 8.970 -17.703 -0.265 493 HG2 GLU 61 2HG GLU 61 8.362 -16.035 2.155 494 HG3 GLU 61 1HG GLU 61 8.133 -17.776 2.008 495 H GLN 62 HN GLN 62 7.721 -14.586 -1.894 496 HA GLN 62 HA GLN 62 8.497 -15.978 -4.293 497 HB2 GLN 62 2HB GLN 62 6.397 -13.862 -3.791 498 HB3 GLN 62 1HB GLN 62 6.623 -14.695 -5.320 499 HG2 GLN 62 2HG GLN 62 6.080 -16.812 -4.288 500 HG3 GLN 62 1HG GLN 62 5.940 -16.029 -2.714 501 HE21 GLN 62 1HE2 GLN 62 4.459 -16.512 -5.822 502 HE22 GLN 62 2HE2 GLN 62 2.909 -15.872 -5.402 503 H LYS 63 HN LYS 63 8.187 -12.532 -3.434 504 HA LYS 63 HA LYS 63 10.435 -11.876 -5.167 505 HB2 LYS 63 2HB LYS 63 7.677 -10.675 -5.501 506 HB3 LYS 63 1HB LYS 63 9.134 -10.030 -6.240 507 HG2 LYS 63 2HG LYS 63 9.413 -12.014 -7.558 508 HG3 LYS 63 1HG LYS 63 8.079 -12.809 -6.721 509 HD2 LYS 63 2HD LYS 63 7.321 -12.028 -8.874 510 HD3 LYS 63 1HD LYS 63 6.548 -11.078 -7.607 511 HE2 LYS 63 2HE LYS 63 7.275 -9.673 -9.468 512 HE3 LYS 63 1HE LYS 63 8.131 -9.267 -7.983 513 HZ1 LYS 63 3HZ LYS 63 10.036 -10.496 -8.751 514 HZ2 LYS 63 1HZ LYS 63 9.597 -9.358 -9.928 515 HZ3 LYS 63 2HZ LYS 63 9.210 -10.996 -10.145 516 HA PRO 64 HA PRO 64 10.571 -9.903 -1.013 517 HB2 PRO 64 2HB PRO 64 13.399 -9.593 -1.854 518 HB3 PRO 64 1HB PRO 64 12.735 -10.239 -0.351 519 HG2 PRO 64 2HG PRO 64 13.793 -11.845 -2.208 520 HG3 PRO 64 1HG PRO 64 12.391 -12.338 -1.244 521 HD2 PRO 64 2HD PRO 64 12.518 -11.424 -4.080 522 HD3 PRO 64 1HD PRO 64 11.463 -12.635 -3.327 523 H GLU 65 HN GLU 65 12.429 -8.656 -3.801 524 HA GLU 65 HA GLU 65 12.619 -6.029 -2.904 525 HB2 GLU 65 2HB GLU 65 12.600 -7.107 -5.715 526 HB3 GLU 65 1HB GLU 65 13.167 -5.526 -5.237 527 HG2 GLU 65 2HG GLU 65 14.355 -8.158 -4.425 528 HG3 GLU 65 1HG GLU 65 15.030 -7.016 -5.586 529 H THR 66 HN THR 66 10.190 -7.688 -4.821 530 HA THR 66 HA THR 66 8.741 -5.363 -5.567 531 HB THR 66 HB THR 66 7.710 -8.200 -5.356 532 HG1 THR 66 1HG THR 66 9.655 -7.839 -6.699 533 HG21 THR 66 3HG2 THR 66 5.937 -6.531 -5.641 534 HG22 THR 66 1HG2 THR 66 6.140 -7.490 -7.107 535 HG23 THR 66 2HG2 THR 66 6.791 -5.855 -7.028 536 H ALA 67 HN ALA 67 8.628 -7.514 -2.797 537 HA ALA 67 HA ALA 67 6.194 -6.652 -1.688 538 HB1 ALA 67 1HB ALA 67 8.655 -7.644 -0.252 539 HB2 ALA 67 2HB ALA 67 7.377 -8.652 -0.932 540 HB3 ALA 67 3HB ALA 67 7.023 -7.567 0.412 541 H SER 68 HN SER 68 9.500 -5.432 -1.287 542 HA SER 68 HA SER 68 8.796 -3.421 0.612 543 HB2 SER 68 2HB SER 68 11.108 -4.331 0.338 544 HB3 SER 68 1HB SER 68 11.209 -3.523 -1.225 545 HG SER 68 HG SER 68 11.935 -1.907 -0.087 546 H ARG 69 HN ARG 69 9.093 -3.488 -2.910 547 HA ARG 69 HA ARG 69 8.734 -0.701 -3.281 548 HB2 ARG 69 2HB ARG 69 8.331 -3.041 -5.147 549 HB3 ARG 69 1HB ARG 69 8.313 -1.362 -5.643 550 HG2 ARG 69 2HG ARG 69 10.625 -1.112 -4.862 551 HG3 ARG 69 1HG ARG 69 10.631 -2.818 -4.415 552 HD2 ARG 69 2HD ARG 69 10.085 -3.340 -6.809 553 HD3 ARG 69 1HD ARG 69 10.374 -1.638 -7.172 554 HE ARG 69 HE ARG 69 12.498 -3.188 -5.864 555 HH11 ARG 69 1HH1 ARG 69 11.322 -1.400 -8.634 556 HH12 ARG 69 2HH1 ARG 69 12.822 -1.503 -9.509 557 HH21 ARG 69 1HH2 ARG 69 14.480 -3.334 -6.999 558 HH22 ARG 69 2HH2 ARG 69 14.624 -2.584 -8.564 559 H LEU 70 HN LEU 70 6.551 -3.433 -3.030 560 HA LEU 70 HA LEU 70 4.176 -2.147 -3.837 561 HB2 LEU 70 2HB LEU 70 4.387 -4.582 -3.584 562 HB3 LEU 70 1HB LEU 70 4.566 -4.389 -1.852 563 HG LEU 70 HG LEU 70 2.256 -3.452 -1.767 564 HD11 LEU 70 1HD1 LEU 70 2.154 -4.328 -4.647 565 HD12 LEU 70 2HD1 LEU 70 2.107 -2.662 -4.070 566 HD13 LEU 70 3HD1 LEU 70 0.786 -3.768 -3.687 567 HD21 LEU 70 3HD2 LEU 70 2.663 -5.786 -1.236 568 HD22 LEU 70 1HD2 LEU 70 2.546 -6.214 -2.942 569 HD23 LEU 70 2HD2 LEU 70 1.128 -5.609 -2.088 570 H ARG 71 HN ARG 71 5.927 -2.244 -0.816 571 HA ARG 71 HA ARG 71 4.038 -1.255 0.957 572 HB2 ARG 71 2HB ARG 71 7.024 -0.836 0.863 573 HB3 ARG 71 1HB ARG 71 6.021 -0.378 2.219 574 HG2 ARG 71 2HG ARG 71 5.321 -2.766 2.411 575 HG3 ARG 71 1HG ARG 71 6.542 -3.144 1.191 576 HD2 ARG 71 2HD ARG 71 7.032 -1.844 3.869 577 HD3 ARG 71 1HD ARG 71 7.412 -3.511 3.437 578 HE ARG 71 HE ARG 71 9.008 -2.560 1.797 579 HH11 ARG 71 1HH1 ARG 71 7.975 -0.569 4.481 580 HH12 ARG 71 2HH1 ARG 71 9.412 0.399 4.476 581 HH21 ARG 71 1HH2 ARG 71 10.913 -1.312 1.804 582 HH22 ARG 71 2HH2 ARG 71 11.100 -0.044 2.983 583 H GLY 72 HN GLY 72 6.059 0.444 -1.373 584 HA2 GLY 72 2HA GLY 72 5.709 3.062 -0.422 585 HA3 GLY 72 1HA GLY 72 6.076 2.625 -2.085 586 H ARG 73 HN ARG 73 3.680 1.092 -2.527 587 HA ARG 73 HA ARG 73 1.933 3.193 -3.314 588 HB2 ARG 73 2HB ARG 73 1.281 0.244 -3.151 589 HB3 ARG 73 1HB ARG 73 0.455 1.454 -4.122 590 HG2 ARG 73 2HG ARG 73 2.588 1.781 -5.378 591 HG3 ARG 73 1HG ARG 73 3.243 0.402 -4.493 592 HD2 ARG 73 2HD ARG 73 1.358 -0.972 -5.377 593 HD3 ARG 73 1HD ARG 73 0.876 0.408 -6.362 594 HE ARG 73 HE ARG 73 3.138 -1.340 -6.788 595 HH11 ARG 73 1HH1 ARG 73 1.598 1.688 -7.591 596 HH12 ARG 73 2HH1 ARG 73 2.503 1.916 -9.057 597 HH21 ARG 73 1HH2 ARG 73 4.313 -1.058 -8.752 598 HH22 ARG 73 2HH2 ARG 73 4.022 0.352 -9.718 599 H ILE 74 HN ILE 74 1.773 0.697 -0.822 600 HA ILE 74 HA ILE 74 -0.743 1.372 0.230 601 HB ILE 74 HB ILE 74 1.602 0.145 1.699 602 HG12 ILE 74 2HG1 ILE 74 -0.641 -1.215 0.183 603 HG13 ILE 74 1HG1 ILE 74 1.017 -1.062 -0.389 604 HG21 ILE 74 1HG2 ILE 74 -0.147 0.909 3.203 605 HG22 ILE 74 2HG2 ILE 74 -0.113 -0.854 3.142 606 HG23 ILE 74 3HG2 ILE 74 -1.360 0.034 2.267 607 HD11 ILE 74 3HD1 ILE 74 0.116 -2.569 2.053 608 HD12 ILE 74 1HD1 ILE 74 1.786 -2.398 1.512 609 HD13 ILE 74 2HD1 ILE 74 0.622 -3.267 0.513 610 H GLU 75 HN GLU 75 2.531 2.414 1.096 611 HA GLU 75 HA GLU 75 1.866 3.933 3.360 612 HB2 GLU 75 2HB GLU 75 4.159 3.156 2.543 613 HB3 GLU 75 1HB GLU 75 4.136 4.538 1.460 614 HG2 GLU 75 2HG GLU 75 3.685 4.976 4.369 615 HG3 GLU 75 1HG GLU 75 5.316 4.650 3.793 616 H SER 76 HN SER 76 2.145 4.849 -0.063 617 HA SER 76 HA SER 76 1.696 7.593 0.241 618 HB2 SER 76 2HB SER 76 1.020 5.808 -2.092 619 HB3 SER 76 1HB SER 76 1.077 7.567 -2.148 620 HG SER 76 HG SER 76 3.222 5.758 -1.692 621 H VAL 77 HN VAL 77 -0.586 4.928 -0.239 622 HA VAL 77 HA VAL 77 -2.885 6.595 -0.484 623 HB VAL 77 HB VAL 77 -2.714 3.659 0.250 624 HG11 VAL 77 1HG1 VAL 77 -4.840 4.636 0.937 625 HG12 VAL 77 2HG1 VAL 77 -5.054 3.539 -0.426 626 HG13 VAL 77 3HG1 VAL 77 -5.077 5.283 -0.687 627 HG21 VAL 77 3HG2 VAL 77 -3.272 3.272 -2.100 628 HG22 VAL 77 1HG2 VAL 77 -1.751 4.146 -1.930 629 HG23 VAL 77 2HG2 VAL 77 -3.215 5.009 -2.401 630 H LEU 78 HN LEU 78 -1.437 4.822 2.231 631 HA LEU 78 HA LEU 78 -3.514 5.317 4.073 632 HB2 LEU 78 2HB LEU 78 -0.589 4.746 4.533 633 HB3 LEU 78 1HB LEU 78 -1.791 4.801 5.808 634 HG LEU 78 HG LEU 78 -1.802 2.865 3.492 635 HD11 LEU 78 1HD1 LEU 78 -1.137 2.438 6.398 636 HD12 LEU 78 2HD1 LEU 78 0.014 2.430 5.060 637 HD13 LEU 78 3HD1 LEU 78 -1.233 1.186 5.161 638 HD21 LEU 78 3HD2 LEU 78 -4.051 3.356 4.246 639 HD22 LEU 78 1HD2 LEU 78 -3.577 3.081 5.921 640 HD23 LEU 78 2HD2 LEU 78 -3.581 1.740 4.774 641 H ASP 79 HN ASP 79 -0.645 7.180 3.208 642 HA ASP 79 HA ASP 79 -0.820 9.064 5.317 643 HB2 ASP 79 2HB ASP 79 1.179 8.748 3.854 644 HB3 ASP 79 1HB ASP 79 0.291 9.500 2.532 645 H TRP 80 HN TRP 80 -2.056 9.058 2.010 646 HA TRP 80 HA TRP 80 -3.377 11.529 2.039 647 HB2 TRP 80 2HB TRP 80 -2.944 10.252 -0.004 648 HB3 TRP 80 1HB TRP 80 -4.023 8.977 0.544 649 HD1 TRP 80 1HD TRP 80 -4.098 12.567 -0.830 650 HE1 TRP 80 1HE TRP 80 -6.445 13.020 -1.794 651 HE3 TRP 80 3HE TRP 80 -6.438 8.273 0.684 652 HZ2 TRP 80 2HZ TRP 80 -8.951 11.721 -1.887 653 HZ3 TRP 80 3HZ TRP 80 -8.808 7.962 0.114 654 HH2 TRP 80 2HH TRP 80 -10.036 9.652 -1.145 655 H ALA 81 HN ALA 81 -4.479 8.274 2.900 656 HA ALA 81 HA ALA 81 -7.158 8.909 3.452 657 HB1 ALA 81 1HB ALA 81 -6.345 6.618 3.145 658 HB2 ALA 81 2HB ALA 81 -7.235 6.802 4.657 659 HB3 ALA 81 3HB ALA 81 -5.472 6.730 4.675 660 H THR 82 HN THR 82 -4.274 9.035 5.465 661 HA THR 82 HA THR 82 -5.575 9.475 7.923 662 HB THR 82 HB THR 82 -2.802 10.331 7.069 663 HG1 THR 82 1HG THR 82 -2.567 8.215 7.074 664 HG21 THR 82 3HG2 THR 82 -3.519 11.511 9.088 665 HG22 THR 82 1HG2 THR 82 -2.291 10.306 9.476 666 HG23 THR 82 2HG2 THR 82 -3.988 9.981 9.831 667 H VAL 83 HN VAL 83 -4.354 11.726 5.472 668 HA VAL 83 HA VAL 83 -4.953 14.076 6.969 669 HB VAL 83 HB VAL 83 -4.607 13.787 3.975 670 HG11 VAL 83 1HG1 VAL 83 -4.412 16.216 5.753 671 HG12 VAL 83 2HG1 VAL 83 -5.682 15.882 4.577 672 HG13 VAL 83 3HG1 VAL 83 -4.030 16.171 4.033 673 HG21 VAL 83 3HG2 VAL 83 -2.287 14.473 4.388 674 HG22 VAL 83 1HG2 VAL 83 -2.673 12.943 5.175 675 HG23 VAL 83 2HG2 VAL 83 -2.590 14.428 6.125 676 H ARG 84 HN ARG 84 -6.727 12.113 4.648 677 HA ARG 84 HA ARG 84 -8.909 13.978 4.469 678 HB2 ARG 84 2HB ARG 84 -8.318 11.285 3.329 679 HB3 ARG 84 1HB ARG 84 -9.988 11.834 3.360 680 HG2 ARG 84 2HG ARG 84 -8.885 12.322 1.229 681 HG3 ARG 84 1HG ARG 84 -9.413 13.782 2.058 682 HD2 ARG 84 2HD ARG 84 -7.118 14.119 2.877 683 HD3 ARG 84 1HD ARG 84 -6.608 12.689 1.984 684 HE ARG 84 HE ARG 84 -7.092 13.865 -0.060 685 HH11 ARG 84 1HH1 ARG 84 -7.094 15.829 2.832 686 HH12 ARG 84 2HH1 ARG 84 -6.765 17.315 1.994 687 HH21 ARG 84 1HH2 ARG 84 -6.640 15.811 -1.187 688 HH22 ARG 84 2HH2 ARG 84 -6.483 17.300 -0.294 689 H GLY 85 HN GLY 85 -7.970 11.818 6.824 690 HA2 GLY 85 2HA GLY 85 -9.032 11.732 8.905 691 HA3 GLY 85 1HA GLY 85 -10.513 12.290 8.151 692 H TYR 86 HN TYR 86 -9.331 9.772 6.322 693 HA TYR 86 HA TYR 86 -11.427 8.024 7.168 694 HB2 TYR 86 2HB TYR 86 -9.085 7.501 5.317 695 HB3 TYR 86 1HB TYR 86 -10.464 6.428 5.529 696 HD1 TYR 86 2HD TYR 86 -12.794 7.987 5.381 697 HD2 TYR 86 1HD TYR 86 -9.143 8.591 3.291 698 HE1 TYR 86 2HE TYR 86 -14.009 9.207 3.627 699 HE2 TYR 86 1HE TYR 86 -10.347 9.815 1.532 700 HH TYR 86 HH TYR 86 -13.452 10.988 1.913 701 H ARG 87 HN ARG 87 -8.142 8.472 7.989 702 HA ARG 87 HA ARG 87 -8.474 6.763 10.290 703 HB2 ARG 87 2HB ARG 87 -6.308 5.594 9.961 704 HB3 ARG 87 1HB ARG 87 -7.497 5.149 8.745 705 HG2 ARG 87 2HG ARG 87 -6.426 6.490 7.094 706 HG3 ARG 87 1HG ARG 87 -5.352 7.209 8.296 707 HD2 ARG 87 2HD ARG 87 -5.406 4.264 7.665 708 HD3 ARG 87 1HD ARG 87 -4.330 5.405 6.862 709 HE ARG 87 HE ARG 87 -3.416 5.888 9.120 710 HH11 ARG 87 1HH1 ARG 87 -5.075 2.855 8.540 711 HH12 ARG 87 2HH1 ARG 87 -4.186 1.987 9.756 712 HH21 ARG 87 1HH2 ARG 87 -2.253 4.755 10.739 713 HH22 ARG 87 2HH2 ARG 87 -2.609 3.075 11.040 714 H GLU 88 HN GLU 88 -7.077 7.450 12.006 715 HA GLU 88 HA GLU 88 -5.322 9.697 11.326 716 HB2 GLU 88 2HB GLU 88 -7.356 9.711 13.559 717 HB3 GLU 88 1HB GLU 88 -6.097 10.921 13.346 718 HG2 GLU 88 2HG GLU 88 -7.102 11.234 10.995 719 HG3 GLU 88 1HG GLU 88 -8.502 10.388 11.650 720 H GLY 89 HN GLY 89 -3.847 10.279 13.124 721 HA2 GLY 89 2HA GLY 89 -2.747 9.434 15.166 722 HA3 GLY 89 1HA GLY 89 -3.028 7.820 14.543 723 H ASP 90 HN ASP 90 -1.597 6.932 13.216 724 HA ASP 90 HA ASP 90 0.440 8.549 11.902 725 HB2 ASP 90 2HB ASP 90 1.219 7.834 14.263 726 HB3 ASP 90 1HB ASP 90 1.283 6.202 13.612 727 H ASN 91 HN ASN 91 1.700 7.180 10.324 728 HA ASN 91 HA ASN 91 -0.048 5.248 9.076 729 HB2 ASN 91 2HB ASN 91 2.461 6.681 8.355 730 HB3 ASN 91 1HB ASN 91 2.163 5.137 7.574 731 HD21 ASN 91 1HD2 ASN 91 2.022 6.279 5.586 732 HD22 ASN 91 2HD2 ASN 91 0.569 7.110 5.158 733 HA PRO 92 HA PRO 92 2.118 1.822 10.900 734 HB2 PRO 92 2HB PRO 92 0.658 -0.144 9.845 735 HB3 PRO 92 1HB PRO 92 -0.054 1.009 10.981 736 HG2 PRO 92 2HG PRO 92 -0.346 0.835 8.024 737 HG3 PRO 92 1HG PRO 92 -1.522 1.350 9.244 738 HD2 PRO 92 2HD PRO 92 0.095 3.021 7.640 739 HD3 PRO 92 1HD PRO 92 -0.891 3.512 9.031 740 H ALA 93 HN ALA 93 2.597 2.831 7.840 741 HA ALA 93 HA ALA 93 3.797 0.357 6.843 742 HB1 ALA 93 1HB ALA 93 3.274 2.953 5.408 743 HB2 ALA 93 2HB ALA 93 2.250 1.517 5.359 744 HB3 ALA 93 3HB ALA 93 3.877 1.466 4.680 745 H ARG 94 HN ARG 94 4.796 2.861 8.678 746 HA ARG 94 HA ARG 94 7.405 3.086 7.399 747 HB2 ARG 94 2HB ARG 94 7.802 4.790 9.274 748 HB3 ARG 94 1HB ARG 94 6.700 5.225 7.982 749 HG2 ARG 94 2HG ARG 94 5.641 5.963 9.912 750 HG3 ARG 94 1HG ARG 94 4.842 4.433 9.555 751 HD2 ARG 94 2HD ARG 94 6.301 3.321 11.194 752 HD3 ARG 94 1HD ARG 94 7.036 4.877 11.573 753 HE ARG 94 HE ARG 94 4.437 5.380 12.016 754 HH11 ARG 94 1HH1 ARG 94 6.509 2.742 13.010 755 HH12 ARG 94 2HH1 ARG 94 5.644 2.445 14.487 756 HH21 ARG 94 1HH2 ARG 94 3.305 5.014 13.940 757 HH22 ARG 94 2HH2 ARG 94 3.811 3.756 15.020 758 H TRP 95 HN TRP 95 9.300 2.510 8.393 759 HA TRP 95 HA TRP 95 9.090 0.807 10.776 760 HB2 TRP 95 2HB TRP 95 9.879 0.011 8.026 761 HB3 TRP 95 1HB TRP 95 10.838 -0.639 9.354 762 HD1 TRP 95 1HD TRP 95 9.270 -1.860 11.349 763 HE1 TRP 95 1HE TRP 95 7.326 -3.501 10.999 764 HE3 TRP 95 3HE TRP 95 8.033 -0.617 6.551 765 HZ2 TRP 95 2HZ TRP 95 5.483 -4.168 8.952 766 HZ3 TRP 95 3HZ TRP 95 6.164 -1.793 5.470 767 HH2 TRP 95 2HH TRP 95 4.914 -3.531 6.646 768 H ARG 96 HN ARG 96 11.097 0.401 11.830 769 HA ARG 96 HA ARG 96 13.107 2.446 11.378 770 HB2 ARG 96 2HB ARG 96 12.590 0.479 13.582 771 HB3 ARG 96 1HB ARG 96 14.135 1.308 13.462 772 HG2 ARG 96 2HG ARG 96 11.440 2.626 13.726 773 HG3 ARG 96 1HG ARG 96 12.643 2.447 15.007 774 HD2 ARG 96 2HD ARG 96 14.233 3.763 13.663 775 HD3 ARG 96 1HD ARG 96 12.989 3.983 12.436 776 HE ARG 96 HE ARG 96 11.987 4.881 14.898 777 HH11 ARG 96 1HH1 ARG 96 14.377 5.721 12.484 778 HH12 ARG 96 2HH1 ARG 96 14.379 7.415 12.869 779 HH21 ARG 96 1HH2 ARG 96 11.946 7.125 15.393 780 HH22 ARG 96 2HH2 ARG 96 12.987 8.214 14.525 781 H GLY 97 HN GLY 97 12.946 -1.072 11.666 782 HA2 GLY 97 2HA GLY 97 14.993 -1.345 9.627 783 HA3 GLY 97 1HA GLY 97 15.478 -1.866 11.236 784 H TYR 98 HN TYR 98 12.459 -2.185 9.370 785 HA TYR 98 HA TYR 98 11.718 -4.711 10.202 786 HB2 TYR 98 2HB TYR 98 10.308 -3.198 8.831 787 HB3 TYR 98 1HB TYR 98 11.318 -3.551 7.434 788 HD1 TYR 98 1HD TYR 98 8.915 -5.012 9.829 789 HD2 TYR 98 2HD TYR 98 10.988 -5.525 6.153 790 HE1 TYR 98 1HE TYR 98 7.476 -6.931 9.294 791 HE2 TYR 98 2HE TYR 98 9.555 -7.446 5.607 792 HH TYR 98 HH TYR 98 8.169 -9.140 6.906 793 H LEU 99 HN LEU 99 13.532 -3.891 7.253 794 HA LEU 99 HA LEU 99 14.414 -6.649 6.987 795 HB2 LEU 99 2HB LEU 99 14.887 -4.222 5.253 796 HB3 LEU 99 1HB LEU 99 15.488 -5.827 4.899 797 HG LEU 99 HG LEU 99 12.573 -5.069 5.082 798 HD11 LEU 99 1HD1 LEU 99 14.321 -5.633 2.689 799 HD12 LEU 99 2HD1 LEU 99 13.612 -4.079 3.130 800 HD13 LEU 99 3HD1 LEU 99 12.571 -5.418 2.649 801 HD21 LEU 99 3HD2 LEU 99 12.189 -7.306 4.134 802 HD22 LEU 99 1HD2 LEU 99 12.944 -7.376 5.726 803 HD23 LEU 99 2HD2 LEU 99 13.914 -7.650 4.279 804 H GLU 100 HN GLU 100 16.181 -3.595 6.561 805 HA GLU 100 HA GLU 100 17.990 -4.177 8.707 806 HB2 GLU 100 2HB GLU 100 18.945 -5.665 7.056 807 HB3 GLU 100 1HB GLU 100 18.933 -4.394 5.842 808 HG2 GLU 100 2HG GLU 100 20.688 -3.243 6.864 809 HG3 GLU 100 1HG GLU 100 20.497 -4.119 8.380 810 H HIS 101 HN HIS 101 18.773 -2.333 9.512 811 HA HIS 101 HA HIS 101 18.708 0.054 7.777 812 HB2 HIS 101 2HB HIS 101 16.991 0.061 9.620 813 HB3 HIS 101 1HB HIS 101 18.314 0.013 10.782 814 HD1 HIS 101 1HD HIS 101 16.048 2.341 9.776 815 HD2 HIS 101 2HD HIS 101 20.204 2.391 9.761 816 HE1 HIS 101 1HE HIS 101 16.700 4.773 9.738 817 HE2 HIS 101 2HE HIS 101 19.215 4.772 9.926 818 H HIS 102 HN HIS 102 20.894 -0.493 7.190 819 HA HIS 102 HA HIS 102 22.787 0.402 9.262 820 HB2 HIS 102 2HB HIS 102 23.196 -1.611 7.050 821 HB3 HIS 102 1HB HIS 102 24.548 -0.810 7.840 822 HD1 HIS 102 1HD HIS 102 24.022 -3.902 7.969 823 HD2 HIS 102 2HD HIS 102 22.961 -1.135 10.890 824 HE1 HIS 102 1HE HIS 102 23.829 -5.211 10.111 825 HE2 HIS 102 2HE HIS 102 23.001 -3.548 11.818 826 H HIS 103 HN HIS 103 23.349 2.396 8.905 827 HA HIS 103 HA HIS 103 22.621 3.829 6.619 828 HB2 HIS 103 2HB HIS 103 23.066 4.687 8.983 829 HB3 HIS 103 1HB HIS 103 24.769 4.694 8.548 830 HD1 HIS 103 1HD HIS 103 25.391 7.068 8.168 831 HD2 HIS 103 2HD HIS 103 21.678 6.146 6.538 832 HE1 HIS 103 1HE HIS 103 24.605 9.173 7.038 833 HE2 HIS 103 2HE HIS 103 22.427 8.544 5.931 834 H HIS 104 HN HIS 104 25.912 2.939 7.705 835 HA HIS 104 HA HIS 104 27.879 2.689 6.572 836 HB2 HIS 104 2HB HIS 104 26.418 1.000 5.370 837 HB3 HIS 104 1HB HIS 104 26.138 2.217 4.135 838 HD1 HIS 104 1HD HIS 104 27.607 1.986 2.171 839 HD2 HIS 104 2HD HIS 104 29.397 0.492 5.626 840 HE1 HIS 104 1HE HIS 104 29.837 1.066 1.445 841 HE2 HIS 104 2HE HIS 104 30.939 0.243 3.554 842 H HIS 105 HN HIS 105 28.815 3.481 4.104 843 HA HIS 105 HA HIS 105 29.242 5.163 2.640 844 HB2 HIS 105 2HB HIS 105 26.711 5.337 2.531 845 HB3 HIS 105 1HB HIS 105 26.823 6.614 3.732 846 HD1 HIS 105 1HD HIS 105 25.943 6.601 0.549 847 HD2 HIS 105 2HD HIS 105 29.245 8.368 2.358 848 HE1 HIS 105 1HE HIS 105 26.629 8.481 -0.975 849 HE2 HIS 105 2HE HIS 105 28.462 9.682 0.269 850 H HIS 106 HN HIS 106 31.019 6.258 3.098 851 HA HIS 106 HA HIS 106 31.498 7.511 5.597 852 HB2 HIS 106 2HB HIS 106 33.327 6.643 4.191 853 HB3 HIS 106 1HB HIS 106 32.970 7.864 2.974 854 HD1 HIS 106 1HD HIS 106 34.504 9.800 3.090 855 HD2 HIS 106 2HD HIS 106 33.945 8.046 6.824 856 HE1 HIS 106 1HE HIS 106 35.940 11.112 4.678 857 HE2 HIS 106 2HE HIS 106 35.705 9.949 6.899 Start of MODEL 14 1 H1 MET 1 H1 MET 1 -15.300 2.254 5.541 2 H2 MET 1 H2 MET 1 -15.446 3.930 5.342 3 H3 MET 1 H3 MET 1 -14.093 3.285 6.135 4 HA MET 1 HA MET 1 -14.784 2.894 3.277 5 HB2 MET 1 2HB MET 1 -13.917 5.179 3.951 6 HB3 MET 1 1HB MET 1 -12.446 4.381 4.489 7 HG2 MET 1 2HG MET 1 -11.980 5.211 2.346 8 HG3 MET 1 1HG MET 1 -12.223 3.477 2.152 9 HE1 MET 1 2HE MET 1 -15.366 6.658 1.018 10 HE2 MET 1 3HE MET 1 -13.750 7.046 1.604 11 HE3 MET 1 1HE MET 1 -14.919 6.283 2.683 12 H THR 2 HN THR 2 -13.848 1.155 2.362 13 HA THR 2 HA THR 2 -12.109 -0.468 4.040 14 HB THR 2 HB THR 2 -12.250 -2.128 2.190 15 HG1 THR 2 1HG THR 2 -14.177 -0.385 1.024 16 HG21 THR 2 3HG2 THR 2 -14.891 -1.042 3.167 17 HG22 THR 2 1HG2 THR 2 -13.870 -2.211 4.001 18 HG23 THR 2 2HG2 THR 2 -14.644 -2.646 2.477 19 H PHE 3 HN PHE 3 -10.115 -1.417 3.075 20 HA PHE 3 HA PHE 3 -8.348 0.619 2.299 21 HB2 PHE 3 2HB PHE 3 -7.660 -1.450 3.469 22 HB3 PHE 3 1HB PHE 3 -7.982 -2.369 2.003 23 HD1 PHE 3 1HD PHE 3 -5.898 0.380 3.363 24 HD2 PHE 3 2HD PHE 3 -6.326 -2.625 0.383 25 HE1 PHE 3 1HE PHE 3 -3.592 0.799 2.613 26 HE2 PHE 3 2HE PHE 3 -4.023 -2.209 -0.375 27 HZ PHE 3 HZ PHE 3 -2.653 -0.497 0.741 28 H SER 4 HN SER 4 -9.990 -1.887 0.406 29 HA SER 4 HA SER 4 -8.750 -1.375 -2.058 30 HB2 SER 4 2HB SER 4 -11.543 -2.404 -1.498 31 HB3 SER 4 1HB SER 4 -10.734 -2.481 -3.065 32 HG SER 4 HG SER 4 -9.037 -3.518 -1.408 33 H GLU 5 HN GLU 5 -11.604 0.061 -0.554 34 HA GLU 5 HA GLU 5 -12.346 1.693 -2.738 35 HB2 GLU 5 2HB GLU 5 -12.882 1.853 0.219 36 HB3 GLU 5 1HB GLU 5 -13.563 2.988 -0.925 37 HG2 GLU 5 2HG GLU 5 -14.685 1.169 -2.081 38 HG3 GLU 5 1HG GLU 5 -13.987 0.018 -0.943 39 H CYS 6 HN CYS 6 -10.446 2.320 0.187 40 HA CYS 6 HA CYS 6 -10.028 5.067 -0.271 41 HB2 CYS 6 2HB CYS 6 -9.671 3.707 1.873 42 HB3 CYS 6 1HB CYS 6 -8.109 3.279 1.206 43 HG CYS 6 HG CYS 6 -7.671 6.233 0.846 44 H ALA 7 HN ALA 7 -8.056 2.229 -1.016 45 HA ALA 7 HA ALA 7 -5.887 3.555 -2.199 46 HB1 ALA 7 1HB ALA 7 -5.826 1.189 -1.601 47 HB2 ALA 7 2HB ALA 7 -5.382 1.426 -3.292 48 HB3 ALA 7 3HB ALA 7 -6.990 0.829 -2.875 49 H ALA 8 HN ALA 8 -8.938 2.402 -3.584 50 HA ALA 8 HA ALA 8 -8.390 3.107 -6.254 51 HB1 ALA 8 1HB ALA 8 -10.218 1.609 -5.626 52 HB2 ALA 8 2HB ALA 8 -10.795 2.952 -6.613 53 HB3 ALA 8 3HB ALA 8 -11.066 2.957 -4.870 54 H LEU 9 HN LEU 9 -9.872 4.910 -3.589 55 HA LEU 9 HA LEU 9 -10.547 7.207 -5.069 56 HB2 LEU 9 2HB LEU 9 -9.874 6.950 -2.136 57 HB3 LEU 9 1HB LEU 9 -10.594 8.363 -2.878 58 HG LEU 9 HG LEU 9 -11.869 5.634 -2.667 59 HD11 LEU 9 1HD1 LEU 9 -13.423 6.743 -1.143 60 HD12 LEU 9 2HD1 LEU 9 -12.516 8.247 -1.303 61 HD13 LEU 9 3HD1 LEU 9 -11.767 6.844 -0.545 62 HD21 LEU 9 3HD2 LEU 9 -13.855 6.719 -3.598 63 HD22 LEU 9 1HD2 LEU 9 -12.505 6.763 -4.732 64 HD23 LEU 9 2HD2 LEU 9 -12.938 8.208 -3.819 65 H TYR 10 HN TYR 10 -7.591 6.267 -3.378 66 HA TYR 10 HA TYR 10 -6.190 8.668 -3.610 67 HB2 TYR 10 2HB TYR 10 -5.405 6.676 -2.332 68 HB3 TYR 10 1HB TYR 10 -5.040 5.879 -3.859 69 HD1 TYR 10 2HD TYR 10 -4.158 8.784 -1.742 70 HD2 TYR 10 1HD TYR 10 -2.989 6.297 -4.989 71 HE1 TYR 10 2HE TYR 10 -1.940 9.843 -1.747 72 HE2 TYR 10 1HE TYR 10 -0.763 7.349 -5.001 73 HH TYR 10 HH TYR 10 0.223 9.588 -4.261 74 H ILE 11 HN ILE 11 -6.500 5.978 -5.866 75 HA ILE 11 HA ILE 11 -4.858 7.105 -7.895 76 HB ILE 11 HB ILE 11 -7.020 5.001 -8.130 77 HG12 ILE 11 2HG1 ILE 11 -4.028 4.681 -7.812 78 HG13 ILE 11 1HG1 ILE 11 -5.194 4.467 -6.513 79 HG21 ILE 11 1HG2 ILE 11 -5.915 4.347 -10.186 80 HG22 ILE 11 2HG2 ILE 11 -4.721 5.628 -9.979 81 HG23 ILE 11 3HG2 ILE 11 -6.414 6.035 -10.277 82 HD11 ILE 11 3HD1 ILE 11 -4.475 2.340 -7.433 83 HD12 ILE 11 1HD1 ILE 11 -5.040 2.826 -9.032 84 HD13 ILE 11 2HD1 ILE 11 -6.195 2.602 -7.716 85 H LYS 12 HN LYS 12 -8.380 6.924 -7.431 86 HA LYS 12 HA LYS 12 -9.179 8.213 -9.768 87 HB2 LYS 12 2HB LYS 12 -10.444 8.108 -7.036 88 HB3 LYS 12 1HB LYS 12 -11.226 8.867 -8.415 89 HG2 LYS 12 2HG LYS 12 -11.284 6.769 -9.592 90 HG3 LYS 12 1HG LYS 12 -10.365 5.983 -8.304 91 HD2 LYS 12 2HD LYS 12 -12.158 6.311 -6.742 92 HD3 LYS 12 1HD LYS 12 -13.048 7.298 -7.902 93 HE2 LYS 12 2HE LYS 12 -13.322 5.363 -9.353 94 HE3 LYS 12 1HE LYS 12 -12.386 4.373 -8.232 95 HZ1 LYS 12 3HZ LYS 12 -14.799 5.786 -7.304 96 HZ2 LYS 12 1HZ LYS 12 -14.073 4.390 -6.671 97 HZ3 LYS 12 2HZ LYS 12 -14.951 4.310 -8.124 98 H ALA 13 HN ALA 13 -8.397 9.610 -6.593 99 HA ALA 13 HA ALA 13 -9.129 12.264 -7.321 100 HB1 ALA 13 1HB ALA 13 -9.115 11.497 -5.001 101 HB2 ALA 13 2HB ALA 13 -8.102 12.926 -5.215 102 HB3 ALA 13 3HB ALA 13 -7.361 11.332 -5.063 103 H HIS 14 HN HIS 14 -6.564 10.444 -8.362 104 HA HIS 14 HA HIS 14 -5.029 12.882 -8.959 105 HB2 HIS 14 2HB HIS 14 -3.902 10.192 -8.152 106 HB3 HIS 14 1HB HIS 14 -2.940 11.500 -8.834 107 HD1 HIS 14 1HD HIS 14 -4.429 10.278 -5.697 108 HD2 HIS 14 2HD HIS 14 -2.674 13.775 -7.106 109 HE1 HIS 14 1HE HIS 14 -3.852 11.622 -3.650 110 HE2 HIS 14 2HE HIS 14 -2.664 13.672 -4.514 111 H ARG 15 HN ARG 15 -6.945 10.711 -10.338 112 HA ARG 15 HA ARG 15 -5.254 9.600 -12.357 113 HB2 ARG 15 2HB ARG 15 -7.259 8.743 -13.367 114 HB3 ARG 15 1HB ARG 15 -7.357 8.527 -11.630 115 HG2 ARG 15 2HG ARG 15 -8.875 10.396 -11.446 116 HG3 ARG 15 1HG ARG 15 -8.718 10.720 -13.175 117 HD2 ARG 15 2HD ARG 15 -9.683 8.548 -13.688 118 HD3 ARG 15 1HD ARG 15 -9.793 8.172 -11.969 119 HE ARG 15 HE ARG 15 -11.351 10.175 -11.885 120 HH11 ARG 15 1HH1 ARG 15 -10.988 8.151 -14.723 121 HH12 ARG 15 2HH1 ARG 15 -12.601 8.437 -15.293 122 HH21 ARG 15 1HH2 ARG 15 -13.468 10.580 -12.645 123 HH22 ARG 15 2HH2 ARG 15 -14.000 9.863 -14.141 124 H SER 16 HN SER 16 -6.789 12.614 -11.980 125 HA SER 16 HA SER 16 -6.533 13.285 -14.800 126 HB2 SER 16 2HB SER 16 -8.442 14.208 -13.521 127 HB3 SER 16 1HB SER 16 -7.315 15.031 -12.444 128 HG SER 16 HG SER 16 -6.521 15.899 -14.650 129 H SER 17 HN SER 17 -4.881 13.741 -11.764 130 HA SER 17 HA SER 17 -2.883 15.521 -12.756 131 HB2 SER 17 2HB SER 17 -2.532 13.611 -10.451 132 HB3 SER 17 1HB SER 17 -1.856 15.223 -10.654 133 HG SER 17 HG SER 17 -4.265 15.823 -10.650 134 H TRP 18 HN TRP 18 -3.589 12.257 -13.058 135 HA TRP 18 HA TRP 18 -0.901 11.565 -13.992 136 HB2 TRP 18 2HB TRP 18 -3.117 9.752 -13.013 137 HB3 TRP 18 1HB TRP 18 -1.614 9.194 -13.718 138 HD1 TRP 18 1HD TRP 18 -0.352 11.772 -11.601 139 HE1 TRP 18 1HE TRP 18 0.249 10.859 -9.255 140 HE3 TRP 18 3HE TRP 18 -2.907 7.381 -11.802 141 HZ2 TRP 18 2HZ TRP 18 -0.310 8.534 -7.706 142 HZ3 TRP 18 3HZ TRP 18 -2.829 5.844 -9.888 143 HH2 TRP 18 2HH TRP 18 -1.559 6.418 -7.869 144 H LYS 19 HN LYS 19 -1.868 12.752 -16.003 145 HA LYS 19 HA LYS 19 -3.392 11.169 -17.758 146 HB2 LYS 19 2HB LYS 19 -1.005 12.917 -18.424 147 HB3 LYS 19 1HB LYS 19 -2.182 12.310 -19.586 148 HG2 LYS 19 2HG LYS 19 -3.945 13.562 -18.472 149 HG3 LYS 19 1HG LYS 19 -2.783 14.159 -17.288 150 HD2 LYS 19 2HD LYS 19 -1.572 15.322 -19.041 151 HD3 LYS 19 1HD LYS 19 -2.672 14.670 -20.259 152 HE2 LYS 19 2HE LYS 19 -3.422 16.498 -17.981 153 HE3 LYS 19 1HE LYS 19 -3.271 16.961 -19.676 154 HZ1 LYS 19 3HZ LYS 19 -5.063 15.406 -20.204 155 HZ2 LYS 19 1HZ LYS 19 -5.576 16.586 -19.101 156 HZ3 LYS 19 2HZ LYS 19 -5.231 15.018 -18.563 157 H ASN 20 HN ASN 20 -1.533 8.570 -16.866 158 HA ASN 20 HA ASN 20 -3.702 7.915 -17.105 159 HB2 ASN 20 2HB ASN 20 -4.639 10.172 -17.283 160 HB3 ASN 20 1HB ASN 20 -4.074 10.296 -18.944 161 HD21 ASN 20 1HD2 ASN 20 -6.110 10.647 -19.755 162 HD22 ASN 20 2HD2 ASN 20 -7.309 9.401 -19.843 163 H THR 21 HN THR 21 -2.831 6.284 -17.829 164 HA THR 21 HA THR 21 -2.996 5.377 -20.511 165 HB THR 21 HB THR 21 -0.492 4.686 -20.443 166 HG1 THR 21 1HG THR 21 0.486 6.826 -19.312 167 HG21 THR 21 3HG2 THR 21 -1.317 6.222 -22.127 168 HG22 THR 21 1HG2 THR 21 0.256 6.768 -21.541 169 HG23 THR 21 2HG2 THR 21 -1.217 7.565 -20.990 170 H LYS 22 HN LYS 22 -1.271 3.138 -20.061 171 HA LYS 22 HA LYS 22 -2.739 1.589 -18.232 172 HB2 LYS 22 2HB LYS 22 -0.898 -0.069 -18.532 173 HB3 LYS 22 1HB LYS 22 -1.619 0.533 -20.015 174 HG2 LYS 22 2HG LYS 22 0.275 2.113 -20.243 175 HG3 LYS 22 1HG LYS 22 1.015 1.344 -18.838 176 HD2 LYS 22 2HD LYS 22 1.200 -0.740 -19.978 177 HD3 LYS 22 1HD LYS 22 0.209 -0.163 -21.318 178 HE2 LYS 22 2HE LYS 22 1.974 1.536 -21.796 179 HE3 LYS 22 1HE LYS 22 2.979 0.763 -20.570 180 HZ1 LYS 22 3HZ LYS 22 1.898 -0.586 -22.985 181 HZ2 LYS 22 1HZ LYS 22 2.940 -1.272 -21.834 182 HZ3 LYS 22 2HZ LYS 22 3.487 -0.009 -22.828 183 H HIS 23 HN HIS 23 -0.565 3.975 -17.527 184 HA HIS 23 HA HIS 23 0.852 3.096 -15.285 185 HB2 HIS 23 2HB HIS 23 -0.056 5.690 -16.324 186 HB3 HIS 23 1HB HIS 23 0.136 5.654 -14.576 187 HD1 HIS 23 1HD HIS 23 2.363 6.445 -13.891 188 HD2 HIS 23 2HD HIS 23 2.486 4.453 -17.546 189 HE1 HIS 23 1HE HIS 23 4.766 6.524 -14.631 190 HE2 HIS 23 2HE HIS 23 4.800 5.422 -16.899 191 H ALA 24 HN ALA 24 -2.487 4.341 -15.424 192 HA ALA 24 HA ALA 24 -2.917 4.218 -12.610 193 HB1 ALA 24 1HB ALA 24 -4.298 5.606 -14.059 194 HB2 ALA 24 2HB ALA 24 -5.297 4.447 -13.182 195 HB3 ALA 24 3HB ALA 24 -4.914 4.172 -14.881 196 H ASP 25 HN ASP 25 -3.377 1.977 -15.275 197 HA ASP 25 HA ASP 25 -4.738 -0.062 -13.887 198 HB2 ASP 25 2HB ASP 25 -4.392 0.179 -16.417 199 HB3 ASP 25 1HB ASP 25 -2.794 -0.509 -16.155 200 H GLN 26 HN GLN 26 -1.297 0.553 -14.458 201 HA GLN 26 HA GLN 26 -0.210 -1.695 -13.237 202 HB2 GLN 26 2HB GLN 26 0.790 1.129 -13.557 203 HB3 GLN 26 1HB GLN 26 1.772 -0.131 -12.839 204 HG2 GLN 26 2HG GLN 26 1.727 -1.412 -14.860 205 HG3 GLN 26 1HG GLN 26 0.577 -0.291 -15.588 206 HE21 GLN 26 1HE2 GLN 26 1.961 0.119 -17.314 207 HE22 GLN 26 2HE2 GLN 26 3.386 1.091 -17.148 208 H TRP 27 HN TRP 27 -1.113 1.428 -11.850 209 HA TRP 27 HA TRP 27 -0.316 0.872 -9.196 210 HB2 TRP 27 2HB TRP 27 -2.054 2.873 -10.544 211 HB3 TRP 27 1HB TRP 27 -2.275 2.659 -8.812 212 HD1 TRP 27 1HD TRP 27 0.445 3.722 -11.355 213 HE1 TRP 27 1HE TRP 27 2.147 5.204 -10.101 214 HE3 TRP 27 3HE TRP 27 -1.376 3.222 -6.601 215 HZ2 TRP 27 2HZ TRP 27 2.649 6.037 -7.438 216 HZ3 TRP 27 3HZ TRP 27 -0.235 4.385 -4.765 217 HH2 TRP 27 2HH TRP 27 1.733 5.763 -5.170 218 H THR 28 HN THR 28 -3.439 0.564 -10.848 219 HA THR 28 HA THR 28 -4.865 -0.236 -8.533 220 HB THR 28 HB THR 28 -5.637 -0.752 -11.415 221 HG1 THR 28 1HG THR 28 -5.239 1.481 -11.087 222 HG21 THR 28 3HG2 THR 28 -6.989 -1.969 -9.777 223 HG22 THR 28 1HG2 THR 28 -7.928 -0.685 -10.536 224 HG23 THR 28 2HG2 THR 28 -7.296 -0.466 -8.905 225 H ASN 29 HN ASN 29 -3.494 -2.048 -11.261 226 HA ASN 29 HA ASN 29 -4.707 -4.504 -10.743 227 HB2 ASN 29 2HB ASN 29 -3.256 -3.606 -12.768 228 HB3 ASN 29 1HB ASN 29 -1.962 -4.437 -11.910 229 HD21 ASN 29 1HD2 ASN 29 -4.733 -4.758 -13.871 230 HD22 ASN 29 2HD2 ASN 29 -4.712 -6.489 -14.018 231 H THR 30 HN THR 30 -1.545 -3.286 -9.695 232 HA THR 30 HA THR 30 -0.669 -5.704 -8.555 233 HB THR 30 HB THR 30 0.931 -4.187 -7.263 234 HG1 THR 30 1HG THR 30 0.164 -2.129 -9.027 235 HG21 THR 30 3HG2 THR 30 2.242 -3.676 -9.257 236 HG22 THR 30 1HG2 THR 30 0.819 -3.910 -10.272 237 HG23 THR 30 2HG2 THR 30 1.510 -5.274 -9.393 238 H ILE 31 HN ILE 31 -2.038 -2.804 -6.995 239 HA ILE 31 HA ILE 31 -2.017 -3.898 -4.388 240 HB ILE 31 HB ILE 31 -3.737 -1.666 -5.480 241 HG12 ILE 31 2HG1 ILE 31 -1.072 -1.544 -4.044 242 HG13 ILE 31 1HG1 ILE 31 -1.300 -1.306 -5.778 243 HG21 ILE 31 1HG2 ILE 31 -2.995 -2.331 -2.633 244 HG22 ILE 31 2HG2 ILE 31 -4.585 -2.546 -3.366 245 HG23 ILE 31 3HG2 ILE 31 -3.921 -0.926 -3.160 246 HD11 ILE 31 3HD1 ILE 31 -1.052 0.806 -4.585 247 HD12 ILE 31 1HD1 ILE 31 -2.460 0.422 -3.596 248 HD13 ILE 31 2HD1 ILE 31 -2.643 0.674 -5.332 249 H LYS 32 HN LYS 32 -4.468 -3.777 -6.906 250 HA LYS 32 HA LYS 32 -6.660 -4.696 -5.425 251 HB2 LYS 32 2HB LYS 32 -6.330 -3.831 -7.945 252 HB3 LYS 32 1HB LYS 32 -6.375 -5.557 -8.263 253 HG2 LYS 32 2HG LYS 32 -8.518 -4.035 -6.798 254 HG3 LYS 32 1HG LYS 32 -8.555 -4.420 -8.517 255 HD2 LYS 32 2HD LYS 32 -8.432 -6.823 -7.928 256 HD3 LYS 32 1HD LYS 32 -8.532 -6.374 -6.222 257 HE2 LYS 32 2HE LYS 32 -10.685 -5.231 -6.720 258 HE3 LYS 32 1HE LYS 32 -10.593 -5.869 -8.361 259 HZ1 LYS 32 3HZ LYS 32 -10.733 -7.469 -5.864 260 HZ2 LYS 32 1HZ LYS 32 -10.581 -8.114 -7.427 261 HZ3 LYS 32 2HZ LYS 32 -11.982 -7.261 -6.991 262 H THR 33 HN THR 33 -4.034 -6.409 -7.017 263 HA THR 33 HA THR 33 -5.317 -8.982 -6.749 264 HB THR 33 HB THR 33 -2.486 -8.371 -7.610 265 HG1 THR 33 1HG THR 33 -3.733 -7.365 -9.103 266 HG21 THR 33 3HG2 THR 33 -2.859 -10.715 -6.999 267 HG22 THR 33 1HG2 THR 33 -2.628 -10.546 -8.740 268 HG23 THR 33 2HG2 THR 33 -4.248 -10.782 -8.085 269 H TYR 34 HN TYR 34 -2.445 -7.406 -5.329 270 HA TYR 34 HA TYR 34 -1.900 -9.720 -3.706 271 HB2 TYR 34 2HB TYR 34 -0.597 -7.004 -3.870 272 HB3 TYR 34 1HB TYR 34 -0.065 -8.264 -2.757 273 HD1 TYR 34 2HD TYR 34 0.901 -10.367 -3.644 274 HD2 TYR 34 1HD TYR 34 -0.082 -7.119 -6.206 275 HE1 TYR 34 2HE TYR 34 2.280 -11.360 -5.421 276 HE2 TYR 34 1HE TYR 34 1.290 -8.104 -7.993 277 HH TYR 34 HH TYR 34 2.516 -11.308 -7.818 278 H CYS 35 HN CYS 35 -3.058 -6.416 -3.040 279 HA CYS 35 HA CYS 35 -3.215 -7.041 -0.205 280 HB2 CYS 35 2HB CYS 35 -3.941 -4.501 -1.672 281 HB3 CYS 35 1HB CYS 35 -3.803 -4.688 0.073 282 HG CYS 35 HG CYS 35 -0.982 -5.538 -0.373 283 H GLY 36 HN GLY 36 -5.317 -6.782 -2.936 284 HA2 GLY 36 2HA GLY 36 -7.744 -6.081 -1.857 285 HA3 GLY 36 1HA GLY 36 -7.554 -7.166 -3.219 286 HA PRO 37 HA PRO 37 -9.097 -10.680 -1.159 287 HB2 PRO 37 2HB PRO 37 -6.465 -12.051 -1.026 288 HB3 PRO 37 1HB PRO 37 -7.980 -12.588 -1.758 289 HG2 PRO 37 2HG PRO 37 -5.967 -11.753 -3.279 290 HG3 PRO 37 1HG PRO 37 -7.643 -11.342 -3.686 291 HD2 PRO 37 2HD PRO 37 -5.527 -9.647 -2.418 292 HD3 PRO 37 1HD PRO 37 -6.747 -9.210 -3.632 293 H VAL 38 HN VAL 38 -6.315 -9.248 0.371 294 HA VAL 38 HA VAL 38 -6.833 -10.774 2.824 295 HB VAL 38 HB VAL 38 -4.490 -8.946 2.292 296 HG11 VAL 38 1HG1 VAL 38 -3.462 -10.178 4.162 297 HG12 VAL 38 2HG1 VAL 38 -4.970 -11.062 4.389 298 HG13 VAL 38 3HG1 VAL 38 -4.923 -9.318 4.651 299 HG21 VAL 38 3HG2 VAL 38 -4.651 -11.942 1.986 300 HG22 VAL 38 1HG2 VAL 38 -3.188 -10.970 1.845 301 HG23 VAL 38 2HG2 VAL 38 -4.495 -10.775 0.673 302 H ILE 39 HN ILE 39 -5.618 -7.452 2.384 303 HA ILE 39 HA ILE 39 -7.278 -6.672 4.668 304 HB ILE 39 HB ILE 39 -5.871 -4.632 4.744 305 HG12 ILE 39 2HG1 ILE 39 -4.288 -6.011 2.561 306 HG13 ILE 39 1HG1 ILE 39 -5.260 -4.553 2.356 307 HG21 ILE 39 1HG2 ILE 39 -5.320 -6.560 6.111 308 HG22 ILE 39 2HG2 ILE 39 -3.849 -5.754 5.567 309 HG23 ILE 39 3HG2 ILE 39 -4.374 -7.249 4.793 310 HD11 ILE 39 3HD1 ILE 39 -2.881 -4.053 2.536 311 HD12 ILE 39 1HD1 ILE 39 -2.834 -4.811 4.127 312 HD13 ILE 39 2HD1 ILE 39 -3.791 -3.350 3.872 313 H GLY 40 HN GLY 40 -7.732 -6.770 1.507 314 HA2 GLY 40 2HA GLY 40 -8.390 -4.232 0.597 315 HA3 GLY 40 1HA GLY 40 -9.134 -5.719 0.039 316 HA PRO 41 HA PRO 41 -12.936 -4.654 1.962 317 HB2 PRO 41 2HB PRO 41 -13.280 -7.108 3.482 318 HB3 PRO 41 1HB PRO 41 -14.096 -6.591 2.007 319 HG2 PRO 41 2HG PRO 41 -12.331 -8.649 2.074 320 HG3 PRO 41 1HG PRO 41 -12.570 -7.628 0.646 321 HD2 PRO 41 2HD PRO 41 -10.396 -7.522 2.704 322 HD3 PRO 41 1HD PRO 41 -10.286 -7.350 0.939 323 H LEU 42 HN LEU 42 -10.312 -4.863 3.896 324 HA LEU 42 HA LEU 42 -11.702 -4.571 6.434 325 HB2 LEU 42 2HB LEU 42 -8.767 -4.469 5.739 326 HB3 LEU 42 1HB LEU 42 -9.406 -4.299 7.362 327 HG LEU 42 HG LEU 42 -9.634 -6.754 5.620 328 HD11 LEU 42 1HD1 LEU 42 -7.390 -6.416 6.493 329 HD12 LEU 42 2HD1 LEU 42 -8.177 -7.779 7.290 330 HD13 LEU 42 3HD1 LEU 42 -8.041 -6.230 8.122 331 HD21 LEU 42 3HD2 LEU 42 -11.604 -6.489 7.025 332 HD22 LEU 42 1HD2 LEU 42 -10.575 -6.269 8.443 333 HD23 LEU 42 2HD2 LEU 42 -10.597 -7.817 7.600 334 H SER 43 HN SER 43 -11.209 -2.683 7.810 335 HA SER 43 HA SER 43 -11.806 -0.293 6.379 336 HB2 SER 43 2HB SER 43 -12.672 -0.753 8.652 337 HB3 SER 43 1HB SER 43 -11.033 -0.646 9.284 338 HG SER 43 HG SER 43 -12.728 1.307 8.991 339 H VAL 44 HN VAL 44 -10.529 1.400 5.838 340 HA VAL 44 HA VAL 44 -7.709 1.106 5.753 341 HB VAL 44 HB VAL 44 -8.999 2.491 4.143 342 HG11 VAL 44 1HG1 VAL 44 -9.683 4.762 4.781 343 HG12 VAL 44 2HG1 VAL 44 -9.286 4.398 6.460 344 HG13 VAL 44 3HG1 VAL 44 -10.587 3.524 5.654 345 HG21 VAL 44 3HG2 VAL 44 -6.600 2.809 4.350 346 HG22 VAL 44 1HG2 VAL 44 -6.843 3.966 5.659 347 HG23 VAL 44 2HG2 VAL 44 -7.391 4.352 4.026 348 H GLN 45 HN GLN 45 -9.908 2.266 8.119 349 HA GLN 45 HA GLN 45 -8.038 3.847 9.608 350 HB2 GLN 45 2HB GLN 45 -10.619 3.978 9.617 351 HB3 GLN 45 1HB GLN 45 -10.557 2.599 10.702 352 HG2 GLN 45 2HG GLN 45 -9.108 5.164 11.285 353 HG3 GLN 45 1HG GLN 45 -10.787 4.899 11.744 354 HE21 GLN 45 1HE2 GLN 45 -8.416 5.352 13.389 355 HE22 GLN 45 2HE2 GLN 45 -8.309 3.999 14.462 356 H ASP 46 HN ASP 46 -9.147 0.505 9.612 357 HA ASP 46 HA ASP 46 -7.772 -0.122 12.071 358 HB2 ASP 46 2HB ASP 46 -9.453 -1.669 10.146 359 HB3 ASP 46 1HB ASP 46 -8.421 -2.537 11.275 360 H VAL 47 HN VAL 47 -6.754 0.199 8.895 361 HA VAL 47 HA VAL 47 -5.052 -1.981 8.531 362 HB VAL 47 HB VAL 47 -4.634 0.855 7.565 363 HG11 VAL 47 1HG1 VAL 47 -3.383 -1.731 6.637 364 HG12 VAL 47 2HG1 VAL 47 -2.559 -0.420 7.479 365 HG13 VAL 47 3HG1 VAL 47 -3.195 -0.161 5.854 366 HG21 VAL 47 3HG2 VAL 47 -5.906 -1.541 6.247 367 HG22 VAL 47 1HG2 VAL 47 -5.585 0.006 5.461 368 HG23 VAL 47 2HG2 VAL 47 -6.734 -0.085 6.796 369 H ASP 48 HN ASP 48 -3.714 -2.653 10.034 370 HA ASP 48 HA ASP 48 -1.857 -0.727 11.266 371 HB2 ASP 48 2HB ASP 48 -3.268 -1.654 12.971 372 HB3 ASP 48 1HB ASP 48 -3.037 -3.284 12.360 373 H THR 49 HN THR 49 0.214 -1.823 11.964 374 HA THR 49 HA THR 49 1.599 -2.645 9.683 375 HB THR 49 HB THR 49 2.596 -3.311 12.429 376 HG1 THR 49 1HG THR 49 2.609 -1.267 13.002 377 HG21 THR 49 3HG2 THR 49 4.714 -2.512 11.501 378 HG22 THR 49 1HG2 THR 49 3.902 -2.088 9.993 379 HG23 THR 49 2HG2 THR 49 4.022 -3.778 10.486 380 H LYS 50 HN LYS 50 0.197 -4.528 12.339 381 HA LYS 50 HA LYS 50 1.437 -6.989 11.763 382 HB2 LYS 50 2HB LYS 50 0.181 -6.314 13.856 383 HB3 LYS 50 1HB LYS 50 -1.302 -6.594 12.963 384 HG2 LYS 50 2HG LYS 50 -0.801 -8.503 14.318 385 HG3 LYS 50 1HG LYS 50 -0.632 -8.929 12.615 386 HD2 LYS 50 2HD LYS 50 1.809 -8.623 12.810 387 HD3 LYS 50 1HD LYS 50 1.611 -8.271 14.528 388 HE2 LYS 50 2HE LYS 50 0.666 -10.500 14.879 389 HE3 LYS 50 1HE LYS 50 0.845 -10.852 13.160 390 HZ1 LYS 50 3HZ LYS 50 2.661 -11.817 14.378 391 HZ2 LYS 50 1HZ LYS 50 3.042 -10.328 15.096 392 HZ3 LYS 50 2HZ LYS 50 3.261 -10.550 13.430 393 H LEU 51 HN LEU 51 -1.555 -5.507 10.641 394 HA LEU 51 HA LEU 51 -2.523 -7.707 9.160 395 HB2 LEU 51 2HB LEU 51 -3.003 -4.748 8.812 396 HB3 LEU 51 1HB LEU 51 -3.900 -6.004 7.993 397 HG LEU 51 HG LEU 51 -3.848 -5.515 10.960 398 HD11 LEU 51 1HD1 LEU 51 -6.197 -4.922 10.648 399 HD12 LEU 51 2HD1 LEU 51 -6.013 -5.136 8.907 400 HD13 LEU 51 3HD1 LEU 51 -5.125 -3.859 9.737 401 HD21 LEU 51 3HD2 LEU 51 -5.380 -7.569 9.365 402 HD22 LEU 51 1HD2 LEU 51 -5.562 -7.256 11.093 403 HD23 LEU 51 2HD2 LEU 51 -4.044 -7.900 10.466 404 H ILE 52 HN ILE 52 -0.409 -5.006 8.356 405 HA ILE 52 HA ILE 52 -0.181 -5.538 5.590 406 HB ILE 52 HB ILE 52 1.836 -4.218 7.417 407 HG12 ILE 52 2HG1 ILE 52 -0.352 -2.997 5.723 408 HG13 ILE 52 1HG1 ILE 52 -0.392 -3.151 7.475 409 HG21 ILE 52 1HG2 ILE 52 2.823 -4.893 5.298 410 HG22 ILE 52 2HG2 ILE 52 2.655 -3.138 5.370 411 HG23 ILE 52 3HG2 ILE 52 1.518 -4.093 4.421 412 HD11 ILE 52 3HD1 ILE 52 0.202 -0.901 6.834 413 HD12 ILE 52 1HD1 ILE 52 1.558 -1.505 5.881 414 HD13 ILE 52 2HD1 ILE 52 1.564 -1.685 7.635 415 H MET 53 HN MET 53 1.609 -6.644 8.422 416 HA MET 53 HA MET 53 3.660 -8.044 7.131 417 HB2 MET 53 2HB MET 53 2.301 -8.629 9.766 418 HB3 MET 53 1HB MET 53 3.785 -9.397 9.225 419 HG2 MET 53 2HG MET 53 4.909 -7.239 9.195 420 HG3 MET 53 1HG MET 53 3.417 -6.450 9.702 421 HE1 MET 53 3HE MET 53 4.612 -5.286 11.767 422 HE2 MET 53 1HE MET 53 6.136 -5.999 11.230 423 HE3 MET 53 2HE MET 53 5.631 -6.158 12.911 424 H LYS 54 HN LYS 54 0.361 -8.986 7.907 425 HA LYS 54 HA LYS 54 0.548 -11.715 7.280 426 HB2 LYS 54 2HB LYS 54 -1.824 -9.850 7.044 427 HB3 LYS 54 1HB LYS 54 -1.913 -11.603 6.952 428 HG2 LYS 54 2HG LYS 54 -1.004 -11.723 9.255 429 HG3 LYS 54 1HG LYS 54 -1.072 -9.961 9.330 430 HD2 LYS 54 2HD LYS 54 -3.027 -10.921 10.399 431 HD3 LYS 54 1HD LYS 54 -3.505 -10.060 8.932 432 HE2 LYS 54 2HE LYS 54 -3.610 -12.176 7.719 433 HE3 LYS 54 1HE LYS 54 -3.094 -13.041 9.167 434 HZ1 LYS 54 3HZ LYS 54 -5.616 -11.494 8.860 435 HZ2 LYS 54 1HZ LYS 54 -5.113 -12.283 10.277 436 HZ3 LYS 54 2HZ LYS 54 -5.471 -13.184 8.890 437 H VAL 55 HN VAL 55 -0.035 -8.888 5.281 438 HA VAL 55 HA VAL 55 -0.648 -10.367 2.907 439 HB VAL 55 HB VAL 55 0.242 -7.484 3.107 440 HG11 VAL 55 1HG1 VAL 55 -1.361 -8.920 0.996 441 HG12 VAL 55 2HG1 VAL 55 0.319 -8.405 0.847 442 HG13 VAL 55 3HG1 VAL 55 -0.963 -7.203 1.003 443 HG21 VAL 55 3HG2 VAL 55 -2.123 -6.896 3.178 444 HG22 VAL 55 1HG2 VAL 55 -1.671 -7.880 4.571 445 HG23 VAL 55 2HG2 VAL 55 -2.554 -8.606 3.226 446 H LEU 56 HN LEU 56 2.228 -8.786 4.211 447 HA LEU 56 HA LEU 56 3.712 -9.058 1.777 448 HB2 LEU 56 2HB LEU 56 4.542 -8.248 4.554 449 HB3 LEU 56 1HB LEU 56 5.623 -8.243 3.175 450 HG LEU 56 HG LEU 56 3.145 -6.545 3.496 451 HD11 LEU 56 1HD1 LEU 56 4.723 -4.687 3.588 452 HD12 LEU 56 2HD1 LEU 56 6.073 -5.816 3.482 453 HD13 LEU 56 3HD1 LEU 56 5.018 -5.835 4.895 454 HD21 LEU 56 3HD2 LEU 56 3.507 -7.215 1.164 455 HD22 LEU 56 1HD2 LEU 56 5.163 -6.618 1.252 456 HD23 LEU 56 2HD2 LEU 56 3.812 -5.494 1.404 457 H ASP 57 HN ASP 57 3.256 -11.041 4.570 458 HA ASP 57 HA ASP 57 5.623 -12.376 4.891 459 HB2 ASP 57 2HB ASP 57 3.374 -12.690 6.121 460 HB3 ASP 57 1HB ASP 57 3.036 -13.905 4.905 461 HA PRO 58 HA PRO 58 4.752 -15.514 1.390 462 HB2 PRO 58 2HB PRO 58 2.646 -15.226 -0.255 463 HB3 PRO 58 1HB PRO 58 2.504 -16.033 1.311 464 HG2 PRO 58 2HG PRO 58 1.778 -13.229 0.555 465 HG3 PRO 58 1HG PRO 58 0.869 -14.392 1.538 466 HD2 PRO 58 2HD PRO 58 2.389 -12.395 2.607 467 HD3 PRO 58 1HD PRO 58 2.096 -13.941 3.423 468 H ILE 59 HN ILE 59 4.290 -12.117 0.839 469 HA ILE 59 HA ILE 59 4.864 -12.204 -1.975 470 HB ILE 59 HB ILE 59 4.790 -9.827 -0.111 471 HG12 ILE 59 2HG1 ILE 59 2.708 -10.948 -2.004 472 HG13 ILE 59 1HG1 ILE 59 2.632 -10.987 -0.245 473 HG21 ILE 59 1HG2 ILE 59 4.566 -8.500 -2.172 474 HG22 ILE 59 2HG2 ILE 59 4.797 -9.966 -3.128 475 HG23 ILE 59 3HG2 ILE 59 6.102 -9.364 -2.106 476 HD11 ILE 59 3HD1 ILE 59 1.208 -9.248 -1.149 477 HD12 ILE 59 1HD1 ILE 59 2.589 -8.516 -1.966 478 HD13 ILE 59 2HD1 ILE 59 2.519 -8.547 -0.203 479 H TRP 60 HN TRP 60 6.677 -11.398 0.967 480 HA TRP 60 HA TRP 60 9.042 -10.504 -0.238 481 HB2 TRP 60 2HB TRP 60 8.545 -11.913 2.381 482 HB3 TRP 60 1HB TRP 60 10.154 -11.403 1.888 483 HD1 TRP 60 1HD TRP 60 7.412 -10.242 3.921 484 HE1 TRP 60 1HE TRP 60 7.506 -7.696 4.291 485 HE3 TRP 60 3HE TRP 60 10.753 -9.020 0.254 486 HZ2 TRP 60 2HZ TRP 60 8.821 -5.462 3.169 487 HZ3 TRP 60 3HZ TRP 60 11.375 -6.655 -0.033 488 HH2 TRP 60 2HH TRP 60 10.428 -4.917 1.393 489 H GLU 61 HN GLU 61 7.771 -13.694 0.166 490 HA GLU 61 HA GLU 61 10.222 -15.082 -0.260 491 HB2 GLU 61 2HB GLU 61 7.327 -15.919 -0.230 492 HB3 GLU 61 1HB GLU 61 8.666 -17.030 -0.382 493 HG2 GLU 61 2HG GLU 61 8.285 -15.163 1.934 494 HG3 GLU 61 1HG GLU 61 7.742 -16.839 1.915 495 H GLN 62 HN GLN 62 7.660 -13.828 -2.222 496 HA GLN 62 HA GLN 62 8.468 -15.406 -4.532 497 HB2 GLN 62 2HB GLN 62 6.207 -13.428 -4.203 498 HB3 GLN 62 1HB GLN 62 6.495 -14.430 -5.616 499 HG2 GLN 62 2HG GLN 62 6.183 -16.437 -4.198 500 HG3 GLN 62 1HG GLN 62 5.765 -15.370 -2.856 501 HE21 GLN 62 1HE2 GLN 62 3.678 -16.175 -2.674 502 HE22 GLN 62 2HE2 GLN 62 2.453 -15.847 -3.848 503 H LYS 63 HN LYS 63 7.831 -11.952 -3.837 504 HA LYS 63 HA LYS 63 9.944 -11.235 -5.736 505 HB2 LYS 63 2HB LYS 63 7.091 -10.254 -5.937 506 HB3 LYS 63 1HB LYS 63 8.439 -9.576 -6.835 507 HG2 LYS 63 2HG LYS 63 8.756 -11.652 -8.015 508 HG3 LYS 63 1HG LYS 63 7.510 -12.434 -7.039 509 HD2 LYS 63 2HD LYS 63 5.841 -10.879 -7.943 510 HD3 LYS 63 1HD LYS 63 7.092 -10.112 -8.925 511 HE2 LYS 63 2HE LYS 63 6.323 -13.022 -9.112 512 HE3 LYS 63 1HE LYS 63 5.686 -11.757 -10.162 513 HZ1 LYS 63 3HZ LYS 63 7.883 -11.329 -10.986 514 HZ2 LYS 63 1HZ LYS 63 7.558 -12.985 -11.146 515 HZ3 LYS 63 2HZ LYS 63 8.568 -12.438 -9.898 516 HA PRO 64 HA PRO 64 10.210 -8.648 -1.911 517 HB2 PRO 64 2HB PRO 64 12.991 -8.516 -2.932 518 HB3 PRO 64 1HB PRO 64 12.407 -8.841 -1.296 519 HG2 PRO 64 2HG PRO 64 13.396 -10.799 -2.815 520 HG3 PRO 64 1HG PRO 64 12.016 -11.081 -1.737 521 HD2 PRO 64 2HD PRO 64 12.061 -10.701 -4.701 522 HD3 PRO 64 1HD PRO 64 11.062 -11.792 -3.720 523 H GLU 65 HN GLU 65 11.379 -8.145 -5.206 524 HA GLU 65 HA GLU 65 11.788 -5.365 -5.056 525 HB2 GLU 65 2HB GLU 65 11.530 -7.412 -7.146 526 HB3 GLU 65 1HB GLU 65 11.009 -5.817 -7.644 527 HG2 GLU 65 2HG GLU 65 13.342 -6.219 -8.207 528 HG3 GLU 65 1HG GLU 65 13.171 -4.893 -7.060 529 H THR 66 HN THR 66 8.967 -7.311 -5.938 530 HA THR 66 HA THR 66 7.280 -5.088 -6.522 531 HB THR 66 HB THR 66 6.432 -7.898 -5.779 532 HG1 THR 66 1HG THR 66 6.930 -6.879 -8.398 533 HG21 THR 66 3HG2 THR 66 4.607 -6.273 -5.831 534 HG22 THR 66 1HG2 THR 66 4.483 -7.392 -7.189 535 HG23 THR 66 2HG2 THR 66 5.098 -5.759 -7.444 536 H ALA 67 HN ALA 67 7.896 -7.088 -3.696 537 HA ALA 67 HA ALA 67 5.857 -6.090 -2.038 538 HB1 ALA 67 1HB ALA 67 8.590 -7.084 -1.230 539 HB2 ALA 67 2HB ALA 67 7.168 -8.090 -1.507 540 HB3 ALA 67 3HB ALA 67 7.182 -6.932 -0.178 541 H SER 68 HN SER 68 9.159 -4.970 -2.633 542 HA SER 68 HA SER 68 9.134 -2.847 -0.768 543 HB2 SER 68 2HB SER 68 10.725 -3.104 -3.334 544 HB3 SER 68 1HB SER 68 11.083 -2.002 -2.003 545 HG SER 68 HG SER 68 11.216 -4.831 -2.039 546 H ARG 69 HN ARG 69 8.248 -3.029 -4.198 547 HA ARG 69 HA ARG 69 7.659 -0.279 -4.493 548 HB2 ARG 69 2HB ARG 69 6.860 -2.746 -6.018 549 HB3 ARG 69 1HB ARG 69 6.291 -1.155 -6.472 550 HG2 ARG 69 2HG ARG 69 8.784 -0.508 -6.478 551 HG3 ARG 69 1HG ARG 69 9.058 -2.248 -6.538 552 HD2 ARG 69 2HD ARG 69 7.709 -2.399 -8.569 553 HD3 ARG 69 1HD ARG 69 7.405 -0.663 -8.501 554 HE ARG 69 HE ARG 69 9.753 -1.970 -9.488 555 HH11 ARG 69 1HH1 ARG 69 8.542 0.997 -8.037 556 HH12 ARG 69 2HH1 ARG 69 9.898 1.948 -8.568 557 HH21 ARG 69 1HH2 ARG 69 11.515 -0.694 -10.199 558 HH22 ARG 69 2HH2 ARG 69 11.577 0.991 -9.774 559 H LEU 70 HN LEU 70 5.737 -3.085 -3.569 560 HA LEU 70 HA LEU 70 3.228 -1.808 -3.492 561 HB2 LEU 70 2HB LEU 70 3.645 -4.278 -3.414 562 HB3 LEU 70 1HB LEU 70 4.181 -4.088 -1.757 563 HG LEU 70 HG LEU 70 1.922 -3.255 -1.151 564 HD11 LEU 70 1HD1 LEU 70 1.231 -4.023 -3.984 565 HD12 LEU 70 2HD1 LEU 70 1.273 -2.383 -3.335 566 HD13 LEU 70 3HD1 LEU 70 0.085 -3.540 -2.734 567 HD21 LEU 70 3HD2 LEU 70 2.517 -5.609 -0.858 568 HD22 LEU 70 1HD2 LEU 70 1.968 -5.954 -2.499 569 HD23 LEU 70 2HD2 LEU 70 0.813 -5.422 -1.277 570 H ARG 71 HN ARG 71 5.794 -2.191 -1.105 571 HA ARG 71 HA ARG 71 4.616 -1.093 1.148 572 HB2 ARG 71 2HB ARG 71 7.407 -1.189 0.088 573 HB3 ARG 71 1HB ARG 71 7.071 -0.202 1.499 574 HG2 ARG 71 2HG ARG 71 6.556 -2.028 2.818 575 HG3 ARG 71 1HG ARG 71 6.217 -3.063 1.428 576 HD2 ARG 71 2HD ARG 71 8.444 -3.345 2.778 577 HD3 ARG 71 1HD ARG 71 8.440 -3.480 1.022 578 HE ARG 71 HE ARG 71 8.979 -0.863 1.411 579 HH11 ARG 71 1HH1 ARG 71 10.389 -3.765 2.787 580 HH12 ARG 71 2HH1 ARG 71 11.982 -3.089 2.879 581 HH21 ARG 71 1HH2 ARG 71 11.072 0.011 1.527 582 HH22 ARG 71 2HH2 ARG 71 12.374 -0.947 2.182 583 H GLY 72 HN GLY 72 6.388 0.579 -1.442 584 HA2 GLY 72 2HA GLY 72 6.137 3.170 -0.370 585 HA3 GLY 72 1HA GLY 72 6.466 2.791 -2.055 586 H ARG 73 HN ARG 73 4.119 1.389 -2.659 587 HA ARG 73 HA ARG 73 2.419 3.578 -3.257 588 HB2 ARG 73 2HB ARG 73 1.998 0.597 -3.576 589 HB3 ARG 73 1HB ARG 73 0.914 1.826 -4.218 590 HG2 ARG 73 2HG ARG 73 2.685 2.710 -5.610 591 HG3 ARG 73 1HG ARG 73 3.827 1.555 -4.928 592 HD2 ARG 73 2HD ARG 73 2.494 -0.290 -5.853 593 HD3 ARG 73 1HD ARG 73 1.374 0.881 -6.548 594 HE ARG 73 HE ARG 73 3.527 1.719 -7.719 595 HH11 ARG 73 1HH1 ARG 73 2.725 -1.627 -7.065 596 HH12 ARG 73 2HH1 ARG 73 3.673 -2.245 -8.384 597 HH21 ARG 73 1HH2 ARG 73 4.752 0.916 -9.468 598 HH22 ARG 73 2HH2 ARG 73 4.782 -0.798 -9.781 599 H ILE 74 HN ILE 74 2.146 0.874 -0.966 600 HA ILE 74 HA ILE 74 -0.409 1.554 0.021 601 HB ILE 74 HB ILE 74 1.866 0.073 1.357 602 HG12 ILE 74 2HG1 ILE 74 -0.682 -0.919 0.056 603 HG13 ILE 74 1HG1 ILE 74 0.919 -0.985 -0.674 604 HG21 ILE 74 1HG2 ILE 74 0.204 -0.745 2.961 605 HG22 ILE 74 2HG2 ILE 74 -1.010 0.303 2.232 606 HG23 ILE 74 3HG2 ILE 74 0.381 1.009 3.053 607 HD11 ILE 74 3HD1 ILE 74 1.658 -2.472 1.124 608 HD12 ILE 74 1HD1 ILE 74 0.289 -3.137 0.232 609 HD13 ILE 74 2HD1 ILE 74 0.040 -2.415 1.822 610 H GLU 75 HN GLU 75 2.856 2.530 0.974 611 HA GLU 75 HA GLU 75 2.280 3.946 3.301 612 HB2 GLU 75 2HB GLU 75 4.568 3.506 2.514 613 HB3 GLU 75 1HB GLU 75 4.326 4.614 1.172 614 HG2 GLU 75 2HG GLU 75 3.858 6.386 2.949 615 HG3 GLU 75 1HG GLU 75 4.553 5.241 4.095 616 H SER 76 HN SER 76 2.325 5.071 -0.051 617 HA SER 76 HA SER 76 1.713 7.755 0.450 618 HB2 SER 76 2HB SER 76 1.106 6.117 -2.004 619 HB3 SER 76 1HB SER 76 1.190 7.875 -1.932 620 HG SER 76 HG SER 76 3.429 7.353 -1.020 621 H VAL 77 HN VAL 77 -0.401 5.003 -0.259 622 HA VAL 77 HA VAL 77 -2.798 6.490 -0.402 623 HB VAL 77 HB VAL 77 -2.411 3.577 0.314 624 HG11 VAL 77 1HG1 VAL 77 -4.751 3.301 -0.384 625 HG12 VAL 77 2HG1 VAL 77 -4.892 5.049 -0.572 626 HG13 VAL 77 3HG1 VAL 77 -4.603 4.354 1.023 627 HG21 VAL 77 3HG2 VAL 77 -1.492 4.131 -1.875 628 HG22 VAL 77 1HG2 VAL 77 -3.011 4.904 -2.330 629 HG23 VAL 77 2HG2 VAL 77 -2.960 3.165 -2.047 630 H LEU 78 HN LEU 78 -1.315 4.662 2.273 631 HA LEU 78 HA LEU 78 -3.367 5.201 4.136 632 HB2 LEU 78 2HB LEU 78 -0.466 4.480 4.547 633 HB3 LEU 78 1HB LEU 78 -1.645 4.569 5.843 634 HG LEU 78 HG LEU 78 -1.767 2.673 3.496 635 HD11 LEU 78 1HD1 LEU 78 -1.185 2.149 6.403 636 HD12 LEU 78 2HD1 LEU 78 0.014 2.160 5.111 637 HD13 LEU 78 3HD1 LEU 78 -1.268 0.948 5.117 638 HD21 LEU 78 3HD2 LEU 78 -3.623 1.646 4.728 639 HD22 LEU 78 1HD2 LEU 78 -3.988 3.306 4.262 640 HD23 LEU 78 2HD2 LEU 78 -3.536 2.937 5.926 641 H ASP 79 HN ASP 79 -0.341 6.870 3.382 642 HA ASP 79 HA ASP 79 -0.488 8.758 5.486 643 HB2 ASP 79 2HB ASP 79 1.594 8.377 4.291 644 HB3 ASP 79 1HB ASP 79 0.871 8.948 2.791 645 H TRP 80 HN TRP 80 -1.632 8.785 2.152 646 HA TRP 80 HA TRP 80 -2.615 11.397 2.033 647 HB2 TRP 80 2HB TRP 80 -2.453 10.072 0.038 648 HB3 TRP 80 1HB TRP 80 -3.528 8.846 0.698 649 HD1 TRP 80 1HD TRP 80 -3.686 12.520 -0.535 650 HE1 TRP 80 1HE TRP 80 -6.051 12.940 -1.469 651 HE3 TRP 80 3HE TRP 80 -5.830 8.029 0.636 652 HZ2 TRP 80 2HZ TRP 80 -8.498 11.538 -1.690 653 HZ3 TRP 80 3HZ TRP 80 -8.182 7.650 0.026 654 HH2 TRP 80 2HH TRP 80 -9.487 9.367 -1.110 655 H ALA 81 HN ALA 81 -4.293 8.390 2.959 656 HA ALA 81 HA ALA 81 -6.775 9.574 3.539 657 HB1 ALA 81 1HB ALA 81 -5.577 7.082 4.751 658 HB2 ALA 81 2HB ALA 81 -6.469 7.156 3.232 659 HB3 ALA 81 3HB ALA 81 -7.284 7.524 4.753 660 H THR 82 HN THR 82 -3.954 8.962 5.595 661 HA THR 82 HA THR 82 -5.145 9.747 8.025 662 HB THR 82 HB THR 82 -2.212 9.904 7.284 663 HG1 THR 82 1HG THR 82 -2.806 7.799 6.987 664 HG21 THR 82 3HG2 THR 82 -1.856 9.596 9.711 665 HG22 THR 82 1HG2 THR 82 -3.598 9.695 9.967 666 HG23 THR 82 2HG2 THR 82 -2.715 11.093 9.354 667 H VAL 83 HN VAL 83 -3.265 11.581 5.615 668 HA VAL 83 HA VAL 83 -3.336 14.037 7.042 669 HB VAL 83 HB VAL 83 -2.932 13.519 4.091 670 HG11 VAL 83 1HG1 VAL 83 -1.975 15.782 4.002 671 HG12 VAL 83 2HG1 VAL 83 -2.456 16.040 5.680 672 HG13 VAL 83 3HG1 VAL 83 -3.684 15.805 4.437 673 HG21 VAL 83 3HG2 VAL 83 -1.219 12.502 5.470 674 HG22 VAL 83 1HG2 VAL 83 -0.971 14.026 6.325 675 HG23 VAL 83 2HG2 VAL 83 -0.556 13.894 4.616 676 H ARG 84 HN ARG 84 -5.419 12.607 4.568 677 HA ARG 84 HA ARG 84 -7.070 14.897 4.214 678 HB2 ARG 84 2HB ARG 84 -7.539 11.980 3.608 679 HB3 ARG 84 1HB ARG 84 -8.665 13.251 3.162 680 HG2 ARG 84 2HG ARG 84 -5.815 12.975 2.226 681 HG3 ARG 84 1HG ARG 84 -7.267 12.635 1.284 682 HD2 ARG 84 2HD ARG 84 -6.605 15.336 2.445 683 HD3 ARG 84 1HD ARG 84 -6.192 14.845 0.804 684 HE ARG 84 HE ARG 84 -8.941 14.423 1.195 685 HH11 ARG 84 1HH1 ARG 84 -6.671 17.090 1.034 686 HH12 ARG 84 2HH1 ARG 84 -7.821 18.195 0.337 687 HH21 ARG 84 1HH2 ARG 84 -10.468 15.888 0.307 688 HH22 ARG 84 2HH2 ARG 84 -9.968 17.503 -0.092 689 H GLY 85 HN GLY 85 -6.876 12.573 6.691 690 HA2 GLY 85 2HA GLY 85 -7.925 12.843 8.772 691 HA3 GLY 85 1HA GLY 85 -9.141 13.852 8.006 692 H TYR 86 HN TYR 86 -8.203 10.707 6.776 693 HA TYR 86 HA TYR 86 -10.907 9.738 7.144 694 HB2 TYR 86 2HB TYR 86 -8.484 8.735 5.707 695 HB3 TYR 86 1HB TYR 86 -9.754 7.591 6.129 696 HD1 TYR 86 2HD TYR 86 -11.956 7.746 5.125 697 HD2 TYR 86 1HD TYR 86 -8.861 10.447 4.017 698 HE1 TYR 86 2HE TYR 86 -13.252 8.405 3.146 699 HE2 TYR 86 1HE TYR 86 -10.153 11.119 2.033 700 HH TYR 86 HH TYR 86 -13.423 10.343 1.628 701 H ARG 87 HN ARG 87 -8.004 9.668 8.879 702 HA ARG 87 HA ARG 87 -9.196 8.161 10.982 703 HB2 ARG 87 2HB ARG 87 -7.775 6.266 11.045 704 HB3 ARG 87 1HB ARG 87 -8.357 6.372 9.391 705 HG2 ARG 87 2HG ARG 87 -6.230 7.417 8.731 706 HG3 ARG 87 1HG ARG 87 -5.645 7.229 10.386 707 HD2 ARG 87 2HD ARG 87 -6.398 4.717 9.947 708 HD3 ARG 87 1HD ARG 87 -6.088 5.189 8.277 709 HE ARG 87 HE ARG 87 -3.860 6.013 9.578 710 HH11 ARG 87 1HH1 ARG 87 -5.551 2.957 9.330 711 HH12 ARG 87 2HH1 ARG 87 -4.156 1.999 9.730 712 HH21 ARG 87 1HH2 ARG 87 -2.014 4.745 10.111 713 HH22 ARG 87 2HH2 ARG 87 -2.162 3.017 10.170 714 H GLU 88 HN GLU 88 -7.669 8.003 12.867 715 HA GLU 88 HA GLU 88 -6.030 10.422 12.949 716 HB2 GLU 88 2HB GLU 88 -6.979 8.616 15.179 717 HB3 GLU 88 1HB GLU 88 -6.095 10.120 15.391 718 HG2 GLU 88 2HG GLU 88 -8.841 9.830 14.197 719 HG3 GLU 88 1HG GLU 88 -8.462 10.419 15.816 720 H GLY 89 HN GLY 89 -4.090 10.167 14.543 721 HA2 GLY 89 2HA GLY 89 -2.225 8.995 15.296 722 HA3 GLY 89 1HA GLY 89 -2.808 7.569 14.452 723 H ASP 90 HN ASP 90 -1.445 6.944 12.966 724 HA ASP 90 HA ASP 90 -0.371 8.761 10.996 725 HB2 ASP 90 2HB ASP 90 1.163 8.707 13.143 726 HB3 ASP 90 1HB ASP 90 1.653 7.137 12.517 727 H ASN 91 HN ASN 91 1.102 7.307 9.434 728 HA ASN 91 HA ASN 91 -0.425 4.874 9.044 729 HB2 ASN 91 2HB ASN 91 0.606 4.829 6.833 730 HB3 ASN 91 1HB ASN 91 -0.168 6.367 7.134 731 HD21 ASN 91 1HD2 ASN 91 1.889 5.660 5.218 732 HD22 ASN 91 2HD2 ASN 91 3.230 6.692 5.554 733 HA PRO 92 HA PRO 92 2.784 2.381 10.656 734 HB2 PRO 92 2HB PRO 92 1.803 -0.024 10.037 735 HB3 PRO 92 1HB PRO 92 0.964 1.052 11.159 736 HG2 PRO 92 2HG PRO 92 0.345 0.420 8.319 737 HG3 PRO 92 1HG PRO 92 -0.759 0.768 9.658 738 HD2 PRO 92 2HD PRO 92 0.081 2.566 7.671 739 HD3 PRO 92 1HD PRO 92 -0.761 2.979 9.175 740 H ALA 93 HN ALA 93 2.615 2.987 7.454 741 HA ALA 93 HA ALA 93 4.247 0.829 6.461 742 HB1 ALA 93 1HB ALA 93 3.490 3.447 5.166 743 HB2 ALA 93 2HB ALA 93 2.619 1.920 5.000 744 HB3 ALA 93 3HB ALA 93 4.256 2.078 4.362 745 H ARG 94 HN ARG 94 4.806 3.655 8.192 746 HA ARG 94 HA ARG 94 7.491 4.076 7.192 747 HB2 ARG 94 2HB ARG 94 5.979 5.344 9.472 748 HB3 ARG 94 1HB ARG 94 7.592 5.807 8.971 749 HG2 ARG 94 2HG ARG 94 6.784 6.573 6.848 750 HG3 ARG 94 1HG ARG 94 5.167 5.960 7.197 751 HD2 ARG 94 2HD ARG 94 4.831 7.572 8.907 752 HD3 ARG 94 1HD ARG 94 6.533 8.033 8.899 753 HE ARG 94 HE ARG 94 5.908 8.728 6.449 754 HH11 ARG 94 1HH1 ARG 94 3.850 9.050 9.270 755 HH12 ARG 94 2HH1 ARG 94 3.171 10.559 8.745 756 HH21 ARG 94 1HH2 ARG 94 5.017 10.690 5.766 757 HH22 ARG 94 2HH2 ARG 94 3.797 11.475 6.725 758 H TRP 95 HN TRP 95 9.223 3.136 8.007 759 HA TRP 95 HA TRP 95 8.962 1.691 10.553 760 HB2 TRP 95 2HB TRP 95 10.130 0.861 7.954 761 HB3 TRP 95 1HB TRP 95 10.942 0.313 9.419 762 HD1 TRP 95 1HD TRP 95 9.108 -0.858 11.272 763 HE1 TRP 95 1HE TRP 95 7.307 -2.619 10.743 764 HE3 TRP 95 3HE TRP 95 8.655 -0.045 6.242 765 HZ2 TRP 95 2HZ TRP 95 5.886 -3.538 8.477 766 HZ3 TRP 95 3HZ TRP 95 7.050 -1.409 4.967 767 HH2 TRP 95 2HH TRP 95 5.695 -3.118 6.063 768 H ARG 96 HN ARG 96 10.074 2.581 12.098 769 HA ARG 96 HA ARG 96 12.238 4.377 11.659 770 HB2 ARG 96 2HB ARG 96 12.429 4.299 14.161 771 HB3 ARG 96 1HB ARG 96 10.839 4.741 13.562 772 HG2 ARG 96 2HG ARG 96 10.094 2.407 13.940 773 HG3 ARG 96 1HG ARG 96 11.672 2.052 14.642 774 HD2 ARG 96 2HD ARG 96 11.298 3.678 16.390 775 HD3 ARG 96 1HD ARG 96 9.768 4.157 15.657 776 HE ARG 96 HE ARG 96 9.785 1.368 16.237 777 HH11 ARG 96 1HH1 ARG 96 9.476 4.519 17.742 778 HH12 ARG 96 2HH1 ARG 96 8.525 3.931 19.073 779 HH21 ARG 96 1HH2 ARG 96 8.523 0.586 18.001 780 HH22 ARG 96 2HH2 ARG 96 7.980 1.706 19.221 781 H GLY 97 HN GLY 97 11.986 1.023 12.629 782 HA2 GLY 97 2HA GLY 97 14.919 0.812 12.379 783 HA3 GLY 97 1HA GLY 97 13.995 -0.115 13.556 784 H TYR 98 HN TYR 98 11.849 -0.372 11.412 785 HA TYR 98 HA TYR 98 11.152 -1.888 9.886 786 HB2 TYR 98 2HB TYR 98 12.919 -0.824 8.502 787 HB3 TYR 98 1HB TYR 98 14.068 -2.013 9.091 788 HD1 TYR 98 2HD TYR 98 10.645 -2.059 7.558 789 HD2 TYR 98 1HD TYR 98 14.583 -3.673 7.587 790 HE1 TYR 98 2HE TYR 98 10.038 -3.560 5.705 791 HE2 TYR 98 1HE TYR 98 13.988 -5.173 5.733 792 HH TYR 98 HH TYR 98 12.027 -6.165 4.716 793 H LEU 99 HN LEU 99 11.600 -4.287 9.143 794 HA LEU 99 HA LEU 99 11.643 -5.914 11.438 795 HB2 LEU 99 2HB LEU 99 12.064 -6.721 8.557 796 HB3 LEU 99 1HB LEU 99 11.640 -7.801 9.873 797 HG LEU 99 HG LEU 99 9.897 -5.551 8.855 798 HD11 LEU 99 1HD1 LEU 99 10.108 -7.311 7.196 799 HD12 LEU 99 2HD1 LEU 99 8.504 -7.346 7.928 800 HD13 LEU 99 3HD1 LEU 99 9.720 -8.528 8.412 801 HD21 LEU 99 3HD2 LEU 99 8.169 -6.584 10.237 802 HD22 LEU 99 1HD2 LEU 99 9.539 -6.063 11.217 803 HD23 LEU 99 2HD2 LEU 99 9.335 -7.770 10.823 804 H GLU 100 HN GLU 100 14.103 -4.934 9.192 805 HA GLU 100 HA GLU 100 16.113 -6.715 10.297 806 HB2 GLU 100 2HB GLU 100 15.845 -5.896 7.823 807 HB3 GLU 100 1HB GLU 100 16.645 -4.444 8.403 808 HG2 GLU 100 2HG GLU 100 18.472 -6.000 9.262 809 HG3 GLU 100 1HG GLU 100 17.721 -7.235 8.251 810 H HIS 101 HN HIS 101 18.237 -4.647 10.013 811 HA HIS 101 HA HIS 101 17.488 -2.747 12.108 812 HB2 HIS 101 2HB HIS 101 18.608 -4.585 13.277 813 HB3 HIS 101 1HB HIS 101 19.983 -4.461 12.186 814 HD1 HIS 101 1HD HIS 101 21.878 -3.216 13.127 815 HD2 HIS 101 2HD HIS 101 18.252 -1.933 14.722 816 HE1 HIS 101 1HE HIS 101 22.466 -1.445 14.814 817 HE2 HIS 101 2HE HIS 101 20.270 -0.759 15.845 818 H HIS 102 HN HIS 102 17.384 -1.343 10.271 819 HA HIS 102 HA HIS 102 18.156 0.316 8.935 820 HB2 HIS 102 2HB HIS 102 19.098 0.975 11.189 821 HB3 HIS 102 1HB HIS 102 20.626 0.271 10.678 822 HD1 HIS 102 1HD HIS 102 18.454 3.248 10.242 823 HD2 HIS 102 2HD HIS 102 22.007 1.741 8.689 824 HE1 HIS 102 1HE HIS 102 19.521 5.162 9.004 825 HE2 HIS 102 2HE HIS 102 21.568 4.170 7.911 826 H HIS 103 HN HIS 103 18.339 -1.081 7.104 827 HA HIS 103 HA HIS 103 20.713 -2.568 6.597 828 HB2 HIS 103 2HB HIS 103 18.369 -3.045 5.686 829 HB3 HIS 103 1HB HIS 103 18.688 -1.777 4.507 830 HD1 HIS 103 1HD HIS 103 19.364 -2.761 2.348 831 HD2 HIS 103 2HD HIS 103 20.792 -4.983 5.565 832 HE1 HIS 103 1HE HIS 103 20.629 -4.693 1.340 833 HE2 HIS 103 2HE HIS 103 21.284 -6.135 3.303 834 H HIS 104 HN HIS 104 22.574 -1.625 6.235 835 HA HIS 104 HA HIS 104 22.699 0.784 4.545 836 HB2 HIS 104 2HB HIS 104 23.672 0.901 6.849 837 HB3 HIS 104 1HB HIS 104 24.800 -0.371 6.407 838 HD1 HIS 104 1HD HIS 104 26.933 0.322 5.264 839 HD2 HIS 104 2HD HIS 104 24.126 3.398 5.453 840 HE1 HIS 104 1HE HIS 104 28.132 2.393 4.495 841 HE2 HIS 104 2HE HIS 104 26.456 4.260 4.727 842 H HIS 105 HN HIS 105 22.440 -2.104 3.729 843 HA HIS 105 HA HIS 105 23.362 -3.737 2.447 844 HB2 HIS 105 2HB HIS 105 25.119 -1.444 1.534 845 HB3 HIS 105 1HB HIS 105 25.279 -3.074 0.897 846 HD1 HIS 105 1HD HIS 105 24.738 -1.726 -1.397 847 HD2 HIS 105 2HD HIS 105 21.601 -2.206 1.296 848 HE1 HIS 105 1HE HIS 105 22.636 -1.315 -2.719 849 HE2 HIS 105 2HE HIS 105 20.750 -1.790 -1.113 850 H HIS 106 HN HIS 106 26.450 -2.141 2.710 851 HA HIS 106 HA HIS 106 27.144 -3.342 5.223 852 HB2 HIS 106 2HB HIS 106 28.390 -4.307 2.656 853 HB3 HIS 106 1HB HIS 106 29.314 -4.303 4.153 854 HD1 HIS 106 1HD HIS 106 27.549 -6.585 2.207 855 HD2 HIS 106 2HD HIS 106 27.479 -5.678 6.265 856 HE1 HIS 106 1HE HIS 106 26.550 -8.594 3.333 857 HE2 HIS 106 2HE HIS 106 26.273 -7.906 5.744 Start of MODEL 15 1 H1 MET 1 H1 MET 1 -14.570 2.841 6.261 2 H2 MET 1 H2 MET 1 -15.589 1.677 5.567 3 H3 MET 1 H3 MET 1 -15.927 3.327 5.367 4 HA MET 1 HA MET 1 -15.004 2.527 3.354 5 HB2 MET 1 2HB MET 1 -14.289 4.775 4.134 6 HB3 MET 1 1HB MET 1 -12.903 4.043 4.932 7 HG2 MET 1 2HG MET 1 -12.113 4.923 2.885 8 HG3 MET 1 1HG MET 1 -12.198 3.176 2.688 9 HE1 MET 1 2HE MET 1 -13.947 6.606 1.871 10 HE2 MET 1 3HE MET 1 -15.215 5.697 2.689 11 HE3 MET 1 1HE MET 1 -15.367 6.068 0.972 12 H THR 2 HN THR 2 -13.998 0.848 2.429 13 HA THR 2 HA THR 2 -12.176 -0.728 4.080 14 HB THR 2 HB THR 2 -12.307 -2.419 2.272 15 HG1 THR 2 1HG THR 2 -14.347 -0.783 1.144 16 HG21 THR 2 3HG2 THR 2 -14.970 -1.437 3.302 17 HG22 THR 2 1HG2 THR 2 -13.867 -2.531 4.135 18 HG23 THR 2 2HG2 THR 2 -14.657 -3.043 2.643 19 H PHE 3 HN PHE 3 -10.253 -1.710 2.875 20 HA PHE 3 HA PHE 3 -8.549 0.430 2.165 21 HB2 PHE 3 2HB PHE 3 -7.767 -1.652 3.256 22 HB3 PHE 3 1HB PHE 3 -8.111 -2.543 1.778 23 HD1 PHE 3 1HD PHE 3 -6.061 0.247 3.121 24 HD2 PHE 3 2HD PHE 3 -6.487 -2.748 0.128 25 HE1 PHE 3 1HE PHE 3 -3.792 0.743 2.307 26 HE2 PHE 3 2HE PHE 3 -4.223 -2.256 -0.692 27 HZ PHE 3 HZ PHE 3 -2.870 -0.514 0.396 28 H SER 4 HN SER 4 -10.229 -2.028 0.266 29 HA SER 4 HA SER 4 -9.039 -1.410 -2.216 30 HB2 SER 4 2HB SER 4 -10.337 -3.492 -1.732 31 HB3 SER 4 1HB SER 4 -11.812 -2.530 -1.734 32 HG SER 4 HG SER 4 -10.718 -3.669 -3.789 33 H GLU 5 HN GLU 5 -11.932 -0.180 -0.590 34 HA GLU 5 HA GLU 5 -12.835 1.490 -2.677 35 HB2 GLU 5 2HB GLU 5 -13.211 1.623 0.315 36 HB3 GLU 5 1HB GLU 5 -14.018 2.695 -0.811 37 HG2 GLU 5 2HG GLU 5 -15.137 0.825 -1.847 38 HG3 GLU 5 1HG GLU 5 -14.282 -0.291 -0.780 39 H CYS 6 HN CYS 6 -10.845 2.126 0.185 40 HA CYS 6 HA CYS 6 -10.498 4.883 -0.212 41 HB2 CYS 6 2HB CYS 6 -9.974 3.505 1.864 42 HB3 CYS 6 1HB CYS 6 -8.476 3.050 1.080 43 HG CYS 6 HG CYS 6 -7.823 5.893 0.754 44 H ALA 7 HN ALA 7 -8.495 2.129 -1.156 45 HA ALA 7 HA ALA 7 -6.452 3.539 -2.447 46 HB1 ALA 7 1HB ALA 7 -6.302 1.152 -1.920 47 HB2 ALA 7 2HB ALA 7 -5.961 1.460 -3.625 48 HB3 ALA 7 3HB ALA 7 -7.526 0.807 -3.141 49 H ALA 8 HN ALA 8 -9.489 2.230 -3.755 50 HA ALA 8 HA ALA 8 -9.072 3.021 -6.422 51 HB1 ALA 8 1HB ALA 8 -10.758 1.378 -5.760 52 HB2 ALA 8 2HB ALA 8 -11.465 2.677 -6.719 53 HB3 ALA 8 3HB ALA 8 -11.689 2.649 -4.970 54 H LEU 9 HN LEU 9 -10.306 4.752 -3.629 55 HA LEU 9 HA LEU 9 -11.223 7.029 -5.094 56 HB2 LEU 9 2HB LEU 9 -10.481 6.684 -2.192 57 HB3 LEU 9 1HB LEU 9 -11.165 8.155 -2.854 58 HG LEU 9 HG LEU 9 -12.509 5.455 -2.768 59 HD11 LEU 9 1HD1 LEU 9 -13.074 8.016 -1.284 60 HD12 LEU 9 2HD1 LEU 9 -12.385 6.545 -0.597 61 HD13 LEU 9 3HD1 LEU 9 -14.038 6.541 -1.209 62 HD21 LEU 9 3HD2 LEU 9 -14.467 6.593 -3.649 63 HD22 LEU 9 1HD2 LEU 9 -13.118 6.719 -4.780 64 HD23 LEU 9 2HD2 LEU 9 -13.558 8.099 -3.774 65 H TYR 10 HN TYR 10 -8.257 6.245 -3.327 66 HA TYR 10 HA TYR 10 -6.869 8.635 -3.654 67 HB2 TYR 10 2HB TYR 10 -5.986 6.942 -2.205 68 HB3 TYR 10 1HB TYR 10 -5.897 5.776 -3.516 69 HD1 TYR 10 2HD TYR 10 -4.552 9.161 -2.640 70 HD2 TYR 10 1HD TYR 10 -3.851 5.392 -4.475 71 HE1 TYR 10 2HE TYR 10 -2.229 9.823 -3.099 72 HE2 TYR 10 1HE TYR 10 -1.526 6.039 -4.934 73 HH TYR 10 HH TYR 10 -0.174 8.006 -5.170 74 H ILE 11 HN ILE 11 -6.945 5.776 -5.710 75 HA ILE 11 HA ILE 11 -5.187 6.648 -7.692 76 HB ILE 11 HB ILE 11 -7.538 4.761 -7.934 77 HG12 ILE 11 2HG1 ILE 11 -4.584 4.203 -7.580 78 HG13 ILE 11 1HG1 ILE 11 -5.762 4.181 -6.274 79 HG21 ILE 11 1HG2 ILE 11 -6.888 5.573 -10.136 80 HG22 ILE 11 2HG2 ILE 11 -6.410 3.886 -9.935 81 HG23 ILE 11 3HG2 ILE 11 -5.204 5.166 -9.806 82 HD11 ILE 11 3HD1 ILE 11 -5.757 2.372 -8.672 83 HD12 ILE 11 1HD1 ILE 11 -6.946 2.357 -7.369 84 HD13 ILE 11 2HD1 ILE 11 -5.265 1.941 -7.035 85 H LYS 12 HN LYS 12 -8.687 7.152 -7.384 86 HA LYS 12 HA LYS 12 -8.980 8.437 -9.917 87 HB2 LYS 12 2HB LYS 12 -10.720 8.520 -7.447 88 HB3 LYS 12 1HB LYS 12 -11.164 9.221 -8.995 89 HG2 LYS 12 2HG LYS 12 -11.123 7.029 -10.031 90 HG3 LYS 12 1HG LYS 12 -10.609 6.303 -8.506 91 HD2 LYS 12 2HD LYS 12 -12.689 7.074 -7.455 92 HD3 LYS 12 1HD LYS 12 -13.203 7.760 -8.995 93 HE2 LYS 12 2HE LYS 12 -14.247 5.582 -8.572 94 HE3 LYS 12 1HE LYS 12 -13.215 5.548 -10.002 95 HZ1 LYS 12 3HZ LYS 12 -11.716 4.183 -9.010 96 HZ2 LYS 12 1HZ LYS 12 -13.107 3.682 -8.169 97 HZ3 LYS 12 2HZ LYS 12 -12.023 4.770 -7.449 98 H ALA 13 HN ALA 13 -8.565 9.643 -6.609 99 HA ALA 13 HA ALA 13 -8.896 12.380 -7.299 100 HB1 ALA 13 1HB ALA 13 -9.277 11.553 -5.034 101 HB2 ALA 13 2HB ALA 13 -8.077 12.845 -5.047 102 HB3 ALA 13 3HB ALA 13 -7.563 11.167 -4.883 103 H HIS 14 HN HIS 14 -6.174 10.222 -7.312 104 HA HIS 14 HA HIS 14 -4.337 12.490 -7.707 105 HB2 HIS 14 2HB HIS 14 -4.075 10.507 -5.927 106 HB3 HIS 14 1HB HIS 14 -3.329 9.713 -7.305 107 HD1 HIS 14 1HD HIS 14 -1.128 10.841 -8.257 108 HD2 HIS 14 2HD HIS 14 -2.526 12.376 -4.655 109 HE1 HIS 14 1HE HIS 14 0.785 12.162 -7.294 110 HE2 HIS 14 2HE HIS 14 -0.012 12.881 -5.012 111 H ARG 15 HN ARG 15 -6.173 10.670 -9.596 112 HA ARG 15 HA ARG 15 -4.360 9.358 -11.333 113 HB2 ARG 15 2HB ARG 15 -6.204 8.940 -12.781 114 HB3 ARG 15 1HB ARG 15 -6.825 8.832 -11.141 115 HG2 ARG 15 2HG ARG 15 -7.842 10.993 -11.322 116 HG3 ARG 15 1HG ARG 15 -7.079 11.268 -12.884 117 HD2 ARG 15 2HD ARG 15 -8.394 8.922 -13.320 118 HD3 ARG 15 1HD ARG 15 -9.486 9.743 -12.204 119 HE ARG 15 HE ARG 15 -8.515 11.043 -14.672 120 HH11 ARG 15 1HH1 ARG 15 -11.159 10.037 -12.586 121 HH12 ARG 15 2HH1 ARG 15 -12.368 10.880 -13.507 122 HH21 ARG 15 1HH2 ARG 15 -10.100 12.104 -15.904 123 HH22 ARG 15 2HH2 ARG 15 -11.761 12.082 -15.387 124 H SER 16 HN SER 16 -5.784 12.569 -11.331 125 HA SER 16 HA SER 16 -5.060 13.283 -13.949 126 HB2 SER 16 2HB SER 16 -5.400 15.158 -11.614 127 HB3 SER 16 1HB SER 16 -5.763 15.450 -13.312 128 HG SER 16 HG SER 16 -7.719 14.918 -12.660 129 H SER 17 HN SER 17 -3.369 13.300 -10.911 130 HA SER 17 HA SER 17 -1.222 14.986 -11.685 131 HB2 SER 17 2HB SER 17 -1.815 14.526 -9.320 132 HB3 SER 17 1HB SER 17 -1.305 12.853 -9.530 133 HG SER 17 HG SER 17 0.352 15.147 -9.849 134 H TRP 18 HN TRP 18 -1.851 11.543 -11.984 135 HA TRP 18 HA TRP 18 0.882 11.005 -12.848 136 HB2 TRP 18 2HB TRP 18 -1.490 9.134 -12.796 137 HB3 TRP 18 1HB TRP 18 0.190 8.684 -13.031 138 HD1 TRP 18 1HD TRP 18 1.418 10.316 -10.550 139 HE1 TRP 18 1HE TRP 18 0.984 9.416 -8.164 140 HE3 TRP 18 3HE TRP 18 -2.715 7.475 -11.515 141 HZ2 TRP 18 2HZ TRP 18 -0.882 7.726 -6.883 142 HZ3 TRP 18 3HZ TRP 18 -3.764 6.241 -9.665 143 HH2 TRP 18 2HH TRP 18 -2.864 6.366 -7.395 144 H LYS 19 HN LYS 19 -2.326 11.399 -14.174 145 HA LYS 19 HA LYS 19 -3.344 10.822 -16.104 146 HB2 LYS 19 2HB LYS 19 -1.121 12.043 -17.029 147 HB3 LYS 19 1HB LYS 19 -0.822 10.417 -17.631 148 HG2 LYS 19 2HG LYS 19 -2.802 10.431 -18.928 149 HG3 LYS 19 1HG LYS 19 -3.388 11.895 -18.136 150 HD2 LYS 19 2HD LYS 19 -1.349 13.063 -19.079 151 HD3 LYS 19 1HD LYS 19 -1.095 11.618 -20.063 152 HE2 LYS 19 2HE LYS 19 -2.303 13.298 -21.330 153 HE3 LYS 19 1HE LYS 19 -3.333 11.901 -21.032 154 HZ1 LYS 19 3HZ LYS 19 -4.532 13.063 -19.391 155 HZ2 LYS 19 1HZ LYS 19 -4.386 14.141 -20.691 156 HZ3 LYS 19 2HZ LYS 19 -3.404 14.326 -19.326 157 H ASN 20 HN ASN 20 -3.411 7.565 -15.358 158 HA ASN 20 HA ASN 20 -5.498 8.107 -15.967 159 HB2 ASN 20 2HB ASN 20 -4.739 10.558 -15.414 160 HB3 ASN 20 1HB ASN 20 -4.647 10.738 -17.157 161 HD21 ASN 20 1HD2 ASN 20 -6.913 9.177 -17.863 162 HD22 ASN 20 2HD2 ASN 20 -8.319 10.032 -17.312 163 H THR 21 HN THR 21 -2.921 7.494 -17.648 164 HA THR 21 HA THR 21 -4.457 6.962 -20.094 165 HB THR 21 HB THR 21 -2.147 6.283 -20.988 166 HG1 THR 21 1HG THR 21 -0.391 6.864 -19.864 167 HG21 THR 21 3HG2 THR 21 -1.547 8.599 -21.551 168 HG22 THR 21 1HG2 THR 21 -2.638 9.187 -20.296 169 HG23 THR 21 2HG2 THR 21 -3.283 8.335 -21.699 170 H LYS 22 HN LYS 22 -1.619 5.215 -18.945 171 HA LYS 22 HA LYS 22 -3.290 2.842 -18.454 172 HB2 LYS 22 2HB LYS 22 -0.328 3.073 -19.022 173 HB3 LYS 22 1HB LYS 22 -1.146 1.574 -18.631 174 HG2 LYS 22 2HG LYS 22 -2.564 1.923 -20.665 175 HG3 LYS 22 1HG LYS 22 -1.506 3.275 -21.078 176 HD2 LYS 22 2HD LYS 22 -0.664 0.398 -20.704 177 HD3 LYS 22 1HD LYS 22 -0.811 1.247 -22.244 178 HE2 LYS 22 2HE LYS 22 0.988 2.728 -21.666 179 HE3 LYS 22 1HE LYS 22 1.046 2.089 -20.024 180 HZ1 LYS 22 3HZ LYS 22 1.765 0.637 -22.518 181 HZ2 LYS 22 1HZ LYS 22 1.695 -0.075 -20.980 182 HZ3 LYS 22 2HZ LYS 22 2.822 1.146 -21.300 183 H HIS 23 HN HIS 23 -1.360 5.230 -16.996 184 HA HIS 23 HA HIS 23 -0.034 3.875 -14.967 185 HB2 HIS 23 2HB HIS 23 -1.098 6.690 -15.052 186 HB3 HIS 23 1HB HIS 23 -0.157 6.078 -13.698 187 HD1 HIS 23 1HD HIS 23 2.275 6.455 -13.872 188 HD2 HIS 23 2HD HIS 23 0.428 6.472 -17.598 189 HE1 HIS 23 1HE HIS 23 4.080 7.049 -15.525 190 HE2 HIS 23 2HE HIS 23 2.969 6.908 -17.788 191 H ALA 24 HN ALA 24 -3.371 4.948 -15.060 192 HA ALA 24 HA ALA 24 -3.920 4.677 -12.296 193 HB1 ALA 24 1HB ALA 24 -6.284 4.687 -12.969 194 HB2 ALA 24 2HB ALA 24 -5.802 4.497 -14.656 195 HB3 ALA 24 3HB ALA 24 -5.371 5.965 -13.774 196 H ASP 25 HN ASP 25 -4.133 2.442 -15.033 197 HA ASP 25 HA ASP 25 -5.344 0.339 -13.518 198 HB2 ASP 25 2HB ASP 25 -5.385 0.645 -16.076 199 HB3 ASP 25 1HB ASP 25 -3.776 -0.057 -16.067 200 H GLN 26 HN GLN 26 -2.082 1.254 -14.429 201 HA GLN 26 HA GLN 26 -0.681 -1.001 -13.594 202 HB2 GLN 26 2HB GLN 26 0.089 1.916 -13.619 203 HB3 GLN 26 1HB GLN 26 1.220 0.616 -13.295 204 HG2 GLN 26 2HG GLN 26 -0.390 0.782 -15.820 205 HG3 GLN 26 1HG GLN 26 1.202 1.518 -15.643 206 HE21 GLN 26 1HE2 GLN 26 2.052 0.200 -17.265 207 HE22 GLN 26 2HE2 GLN 26 2.382 -1.477 -17.003 208 H TRP 27 HN TRP 27 -1.688 1.862 -11.763 209 HA TRP 27 HA TRP 27 -0.553 0.982 -9.302 210 HB2 TRP 27 2HB TRP 27 -2.369 3.165 -10.167 211 HB3 TRP 27 1HB TRP 27 -2.434 2.704 -8.469 212 HD1 TRP 27 1HD TRP 27 0.159 3.929 -11.081 213 HE1 TRP 27 1HE TRP 27 2.008 5.216 -9.822 214 HE3 TRP 27 3HE TRP 27 -1.428 3.125 -6.288 215 HZ2 TRP 27 2HZ TRP 27 2.690 5.808 -7.150 216 HZ3 TRP 27 3HZ TRP 27 -0.123 4.086 -4.437 217 HH2 TRP 27 2HH TRP 27 1.892 5.398 -4.857 218 H THR 28 HN THR 28 -3.823 0.873 -10.660 219 HA THR 28 HA THR 28 -5.116 -0.232 -8.435 220 HB THR 28 HB THR 28 -5.837 -0.591 -11.352 221 HG1 THR 28 1HG THR 28 -5.792 1.596 -10.913 222 HG21 THR 28 3HG2 THR 28 -8.126 -0.889 -10.516 223 HG22 THR 28 1HG2 THR 28 -7.530 -0.794 -8.859 224 HG23 THR 28 2HG2 THR 28 -7.043 -2.136 -9.896 225 H ASN 29 HN ASN 29 -3.681 -1.800 -11.278 226 HA ASN 29 HA ASN 29 -4.726 -4.344 -10.926 227 HB2 ASN 29 2HB ASN 29 -3.456 -3.386 -12.920 228 HB3 ASN 29 1HB ASN 29 -1.978 -3.772 -12.050 229 HD21 ASN 29 1HD2 ASN 29 -4.647 -4.973 -13.842 230 HD22 ASN 29 2HD2 ASN 29 -4.105 -6.603 -13.981 231 H THR 30 HN THR 30 -1.570 -3.128 -9.830 232 HA THR 30 HA THR 30 -0.659 -5.516 -8.689 233 HB THR 30 HB THR 30 0.034 -2.756 -7.702 234 HG1 THR 30 1HG THR 30 1.070 -4.157 -9.974 235 HG21 THR 30 3HG2 THR 30 1.647 -5.299 -7.905 236 HG22 THR 30 1HG2 THR 30 0.979 -4.618 -6.422 237 HG23 THR 30 2HG2 THR 30 2.237 -3.750 -7.303 238 H ILE 31 HN ILE 31 -2.216 -2.708 -7.149 239 HA ILE 31 HA ILE 31 -2.129 -3.797 -4.542 240 HB ILE 31 HB ILE 31 -3.903 -1.602 -5.626 241 HG12 ILE 31 2HG1 ILE 31 -1.246 -1.451 -4.184 242 HG13 ILE 31 1HG1 ILE 31 -1.483 -1.174 -5.908 243 HG21 ILE 31 1HG2 ILE 31 -4.776 -2.475 -3.541 244 HG22 ILE 31 2HG2 ILE 31 -4.076 -0.879 -3.281 245 HG23 ILE 31 3HG2 ILE 31 -3.192 -2.319 -2.783 246 HD11 ILE 31 3HD1 ILE 31 -2.632 0.482 -3.668 247 HD12 ILE 31 1HD1 ILE 31 -2.891 0.758 -5.391 248 HD13 ILE 31 2HD1 ILE 31 -1.275 0.919 -4.707 249 H LYS 32 HN LYS 32 -4.638 -3.695 -7.026 250 HA LYS 32 HA LYS 32 -6.715 -4.764 -5.450 251 HB2 LYS 32 2HB LYS 32 -6.801 -3.624 -7.791 252 HB3 LYS 32 1HB LYS 32 -6.475 -5.235 -8.410 253 HG2 LYS 32 2HG LYS 32 -8.480 -6.091 -7.383 254 HG3 LYS 32 1HG LYS 32 -8.803 -4.523 -6.641 255 HD2 LYS 32 2HD LYS 32 -9.018 -3.521 -8.869 256 HD3 LYS 32 1HD LYS 32 -8.709 -5.097 -9.602 257 HE2 LYS 32 2HE LYS 32 -11.016 -4.434 -7.773 258 HE3 LYS 32 1HE LYS 32 -11.107 -4.563 -9.529 259 HZ1 LYS 32 3HZ LYS 32 -10.527 -6.875 -9.396 260 HZ2 LYS 32 1HZ LYS 32 -11.854 -6.582 -8.382 261 HZ3 LYS 32 2HZ LYS 32 -10.305 -6.783 -7.718 262 H THR 33 HN THR 33 -4.096 -6.220 -7.233 263 HA THR 33 HA THR 33 -5.256 -8.860 -7.162 264 HB THR 33 HB THR 33 -2.514 -7.951 -8.062 265 HG1 THR 33 1HG THR 33 -3.879 -7.152 -9.539 266 HG21 THR 33 3HG2 THR 33 -2.398 -10.120 -9.207 267 HG22 THR 33 1HG2 THR 33 -3.940 -10.586 -8.491 268 HG23 THR 33 2HG2 THR 33 -2.532 -10.332 -7.462 269 H TYR 34 HN TYR 34 -2.390 -7.311 -5.661 270 HA TYR 34 HA TYR 34 -1.824 -9.703 -4.162 271 HB2 TYR 34 2HB TYR 34 -0.590 -6.950 -4.098 272 HB3 TYR 34 1HB TYR 34 -0.040 -8.286 -3.093 273 HD1 TYR 34 1HD TYR 34 1.010 -10.275 -4.151 274 HD2 TYR 34 2HD TYR 34 -0.018 -6.825 -6.414 275 HE1 TYR 34 1HE TYR 34 2.479 -11.038 -5.973 276 HE2 TYR 34 2HE TYR 34 1.439 -7.582 -8.239 277 HH TYR 34 HH TYR 34 2.746 -10.727 -8.391 278 H CYS 35 HN CYS 35 -2.987 -6.441 -3.311 279 HA CYS 35 HA CYS 35 -3.202 -7.197 -0.519 280 HB2 CYS 35 2HB CYS 35 -3.994 -4.617 -1.884 281 HB3 CYS 35 1HB CYS 35 -3.860 -4.876 -0.148 282 HG CYS 35 HG CYS 35 -1.462 -4.007 -0.044 283 H GLY 36 HN GLY 36 -5.277 -6.798 -3.269 284 HA2 GLY 36 2HA GLY 36 -7.731 -6.224 -2.180 285 HA3 GLY 36 1HA GLY 36 -7.503 -7.213 -3.610 286 HA PRO 37 HA PRO 37 -8.991 -10.900 -1.788 287 HB2 PRO 37 2HB PRO 37 -6.304 -12.177 -1.724 288 HB3 PRO 37 1HB PRO 37 -7.805 -12.743 -2.464 289 HG2 PRO 37 2HG PRO 37 -5.852 -11.767 -3.972 290 HG3 PRO 37 1HG PRO 37 -7.547 -11.391 -4.336 291 HD2 PRO 37 2HD PRO 37 -5.468 -9.693 -3.019 292 HD3 PRO 37 1HD PRO 37 -6.723 -9.234 -4.188 293 H VAL 38 HN VAL 38 -6.273 -9.458 -0.174 294 HA VAL 38 HA VAL 38 -6.750 -11.101 2.210 295 HB VAL 38 HB VAL 38 -4.480 -9.170 1.732 296 HG11 VAL 38 1HG1 VAL 38 -4.830 -11.353 3.787 297 HG12 VAL 38 2HG1 VAL 38 -4.963 -9.622 4.094 298 HG13 VAL 38 3HG1 VAL 38 -3.416 -10.315 3.604 299 HG21 VAL 38 3HG2 VAL 38 -4.584 -12.162 1.358 300 HG22 VAL 38 1HG2 VAL 38 -3.114 -11.189 1.331 301 HG23 VAL 38 2HG2 VAL 38 -4.350 -10.947 0.099 302 H ILE 39 HN ILE 39 -5.799 -7.681 1.751 303 HA ILE 39 HA ILE 39 -7.471 -7.049 4.089 304 HB ILE 39 HB ILE 39 -6.089 -4.998 4.305 305 HG12 ILE 39 2HG1 ILE 39 -4.418 -6.272 2.130 306 HG13 ILE 39 1HG1 ILE 39 -5.389 -4.816 1.949 307 HG21 ILE 39 1HG2 ILE 39 -4.065 -6.145 5.128 308 HG22 ILE 39 2HG2 ILE 39 -4.598 -7.617 4.318 309 HG23 ILE 39 3HG2 ILE 39 -5.555 -6.940 5.636 310 HD11 ILE 39 3HD1 ILE 39 -3.982 -3.660 3.557 311 HD12 ILE 39 1HD1 ILE 39 -3.025 -4.307 2.225 312 HD13 ILE 39 2HD1 ILE 39 -3.025 -5.125 3.787 313 H GLY 40 HN GLY 40 -7.781 -6.991 0.891 314 HA2 GLY 40 2HA GLY 40 -8.437 -4.414 0.097 315 HA3 GLY 40 1HA GLY 40 -9.159 -5.872 -0.562 316 HA PRO 41 HA PRO 41 -12.996 -4.893 1.391 317 HB2 PRO 41 2HB PRO 41 -13.394 -7.485 2.645 318 HB3 PRO 41 1HB PRO 41 -14.178 -6.814 1.216 319 HG2 PRO 41 2HG PRO 41 -12.436 -8.891 1.101 320 HG3 PRO 41 1HG PRO 41 -12.640 -7.730 -0.222 321 HD2 PRO 41 2HD PRO 41 -10.513 -7.849 1.886 322 HD3 PRO 41 1HD PRO 41 -10.357 -7.518 0.147 323 H LEU 42 HN LEU 42 -10.384 -5.370 3.333 324 HA LEU 42 HA LEU 42 -11.814 -5.229 5.857 325 HB2 LEU 42 2HB LEU 42 -8.870 -5.073 5.205 326 HB3 LEU 42 1HB LEU 42 -9.521 -4.979 6.830 327 HG LEU 42 HG LEU 42 -9.702 -7.356 4.975 328 HD11 LEU 42 1HD1 LEU 42 -8.176 -6.947 7.542 329 HD12 LEU 42 2HD1 LEU 42 -7.478 -7.011 5.922 330 HD13 LEU 42 3HD1 LEU 42 -8.251 -8.440 6.607 331 HD21 LEU 42 3HD2 LEU 42 -10.701 -7.020 7.800 332 HD22 LEU 42 1HD2 LEU 42 -10.710 -8.519 6.873 333 HD23 LEU 42 2HD2 LEU 42 -11.704 -7.155 6.358 334 H SER 43 HN SER 43 -11.621 -3.419 7.288 335 HA SER 43 HA SER 43 -12.132 -0.961 6.025 336 HB2 SER 43 2HB SER 43 -12.974 -1.561 8.281 337 HB3 SER 43 1HB SER 43 -11.334 -1.443 8.905 338 HG SER 43 HG SER 43 -13.121 0.562 8.162 339 H VAL 44 HN VAL 44 -10.901 0.844 5.694 340 HA VAL 44 HA VAL 44 -8.107 0.501 5.368 341 HB VAL 44 HB VAL 44 -9.460 2.079 4.012 342 HG11 VAL 44 1HG1 VAL 44 -10.874 3.003 5.772 343 HG12 VAL 44 2HG1 VAL 44 -10.032 4.283 4.897 344 HG13 VAL 44 3HG1 VAL 44 -9.471 3.792 6.496 345 HG21 VAL 44 3HG2 VAL 44 -7.135 3.321 5.477 346 HG22 VAL 44 1HG2 VAL 44 -7.806 3.897 3.952 347 HG23 VAL 44 2HG2 VAL 44 -7.050 2.306 4.036 348 H GLN 45 HN GLN 45 -10.072 1.476 8.014 349 HA GLN 45 HA GLN 45 -7.964 2.780 9.489 350 HB2 GLN 45 2HB GLN 45 -10.533 3.158 9.662 351 HB3 GLN 45 1HB GLN 45 -10.524 1.722 10.676 352 HG2 GLN 45 2HG GLN 45 -8.780 4.090 11.256 353 HG3 GLN 45 1HG GLN 45 -10.443 3.991 11.820 354 HE21 GLN 45 1HE2 GLN 45 -7.978 4.133 13.338 355 HE22 GLN 45 2HE2 GLN 45 -7.940 2.727 14.348 356 H ASP 46 HN ASP 46 -9.400 -0.410 9.246 357 HA ASP 46 HA ASP 46 -8.128 -1.515 11.532 358 HB2 ASP 46 2HB ASP 46 -9.537 -2.655 9.155 359 HB3 ASP 46 1HB ASP 46 -8.578 -3.721 10.173 360 H VAL 47 HN VAL 47 -7.090 -0.905 8.292 361 HA VAL 47 HA VAL 47 -5.005 -2.722 7.998 362 HB VAL 47 HB VAL 47 -5.062 0.154 7.050 363 HG11 VAL 47 1HG1 VAL 47 -2.809 -0.793 6.984 364 HG12 VAL 47 2HG1 VAL 47 -3.451 -0.584 5.354 365 HG13 VAL 47 3HG1 VAL 47 -3.412 -2.188 6.089 366 HG21 VAL 47 3HG2 VAL 47 -5.877 -0.794 4.933 367 HG22 VAL 47 1HG2 VAL 47 -6.992 -1.112 6.260 368 HG23 VAL 47 2HG2 VAL 47 -5.931 -2.392 5.675 369 H ASP 48 HN ASP 48 -3.439 -3.122 9.361 370 HA ASP 48 HA ASP 48 -2.056 -0.904 10.694 371 HB2 ASP 48 2HB ASP 48 -3.613 -1.849 12.309 372 HB3 ASP 48 1HB ASP 48 -3.026 -3.470 11.982 373 H THR 49 HN THR 49 -0.039 -1.881 11.826 374 HA THR 49 HA THR 49 1.786 -2.443 9.848 375 HB THR 49 HB THR 49 2.286 -3.368 12.652 376 HG1 THR 49 1HG THR 49 1.398 -1.478 13.207 377 HG21 THR 49 3HG2 THR 49 4.465 -2.319 12.260 378 HG22 THR 49 1HG2 THR 49 3.923 -1.776 10.672 379 HG23 THR 49 2HG2 THR 49 4.095 -3.500 11.003 380 H LYS 50 HN LYS 50 0.319 -4.773 12.138 381 HA LYS 50 HA LYS 50 1.916 -6.925 11.224 382 HB2 LYS 50 2HB LYS 50 -0.468 -6.684 13.024 383 HB3 LYS 50 1HB LYS 50 0.190 -8.241 12.582 384 HG2 LYS 50 2HG LYS 50 2.377 -7.548 13.489 385 HG3 LYS 50 1HG LYS 50 1.637 -6.032 14.008 386 HD2 LYS 50 2HD LYS 50 0.730 -8.772 14.886 387 HD3 LYS 50 1HD LYS 50 1.814 -7.732 15.810 388 HE2 LYS 50 2HE LYS 50 0.061 -6.016 15.906 389 HE3 LYS 50 1HE LYS 50 -1.017 -7.080 15.004 390 HZ1 LYS 50 3HZ LYS 50 -1.039 -8.627 16.785 391 HZ2 LYS 50 1HZ LYS 50 -1.344 -7.102 17.457 392 HZ3 LYS 50 2HZ LYS 50 0.188 -7.811 17.616 393 H LEU 51 HN LEU 51 -1.343 -5.778 10.454 394 HA LEU 51 HA LEU 51 -2.164 -7.986 8.925 395 HB2 LEU 51 2HB LEU 51 -2.869 -5.064 8.668 396 HB3 LEU 51 1HB LEU 51 -3.657 -6.341 7.773 397 HG LEU 51 HG LEU 51 -3.747 -5.873 10.741 398 HD11 LEU 51 1HD1 LEU 51 -6.151 -5.693 10.330 399 HD12 LEU 51 2HD1 LEU 51 -5.871 -5.944 8.608 400 HD13 LEU 51 3HD1 LEU 51 -5.243 -4.501 9.402 401 HD21 LEU 51 3HD2 LEU 51 -3.517 -8.277 10.296 402 HD22 LEU 51 1HD2 LEU 51 -4.887 -8.193 9.190 403 HD23 LEU 51 2HD2 LEU 51 -5.123 -7.873 10.906 404 H ILE 52 HN ILE 52 -0.362 -5.066 8.066 405 HA ILE 52 HA ILE 52 -0.116 -5.600 5.310 406 HB ILE 52 HB ILE 52 1.827 -4.115 7.098 407 HG12 ILE 52 2HG1 ILE 52 -0.484 -3.065 5.442 408 HG13 ILE 52 1HG1 ILE 52 -0.478 -3.220 7.196 409 HG21 ILE 52 1HG2 ILE 52 1.448 -4.002 4.104 410 HG22 ILE 52 2HG2 ILE 52 2.813 -4.732 4.952 411 HG23 ILE 52 3HG2 ILE 52 2.547 -2.991 5.045 412 HD11 ILE 52 3HD1 ILE 52 1.378 -1.469 5.601 413 HD12 ILE 52 1HD1 ILE 52 1.296 -1.584 7.359 414 HD13 ILE 52 2HD1 ILE 52 -0.067 -0.926 6.452 415 H MET 53 HN MET 53 1.872 -6.505 8.092 416 HA MET 53 HA MET 53 3.952 -7.763 6.701 417 HB2 MET 53 2HB MET 53 2.848 -8.240 9.466 418 HB3 MET 53 1HB MET 53 4.277 -9.057 8.853 419 HG2 MET 53 2HG MET 53 5.378 -6.895 8.547 420 HG3 MET 53 1HG MET 53 3.944 -6.084 9.172 421 HE1 MET 53 3HE MET 53 5.541 -4.823 10.911 422 HE2 MET 53 1HE MET 53 6.953 -5.711 10.327 423 HE3 MET 53 2HE MET 53 6.595 -5.659 12.052 424 H LYS 54 HN LYS 54 0.831 -9.015 7.825 425 HA LYS 54 HA LYS 54 1.298 -11.722 7.277 426 HB2 LYS 54 2HB LYS 54 -1.301 -10.188 7.204 427 HB3 LYS 54 1HB LYS 54 -1.181 -11.938 7.100 428 HG2 LYS 54 2HG LYS 54 0.089 -11.766 9.332 429 HG3 LYS 54 1HG LYS 54 -0.607 -10.146 9.424 430 HD2 LYS 54 2HD LYS 54 -2.110 -12.755 9.188 431 HD3 LYS 54 1HD LYS 54 -2.029 -11.711 10.607 432 HE2 LYS 54 2HE LYS 54 -3.164 -9.936 9.338 433 HE3 LYS 54 1HE LYS 54 -3.276 -11.011 7.946 434 HZ1 LYS 54 3HZ LYS 54 -4.590 -12.547 9.348 435 HZ2 LYS 54 1HZ LYS 54 -5.341 -11.040 9.133 436 HZ3 LYS 54 2HZ LYS 54 -4.566 -11.402 10.598 437 H VAL 55 HN VAL 55 0.228 -9.101 5.195 438 HA VAL 55 HA VAL 55 -0.370 -10.729 2.937 439 HB VAL 55 HB VAL 55 0.413 -7.807 2.936 440 HG11 VAL 55 1HG1 VAL 55 -0.886 -7.704 0.866 441 HG12 VAL 55 2HG1 VAL 55 -1.171 -9.441 0.962 442 HG13 VAL 55 3HG1 VAL 55 0.467 -8.829 0.733 443 HG21 VAL 55 3HG2 VAL 55 -1.432 -8.156 4.472 444 HG22 VAL 55 1HG2 VAL 55 -2.318 -9.048 3.235 445 HG23 VAL 55 2HG2 VAL 55 -1.993 -7.328 3.020 446 H LEU 56 HN LEU 56 2.454 -8.812 3.901 447 HA LEU 56 HA LEU 56 3.865 -9.340 1.464 448 HB2 LEU 56 2HB LEU 56 4.823 -8.137 4.061 449 HB3 LEU 56 1HB LEU 56 5.718 -8.138 2.552 450 HG LEU 56 HG LEU 56 3.079 -6.747 3.013 451 HD11 LEU 56 1HD1 LEU 56 5.882 -5.664 2.778 452 HD12 LEU 56 2HD1 LEU 56 4.884 -5.683 4.232 453 HD13 LEU 56 3HD1 LEU 56 4.410 -4.693 2.852 454 HD21 LEU 56 3HD2 LEU 56 3.514 -5.721 0.826 455 HD22 LEU 56 1HD2 LEU 56 3.334 -7.472 0.707 456 HD23 LEU 56 2HD2 LEU 56 4.939 -6.743 0.639 457 H ASP 57 HN ASP 57 3.758 -10.830 4.611 458 HA ASP 57 HA ASP 57 6.271 -11.938 4.830 459 HB2 ASP 57 2HB ASP 57 4.071 -12.053 6.342 460 HB3 ASP 57 1HB ASP 57 4.010 -13.666 5.658 461 HA PRO 58 HA PRO 58 4.885 -15.859 2.274 462 HB2 PRO 58 2HB PRO 58 2.650 -14.796 0.681 463 HB3 PRO 58 1HB PRO 58 2.796 -16.344 1.516 464 HG2 PRO 58 2HG PRO 58 1.178 -14.364 2.379 465 HG3 PRO 58 1HG PRO 58 1.961 -15.513 3.477 466 HD2 PRO 58 2HD PRO 58 2.643 -12.668 2.916 467 HD3 PRO 58 1HD PRO 58 2.788 -13.597 4.411 468 H ILE 59 HN ILE 59 4.387 -12.599 1.058 469 HA ILE 59 HA ILE 59 5.119 -13.186 -1.635 470 HB ILE 59 HB ILE 59 4.954 -10.503 -0.251 471 HG12 ILE 59 2HG1 ILE 59 2.923 -12.001 -1.925 472 HG13 ILE 59 1HG1 ILE 59 2.830 -11.735 -0.187 473 HG21 ILE 59 1HG2 ILE 59 6.279 -10.373 -2.281 474 HG22 ILE 59 2HG2 ILE 59 4.716 -9.590 -2.525 475 HG23 ILE 59 3HG2 ILE 59 5.011 -11.198 -3.187 476 HD11 ILE 59 3HD1 ILE 59 1.372 -10.222 -1.409 477 HD12 ILE 59 1HD1 ILE 59 2.756 -9.594 -2.302 478 HD13 ILE 59 2HD1 ILE 59 2.642 -9.339 -0.560 479 H TRP 60 HN TRP 60 6.875 -12.062 1.202 480 HA TRP 60 HA TRP 60 9.186 -11.064 0.040 481 HB2 TRP 60 2HB TRP 60 8.756 -12.548 2.623 482 HB3 TRP 60 1HB TRP 60 10.342 -11.955 2.155 483 HD1 TRP 60 1HD TRP 60 7.772 -10.999 4.378 484 HE1 TRP 60 1HE TRP 60 7.674 -8.457 4.770 485 HE3 TRP 60 3HE TRP 60 10.509 -9.452 0.346 486 HZ2 TRP 60 2HZ TRP 60 8.609 -6.111 3.520 487 HZ3 TRP 60 3HZ TRP 60 10.854 -7.038 0.015 488 HH2 TRP 60 2HH TRP 60 9.923 -5.403 1.572 489 H GLU 61 HN GLU 61 8.133 -14.361 0.212 490 HA GLU 61 HA GLU 61 10.706 -15.539 -0.101 491 HB2 GLU 61 2HB GLU 61 7.959 -16.703 -0.535 492 HB3 GLU 61 1HB GLU 61 9.448 -17.593 -0.327 493 HG2 GLU 61 2HG GLU 61 9.651 -16.698 1.953 494 HG3 GLU 61 1HG GLU 61 8.109 -15.870 1.731 495 H GLN 62 HN GLN 62 8.035 -14.697 -2.265 496 HA GLN 62 HA GLN 62 9.526 -15.846 -4.510 497 HB2 GLN 62 2HB GLN 62 6.607 -15.249 -4.106 498 HB3 GLN 62 1HB GLN 62 7.271 -15.577 -5.694 499 HG2 GLN 62 2HG GLN 62 6.427 -17.619 -4.988 500 HG3 GLN 62 1HG GLN 62 8.154 -17.752 -4.689 501 HE21 GLN 62 1HE2 GLN 62 5.895 -15.939 -2.716 502 HE22 GLN 62 2HE2 GLN 62 6.021 -16.935 -1.311 503 H LYS 63 HN LYS 63 7.888 -12.881 -3.463 504 HA LYS 63 HA LYS 63 9.031 -11.511 -5.819 505 HB2 LYS 63 2HB LYS 63 6.431 -10.687 -4.542 506 HB3 LYS 63 1HB LYS 63 7.058 -10.242 -6.119 507 HG2 LYS 63 2HG LYS 63 6.496 -13.109 -5.679 508 HG3 LYS 63 1HG LYS 63 5.108 -12.025 -5.758 509 HD2 LYS 63 2HD LYS 63 5.468 -12.799 -7.957 510 HD3 LYS 63 1HD LYS 63 6.082 -11.147 -7.918 511 HE2 LYS 63 2HE LYS 63 8.348 -11.960 -7.716 512 HE3 LYS 63 1HE LYS 63 7.772 -13.624 -7.626 513 HZ1 LYS 63 3HZ LYS 63 8.544 -13.151 -9.834 514 HZ2 LYS 63 1HZ LYS 63 7.522 -11.798 -9.953 515 HZ3 LYS 63 2HZ LYS 63 6.860 -13.355 -9.869 516 HA PRO 64 HA PRO 64 10.291 -9.561 -1.729 517 HB2 PRO 64 2HB PRO 64 12.899 -9.323 -3.075 518 HB3 PRO 64 1HB PRO 64 12.514 -9.985 -1.485 519 HG2 PRO 64 2HG PRO 64 13.239 -11.559 -3.534 520 HG3 PRO 64 1HG PRO 64 12.061 -12.084 -2.316 521 HD2 PRO 64 2HD PRO 64 11.591 -11.089 -5.102 522 HD3 PRO 64 1HD PRO 64 10.779 -12.398 -4.219 523 H GLU 65 HN GLU 65 11.565 -8.644 -4.917 524 HA GLU 65 HA GLU 65 11.807 -5.904 -4.431 525 HB2 GLU 65 2HB GLU 65 12.836 -7.050 -6.336 526 HB3 GLU 65 1HB GLU 65 11.246 -7.317 -7.030 527 HG2 GLU 65 2HG GLU 65 10.947 -4.857 -7.154 528 HG3 GLU 65 1HG GLU 65 12.618 -4.677 -6.619 529 H THR 66 HN THR 66 9.100 -7.804 -5.635 530 HA THR 66 HA THR 66 7.481 -5.573 -6.346 531 HB THR 66 HB THR 66 6.518 -8.362 -5.686 532 HG1 THR 66 1HG THR 66 7.905 -7.332 -7.928 533 HG21 THR 66 3HG2 THR 66 5.460 -6.231 -7.555 534 HG22 THR 66 1HG2 THR 66 4.750 -6.706 -6.013 535 HG23 THR 66 2HG2 THR 66 4.783 -7.848 -7.355 536 H ALA 67 HN ALA 67 7.708 -7.646 -3.482 537 HA ALA 67 HA ALA 67 5.577 -6.519 -2.028 538 HB1 ALA 67 1HB ALA 67 6.674 -8.602 -1.353 539 HB2 ALA 67 2HB ALA 67 6.689 -7.426 -0.039 540 HB3 ALA 67 3HB ALA 67 8.149 -7.711 -0.983 541 H SER 68 HN SER 68 8.975 -5.620 -2.339 542 HA SER 68 HA SER 68 8.970 -3.483 -0.502 543 HB2 SER 68 2HB SER 68 10.679 -3.800 -2.988 544 HB3 SER 68 1HB SER 68 11.045 -2.794 -1.586 545 HG SER 68 HG SER 68 10.869 -5.636 -1.670 546 H ARG 69 HN ARG 69 8.334 -3.606 -4.007 547 HA ARG 69 HA ARG 69 7.900 -0.865 -4.401 548 HB2 ARG 69 2HB ARG 69 6.671 -3.239 -5.809 549 HB3 ARG 69 1HB ARG 69 6.579 -1.592 -6.374 550 HG2 ARG 69 2HG ARG 69 9.130 -1.631 -6.399 551 HG3 ARG 69 1HG ARG 69 8.964 -3.379 -6.234 552 HD2 ARG 69 2HD ARG 69 7.379 -3.216 -8.256 553 HD3 ARG 69 1HD ARG 69 8.069 -1.611 -8.487 554 HE ARG 69 HE ARG 69 9.825 -3.959 -8.353 555 HH11 ARG 69 1HH1 ARG 69 8.558 -1.219 -10.166 556 HH12 ARG 69 2HH1 ARG 69 9.628 -1.475 -11.512 557 HH21 ARG 69 1HH2 ARG 69 11.208 -4.271 -10.115 558 HH22 ARG 69 2HH2 ARG 69 11.153 -3.173 -11.468 559 H LEU 70 HN LEU 70 5.734 -3.498 -3.508 560 HA LEU 70 HA LEU 70 3.320 -2.086 -3.548 561 HB2 LEU 70 2HB LEU 70 3.607 -4.561 -3.432 562 HB3 LEU 70 1HB LEU 70 4.060 -4.391 -1.749 563 HG LEU 70 HG LEU 70 1.823 -3.481 -1.244 564 HD11 LEU 70 1HD1 LEU 70 1.318 -2.497 -3.413 565 HD12 LEU 70 2HD1 LEU 70 0.058 -3.641 -2.944 566 HD13 LEU 70 3HD1 LEU 70 1.266 -4.101 -4.144 567 HD21 LEU 70 3HD2 LEU 70 0.601 -5.582 -1.530 568 HD22 LEU 70 1HD2 LEU 70 2.259 -5.871 -1.002 569 HD23 LEU 70 2HD2 LEU 70 1.812 -6.130 -2.689 570 H ARG 71 HN ARG 71 5.735 -2.489 -1.004 571 HA ARG 71 HA ARG 71 4.386 -1.416 1.158 572 HB2 ARG 71 2HB ARG 71 7.304 -1.226 0.413 573 HB3 ARG 71 1HB ARG 71 6.668 -0.724 1.963 574 HG2 ARG 71 2HG ARG 71 5.759 -3.120 2.136 575 HG3 ARG 71 1HG ARG 71 6.891 -3.472 0.829 576 HD2 ARG 71 2HD ARG 71 7.531 -2.385 3.564 577 HD3 ARG 71 1HD ARG 71 7.980 -3.955 2.904 578 HE ARG 71 HE ARG 71 9.248 -2.420 1.199 579 HH11 ARG 71 1HH1 ARG 71 8.925 -1.963 4.649 580 HH12 ARG 71 2HH1 ARG 71 10.436 -1.122 4.820 581 HH21 ARG 71 1HH2 ARG 71 11.254 -1.308 1.407 582 HH22 ARG 71 2HH2 ARG 71 11.748 -0.743 2.977 583 H GLY 72 HN GLY 72 6.227 0.249 -1.369 584 HA2 GLY 72 2HA GLY 72 6.007 2.850 -0.278 585 HA3 GLY 72 1HA GLY 72 6.368 2.464 -1.956 586 H ARG 73 HN ARG 73 3.983 1.041 -2.535 587 HA ARG 73 HA ARG 73 2.309 3.224 -3.214 588 HB2 ARG 73 2HB ARG 73 1.751 0.257 -3.353 589 HB3 ARG 73 1HB ARG 73 0.758 1.509 -4.088 590 HG2 ARG 73 2HG ARG 73 2.767 2.193 -5.414 591 HG3 ARG 73 1HG ARG 73 3.578 0.750 -4.802 592 HD2 ARG 73 2HD ARG 73 1.747 -0.624 -5.752 593 HD3 ARG 73 1HD ARG 73 1.048 0.842 -6.440 594 HE ARG 73 HE ARG 73 3.781 0.446 -7.200 595 HH11 ARG 73 1HH1 ARG 73 0.468 -0.383 -7.939 596 HH12 ARG 73 2HH1 ARG 73 0.801 -0.834 -9.582 597 HH21 ARG 73 1HH2 ARG 73 4.240 -0.120 -9.360 598 HH22 ARG 73 2HH2 ARG 73 2.961 -0.681 -10.390 599 H ILE 74 HN ILE 74 1.990 0.582 -0.857 600 HA ILE 74 HA ILE 74 -0.515 1.342 0.184 601 HB ILE 74 HB ILE 74 1.774 -0.043 1.609 602 HG12 ILE 74 2HG1 ILE 74 -0.648 -1.192 0.198 603 HG13 ILE 74 1HG1 ILE 74 0.993 -1.196 -0.441 604 HG21 ILE 74 1HG2 ILE 74 -1.157 0.126 2.316 605 HG22 ILE 74 2HG2 ILE 74 0.183 0.849 3.206 606 HG23 ILE 74 3HG2 ILE 74 0.027 -0.905 3.119 607 HD11 ILE 74 3HD1 ILE 74 0.425 -3.354 0.487 608 HD12 ILE 74 1HD1 ILE 74 0.050 -2.612 2.041 609 HD13 ILE 74 2HD1 ILE 74 1.707 -2.599 1.434 610 H GLU 75 HN GLU 75 2.778 2.318 0.951 611 HA GLU 75 HA GLU 75 2.303 3.842 3.236 612 HB2 GLU 75 2HB GLU 75 4.524 3.131 2.210 613 HB3 GLU 75 1HB GLU 75 4.346 4.479 1.099 614 HG2 GLU 75 2HG GLU 75 4.355 4.835 4.082 615 HG3 GLU 75 1HG GLU 75 5.828 4.827 3.117 616 H SER 76 HN SER 76 2.287 4.837 -0.192 617 HA SER 76 HA SER 76 1.722 7.549 0.351 618 HB2 SER 76 2HB SER 76 0.980 7.507 -2.132 619 HB3 SER 76 1HB SER 76 2.666 7.172 -1.742 620 HG SER 76 HG SER 76 0.859 5.026 -1.886 621 H VAL 77 HN VAL 77 -0.352 4.752 -0.123 622 HA VAL 77 HA VAL 77 -2.768 6.237 -0.440 623 HB VAL 77 HB VAL 77 -2.371 3.362 0.423 624 HG11 VAL 77 1HG1 VAL 77 -4.718 3.035 -0.184 625 HG12 VAL 77 2HG1 VAL 77 -4.873 4.756 -0.535 626 HG13 VAL 77 3HG1 VAL 77 -4.561 4.217 1.116 627 HG21 VAL 77 3HG2 VAL 77 -2.934 2.824 -1.895 628 HG22 VAL 77 1HG2 VAL 77 -1.490 3.834 -1.804 629 HG23 VAL 77 2HG2 VAL 77 -3.035 4.544 -2.271 630 H LEU 78 HN LEU 78 -1.194 4.657 2.323 631 HA LEU 78 HA LEU 78 -3.252 5.165 4.179 632 HB2 LEU 78 2HB LEU 78 -0.304 4.673 4.600 633 HB3 LEU 78 1HB LEU 78 -1.476 4.762 5.901 634 HG LEU 78 HG LEU 78 -1.482 2.717 3.678 635 HD11 LEU 78 1HD1 LEU 78 -0.910 1.135 5.454 636 HD12 LEU 78 2HD1 LEU 78 -0.800 2.470 6.602 637 HD13 LEU 78 3HD1 LEU 78 0.337 2.369 5.258 638 HD21 LEU 78 3HD2 LEU 78 -3.241 2.985 6.114 639 HD22 LEU 78 1HD2 LEU 78 -3.260 1.643 4.973 640 HD23 LEU 78 2HD2 LEU 78 -3.739 3.254 4.445 641 H ASP 79 HN ASP 79 -0.392 7.038 3.261 642 HA ASP 79 HA ASP 79 -0.648 9.060 5.215 643 HB2 ASP 79 2HB ASP 79 1.378 8.796 3.836 644 HB3 ASP 79 1HB ASP 79 0.466 9.267 2.406 645 H TRP 80 HN TRP 80 -1.926 8.758 1.937 646 HA TRP 80 HA TRP 80 -3.179 11.240 1.722 647 HB2 TRP 80 2HB TRP 80 -2.870 9.795 -0.199 648 HB3 TRP 80 1HB TRP 80 -3.900 8.562 0.512 649 HD1 TRP 80 1HD TRP 80 -4.155 12.111 -1.002 650 HE1 TRP 80 1HE TRP 80 -6.531 12.393 -1.964 651 HE3 TRP 80 3HE TRP 80 -6.210 7.694 0.572 652 HZ2 TRP 80 2HZ TRP 80 -8.941 10.942 -2.038 653 HZ3 TRP 80 3HZ TRP 80 -8.557 7.225 0.010 654 HH2 TRP 80 2HH TRP 80 -9.892 8.817 -1.269 655 H ALA 81 HN ALA 81 -4.549 8.125 2.805 656 HA ALA 81 HA ALA 81 -7.119 9.138 3.373 657 HB1 ALA 81 1HB ALA 81 -6.635 6.747 3.082 658 HB2 ALA 81 2HB ALA 81 -7.478 7.072 4.597 659 HB3 ALA 81 3HB ALA 81 -5.744 6.753 4.605 660 H THR 82 HN THR 82 -4.182 8.970 5.284 661 HA THR 82 HA THR 82 -5.300 9.615 7.790 662 HB THR 82 HB THR 82 -2.529 10.131 6.692 663 HG1 THR 82 1HG THR 82 -2.877 7.952 6.852 664 HG21 THR 82 3HG2 THR 82 -3.003 11.634 8.572 665 HG22 THR 82 1HG2 THR 82 -1.820 10.404 9.017 666 HG23 THR 82 2HG2 THR 82 -3.492 10.252 9.553 667 H VAL 83 HN VAL 83 -3.820 11.652 5.272 668 HA VAL 83 HA VAL 83 -4.201 14.083 6.698 669 HB VAL 83 HB VAL 83 -3.683 13.649 3.753 670 HG11 VAL 83 1HG1 VAL 83 -2.887 15.973 3.750 671 HG12 VAL 83 2HG1 VAL 83 -3.401 16.141 5.428 672 HG13 VAL 83 3HG1 VAL 83 -4.597 15.862 4.165 673 HG21 VAL 83 3HG2 VAL 83 -1.927 12.697 5.148 674 HG22 VAL 83 1HG2 VAL 83 -1.767 14.228 6.014 675 HG23 VAL 83 2HG2 VAL 83 -1.347 14.131 4.304 676 H ARG 84 HN ARG 84 -6.025 12.369 4.218 677 HA ARG 84 HA ARG 84 -7.887 14.470 3.753 678 HB2 ARG 84 2HB ARG 84 -8.053 11.510 3.186 679 HB3 ARG 84 1HB ARG 84 -9.270 12.665 2.677 680 HG2 ARG 84 2HG ARG 84 -6.461 12.334 1.713 681 HG3 ARG 84 1HG ARG 84 -7.961 12.386 0.788 682 HD2 ARG 84 2HD ARG 84 -6.524 14.674 2.115 683 HD3 ARG 84 1HD ARG 84 -6.805 14.430 0.394 684 HE ARG 84 HE ARG 84 -9.312 14.569 1.428 685 HH11 ARG 84 1HH1 ARG 84 -6.491 16.639 1.481 686 HH12 ARG 84 2HH1 ARG 84 -7.394 18.091 1.796 687 HH21 ARG 84 1HH2 ARG 84 -10.519 16.485 1.833 688 HH22 ARG 84 2HH2 ARG 84 -9.686 18.011 1.975 689 H GLY 85 HN GLY 85 -7.669 11.945 6.129 690 HA2 GLY 85 2HA GLY 85 -8.719 12.156 8.233 691 HA3 GLY 85 1HA GLY 85 -9.922 13.206 7.502 692 H TYR 86 HN TYR 86 -8.946 10.025 6.303 693 HA TYR 86 HA TYR 86 -11.711 9.129 6.621 694 HB2 TYR 86 2HB TYR 86 -9.339 7.859 5.247 695 HB3 TYR 86 1HB TYR 86 -10.918 7.096 5.372 696 HD1 TYR 86 2HD TYR 86 -12.917 8.346 4.340 697 HD2 TYR 86 1HD TYR 86 -8.863 9.311 3.494 698 HE1 TYR 86 2HE TYR 86 -13.623 9.488 2.279 699 HE2 TYR 86 1HE TYR 86 -9.555 10.441 1.427 700 HH TYR 86 HH TYR 86 -11.425 10.390 -0.150 701 H ARG 87 HN ARG 87 -8.671 8.856 8.151 702 HA ARG 87 HA ARG 87 -9.727 7.172 10.219 703 HB2 ARG 87 2HB ARG 87 -7.995 5.399 9.990 704 HB3 ARG 87 1HB ARG 87 -9.156 5.405 8.669 705 HG2 ARG 87 2HG ARG 87 -7.616 6.186 7.138 706 HG3 ARG 87 1HG ARG 87 -6.577 6.877 8.383 707 HD2 ARG 87 2HD ARG 87 -7.012 3.916 8.030 708 HD3 ARG 87 1HD ARG 87 -5.689 4.805 7.275 709 HE ARG 87 HE ARG 87 -5.489 5.452 9.912 710 HH11 ARG 87 1HH1 ARG 87 -5.619 2.390 8.187 711 HH12 ARG 87 2HH1 ARG 87 -4.599 1.570 9.333 712 HH21 ARG 87 1HH2 ARG 87 -4.174 4.372 11.396 713 HH22 ARG 87 2HH2 ARG 87 -3.786 2.699 11.156 714 H GLU 88 HN GLU 88 -8.323 7.054 12.066 715 HA GLU 88 HA GLU 88 -6.497 9.149 12.481 716 HB2 GLU 88 2HB GLU 88 -6.462 6.466 13.872 717 HB3 GLU 88 1HB GLU 88 -5.848 7.988 14.493 718 HG2 GLU 88 2HG GLU 88 -8.735 7.310 13.981 719 HG3 GLU 88 1HG GLU 88 -7.946 7.436 15.552 720 H GLY 89 HN GLY 89 -4.143 9.106 12.486 721 HA2 GLY 89 2HA GLY 89 -3.270 7.191 10.417 722 HA3 GLY 89 1HA GLY 89 -3.057 8.915 10.202 723 H ASP 90 HN ASP 90 -1.047 9.467 10.387 724 HA ASP 90 HA ASP 90 1.171 9.176 10.459 725 HB2 ASP 90 2HB ASP 90 0.821 9.716 12.855 726 HB3 ASP 90 1HB ASP 90 0.753 7.994 13.191 727 H ASN 91 HN ASN 91 2.292 7.771 9.388 728 HA ASN 91 HA ASN 91 0.802 5.442 8.656 729 HB2 ASN 91 2HB ASN 91 2.204 7.098 7.208 730 HB3 ASN 91 1HB ASN 91 3.564 6.086 7.662 731 HD21 ASN 91 1HD2 ASN 91 2.332 6.626 5.072 732 HD22 ASN 91 2HD2 ASN 91 1.904 5.088 4.424 733 HA PRO 92 HA PRO 92 3.298 2.509 10.991 734 HB2 PRO 92 2HB PRO 92 1.923 0.301 10.354 735 HB3 PRO 92 1HB PRO 92 1.253 1.520 11.443 736 HG2 PRO 92 2HG PRO 92 0.652 1.017 8.566 737 HG3 PRO 92 1HG PRO 92 -0.443 1.484 9.879 738 HD2 PRO 92 2HD PRO 92 0.642 3.216 7.993 739 HD3 PRO 92 1HD PRO 92 -0.048 3.698 9.553 740 H ALA 93 HN ALA 93 2.903 2.739 7.612 741 HA ALA 93 HA ALA 93 4.627 0.499 6.965 742 HB1 ALA 93 1HB ALA 93 2.782 1.112 5.466 743 HB2 ALA 93 2HB ALA 93 4.342 1.196 4.650 744 HB3 ALA 93 3HB ALA 93 3.543 2.677 5.179 745 H ARG 94 HN ARG 94 5.201 3.390 8.287 746 HA ARG 94 HA ARG 94 7.741 3.810 6.897 747 HB2 ARG 94 2HB ARG 94 6.349 5.533 8.940 748 HB3 ARG 94 1HB ARG 94 7.838 5.929 8.114 749 HG2 ARG 94 2HG ARG 94 6.710 5.998 5.991 750 HG3 ARG 94 1HG ARG 94 5.207 5.478 6.746 751 HD2 ARG 94 2HD ARG 94 5.164 7.545 8.067 752 HD3 ARG 94 1HD ARG 94 6.663 8.064 7.288 753 HE ARG 94 HE ARG 94 5.075 7.595 5.177 754 HH11 ARG 94 1HH1 ARG 94 4.456 9.430 8.120 755 HH12 ARG 94 2HH1 ARG 94 3.353 10.523 7.326 756 HH21 ARG 94 1HH2 ARG 94 3.663 8.969 4.181 757 HH22 ARG 94 2HH2 ARG 94 2.895 10.263 5.068 758 H TRP 95 HN TRP 95 9.410 2.870 7.717 759 HA TRP 95 HA TRP 95 9.360 2.060 10.544 760 HB2 TRP 95 2HB TRP 95 10.374 0.674 8.086 761 HB3 TRP 95 1HB TRP 95 11.040 0.279 9.668 762 HD1 TRP 95 1HD TRP 95 9.092 -0.456 11.546 763 HE1 TRP 95 1HE TRP 95 7.071 -2.004 11.184 764 HE3 TRP 95 3HE TRP 95 8.726 -0.140 6.464 765 HZ2 TRP 95 2HZ TRP 95 5.510 -2.948 9.037 766 HZ3 TRP 95 3HZ TRP 95 6.937 -1.391 5.333 767 HH2 TRP 95 2HH TRP 95 5.363 -2.766 6.594 768 H ARG 96 HN ARG 96 11.154 2.329 11.788 769 HA ARG 96 HA ARG 96 13.210 4.130 10.940 770 HB2 ARG 96 2HB ARG 96 13.119 2.330 13.374 771 HB3 ARG 96 1HB ARG 96 14.171 3.713 13.142 772 HG2 ARG 96 2HG ARG 96 11.171 3.834 13.360 773 HG3 ARG 96 1HG ARG 96 12.309 4.189 14.658 774 HD2 ARG 96 2HD ARG 96 13.290 5.962 13.165 775 HD3 ARG 96 1HD ARG 96 11.928 5.693 12.078 776 HE ARG 96 HE ARG 96 10.640 6.168 14.341 777 HH11 ARG 96 1HH1 ARG 96 13.333 7.871 12.868 778 HH12 ARG 96 2HH1 ARG 96 12.970 9.374 13.666 779 HH21 ARG 96 1HH2 ARG 96 10.172 8.128 15.392 780 HH22 ARG 96 2HH2 ARG 96 11.190 9.517 15.113 781 H GLY 97 HN GLY 97 12.642 0.774 10.855 782 HA2 GLY 97 2HA GLY 97 14.667 0.083 9.127 783 HA3 GLY 97 1HA GLY 97 15.322 -0.174 10.741 784 H TYR 98 HN TYR 98 12.959 -1.204 8.397 785 HA TYR 98 HA TYR 98 11.353 -2.923 9.843 786 HB2 TYR 98 2HB TYR 98 11.073 -2.322 7.438 787 HB3 TYR 98 1HB TYR 98 12.409 -3.394 7.042 788 HD1 TYR 98 1HD TYR 98 9.069 -3.437 8.716 789 HD2 TYR 98 2HD TYR 98 11.944 -5.589 6.438 790 HE1 TYR 98 1HE TYR 98 7.477 -5.291 8.467 791 HE2 TYR 98 2HE TYR 98 10.358 -7.453 6.186 792 HH TYR 98 HH TYR 98 8.355 -8.360 7.386 793 H LEU 99 HN LEU 99 14.344 -3.803 8.104 794 HA LEU 99 HA LEU 99 14.674 -6.021 10.011 795 HB2 LEU 99 2HB LEU 99 15.801 -5.708 7.227 796 HB3 LEU 99 1HB LEU 99 16.078 -7.068 8.288 797 HG LEU 99 HG LEU 99 13.413 -6.286 7.109 798 HD11 LEU 99 1HD1 LEU 99 14.912 -7.185 5.428 799 HD12 LEU 99 2HD1 LEU 99 13.653 -8.359 5.814 800 HD13 LEU 99 3HD1 LEU 99 15.277 -8.564 6.466 801 HD21 LEU 99 3HD2 LEU 99 14.180 -8.677 8.774 802 HD22 LEU 99 1HD2 LEU 99 12.608 -8.395 8.028 803 HD23 LEU 99 2HD2 LEU 99 13.182 -7.326 9.310 804 H GLU 100 HN GLU 100 15.900 -3.081 8.795 805 HA GLU 100 HA GLU 100 18.654 -3.520 9.544 806 HB2 GLU 100 2HB GLU 100 17.483 -0.826 8.930 807 HB3 GLU 100 1HB GLU 100 19.107 -1.418 8.623 808 HG2 GLU 100 2HG GLU 100 18.271 -1.416 6.511 809 HG3 GLU 100 1HG GLU 100 17.847 -3.056 6.999 810 H HIS 101 HN HIS 101 16.494 -3.591 11.658 811 HA HIS 101 HA HIS 101 16.802 -1.219 13.203 812 HB2 HIS 101 2HB HIS 101 15.621 -2.374 14.989 813 HB3 HIS 101 1HB HIS 101 14.803 -2.607 13.454 814 HD1 HIS 101 1HD HIS 101 17.000 -4.497 15.911 815 HD2 HIS 101 2HD HIS 101 14.342 -5.217 12.788 816 HE1 HIS 101 1HE HIS 101 16.600 -6.974 15.919 817 HE2 HIS 101 2HE HIS 101 14.791 -7.339 14.206 818 H HIS 102 HN HIS 102 18.853 -3.825 12.675 819 HA HIS 102 HA HIS 102 20.199 -3.501 15.256 820 HB2 HIS 102 2HB HIS 102 19.835 -5.810 14.368 821 HB3 HIS 102 1HB HIS 102 20.884 -5.413 13.009 822 HD1 HIS 102 1HD HIS 102 23.444 -5.180 13.508 823 HD2 HIS 102 2HD HIS 102 21.136 -6.326 16.778 824 HE1 HIS 102 1HE HIS 102 25.075 -5.991 15.241 825 HE2 HIS 102 2HE HIS 102 23.675 -6.443 17.288 826 H HIS 103 HN HIS 103 21.082 -1.498 15.053 827 HA HIS 103 HA HIS 103 22.624 0.072 14.582 828 HB2 HIS 103 2HB HIS 103 24.073 -1.894 15.283 829 HB3 HIS 103 1HB HIS 103 24.383 -2.155 13.569 830 HD1 HIS 103 1HD HIS 103 26.452 -1.054 12.759 831 HD2 HIS 103 2HD HIS 103 24.791 0.947 16.009 832 HE1 HIS 103 1HE HIS 103 28.009 0.860 13.250 833 HE2 HIS 103 2HE HIS 103 26.917 2.132 15.135 834 H HIS 104 HN HIS 104 21.400 1.040 12.941 835 HA HIS 104 HA HIS 104 22.442 0.560 10.226 836 HB2 HIS 104 2HB HIS 104 20.408 1.672 9.383 837 HB3 HIS 104 1HB HIS 104 20.018 0.252 10.344 838 HD1 HIS 104 1HD HIS 104 19.730 3.991 10.344 839 HD2 HIS 104 2HD HIS 104 18.613 0.755 12.703 840 HE1 HIS 104 1HE HIS 104 18.094 4.907 12.020 841 HE2 HIS 104 2HE HIS 104 17.304 2.895 13.325 842 H HIS 105 HN HIS 105 22.709 2.526 8.881 843 HA HIS 105 HA HIS 105 24.142 4.532 10.339 844 HB2 HIS 105 2HB HIS 105 24.403 3.638 7.841 845 HB3 HIS 105 1HB HIS 105 23.313 4.977 7.502 846 HD1 HIS 105 1HD HIS 105 24.374 7.251 7.274 847 HD2 HIS 105 2HD HIS 105 26.883 4.495 9.131 848 HE1 HIS 105 1HE HIS 105 26.599 8.397 7.499 849 HE2 HIS 105 2HE HIS 105 28.119 6.703 8.582 850 H HIS 106 HN HIS 106 23.539 6.616 10.805 851 HA HIS 106 HA HIS 106 20.754 7.048 11.196 852 HB2 HIS 106 2HB HIS 106 22.377 7.923 12.778 853 HB3 HIS 106 1HB HIS 106 23.111 8.912 11.522 854 HD1 HIS 106 1HD HIS 106 19.885 8.621 13.497 855 HD2 HIS 106 2HD HIS 106 21.989 11.385 11.205 856 HE1 HIS 106 1HE HIS 106 18.645 10.798 13.747 857 HE2 HIS 106 2HE HIS 106 19.866 12.425 12.254 Start of MODEL 16 1 H1 MET 1 H1 MET 1 -16.878 2.749 4.234 2 H2 MET 1 H2 MET 1 -15.928 1.852 5.318 3 H3 MET 1 H3 MET 1 -16.719 1.073 4.036 4 HA MET 1 HA MET 1 -15.369 2.175 2.431 5 HB2 MET 1 2HB MET 1 -15.033 4.285 3.656 6 HB3 MET 1 1HB MET 1 -14.018 3.450 4.826 7 HG2 MET 1 2HG MET 1 -12.580 4.588 3.305 8 HG3 MET 1 1HG MET 1 -12.470 2.866 2.966 9 HE1 MET 1 2HE MET 1 -14.009 6.294 1.820 10 HE2 MET 1 3HE MET 1 -15.430 5.262 1.970 11 HE3 MET 1 1HE MET 1 -14.908 5.818 0.379 12 H THR 2 HN THR 2 -14.067 0.665 1.664 13 HA THR 2 HA THR 2 -12.530 -0.968 3.559 14 HB THR 2 HB THR 2 -12.264 -2.571 1.671 15 HG1 THR 2 1HG THR 2 -14.236 -1.022 0.312 16 HG21 THR 2 3HG2 THR 2 -14.581 -3.388 1.662 17 HG22 THR 2 1HG2 THR 2 -15.125 -1.843 2.319 18 HG23 THR 2 2HG2 THR 2 -14.077 -2.888 3.277 19 H PHE 3 HN PHE 3 -10.366 -1.719 2.661 20 HA PHE 3 HA PHE 3 -8.730 0.525 2.241 21 HB2 PHE 3 2HB PHE 3 -7.933 -1.560 3.284 22 HB3 PHE 3 1HB PHE 3 -8.092 -2.394 1.742 23 HD1 PHE 3 1HD PHE 3 -6.326 0.415 3.401 24 HD2 PHE 3 2HD PHE 3 -6.322 -2.431 0.241 25 HE1 PHE 3 1HE PHE 3 -4.022 1.057 2.838 26 HE2 PHE 3 2HE PHE 3 -4.011 -1.798 -0.327 27 HZ PHE 3 HZ PHE 3 -2.861 -0.051 0.973 28 H SER 4 HN SER 4 -9.979 -1.919 0.008 29 HA SER 4 HA SER 4 -8.602 -1.109 -2.284 30 HB2 SER 4 2HB SER 4 -11.405 -2.241 -2.181 31 HB3 SER 4 1HB SER 4 -10.273 -2.331 -3.531 32 HG SER 4 HG SER 4 -10.067 -4.254 -2.519 33 H GLU 5 HN GLU 5 -11.713 -0.024 -0.968 34 HA GLU 5 HA GLU 5 -12.404 1.663 -3.120 35 HB2 GLU 5 2HB GLU 5 -13.236 1.674 -0.220 36 HB3 GLU 5 1HB GLU 5 -13.963 2.688 -1.451 37 HG2 GLU 5 2HG GLU 5 -14.749 0.763 -2.646 38 HG3 GLU 5 1HG GLU 5 -13.919 -0.311 -1.522 39 H CYS 6 HN CYS 6 -10.817 2.284 -0.021 40 HA CYS 6 HA CYS 6 -10.613 5.091 -0.349 41 HB2 CYS 6 2HB CYS 6 -10.365 3.724 1.796 42 HB3 CYS 6 1HB CYS 6 -8.728 3.388 1.280 43 HG CYS 6 HG CYS 6 -8.395 6.359 1.007 44 H ALA 7 HN ALA 7 -8.413 2.417 -1.016 45 HA ALA 7 HA ALA 7 -6.263 3.897 -2.046 46 HB1 ALA 7 1HB ALA 7 -6.130 1.497 -1.561 47 HB2 ALA 7 2HB ALA 7 -5.617 1.849 -3.211 48 HB3 ALA 7 3HB ALA 7 -7.214 1.165 -2.912 49 H ALA 8 HN ALA 8 -9.174 2.646 -3.627 50 HA ALA 8 HA ALA 8 -8.578 3.466 -6.240 51 HB1 ALA 8 1HB ALA 8 -10.361 1.885 -5.733 52 HB2 ALA 8 2HB ALA 8 -10.978 3.248 -6.667 53 HB3 ALA 8 3HB ALA 8 -11.279 3.159 -4.932 54 H LEU 9 HN LEU 9 -10.017 5.203 -3.524 55 HA LEU 9 HA LEU 9 -10.834 7.504 -4.913 56 HB2 LEU 9 2HB LEU 9 -9.778 7.287 -2.088 57 HB3 LEU 9 1HB LEU 9 -10.639 8.659 -2.741 58 HG LEU 9 HG LEU 9 -11.804 5.897 -2.405 59 HD11 LEU 9 1HD1 LEU 9 -12.204 8.426 -0.811 60 HD12 LEU 9 2HD1 LEU 9 -11.387 6.964 -0.262 61 HD13 LEU 9 3HD1 LEU 9 -13.117 6.930 -0.607 62 HD21 LEU 9 3HD2 LEU 9 -13.929 6.996 -2.919 63 HD22 LEU 9 1HD2 LEU 9 -12.797 7.123 -4.265 64 HD23 LEU 9 2HD2 LEU 9 -13.076 8.511 -3.213 65 H TYR 10 HN TYR 10 -7.787 6.768 -3.259 66 HA TYR 10 HA TYR 10 -6.394 9.116 -3.844 67 HB2 TYR 10 2HB TYR 10 -5.608 7.462 -2.224 68 HB3 TYR 10 1HB TYR 10 -5.374 6.284 -3.504 69 HD1 TYR 10 2HD TYR 10 -4.227 9.684 -2.462 70 HD2 TYR 10 1HD TYR 10 -3.267 6.042 -4.446 71 HE1 TYR 10 2HE TYR 10 -1.908 10.449 -2.737 72 HE2 TYR 10 1HE TYR 10 -0.941 6.799 -4.720 73 HH TYR 10 HH TYR 10 0.292 8.959 -4.808 74 H ILE 11 HN ILE 11 -6.659 6.096 -5.620 75 HA ILE 11 HA ILE 11 -4.835 6.783 -7.678 76 HB ILE 11 HB ILE 11 -7.013 4.696 -7.572 77 HG12 ILE 11 2HG1 ILE 11 -4.013 4.446 -7.274 78 HG13 ILE 11 1HG1 ILE 11 -5.144 4.503 -5.929 79 HG21 ILE 11 1HG2 ILE 11 -4.784 5.003 -9.582 80 HG22 ILE 11 2HG2 ILE 11 -6.504 5.240 -9.892 81 HG23 ILE 11 3HG2 ILE 11 -5.895 3.639 -9.472 82 HD11 ILE 11 3HD1 ILE 11 -4.438 2.230 -6.435 83 HD12 ILE 11 1HD1 ILE 11 -5.081 2.393 -8.068 84 HD13 ILE 11 2HD1 ILE 11 -6.172 2.442 -6.682 85 H LYS 12 HN LYS 12 -8.416 6.776 -7.585 86 HA LYS 12 HA LYS 12 -8.675 7.586 -10.299 87 HB2 LYS 12 2HB LYS 12 -10.620 7.561 -8.001 88 HB3 LYS 12 1HB LYS 12 -11.066 8.109 -9.609 89 HG2 LYS 12 2HG LYS 12 -10.407 5.892 -10.498 90 HG3 LYS 12 1HG LYS 12 -10.114 5.358 -8.841 91 HD2 LYS 12 2HD LYS 12 -12.747 6.428 -9.844 92 HD3 LYS 12 1HD LYS 12 -12.348 4.711 -9.748 93 HE2 LYS 12 2HE LYS 12 -12.080 4.869 -7.355 94 HE3 LYS 12 1HE LYS 12 -12.328 6.615 -7.407 95 HZ1 LYS 12 3HZ LYS 12 -14.372 4.674 -8.325 96 HZ2 LYS 12 1HZ LYS 12 -14.573 6.331 -8.009 97 HZ3 LYS 12 2HZ LYS 12 -14.300 5.246 -6.730 98 H ALA 13 HN ALA 13 -8.513 9.350 -7.257 99 HA ALA 13 HA ALA 13 -9.372 11.843 -8.324 100 HB1 ALA 13 1HB ALA 13 -7.701 11.301 -5.871 101 HB2 ALA 13 2HB ALA 13 -9.463 11.359 -5.931 102 HB3 ALA 13 3HB ALA 13 -8.520 12.814 -6.256 103 H HIS 14 HN HIS 14 -6.582 10.105 -8.898 104 HA HIS 14 HA HIS 14 -5.207 12.543 -9.815 105 HB2 HIS 14 2HB HIS 14 -3.920 10.171 -8.439 106 HB3 HIS 14 1HB HIS 14 -3.033 11.468 -9.231 107 HD1 HIS 14 1HD HIS 14 -4.652 10.538 -6.077 108 HD2 HIS 14 2HD HIS 14 -3.262 14.010 -7.898 109 HE1 HIS 14 1HE HIS 14 -4.477 12.248 -4.237 110 HE2 HIS 14 2HE HIS 14 -3.648 14.350 -5.359 111 H ARG 15 HN ARG 15 -6.810 10.054 -10.944 112 HA ARG 15 HA ARG 15 -4.929 8.507 -12.365 113 HB2 ARG 15 2HB ARG 15 -6.765 7.483 -13.483 114 HB3 ARG 15 1HB ARG 15 -7.248 7.774 -11.822 115 HG2 ARG 15 2HG ARG 15 -8.577 9.678 -12.510 116 HG3 ARG 15 1HG ARG 15 -8.034 9.478 -14.180 117 HD2 ARG 15 2HD ARG 15 -9.014 7.178 -14.134 118 HD3 ARG 15 1HD ARG 15 -9.696 7.558 -12.555 119 HE ARG 15 HE ARG 15 -10.674 9.556 -14.048 120 HH11 ARG 15 1HH1 ARG 15 -10.474 6.123 -14.682 121 HH12 ARG 15 2HH1 ARG 15 -11.940 6.060 -15.599 122 HH21 ARG 15 1HH2 ARG 15 -12.615 9.490 -15.287 123 HH22 ARG 15 2HH2 ARG 15 -13.169 7.976 -15.933 124 H SER 16 HN SER 16 -6.735 11.403 -13.269 125 HA SER 16 HA SER 16 -5.922 11.389 -15.985 126 HB2 SER 16 2HB SER 16 -6.854 13.694 -14.263 127 HB3 SER 16 1HB SER 16 -6.850 13.629 -16.020 128 HG SER 16 HG SER 16 -8.882 13.084 -14.746 129 H SER 17 HN SER 17 -4.509 12.442 -13.015 130 HA SER 17 HA SER 17 -2.520 14.107 -14.277 131 HB2 SER 17 2HB SER 17 -2.771 13.192 -11.405 132 HB3 SER 17 1HB SER 17 -1.757 14.495 -12.007 133 HG SER 17 HG SER 17 -3.699 15.563 -12.685 134 H TRP 18 HN TRP 18 -2.937 10.819 -13.645 135 HA TRP 18 HA TRP 18 -0.106 10.292 -13.249 136 HB2 TRP 18 2HB TRP 18 -2.581 8.635 -12.968 137 HB3 TRP 18 1HB TRP 18 -1.009 7.852 -13.119 138 HD1 TRP 18 1HD TRP 18 -0.146 10.821 -11.342 139 HE1 TRP 18 1HE TRP 18 -0.128 10.476 -8.792 140 HE3 TRP 18 3HE TRP 18 -2.780 6.457 -11.100 141 HZ2 TRP 18 2HZ TRP 18 -1.098 8.597 -6.926 142 HZ3 TRP 18 3HZ TRP 18 -3.187 5.447 -8.897 143 HH2 TRP 18 2HH TRP 18 -2.366 6.495 -6.853 144 H LYS 19 HN LYS 19 -1.163 11.262 -15.821 145 HA LYS 19 HA LYS 19 -0.471 9.224 -17.707 146 HB2 LYS 19 2HB LYS 19 -0.433 12.250 -17.930 147 HB3 LYS 19 1HB LYS 19 -0.215 11.140 -19.276 148 HG2 LYS 19 2HG LYS 19 -2.477 10.322 -19.010 149 HG3 LYS 19 1HG LYS 19 -2.705 11.342 -17.591 150 HD2 LYS 19 2HD LYS 19 -2.101 12.378 -20.363 151 HD3 LYS 19 1HD LYS 19 -3.719 12.269 -19.666 152 HE2 LYS 19 2HE LYS 19 -3.013 13.761 -17.842 153 HE3 LYS 19 1HE LYS 19 -1.421 13.898 -18.585 154 HZ1 LYS 19 3HZ LYS 19 -3.947 14.686 -19.930 155 HZ2 LYS 19 1HZ LYS 19 -2.368 14.973 -20.477 156 HZ3 LYS 19 2HZ LYS 19 -2.948 15.765 -19.090 157 H ASN 20 HN ASN 20 2.867 9.264 -17.615 158 HA ASN 20 HA ASN 20 0.752 9.434 -19.553 159 HB2 ASN 20 2HB ASN 20 2.970 9.918 -20.405 160 HB3 ASN 20 1HB ASN 20 3.588 8.403 -19.756 161 HD21 ASN 20 1HD2 ASN 20 1.675 9.889 -22.246 162 HD22 ASN 20 2HD2 ASN 20 1.599 8.510 -23.290 163 H THR 21 HN THR 21 -0.551 7.880 -19.870 164 HA THR 21 HA THR 21 -1.527 5.893 -20.194 165 HB THR 21 HB THR 21 -0.036 3.797 -20.237 166 HG1 THR 21 1HG THR 21 2.074 5.639 -20.545 167 HG21 THR 21 3HG2 THR 21 0.790 4.386 -22.467 168 HG22 THR 21 1HG2 THR 21 0.410 6.076 -22.142 169 HG23 THR 21 2HG2 THR 21 -0.885 4.880 -22.216 170 H LYS 22 HN LYS 22 -0.883 3.308 -19.012 171 HA LYS 22 HA LYS 22 -2.869 3.659 -17.025 172 HB2 LYS 22 2HB LYS 22 -1.388 1.227 -17.980 173 HB3 LYS 22 1HB LYS 22 -2.676 1.183 -16.791 174 HG2 LYS 22 2HG LYS 22 -4.017 2.448 -18.654 175 HG3 LYS 22 1HG LYS 22 -2.806 1.717 -19.711 176 HD2 LYS 22 2HD LYS 22 -4.618 0.255 -17.789 177 HD3 LYS 22 1HD LYS 22 -4.764 0.282 -19.546 178 HE2 LYS 22 2HE LYS 22 -2.775 -0.955 -19.826 179 HE3 LYS 22 1HE LYS 22 -2.306 -0.731 -18.142 180 HZ1 LYS 22 3HZ LYS 22 -4.737 -2.221 -18.958 181 HZ2 LYS 22 1HZ LYS 22 -4.009 -2.183 -17.424 182 HZ3 LYS 22 2HZ LYS 22 -3.233 -2.964 -18.720 183 H HIS 23 HN HIS 23 -0.351 4.800 -16.158 184 HA HIS 23 HA HIS 23 0.901 3.282 -14.178 185 HB2 HIS 23 2HB HIS 23 0.334 6.233 -14.368 186 HB3 HIS 23 1HB HIS 23 1.189 5.550 -12.990 187 HD1 HIS 23 1HD HIS 23 3.320 6.910 -13.686 188 HD2 HIS 23 2HD HIS 23 2.040 4.111 -16.487 189 HE1 HIS 23 1HE HIS 23 5.239 6.617 -15.287 190 HE2 HIS 23 2HE HIS 23 4.355 5.082 -17.082 191 H ALA 24 HN ALA 24 -2.204 4.952 -14.119 192 HA ALA 24 HA ALA 24 -2.735 4.544 -11.356 193 HB1 ALA 24 1HB ALA 24 -3.916 6.222 -12.696 194 HB2 ALA 24 2HB ALA 24 -5.041 5.115 -11.910 195 HB3 ALA 24 3HB ALA 24 -4.684 4.938 -13.629 196 H ASP 25 HN ASP 25 -3.423 2.658 -14.265 197 HA ASP 25 HA ASP 25 -5.046 0.691 -13.023 198 HB2 ASP 25 2HB ASP 25 -4.985 1.029 -15.465 199 HB3 ASP 25 1HB ASP 25 -3.329 0.450 -15.507 200 H GLN 26 HN GLN 26 -1.609 0.973 -13.649 201 HA GLN 26 HA GLN 26 -0.750 -1.513 -12.736 202 HB2 GLN 26 2HB GLN 26 0.579 1.196 -12.608 203 HB3 GLN 26 1HB GLN 26 1.395 -0.307 -12.238 204 HG2 GLN 26 2HG GLN 26 1.026 -1.091 -14.513 205 HG3 GLN 26 1HG GLN 26 0.162 0.400 -14.887 206 HE21 GLN 26 1HE2 GLN 26 1.598 0.945 -16.508 207 HE22 GLN 26 2HE2 GLN 26 3.206 1.504 -16.181 208 H TRP 27 HN TRP 27 -1.255 1.520 -10.948 209 HA TRP 27 HA TRP 27 -0.526 0.557 -8.406 210 HB2 TRP 27 2HB TRP 27 -2.191 2.829 -9.400 211 HB3 TRP 27 1HB TRP 27 -2.242 2.429 -7.688 212 HD1 TRP 27 1HD TRP 27 0.480 3.255 -10.351 213 HE1 TRP 27 1HE TRP 27 2.331 4.605 -9.175 214 HE3 TRP 27 3HE TRP 27 -1.372 3.193 -5.587 215 HZ2 TRP 27 2HZ TRP 27 2.923 5.523 -6.574 216 HZ3 TRP 27 3HZ TRP 27 -0.106 4.334 -3.817 217 HH2 TRP 27 2HH TRP 27 1.996 5.477 -4.303 218 H THR 28 HN THR 28 -3.717 0.823 -9.938 219 HA THR 28 HA THR 28 -5.235 -0.186 -7.809 220 HB THR 28 HB THR 28 -5.910 -0.474 -10.745 221 HG1 THR 28 1HG THR 28 -5.372 1.700 -10.296 222 HG21 THR 28 3HG2 THR 28 -8.222 -0.327 -9.965 223 HG22 THR 28 1HG2 THR 28 -7.660 -0.169 -8.300 224 HG23 THR 28 2HG2 THR 28 -7.389 -1.671 -9.183 225 H ASN 29 HN ASN 29 -3.860 -1.807 -10.633 226 HA ASN 29 HA ASN 29 -5.089 -4.303 -10.227 227 HB2 ASN 29 2HB ASN 29 -3.965 -3.316 -12.328 228 HB3 ASN 29 1HB ASN 29 -2.458 -3.905 -11.640 229 HD21 ASN 29 1HD2 ASN 29 -3.998 -4.599 -14.068 230 HD22 ASN 29 2HD2 ASN 29 -4.180 -6.316 -14.005 231 H THR 30 HN THR 30 -1.823 -3.155 -9.371 232 HA THR 30 HA THR 30 -0.926 -5.645 -8.393 233 HB THR 30 HB THR 30 0.830 -4.257 -7.199 234 HG1 THR 30 1HG THR 30 -0.106 -2.073 -8.727 235 HG21 THR 30 3HG2 THR 30 0.436 -3.795 -10.161 236 HG22 THR 30 1HG2 THR 30 1.201 -5.202 -9.425 237 HG23 THR 30 2HG2 THR 30 1.955 -3.615 -9.285 238 H ILE 31 HN ILE 31 -2.134 -2.771 -6.666 239 HA ILE 31 HA ILE 31 -1.893 -3.841 -4.083 240 HB ILE 31 HB ILE 31 -3.798 -1.722 -5.098 241 HG12 ILE 31 2HG1 ILE 31 -1.123 -1.485 -3.690 242 HG13 ILE 31 1HG1 ILE 31 -1.392 -1.209 -5.406 243 HG21 ILE 31 1HG2 ILE 31 -3.007 -2.388 -2.261 244 HG22 ILE 31 2HG2 ILE 31 -4.589 -2.665 -2.994 245 HG23 ILE 31 3HG2 ILE 31 -4.000 -1.018 -2.762 246 HD11 ILE 31 3HD1 ILE 31 -2.566 0.395 -3.150 247 HD12 ILE 31 1HD1 ILE 31 -2.872 0.665 -4.864 248 HD13 ILE 31 2HD1 ILE 31 -1.248 0.889 -4.210 249 H LYS 32 HN LYS 32 -4.592 -3.873 -6.364 250 HA LYS 32 HA LYS 32 -6.497 -5.000 -4.621 251 HB2 LYS 32 2HB LYS 32 -6.842 -3.876 -6.914 252 HB3 LYS 32 1HB LYS 32 -6.458 -5.445 -7.596 253 HG2 LYS 32 2HG LYS 32 -8.338 -6.445 -6.421 254 HG3 LYS 32 1HG LYS 32 -8.716 -4.886 -5.684 255 HD2 LYS 32 2HD LYS 32 -10.182 -5.202 -7.549 256 HD3 LYS 32 1HD LYS 32 -9.014 -3.952 -7.976 257 HE2 LYS 32 2HE LYS 32 -9.227 -5.367 -9.868 258 HE3 LYS 32 1HE LYS 32 -7.676 -5.746 -9.124 259 HZ1 LYS 32 3HZ LYS 32 -10.188 -7.307 -8.840 260 HZ2 LYS 32 1HZ LYS 32 -8.727 -7.666 -8.048 261 HZ3 LYS 32 2HZ LYS 32 -8.823 -7.759 -9.740 262 H THR 33 HN THR 33 -3.939 -6.396 -6.527 263 HA THR 33 HA THR 33 -4.993 -9.077 -6.385 264 HB THR 33 HB THR 33 -2.289 -8.074 -7.294 265 HG1 THR 33 1HG THR 33 -3.824 -7.364 -8.722 266 HG21 THR 33 3HG2 THR 33 -2.069 -10.274 -8.376 267 HG22 THR 33 1HG2 THR 33 -3.574 -10.790 -7.615 268 HG23 THR 33 2HG2 THR 33 -2.167 -10.416 -6.621 269 H TYR 34 HN TYR 34 -2.197 -7.385 -4.963 270 HA TYR 34 HA TYR 34 -1.505 -9.705 -3.414 271 HB2 TYR 34 2HB TYR 34 -0.347 -6.924 -3.516 272 HB3 TYR 34 1HB TYR 34 0.291 -8.208 -2.493 273 HD1 TYR 34 1HD TYR 34 1.127 -10.330 -3.606 274 HD2 TYR 34 2HD TYR 34 0.256 -6.783 -5.794 275 HE1 TYR 34 1HE TYR 34 2.459 -11.174 -5.493 276 HE2 TYR 34 2HE TYR 34 1.585 -7.619 -7.685 277 HH TYR 34 HH TYR 34 2.593 -10.827 -7.950 278 H CYS 35 HN CYS 35 -2.743 -6.455 -2.635 279 HA CYS 35 HA CYS 35 -2.904 -7.167 0.177 280 HB2 CYS 35 2HB CYS 35 -3.772 -4.612 -1.187 281 HB3 CYS 35 1HB CYS 35 -3.508 -4.851 0.537 282 HG CYS 35 HG CYS 35 -0.696 -5.471 0.005 283 H GLY 36 HN GLY 36 -4.928 -7.093 -2.584 284 HA2 GLY 36 2HA GLY 36 -7.425 -6.429 -1.624 285 HA3 GLY 36 1HA GLY 36 -7.144 -7.569 -2.928 286 HA PRO 37 HA PRO 37 -8.643 -10.998 -0.651 287 HB2 PRO 37 2HB PRO 37 -6.028 -12.390 -0.680 288 HB3 PRO 37 1HB PRO 37 -7.592 -12.911 -1.317 289 HG2 PRO 37 2HG PRO 37 -5.654 -12.121 -2.960 290 HG3 PRO 37 1HG PRO 37 -7.346 -11.698 -3.280 291 HD2 PRO 37 2HD PRO 37 -5.156 -10.011 -2.135 292 HD3 PRO 37 1HD PRO 37 -6.416 -9.577 -3.309 293 H VAL 38 HN VAL 38 -6.124 -9.214 0.723 294 HA VAL 38 HA VAL 38 -6.264 -10.760 3.226 295 HB VAL 38 HB VAL 38 -4.216 -8.654 2.523 296 HG11 VAL 38 1HG1 VAL 38 -2.975 -9.595 4.406 297 HG12 VAL 38 2HG1 VAL 38 -4.295 -10.724 4.715 298 HG13 VAL 38 3HG1 VAL 38 -4.554 -8.990 4.911 299 HG21 VAL 38 3HG2 VAL 38 -2.663 -10.525 2.145 300 HG22 VAL 38 1HG2 VAL 38 -3.990 -10.517 0.984 301 HG23 VAL 38 2HG2 VAL 38 -4.002 -11.657 2.329 302 H ILE 39 HN ILE 39 -5.826 -7.330 2.286 303 HA ILE 39 HA ILE 39 -7.518 -6.624 4.599 304 HB ILE 39 HB ILE 39 -6.260 -4.492 4.729 305 HG12 ILE 39 2HG1 ILE 39 -4.394 -5.821 2.749 306 HG13 ILE 39 1HG1 ILE 39 -5.457 -4.468 2.383 307 HG21 ILE 39 1HG2 ILE 39 -5.696 -6.330 6.202 308 HG22 ILE 39 2HG2 ILE 39 -4.242 -5.440 5.747 309 HG23 ILE 39 3HG2 ILE 39 -4.601 -6.991 4.988 310 HD11 ILE 39 3HD1 ILE 39 -4.233 -3.088 3.994 311 HD12 ILE 39 1HD1 ILE 39 -3.180 -3.719 2.726 312 HD13 ILE 39 2HD1 ILE 39 -3.162 -4.448 4.333 313 H GLY 40 HN GLY 40 -7.612 -6.788 1.382 314 HA2 GLY 40 2HA GLY 40 -8.374 -4.314 0.381 315 HA3 GLY 40 1HA GLY 40 -8.946 -5.855 -0.233 316 HA PRO 41 HA PRO 41 -12.984 -5.063 1.389 317 HB2 PRO 41 2HB PRO 41 -13.244 -7.592 2.809 318 HB3 PRO 41 1HB PRO 41 -14.008 -7.080 1.303 319 HG2 PRO 41 2HG PRO 41 -12.106 -9.009 1.405 320 HG3 PRO 41 1HG PRO 41 -12.326 -7.945 0.003 321 HD2 PRO 41 2HD PRO 41 -10.313 -7.777 2.219 322 HD3 PRO 41 1HD PRO 41 -10.088 -7.533 0.471 323 H LEU 42 HN LEU 42 -10.472 -5.156 3.492 324 HA LEU 42 HA LEU 42 -12.098 -4.921 5.910 325 HB2 LEU 42 2HB LEU 42 -9.108 -4.913 5.492 326 HB3 LEU 42 1HB LEU 42 -9.880 -4.691 7.049 327 HG LEU 42 HG LEU 42 -10.050 -7.168 5.334 328 HD11 LEU 42 1HD1 LEU 42 -8.744 -8.201 7.116 329 HD12 LEU 42 2HD1 LEU 42 -8.641 -6.649 7.947 330 HD13 LEU 42 3HD1 LEU 42 -7.867 -6.862 6.377 331 HD21 LEU 42 3HD2 LEU 42 -11.212 -6.556 8.049 332 HD22 LEU 42 1HD2 LEU 42 -11.183 -8.149 7.292 333 HD23 LEU 42 2HD2 LEU 42 -12.111 -6.840 6.559 334 H SER 43 HN SER 43 -11.482 -3.061 7.386 335 HA SER 43 HA SER 43 -11.974 -0.619 6.030 336 HB2 SER 43 2HB SER 43 -12.773 -1.021 8.316 337 HB3 SER 43 1HB SER 43 -11.111 -1.117 8.889 338 HG SER 43 HG SER 43 -12.629 1.039 8.621 339 H VAL 44 HN VAL 44 -10.636 1.022 5.480 340 HA VAL 44 HA VAL 44 -7.836 0.559 5.268 341 HB VAL 44 HB VAL 44 -9.089 1.947 3.644 342 HG11 VAL 44 1HG1 VAL 44 -9.696 4.262 4.223 343 HG12 VAL 44 2HG1 VAL 44 -9.284 3.929 5.906 344 HG13 VAL 44 3HG1 VAL 44 -10.619 3.071 5.140 345 HG21 VAL 44 3HG2 VAL 44 -6.870 3.416 5.062 346 HG22 VAL 44 1HG2 VAL 44 -7.431 3.741 3.423 347 HG23 VAL 44 2HG2 VAL 44 -6.675 2.194 3.805 348 H GLN 45 HN GLN 45 -9.892 1.844 7.681 349 HA GLN 45 HA GLN 45 -7.904 3.380 9.078 350 HB2 GLN 45 2HB GLN 45 -10.405 3.746 9.194 351 HB3 GLN 45 1HB GLN 45 -10.515 2.262 10.124 352 HG2 GLN 45 2HG GLN 45 -8.805 4.560 11.008 353 HG3 GLN 45 1HG GLN 45 -10.522 4.474 11.384 354 HE21 GLN 45 1HE2 GLN 45 -8.215 4.471 13.151 355 HE22 GLN 45 2HE2 GLN 45 -8.320 3.010 14.081 356 H ASP 46 HN ASP 46 -9.198 0.133 9.148 357 HA ASP 46 HA ASP 46 -8.006 -0.602 11.642 358 HB2 ASP 46 2HB ASP 46 -10.103 -1.592 10.626 359 HB3 ASP 46 1HB ASP 46 -9.059 -2.457 9.504 360 H VAL 47 HN VAL 47 -6.915 -0.451 8.402 361 HA VAL 47 HA VAL 47 -4.975 -2.474 8.365 362 HB VAL 47 HB VAL 47 -4.902 0.209 6.970 363 HG11 VAL 47 1HG1 VAL 47 -3.299 -0.817 5.440 364 HG12 VAL 47 2HG1 VAL 47 -3.312 -2.295 6.402 365 HG13 VAL 47 3HG1 VAL 47 -2.677 -0.800 7.090 366 HG21 VAL 47 3HG2 VAL 47 -6.861 -1.103 6.381 367 HG22 VAL 47 1HG2 VAL 47 -5.843 -2.496 6.021 368 HG23 VAL 47 2HG2 VAL 47 -5.733 -1.044 5.026 369 H ASP 48 HN ASP 48 -3.373 -2.751 9.736 370 HA ASP 48 HA ASP 48 -1.845 -0.415 10.652 371 HB2 ASP 48 2HB ASP 48 -3.562 -1.435 12.348 372 HB3 ASP 48 1HB ASP 48 -2.369 -2.714 12.514 373 H THR 49 HN THR 49 0.037 -1.631 12.149 374 HA THR 49 HA THR 49 1.871 -2.434 10.192 375 HB THR 49 HB THR 49 2.078 -2.975 13.161 376 HG1 THR 49 1HG THR 49 1.841 -0.851 13.233 377 HG21 THR 49 3HG2 THR 49 3.831 -3.999 11.762 378 HG22 THR 49 1HG2 THR 49 4.473 -2.719 12.792 379 HG23 THR 49 2HG2 THR 49 4.195 -2.415 11.078 380 H LYS 50 HN LYS 50 0.033 -4.330 12.539 381 HA LYS 50 HA LYS 50 1.203 -6.830 12.161 382 HB2 LYS 50 2HB LYS 50 -0.358 -6.267 13.979 383 HB3 LYS 50 1HB LYS 50 -1.671 -6.163 12.823 384 HG2 LYS 50 2HG LYS 50 -1.453 -8.532 12.330 385 HG3 LYS 50 1HG LYS 50 -0.100 -8.654 13.458 386 HD2 LYS 50 2HD LYS 50 -1.544 -8.016 15.303 387 HD3 LYS 50 1HD LYS 50 -2.896 -7.792 14.194 388 HE2 LYS 50 2HE LYS 50 -3.049 -9.921 15.380 389 HE3 LYS 50 1HE LYS 50 -2.861 -10.158 13.644 390 HZ1 LYS 50 3HZ LYS 50 -0.531 -10.220 15.462 391 HZ2 LYS 50 1HZ LYS 50 -0.677 -10.867 13.902 392 HZ3 LYS 50 2HZ LYS 50 -1.483 -11.597 15.201 393 H LEU 51 HN LEU 51 -1.538 -5.334 10.533 394 HA LEU 51 HA LEU 51 -2.144 -7.549 8.895 395 HB2 LEU 51 2HB LEU 51 -2.807 -4.625 8.614 396 HB3 LEU 51 1HB LEU 51 -3.444 -5.874 7.569 397 HG LEU 51 HG LEU 51 -3.922 -5.631 10.532 398 HD11 LEU 51 1HD1 LEU 51 -6.255 -5.238 9.839 399 HD12 LEU 51 2HD1 LEU 51 -5.720 -5.197 8.159 400 HD13 LEU 51 3HD1 LEU 51 -5.149 -3.977 9.299 401 HD21 LEU 51 3HD2 LEU 51 -3.826 -7.966 9.872 402 HD22 LEU 51 1HD2 LEU 51 -4.953 -7.658 8.552 403 HD23 LEU 51 2HD2 LEU 51 -5.488 -7.496 10.224 404 H ILE 52 HN ILE 52 -0.246 -4.601 8.314 405 HA ILE 52 HA ILE 52 0.193 -5.021 5.575 406 HB ILE 52 HB ILE 52 1.985 -3.552 7.514 407 HG12 ILE 52 2HG1 ILE 52 -0.247 -2.525 5.746 408 HG13 ILE 52 1HG1 ILE 52 -0.356 -2.740 7.488 409 HG21 ILE 52 1HG2 ILE 52 2.781 -2.348 5.537 410 HG22 ILE 52 2HG2 ILE 52 1.773 -3.364 4.507 411 HG23 ILE 52 3HG2 ILE 52 3.110 -4.076 5.413 412 HD11 ILE 52 3HD1 ILE 52 0.021 -0.417 6.899 413 HD12 ILE 52 1HD1 ILE 52 1.511 -0.860 6.068 414 HD13 ILE 52 2HD1 ILE 52 1.380 -1.070 7.815 415 H MET 53 HN MET 53 2.157 -5.988 8.391 416 HA MET 53 HA MET 53 4.272 -7.094 6.874 417 HB2 MET 53 2HB MET 53 4.988 -8.198 8.916 418 HB3 MET 53 1HB MET 53 4.500 -6.547 9.271 419 HG2 MET 53 2HG MET 53 2.395 -7.332 10.166 420 HG3 MET 53 1HG MET 53 2.803 -8.989 9.731 421 HE1 MET 53 3HE MET 53 4.967 -6.544 12.991 422 HE2 MET 53 1HE MET 53 3.665 -5.923 11.978 423 HE3 MET 53 2HE MET 53 5.247 -6.258 11.274 424 H LYS 54 HN LYS 54 1.214 -8.406 7.996 425 HA LYS 54 HA LYS 54 1.761 -11.094 7.251 426 HB2 LYS 54 2HB LYS 54 -0.685 -9.564 8.004 427 HB3 LYS 54 1HB LYS 54 -0.885 -11.116 7.202 428 HG2 LYS 54 2HG LYS 54 0.899 -10.882 9.589 429 HG3 LYS 54 1HG LYS 54 -0.848 -10.996 9.789 430 HD2 LYS 54 2HD LYS 54 0.003 -13.209 9.956 431 HD3 LYS 54 1HD LYS 54 -0.777 -13.082 8.382 432 HE2 LYS 54 2HE LYS 54 1.265 -14.263 8.076 433 HE3 LYS 54 1HE LYS 54 1.478 -12.656 7.385 434 HZ1 LYS 54 3HZ LYS 54 2.463 -13.560 10.046 435 HZ2 LYS 54 1HZ LYS 54 2.647 -11.998 9.411 436 HZ3 LYS 54 2HZ LYS 54 3.414 -13.309 8.660 437 H VAL 55 HN VAL 55 0.304 -8.344 5.573 438 HA VAL 55 HA VAL 55 -0.510 -9.699 3.249 439 HB VAL 55 HB VAL 55 0.499 -6.856 3.499 440 HG11 VAL 55 1HG1 VAL 55 -1.164 -8.126 1.324 441 HG12 VAL 55 2HG1 VAL 55 0.529 -7.656 1.184 442 HG13 VAL 55 3HG1 VAL 55 -0.708 -6.424 1.426 443 HG21 VAL 55 3HG2 VAL 55 -1.869 -6.249 3.593 444 HG22 VAL 55 1HG2 VAL 55 -1.405 -7.280 4.945 445 HG23 VAL 55 2HG2 VAL 55 -2.305 -7.957 3.588 446 H LEU 56 HN LEU 56 2.566 -8.164 4.088 447 HA LEU 56 HA LEU 56 3.793 -8.677 1.566 448 HB2 LEU 56 2HB LEU 56 5.007 -7.987 4.242 449 HB3 LEU 56 1HB LEU 56 5.878 -8.002 2.724 450 HG LEU 56 HG LEU 56 3.573 -6.170 3.392 451 HD11 LEU 56 1HD1 LEU 56 6.527 -5.601 3.167 452 HD12 LEU 56 2HD1 LEU 56 5.601 -5.663 4.667 453 HD13 LEU 56 3HD1 LEU 56 5.256 -4.415 3.471 454 HD21 LEU 56 3HD2 LEU 56 3.671 -6.680 1.014 455 HD22 LEU 56 1HD2 LEU 56 5.387 -6.273 0.982 456 HD23 LEU 56 2HD2 LEU 56 4.190 -5.021 1.314 457 H ASP 57 HN ASP 57 3.344 -10.531 4.419 458 HA ASP 57 HA ASP 57 5.588 -12.074 4.651 459 HB2 ASP 57 2HB ASP 57 3.377 -12.022 6.029 460 HB3 ASP 57 1HB ASP 57 2.896 -13.347 4.985 461 HA PRO 58 HA PRO 58 4.120 -15.356 1.502 462 HB2 PRO 58 2HB PRO 58 1.927 -14.970 -0.003 463 HB3 PRO 58 1HB PRO 58 1.833 -15.644 1.628 464 HG2 PRO 58 2HG PRO 58 1.316 -12.846 0.699 465 HG3 PRO 58 1HG PRO 58 0.396 -13.828 1.853 466 HD2 PRO 58 2HD PRO 58 2.193 -11.916 2.604 467 HD3 PRO 58 1HD PRO 58 1.812 -13.343 3.586 468 H ILE 59 HN ILE 59 4.054 -11.996 0.801 469 HA ILE 59 HA ILE 59 4.382 -12.235 -2.042 470 HB ILE 59 HB ILE 59 4.912 -9.846 -0.266 471 HG12 ILE 59 2HG1 ILE 59 2.470 -10.582 -1.902 472 HG13 ILE 59 1HG1 ILE 59 2.579 -10.649 -0.147 473 HG21 ILE 59 1HG2 ILE 59 4.687 -8.546 -2.341 474 HG22 ILE 59 2HG2 ILE 59 4.550 -10.047 -3.257 475 HG23 ILE 59 3HG2 ILE 59 6.047 -9.666 -2.408 476 HD11 ILE 59 3HD1 ILE 59 2.765 -8.176 -1.847 477 HD12 ILE 59 1HD1 ILE 59 2.931 -8.225 -0.091 478 HD13 ILE 59 2HD1 ILE 59 1.399 -8.667 -0.845 479 H TRP 60 HN TRP 60 6.510 -11.890 0.745 480 HA TRP 60 HA TRP 60 8.916 -11.444 -0.638 481 HB2 TRP 60 2HB TRP 60 8.348 -12.780 2.009 482 HB3 TRP 60 1HB TRP 60 9.983 -12.577 1.392 483 HD1 TRP 60 1HD TRP 60 7.348 -10.797 3.327 484 HE1 TRP 60 1HE TRP 60 8.093 -8.384 3.818 485 HE3 TRP 60 3HE TRP 60 11.367 -10.537 0.185 486 HZ2 TRP 60 2HZ TRP 60 10.116 -6.603 2.984 487 HZ3 TRP 60 3HZ TRP 60 12.658 -8.445 0.094 488 HH2 TRP 60 2HH TRP 60 12.045 -6.518 1.464 489 H GLU 61 HN GLU 61 7.014 -14.301 -0.207 490 HA GLU 61 HA GLU 61 9.018 -16.168 -0.977 491 HB2 GLU 61 2HB GLU 61 6.009 -16.303 -0.806 492 HB3 GLU 61 1HB GLU 61 7.030 -17.669 -1.187 493 HG2 GLU 61 2HG GLU 61 7.156 -16.086 1.358 494 HG3 GLU 61 1HG GLU 61 6.339 -17.635 1.158 495 H GLN 62 HN GLN 62 6.232 -14.666 -2.564 496 HA GLN 62 HA GLN 62 6.699 -15.907 -5.084 497 HB2 GLN 62 2HB GLN 62 4.617 -14.536 -3.867 498 HB3 GLN 62 1HB GLN 62 5.145 -13.439 -5.134 499 HG2 GLN 62 2HG GLN 62 4.512 -16.323 -5.668 500 HG3 GLN 62 1HG GLN 62 3.287 -15.061 -5.693 501 HE21 GLN 62 1HE2 GLN 62 2.837 -15.335 -7.865 502 HE22 GLN 62 2HE2 GLN 62 3.936 -14.862 -9.118 503 H LYS 63 HN LYS 63 6.845 -12.473 -4.116 504 HA LYS 63 HA LYS 63 8.963 -12.047 -6.110 505 HB2 LYS 63 2HB LYS 63 6.456 -10.395 -5.758 506 HB3 LYS 63 1HB LYS 63 7.841 -9.883 -6.704 507 HG2 LYS 63 2HG LYS 63 6.484 -12.467 -7.339 508 HG3 LYS 63 1HG LYS 63 5.777 -10.938 -7.868 509 HD2 LYS 63 2HD LYS 63 7.087 -11.585 -9.679 510 HD3 LYS 63 1HD LYS 63 8.113 -10.435 -8.826 511 HE2 LYS 63 2HE LYS 63 9.484 -12.278 -9.429 512 HE3 LYS 63 1HE LYS 63 9.197 -12.399 -7.694 513 HZ1 LYS 63 3HZ LYS 63 7.491 -14.053 -8.124 514 HZ2 LYS 63 1HZ LYS 63 8.970 -14.541 -8.792 515 HZ3 LYS 63 2HZ LYS 63 7.751 -13.929 -9.794 516 HA PRO 64 HA PRO 64 10.189 -10.323 -1.990 517 HB2 PRO 64 2HB PRO 64 12.878 -10.534 -2.545 518 HB3 PRO 64 1HB PRO 64 11.915 -11.802 -1.781 519 HG2 PRO 64 2HG PRO 64 12.738 -11.509 -4.641 520 HG3 PRO 64 1HG PRO 64 12.684 -12.967 -3.634 521 HD2 PRO 64 2HD PRO 64 10.773 -12.433 -5.441 522 HD3 PRO 64 1HD PRO 64 10.393 -13.208 -3.889 523 H GLU 65 HN GLU 65 11.193 -9.560 -5.241 524 HA GLU 65 HA GLU 65 12.326 -7.014 -4.684 525 HB2 GLU 65 2HB GLU 65 12.923 -8.155 -6.708 526 HB3 GLU 65 1HB GLU 65 11.246 -8.295 -7.189 527 HG2 GLU 65 2HG GLU 65 12.401 -5.578 -6.846 528 HG3 GLU 65 1HG GLU 65 12.844 -6.519 -8.269 529 H THR 66 HN THR 66 9.159 -8.143 -5.696 530 HA THR 66 HA THR 66 8.045 -5.557 -6.065 531 HB THR 66 HB THR 66 6.614 -8.196 -5.718 532 HG1 THR 66 1HG THR 66 8.266 -7.292 -7.667 533 HG21 THR 66 3HG2 THR 66 5.125 -6.265 -5.538 534 HG22 THR 66 1HG2 THR 66 4.846 -7.121 -7.054 535 HG23 THR 66 2HG2 THR 66 5.764 -5.615 -7.048 536 H ALA 67 HN ALA 67 8.230 -7.798 -3.384 537 HA ALA 67 HA ALA 67 6.248 -6.786 -1.717 538 HB1 ALA 67 1HB ALA 67 7.467 -8.837 -1.233 539 HB2 ALA 67 2HB ALA 67 7.543 -7.729 0.136 540 HB3 ALA 67 3HB ALA 67 8.936 -7.907 -0.930 541 H SER 68 HN SER 68 9.587 -5.696 -2.166 542 HA SER 68 HA SER 68 9.491 -3.664 -0.187 543 HB2 SER 68 2HB SER 68 11.287 -3.858 -2.617 544 HB3 SER 68 1HB SER 68 11.582 -2.891 -1.172 545 HG SER 68 HG SER 68 12.723 -4.725 -0.858 546 H ARG 69 HN ARG 69 8.861 -3.751 -3.660 547 HA ARG 69 HA ARG 69 8.638 -0.964 -4.031 548 HB2 ARG 69 2HB ARG 69 7.501 -3.248 -5.639 549 HB3 ARG 69 1HB ARG 69 7.599 -1.584 -6.171 550 HG2 ARG 69 2HG ARG 69 10.174 -2.359 -5.329 551 HG3 ARG 69 1HG ARG 69 9.535 -3.628 -6.373 552 HD2 ARG 69 2HD ARG 69 10.660 -2.062 -7.754 553 HD3 ARG 69 1HD ARG 69 8.933 -1.856 -8.021 554 HE ARG 69 HE ARG 69 10.403 -0.089 -6.173 555 HH11 ARG 69 1HH1 ARG 69 8.410 -0.544 -9.018 556 HH12 ARG 69 2HH1 ARG 69 8.066 1.151 -9.206 557 HH21 ARG 69 1HH2 ARG 69 9.984 2.144 -6.439 558 HH22 ARG 69 2HH2 ARG 69 8.997 2.678 -7.767 559 H LEU 70 HN LEU 70 6.336 -3.501 -3.245 560 HA LEU 70 HA LEU 70 3.960 -2.058 -3.636 561 HB2 LEU 70 2HB LEU 70 4.075 -4.509 -3.381 562 HB3 LEU 70 1HB LEU 70 4.477 -4.305 -1.687 563 HG LEU 70 HG LEU 70 2.273 -3.209 -1.336 564 HD11 LEU 70 1HD1 LEU 70 1.776 -4.055 -4.188 565 HD12 LEU 70 2HD1 LEU 70 1.895 -2.397 -3.598 566 HD13 LEU 70 3HD1 LEU 70 0.561 -3.425 -3.073 567 HD21 LEU 70 3HD2 LEU 70 2.569 -5.568 -0.852 568 HD22 LEU 70 1HD2 LEU 70 2.205 -5.977 -2.528 569 HD23 LEU 70 2HD2 LEU 70 0.955 -5.272 -1.502 570 H ARG 71 HN ARG 71 6.173 -2.225 -0.925 571 HA ARG 71 HA ARG 71 4.609 -1.161 1.109 572 HB2 ARG 71 2HB ARG 71 6.966 -2.063 1.315 573 HB3 ARG 71 1HB ARG 71 7.537 -0.525 0.679 574 HG2 ARG 71 2HG ARG 71 6.277 0.559 2.606 575 HG3 ARG 71 1HG ARG 71 6.138 -1.065 3.282 576 HD2 ARG 71 2HD ARG 71 8.701 0.385 2.613 577 HD3 ARG 71 1HD ARG 71 8.046 0.124 4.226 578 HE ARG 71 HE ARG 71 8.576 -2.269 2.679 579 HH11 ARG 71 1HH1 ARG 71 9.705 -0.016 5.107 580 HH12 ARG 71 2HH1 ARG 71 10.962 -1.062 5.699 581 HH21 ARG 71 1HH2 ARG 71 10.238 -3.672 3.464 582 HH22 ARG 71 2HH2 ARG 71 11.265 -3.141 4.757 583 H GLY 72 HN GLY 72 6.322 0.444 -1.513 584 HA2 GLY 72 2HA GLY 72 5.998 3.107 -0.599 585 HA3 GLY 72 1HA GLY 72 6.330 2.617 -2.253 586 H ARG 73 HN ARG 73 3.969 1.011 -2.584 587 HA ARG 73 HA ARG 73 2.128 3.075 -3.294 588 HB2 ARG 73 2HB ARG 73 1.915 0.066 -3.367 589 HB3 ARG 73 1HB ARG 73 0.616 1.130 -3.892 590 HG2 ARG 73 2HG ARG 73 2.181 2.136 -5.531 591 HG3 ARG 73 1HG ARG 73 3.380 0.931 -5.062 592 HD2 ARG 73 2HD ARG 73 1.877 -0.856 -5.758 593 HD3 ARG 73 1HD ARG 73 0.645 0.332 -6.179 594 HE ARG 73 HE ARG 73 2.031 1.053 -7.990 595 HH11 ARG 73 1HH1 ARG 73 3.106 -1.854 -6.387 596 HH12 ARG 73 2HH1 ARG 73 4.093 -2.393 -7.712 597 HH21 ARG 73 1HH2 ARG 73 3.308 0.353 -9.764 598 HH22 ARG 73 2HH2 ARG 73 4.222 -1.117 -9.634 599 H ILE 74 HN ILE 74 2.156 0.509 -0.852 600 HA ILE 74 HA ILE 74 -0.324 1.087 0.316 601 HB ILE 74 HB ILE 74 2.149 0.009 1.690 602 HG12 ILE 74 2HG1 ILE 74 -0.134 -1.476 0.359 603 HG13 ILE 74 1HG1 ILE 74 1.483 -1.292 -0.316 604 HG21 ILE 74 1HG2 ILE 74 -0.769 -0.166 2.451 605 HG22 ILE 74 2HG2 ILE 74 0.484 0.750 3.289 606 HG23 ILE 74 3HG2 ILE 74 0.549 -1.012 3.261 607 HD11 ILE 74 3HD1 ILE 74 0.792 -2.715 2.245 608 HD12 ILE 74 1HD1 ILE 74 2.407 -2.546 1.555 609 HD13 ILE 74 2HD1 ILE 74 1.178 -3.475 0.700 610 H GLU 75 HN GLU 75 2.914 2.369 0.939 611 HA GLU 75 HA GLU 75 2.331 3.957 3.153 612 HB2 GLU 75 2HB GLU 75 4.610 3.534 2.451 613 HB3 GLU 75 1HB GLU 75 4.337 4.370 0.933 614 HG2 GLU 75 2HG GLU 75 3.931 6.454 2.220 615 HG3 GLU 75 1HG GLU 75 4.383 5.584 3.684 616 H SER 76 HN SER 76 2.297 4.763 -0.280 617 HA SER 76 HA SER 76 1.670 7.468 0.007 618 HB2 SER 76 2HB SER 76 0.994 5.655 -2.301 619 HB3 SER 76 1HB SER 76 1.097 7.412 -2.359 620 HG SER 76 HG SER 76 3.163 5.509 -2.063 621 H VAL 77 HN VAL 77 -0.415 4.637 -0.265 622 HA VAL 77 HA VAL 77 -2.843 6.114 -0.432 623 HB VAL 77 HB VAL 77 -2.382 3.241 0.393 624 HG11 VAL 77 1HG1 VAL 77 -4.940 4.641 -0.397 625 HG12 VAL 77 2HG1 VAL 77 -4.534 4.055 1.216 626 HG13 VAL 77 3HG1 VAL 77 -4.764 2.911 -0.105 627 HG21 VAL 77 3HG2 VAL 77 -3.093 2.714 -1.896 628 HG22 VAL 77 1HG2 VAL 77 -1.630 3.699 -1.878 629 HG23 VAL 77 2HG2 VAL 77 -3.186 4.437 -2.258 630 H LEU 78 HN LEU 78 -1.149 4.482 2.248 631 HA LEU 78 HA LEU 78 -3.165 5.064 4.159 632 HB2 LEU 78 2HB LEU 78 -0.276 4.275 4.472 633 HB3 LEU 78 1HB LEU 78 -1.362 4.494 5.829 634 HG LEU 78 HG LEU 78 -1.663 2.455 3.622 635 HD11 LEU 78 1HD1 LEU 78 -1.020 2.154 6.551 636 HD12 LEU 78 2HD1 LEU 78 0.099 1.910 5.208 637 HD13 LEU 78 3HD1 LEU 78 -1.283 0.833 5.411 638 HD21 LEU 78 3HD2 LEU 78 -3.567 1.624 4.914 639 HD22 LEU 78 1HD2 LEU 78 -3.835 3.281 4.368 640 HD23 LEU 78 2HD2 LEU 78 -3.387 2.966 6.044 641 H ASP 79 HN ASP 79 -0.178 6.713 3.225 642 HA ASP 79 HA ASP 79 -0.181 8.725 5.172 643 HB2 ASP 79 2HB ASP 79 1.692 8.368 3.631 644 HB3 ASP 79 1HB ASP 79 0.691 8.854 2.269 645 H TRP 80 HN TRP 80 -1.712 8.614 1.988 646 HA TRP 80 HA TRP 80 -2.930 11.138 2.042 647 HB2 TRP 80 2HB TRP 80 -2.629 9.715 0.026 648 HB3 TRP 80 1HB TRP 80 -3.861 8.624 0.641 649 HD1 TRP 80 1HD TRP 80 -3.502 12.227 -0.693 650 HE1 TRP 80 1HE TRP 80 -5.763 12.939 -1.701 651 HE3 TRP 80 3HE TRP 80 -6.292 8.158 0.654 652 HZ2 TRP 80 2HZ TRP 80 -8.386 11.896 -1.896 653 HZ3 TRP 80 3HZ TRP 80 -8.670 8.100 0.022 654 HH2 TRP 80 2HH TRP 80 -9.692 9.934 -1.222 655 H ALA 81 HN ALA 81 -4.188 7.930 2.909 656 HA ALA 81 HA ALA 81 -6.794 8.741 3.573 657 HB1 ALA 81 1HB ALA 81 -7.009 6.591 4.668 658 HB2 ALA 81 2HB ALA 81 -5.258 6.389 4.664 659 HB3 ALA 81 3HB ALA 81 -6.144 6.416 3.139 660 H THR 82 HN THR 82 -3.852 8.567 5.523 661 HA THR 82 HA THR 82 -5.092 8.986 8.028 662 HB THR 82 HB THR 82 -2.263 9.680 7.205 663 HG1 THR 82 1HG THR 82 -2.533 7.508 6.883 664 HG21 THR 82 3HG2 THR 82 -2.925 10.735 9.318 665 HG22 THR 82 1HG2 THR 82 -1.745 9.455 9.591 666 HG23 THR 82 2HG2 THR 82 -3.452 9.171 9.937 667 H VAL 83 HN VAL 83 -3.645 11.232 5.688 668 HA VAL 83 HA VAL 83 -4.097 13.568 7.226 669 HB VAL 83 HB VAL 83 -3.789 13.274 4.227 670 HG11 VAL 83 1HG1 VAL 83 -3.548 15.724 5.978 671 HG12 VAL 83 2HG1 VAL 83 -4.812 15.411 4.790 672 HG13 VAL 83 3HG1 VAL 83 -3.147 15.651 4.261 673 HG21 VAL 83 3HG2 VAL 83 -1.755 13.916 6.366 674 HG22 VAL 83 1HG2 VAL 83 -1.451 13.902 4.628 675 HG23 VAL 83 2HG2 VAL 83 -1.871 12.406 5.463 676 H ARG 84 HN ARG 84 -6.065 11.742 4.973 677 HA ARG 84 HA ARG 84 -8.062 13.781 4.681 678 HB2 ARG 84 2HB ARG 84 -8.000 10.871 3.896 679 HB3 ARG 84 1HB ARG 84 -9.370 11.924 3.576 680 HG2 ARG 84 2HG ARG 84 -6.568 12.355 2.563 681 HG3 ARG 84 1HG ARG 84 -7.912 11.695 1.628 682 HD2 ARG 84 2HD ARG 84 -7.851 14.434 2.892 683 HD3 ARG 84 1HD ARG 84 -7.532 14.092 1.193 684 HE ARG 84 HE ARG 84 -9.934 13.047 1.379 685 HH11 ARG 84 1HH1 ARG 84 -8.788 16.015 2.848 686 HH12 ARG 84 2HH1 ARG 84 -10.332 16.810 2.749 687 HH21 ARG 84 1HH2 ARG 84 -11.959 14.060 1.264 688 HH22 ARG 84 2HH2 ARG 84 -12.152 15.681 1.858 689 H GLY 85 HN GLY 85 -7.333 11.746 7.205 690 HA2 GLY 85 2HA GLY 85 -8.430 11.791 9.263 691 HA3 GLY 85 1HA GLY 85 -9.843 12.469 8.473 692 H TYR 86 HN TYR 86 -8.638 9.709 6.895 693 HA TYR 86 HA TYR 86 -10.938 8.178 7.727 694 HB2 TYR 86 2HB TYR 86 -8.645 7.500 5.870 695 HB3 TYR 86 1HB TYR 86 -9.997 6.421 6.193 696 HD1 TYR 86 1HD TYR 86 -12.377 7.679 5.936 697 HD2 TYR 86 2HD TYR 86 -8.779 8.728 3.925 698 HE1 TYR 86 1HE TYR 86 -13.692 8.786 4.181 699 HE2 TYR 86 2HE TYR 86 -10.083 9.847 2.166 700 HH TYR 86 HH TYR 86 -13.379 10.576 2.506 701 H ARG 87 HN ARG 87 -7.678 8.504 8.651 702 HA ARG 87 HA ARG 87 -8.131 6.850 10.942 703 HB2 ARG 87 2HB ARG 87 -6.196 5.387 10.643 704 HB3 ARG 87 1HB ARG 87 -7.351 5.143 9.342 705 HG2 ARG 87 2HG ARG 87 -5.986 6.499 7.855 706 HG3 ARG 87 1HG ARG 87 -4.832 6.784 9.159 707 HD2 ARG 87 2HD ARG 87 -5.504 4.146 7.859 708 HD3 ARG 87 1HD ARG 87 -3.986 5.036 7.735 709 HE ARG 87 HE ARG 87 -4.867 3.364 9.924 710 HH11 ARG 87 1HH1 ARG 87 -2.696 5.941 8.958 711 HH12 ARG 87 2HH1 ARG 87 -1.525 5.588 10.191 712 HH21 ARG 87 1HH2 ARG 87 -3.332 2.892 11.546 713 HH22 ARG 87 2HH2 ARG 87 -1.871 3.835 11.646 714 H GLU 88 HN GLU 88 -6.553 7.293 12.597 715 HA GLU 88 HA GLU 88 -5.124 9.802 12.033 716 HB2 GLU 88 2HB GLU 88 -6.199 8.796 14.671 717 HB3 GLU 88 1HB GLU 88 -5.316 10.298 14.438 718 HG2 GLU 88 2HG GLU 88 -7.410 11.133 14.380 719 HG3 GLU 88 1HG GLU 88 -7.261 10.708 12.677 720 H GLY 89 HN GLY 89 -3.232 10.204 13.470 721 HA2 GLY 89 2HA GLY 89 -1.389 9.332 14.724 722 HA3 GLY 89 1HA GLY 89 -1.766 7.732 14.096 723 H ASP 90 HN ASP 90 0.215 7.306 13.237 724 HA ASP 90 HA ASP 90 0.955 8.958 10.923 725 HB2 ASP 90 2HB ASP 90 2.653 7.339 12.826 726 HB3 ASP 90 1HB ASP 90 3.246 7.898 11.271 727 H ASN 91 HN ASN 91 2.518 7.250 9.523 728 HA ASN 91 HA ASN 91 0.560 5.200 8.780 729 HB2 ASN 91 2HB ASN 91 1.236 6.606 6.968 730 HB3 ASN 91 1HB ASN 91 2.933 6.453 7.389 731 HD21 ASN 91 1HD2 ASN 91 3.345 5.893 5.237 732 HD22 ASN 91 2HD2 ASN 91 3.043 4.296 4.663 733 HA PRO 92 HA PRO 92 3.191 2.092 10.614 734 HB2 PRO 92 2HB PRO 92 1.605 0.057 9.299 735 HB3 PRO 92 1HB PRO 92 1.641 0.504 11.005 736 HG2 PRO 92 2HG PRO 92 -0.496 0.955 9.375 737 HG3 PRO 92 1HG PRO 92 -0.119 1.940 10.798 738 HD2 PRO 92 2HD PRO 92 0.405 2.504 7.909 739 HD3 PRO 92 1HD PRO 92 -0.140 3.602 9.195 740 H ALA 93 HN ALA 93 2.628 2.338 7.194 741 HA ALA 93 HA ALA 93 4.315 0.111 6.474 742 HB1 ALA 93 1HB ALA 93 2.400 0.769 5.090 743 HB2 ALA 93 2HB ALA 93 3.908 0.799 4.178 744 HB3 ALA 93 3HB ALA 93 3.189 2.308 4.740 745 H ARG 94 HN ARG 94 5.099 2.983 7.741 746 HA ARG 94 HA ARG 94 7.214 3.833 6.005 747 HB2 ARG 94 2HB ARG 94 5.898 5.228 7.717 748 HB3 ARG 94 1HB ARG 94 6.930 4.493 8.933 749 HG2 ARG 94 2HG ARG 94 7.801 6.647 8.366 750 HG3 ARG 94 1HG ARG 94 8.902 5.412 7.754 751 HD2 ARG 94 2HD ARG 94 8.282 5.772 5.545 752 HD3 ARG 94 1HD ARG 94 6.756 6.534 5.995 753 HE ARG 94 HE ARG 94 8.975 8.047 6.928 754 HH11 ARG 94 1HH1 ARG 94 7.249 7.266 3.965 755 HH12 ARG 94 2HH1 ARG 94 7.529 8.834 3.264 756 HH21 ARG 94 1HH2 ARG 94 9.344 10.083 5.980 757 HH22 ARG 94 2HH2 ARG 94 8.704 10.429 4.400 758 H TRP 95 HN TRP 95 7.300 2.621 9.345 759 HA TRP 95 HA TRP 95 8.600 1.160 10.452 760 HB2 TRP 95 2HB TRP 95 8.992 0.254 7.670 761 HB3 TRP 95 1HB TRP 95 10.189 -0.283 8.847 762 HD1 TRP 95 1HD TRP 95 8.798 -1.202 11.264 763 HE1 TRP 95 1HE TRP 95 6.959 -2.999 11.298 764 HE3 TRP 95 3HE TRP 95 7.289 -0.888 6.389 765 HZ2 TRP 95 2HZ TRP 95 5.108 -4.132 9.480 766 HZ3 TRP 95 3HZ TRP 95 5.480 -2.365 5.618 767 HH2 TRP 95 2HH TRP 95 4.414 -3.952 7.133 768 H ARG 96 HN ARG 96 10.200 1.701 11.676 769 HA ARG 96 HA ARG 96 12.354 3.376 10.817 770 HB2 ARG 96 2HB ARG 96 11.879 1.795 13.349 771 HB3 ARG 96 1HB ARG 96 13.263 2.848 13.110 772 HG2 ARG 96 2HG ARG 96 10.401 3.766 12.982 773 HG3 ARG 96 1HG ARG 96 11.415 3.858 14.422 774 HD2 ARG 96 2HD ARG 96 12.993 5.288 13.232 775 HD3 ARG 96 1HD ARG 96 12.006 5.176 11.775 776 HE ARG 96 HE ARG 96 10.209 6.249 13.216 777 HH11 ARG 96 1HH1 ARG 96 13.639 6.841 13.682 778 HH12 ARG 96 2HH1 ARG 96 13.394 8.417 14.374 779 HH21 ARG 96 1HH2 ARG 96 9.897 8.308 14.115 780 HH22 ARG 96 2HH2 ARG 96 11.266 9.263 14.588 781 H GLY 97 HN GLY 97 11.822 -0.032 11.226 782 HA2 GLY 97 2HA GLY 97 13.597 -0.955 9.393 783 HA3 GLY 97 1HA GLY 97 14.580 -0.767 10.838 784 H TYR 98 HN TYR 98 11.640 -2.309 9.602 785 HA TYR 98 HA TYR 98 11.360 -4.067 11.828 786 HB2 TYR 98 2HB TYR 98 9.466 -3.481 10.363 787 HB3 TYR 98 1HB TYR 98 10.242 -4.325 9.028 788 HD1 TYR 98 2HD TYR 98 9.209 -5.005 12.559 789 HD2 TYR 98 1HD TYR 98 9.504 -6.472 8.579 790 HE1 TYR 98 2HE TYR 98 8.122 -7.100 13.258 791 HE2 TYR 98 1HE TYR 98 8.413 -8.563 9.266 792 HH TYR 98 HH TYR 98 8.033 -9.879 11.236 793 H LEU 99 HN LEU 99 12.770 -4.362 8.608 794 HA LEU 99 HA LEU 99 13.997 -6.901 9.427 795 HB2 LEU 99 2HB LEU 99 13.398 -5.840 6.662 796 HB3 LEU 99 1HB LEU 99 14.237 -7.338 7.001 797 HG LEU 99 HG LEU 99 11.389 -6.758 7.808 798 HD11 LEU 99 1HD1 LEU 99 12.468 -8.408 5.530 799 HD12 LEU 99 2HD1 LEU 99 11.579 -6.891 5.393 800 HD13 LEU 99 3HD1 LEU 99 10.777 -8.327 6.029 801 HD21 LEU 99 3HD2 LEU 99 12.497 -8.356 9.275 802 HD22 LEU 99 1HD2 LEU 99 13.005 -9.303 7.877 803 HD23 LEU 99 2HD2 LEU 99 11.290 -9.160 8.270 804 H GLU 100 HN GLU 100 14.653 -4.289 7.098 805 HA GLU 100 HA GLU 100 17.448 -4.286 8.016 806 HB2 GLU 100 2HB GLU 100 16.243 -3.430 5.384 807 HB3 GLU 100 1HB GLU 100 17.920 -3.155 5.828 808 HG2 GLU 100 2HG GLU 100 18.283 -5.561 5.965 809 HG3 GLU 100 1HG GLU 100 16.593 -5.839 5.531 810 H HIS 101 HN HIS 101 18.469 -2.350 8.444 811 HA HIS 101 HA HIS 101 16.834 0.091 8.286 812 HB2 HIS 101 2HB HIS 101 17.216 -0.544 10.650 813 HB3 HIS 101 1HB HIS 101 18.952 -0.559 10.361 814 HD1 HIS 101 1HD HIS 101 16.032 1.806 10.672 815 HD2 HIS 101 2HD HIS 101 20.189 1.927 10.448 816 HE1 HIS 101 1HE HIS 101 16.675 4.172 11.228 817 HE2 HIS 101 2HE HIS 101 19.193 4.201 11.205 818 H HIS 102 HN HIS 102 17.580 0.939 6.419 819 HA HIS 102 HA HIS 102 20.398 0.652 5.750 820 HB2 HIS 102 2HB HIS 102 17.960 1.505 4.242 821 HB3 HIS 102 1HB HIS 102 19.548 1.970 3.643 822 HD1 HIS 102 1HD HIS 102 20.590 0.345 2.109 823 HD2 HIS 102 2HD HIS 102 17.806 -1.452 4.618 824 HE1 HIS 102 1HE HIS 102 20.495 -2.064 1.396 825 HE2 HIS 102 2HE HIS 102 18.953 -3.172 3.058 826 H HIS 103 HN HIS 103 21.852 2.261 5.545 827 HA HIS 103 HA HIS 103 21.291 4.775 6.846 828 HB2 HIS 103 2HB HIS 103 23.538 3.306 6.637 829 HB3 HIS 103 1HB HIS 103 23.784 4.373 5.260 830 HD1 HIS 103 1HD HIS 103 25.670 4.470 7.693 831 HD2 HIS 103 2HD HIS 103 22.339 6.923 7.219 832 HE1 HIS 103 1HE HIS 103 26.108 6.502 9.112 833 HE2 HIS 103 2HE HIS 103 24.161 8.042 8.674 834 H HIS 104 HN HIS 104 21.216 6.808 5.831 835 HA HIS 104 HA HIS 104 19.771 7.003 3.508 836 HB2 HIS 104 2HB HIS 104 20.063 8.834 5.156 837 HB3 HIS 104 1HB HIS 104 21.692 9.098 4.545 838 HD1 HIS 104 1HD HIS 104 21.936 10.474 2.419 839 HD2 HIS 104 2HD HIS 104 17.986 9.594 3.369 840 HE1 HIS 104 1HE HIS 104 20.541 11.871 0.863 841 HE2 HIS 104 2HE HIS 104 18.160 11.452 1.576 842 H HIS 105 HN HIS 105 23.271 7.573 3.825 843 HA HIS 105 HA HIS 105 24.987 7.456 2.347 844 HB2 HIS 105 2HB HIS 105 24.172 5.327 1.534 845 HB3 HIS 105 1HB HIS 105 22.954 6.121 0.545 846 HD1 HIS 105 1HD HIS 105 23.701 7.080 -1.714 847 HD2 HIS 105 2HD HIS 105 26.803 5.413 0.494 848 HE1 HIS 105 1HE HIS 105 25.643 6.913 -3.299 849 HE2 HIS 105 2HE HIS 105 27.532 5.947 -1.935 850 H HIS 106 HN HIS 106 25.892 8.971 1.033 851 HA HIS 106 HA HIS 106 24.102 11.055 0.065 852 HB2 HIS 106 2HB HIS 106 26.147 11.637 1.386 853 HB3 HIS 106 1HB HIS 106 27.129 11.008 0.066 854 HD1 HIS 106 1HD HIS 106 27.736 12.643 -1.725 855 HD2 HIS 106 2HD HIS 106 24.482 13.910 0.538 856 HE1 HIS 106 1HE HIS 106 27.214 14.969 -2.525 857 HE2 HIS 106 2HE HIS 106 25.141 15.647 -1.265 Start of MODEL 17 1 H1 MET 1 H1 MET 1 -15.074 3.559 6.147 2 H2 MET 1 H2 MET 1 -14.920 5.238 5.995 3 H3 MET 1 H3 MET 1 -13.716 4.344 6.782 4 HA MET 1 HA MET 1 -14.430 4.045 3.926 5 HB2 MET 1 2HB MET 1 -13.418 6.261 4.469 6 HB3 MET 1 1HB MET 1 -12.029 5.422 5.147 7 HG2 MET 1 2HG MET 1 -11.518 6.179 2.926 8 HG3 MET 1 1HG MET 1 -11.589 4.419 2.952 9 HE1 MET 1 2HE MET 1 -13.640 7.694 2.062 10 HE2 MET 1 3HE MET 1 -14.730 6.751 3.075 11 HE3 MET 1 1HE MET 1 -15.095 6.981 1.365 12 H THR 2 HN THR 2 -13.629 2.244 3.027 13 HA THR 2 HA THR 2 -11.904 0.556 4.673 14 HB THR 2 HB THR 2 -12.338 -1.204 3.001 15 HG1 THR 2 1HG THR 2 -14.188 0.581 1.785 16 HG21 THR 2 3HG2 THR 2 -14.822 0.203 3.981 17 HG22 THR 2 1HG2 THR 2 -13.871 -0.977 4.880 18 HG23 THR 2 2HG2 THR 2 -14.748 -1.472 3.431 19 H PHE 3 HN PHE 3 -10.154 -0.669 3.440 20 HA PHE 3 HA PHE 3 -8.291 1.266 2.561 21 HB2 PHE 3 2HB PHE 3 -7.649 -0.838 3.702 22 HB3 PHE 3 1HB PHE 3 -8.134 -1.740 2.271 23 HD1 PHE 3 2HD PHE 3 -5.803 0.901 3.433 24 HD2 PHE 3 1HD PHE 3 -6.617 -2.109 0.538 25 HE1 PHE 3 2HE PHE 3 -3.549 1.202 2.491 26 HE2 PHE 3 1HE PHE 3 -4.367 -1.809 -0.412 27 HZ PHE 3 HZ PHE 3 -2.830 -0.153 0.564 28 H SER 4 HN SER 4 -10.240 -1.138 0.847 29 HA SER 4 HA SER 4 -9.119 -0.733 -1.705 30 HB2 SER 4 2HB SER 4 -11.921 -1.619 -0.968 31 HB3 SER 4 1HB SER 4 -11.202 -1.758 -2.572 32 HG SER 4 HG SER 4 -10.498 -3.604 -1.878 33 H GLU 5 HN GLU 5 -11.884 0.780 -0.092 34 HA GLU 5 HA GLU 5 -12.671 2.414 -2.251 35 HB2 GLU 5 2HB GLU 5 -13.083 2.655 0.728 36 HB3 GLU 5 1HB GLU 5 -13.854 3.706 -0.444 37 HG2 GLU 5 2HG GLU 5 -14.994 1.820 -1.430 38 HG3 GLU 5 1HG GLU 5 -14.168 0.723 -0.326 39 H CYS 6 HN CYS 6 -10.616 2.999 0.563 40 HA CYS 6 HA CYS 6 -10.067 5.710 0.101 41 HB2 CYS 6 2HB CYS 6 -9.565 4.330 2.170 42 HB3 CYS 6 1HB CYS 6 -8.157 3.719 1.324 43 HG CYS 6 HG CYS 6 -7.262 6.505 0.923 44 H ALA 7 HN ALA 7 -8.312 2.792 -0.858 45 HA ALA 7 HA ALA 7 -6.224 4.023 -2.267 46 HB1 ALA 7 1HB ALA 7 -5.915 1.882 -3.394 47 HB2 ALA 7 2HB ALA 7 -7.497 1.346 -2.831 48 HB3 ALA 7 3HB ALA 7 -6.207 1.654 -1.671 49 H ALA 8 HN ALA 8 -9.402 2.892 -3.409 50 HA ALA 8 HA ALA 8 -9.071 3.579 -6.107 51 HB1 ALA 8 1HB ALA 8 -11.626 3.540 -4.501 52 HB2 ALA 8 2HB ALA 8 -10.894 2.152 -5.305 53 HB3 ALA 8 3HB ALA 8 -11.502 3.502 -6.262 54 H LEU 9 HN LEU 9 -10.300 5.456 -3.370 55 HA LEU 9 HA LEU 9 -10.963 7.772 -4.832 56 HB2 LEU 9 2HB LEU 9 -10.211 7.403 -1.936 57 HB3 LEU 9 1HB LEU 9 -10.755 8.927 -2.605 58 HG LEU 9 HG LEU 9 -12.359 6.375 -2.474 59 HD11 LEU 9 1HD1 LEU 9 -12.108 7.446 -0.308 60 HD12 LEU 9 2HD1 LEU 9 -13.758 7.639 -0.904 61 HD13 LEU 9 3HD1 LEU 9 -12.623 8.987 -0.992 62 HD21 LEU 9 3HD2 LEU 9 -12.877 7.676 -4.484 63 HD22 LEU 9 1HD2 LEU 9 -13.142 9.107 -3.488 64 HD23 LEU 9 2HD2 LEU 9 -14.211 7.714 -3.329 65 H TYR 10 HN TYR 10 -7.974 6.765 -3.220 66 HA TYR 10 HA TYR 10 -6.447 9.072 -3.624 67 HB2 TYR 10 2HB TYR 10 -5.577 7.302 -2.265 68 HB3 TYR 10 1HB TYR 10 -5.670 6.152 -3.588 69 HD1 TYR 10 1HD TYR 10 -3.835 9.093 -2.302 70 HD2 TYR 10 2HD TYR 10 -3.912 5.964 -5.190 71 HE1 TYR 10 1HE TYR 10 -1.508 9.602 -2.911 72 HE2 TYR 10 2HE TYR 10 -1.584 6.462 -5.802 73 HH TYR 10 HH TYR 10 0.448 8.331 -3.937 74 H ILE 11 HN ILE 11 -6.828 6.229 -5.686 75 HA ILE 11 HA ILE 11 -5.232 7.056 -7.829 76 HB ILE 11 HB ILE 11 -7.641 5.230 -7.787 77 HG12 ILE 11 2HG1 ILE 11 -4.670 4.659 -7.830 78 HG13 ILE 11 1HG1 ILE 11 -5.703 4.547 -6.411 79 HG21 ILE 11 1HG2 ILE 11 -7.308 6.078 -10.047 80 HG22 ILE 11 2HG2 ILE 11 -6.866 4.374 -9.945 81 HG23 ILE 11 3HG2 ILE 11 -5.609 5.610 -9.982 82 HD11 ILE 11 3HD1 ILE 11 -5.231 2.365 -7.378 83 HD12 ILE 11 1HD1 ILE 11 -5.965 2.876 -8.898 84 HD13 ILE 11 2HD1 ILE 11 -6.951 2.742 -7.443 85 H LYS 12 HN LYS 12 -8.746 7.449 -7.309 86 HA LYS 12 HA LYS 12 -9.186 8.787 -9.773 87 HB2 LYS 12 2HB LYS 12 -10.857 8.629 -7.269 88 HB3 LYS 12 1HB LYS 12 -11.399 9.396 -8.757 89 HG2 LYS 12 2HG LYS 12 -11.037 7.231 -9.927 90 HG3 LYS 12 1HG LYS 12 -10.683 6.500 -8.362 91 HD2 LYS 12 2HD LYS 12 -12.916 7.098 -7.570 92 HD3 LYS 12 1HD LYS 12 -13.268 7.862 -9.123 93 HE2 LYS 12 2HE LYS 12 -12.931 5.695 -10.237 94 HE3 LYS 12 1HE LYS 12 -12.645 4.946 -8.669 95 HZ1 LYS 12 3HZ LYS 12 -15.166 6.214 -9.594 96 HZ2 LYS 12 1HZ LYS 12 -14.903 5.626 -8.020 97 HZ3 LYS 12 2HZ LYS 12 -14.890 4.559 -9.341 98 H ALA 13 HN ALA 13 -8.411 9.916 -6.534 99 HA ALA 13 HA ALA 13 -8.944 12.647 -6.938 100 HB1 ALA 13 1HB ALA 13 -8.536 11.670 -4.728 101 HB2 ALA 13 2HB ALA 13 -7.483 13.049 -5.040 102 HB3 ALA 13 3HB ALA 13 -6.846 11.409 -5.161 103 H HIS 14 HN HIS 14 -6.506 10.644 -8.254 104 HA HIS 14 HA HIS 14 -4.939 13.021 -9.015 105 HB2 HIS 14 2HB HIS 14 -4.082 10.156 -8.630 106 HB3 HIS 14 1HB HIS 14 -3.082 11.345 -9.456 107 HD1 HIS 14 1HD HIS 14 -1.660 12.837 -8.017 108 HD2 HIS 14 2HD HIS 14 -4.526 10.756 -5.832 109 HE1 HIS 14 1HE HIS 14 -1.131 13.286 -5.602 110 HE2 HIS 14 2HE HIS 14 -2.751 11.857 -4.309 111 H ARG 15 HN ARG 15 -7.095 10.761 -10.240 112 HA ARG 15 HA ARG 15 -5.877 9.725 -12.499 113 HB2 ARG 15 2HB ARG 15 -8.114 9.307 -13.386 114 HB3 ARG 15 1HB ARG 15 -7.980 8.872 -11.691 115 HG2 ARG 15 2HG ARG 15 -9.227 10.756 -11.011 116 HG3 ARG 15 1HG ARG 15 -9.133 11.479 -12.618 117 HD2 ARG 15 2HD ARG 15 -10.418 8.808 -12.219 118 HD3 ARG 15 1HD ARG 15 -11.312 10.293 -11.888 119 HE ARG 15 HE ARG 15 -10.045 10.281 -14.465 120 HH11 ARG 15 1HH1 ARG 15 -12.859 9.220 -12.692 121 HH12 ARG 15 2HH1 ARG 15 -13.921 9.297 -14.061 122 HH21 ARG 15 1HH2 ARG 15 -11.420 10.393 -16.279 123 HH22 ARG 15 2HH2 ARG 15 -13.103 9.993 -16.115 124 H SER 16 HN SER 16 -7.138 12.928 -12.061 125 HA SER 16 HA SER 16 -7.538 13.614 -14.767 126 HB2 SER 16 2HB SER 16 -8.386 14.900 -12.779 127 HB3 SER 16 1HB SER 16 -6.740 15.460 -12.498 128 HG SER 16 HG SER 16 -8.052 16.945 -13.689 129 H SER 17 HN SER 17 -4.700 13.804 -12.673 130 HA SER 17 HA SER 17 -3.019 14.656 -14.895 131 HB2 SER 17 2HB SER 17 -2.155 13.873 -12.105 132 HB3 SER 17 1HB SER 17 -1.323 14.919 -13.247 133 HG SER 17 HG SER 17 -3.340 16.270 -13.028 134 H TRP 18 HN TRP 18 -4.269 11.929 -13.502 135 HA TRP 18 HA TRP 18 -1.984 10.177 -13.957 136 HB2 TRP 18 2HB TRP 18 -4.202 10.314 -12.129 137 HB3 TRP 18 1HB TRP 18 -4.119 8.734 -12.894 138 HD1 TRP 18 1HD TRP 18 -1.031 10.806 -11.806 139 HE1 TRP 18 1HE TRP 18 0.209 9.437 -9.996 140 HE3 TRP 18 3HE TRP 18 -4.345 6.988 -11.345 141 HZ2 TRP 18 2HZ TRP 18 -0.210 7.024 -8.555 142 HZ3 TRP 18 3HZ TRP 18 -3.869 5.176 -9.744 143 HH2 TRP 18 2HH TRP 18 -1.856 5.206 -8.373 144 H LYS 19 HN LYS 19 -3.600 11.114 -16.291 145 HA LYS 19 HA LYS 19 -4.974 9.075 -17.492 146 HB2 LYS 19 2HB LYS 19 -2.722 10.749 -18.650 147 HB3 LYS 19 1HB LYS 19 -3.770 9.710 -19.615 148 HG2 LYS 19 2HG LYS 19 -5.697 11.002 -19.040 149 HG3 LYS 19 1HG LYS 19 -4.775 11.951 -17.877 150 HD2 LYS 19 2HD LYS 19 -3.457 12.915 -19.674 151 HD3 LYS 19 1HD LYS 19 -4.308 11.914 -20.855 152 HE2 LYS 19 2HE LYS 19 -5.163 14.239 -20.753 153 HE3 LYS 19 1HE LYS 19 -6.389 13.028 -20.378 154 HZ1 LYS 19 3HZ LYS 19 -6.091 13.487 -18.027 155 HZ2 LYS 19 1HZ LYS 19 -6.480 14.915 -18.857 156 HZ3 LYS 19 2HZ LYS 19 -4.880 14.627 -18.371 157 H ASN 20 HN ASN 20 -3.313 6.619 -16.366 158 HA ASN 20 HA ASN 20 -5.238 5.740 -17.210 159 HB2 ASN 20 2HB ASN 20 -6.120 8.055 -17.671 160 HB3 ASN 20 1HB ASN 20 -5.290 8.024 -19.220 161 HD21 ASN 20 1HD2 ASN 20 -6.910 5.236 -17.809 162 HD22 ASN 20 2HD2 ASN 20 -8.184 5.173 -18.975 163 H THR 21 HN THR 21 -2.339 6.058 -18.251 164 HA THR 21 HA THR 21 -2.552 4.051 -20.357 165 HB THR 21 HB THR 21 -0.005 4.033 -20.043 166 HG1 THR 21 1HG THR 21 0.312 6.432 -19.055 167 HG21 THR 21 3HG2 THR 21 0.309 6.094 -21.321 168 HG22 THR 21 1HG2 THR 21 -1.308 6.630 -20.865 169 HG23 THR 21 2HG2 THR 21 -1.105 5.211 -21.892 170 H LYS 22 HN LYS 22 -0.402 2.379 -19.444 171 HA LYS 22 HA LYS 22 -1.837 0.728 -17.638 172 HB2 LYS 22 2HB LYS 22 0.063 -0.754 -17.694 173 HB3 LYS 22 1HB LYS 22 -0.298 -0.170 -19.309 174 HG2 LYS 22 2HG LYS 22 1.536 1.412 -19.169 175 HG3 LYS 22 1HG LYS 22 1.895 0.858 -17.530 176 HD2 LYS 22 2HD LYS 22 2.380 -1.367 -18.364 177 HD3 LYS 22 1HD LYS 22 1.950 -0.872 -20.001 178 HE2 LYS 22 2HE LYS 22 3.793 0.744 -19.986 179 HE3 LYS 22 1HE LYS 22 4.225 0.230 -18.356 180 HZ1 LYS 22 3HZ LYS 22 4.798 -1.916 -19.150 181 HZ2 LYS 22 1HZ LYS 22 5.563 -0.794 -20.164 182 HZ3 LYS 22 2HZ LYS 22 4.166 -1.601 -20.689 183 H HIS 23 HN HIS 23 0.076 3.429 -17.016 184 HA HIS 23 HA HIS 23 1.351 2.806 -14.604 185 HB2 HIS 23 2HB HIS 23 0.108 5.380 -15.573 186 HB3 HIS 23 1HB HIS 23 0.884 5.269 -13.999 187 HD1 HIS 23 1HD HIS 23 3.504 4.435 -14.143 188 HD2 HIS 23 2HD HIS 23 1.793 6.027 -17.583 189 HE1 HIS 23 1HE HIS 23 5.432 5.118 -15.602 190 HE2 HIS 23 2HE HIS 23 4.378 6.179 -17.632 191 H ALA 24 HN ALA 24 -1.969 4.020 -15.069 192 HA ALA 24 HA ALA 24 -2.702 3.970 -12.341 193 HB1 ALA 24 1HB ALA 24 -3.963 5.223 -14.020 194 HB2 ALA 24 2HB ALA 24 -5.007 4.096 -13.152 195 HB3 ALA 24 3HB ALA 24 -4.458 3.713 -14.784 196 H ASP 25 HN ASP 25 -2.767 1.575 -14.894 197 HA ASP 25 HA ASP 25 -4.278 -0.407 -13.547 198 HB2 ASP 25 2HB ASP 25 -3.815 -0.339 -16.019 199 HB3 ASP 25 1HB ASP 25 -2.162 -0.831 -15.669 200 H GLN 26 HN GLN 26 -0.801 0.148 -13.921 201 HA GLN 26 HA GLN 26 0.157 -2.066 -12.559 202 HB2 GLN 26 2HB GLN 26 1.229 0.703 -13.013 203 HB3 GLN 26 1HB GLN 26 2.152 -0.489 -12.125 204 HG2 GLN 26 2HG GLN 26 1.172 -0.771 -14.950 205 HG3 GLN 26 1HG GLN 26 2.819 -0.394 -14.455 206 HE21 GLN 26 1HE2 GLN 26 4.061 -1.998 -13.435 207 HE22 GLN 26 2HE2 GLN 26 3.661 -3.679 -13.585 208 H TRP 27 HN TRP 27 -0.990 1.013 -11.319 209 HA TRP 27 HA TRP 27 -0.215 0.472 -8.611 210 HB2 TRP 27 2HB TRP 27 -1.754 2.588 -10.029 211 HB3 TRP 27 1HB TRP 27 -2.060 2.386 -8.306 212 HD1 TRP 27 1HD TRP 27 0.965 3.030 -10.671 213 HE1 TRP 27 1HE TRP 27 2.689 4.435 -9.359 214 HE3 TRP 27 3HE TRP 27 -1.395 3.181 -6.136 215 HZ2 TRP 27 2HZ TRP 27 2.990 5.473 -6.744 216 HZ3 TRP 27 3HZ TRP 27 -0.327 4.399 -4.285 217 HH2 TRP 27 2HH TRP 27 1.817 5.520 -4.582 218 H THR 28 HN THR 28 -3.290 0.418 -10.388 219 HA THR 28 HA THR 28 -4.908 -0.311 -8.202 220 HB THR 28 HB THR 28 -5.444 -0.921 -11.116 221 HG1 THR 28 1HG THR 28 -4.932 1.320 -10.730 222 HG21 THR 28 3HG2 THR 28 -7.312 -0.449 -8.786 223 HG22 THR 28 1HG2 THR 28 -6.981 -2.006 -9.546 224 HG23 THR 28 2HG2 THR 28 -7.800 -0.738 -10.457 225 H ASN 29 HN ASN 29 -3.378 -2.242 -10.737 226 HA ASN 29 HA ASN 29 -4.559 -4.704 -10.204 227 HB2 ASN 29 2HB ASN 29 -3.174 -4.027 -12.207 228 HB3 ASN 29 1HB ASN 29 -1.743 -4.271 -11.216 229 HD21 ASN 29 1HD2 ASN 29 -2.712 -5.569 -13.674 230 HD22 ASN 29 2HD2 ASN 29 -2.733 -7.261 -13.325 231 H THR 30 HN THR 30 -1.538 -3.332 -8.900 232 HA THR 30 HA THR 30 -0.766 -5.612 -7.452 233 HB THR 30 HB THR 30 0.561 -3.913 -6.039 234 HG1 THR 30 1HG THR 30 -1.014 -2.187 -7.168 235 HG21 THR 30 3HG2 THR 30 1.521 -5.225 -7.867 236 HG22 THR 30 1HG2 THR 30 2.191 -3.593 -7.834 237 HG23 THR 30 2HG2 THR 30 0.965 -4.020 -9.027 238 H ILE 31 HN ILE 31 -2.726 -2.813 -6.484 239 HA ILE 31 HA ILE 31 -2.904 -3.643 -3.752 240 HB ILE 31 HB ILE 31 -4.609 -1.656 -5.270 241 HG12 ILE 31 2HG1 ILE 31 -2.217 -1.184 -3.473 242 HG13 ILE 31 1HG1 ILE 31 -2.193 -1.093 -5.232 243 HG21 ILE 31 1HG2 ILE 31 -4.265 -2.061 -2.301 244 HG22 ILE 31 2HG2 ILE 31 -5.703 -2.452 -3.245 245 HG23 ILE 31 3HG2 ILE 31 -5.196 -0.772 -3.062 246 HD11 ILE 31 3HD1 ILE 31 -3.787 0.762 -5.148 247 HD12 ILE 31 1HD1 ILE 31 -2.313 1.118 -4.247 248 HD13 ILE 31 2HD1 ILE 31 -3.788 0.673 -3.386 249 H LYS 32 HN LYS 32 -5.014 -3.791 -6.561 250 HA LYS 32 HA LYS 32 -7.321 -4.762 -5.321 251 HB2 LYS 32 2HB LYS 32 -7.155 -3.862 -7.643 252 HB3 LYS 32 1HB LYS 32 -6.346 -5.341 -8.126 253 HG2 LYS 32 2HG LYS 32 -8.310 -6.639 -7.689 254 HG3 LYS 32 1HG LYS 32 -9.131 -5.238 -6.995 255 HD2 LYS 32 2HD LYS 32 -9.028 -4.102 -9.160 256 HD3 LYS 32 1HD LYS 32 -8.200 -5.496 -9.852 257 HE2 LYS 32 2HE LYS 32 -10.952 -5.587 -8.631 258 HE3 LYS 32 1HE LYS 32 -10.637 -5.398 -10.354 259 HZ1 LYS 32 3HZ LYS 32 -9.731 -7.706 -8.716 260 HZ2 LYS 32 1HZ LYS 32 -9.564 -7.525 -10.397 261 HZ3 LYS 32 2HZ LYS 32 -11.104 -7.703 -9.710 262 H THR 33 HN THR 33 -4.457 -6.416 -6.499 263 HA THR 33 HA THR 33 -5.717 -9.014 -6.324 264 HB THR 33 HB THR 33 -2.814 -8.367 -6.888 265 HG1 THR 33 1HG THR 33 -3.806 -7.487 -8.592 266 HG21 THR 33 3HG2 THR 33 -4.475 -10.835 -7.438 267 HG22 THR 33 1HG2 THR 33 -3.189 -10.697 -6.242 268 HG23 THR 33 2HG2 THR 33 -2.810 -10.589 -7.961 269 H TYR 34 HN TYR 34 -2.974 -7.407 -4.683 270 HA TYR 34 HA TYR 34 -2.647 -9.659 -2.922 271 HB2 TYR 34 2HB TYR 34 -1.282 -6.967 -2.966 272 HB3 TYR 34 1HB TYR 34 -0.837 -8.297 -1.903 273 HD1 TYR 34 2HD TYR 34 -0.587 -10.624 -3.373 274 HD2 TYR 34 1HD TYR 34 0.134 -6.665 -4.741 275 HE1 TYR 34 2HE TYR 34 0.928 -11.503 -5.099 276 HE2 TYR 34 1HE TYR 34 1.652 -7.530 -6.472 277 HH TYR 34 HH TYR 34 1.790 -10.762 -7.352 278 H CYS 35 HN CYS 35 -3.688 -6.282 -2.511 279 HA CYS 35 HA CYS 35 -3.973 -6.684 0.344 280 HB2 CYS 35 2HB CYS 35 -4.569 -4.241 -1.336 281 HB3 CYS 35 1HB CYS 35 -4.450 -4.290 0.419 282 HG CYS 35 HG CYS 35 -1.668 -5.289 0.075 283 H GLY 36 HN GLY 36 -5.994 -6.456 -2.470 284 HA2 GLY 36 2HA GLY 36 -8.404 -5.582 -1.575 285 HA3 GLY 36 1HA GLY 36 -8.237 -6.833 -2.788 286 HA PRO 37 HA PRO 37 -10.136 -9.832 -0.295 287 HB2 PRO 37 2HB PRO 37 -8.445 -11.951 -0.032 288 HB3 PRO 37 1HB PRO 37 -9.293 -11.557 -1.531 289 HG2 PRO 37 2HG PRO 37 -6.474 -10.950 -0.727 290 HG3 PRO 37 1HG PRO 37 -7.098 -11.520 -2.287 291 HD2 PRO 37 2HD PRO 37 -6.458 -8.932 -1.845 292 HD3 PRO 37 1HD PRO 37 -7.784 -9.410 -2.926 293 H VAL 38 HN VAL 38 -7.089 -8.747 0.978 294 HA VAL 38 HA VAL 38 -7.581 -10.093 3.530 295 HB VAL 38 HB VAL 38 -5.152 -8.492 2.709 296 HG11 VAL 38 1HG1 VAL 38 -5.611 -10.384 5.015 297 HG12 VAL 38 2HG1 VAL 38 -5.453 -8.630 5.122 298 HG13 VAL 38 3HG1 VAL 38 -4.079 -9.611 4.611 299 HG21 VAL 38 3HG2 VAL 38 -5.551 -11.485 2.721 300 HG22 VAL 38 1HG2 VAL 38 -4.050 -10.637 2.356 301 HG23 VAL 38 2HG2 VAL 38 -5.439 -10.467 1.284 302 H ILE 39 HN ILE 39 -6.287 -6.863 2.723 303 HA ILE 39 HA ILE 39 -7.622 -5.856 5.135 304 HB ILE 39 HB ILE 39 -6.069 -3.932 4.972 305 HG12 ILE 39 2HG1 ILE 39 -4.796 -5.528 2.735 306 HG13 ILE 39 1HG1 ILE 39 -5.685 -4.020 2.533 307 HG21 ILE 39 1HG2 ILE 39 -4.773 -6.652 5.045 308 HG22 ILE 39 2HG2 ILE 39 -5.510 -5.799 6.401 309 HG23 ILE 39 3HG2 ILE 39 -4.047 -5.163 5.649 310 HD11 ILE 39 3HD1 ILE 39 -3.114 -4.371 4.062 311 HD12 ILE 39 1HD1 ILE 39 -4.000 -2.858 3.867 312 HD13 ILE 39 2HD1 ILE 39 -3.286 -3.649 2.461 313 H GLY 40 HN GLY 40 -8.155 -5.981 1.907 314 HA2 GLY 40 2HA GLY 40 -8.766 -3.432 1.043 315 HA3 GLY 40 1HA GLY 40 -9.579 -4.888 0.495 316 HA PRO 41 HA PRO 41 -13.297 -3.677 2.477 317 HB2 PRO 41 2HB PRO 41 -13.703 -6.112 4.023 318 HB3 PRO 41 1HB PRO 41 -14.537 -5.567 2.565 319 HG2 PRO 41 2HG PRO 41 -12.852 -7.688 2.581 320 HG3 PRO 41 1HG PRO 41 -13.069 -6.642 1.166 321 HD2 PRO 41 2HD PRO 41 -10.869 -6.638 3.204 322 HD3 PRO 41 1HD PRO 41 -10.768 -6.471 1.437 323 H LEU 42 HN LEU 42 -10.664 -3.964 4.393 324 HA LEU 42 HA LEU 42 -12.054 -3.579 6.930 325 HB2 LEU 42 2HB LEU 42 -9.082 -3.591 6.371 326 HB3 LEU 42 1HB LEU 42 -9.851 -3.644 7.946 327 HG LEU 42 HG LEU 42 -9.890 -5.817 5.850 328 HD11 LEU 42 1HD1 LEU 42 -8.655 -7.092 7.529 329 HD12 LEU 42 2HD1 LEU 42 -8.646 -5.684 8.591 330 HD13 LEU 42 3HD1 LEU 42 -7.786 -5.633 7.053 331 HD21 LEU 42 3HD2 LEU 42 -11.112 -7.150 7.488 332 HD22 LEU 42 1HD2 LEU 42 -12.033 -5.721 7.017 333 HD23 LEU 42 2HD2 LEU 42 -11.196 -5.758 8.568 334 H SER 43 HN SER 43 -11.819 -1.668 8.169 335 HA SER 43 HA SER 43 -11.864 0.748 6.847 336 HB2 SER 43 2HB SER 43 -11.145 0.204 9.735 337 HB3 SER 43 1HB SER 43 -11.767 1.698 9.072 338 HG SER 43 HG SER 43 -13.615 0.867 9.665 339 H VAL 44 HN VAL 44 -10.313 2.099 6.138 340 HA VAL 44 HA VAL 44 -7.633 1.233 5.950 341 HB VAL 44 HB VAL 44 -8.735 2.707 4.290 342 HG11 VAL 44 1HG1 VAL 44 -8.426 4.827 6.405 343 HG12 VAL 44 2HG1 VAL 44 -9.941 4.192 5.765 344 HG13 VAL 44 3HG1 VAL 44 -8.864 5.125 4.724 345 HG21 VAL 44 3HG2 VAL 44 -6.809 4.153 3.852 346 HG22 VAL 44 1HG2 VAL 44 -6.312 2.524 4.315 347 HG23 VAL 44 2HG2 VAL 44 -6.214 3.842 5.482 348 H GLN 45 HN GLN 45 -9.289 3.097 8.324 349 HA GLN 45 HA GLN 45 -6.954 4.278 9.505 350 HB2 GLN 45 2HB GLN 45 -9.270 5.212 9.686 351 HB3 GLN 45 1HB GLN 45 -9.698 3.842 10.699 352 HG2 GLN 45 2HG GLN 45 -7.979 4.556 12.321 353 HG3 GLN 45 1HG GLN 45 -7.672 5.978 11.325 354 HE21 GLN 45 1HE2 GLN 45 -9.317 7.557 11.126 355 HE22 GLN 45 2HE2 GLN 45 -10.563 7.689 12.319 356 H ASP 46 HN ASP 46 -8.503 1.236 9.609 357 HA ASP 46 HA ASP 46 -7.582 0.606 12.316 358 HB2 ASP 46 2HB ASP 46 -9.972 0.245 11.670 359 HB3 ASP 46 1HB ASP 46 -9.437 -0.950 10.500 360 H VAL 47 HN VAL 47 -6.383 0.372 9.286 361 HA VAL 47 HA VAL 47 -5.473 -2.312 9.159 362 HB VAL 47 HB VAL 47 -4.308 0.142 7.824 363 HG11 VAL 47 1HG1 VAL 47 -2.734 -1.699 7.812 364 HG12 VAL 47 2HG1 VAL 47 -3.395 -1.467 6.194 365 HG13 VAL 47 3HG1 VAL 47 -3.977 -2.792 7.202 366 HG21 VAL 47 3HG2 VAL 47 -6.656 -0.158 7.249 367 HG22 VAL 47 1HG2 VAL 47 -6.348 -1.843 6.821 368 HG23 VAL 47 2HG2 VAL 47 -5.626 -0.545 5.870 369 H ASP 48 HN ASP 48 -3.894 -3.267 10.245 370 HA ASP 48 HA ASP 48 -2.169 -1.629 11.944 371 HB2 ASP 48 2HB ASP 48 -2.759 -4.595 11.958 372 HB3 ASP 48 1HB ASP 48 -1.593 -3.824 13.023 373 H THR 49 HN THR 49 0.063 -2.486 12.276 374 HA THR 49 HA THR 49 1.480 -2.552 9.825 375 HB THR 49 HB THR 49 2.606 -3.379 12.500 376 HG1 THR 49 1HG THR 49 2.748 -0.701 11.805 377 HG21 THR 49 3HG2 THR 49 4.623 -2.251 11.633 378 HG22 THR 49 1HG2 THR 49 3.768 -1.913 10.128 379 HG23 THR 49 2HG2 THR 49 4.109 -3.580 10.594 380 H LYS 50 HN LYS 50 0.569 -4.985 12.222 381 HA LYS 50 HA LYS 50 1.992 -7.164 11.175 382 HB2 LYS 50 2HB LYS 50 0.811 -7.073 13.399 383 HB3 LYS 50 1HB LYS 50 -0.699 -7.307 12.533 384 HG2 LYS 50 2HG LYS 50 0.265 -9.413 11.595 385 HG3 LYS 50 1HG LYS 50 1.621 -9.211 12.703 386 HD2 LYS 50 2HD LYS 50 -1.284 -9.553 13.432 387 HD3 LYS 50 1HD LYS 50 0.008 -10.730 13.661 388 HE2 LYS 50 2HE LYS 50 1.132 -9.020 15.140 389 HE3 LYS 50 1HE LYS 50 -0.366 -8.093 15.061 390 HZ1 LYS 50 3HZ LYS 50 0.030 -10.801 16.189 391 HZ2 LYS 50 1HZ LYS 50 -1.506 -10.142 15.897 392 HZ3 LYS 50 2HZ LYS 50 -0.463 -9.401 17.005 393 H LEU 51 HN LEU 51 -1.241 -5.931 10.472 394 HA LEU 51 HA LEU 51 -2.107 -8.000 8.815 395 HB2 LEU 51 2HB LEU 51 -2.786 -5.063 8.705 396 HB3 LEU 51 1HB LEU 51 -3.659 -6.323 7.864 397 HG LEU 51 HG LEU 51 -3.477 -5.924 10.840 398 HD11 LEU 51 1HD1 LEU 51 -5.814 -5.882 8.939 399 HD12 LEU 51 2HD1 LEU 51 -5.054 -4.467 9.662 400 HD13 LEU 51 3HD1 LEU 51 -5.888 -5.637 10.683 401 HD21 LEU 51 3HD2 LEU 51 -4.787 -8.168 9.311 402 HD22 LEU 51 1HD2 LEU 51 -4.925 -7.884 11.045 403 HD23 LEU 51 2HD2 LEU 51 -3.364 -8.308 10.345 404 H ILE 52 HN ILE 52 -0.317 -5.045 8.058 405 HA ILE 52 HA ILE 52 -0.133 -5.494 5.271 406 HB ILE 52 HB ILE 52 1.751 -3.946 7.058 407 HG12 ILE 52 2HG1 ILE 52 -0.619 -3.015 5.426 408 HG13 ILE 52 1HG1 ILE 52 -0.611 -3.204 7.175 409 HG21 ILE 52 1HG2 ILE 52 1.356 -3.843 4.069 410 HG22 ILE 52 2HG2 ILE 52 2.778 -4.454 4.916 411 HG23 ILE 52 3HG2 ILE 52 2.366 -2.742 5.006 412 HD11 ILE 52 3HD1 ILE 52 -0.355 -0.878 6.488 413 HD12 ILE 52 1HD1 ILE 52 1.122 -1.299 5.622 414 HD13 ILE 52 2HD1 ILE 52 1.052 -1.459 7.377 415 H MET 53 HN MET 53 2.006 -6.350 7.976 416 HA MET 53 HA MET 53 4.081 -7.548 6.531 417 HB2 MET 53 2HB MET 53 2.963 -8.250 9.249 418 HB3 MET 53 1HB MET 53 4.441 -8.933 8.594 419 HG2 MET 53 2HG MET 53 5.465 -6.740 8.541 420 HG3 MET 53 1HG MET 53 3.969 -6.010 9.130 421 HE1 MET 53 3HE MET 53 5.404 -4.832 11.061 422 HE2 MET 53 1HE MET 53 6.875 -5.624 10.500 423 HE3 MET 53 2HE MET 53 6.421 -5.714 12.202 424 H LYS 54 HN LYS 54 1.053 -8.875 7.738 425 HA LYS 54 HA LYS 54 1.454 -11.565 7.137 426 HB2 LYS 54 2HB LYS 54 -0.372 -10.622 8.537 427 HB3 LYS 54 1HB LYS 54 -1.155 -10.037 7.077 428 HG2 LYS 54 2HG LYS 54 -1.391 -12.344 6.292 429 HG3 LYS 54 1HG LYS 54 -0.635 -12.919 7.781 430 HD2 LYS 54 2HD LYS 54 -2.435 -11.813 9.069 431 HD3 LYS 54 1HD LYS 54 -3.211 -11.370 7.548 432 HE2 LYS 54 2HE LYS 54 -3.366 -13.764 6.973 433 HE3 LYS 54 1HE LYS 54 -2.670 -14.160 8.545 434 HZ1 LYS 54 3HZ LYS 54 -5.067 -14.328 8.601 435 HZ2 LYS 54 1HZ LYS 54 -5.225 -12.722 8.084 436 HZ3 LYS 54 2HZ LYS 54 -4.552 -13.060 9.604 437 H VAL 55 HN VAL 55 0.125 -8.968 5.135 438 HA VAL 55 HA VAL 55 -0.561 -10.634 2.931 439 HB VAL 55 HB VAL 55 -0.009 -7.657 2.946 440 HG11 VAL 55 1HG1 VAL 55 0.043 -8.590 0.696 441 HG12 VAL 55 2HG1 VAL 55 -1.402 -7.603 0.926 442 HG13 VAL 55 3HG1 VAL 55 -1.519 -9.363 0.967 443 HG21 VAL 55 3HG2 VAL 55 -2.593 -9.165 3.308 444 HG22 VAL 55 1HG2 VAL 55 -2.453 -7.418 3.115 445 HG23 VAL 55 2HG2 VAL 55 -1.754 -8.209 4.529 446 H LEU 56 HN LEU 56 2.274 -8.709 3.764 447 HA LEU 56 HA LEU 56 3.503 -9.083 1.195 448 HB2 LEU 56 2HB LEU 56 4.521 -7.895 3.766 449 HB3 LEU 56 1HB LEU 56 5.454 -7.951 2.284 450 HG LEU 56 HG LEU 56 2.840 -6.482 2.657 451 HD11 LEU 56 1HD1 LEU 56 5.656 -5.450 2.347 452 HD12 LEU 56 2HD1 LEU 56 4.720 -5.451 3.842 453 HD13 LEU 56 3HD1 LEU 56 4.194 -4.471 2.472 454 HD21 LEU 56 3HD2 LEU 56 3.328 -5.554 0.432 455 HD22 LEU 56 1HD2 LEU 56 3.083 -7.299 0.385 456 HD23 LEU 56 2HD2 LEU 56 4.715 -6.638 0.300 457 H ASP 57 HN ASP 57 3.535 -10.785 4.198 458 HA ASP 57 HA ASP 57 6.027 -11.891 4.389 459 HB2 ASP 57 2HB ASP 57 4.062 -12.276 5.930 460 HB3 ASP 57 1HB ASP 57 3.513 -13.494 4.812 461 HA PRO 58 HA PRO 58 5.007 -15.533 1.430 462 HB2 PRO 58 2HB PRO 58 2.816 -15.384 -0.159 463 HB3 PRO 58 1HB PRO 58 2.783 -16.095 1.459 464 HG2 PRO 58 2HG PRO 58 1.937 -13.362 0.572 465 HG3 PRO 58 1HG PRO 58 1.135 -14.475 1.698 466 HD2 PRO 58 2HD PRO 58 2.642 -12.376 2.532 467 HD3 PRO 58 1HD PRO 58 2.506 -13.882 3.454 468 H ILE 59 HN ILE 59 4.708 -12.238 0.646 469 HA ILE 59 HA ILE 59 5.313 -12.622 -2.178 470 HB ILE 59 HB ILE 59 5.052 -9.997 -0.711 471 HG12 ILE 59 2HG1 ILE 59 2.913 -11.541 -2.206 472 HG13 ILE 59 1HG1 ILE 59 2.991 -11.348 -0.457 473 HG21 ILE 59 1HG2 ILE 59 6.176 -9.888 -2.877 474 HG22 ILE 59 2HG2 ILE 59 4.596 -9.110 -2.949 475 HG23 ILE 59 3HG2 ILE 59 4.816 -10.719 -3.635 476 HD11 ILE 59 3HD1 ILE 59 1.373 -9.834 -1.477 477 HD12 ILE 59 1HD1 ILE 59 2.661 -9.116 -2.445 478 HD13 ILE 59 2HD1 ILE 59 2.682 -8.952 -0.690 479 H TRP 60 HN TRP 60 6.813 -11.425 0.794 480 HA TRP 60 HA TRP 60 9.123 -10.272 -0.210 481 HB2 TRP 60 2HB TRP 60 8.671 -11.837 2.329 482 HB3 TRP 60 1HB TRP 60 10.207 -11.066 1.957 483 HD1 TRP 60 1HD TRP 60 7.272 -10.425 3.918 484 HE1 TRP 60 1HE TRP 60 6.937 -7.915 4.363 485 HE3 TRP 60 3HE TRP 60 10.438 -8.520 0.370 486 HZ2 TRP 60 2HZ TRP 60 7.873 -5.466 3.360 487 HZ3 TRP 60 3HZ TRP 60 10.653 -6.075 0.186 488 HH2 TRP 60 2HH TRP 60 9.395 -4.584 1.652 489 H GLU 61 HN GLU 61 8.356 -13.666 0.187 490 HA GLU 61 HA GLU 61 11.034 -14.534 -0.310 491 HB2 GLU 61 2HB GLU 61 8.434 -16.050 -0.144 492 HB3 GLU 61 1HB GLU 61 10.034 -16.756 -0.154 493 HG2 GLU 61 2HG GLU 61 10.554 -15.548 1.933 494 HG3 GLU 61 1HG GLU 61 8.893 -14.956 1.957 495 H GLN 62 HN GLN 62 8.010 -14.332 -2.128 496 HA GLN 62 HA GLN 62 9.095 -15.820 -4.359 497 HB2 GLN 62 2HB GLN 62 6.439 -14.410 -4.055 498 HB3 GLN 62 1HB GLN 62 6.877 -15.510 -5.351 499 HG2 GLN 62 2HG GLN 62 6.759 -16.271 -2.446 500 HG3 GLN 62 1HG GLN 62 5.451 -16.521 -3.598 501 HE21 GLN 62 1HE2 GLN 62 5.493 -18.727 -3.287 502 HE22 GLN 62 2HE2 GLN 62 6.742 -19.732 -3.942 503 H LYS 63 HN LYS 63 7.836 -12.527 -3.855 504 HA LYS 63 HA LYS 63 9.503 -11.617 -6.089 505 HB2 LYS 63 2HB LYS 63 6.553 -11.041 -5.734 506 HB3 LYS 63 1HB LYS 63 7.594 -10.163 -6.845 507 HG2 LYS 63 2HG LYS 63 7.909 -12.053 -8.210 508 HG3 LYS 63 1HG LYS 63 7.272 -13.143 -6.980 509 HD2 LYS 63 2HD LYS 63 5.657 -12.810 -8.770 510 HD3 LYS 63 1HD LYS 63 5.052 -12.162 -7.248 511 HE2 LYS 63 2HE LYS 63 4.549 -10.652 -9.083 512 HE3 LYS 63 1HE LYS 63 5.690 -9.902 -7.968 513 HZ1 LYS 63 3HZ LYS 63 7.479 -10.353 -9.470 514 HZ2 LYS 63 1HZ LYS 63 6.245 -9.575 -10.338 515 HZ3 LYS 63 2HZ LYS 63 6.469 -11.249 -10.501 516 HA PRO 64 HA PRO 64 10.008 -9.075 -2.221 517 HB2 PRO 64 2HB PRO 64 12.718 -8.788 -3.356 518 HB3 PRO 64 1HB PRO 64 12.229 -9.259 -1.727 519 HG2 PRO 64 2HG PRO 64 13.245 -11.033 -3.472 520 HG3 PRO 64 1HG PRO 64 11.998 -11.481 -2.294 521 HD2 PRO 64 2HD PRO 64 11.747 -10.947 -5.220 522 HD3 PRO 64 1HD PRO 64 10.901 -12.139 -4.212 523 H GLU 65 HN GLU 65 11.107 -8.532 -5.508 524 HA GLU 65 HA GLU 65 11.453 -5.761 -5.429 525 HB2 GLU 65 2HB GLU 65 12.253 -7.151 -7.259 526 HB3 GLU 65 1HB GLU 65 10.603 -7.564 -7.690 527 HG2 GLU 65 2HG GLU 65 10.226 -5.122 -8.141 528 HG3 GLU 65 1HG GLU 65 11.967 -4.910 -7.962 529 H THR 66 HN THR 66 8.627 -7.729 -6.215 530 HA THR 66 HA THR 66 6.932 -5.508 -6.775 531 HB THR 66 HB THR 66 6.109 -8.337 -6.104 532 HG1 THR 66 1HG THR 66 7.077 -7.141 -8.499 533 HG21 THR 66 3HG2 THR 66 4.269 -6.717 -6.137 534 HG22 THR 66 1HG2 THR 66 4.163 -7.825 -7.506 535 HG23 THR 66 2HG2 THR 66 4.765 -6.183 -7.743 536 H ALA 67 HN ALA 67 7.657 -7.453 -3.957 537 HA ALA 67 HA ALA 67 5.514 -6.679 -2.317 538 HB1 ALA 67 1HB ALA 67 6.993 -8.563 -1.802 539 HB2 ALA 67 2HB ALA 67 6.880 -7.431 -0.454 540 HB3 ALA 67 3HB ALA 67 8.311 -7.434 -1.486 541 H SER 68 HN SER 68 8.788 -5.304 -2.625 542 HA SER 68 HA SER 68 8.351 -3.260 -0.711 543 HB2 SER 68 2HB SER 68 10.419 -2.236 -1.808 544 HB3 SER 68 1HB SER 68 10.603 -3.857 -1.144 545 HG SER 68 HG SER 68 10.643 -2.995 -3.784 546 H ARG 69 HN ARG 69 7.861 -3.459 -4.182 547 HA ARG 69 HA ARG 69 7.304 -0.698 -4.547 548 HB2 ARG 69 2HB ARG 69 6.773 -3.164 -6.192 549 HB3 ARG 69 1HB ARG 69 6.225 -1.579 -6.695 550 HG2 ARG 69 2HG ARG 69 8.517 -0.760 -6.682 551 HG3 ARG 69 1HG ARG 69 9.073 -2.346 -6.153 552 HD2 ARG 69 2HD ARG 69 8.320 -3.350 -8.207 553 HD3 ARG 69 1HD ARG 69 7.598 -1.827 -8.728 554 HE ARG 69 HE ARG 69 10.161 -1.121 -8.388 555 HH11 ARG 69 1HH1 ARG 69 8.741 -3.869 -10.047 556 HH12 ARG 69 2HH1 ARG 69 10.025 -3.983 -11.208 557 HH21 ARG 69 1HH2 ARG 69 11.832 -1.271 -9.916 558 HH22 ARG 69 2HH2 ARG 69 11.793 -2.520 -11.129 559 H LEU 70 HN LEU 70 5.381 -3.525 -3.746 560 HA LEU 70 HA LEU 70 2.837 -2.316 -3.981 561 HB2 LEU 70 2HB LEU 70 3.122 -4.741 -3.814 562 HB3 LEU 70 1HB LEU 70 3.750 -4.568 -2.185 563 HG LEU 70 HG LEU 70 1.552 -3.673 -1.464 564 HD11 LEU 70 1HD1 LEU 70 0.773 -2.784 -3.580 565 HD12 LEU 70 2HD1 LEU 70 -0.382 -3.957 -2.948 566 HD13 LEU 70 3HD1 LEU 70 0.703 -4.410 -4.261 567 HD21 LEU 70 3HD2 LEU 70 2.072 -6.022 -1.157 568 HD22 LEU 70 1HD2 LEU 70 1.489 -6.383 -2.782 569 HD23 LEU 70 2HD2 LEU 70 0.366 -5.816 -1.548 570 H ARG 71 HN ARG 71 5.224 -2.437 -1.400 571 HA ARG 71 HA ARG 71 3.728 -1.288 0.664 572 HB2 ARG 71 2HB ARG 71 6.116 -2.208 0.775 573 HB3 ARG 71 1HB ARG 71 6.635 -0.650 0.147 574 HG2 ARG 71 2HG ARG 71 5.342 0.352 2.126 575 HG3 ARG 71 1HG ARG 71 5.367 -1.284 2.785 576 HD2 ARG 71 2HD ARG 71 7.278 -0.439 3.724 577 HD3 ARG 71 1HD ARG 71 7.935 -1.112 2.231 578 HE ARG 71 HE ARG 71 7.130 1.692 2.163 579 HH11 ARG 71 1HH1 ARG 71 9.744 -0.636 2.407 580 HH12 ARG 71 2HH1 ARG 71 10.982 0.536 2.067 581 HH21 ARG 71 1HH2 ARG 71 8.745 3.224 1.759 582 HH22 ARG 71 2HH2 ARG 71 10.413 2.729 1.711 583 H GLY 72 HN GLY 72 5.445 0.135 -2.053 584 HA2 GLY 72 2HA GLY 72 5.241 2.840 -1.332 585 HA3 GLY 72 1HA GLY 72 5.414 2.232 -2.972 586 H ARG 73 HN ARG 73 2.947 0.686 -2.893 587 HA ARG 73 HA ARG 73 1.088 2.679 -3.684 588 HB2 ARG 73 2HB ARG 73 0.951 -0.273 -3.219 589 HB3 ARG 73 1HB ARG 73 -0.552 0.623 -3.328 590 HG2 ARG 73 2HG ARG 73 -0.121 -0.259 -5.464 591 HG3 ARG 73 1HG ARG 73 0.219 1.467 -5.552 592 HD2 ARG 73 2HD ARG 73 2.547 1.112 -5.572 593 HD3 ARG 73 1HD ARG 73 2.372 -0.569 -5.061 594 HE ARG 73 HE ARG 73 1.229 -0.880 -7.302 595 HH11 ARG 73 1HH1 ARG 73 3.722 1.534 -6.765 596 HH12 ARG 73 2HH1 ARG 73 4.235 1.543 -8.425 597 HH21 ARG 73 1HH2 ARG 73 1.906 -0.874 -9.468 598 HH22 ARG 73 2HH2 ARG 73 3.201 0.169 -9.963 599 H ILE 74 HN ILE 74 1.267 0.570 -0.838 600 HA ILE 74 HA ILE 74 -1.063 1.606 0.410 601 HB ILE 74 HB ILE 74 1.266 0.199 1.735 602 HG12 ILE 74 2HG1 ILE 74 -1.236 -1.001 0.520 603 HG13 ILE 74 1HG1 ILE 74 0.364 -1.053 -0.218 604 HG21 ILE 74 1HG2 ILE 74 -0.301 1.273 3.287 605 HG22 ILE 74 2HG2 ILE 74 -0.372 -0.485 3.400 606 HG23 ILE 74 3HG2 ILE 74 -1.636 0.392 2.542 607 HD11 ILE 74 3HD1 ILE 74 -0.452 -2.327 2.388 608 HD12 ILE 74 1HD1 ILE 74 1.177 -2.339 1.711 609 HD13 ILE 74 2HD1 ILE 74 -0.136 -3.149 0.859 610 H GLU 75 HN GLU 75 2.361 2.308 0.668 611 HA GLU 75 HA GLU 75 2.382 3.965 2.909 612 HB2 GLU 75 2HB GLU 75 4.331 2.980 1.624 613 HB3 GLU 75 1HB GLU 75 4.117 4.276 0.460 614 HG2 GLU 75 2HG GLU 75 4.567 5.920 2.189 615 HG3 GLU 75 1HG GLU 75 4.754 4.629 3.377 616 H SER 76 HN SER 76 1.947 4.815 -0.526 617 HA SER 76 HA SER 76 1.739 7.610 0.039 618 HB2 SER 76 2HB SER 76 2.595 6.667 -2.123 619 HB3 SER 76 1HB SER 76 0.939 6.204 -2.498 620 HG SER 76 HG SER 76 1.271 8.842 -1.724 621 H VAL 77 HN VAL 77 -0.547 4.973 -0.402 622 HA VAL 77 HA VAL 77 -2.857 6.607 -0.606 623 HB VAL 77 HB VAL 77 -2.558 3.731 0.276 624 HG11 VAL 77 1HG1 VAL 77 -5.085 5.286 -0.293 625 HG12 VAL 77 2HG1 VAL 77 -4.579 4.660 1.276 626 HG13 VAL 77 3HG1 VAL 77 -4.992 3.543 -0.025 627 HG21 VAL 77 3HG2 VAL 77 -3.497 3.254 -1.943 628 HG22 VAL 77 1HG2 VAL 77 -1.982 4.153 -2.050 629 HG23 VAL 77 2HG2 VAL 77 -3.520 4.980 -2.297 630 H LEU 78 HN LEU 78 -1.284 5.007 2.157 631 HA LEU 78 HA LEU 78 -3.085 5.999 4.109 632 HB2 LEU 78 2HB LEU 78 -0.198 5.153 4.380 633 HB3 LEU 78 1HB LEU 78 -1.281 5.455 5.724 634 HG LEU 78 HG LEU 78 -1.640 3.289 3.651 635 HD11 LEU 78 1HD1 LEU 78 -0.820 3.102 6.544 636 HD12 LEU 78 2HD1 LEU 78 0.256 2.893 5.163 637 HD13 LEU 78 3HD1 LEU 78 -1.062 1.753 5.436 638 HD21 LEU 78 3HD2 LEU 78 -3.422 2.488 5.111 639 HD22 LEU 78 1HD2 LEU 78 -3.763 4.119 4.532 640 HD23 LEU 78 2HD2 LEU 78 -3.178 3.871 6.177 641 H ASP 79 HN ASP 79 -0.152 7.265 2.659 642 HA ASP 79 HA ASP 79 0.250 9.516 4.285 643 HB2 ASP 79 2HB ASP 79 1.874 8.737 2.608 644 HB3 ASP 79 1HB ASP 79 0.759 9.160 1.317 645 H TRP 80 HN TRP 80 -1.627 9.094 1.321 646 HA TRP 80 HA TRP 80 -2.723 11.672 1.172 647 HB2 TRP 80 2HB TRP 80 -2.749 10.179 -0.721 648 HB3 TRP 80 1HB TRP 80 -3.714 9.003 0.158 649 HD1 TRP 80 1HD TRP 80 -4.034 12.491 -1.457 650 HE1 TRP 80 1HE TRP 80 -6.513 12.870 -2.070 651 HE3 TRP 80 3HE TRP 80 -6.035 8.283 0.641 652 HZ2 TRP 80 2HZ TRP 80 -8.974 11.545 -1.719 653 HZ3 TRP 80 3HZ TRP 80 -8.458 7.914 0.456 654 HH2 TRP 80 2HH TRP 80 -9.895 9.510 -0.697 655 H ALA 81 HN ALA 81 -3.938 8.689 2.651 656 HA ALA 81 HA ALA 81 -6.444 9.652 3.451 657 HB1 ALA 81 1HB ALA 81 -5.816 7.275 3.369 658 HB2 ALA 81 2HB ALA 81 -6.533 7.734 4.913 659 HB3 ALA 81 3HB ALA 81 -4.788 7.515 4.782 660 H THR 82 HN THR 82 -3.298 9.824 5.005 661 HA THR 82 HA THR 82 -4.145 10.651 7.551 662 HB THR 82 HB THR 82 -1.565 11.294 6.107 663 HG1 THR 82 1HG THR 82 -1.881 9.056 6.361 664 HG21 THR 82 3HG2 THR 82 -1.931 12.790 8.004 665 HG22 THR 82 1HG2 THR 82 -0.632 11.648 8.351 666 HG23 THR 82 2HG2 THR 82 -2.232 11.405 9.053 667 H VAL 83 HN VAL 83 -3.329 12.499 4.637 668 HA VAL 83 HA VAL 83 -3.622 15.052 5.885 669 HB VAL 83 HB VAL 83 -3.695 14.416 2.927 670 HG11 VAL 83 1HG1 VAL 83 -2.939 16.737 2.667 671 HG12 VAL 83 2HG1 VAL 83 -3.062 16.965 4.412 672 HG13 VAL 83 3HG1 VAL 83 -4.512 16.646 3.460 673 HG21 VAL 83 3HG2 VAL 83 -1.664 13.529 3.923 674 HG22 VAL 83 1HG2 VAL 83 -1.349 15.078 4.705 675 HG23 VAL 83 2HG2 VAL 83 -1.296 14.952 2.947 676 H ARG 84 HN ARG 84 -5.702 13.031 3.847 677 HA ARG 84 HA ARG 84 -7.857 14.864 3.778 678 HB2 ARG 84 2HB ARG 84 -7.296 12.135 2.879 679 HB3 ARG 84 1HB ARG 84 -8.978 12.419 3.297 680 HG2 ARG 84 2HG ARG 84 -8.357 12.784 0.887 681 HG3 ARG 84 1HG ARG 84 -9.197 14.102 1.687 682 HD2 ARG 84 2HD ARG 84 -6.209 14.069 1.531 683 HD3 ARG 84 1HD ARG 84 -7.179 14.659 0.183 684 HE ARG 84 HE ARG 84 -8.001 15.893 2.598 685 HH11 ARG 84 1HH1 ARG 84 -5.443 15.982 0.188 686 HH12 ARG 84 2HH1 ARG 84 -4.995 17.627 0.557 687 HH21 ARG 84 1HH2 ARG 84 -7.418 18.044 3.053 688 HH22 ARG 84 2HH2 ARG 84 -6.137 18.802 2.159 689 H GLY 85 HN GLY 85 -6.704 12.849 6.241 690 HA2 GLY 85 2HA GLY 85 -7.427 13.070 8.448 691 HA3 GLY 85 1HA GLY 85 -8.934 13.751 7.864 692 H TYR 86 HN TYR 86 -8.074 10.840 6.299 693 HA TYR 86 HA TYR 86 -10.300 9.455 7.419 694 HB2 TYR 86 2HB TYR 86 -8.030 8.561 5.641 695 HB3 TYR 86 1HB TYR 86 -9.290 7.459 6.187 696 HD1 TYR 86 2HD TYR 86 -11.726 8.167 5.684 697 HD2 TYR 86 1HD TYR 86 -8.343 9.795 3.688 698 HE1 TYR 86 2HE TYR 86 -13.168 8.866 3.827 699 HE2 TYR 86 1HE TYR 86 -9.782 10.506 1.823 700 HH TYR 86 HH TYR 86 -11.895 10.028 0.843 701 H ARG 87 HN ARG 87 -6.861 9.480 8.002 702 HA ARG 87 HA ARG 87 -7.384 8.502 10.670 703 HB2 ARG 87 2HB ARG 87 -5.858 6.718 10.684 704 HB3 ARG 87 1HB ARG 87 -6.726 6.506 9.176 705 HG2 ARG 87 2HG ARG 87 -4.837 7.636 8.008 706 HG3 ARG 87 1HG ARG 87 -3.962 7.630 9.542 707 HD2 ARG 87 2HD ARG 87 -4.793 5.306 7.833 708 HD3 ARG 87 1HD ARG 87 -3.184 5.727 8.415 709 HE ARG 87 HE ARG 87 -5.339 4.529 10.025 710 HH11 ARG 87 1HH1 ARG 87 -1.965 5.370 9.639 711 HH12 ARG 87 2HH1 ARG 87 -1.425 4.331 10.930 712 HH21 ARG 87 1HH2 ARG 87 -4.641 3.140 11.700 713 HH22 ARG 87 2HH2 ARG 87 -2.947 3.055 12.078 714 H GLU 88 HN GLU 88 -5.691 9.126 12.128 715 HA GLU 88 HA GLU 88 -4.474 11.586 11.299 716 HB2 GLU 88 2HB GLU 88 -4.404 10.099 13.923 717 HB3 GLU 88 1HB GLU 88 -3.641 11.664 13.663 718 HG2 GLU 88 2HG GLU 88 -5.854 12.576 13.015 719 HG3 GLU 88 1HG GLU 88 -6.575 11.026 13.443 720 H GLY 89 HN GLY 89 -2.110 11.913 12.300 721 HA2 GLY 89 2HA GLY 89 -0.484 10.879 10.314 722 HA3 GLY 89 1HA GLY 89 0.100 11.652 11.767 723 H ASP 90 HN ASP 90 -0.391 8.734 10.101 724 HA ASP 90 HA ASP 90 1.684 7.431 11.526 725 HB2 ASP 90 2HB ASP 90 -0.063 7.001 13.175 726 HB3 ASP 90 1HB ASP 90 -1.123 6.365 11.923 727 H ASN 91 HN ASN 91 2.563 5.832 10.294 728 HA ASN 91 HA ASN 91 1.038 4.896 7.966 729 HB2 ASN 91 2HB ASN 91 2.489 6.803 7.260 730 HB3 ASN 91 1HB ASN 91 3.893 5.881 7.790 731 HD21 ASN 91 1HD2 ASN 91 1.534 6.311 5.316 732 HD22 ASN 91 2HD2 ASN 91 2.163 5.147 4.218 733 HA PRO 92 HA PRO 92 2.947 1.361 10.194 734 HB2 PRO 92 2HB PRO 92 0.992 -0.407 9.491 735 HB3 PRO 92 1HB PRO 92 0.867 0.681 10.877 736 HG2 PRO 92 2HG PRO 92 -0.273 0.979 8.125 737 HG3 PRO 92 1HG PRO 92 -1.041 1.288 9.694 738 HD2 PRO 92 2HD PRO 92 -0.053 3.280 8.169 739 HD3 PRO 92 1HD PRO 92 0.004 3.339 9.941 740 H ALA 93 HN ALA 93 2.472 2.109 6.957 741 HA ALA 93 HA ALA 93 3.165 -0.486 5.885 742 HB1 ALA 93 1HB ALA 93 1.554 0.952 4.717 743 HB2 ALA 93 2HB ALA 93 2.948 0.563 3.710 744 HB3 ALA 93 3HB ALA 93 2.820 2.153 4.465 745 H ARG 94 HN ARG 94 4.673 2.724 6.130 746 HA ARG 94 HA ARG 94 6.980 1.945 4.660 747 HB2 ARG 94 2HB ARG 94 6.255 4.258 4.698 748 HB3 ARG 94 1HB ARG 94 6.494 4.336 6.436 749 HG2 ARG 94 2HG ARG 94 8.799 4.360 6.247 750 HG3 ARG 94 1HG ARG 94 8.774 3.670 4.623 751 HD2 ARG 94 2HD ARG 94 9.373 6.067 4.651 752 HD3 ARG 94 1HD ARG 94 7.919 5.732 3.715 753 HE ARG 94 HE ARG 94 7.754 6.735 6.489 754 HH11 ARG 94 1HH1 ARG 94 6.923 6.944 3.090 755 HH12 ARG 94 2HH1 ARG 94 5.853 8.302 3.302 756 HH21 ARG 94 1HH2 ARG 94 6.364 8.518 6.773 757 HH22 ARG 94 2HH2 ARG 94 5.556 9.219 5.401 758 H TRP 95 HN TRP 95 8.817 1.132 5.277 759 HA TRP 95 HA TRP 95 9.379 0.767 8.145 760 HB2 TRP 95 2HB TRP 95 9.636 -1.114 5.827 761 HB3 TRP 95 1HB TRP 95 10.770 -1.248 7.167 762 HD1 TRP 95 1HD TRP 95 9.455 -1.439 9.679 763 HE1 TRP 95 1HE TRP 95 7.479 -2.971 10.256 764 HE3 TRP 95 3HE TRP 95 7.674 -2.259 4.965 765 HZ2 TRP 95 2HZ TRP 95 5.418 -4.342 8.894 766 HZ3 TRP 95 3HZ TRP 95 5.696 -3.694 4.685 767 HH2 TRP 95 2HH TRP 95 4.593 -4.714 6.610 768 H ARG 96 HN ARG 96 11.526 1.031 8.799 769 HA ARG 96 HA ARG 96 13.281 2.277 6.820 770 HB2 ARG 96 2HB ARG 96 14.385 3.351 8.585 771 HB3 ARG 96 1HB ARG 96 12.697 3.426 9.046 772 HG2 ARG 96 2HG ARG 96 13.014 1.573 10.578 773 HG3 ARG 96 1HG ARG 96 14.700 1.430 10.079 774 HD2 ARG 96 2HD ARG 96 14.932 3.870 10.815 775 HD3 ARG 96 1HD ARG 96 13.379 3.643 11.622 776 HE ARG 96 HE ARG 96 15.522 1.753 12.228 777 HH11 ARG 96 1HH1 ARG 96 13.492 4.424 13.241 778 HH12 ARG 96 2HH1 ARG 96 14.009 4.344 14.902 779 HH21 ARG 96 1HH2 ARG 96 16.213 1.654 14.398 780 HH22 ARG 96 2HH2 ARG 96 15.541 2.757 15.563 781 H GLY 97 HN GLY 97 12.883 -0.434 8.944 782 HA2 GLY 97 2HA GLY 97 15.110 -1.786 7.678 783 HA3 GLY 97 1HA GLY 97 15.333 -1.452 9.387 784 H TYR 98 HN TYR 98 12.574 -2.589 7.419 785 HA TYR 98 HA TYR 98 11.731 -4.518 9.314 786 HB2 TYR 98 2HB TYR 98 10.266 -3.680 7.502 787 HB3 TYR 98 1HB TYR 98 11.277 -4.496 6.315 788 HD1 TYR 98 1HD TYR 98 9.118 -5.139 9.278 789 HD2 TYR 98 2HD TYR 98 10.832 -6.720 5.719 790 HE1 TYR 98 1HE TYR 98 7.756 -7.171 9.532 791 HE2 TYR 98 2HE TYR 98 9.476 -8.756 5.964 792 HH TYR 98 HH TYR 98 8.337 -10.010 7.797 793 H LEU 99 HN LEU 99 13.806 -4.652 6.470 794 HA LEU 99 HA LEU 99 14.624 -7.380 7.149 795 HB2 LEU 99 2HB LEU 99 15.136 -5.725 4.672 796 HB3 LEU 99 1HB LEU 99 15.672 -7.374 4.913 797 HG LEU 99 HG LEU 99 12.785 -6.497 4.794 798 HD11 LEU 99 1HD1 LEU 99 12.758 -7.630 2.620 799 HD12 LEU 99 2HD1 LEU 99 14.497 -7.898 2.746 800 HD13 LEU 99 3HD1 LEU 99 13.863 -6.256 2.634 801 HD21 LEU 99 3HD2 LEU 99 12.334 -8.916 4.637 802 HD22 LEU 99 1HD2 LEU 99 13.071 -8.466 6.175 803 HD23 LEU 99 2HD2 LEU 99 14.044 -9.235 4.921 804 H GLU 100 HN GLU 100 16.226 -4.485 5.825 805 HA GLU 100 HA GLU 100 18.093 -4.287 7.973 806 HB2 GLU 100 2HB GLU 100 19.068 -6.219 6.820 807 HB3 GLU 100 1HB GLU 100 19.072 -5.330 5.303 808 HG2 GLU 100 2HG GLU 100 20.637 -3.702 6.323 809 HG3 GLU 100 1HG GLU 100 20.704 -4.724 7.759 810 H HIS 101 HN HIS 101 19.199 -2.327 7.912 811 HA HIS 101 HA HIS 101 18.396 -0.437 5.872 812 HB2 HIS 101 2HB HIS 101 19.578 1.252 7.168 813 HB3 HIS 101 1HB HIS 101 18.563 0.297 8.235 814 HD1 HIS 101 1HD HIS 101 21.635 1.880 8.347 815 HD2 HIS 101 2HD HIS 101 20.447 -1.992 9.293 816 HE1 HIS 101 1HE HIS 101 23.405 0.984 9.889 817 HE2 HIS 101 2HE HIS 101 22.536 -1.261 10.629 818 H HIS 102 HN HIS 102 19.306 -0.960 3.954 819 HA HIS 102 HA HIS 102 22.247 -1.109 3.862 820 HB2 HIS 102 2HB HIS 102 20.843 -3.313 3.555 821 HB3 HIS 102 1HB HIS 102 20.551 -2.673 1.943 822 HD1 HIS 102 1HD HIS 102 22.780 -4.794 3.721 823 HD2 HIS 102 2HD HIS 102 23.202 -2.061 0.609 824 HE1 HIS 102 1HE HIS 102 24.953 -5.377 2.590 825 HE2 HIS 102 2HE HIS 102 25.050 -3.878 0.563 826 H HIS 103 HN HIS 103 23.154 0.268 2.469 827 HA HIS 103 HA HIS 103 21.464 1.414 0.346 828 HB2 HIS 103 2HB HIS 103 23.118 2.829 2.394 829 HB3 HIS 103 1HB HIS 103 22.952 3.537 0.791 830 HD1 HIS 103 1HD HIS 103 21.350 3.474 4.017 831 HD2 HIS 103 2HD HIS 103 20.096 3.868 0.068 832 HE1 HIS 103 1HE HIS 103 19.048 4.483 4.130 833 HE2 HIS 103 2HE HIS 103 18.412 4.916 1.724 834 H HIS 104 HN HIS 104 22.250 0.913 -1.540 835 HA HIS 104 HA HIS 104 25.089 1.409 -2.065 836 HB2 HIS 104 2HB HIS 104 23.829 -1.183 -2.108 837 HB3 HIS 104 1HB HIS 104 24.321 -0.743 -3.739 838 HD1 HIS 104 1HD HIS 104 26.625 -1.451 -4.305 839 HD2 HIS 104 2HD HIS 104 26.164 -0.775 -0.219 840 HE1 HIS 104 1HE HIS 104 28.823 -2.077 -3.254 841 HE2 HIS 104 2HE HIS 104 28.481 -1.789 -0.774 842 H HIS 105 HN HIS 105 25.273 2.767 -3.757 843 HA HIS 105 HA HIS 105 22.945 3.247 -5.420 844 HB2 HIS 105 2HB HIS 105 24.290 4.987 -6.528 845 HB3 HIS 105 1HB HIS 105 24.264 5.189 -4.786 846 HD1 HIS 105 1HD HIS 105 26.454 5.662 -3.758 847 HD2 HIS 105 2HD HIS 105 26.852 3.711 -7.415 848 HE1 HIS 105 1HE HIS 105 28.927 5.568 -4.218 849 HE2 HIS 105 2HE HIS 105 29.127 4.586 -6.527 850 H HIS 106 HN HIS 106 25.853 1.463 -5.512 851 HA HIS 106 HA HIS 106 24.997 -0.166 -7.623 852 HB2 HIS 106 2HB HIS 106 25.695 1.844 -8.972 853 HB3 HIS 106 1HB HIS 106 27.330 1.623 -8.361 854 HD1 HIS 106 1HD HIS 106 27.693 1.447 -11.090 855 HD2 HIS 106 2HD HIS 106 25.886 -1.774 -9.169 856 HE1 HIS 106 1HE HIS 106 27.943 -0.516 -12.656 857 HE2 HIS 106 2HE HIS 106 26.735 -2.423 -11.520 Start of MODEL 18 1 H1 MET 1 H1 MET 1 -16.240 1.591 4.425 2 H2 MET 1 H2 MET 1 -16.504 3.263 4.462 3 H3 MET 1 H3 MET 1 -15.381 2.557 5.518 4 HA MET 1 HA MET 1 -15.153 2.605 2.570 5 HB2 MET 1 2HB MET 1 -14.822 4.836 3.573 6 HB3 MET 1 1HB MET 1 -13.615 4.162 4.661 7 HG2 MET 1 2HG MET 1 -12.410 5.197 2.913 8 HG3 MET 1 1HG MET 1 -12.324 3.468 2.616 9 HE1 MET 1 2HE MET 1 -15.492 5.735 1.948 10 HE2 MET 1 3HE MET 1 -15.157 6.288 0.307 11 HE3 MET 1 1HE MET 1 -14.125 6.805 1.640 12 H THR 2 HN THR 2 -13.879 1.067 1.820 13 HA THR 2 HA THR 2 -12.288 -0.490 3.714 14 HB THR 2 HB THR 2 -12.073 -2.116 1.845 15 HG1 THR 2 1HG THR 2 -14.038 -0.606 0.463 16 HG21 THR 2 3HG2 THR 2 -13.921 -2.306 3.461 17 HG22 THR 2 1HG2 THR 2 -14.393 -2.872 1.857 18 HG23 THR 2 2HG2 THR 2 -14.919 -1.287 2.424 19 H PHE 3 HN PHE 3 -10.129 -1.256 2.918 20 HA PHE 3 HA PHE 3 -8.437 0.896 2.330 21 HB2 PHE 3 2HB PHE 3 -7.650 -1.135 3.453 22 HB3 PHE 3 1HB PHE 3 -7.935 -2.072 1.991 23 HD1 PHE 3 1HD PHE 3 -5.954 0.778 3.311 24 HD2 PHE 3 2HD PHE 3 -6.249 -2.325 0.418 25 HE1 PHE 3 1HE PHE 3 -3.657 1.261 2.563 26 HE2 PHE 3 2HE PHE 3 -3.955 -1.851 -0.335 27 HZ PHE 3 HZ PHE 3 -2.656 -0.056 0.739 28 H SER 4 HN SER 4 -9.872 -1.576 0.252 29 HA SER 4 HA SER 4 -8.465 -0.914 -2.096 30 HB2 SER 4 2HB SER 4 -11.221 -2.133 -1.810 31 HB3 SER 4 1HB SER 4 -10.233 -2.160 -3.271 32 HG SER 4 HG SER 4 -8.659 -3.104 -1.484 33 H GLU 5 HN GLU 5 -11.574 0.234 -0.824 34 HA GLU 5 HA GLU 5 -12.247 1.850 -3.035 35 HB2 GLU 5 2HB GLU 5 -13.026 1.981 -0.127 36 HB3 GLU 5 1HB GLU 5 -13.723 3.013 -1.360 37 HG2 GLU 5 2HG GLU 5 -14.637 1.115 -2.509 38 HG3 GLU 5 1HG GLU 5 -13.835 0.015 -1.388 39 H CYS 6 HN CYS 6 -10.666 2.587 0.048 40 HA CYS 6 HA CYS 6 -10.371 5.360 -0.357 41 HB2 CYS 6 2HB CYS 6 -10.100 4.058 1.806 42 HB3 CYS 6 1HB CYS 6 -8.512 3.600 1.244 43 HG CYS 6 HG CYS 6 -8.137 6.617 0.864 44 H ALA 7 HN ALA 7 -8.214 2.642 -0.980 45 HA ALA 7 HA ALA 7 -6.044 4.040 -2.054 46 HB1 ALA 7 1HB ALA 7 -6.004 1.638 -1.496 47 HB2 ALA 7 2HB ALA 7 -5.412 1.957 -3.126 48 HB3 ALA 7 3HB ALA 7 -7.036 1.316 -2.888 49 H ALA 8 HN ALA 8 -8.948 2.769 -3.637 50 HA ALA 8 HA ALA 8 -8.278 3.522 -6.262 51 HB1 ALA 8 1HB ALA 8 -10.655 3.242 -6.759 52 HB2 ALA 8 2HB ALA 8 -11.015 3.205 -5.033 53 HB3 ALA 8 3HB ALA 8 -10.049 1.921 -5.760 54 H LEU 9 HN LEU 9 -9.901 5.272 -3.654 55 HA LEU 9 HA LEU 9 -10.660 7.526 -5.175 56 HB2 LEU 9 2HB LEU 9 -9.982 7.322 -2.241 57 HB3 LEU 9 1HB LEU 9 -10.739 8.709 -2.994 58 HG LEU 9 HG LEU 9 -11.932 5.946 -2.774 59 HD11 LEU 9 1HD1 LEU 9 -13.546 7.039 -1.292 60 HD12 LEU 9 2HD1 LEU 9 -12.638 8.546 -1.425 61 HD13 LEU 9 3HD1 LEU 9 -11.902 7.137 -0.659 62 HD21 LEU 9 3HD2 LEU 9 -13.095 8.475 -3.936 63 HD22 LEU 9 1HD2 LEU 9 -13.947 6.946 -3.721 64 HD23 LEU 9 2HD2 LEU 9 -12.599 7.052 -4.851 65 H TYR 10 HN TYR 10 -7.729 6.770 -3.347 66 HA TYR 10 HA TYR 10 -6.372 9.204 -3.768 67 HB2 TYR 10 2HB TYR 10 -5.671 7.478 -2.130 68 HB3 TYR 10 1HB TYR 10 -5.214 6.418 -3.454 69 HD1 TYR 10 2HD TYR 10 -4.508 9.859 -2.178 70 HD2 TYR 10 1HD TYR 10 -2.998 6.382 -4.110 71 HE1 TYR 10 2HE TYR 10 -2.258 10.850 -2.182 72 HE2 TYR 10 1HE TYR 10 -0.743 7.361 -4.122 73 HH TYR 10 HH TYR 10 0.029 10.253 -2.368 74 H ILE 11 HN ILE 11 -6.546 6.221 -5.604 75 HA ILE 11 HA ILE 11 -4.754 6.890 -7.667 76 HB ILE 11 HB ILE 11 -7.132 5.034 -7.633 77 HG12 ILE 11 2HG1 ILE 11 -4.172 4.429 -7.556 78 HG13 ILE 11 1HG1 ILE 11 -5.182 4.563 -6.123 79 HG21 ILE 11 1HG2 ILE 11 -6.261 4.028 -9.673 80 HG22 ILE 11 2HG2 ILE 11 -4.986 5.242 -9.745 81 HG23 ILE 11 3HG2 ILE 11 -6.671 5.723 -9.937 82 HD11 ILE 11 3HD1 ILE 11 -4.856 2.250 -6.710 83 HD12 ILE 11 1HD1 ILE 11 -5.488 2.546 -8.330 84 HD13 ILE 11 2HD1 ILE 11 -6.550 2.697 -6.930 85 H LYS 12 HN LYS 12 -8.301 7.198 -7.485 86 HA LYS 12 HA LYS 12 -8.651 8.378 -10.006 87 HB2 LYS 12 2HB LYS 12 -10.316 8.507 -7.500 88 HB3 LYS 12 1HB LYS 12 -10.810 9.273 -9.004 89 HG2 LYS 12 2HG LYS 12 -10.601 7.029 -10.104 90 HG3 LYS 12 1HG LYS 12 -10.372 6.346 -8.493 91 HD2 LYS 12 2HD LYS 12 -12.541 7.110 -7.803 92 HD3 LYS 12 1HD LYS 12 -12.762 7.985 -9.319 93 HE2 LYS 12 2HE LYS 12 -12.604 5.801 -10.514 94 HE3 LYS 12 1HE LYS 12 -12.587 5.000 -8.943 95 HZ1 LYS 12 3HZ LYS 12 -14.760 5.865 -8.472 96 HZ2 LYS 12 1HZ LYS 12 -14.806 5.087 -9.981 97 HZ3 LYS 12 2HZ LYS 12 -14.764 6.780 -9.902 98 H ALA 13 HN ALA 13 -7.803 9.778 -6.910 99 HA ALA 13 HA ALA 13 -8.133 12.488 -7.677 100 HB1 ALA 13 1HB ALA 13 -8.011 11.775 -5.336 101 HB2 ALA 13 2HB ALA 13 -6.815 13.020 -5.703 102 HB3 ALA 13 3HB ALA 13 -6.318 11.333 -5.562 103 H HIS 14 HN HIS 14 -5.910 10.189 -8.743 104 HA HIS 14 HA HIS 14 -4.056 12.311 -9.596 105 HB2 HIS 14 2HB HIS 14 -3.353 9.593 -8.492 106 HB3 HIS 14 1HB HIS 14 -2.211 10.589 -9.387 107 HD1 HIS 14 1HD HIS 14 -3.980 10.351 -6.098 108 HD2 HIS 14 2HD HIS 14 -1.210 12.799 -8.006 109 HE1 HIS 14 1HE HIS 14 -3.033 11.839 -4.300 110 HE2 HIS 14 2HE HIS 14 -1.249 13.199 -5.448 111 H ARG 15 HN ARG 15 -6.259 10.216 -10.723 112 HA ARG 15 HA ARG 15 -4.895 8.848 -12.787 113 HB2 ARG 15 2HB ARG 15 -7.153 8.599 -13.821 114 HB3 ARG 15 1HB ARG 15 -7.072 8.091 -12.143 115 HG2 ARG 15 2HG ARG 15 -8.144 10.123 -11.427 116 HG3 ARG 15 1HG ARG 15 -8.121 10.750 -13.075 117 HD2 ARG 15 2HD ARG 15 -9.490 8.168 -12.393 118 HD3 ARG 15 1HD ARG 15 -10.306 9.721 -12.208 119 HE ARG 15 HE ARG 15 -9.608 9.991 -14.682 120 HH11 ARG 15 1HH1 ARG 15 -10.651 6.998 -13.162 121 HH12 ARG 15 2HH1 ARG 15 -11.303 6.348 -14.628 122 HH21 ARG 15 1HH2 ARG 15 -10.458 9.117 -16.603 123 HH22 ARG 15 2HH2 ARG 15 -11.171 7.528 -16.588 124 H SER 16 HN SER 16 -5.929 12.090 -12.447 125 HA SER 16 HA SER 16 -5.920 12.874 -15.158 126 HB2 SER 16 2HB SER 16 -5.142 14.696 -12.902 127 HB3 SER 16 1HB SER 16 -6.152 15.027 -14.306 128 HG SER 16 HG SER 16 -7.829 14.443 -13.192 129 H SER 17 HN SER 17 -3.446 12.578 -12.684 130 HA SER 17 HA SER 17 -1.400 13.806 -14.313 131 HB2 SER 17 2HB SER 17 -1.439 14.033 -11.824 132 HB3 SER 17 1HB SER 17 -1.120 12.303 -11.696 133 HG SER 17 HG SER 17 0.550 14.148 -13.066 134 H TRP 18 HN TRP 18 -2.544 10.620 -13.491 135 HA TRP 18 HA TRP 18 -0.277 9.317 -14.750 136 HB2 TRP 18 2HB TRP 18 -2.785 8.174 -13.505 137 HB3 TRP 18 1HB TRP 18 -1.446 7.216 -14.133 138 HD1 TRP 18 1HD TRP 18 0.832 9.242 -12.864 139 HE1 TRP 18 1HE TRP 18 1.325 9.031 -10.343 140 HE3 TRP 18 3HE TRP 18 -3.458 6.889 -11.405 141 HZ2 TRP 18 2HZ TRP 18 0.059 7.990 -8.049 142 HZ3 TRP 18 3HZ TRP 18 -3.735 6.313 -9.035 143 HH2 TRP 18 2HH TRP 18 -2.014 6.851 -7.391 144 H LYS 19 HN LYS 19 -2.277 11.028 -16.196 145 HA LYS 19 HA LYS 19 -3.115 9.147 -18.277 146 HB2 LYS 19 2HB LYS 19 -4.881 10.708 -17.431 147 HB3 LYS 19 1HB LYS 19 -3.847 12.068 -17.838 148 HG2 LYS 19 2HG LYS 19 -5.352 11.985 -19.593 149 HG3 LYS 19 1HG LYS 19 -3.936 11.157 -20.237 150 HD2 LYS 19 2HD LYS 19 -5.612 9.717 -20.873 151 HD3 LYS 19 1HD LYS 19 -5.145 9.018 -19.324 152 HE2 LYS 19 2HE LYS 19 -7.427 10.952 -19.711 153 HE3 LYS 19 1HE LYS 19 -7.605 9.200 -19.658 154 HZ1 LYS 19 3HZ LYS 19 -8.105 10.196 -17.526 155 HZ2 LYS 19 1HZ LYS 19 -6.571 10.911 -17.456 156 HZ3 LYS 19 2HZ LYS 19 -6.726 9.223 -17.403 157 H ASN 20 HN ASN 20 -0.616 10.117 -20.306 158 HA ASN 20 HA ASN 20 -3.311 9.031 -20.129 159 HB2 ASN 20 2HB ASN 20 -2.566 9.999 -22.284 160 HB3 ASN 20 1HB ASN 20 -1.243 8.847 -22.337 161 HD21 ASN 20 1HD2 ASN 20 -4.634 9.340 -22.787 162 HD22 ASN 20 2HD2 ASN 20 -4.970 7.796 -23.512 163 H THR 21 HN THR 21 -0.410 8.306 -18.887 164 HA THR 21 HA THR 21 0.308 5.765 -19.736 165 HB THR 21 HB THR 21 1.505 5.563 -17.580 166 HG1 THR 21 1HG THR 21 -0.358 7.386 -16.831 167 HG21 THR 21 3HG2 THR 21 1.704 8.255 -18.935 168 HG22 THR 21 1HG2 THR 21 2.554 6.781 -19.398 169 HG23 THR 21 2HG2 THR 21 2.925 7.568 -17.864 170 H LYS 22 HN LYS 22 0.232 3.732 -18.586 171 HA LYS 22 HA LYS 22 -2.409 3.075 -17.629 172 HB2 LYS 22 2HB LYS 22 0.040 1.578 -18.410 173 HB3 LYS 22 1HB LYS 22 -1.095 0.777 -17.335 174 HG2 LYS 22 2HG LYS 22 -1.984 2.023 -19.913 175 HG3 LYS 22 1HG LYS 22 -1.346 0.376 -19.835 176 HD2 LYS 22 2HD LYS 22 -3.064 -0.167 -18.142 177 HD3 LYS 22 1HD LYS 22 -3.725 1.458 -18.324 178 HE2 LYS 22 2HE LYS 22 -4.382 1.032 -20.562 179 HE3 LYS 22 1HE LYS 22 -3.447 -0.462 -20.626 180 HZ1 LYS 22 3HZ LYS 22 -5.804 -0.012 -18.871 181 HZ2 LYS 22 1HZ LYS 22 -4.943 -1.464 -19.055 182 HZ3 LYS 22 2HZ LYS 22 -5.845 -0.841 -20.350 183 H HIS 23 HN HIS 23 -0.185 4.639 -16.026 184 HA HIS 23 HA HIS 23 0.567 3.074 -13.828 185 HB2 HIS 23 2HB HIS 23 0.265 6.043 -14.201 186 HB3 HIS 23 1HB HIS 23 0.694 5.373 -12.631 187 HD1 HIS 23 1HD HIS 23 3.126 5.305 -12.242 188 HD2 HIS 23 2HD HIS 23 2.206 4.962 -16.284 189 HE1 HIS 23 1HE HIS 23 5.337 5.150 -13.433 190 HE2 HIS 23 2HE HIS 23 4.743 4.725 -15.845 191 H ALA 24 HN ALA 24 -2.298 5.099 -14.308 192 HA ALA 24 HA ALA 24 -3.369 4.935 -11.737 193 HB1 ALA 24 1HB ALA 24 -5.532 5.425 -12.788 194 HB2 ALA 24 2HB ALA 24 -4.840 5.073 -14.371 195 HB3 ALA 24 3HB ALA 24 -4.247 6.447 -13.435 196 H ASP 25 HN ASP 25 -3.832 2.785 -14.525 197 HA ASP 25 HA ASP 25 -5.612 1.006 -13.228 198 HB2 ASP 25 2HB ASP 25 -5.410 1.105 -15.676 199 HB3 ASP 25 1HB ASP 25 -3.772 0.480 -15.571 200 H GLN 26 HN GLN 26 -2.123 0.900 -13.810 201 HA GLN 26 HA GLN 26 -1.685 -1.632 -12.693 202 HB2 GLN 26 2HB GLN 26 0.162 0.711 -13.105 203 HB3 GLN 26 1HB GLN 26 0.700 -0.879 -12.602 204 HG2 GLN 26 2HG GLN 26 -0.700 -0.208 -15.176 205 HG3 GLN 26 1HG GLN 26 1.010 -0.583 -14.983 206 HE21 GLN 26 1HE2 GLN 26 -2.223 -1.864 -15.085 207 HE22 GLN 26 2HE2 GLN 26 -1.771 -3.530 -15.195 208 H TRP 27 HN TRP 27 -1.812 1.558 -11.207 209 HA TRP 27 HA TRP 27 -0.858 0.825 -8.668 210 HB2 TRP 27 2HB TRP 27 -2.588 2.999 -9.721 211 HB3 TRP 27 1HB TRP 27 -2.682 2.675 -7.992 212 HD1 TRP 27 1HD TRP 27 0.109 3.370 -10.615 213 HE1 TRP 27 1HE TRP 27 1.934 4.781 -9.469 214 HE3 TRP 27 3HE TRP 27 -1.864 3.554 -5.901 215 HZ2 TRP 27 2HZ TRP 27 2.456 5.831 -6.895 216 HZ3 TRP 27 3HZ TRP 27 -0.643 4.781 -4.159 217 HH2 TRP 27 2HH TRP 27 1.472 5.896 -4.645 218 H THR 28 HN THR 28 -4.143 0.755 -10.015 219 HA THR 28 HA THR 28 -5.381 -0.389 -7.732 220 HB THR 28 HB THR 28 -6.327 -0.750 -10.579 221 HG1 THR 28 1HG THR 28 -6.044 1.581 -9.111 222 HG21 THR 28 3HG2 THR 28 -7.576 -1.921 -8.825 223 HG22 THR 28 1HG2 THR 28 -8.543 -0.636 -9.550 224 HG23 THR 28 2HG2 THR 28 -7.802 -0.396 -7.968 225 H ASN 29 HN ASN 29 -3.912 -1.677 -10.641 226 HA ASN 29 HA ASN 29 -4.831 -4.284 -10.643 227 HB2 ASN 29 2HB ASN 29 -3.475 -3.030 -12.404 228 HB3 ASN 29 1HB ASN 29 -2.046 -3.468 -11.476 229 HD21 ASN 29 1HD2 ASN 29 -4.516 -4.532 -13.603 230 HD22 ASN 29 2HD2 ASN 29 -3.875 -6.109 -13.904 231 H THR 30 HN THR 30 -1.824 -3.049 -9.174 232 HA THR 30 HA THR 30 -0.979 -5.572 -8.202 233 HB THR 30 HB THR 30 -0.163 -2.871 -7.127 234 HG1 THR 30 1HG THR 30 1.022 -4.303 -9.288 235 HG21 THR 30 3HG2 THR 30 1.312 -5.503 -7.302 236 HG22 THR 30 1HG2 THR 30 0.634 -4.800 -5.834 237 HG23 THR 30 2HG2 THR 30 1.964 -3.993 -6.666 238 H ILE 31 HN ILE 31 -2.719 -2.875 -6.682 239 HA ILE 31 HA ILE 31 -2.705 -3.952 -4.059 240 HB ILE 31 HB ILE 31 -4.601 -1.953 -5.312 241 HG12 ILE 31 2HG1 ILE 31 -2.175 -1.546 -3.546 242 HG13 ILE 31 1HG1 ILE 31 -2.228 -1.259 -5.283 243 HG21 ILE 31 1HG2 ILE 31 -5.623 -2.962 -3.361 244 HG22 ILE 31 2HG2 ILE 31 -5.143 -1.303 -3.000 245 HG23 ILE 31 3HG2 ILE 31 -4.170 -2.652 -2.413 246 HD11 ILE 31 3HD1 ILE 31 -3.831 0.204 -3.199 247 HD12 ILE 31 1HD1 ILE 31 -3.895 0.493 -4.937 248 HD13 ILE 31 2HD1 ILE 31 -2.409 0.817 -4.043 249 H LYS 32 HN LYS 32 -5.001 -4.090 -6.727 250 HA LYS 32 HA LYS 32 -7.102 -5.425 -5.466 251 HB2 LYS 32 2HB LYS 32 -7.174 -4.374 -7.727 252 HB3 LYS 32 1HB LYS 32 -6.182 -5.678 -8.342 253 HG2 LYS 32 2HG LYS 32 -8.792 -6.300 -7.032 254 HG3 LYS 32 1HG LYS 32 -8.751 -5.724 -8.698 255 HD2 LYS 32 2HD LYS 32 -7.258 -7.568 -9.296 256 HD3 LYS 32 1HD LYS 32 -7.286 -8.137 -7.627 257 HE2 LYS 32 2HE LYS 32 -9.726 -8.459 -7.814 258 HE3 LYS 32 1HE LYS 32 -9.637 -7.969 -9.505 259 HZ1 LYS 32 3HZ LYS 32 -8.218 -10.299 -8.330 260 HZ2 LYS 32 1HZ LYS 32 -8.229 -9.855 -9.967 261 HZ3 LYS 32 2HZ LYS 32 -9.658 -10.389 -9.219 262 H THR 33 HN THR 33 -4.100 -6.611 -6.839 263 HA THR 33 HA THR 33 -4.967 -9.358 -6.841 264 HB THR 33 HB THR 33 -2.190 -8.221 -7.248 265 HG1 THR 33 1HG THR 33 -3.770 -7.443 -8.777 266 HG21 THR 33 3HG2 THR 33 -1.754 -10.332 -8.427 267 HG22 THR 33 1HG2 THR 33 -3.374 -10.897 -8.018 268 HG23 THR 33 2HG2 THR 33 -2.188 -10.621 -6.743 269 H TYR 34 HN TYR 34 -2.451 -7.548 -5.043 270 HA TYR 34 HA TYR 34 -1.973 -9.841 -3.363 271 HB2 TYR 34 2HB TYR 34 -0.765 -7.078 -3.357 272 HB3 TYR 34 1HB TYR 34 -0.254 -8.390 -2.296 273 HD1 TYR 34 2HD TYR 34 0.605 -10.533 -3.378 274 HD2 TYR 34 1HD TYR 34 0.107 -6.901 -5.535 275 HE1 TYR 34 2HE TYR 34 2.101 -11.377 -5.133 276 HE2 TYR 34 1HE TYR 34 1.604 -7.740 -7.297 277 HH TYR 34 HH TYR 34 2.478 -10.974 -7.570 278 H CYS 35 HN CYS 35 -3.266 -6.574 -2.847 279 HA CYS 35 HA CYS 35 -3.553 -7.091 -0.012 280 HB2 CYS 35 2HB CYS 35 -4.340 -4.651 -1.618 281 HB3 CYS 35 1HB CYS 35 -4.251 -4.757 0.137 282 HG CYS 35 HG CYS 35 -1.403 -5.403 -0.063 283 H GLY 36 HN GLY 36 -5.554 -6.918 -2.843 284 HA2 GLY 36 2HA GLY 36 -8.054 -6.347 -1.963 285 HA3 GLY 36 1HA GLY 36 -7.733 -7.526 -3.216 286 HA PRO 37 HA PRO 37 -9.279 -10.885 -0.917 287 HB2 PRO 37 2HB PRO 37 -6.689 -12.280 -0.643 288 HB3 PRO 37 1HB PRO 37 -8.169 -12.794 -1.459 289 HG2 PRO 37 2HG PRO 37 -6.018 -12.040 -2.849 290 HG3 PRO 37 1HG PRO 37 -7.657 -11.643 -3.399 291 HD2 PRO 37 2HD PRO 37 -5.649 -9.905 -2.014 292 HD3 PRO 37 1HD PRO 37 -6.735 -9.516 -3.365 293 H VAL 38 HN VAL 38 -6.586 -9.286 0.569 294 HA VAL 38 HA VAL 38 -7.170 -10.643 3.118 295 HB VAL 38 HB VAL 38 -4.687 -9.065 2.435 296 HG11 VAL 38 1HG1 VAL 38 -3.771 -10.133 4.454 297 HG12 VAL 38 2HG1 VAL 38 -5.338 -10.881 4.759 298 HG13 VAL 38 3HG1 VAL 38 -5.173 -9.127 4.826 299 HG21 VAL 38 3HG2 VAL 38 -4.834 -11.084 1.062 300 HG22 VAL 38 1HG2 VAL 38 -5.094 -12.052 2.513 301 HG23 VAL 38 2HG2 VAL 38 -3.556 -11.226 2.271 302 H ILE 39 HN ILE 39 -5.721 -7.458 2.389 303 HA ILE 39 HA ILE 39 -7.296 -6.374 4.604 304 HB ILE 39 HB ILE 39 -5.794 -4.397 4.441 305 HG12 ILE 39 2HG1 ILE 39 -4.287 -6.088 2.430 306 HG13 ILE 39 1HG1 ILE 39 -5.223 -4.648 2.037 307 HG21 ILE 39 1HG2 ILE 39 -4.443 -7.068 4.771 308 HG22 ILE 39 2HG2 ILE 39 -5.312 -6.167 6.013 309 HG23 ILE 39 3HG2 ILE 39 -3.810 -5.527 5.345 310 HD11 ILE 39 3HD1 ILE 39 -2.767 -4.757 3.778 311 HD12 ILE 39 1HD1 ILE 39 -3.707 -3.309 3.414 312 HD13 ILE 39 2HD1 ILE 39 -2.856 -4.155 2.123 313 H GLY 40 HN GLY 40 -7.773 -6.725 1.453 314 HA2 GLY 40 2HA GLY 40 -8.417 -4.242 0.387 315 HA3 GLY 40 1HA GLY 40 -9.194 -5.753 -0.057 316 HA PRO 41 HA PRO 41 -12.931 -4.528 1.920 317 HB2 PRO 41 2HB PRO 41 -13.171 -6.897 3.611 318 HB3 PRO 41 1HB PRO 41 -14.113 -6.440 2.191 319 HG2 PRO 41 2HG PRO 41 -12.375 -8.511 2.172 320 HG3 PRO 41 1HG PRO 41 -12.689 -7.519 0.735 321 HD2 PRO 41 2HD PRO 41 -10.395 -7.399 2.660 322 HD3 PRO 41 1HD PRO 41 -10.384 -7.288 0.886 323 H LEU 42 HN LEU 42 -10.219 -4.974 3.874 324 HA LEU 42 HA LEU 42 -11.477 -4.463 6.402 325 HB2 LEU 42 2HB LEU 42 -8.591 -4.373 5.541 326 HB3 LEU 42 1HB LEU 42 -9.121 -4.077 7.185 327 HG LEU 42 HG LEU 42 -9.441 -6.658 5.650 328 HD11 LEU 42 1HD1 LEU 42 -7.149 -6.206 6.396 329 HD12 LEU 42 2HD1 LEU 42 -7.873 -7.560 7.263 330 HD13 LEU 42 3HD1 LEU 42 -7.738 -5.985 8.045 331 HD21 LEU 42 3HD2 LEU 42 -10.239 -5.953 8.471 332 HD22 LEU 42 1HD2 LEU 42 -10.291 -7.565 7.760 333 HD23 LEU 42 2HD2 LEU 42 -11.332 -6.291 7.128 334 H SER 43 HN SER 43 -11.644 -2.555 7.493 335 HA SER 43 HA SER 43 -11.829 -0.174 6.052 336 HB2 SER 43 2HB SER 43 -11.609 -0.573 9.033 337 HB3 SER 43 1HB SER 43 -12.379 0.753 8.189 338 HG SER 43 HG SER 43 -13.688 -1.158 9.027 339 H VAL 44 HN VAL 44 -10.505 1.629 6.000 340 HA VAL 44 HA VAL 44 -7.746 1.098 5.930 341 HB VAL 44 HB VAL 44 -8.843 2.750 4.484 342 HG11 VAL 44 1HG1 VAL 44 -9.038 4.418 6.984 343 HG12 VAL 44 2HG1 VAL 44 -10.378 3.761 6.045 344 HG13 VAL 44 3HG1 VAL 44 -9.337 5.004 5.348 345 HG21 VAL 44 3HG2 VAL 44 -6.434 2.858 4.738 346 HG22 VAL 44 1HG2 VAL 44 -6.607 3.879 6.166 347 HG23 VAL 44 2HG2 VAL 44 -7.096 4.485 4.584 348 H GLN 45 HN GLN 45 -9.747 2.324 8.488 349 HA GLN 45 HA GLN 45 -7.522 3.372 10.018 350 HB2 GLN 45 2HB GLN 45 -9.806 4.355 10.146 351 HB3 GLN 45 1HB GLN 45 -10.370 2.865 10.894 352 HG2 GLN 45 2HG GLN 45 -8.856 3.225 12.770 353 HG3 GLN 45 1HG GLN 45 -8.267 4.706 12.017 354 HE21 GLN 45 1HE2 GLN 45 -8.907 5.987 13.736 355 HE22 GLN 45 2HE2 GLN 45 -10.573 6.334 14.034 356 H ASP 46 HN ASP 46 -9.081 0.381 9.541 357 HA ASP 46 HA ASP 46 -8.365 -0.708 12.128 358 HB2 ASP 46 2HB ASP 46 -9.856 -1.820 9.754 359 HB3 ASP 46 1HB ASP 46 -9.443 -2.793 11.157 360 H VAL 47 HN VAL 47 -7.276 -0.789 8.814 361 HA VAL 47 HA VAL 47 -5.556 -3.025 9.019 362 HB VAL 47 HB VAL 47 -5.267 -0.599 7.230 363 HG11 VAL 47 1HG1 VAL 47 -3.197 -1.898 7.418 364 HG12 VAL 47 2HG1 VAL 47 -3.907 -2.035 5.810 365 HG13 VAL 47 3HG1 VAL 47 -4.075 -3.359 6.963 366 HG21 VAL 47 3HG2 VAL 47 -6.346 -2.026 5.524 367 HG22 VAL 47 1HG2 VAL 47 -7.408 -1.660 6.884 368 HG23 VAL 47 2HG2 VAL 47 -6.640 -3.244 6.765 369 H ASP 48 HN ASP 48 -3.871 -3.235 10.332 370 HA ASP 48 HA ASP 48 -2.367 -0.818 11.090 371 HB2 ASP 48 2HB ASP 48 -2.001 -1.664 13.219 372 HB3 ASP 48 1HB ASP 48 -3.614 -2.274 12.884 373 H THR 49 HN THR 49 -0.127 -1.800 12.084 374 HA THR 49 HA THR 49 1.459 -2.346 9.847 375 HB THR 49 HB THR 49 2.161 -2.865 12.743 376 HG1 THR 49 1HG THR 49 2.658 -0.472 11.297 377 HG21 THR 49 3HG2 THR 49 3.789 -3.745 11.121 378 HG22 THR 49 1HG2 THR 49 4.449 -2.386 12.032 379 HG23 THR 49 2HG2 THR 49 3.895 -2.152 10.374 380 H LYS 50 HN LYS 50 0.141 -4.514 12.341 381 HA LYS 50 HA LYS 50 1.702 -6.768 11.566 382 HB2 LYS 50 2HB LYS 50 0.361 -6.214 13.785 383 HB3 LYS 50 1HB LYS 50 -0.922 -7.083 12.961 384 HG2 LYS 50 2HG LYS 50 1.816 -8.254 13.311 385 HG3 LYS 50 1HG LYS 50 0.564 -8.395 14.543 386 HD2 LYS 50 2HD LYS 50 -0.874 -9.584 13.036 387 HD3 LYS 50 1HD LYS 50 0.227 -9.288 11.687 388 HE2 LYS 50 2HE LYS 50 0.408 -11.580 12.593 389 HE3 LYS 50 1HE LYS 50 1.916 -10.675 12.706 390 HZ1 LYS 50 3HZ LYS 50 1.527 -10.299 15.024 391 HZ2 LYS 50 1HZ LYS 50 1.380 -11.960 14.727 392 HZ3 LYS 50 2HZ LYS 50 -0.004 -11.011 14.949 393 H LEU 51 HN LEU 51 -1.586 -5.675 10.812 394 HA LEU 51 HA LEU 51 -2.367 -7.893 9.287 395 HB2 LEU 51 2HB LEU 51 -3.166 -4.995 9.110 396 HB3 LEU 51 1HB LEU 51 -3.937 -6.268 8.193 397 HG LEU 51 HG LEU 51 -3.886 -6.033 11.193 398 HD11 LEU 51 1HD1 LEU 51 -6.297 -5.670 10.964 399 HD12 LEU 51 2HD1 LEU 51 -6.124 -5.676 9.208 400 HD13 LEU 51 3HD1 LEU 51 -5.359 -4.408 10.169 401 HD21 LEU 51 3HD2 LEU 51 -3.863 -8.364 10.527 402 HD22 LEU 51 1HD2 LEU 51 -5.210 -8.083 9.423 403 HD23 LEU 51 2HD2 LEU 51 -5.448 -7.927 11.164 404 H ILE 52 HN ILE 52 -0.588 -4.972 8.419 405 HA ILE 52 HA ILE 52 -0.449 -5.516 5.635 406 HB ILE 52 HB ILE 52 1.385 -3.831 7.351 407 HG12 ILE 52 2HG1 ILE 52 -0.947 -3.018 5.606 408 HG13 ILE 52 1HG1 ILE 52 -1.012 -3.158 7.358 409 HG21 ILE 52 1HG2 ILE 52 2.454 -4.442 5.250 410 HG22 ILE 52 2HG2 ILE 52 2.027 -2.731 5.258 411 HG23 ILE 52 3HG2 ILE 52 1.042 -3.881 4.354 412 HD11 ILE 52 3HD1 ILE 52 0.723 -1.252 5.808 413 HD12 ILE 52 1HD1 ILE 52 0.658 -1.393 7.565 414 HD13 ILE 52 2HD1 ILE 52 -0.761 -0.846 6.671 415 H MET 53 HN MET 53 1.591 -6.330 8.394 416 HA MET 53 HA MET 53 3.774 -7.428 7.057 417 HB2 MET 53 2HB MET 53 2.498 -8.209 9.675 418 HB3 MET 53 1HB MET 53 3.986 -8.931 9.090 419 HG2 MET 53 2HG MET 53 5.048 -6.727 9.096 420 HG3 MET 53 1HG MET 53 3.550 -6.021 9.707 421 HE1 MET 53 3HE MET 53 6.037 -5.929 12.783 422 HE2 MET 53 1HE MET 53 5.045 -4.955 11.697 423 HE3 MET 53 2HE MET 53 6.483 -5.770 11.084 424 H LYS 54 HN LYS 54 0.709 -8.932 7.995 425 HA LYS 54 HA LYS 54 1.287 -11.538 7.173 426 HB2 LYS 54 2HB LYS 54 -1.362 -10.098 7.289 427 HB3 LYS 54 1HB LYS 54 -1.193 -11.827 7.019 428 HG2 LYS 54 2HG LYS 54 0.117 -11.832 9.229 429 HG3 LYS 54 1HG LYS 54 -0.600 -10.241 9.487 430 HD2 LYS 54 2HD LYS 54 -1.965 -11.944 10.545 431 HD3 LYS 54 1HD LYS 54 -2.841 -11.231 9.187 432 HE2 LYS 54 2HE LYS 54 -2.293 -13.125 7.789 433 HE3 LYS 54 1HE LYS 54 -1.288 -13.816 9.063 434 HZ1 LYS 54 3HZ LYS 54 -3.458 -14.873 8.946 435 HZ2 LYS 54 1HZ LYS 54 -4.224 -13.385 9.225 436 HZ3 LYS 54 2HZ LYS 54 -3.249 -14.076 10.431 437 H VAL 55 HN VAL 55 0.110 -8.777 5.352 438 HA VAL 55 HA VAL 55 -0.462 -10.236 2.967 439 HB VAL 55 HB VAL 55 0.124 -7.285 3.281 440 HG11 VAL 55 1HG1 VAL 55 -1.260 -8.782 1.054 441 HG12 VAL 55 2HG1 VAL 55 0.327 -8.018 0.968 442 HG13 VAL 55 3HG1 VAL 55 -1.118 -7.029 1.181 443 HG21 VAL 55 3HG2 VAL 55 -2.499 -8.772 3.329 444 HG22 VAL 55 1HG2 VAL 55 -2.323 -7.017 3.304 445 HG23 VAL 55 2HG2 VAL 55 -1.735 -7.943 4.685 446 H LEU 56 HN LEU 56 2.322 -8.369 4.115 447 HA LEU 56 HA LEU 56 3.728 -8.590 1.626 448 HB2 LEU 56 2HB LEU 56 4.637 -7.695 4.355 449 HB3 LEU 56 1HB LEU 56 5.626 -7.610 2.910 450 HG LEU 56 HG LEU 56 3.034 -6.127 3.364 451 HD11 LEU 56 1HD1 LEU 56 4.877 -5.245 4.692 452 HD12 LEU 56 2HD1 LEU 56 4.457 -4.136 3.386 453 HD13 LEU 56 3HD1 LEU 56 5.889 -5.158 3.251 454 HD21 LEU 56 3HD2 LEU 56 3.343 -6.731 1.019 455 HD22 LEU 56 1HD2 LEU 56 4.959 -6.028 1.045 456 HD23 LEU 56 2HD2 LEU 56 3.547 -4.996 1.265 457 H ASP 57 HN ASP 57 3.641 -10.432 4.577 458 HA ASP 57 HA ASP 57 6.107 -11.622 4.688 459 HB2 ASP 57 2HB ASP 57 4.049 -11.899 6.235 460 HB3 ASP 57 1HB ASP 57 3.621 -13.237 5.186 461 HA PRO 58 HA PRO 58 4.865 -15.171 1.702 462 HB2 PRO 58 2HB PRO 58 2.618 -14.971 0.218 463 HB3 PRO 58 1HB PRO 58 2.626 -15.655 1.847 464 HG2 PRO 58 2HG PRO 58 1.840 -12.913 0.948 465 HG3 PRO 58 1HG PRO 58 1.042 -13.978 2.121 466 HD2 PRO 58 2HD PRO 58 2.664 -11.918 2.852 467 HD3 PRO 58 1HD PRO 58 2.481 -13.392 3.821 468 H ILE 59 HN ILE 59 4.544 -11.844 0.888 469 HA ILE 59 HA ILE 59 4.959 -12.228 -1.944 470 HB ILE 59 HB ILE 59 5.169 -9.657 -0.368 471 HG12 ILE 59 2HG1 ILE 59 2.824 -10.805 -1.901 472 HG13 ILE 59 1HG1 ILE 59 2.943 -10.713 -0.149 473 HG21 ILE 59 1HG2 ILE 59 4.830 -8.573 -2.531 474 HG22 ILE 59 2HG2 ILE 59 4.781 -10.149 -3.321 475 HG23 ILE 59 3HG2 ILE 59 6.270 -9.592 -2.557 476 HD11 ILE 59 3HD1 ILE 59 3.024 -8.266 -0.305 477 HD12 ILE 59 1HD1 ILE 59 1.543 -8.942 -0.984 478 HD13 ILE 59 2HD1 ILE 59 2.833 -8.390 -2.055 479 H TRP 60 HN TRP 60 6.914 -11.547 0.889 480 HA TRP 60 HA TRP 60 9.330 -10.888 -0.391 481 HB2 TRP 60 2HB TRP 60 8.843 -12.325 2.224 482 HB3 TRP 60 1HB TRP 60 10.424 -11.772 1.688 483 HD1 TRP 60 1HD TRP 60 7.659 -10.712 3.792 484 HE1 TRP 60 1HE TRP 60 7.752 -8.187 4.270 485 HE3 TRP 60 3HE TRP 60 11.046 -9.330 0.217 486 HZ2 TRP 60 2HZ TRP 60 9.079 -5.904 3.260 487 HZ3 TRP 60 3HZ TRP 60 11.672 -6.959 0.040 488 HH2 TRP 60 2HH TRP 60 10.708 -5.280 1.530 489 H GLU 61 HN GLU 61 7.661 -13.873 -0.032 490 HA GLU 61 HA GLU 61 9.783 -15.655 -0.592 491 HB2 GLU 61 2HB GLU 61 6.805 -15.744 -0.556 492 HB3 GLU 61 1HB GLU 61 7.661 -17.031 -1.374 493 HG2 GLU 61 2HG GLU 61 8.398 -16.285 1.415 494 HG3 GLU 61 1HG GLU 61 6.990 -17.301 1.107 495 H GLN 62 HN GLN 62 7.299 -14.088 -2.566 496 HA GLN 62 HA GLN 62 8.193 -15.418 -4.950 497 HB2 GLN 62 2HB GLN 62 5.795 -15.091 -4.349 498 HB3 GLN 62 1HB GLN 62 6.022 -13.358 -4.559 499 HG2 GLN 62 2HG GLN 62 6.629 -13.726 -6.878 500 HG3 GLN 62 1HG GLN 62 6.380 -15.455 -6.662 501 HE21 GLN 62 1HE2 GLN 62 4.854 -12.357 -6.945 502 HE22 GLN 62 2HE2 GLN 62 3.243 -12.943 -7.185 503 H LYS 63 HN LYS 63 7.736 -11.999 -3.946 504 HA LYS 63 HA LYS 63 9.755 -11.213 -5.920 505 HB2 LYS 63 2HB LYS 63 7.125 -9.757 -5.725 506 HB3 LYS 63 1HB LYS 63 8.381 -9.563 -6.935 507 HG2 LYS 63 2HG LYS 63 7.878 -11.866 -7.729 508 HG3 LYS 63 1HG LYS 63 6.520 -11.903 -6.603 509 HD2 LYS 63 2HD LYS 63 5.526 -11.240 -8.598 510 HD3 LYS 63 1HD LYS 63 5.799 -9.708 -7.765 511 HE2 LYS 63 2HE LYS 63 6.481 -9.455 -10.048 512 HE3 LYS 63 1HE LYS 63 7.924 -9.468 -9.035 513 HZ1 LYS 63 3HZ LYS 63 8.362 -11.720 -9.646 514 HZ2 LYS 63 1HZ LYS 63 8.110 -10.838 -11.072 515 HZ3 LYS 63 2HZ LYS 63 6.888 -11.848 -10.473 516 HA PRO 64 HA PRO 64 10.549 -9.257 -1.812 517 HB2 PRO 64 2HB PRO 64 13.108 -8.809 -3.268 518 HB3 PRO 64 1HB PRO 64 12.837 -9.365 -1.613 519 HG2 PRO 64 2HG PRO 64 13.554 -11.080 -3.512 520 HG3 PRO 64 1HG PRO 64 12.364 -11.537 -2.279 521 HD2 PRO 64 2HD PRO 64 11.943 -10.800 -5.141 522 HD3 PRO 64 1HD PRO 64 11.086 -11.990 -4.143 523 H GLU 65 HN GLU 65 11.706 -7.882 -4.915 524 HA GLU 65 HA GLU 65 11.748 -5.227 -3.932 525 HB2 GLU 65 2HB GLU 65 13.037 -5.980 -5.917 526 HB3 GLU 65 1HB GLU 65 11.527 -6.116 -6.803 527 HG2 GLU 65 2HG GLU 65 11.130 -3.726 -6.509 528 HG3 GLU 65 1HG GLU 65 12.643 -3.583 -5.618 529 H THR 66 HN THR 66 9.319 -7.167 -5.540 530 HA THR 66 HA THR 66 7.538 -5.014 -6.078 531 HB THR 66 HB THR 66 6.936 -7.972 -5.867 532 HG1 THR 66 1HG THR 66 8.470 -7.514 -7.485 533 HG21 THR 66 3HG2 THR 66 5.379 -5.743 -7.193 534 HG22 THR 66 1HG2 THR 66 4.903 -6.596 -5.723 535 HG23 THR 66 2HG2 THR 66 4.982 -7.460 -7.259 536 H ALA 67 HN ALA 67 7.978 -7.222 -3.375 537 HA ALA 67 HA ALA 67 5.729 -6.483 -1.860 538 HB1 ALA 67 1HB ALA 67 7.153 -8.379 -1.262 539 HB2 ALA 67 2HB ALA 67 6.997 -7.255 0.088 540 HB3 ALA 67 3HB ALA 67 8.474 -7.275 -0.879 541 H SER 68 HN SER 68 8.936 -5.062 -2.180 542 HA SER 68 HA SER 68 8.566 -3.025 -0.239 543 HB2 SER 68 2HB SER 68 10.448 -3.070 -2.614 544 HB3 SER 68 1HB SER 68 10.586 -2.028 -1.197 545 HG SER 68 HG SER 68 10.522 -4.839 -0.951 546 H ARG 69 HN ARG 69 8.103 -3.167 -3.749 547 HA ARG 69 HA ARG 69 7.470 -0.437 -4.081 548 HB2 ARG 69 2HB ARG 69 6.879 -2.853 -5.791 549 HB3 ARG 69 1HB ARG 69 6.570 -1.202 -6.286 550 HG2 ARG 69 2HG ARG 69 8.980 -0.709 -5.992 551 HG3 ARG 69 1HG ARG 69 9.234 -2.420 -5.654 552 HD2 ARG 69 2HD ARG 69 8.052 -1.325 -8.199 553 HD3 ARG 69 1HD ARG 69 9.740 -1.786 -7.996 554 HE ARG 69 HE ARG 69 8.022 -3.936 -7.308 555 HH11 ARG 69 1HH1 ARG 69 9.314 -2.199 -10.043 556 HH12 ARG 69 2HH1 ARG 69 9.179 -3.538 -11.136 557 HH21 ARG 69 1HH2 ARG 69 7.821 -5.731 -8.758 558 HH22 ARG 69 2HH2 ARG 69 8.301 -5.527 -10.418 559 H LEU 70 HN LEU 70 5.523 -3.301 -3.426 560 HA LEU 70 HA LEU 70 2.997 -2.034 -3.646 561 HB2 LEU 70 2HB LEU 70 3.247 -4.475 -3.592 562 HB3 LEU 70 1HB LEU 70 3.833 -4.388 -1.942 563 HG LEU 70 HG LEU 70 1.622 -3.467 -1.256 564 HD11 LEU 70 1HD1 LEU 70 -0.266 -3.685 -2.788 565 HD12 LEU 70 2HD1 LEU 70 0.832 -4.166 -4.081 566 HD13 LEU 70 3HD1 LEU 70 0.928 -2.541 -3.399 567 HD21 LEU 70 3HD2 LEU 70 2.130 -5.825 -0.983 568 HD22 LEU 70 1HD2 LEU 70 1.587 -6.148 -2.632 569 HD23 LEU 70 2HD2 LEU 70 0.433 -5.605 -1.415 570 H ARG 71 HN ARG 71 5.196 -2.584 -0.933 571 HA ARG 71 HA ARG 71 3.644 -1.408 1.085 572 HB2 ARG 71 2HB ARG 71 5.563 -2.771 1.627 573 HB3 ARG 71 1HB ARG 71 6.643 -1.678 0.782 574 HG2 ARG 71 2HG ARG 71 5.060 -0.552 3.015 575 HG3 ARG 71 1HG ARG 71 6.370 -1.664 3.424 576 HD2 ARG 71 2HD ARG 71 7.993 -0.293 2.430 577 HD3 ARG 71 1HD ARG 71 6.787 0.638 1.542 578 HE ARG 71 HE ARG 71 6.812 0.780 4.472 579 HH11 ARG 71 1HH1 ARG 71 7.423 2.287 1.377 580 HH12 ARG 71 2HH1 ARG 71 7.475 3.900 2.013 581 HH21 ARG 71 1HH2 ARG 71 6.887 2.890 5.333 582 HH22 ARG 71 2HH2 ARG 71 7.133 4.252 4.273 583 H GLY 72 HN GLY 72 5.922 -0.038 -1.205 584 HA2 GLY 72 2HA GLY 72 6.097 2.553 -0.152 585 HA3 GLY 72 1HA GLY 72 6.357 2.123 -1.835 586 H ARG 73 HN ARG 73 3.789 1.233 -2.532 587 HA ARG 73 HA ARG 73 2.507 3.764 -2.865 588 HB2 ARG 73 2HB ARG 73 0.816 2.582 -4.163 589 HB3 ARG 73 1HB ARG 73 2.435 2.122 -4.664 590 HG2 ARG 73 2HG ARG 73 2.232 0.042 -3.405 591 HG3 ARG 73 1HG ARG 73 0.604 0.507 -2.904 592 HD2 ARG 73 2HD ARG 73 0.499 -1.023 -4.782 593 HD3 ARG 73 1HD ARG 73 -0.087 0.570 -5.258 594 HE ARG 73 HE ARG 73 2.671 0.328 -5.846 595 HH11 ARG 73 1HH1 ARG 73 -0.477 -0.710 -6.958 596 HH12 ARG 73 2HH1 ARG 73 0.045 -0.988 -8.592 597 HH21 ARG 73 1HH2 ARG 73 3.365 0.008 -7.992 598 HH22 ARG 73 2HH2 ARG 73 2.232 -0.565 -9.180 599 H ILE 74 HN ILE 74 1.974 0.969 -0.811 600 HA ILE 74 HA ILE 74 -0.564 1.620 0.179 601 HB ILE 74 HB ILE 74 1.728 0.184 1.528 602 HG12 ILE 74 2HG1 ILE 74 -0.797 -0.848 0.219 603 HG13 ILE 74 1HG1 ILE 74 0.813 -0.887 -0.499 604 HG21 ILE 74 1HG2 ILE 74 -1.156 0.307 2.408 605 HG22 ILE 74 2HG2 ILE 74 0.196 1.117 3.202 606 HG23 ILE 74 3HG2 ILE 74 0.129 -0.645 3.151 607 HD11 ILE 74 3HD1 ILE 74 -0.045 -2.333 2.002 608 HD12 ILE 74 1HD1 ILE 74 1.569 -2.366 1.290 609 HD13 ILE 74 2HD1 ILE 74 0.202 -3.050 0.410 610 H GLU 75 HN GLU 75 2.662 2.669 1.183 611 HA GLU 75 HA GLU 75 2.046 4.104 3.475 612 HB2 GLU 75 2HB GLU 75 4.339 3.692 2.670 613 HB3 GLU 75 1HB GLU 75 4.069 4.796 1.332 614 HG2 GLU 75 2HG GLU 75 3.669 6.599 3.027 615 HG3 GLU 75 1HG GLU 75 4.219 5.464 4.257 616 H SER 76 HN SER 76 2.048 5.177 0.104 617 HA SER 76 HA SER 76 1.323 7.838 0.573 618 HB2 SER 76 2HB SER 76 0.875 6.125 -1.861 619 HB3 SER 76 1HB SER 76 0.730 7.880 -1.823 620 HG SER 76 HG SER 76 2.898 6.535 -2.302 621 H VAL 77 HN VAL 77 -0.632 4.951 0.134 622 HA VAL 77 HA VAL 77 -3.116 6.323 -0.145 623 HB VAL 77 HB VAL 77 -2.580 3.460 0.669 624 HG11 VAL 77 1HG1 VAL 77 -4.800 4.187 1.371 625 HG12 VAL 77 2HG1 VAL 77 -4.913 3.045 0.031 626 HG13 VAL 77 3HG1 VAL 77 -5.136 4.770 -0.259 627 HG21 VAL 77 3HG2 VAL 77 -3.283 4.652 -2.014 628 HG22 VAL 77 1HG2 VAL 77 -3.108 2.931 -1.662 629 HG23 VAL 77 2HG2 VAL 77 -1.710 4.001 -1.547 630 H LEU 78 HN LEU 78 -1.538 4.670 2.576 631 HA LEU 78 HA LEU 78 -3.668 5.041 4.385 632 HB2 LEU 78 2HB LEU 78 -0.738 4.546 4.877 633 HB3 LEU 78 1HB LEU 78 -1.958 4.531 6.137 634 HG LEU 78 HG LEU 78 -1.855 2.654 3.773 635 HD11 LEU 78 1HD1 LEU 78 -1.347 0.950 5.472 636 HD12 LEU 78 2HD1 LEU 78 -1.263 2.216 6.698 637 HD13 LEU 78 3HD1 LEU 78 -0.095 2.188 5.377 638 HD21 LEU 78 3HD2 LEU 78 -3.666 1.471 4.931 639 HD22 LEU 78 1HD2 LEU 78 -4.141 3.104 4.462 640 HD23 LEU 78 2HD2 LEU 78 -3.721 2.755 6.139 641 H ASP 79 HN ASP 79 -0.736 6.961 3.790 642 HA ASP 79 HA ASP 79 -1.239 8.787 5.910 643 HB2 ASP 79 2HB ASP 79 0.675 8.621 3.675 644 HB3 ASP 79 1HB ASP 79 0.297 10.255 4.214 645 H TRP 80 HN TRP 80 -2.309 8.612 2.593 646 HA TRP 80 HA TRP 80 -3.343 11.258 2.445 647 HB2 TRP 80 2HB TRP 80 -2.946 9.944 0.423 648 HB3 TRP 80 1HB TRP 80 -4.144 8.762 0.933 649 HD1 TRP 80 1HD TRP 80 -3.955 12.470 -0.153 650 HE1 TRP 80 1HE TRP 80 -6.204 13.112 -1.231 651 HE3 TRP 80 3HE TRP 80 -6.514 8.125 0.688 652 HZ2 TRP 80 2HZ TRP 80 -8.728 11.916 -1.672 653 HZ3 TRP 80 3HZ TRP 80 -8.839 7.957 -0.098 654 HH2 TRP 80 2HH TRP 80 -9.921 9.814 -1.251 655 H ALA 81 HN ALA 81 -4.683 8.139 3.397 656 HA ALA 81 HA ALA 81 -7.331 8.917 3.863 657 HB1 ALA 81 1HB ALA 81 -5.693 6.839 5.317 658 HB2 ALA 81 2HB ALA 81 -6.631 6.581 3.845 659 HB3 ALA 81 3HB ALA 81 -7.451 6.974 5.357 660 H THR 82 HN THR 82 -4.440 9.130 5.867 661 HA THR 82 HA THR 82 -5.645 10.063 8.225 662 HB THR 82 HB THR 82 -2.890 10.747 7.192 663 HG1 THR 82 1HG THR 82 -2.249 8.844 8.250 664 HG21 THR 82 3HG2 THR 82 -3.570 12.092 9.118 665 HG22 THR 82 1HG2 THR 82 -2.320 10.931 9.575 666 HG23 THR 82 2HG2 THR 82 -4.004 10.626 9.998 667 H VAL 83 HN VAL 83 -4.372 11.799 5.400 668 HA VAL 83 HA VAL 83 -4.823 14.412 6.339 669 HB VAL 83 HB VAL 83 -4.875 13.421 3.479 670 HG11 VAL 83 1HG1 VAL 83 -5.899 15.623 3.703 671 HG12 VAL 83 2HG1 VAL 83 -4.348 15.737 2.870 672 HG13 VAL 83 3HG1 VAL 83 -4.476 16.210 4.565 673 HG21 VAL 83 3HG2 VAL 83 -2.604 14.533 5.129 674 HG22 VAL 83 1HG2 VAL 83 -2.531 14.144 3.410 675 HG23 VAL 83 2HG2 VAL 83 -2.788 12.862 4.592 676 H ARG 84 HN ARG 84 -6.885 12.124 4.617 677 HA ARG 84 HA ARG 84 -9.104 13.933 4.407 678 HB2 ARG 84 2HB ARG 84 -8.718 11.007 3.898 679 HB3 ARG 84 1HB ARG 84 -10.333 11.696 3.920 680 HG2 ARG 84 2HG ARG 84 -8.081 12.542 2.113 681 HG3 ARG 84 1HG ARG 84 -9.465 11.546 1.657 682 HD2 ARG 84 2HD ARG 84 -10.844 13.565 2.575 683 HD3 ARG 84 1HD ARG 84 -9.348 14.457 2.306 684 HE ARG 84 HE ARG 84 -10.459 12.887 0.104 685 HH11 ARG 84 1HH1 ARG 84 -9.699 16.013 1.499 686 HH12 ARG 84 2HH1 ARG 84 -10.123 16.890 0.058 687 HH21 ARG 84 1HH2 ARG 84 -10.973 14.024 -1.786 688 HH22 ARG 84 2HH2 ARG 84 -10.793 15.754 -1.835 689 H GLY 85 HN GLY 85 -7.803 12.305 7.007 690 HA2 GLY 85 2HA GLY 85 -8.556 12.238 9.189 691 HA3 GLY 85 1HA GLY 85 -10.069 12.949 8.650 692 H TYR 86 HN TYR 86 -8.807 10.028 7.208 693 HA TYR 86 HA TYR 86 -11.120 8.551 8.143 694 HB2 TYR 86 2HB TYR 86 -8.871 7.922 6.249 695 HB3 TYR 86 1HB TYR 86 -9.928 6.647 6.845 696 HD1 TYR 86 1HD TYR 86 -12.422 6.870 6.423 697 HD2 TYR 86 2HD TYR 86 -9.522 9.267 4.446 698 HE1 TYR 86 1HE TYR 86 -14.057 7.381 4.661 699 HE2 TYR 86 2HE TYR 86 -11.150 9.791 2.678 700 HH TYR 86 HH TYR 86 -14.490 9.064 2.998 701 H ARG 87 HN ARG 87 -7.780 8.893 8.928 702 HA ARG 87 HA ARG 87 -8.128 7.096 11.181 703 HB2 ARG 87 2HB ARG 87 -5.899 6.024 10.718 704 HB3 ARG 87 1HB ARG 87 -7.198 5.552 9.633 705 HG2 ARG 87 2HG ARG 87 -6.248 6.572 7.829 706 HG3 ARG 87 1HG ARG 87 -5.451 7.807 8.804 707 HD2 ARG 87 2HD ARG 87 -3.959 6.062 7.711 708 HD3 ARG 87 1HD ARG 87 -3.721 6.343 9.433 709 HE ARG 87 HE ARG 87 -5.204 4.041 8.328 710 HH11 ARG 87 1HH1 ARG 87 -3.108 5.496 10.718 711 HH12 ARG 87 2HH1 ARG 87 -2.911 4.029 11.634 712 HH21 ARG 87 1HH2 ARG 87 -4.930 2.089 9.515 713 HH22 ARG 87 2HH2 ARG 87 -3.931 2.092 10.933 714 H GLU 88 HN GLU 88 -6.018 7.138 12.516 715 HA GLU 88 HA GLU 88 -5.438 9.886 13.090 716 HB2 GLU 88 2HB GLU 88 -4.612 7.273 14.342 717 HB3 GLU 88 1HB GLU 88 -3.949 8.808 14.884 718 HG2 GLU 88 2HG GLU 88 -5.811 8.018 16.276 719 HG3 GLU 88 1HG GLU 88 -6.133 9.580 15.530 720 H GLY 89 HN GLY 89 -3.097 10.476 13.585 721 HA2 GLY 89 2HA GLY 89 -1.734 10.385 11.082 722 HA3 GLY 89 1HA GLY 89 -1.193 11.211 12.532 723 H ASP 90 HN ASP 90 0.656 10.136 11.035 724 HA ASP 90 HA ASP 90 2.453 8.815 10.930 725 HB2 ASP 90 2HB ASP 90 2.514 9.240 13.370 726 HB3 ASP 90 1HB ASP 90 1.628 7.744 13.616 727 H ASN 91 HN ASN 91 2.847 7.098 9.810 728 HA ASN 91 HA ASN 91 0.514 5.545 9.067 729 HB2 ASN 91 2HB ASN 91 2.135 6.754 7.502 730 HB3 ASN 91 1HB ASN 91 3.285 5.478 7.861 731 HD21 ASN 91 1HD2 ASN 91 1.816 6.411 5.423 732 HD22 ASN 91 2HD2 ASN 91 1.130 4.963 4.758 733 HA PRO 92 HA PRO 92 1.908 1.838 11.184 734 HB2 PRO 92 2HB PRO 92 0.224 0.077 10.000 735 HB3 PRO 92 1HB PRO 92 -0.303 1.208 11.254 736 HG2 PRO 92 2HG PRO 92 -0.584 1.404 8.278 737 HG3 PRO 92 1HG PRO 92 -1.770 1.776 9.545 738 HD2 PRO 92 2HD PRO 92 -0.318 3.692 8.284 739 HD3 PRO 92 1HD PRO 92 -0.852 3.843 9.971 740 H ALA 93 HN ALA 93 1.876 2.281 7.733 741 HA ALA 93 HA ALA 93 3.493 -0.120 7.275 742 HB1 ALA 93 1HB ALA 93 1.644 0.346 5.724 743 HB2 ALA 93 2HB ALA 93 3.205 0.367 4.901 744 HB3 ALA 93 3HB ALA 93 2.395 1.883 5.299 745 H ARG 94 HN ARG 94 4.229 2.604 8.554 746 HA ARG 94 HA ARG 94 6.052 3.917 6.847 747 HB2 ARG 94 2HB ARG 94 4.948 4.887 8.856 748 HB3 ARG 94 1HB ARG 94 5.990 3.894 9.864 749 HG2 ARG 94 2HG ARG 94 7.939 5.049 9.072 750 HG3 ARG 94 1HG ARG 94 6.963 5.970 7.919 751 HD2 ARG 94 2HD ARG 94 5.679 6.877 9.849 752 HD3 ARG 94 1HD ARG 94 6.815 6.070 10.928 753 HE ARG 94 HE ARG 94 8.402 7.574 9.319 754 HH11 ARG 94 1HH1 ARG 94 5.579 8.260 11.284 755 HH12 ARG 94 2HH1 ARG 94 6.088 9.883 11.669 756 HH21 ARG 94 1HH2 ARG 94 9.090 9.684 9.844 757 HH22 ARG 94 2HH2 ARG 94 8.102 10.679 10.875 758 H TRP 95 HN TRP 95 6.947 2.283 9.871 759 HA TRP 95 HA TRP 95 8.601 0.864 10.439 760 HB2 TRP 95 2HB TRP 95 8.589 0.382 7.493 761 HB3 TRP 95 1HB TRP 95 9.921 -0.246 8.458 762 HD1 TRP 95 1HD TRP 95 8.826 -1.603 10.822 763 HE1 TRP 95 1HE TRP 95 7.087 -3.493 10.740 764 HE3 TRP 95 3HE TRP 95 6.831 -0.658 6.212 765 HZ2 TRP 95 2HZ TRP 95 5.120 -4.458 8.948 766 HZ3 TRP 95 3HZ TRP 95 5.026 -2.114 5.387 767 HH2 TRP 95 2HH TRP 95 4.192 -3.975 6.729 768 H ARG 96 HN ARG 96 10.508 1.273 11.233 769 HA ARG 96 HA ARG 96 12.189 3.305 9.967 770 HB2 ARG 96 2HB ARG 96 12.258 2.036 12.709 771 HB3 ARG 96 1HB ARG 96 13.423 3.214 12.136 772 HG2 ARG 96 2HG ARG 96 11.689 4.891 11.950 773 HG3 ARG 96 1HG ARG 96 10.471 3.707 12.436 774 HD2 ARG 96 2HD ARG 96 11.157 5.163 14.299 775 HD3 ARG 96 1HD ARG 96 11.523 3.466 14.605 776 HE ARG 96 HE ARG 96 13.549 5.438 13.731 777 HH11 ARG 96 1HH1 ARG 96 12.580 2.679 15.675 778 HH12 ARG 96 2HH1 ARG 96 14.134 2.511 16.434 779 HH21 ARG 96 1HH2 ARG 96 15.581 5.212 14.706 780 HH22 ARG 96 2HH2 ARG 96 15.856 3.948 15.876 781 H GLY 97 HN GLY 97 12.039 -0.028 10.914 782 HA2 GLY 97 2HA GLY 97 14.235 -0.713 9.185 783 HA3 GLY 97 1HA GLY 97 14.602 -0.915 10.894 784 H TYR 98 HN TYR 98 12.219 -1.804 8.419 785 HA TYR 98 HA TYR 98 11.194 -4.033 9.871 786 HB2 TYR 98 2HB TYR 98 9.936 -2.914 8.064 787 HB3 TYR 98 1HB TYR 98 11.131 -3.459 6.895 788 HD1 TYR 98 2HD TYR 98 8.887 -4.904 9.519 789 HD2 TYR 98 1HD TYR 98 10.618 -5.329 5.658 790 HE1 TYR 98 2HE TYR 98 7.595 -6.967 9.174 791 HE2 TYR 98 1HE TYR 98 9.331 -7.393 5.302 792 HH TYR 98 HH TYR 98 6.772 -8.346 7.355 793 H LEU 99 HN LEU 99 13.200 -3.943 6.924 794 HA LEU 99 HA LEU 99 14.547 -6.381 7.843 795 HB2 LEU 99 2HB LEU 99 14.529 -5.053 5.128 796 HB3 LEU 99 1HB LEU 99 15.412 -6.510 5.524 797 HG LEU 99 HG LEU 99 12.407 -6.215 5.529 798 HD11 LEU 99 1HD1 LEU 99 13.396 -6.241 3.290 799 HD12 LEU 99 2HD1 LEU 99 12.474 -7.709 3.613 800 HD13 LEU 99 3HD1 LEU 99 14.237 -7.741 3.680 801 HD21 LEU 99 3HD2 LEU 99 14.114 -8.652 6.027 802 HD22 LEU 99 1HD2 LEU 99 12.353 -8.610 5.948 803 HD23 LEU 99 2HD2 LEU 99 13.197 -7.774 7.251 804 H GLU 100 HN GLU 100 14.943 -3.051 6.986 805 HA GLU 100 HA GLU 100 17.184 -2.617 8.593 806 HB2 GLU 100 2HB GLU 100 18.117 -3.939 6.516 807 HB3 GLU 100 1HB GLU 100 17.948 -2.392 5.697 808 HG2 GLU 100 2HG GLU 100 19.454 -1.346 7.241 809 HG3 GLU 100 1HG GLU 100 19.529 -2.810 8.222 810 H HIS 101 HN HIS 101 18.168 -0.319 7.837 811 HA HIS 101 HA HIS 101 15.790 1.327 7.524 812 HB2 HIS 101 2HB HIS 101 17.288 3.230 8.179 813 HB3 HIS 101 1HB HIS 101 17.130 1.968 9.390 814 HD1 HIS 101 1HD HIS 101 19.592 4.002 7.774 815 HD2 HIS 101 2HD HIS 101 19.489 0.138 9.305 816 HE1 HIS 101 1HE HIS 101 21.996 3.345 8.131 817 HE2 HIS 101 2HE HIS 101 21.875 1.117 9.310 818 H HIS 102 HN HIS 102 15.933 0.348 5.240 819 HA HIS 102 HA HIS 102 17.698 1.532 3.355 820 HB2 HIS 102 2HB HIS 102 16.217 -0.598 3.130 821 HB3 HIS 102 1HB HIS 102 14.940 0.523 2.678 822 HD1 HIS 102 1HD HIS 102 17.532 -1.485 1.246 823 HD2 HIS 102 2HD HIS 102 15.817 2.197 0.343 824 HE1 HIS 102 1HE HIS 102 18.110 -1.033 -1.160 825 HE2 HIS 102 2HE HIS 102 17.285 1.308 -1.589 826 H HIS 103 HN HIS 103 17.712 3.584 2.717 827 HA HIS 103 HA HIS 103 15.240 5.146 3.095 828 HB2 HIS 103 2HB HIS 103 16.788 7.090 3.641 829 HB3 HIS 103 1HB HIS 103 16.651 5.823 4.852 830 HD1 HIS 103 1HD HIS 103 18.735 4.176 5.048 831 HD2 HIS 103 2HD HIS 103 19.331 7.582 2.737 832 HE1 HIS 103 1HE HIS 103 21.229 4.413 4.820 833 HE2 HIS 103 2HE HIS 103 21.561 6.612 3.631 834 H HIS 104 HN HIS 104 17.020 7.477 2.119 835 HA HIS 104 HA HIS 104 15.978 7.596 -0.481 836 HB2 HIS 104 2HB HIS 104 16.432 9.578 0.828 837 HB3 HIS 104 1HB HIS 104 18.147 9.206 0.869 838 HD1 HIS 104 1HD HIS 104 18.950 11.309 -0.240 839 HD2 HIS 104 2HD HIS 104 16.100 9.294 -2.505 840 HE1 HIS 104 1HE HIS 104 18.931 12.450 -2.482 841 HE2 HIS 104 2HE HIS 104 17.284 11.152 -3.873 842 H HIS 105 HN HIS 105 16.763 5.493 -1.233 843 HA HIS 105 HA HIS 105 18.528 5.801 -3.342 844 HB2 HIS 105 2HB HIS 105 19.973 5.353 -0.959 845 HB3 HIS 105 1HB HIS 105 19.976 3.817 -1.818 846 HD1 HIS 105 1HD HIS 105 20.788 4.052 -4.452 847 HD2 HIS 105 2HD HIS 105 21.863 7.086 -1.813 848 HE1 HIS 105 1HE HIS 105 22.678 5.284 -5.565 849 HE2 HIS 105 2HE HIS 105 23.163 7.234 -4.042 850 H HIS 106 HN HIS 106 16.836 4.742 -4.366 851 HA HIS 106 HA HIS 106 16.027 2.123 -3.404 852 HB2 HIS 106 2HB HIS 106 15.051 3.831 -5.693 853 HB3 HIS 106 1HB HIS 106 14.453 2.203 -5.392 854 HD1 HIS 106 1HD HIS 106 12.809 1.879 -3.444 855 HD2 HIS 106 2HD HIS 106 14.233 5.775 -3.809 856 HE1 HIS 106 1HE HIS 106 11.376 3.273 -1.921 857 HE2 HIS 106 2HE HIS 106 12.172 5.642 -2.243 Start of MODEL 19 1 H1 MET 1 H1 MET 1 -15.486 5.457 5.901 2 H2 MET 1 H2 MET 1 -14.514 4.381 6.785 3 H3 MET 1 H3 MET 1 -15.773 3.789 5.819 4 HA MET 1 HA MET 1 -14.680 4.453 3.829 5 HB2 MET 1 2HB MET 1 -13.641 6.508 4.636 6 HB3 MET 1 1HB MET 1 -12.574 5.585 5.688 7 HG2 MET 1 2HG MET 1 -11.358 6.302 3.741 8 HG3 MET 1 1HG MET 1 -11.550 4.553 3.702 9 HE1 MET 1 2HE MET 1 -13.988 7.490 1.104 10 HE2 MET 1 3HE MET 1 -12.707 7.983 2.213 11 HE3 MET 1 1HE MET 1 -14.220 7.335 2.846 12 H THR 2 HN THR 2 -13.848 2.676 2.892 13 HA THR 2 HA THR 2 -12.285 0.855 4.595 14 HB THR 2 HB THR 2 -12.741 -0.866 2.851 15 HG1 THR 2 1HG THR 2 -14.610 1.016 1.792 16 HG21 THR 2 3HG2 THR 2 -15.110 -1.193 3.412 17 HG22 THR 2 1HG2 THR 2 -15.193 0.465 4.005 18 HG23 THR 2 2HG2 THR 2 -14.171 -0.714 4.826 19 H PHE 3 HN PHE 3 -10.533 -0.360 3.403 20 HA PHE 3 HA PHE 3 -8.652 1.522 2.447 21 HB2 PHE 3 2HB PHE 3 -8.045 -0.569 3.635 22 HB3 PHE 3 1HB PHE 3 -8.566 -1.495 2.234 23 HD1 PHE 3 2HD PHE 3 -6.157 1.124 3.291 24 HD2 PHE 3 1HD PHE 3 -7.068 -1.968 0.514 25 HE1 PHE 3 2HE PHE 3 -3.905 1.333 2.322 26 HE2 PHE 3 1HE PHE 3 -4.818 -1.762 -0.459 27 HZ PHE 3 HZ PHE 3 -3.231 -0.110 0.445 28 H SER 4 HN SER 4 -10.663 -0.888 0.837 29 HA SER 4 HA SER 4 -9.661 -0.625 -1.758 30 HB2 SER 4 2HB SER 4 -11.214 -2.411 -1.053 31 HB3 SER 4 1HB SER 4 -12.505 -1.220 -0.898 32 HG SER 4 HG SER 4 -12.831 -1.935 -2.892 33 H GLU 5 HN GLU 5 -12.313 1.122 -0.155 34 HA GLU 5 HA GLU 5 -13.045 2.752 -2.315 35 HB2 GLU 5 2HB GLU 5 -13.240 3.162 0.663 36 HB3 GLU 5 1HB GLU 5 -13.939 4.266 -0.502 37 HG2 GLU 5 2HG GLU 5 -15.390 2.524 -1.335 38 HG3 GLU 5 1HG GLU 5 -14.641 1.358 -0.246 39 H CYS 6 HN CYS 6 -10.825 3.330 0.378 40 HA CYS 6 HA CYS 6 -10.203 6.001 -0.262 41 HB2 CYS 6 2HB CYS 6 -9.805 4.845 1.926 42 HB3 CYS 6 1HB CYS 6 -8.451 4.016 1.188 43 HG CYS 6 HG CYS 6 -7.611 6.888 0.449 44 H ALA 7 HN ALA 7 -8.498 2.977 -0.926 45 HA ALA 7 HA ALA 7 -6.304 4.013 -2.298 46 HB1 ALA 7 1HB ALA 7 -7.705 1.388 -2.791 47 HB2 ALA 7 2HB ALA 7 -6.452 1.684 -1.586 48 HB3 ALA 7 3HB ALA 7 -6.069 1.800 -3.304 49 H ALA 8 HN ALA 8 -9.467 2.996 -3.551 50 HA ALA 8 HA ALA 8 -8.950 3.544 -6.262 51 HB1 ALA 8 1HB ALA 8 -10.829 2.169 -5.522 52 HB2 ALA 8 2HB ALA 8 -11.370 3.493 -6.553 53 HB3 ALA 8 3HB ALA 8 -11.592 3.589 -4.805 54 H LEU 9 HN LEU 9 -10.360 5.553 -3.690 55 HA LEU 9 HA LEU 9 -10.941 7.786 -5.306 56 HB2 LEU 9 2HB LEU 9 -10.309 7.624 -2.359 57 HB3 LEU 9 1HB LEU 9 -10.888 9.069 -3.159 58 HG LEU 9 HG LEU 9 -12.401 6.468 -2.911 59 HD11 LEU 9 1HD1 LEU 9 -13.888 7.752 -1.457 60 HD12 LEU 9 2HD1 LEU 9 -12.825 9.150 -1.603 61 HD13 LEU 9 3HD1 LEU 9 -12.250 7.685 -0.808 62 HD21 LEU 9 3HD2 LEU 9 -13.221 9.103 -4.131 63 HD22 LEU 9 1HD2 LEU 9 -14.271 7.706 -3.886 64 HD23 LEU 9 2HD2 LEU 9 -12.914 7.602 -5.006 65 H TYR 10 HN TYR 10 -8.048 6.867 -3.510 66 HA TYR 10 HA TYR 10 -6.527 9.183 -3.846 67 HB2 TYR 10 2HB TYR 10 -5.819 7.384 -2.383 68 HB3 TYR 10 1HB TYR 10 -5.673 6.282 -3.744 69 HD1 TYR 10 2HD TYR 10 -4.212 9.312 -2.192 70 HD2 TYR 10 1HD TYR 10 -3.677 6.164 -5.002 71 HE1 TYR 10 2HE TYR 10 -1.846 9.934 -2.431 72 HE2 TYR 10 1HE TYR 10 -1.311 6.777 -5.248 73 HH TYR 10 HH TYR 10 0.268 8.915 -3.122 74 H ILE 11 HN ILE 11 -6.727 6.308 -5.893 75 HA ILE 11 HA ILE 11 -4.933 7.261 -7.870 76 HB ILE 11 HB ILE 11 -7.056 5.116 -8.074 77 HG12 ILE 11 2HG1 ILE 11 -4.088 4.867 -7.520 78 HG13 ILE 11 1HG1 ILE 11 -5.339 4.789 -6.286 79 HG21 ILE 11 1HG2 ILE 11 -4.665 5.665 -9.827 80 HG22 ILE 11 2HG2 ILE 11 -6.356 5.884 -10.273 81 HG23 ILE 11 3HG2 ILE 11 -5.732 4.266 -9.957 82 HD11 ILE 11 3HD1 ILE 11 -5.045 2.887 -8.595 83 HD12 ILE 11 1HD1 ILE 11 -6.256 2.794 -7.318 84 HD13 ILE 11 2HD1 ILE 11 -4.548 2.576 -6.932 85 H LYS 12 HN LYS 12 -8.483 7.160 -7.692 86 HA LYS 12 HA LYS 12 -8.906 8.232 -10.267 87 HB2 LYS 12 2HB LYS 12 -10.666 8.031 -7.834 88 HB3 LYS 12 1HB LYS 12 -11.229 8.752 -9.336 89 HG2 LYS 12 2HG LYS 12 -10.825 6.675 -10.519 90 HG3 LYS 12 1HG LYS 12 -10.177 5.943 -9.052 91 HD2 LYS 12 2HD LYS 12 -12.494 5.252 -9.470 92 HD3 LYS 12 1HD LYS 12 -12.344 6.160 -7.964 93 HE2 LYS 12 2HE LYS 12 -13.204 8.146 -9.024 94 HE3 LYS 12 1HE LYS 12 -13.221 7.345 -10.595 95 HZ1 LYS 12 3HZ LYS 12 -15.017 6.048 -10.014 96 HZ2 LYS 12 1HZ LYS 12 -15.393 7.515 -9.250 97 HZ3 LYS 12 2HZ LYS 12 -14.764 6.222 -8.345 98 H ALA 13 HN ALA 13 -8.435 9.784 -7.136 99 HA ALA 13 HA ALA 13 -9.267 12.366 -8.040 100 HB1 ALA 13 1HB ALA 13 -7.560 11.651 -5.661 101 HB2 ALA 13 2HB ALA 13 -9.319 11.759 -5.672 102 HB3 ALA 13 3HB ALA 13 -8.346 13.201 -5.950 103 H HIS 14 HN HIS 14 -6.215 10.646 -7.968 104 HA HIS 14 HA HIS 14 -4.791 13.073 -8.773 105 HB2 HIS 14 2HB HIS 14 -4.009 11.315 -6.978 106 HB3 HIS 14 1HB HIS 14 -3.451 10.419 -8.383 107 HD1 HIS 14 1HD HIS 14 -2.089 12.476 -5.941 108 HD2 HIS 14 2HD HIS 14 -1.857 12.522 -10.098 109 HE1 HIS 14 1HE HIS 14 -0.009 13.776 -6.497 110 HE2 HIS 14 2HE HIS 14 0.162 13.713 -9.011 111 H ARG 15 HN ARG 15 -6.529 10.787 -10.319 112 HA ARG 15 HA ARG 15 -4.752 9.838 -12.301 113 HB2 ARG 15 2HB ARG 15 -6.638 8.954 -13.419 114 HB3 ARG 15 1HB ARG 15 -6.994 8.832 -11.705 115 HG2 ARG 15 2HG ARG 15 -8.387 10.841 -11.862 116 HG3 ARG 15 1HG ARG 15 -8.047 10.930 -13.589 117 HD2 ARG 15 2HD ARG 15 -9.487 8.719 -12.131 118 HD3 ARG 15 1HD ARG 15 -10.199 9.889 -13.238 119 HE ARG 15 HE ARG 15 -8.169 8.492 -14.582 120 HH11 ARG 15 1HH1 ARG 15 -11.394 8.006 -13.288 121 HH12 ARG 15 2HH1 ARG 15 -11.767 6.694 -14.370 122 HH21 ARG 15 1HH2 ARG 15 -8.650 6.740 -15.989 123 HH22 ARG 15 2HH2 ARG 15 -10.219 5.984 -15.903 124 H SER 16 HN SER 16 -6.505 12.784 -11.934 125 HA SER 16 HA SER 16 -6.602 13.720 -14.550 126 HB2 SER 16 2HB SER 16 -7.697 14.871 -12.682 127 HB3 SER 16 1HB SER 16 -6.124 15.289 -12.000 128 HG SER 16 HG SER 16 -7.289 16.919 -13.357 129 H SER 17 HN SER 17 -3.979 13.846 -12.185 130 HA SER 17 HA SER 17 -2.223 15.213 -14.026 131 HB2 SER 17 2HB SER 17 -1.644 14.067 -11.288 132 HB3 SER 17 1HB SER 17 -0.678 15.237 -12.174 133 HG SER 17 HG SER 17 -2.973 16.362 -12.113 134 H TRP 18 HN TRP 18 -3.192 12.087 -13.509 135 HA TRP 18 HA TRP 18 -0.614 10.893 -14.212 136 HB2 TRP 18 2HB TRP 18 -3.151 9.766 -13.057 137 HB3 TRP 18 1HB TRP 18 -1.924 8.722 -13.757 138 HD1 TRP 18 1HD TRP 18 0.030 11.318 -12.198 139 HE1 TRP 18 1HE TRP 18 0.800 10.655 -9.827 140 HE3 TRP 18 3HE TRP 18 -3.136 7.383 -11.402 141 HZ2 TRP 18 2HZ TRP 18 0.135 8.713 -7.885 142 HZ3 TRP 18 3HZ TRP 18 -3.004 6.176 -9.267 143 HH2 TRP 18 2HH TRP 18 -1.404 6.827 -7.542 144 H LYS 19 HN LYS 19 -2.465 12.356 -16.092 145 HA LYS 19 HA LYS 19 -2.895 12.236 -18.242 146 HB2 LYS 19 2HB LYS 19 -1.404 9.644 -18.138 147 HB3 LYS 19 1HB LYS 19 -2.002 10.383 -19.622 148 HG2 LYS 19 2HG LYS 19 -0.684 12.456 -18.380 149 HG3 LYS 19 1HG LYS 19 0.322 11.057 -18.008 150 HD2 LYS 19 2HD LYS 19 -0.621 11.684 -20.795 151 HD3 LYS 19 1HD LYS 19 0.872 12.341 -20.130 152 HE2 LYS 19 2HE LYS 19 1.636 10.025 -19.695 153 HE3 LYS 19 1HE LYS 19 0.182 9.434 -20.498 154 HZ1 LYS 19 3HZ LYS 19 0.874 10.445 -22.535 155 HZ2 LYS 19 1HZ LYS 19 2.162 9.507 -21.952 156 HZ3 LYS 19 2HZ LYS 19 2.201 11.194 -21.783 157 H ASN 20 HN ASN 20 -5.248 10.314 -19.507 158 HA ASN 20 HA ASN 20 -4.608 7.886 -18.475 159 HB2 ASN 20 2HB ASN 20 -4.936 8.842 -21.272 160 HB3 ASN 20 1HB ASN 20 -4.541 7.160 -20.927 161 HD21 ASN 20 1HD2 ASN 20 -6.950 8.261 -22.104 162 HD22 ASN 20 2HD2 ASN 20 -8.257 7.776 -21.077 163 H THR 21 HN THR 21 -2.658 7.851 -17.480 164 HA THR 21 HA THR 21 -0.936 6.378 -19.368 165 HB THR 21 HB THR 21 0.571 6.634 -17.013 166 HG1 THR 21 1HG THR 21 -0.948 8.675 -16.988 167 HG21 THR 21 3HG2 THR 21 2.166 7.793 -18.472 168 HG22 THR 21 1HG2 THR 21 0.898 7.995 -19.682 169 HG23 THR 21 2HG2 THR 21 1.462 6.379 -19.261 170 H LYS 22 HN LYS 22 -0.552 4.242 -18.818 171 HA LYS 22 HA LYS 22 -2.747 3.191 -17.329 172 HB2 LYS 22 2HB LYS 22 -2.083 1.048 -18.158 173 HB3 LYS 22 1HB LYS 22 -1.999 2.235 -19.444 174 HG2 LYS 22 2HG LYS 22 0.428 2.358 -19.165 175 HG3 LYS 22 1HG LYS 22 0.330 1.137 -17.894 176 HD2 LYS 22 2HD LYS 22 -0.466 0.789 -20.783 177 HD3 LYS 22 1HD LYS 22 0.953 0.097 -19.995 178 HE2 LYS 22 2HE LYS 22 -0.396 -1.295 -18.610 179 HE3 LYS 22 1HE LYS 22 -1.869 -0.464 -19.106 180 HZ1 LYS 22 3HZ LYS 22 -1.624 -2.602 -20.212 181 HZ2 LYS 22 1HZ LYS 22 -0.141 -2.111 -20.879 182 HZ3 LYS 22 2HZ LYS 22 -1.575 -1.332 -21.337 183 H HIS 23 HN HIS 23 0.310 4.057 -16.284 184 HA HIS 23 HA HIS 23 0.878 2.069 -14.407 185 HB2 HIS 23 2HB HIS 23 2.210 3.650 -13.208 186 HB3 HIS 23 1HB HIS 23 2.388 3.985 -14.922 187 HD1 HIS 23 1HD HIS 23 1.978 5.664 -11.820 188 HD2 HIS 23 2HD HIS 23 0.561 6.272 -15.683 189 HE1 HIS 23 1HE HIS 23 1.307 8.078 -11.926 190 HE2 HIS 23 2HE HIS 23 0.743 8.479 -14.346 191 H ALA 24 HN ALA 24 -1.584 4.545 -14.345 192 HA ALA 24 HA ALA 24 -2.314 4.394 -11.628 193 HB1 ALA 24 1HB ALA 24 -4.489 5.269 -12.363 194 HB2 ALA 24 2HB ALA 24 -4.050 4.940 -14.041 195 HB3 ALA 24 3HB ALA 24 -3.150 6.140 -13.113 196 H ASP 25 HN ASP 25 -3.137 2.413 -14.418 197 HA ASP 25 HA ASP 25 -5.110 0.806 -13.165 198 HB2 ASP 25 2HB ASP 25 -4.846 0.931 -15.617 199 HB3 ASP 25 1HB ASP 25 -3.290 0.128 -15.489 200 H GLN 26 HN GLN 26 -1.636 0.489 -13.620 201 HA GLN 26 HA GLN 26 -1.275 -2.064 -12.579 202 HB2 GLN 26 2HB GLN 26 0.556 0.329 -12.611 203 HB3 GLN 26 1HB GLN 26 1.065 -1.274 -12.116 204 HG2 GLN 26 2HG GLN 26 -0.041 -0.561 -14.819 205 HG3 GLN 26 1HG GLN 26 1.666 -0.774 -14.434 206 HE21 GLN 26 1HE2 GLN 26 1.148 -3.019 -12.625 207 HE22 GLN 26 2HE2 GLN 26 0.777 -4.368 -13.638 208 H TRP 27 HN TRP 27 -1.394 1.062 -10.931 209 HA TRP 27 HA TRP 27 -0.786 0.225 -8.326 210 HB2 TRP 27 2HB TRP 27 -2.476 2.434 -9.463 211 HB3 TRP 27 1HB TRP 27 -2.461 2.148 -7.729 212 HD1 TRP 27 1HD TRP 27 0.215 2.750 -10.515 213 HE1 TRP 27 1HE TRP 27 2.045 4.255 -9.491 214 HE3 TRP 27 3HE TRP 27 -1.624 3.156 -5.759 215 HZ2 TRP 27 2HZ TRP 27 2.625 5.442 -7.001 216 HZ3 TRP 27 3HZ TRP 27 -0.373 4.495 -4.118 217 HH2 TRP 27 2HH TRP 27 1.710 5.613 -4.728 218 H THR 28 HN THR 28 -3.944 0.492 -9.932 219 HA THR 28 HA THR 28 -5.460 -0.521 -7.784 220 HB THR 28 HB THR 28 -6.178 -0.677 -10.718 221 HG1 THR 28 1HG THR 28 -5.626 1.464 -10.256 222 HG21 THR 28 3HG2 THR 28 -7.883 -0.456 -8.235 223 HG22 THR 28 1HG2 THR 28 -7.690 -1.895 -9.236 224 HG23 THR 28 2HG2 THR 28 -8.479 -0.462 -9.893 225 H ASN 29 HN ASN 29 -4.092 -2.007 -10.662 226 HA ASN 29 HA ASN 29 -5.277 -4.522 -10.490 227 HB2 ASN 29 2HB ASN 29 -3.967 -3.440 -12.408 228 HB3 ASN 29 1HB ASN 29 -2.516 -3.993 -11.584 229 HD21 ASN 29 1HD2 ASN 29 -3.713 -4.654 -14.198 230 HD22 ASN 29 2HD2 ASN 29 -3.842 -6.376 -14.213 231 H THR 30 HN THR 30 -2.169 -3.384 -9.182 232 HA THR 30 HA THR 30 -1.420 -5.947 -8.193 233 HB THR 30 HB THR 30 0.299 -4.630 -6.865 234 HG1 THR 30 1HG THR 30 -0.611 -2.447 -8.461 235 HG21 THR 30 3HG2 THR 30 0.794 -5.625 -9.050 236 HG22 THR 30 1HG2 THR 30 1.632 -4.086 -8.844 237 HG23 THR 30 2HG2 THR 30 0.185 -4.176 -9.848 238 H ILE 31 HN ILE 31 -2.752 -3.036 -6.637 239 HA ILE 31 HA ILE 31 -2.756 -4.091 -4.023 240 HB ILE 31 HB ILE 31 -4.471 -1.912 -5.221 241 HG12 ILE 31 2HG1 ILE 31 -1.979 -1.774 -3.505 242 HG13 ILE 31 1HG1 ILE 31 -2.027 -1.506 -5.246 243 HG21 ILE 31 1HG2 ILE 31 -5.556 -2.797 -3.239 244 HG22 ILE 31 2HG2 ILE 31 -4.883 -1.204 -2.894 245 HG23 ILE 31 3HG2 ILE 31 -4.057 -2.653 -2.324 246 HD11 ILE 31 3HD1 ILE 31 -1.944 0.590 -4.031 247 HD12 ILE 31 1HD1 ILE 31 -3.419 0.161 -3.162 248 HD13 ILE 31 2HD1 ILE 31 -3.467 0.431 -4.905 249 H LYS 32 HN LYS 32 -5.212 -4.085 -6.561 250 HA LYS 32 HA LYS 32 -7.346 -5.157 -5.104 251 HB2 LYS 32 2HB LYS 32 -7.420 -4.189 -7.434 252 HB3 LYS 32 1HB LYS 32 -6.717 -5.686 -8.017 253 HG2 LYS 32 2HG LYS 32 -9.247 -5.777 -6.440 254 HG3 LYS 32 1HG LYS 32 -9.290 -5.287 -8.132 255 HD2 LYS 32 2HD LYS 32 -8.129 -7.870 -7.091 256 HD3 LYS 32 1HD LYS 32 -9.721 -7.693 -7.830 257 HE2 LYS 32 2HE LYS 32 -8.611 -6.874 -9.895 258 HE3 LYS 32 1HE LYS 32 -7.049 -7.198 -9.146 259 HZ1 LYS 32 3HZ LYS 32 -7.737 -9.016 -10.587 260 HZ2 LYS 32 1HZ LYS 32 -9.160 -9.221 -9.687 261 HZ3 LYS 32 2HZ LYS 32 -7.653 -9.533 -8.974 262 H THR 33 HN THR 33 -4.596 -6.684 -6.645 263 HA THR 33 HA THR 33 -5.668 -9.344 -6.336 264 HB THR 33 HB THR 33 -2.866 -8.532 -7.125 265 HG1 THR 33 1HG THR 33 -4.097 -7.633 -8.687 266 HG21 THR 33 3HG2 THR 33 -2.824 -10.721 -8.238 267 HG22 THR 33 1HG2 THR 33 -4.442 -11.064 -7.622 268 HG23 THR 33 2HG2 THR 33 -3.090 -10.887 -6.503 269 H TYR 34 HN TYR 34 -2.905 -7.544 -4.939 270 HA TYR 34 HA TYR 34 -2.280 -9.742 -3.192 271 HB2 TYR 34 2HB TYR 34 -1.120 -6.964 -3.377 272 HB3 TYR 34 1HB TYR 34 -0.509 -8.227 -2.313 273 HD1 TYR 34 1HD TYR 34 -0.193 -10.582 -3.720 274 HD2 TYR 34 2HD TYR 34 0.141 -6.635 -5.280 275 HE1 TYR 34 1HE TYR 34 1.250 -11.423 -5.527 276 HE2 TYR 34 2HE TYR 34 1.578 -7.469 -7.094 277 HH TYR 34 HH TYR 34 1.863 -10.704 -7.886 278 H CYS 35 HN CYS 35 -3.577 -6.463 -2.697 279 HA CYS 35 HA CYS 35 -3.687 -6.980 0.172 280 HB2 CYS 35 2HB CYS 35 -4.241 -4.438 -1.362 281 HB3 CYS 35 1HB CYS 35 -4.114 -4.584 0.390 282 HG CYS 35 HG CYS 35 -1.363 -5.559 0.084 283 H GLY 36 HN GLY 36 -5.766 -6.788 -2.558 284 HA2 GLY 36 2HA GLY 36 -8.167 -5.893 -1.557 285 HA3 GLY 36 1HA GLY 36 -8.022 -7.107 -2.814 286 HA PRO 37 HA PRO 37 -9.688 -10.279 -0.319 287 HB2 PRO 37 2HB PRO 37 -7.257 -11.951 -0.329 288 HB3 PRO 37 1HB PRO 37 -8.857 -12.285 -0.999 289 HG2 PRO 37 2HG PRO 37 -6.781 -11.748 -2.593 290 HG3 PRO 37 1HG PRO 37 -8.411 -11.164 -2.975 291 HD2 PRO 37 2HD PRO 37 -6.105 -9.678 -1.772 292 HD3 PRO 37 1HD PRO 37 -7.252 -9.153 -3.023 293 H VAL 38 HN VAL 38 -6.990 -8.680 0.910 294 HA VAL 38 HA VAL 38 -7.154 -10.135 3.465 295 HB VAL 38 HB VAL 38 -4.891 -8.366 2.532 296 HG11 VAL 38 1HG1 VAL 38 -5.130 -10.231 4.890 297 HG12 VAL 38 2HG1 VAL 38 -5.087 -8.469 4.949 298 HG13 VAL 38 3HG1 VAL 38 -3.669 -9.369 4.414 299 HG21 VAL 38 3HG2 VAL 38 -5.073 -11.378 2.582 300 HG22 VAL 38 1HG2 VAL 38 -3.624 -10.443 2.207 301 HG23 VAL 38 2HG2 VAL 38 -5.029 -10.363 1.142 302 H ILE 39 HN ILE 39 -6.358 -6.812 2.369 303 HA ILE 39 HA ILE 39 -7.691 -5.847 4.815 304 HB ILE 39 HB ILE 39 -6.195 -3.877 4.709 305 HG12 ILE 39 2HG1 ILE 39 -4.774 -5.463 2.557 306 HG13 ILE 39 1HG1 ILE 39 -5.665 -3.965 2.311 307 HG21 ILE 39 1HG2 ILE 39 -5.674 -5.727 6.181 308 HG22 ILE 39 2HG2 ILE 39 -4.190 -5.034 5.528 309 HG23 ILE 39 3HG2 ILE 39 -4.815 -6.550 4.880 310 HD11 ILE 39 3HD1 ILE 39 -3.249 -3.614 2.368 311 HD12 ILE 39 1HD1 ILE 39 -3.196 -4.262 4.006 312 HD13 ILE 39 2HD1 ILE 39 -4.067 -2.762 3.680 313 H GLY 40 HN GLY 40 -8.246 -6.086 1.647 314 HA2 GLY 40 2HA GLY 40 -8.800 -3.559 0.646 315 HA3 GLY 40 1HA GLY 40 -9.642 -5.024 0.177 316 HA PRO 41 HA PRO 41 -13.305 -3.618 2.146 317 HB2 PRO 41 2HB PRO 41 -14.307 -5.709 3.514 318 HB3 PRO 41 1HB PRO 41 -14.196 -5.706 1.749 319 HG2 PRO 41 2HG PRO 41 -12.385 -6.984 3.762 320 HG3 PRO 41 1HG PRO 41 -12.998 -7.642 2.234 321 HD2 PRO 41 2HD PRO 41 -10.506 -6.578 2.523 322 HD3 PRO 41 1HD PRO 41 -11.402 -6.567 0.991 323 H LEU 42 HN LEU 42 -10.683 -4.097 4.095 324 HA LEU 42 HA LEU 42 -11.993 -3.644 6.638 325 HB2 LEU 42 2HB LEU 42 -9.069 -3.501 5.880 326 HB3 LEU 42 1HB LEU 42 -9.694 -3.400 7.514 327 HG LEU 42 HG LEU 42 -9.858 -5.808 5.698 328 HD11 LEU 42 1HD1 LEU 42 -8.265 -5.318 8.209 329 HD12 LEU 42 2HD1 LEU 42 -7.617 -5.380 6.569 330 HD13 LEU 42 3HD1 LEU 42 -8.325 -6.823 7.291 331 HD21 LEU 42 3HD2 LEU 42 -10.745 -6.970 7.666 332 HD22 LEU 42 1HD2 LEU 42 -11.817 -5.673 7.132 333 HD23 LEU 42 2HD2 LEU 42 -10.787 -5.440 8.543 334 H SER 43 HN SER 43 -11.408 -1.672 7.946 335 HA SER 43 HA SER 43 -11.895 0.687 6.418 336 HB2 SER 43 2HB SER 43 -12.690 0.494 8.740 337 HB3 SER 43 1HB SER 43 -11.030 0.418 9.310 338 HG SER 43 HG SER 43 -12.475 2.599 8.288 339 H VAL 44 HN VAL 44 -10.526 2.482 6.139 340 HA VAL 44 HA VAL 44 -7.879 1.817 5.406 341 HB VAL 44 HB VAL 44 -9.239 3.588 4.315 342 HG11 VAL 44 1HG1 VAL 44 -9.320 5.827 5.332 343 HG12 VAL 44 2HG1 VAL 44 -8.657 5.149 6.820 344 HG13 VAL 44 3HG1 VAL 44 -10.239 4.627 6.242 345 HG21 VAL 44 3HG2 VAL 44 -6.568 4.487 5.380 346 HG22 VAL 44 1HG2 VAL 44 -7.396 5.176 3.983 347 HG23 VAL 44 2HG2 VAL 44 -6.844 3.501 3.944 348 H GLN 45 HN GLN 45 -9.274 2.861 8.391 349 HA GLN 45 HA GLN 45 -6.613 3.426 9.441 350 HB2 GLN 45 2HB GLN 45 -7.909 4.160 11.471 351 HB3 GLN 45 1HB GLN 45 -8.052 5.159 10.046 352 HG2 GLN 45 2HG GLN 45 -10.227 4.207 9.575 353 HG3 GLN 45 1HG GLN 45 -10.067 3.120 10.954 354 HE21 GLN 45 1HE2 GLN 45 -8.820 5.063 12.661 355 HE22 GLN 45 2HE2 GLN 45 -10.033 6.202 13.128 356 H ASP 46 HN ASP 46 -8.851 0.918 9.234 357 HA ASP 46 HA ASP 46 -7.906 -0.360 11.677 358 HB2 ASP 46 2HB ASP 46 -10.037 -1.027 9.683 359 HB3 ASP 46 1HB ASP 46 -9.398 -2.281 10.737 360 H VAL 47 HN VAL 47 -6.671 0.078 8.717 361 HA VAL 47 HA VAL 47 -5.563 -2.505 8.233 362 HB VAL 47 HB VAL 47 -4.510 0.209 7.386 363 HG11 VAL 47 1HG1 VAL 47 -3.314 -1.057 5.640 364 HG12 VAL 47 2HG1 VAL 47 -3.881 -2.562 6.363 365 HG13 VAL 47 3HG1 VAL 47 -2.787 -1.511 7.263 366 HG21 VAL 47 3HG2 VAL 47 -6.245 -1.759 5.897 367 HG22 VAL 47 1HG2 VAL 47 -5.578 -0.265 5.240 368 HG23 VAL 47 2HG2 VAL 47 -6.766 -0.202 6.544 369 H ASP 48 HN ASP 48 -4.420 -3.429 9.822 370 HA ASP 48 HA ASP 48 -2.873 -1.777 11.633 371 HB2 ASP 48 2HB ASP 48 -3.562 -4.709 11.671 372 HB3 ASP 48 1HB ASP 48 -2.451 -3.976 12.819 373 H THR 49 HN THR 49 -0.772 -2.560 12.337 374 HA THR 49 HA THR 49 1.043 -2.610 10.172 375 HB THR 49 HB THR 49 1.591 -3.224 13.087 376 HG1 THR 49 1HG THR 49 2.166 -0.693 12.417 377 HG21 THR 49 3HG2 THR 49 3.808 -2.306 12.607 378 HG22 THR 49 1HG2 THR 49 3.345 -2.069 10.922 379 HG23 THR 49 2HG2 THR 49 3.456 -3.699 11.584 380 H LYS 50 HN LYS 50 -0.115 -5.029 12.481 381 HA LYS 50 HA LYS 50 1.542 -7.143 11.554 382 HB2 LYS 50 2HB LYS 50 -0.076 -6.772 13.718 383 HB3 LYS 50 1HB LYS 50 -1.053 -7.871 12.754 384 HG2 LYS 50 2HG LYS 50 1.786 -8.367 13.636 385 HG3 LYS 50 1HG LYS 50 0.339 -9.048 14.378 386 HD2 LYS 50 2HD LYS 50 -0.199 -10.202 12.306 387 HD3 LYS 50 1HD LYS 50 1.216 -9.491 11.527 388 HE2 LYS 50 2HE LYS 50 1.242 -11.364 13.891 389 HE3 LYS 50 1HE LYS 50 1.650 -11.788 12.231 390 HZ1 LYS 50 3HZ LYS 50 3.512 -10.263 12.323 391 HZ2 LYS 50 1HZ LYS 50 3.622 -11.397 13.577 392 HZ3 LYS 50 2HZ LYS 50 3.112 -9.819 13.911 393 H LEU 51 HN LEU 51 -1.603 -5.917 10.604 394 HA LEU 51 HA LEU 51 -2.407 -8.146 9.072 395 HB2 LEU 51 2HB LEU 51 -3.194 -5.245 8.997 396 HB3 LEU 51 1HB LEU 51 -3.910 -6.442 7.942 397 HG LEU 51 HG LEU 51 -4.059 -6.378 10.949 398 HD11 LEU 51 1HD1 LEU 51 -6.470 -6.113 10.548 399 HD12 LEU 51 2HD1 LEU 51 -6.153 -6.014 8.816 400 HD13 LEU 51 3HD1 LEU 51 -5.528 -4.775 9.899 401 HD21 LEU 51 3HD2 LEU 51 -3.877 -8.679 10.183 402 HD22 LEU 51 1HD2 LEU 51 -5.174 -8.410 9.020 403 HD23 LEU 51 2HD2 LEU 51 -5.512 -8.341 10.749 404 H ILE 52 HN ILE 52 -0.581 -5.224 8.268 405 HA ILE 52 HA ILE 52 -0.373 -5.787 5.495 406 HB ILE 52 HB ILE 52 1.595 -4.189 7.142 407 HG12 ILE 52 2HG1 ILE 52 -0.904 -3.237 5.721 408 HG13 ILE 52 1HG1 ILE 52 -0.750 -3.428 7.465 409 HG21 ILE 52 1HG2 ILE 52 2.023 -3.030 5.019 410 HG22 ILE 52 2HG2 ILE 52 0.882 -4.102 4.208 411 HG23 ILE 52 3HG2 ILE 52 2.370 -4.755 4.893 412 HD11 ILE 52 3HD1 ILE 52 -0.505 -1.108 6.827 413 HD12 ILE 52 1HD1 ILE 52 0.821 -1.526 5.741 414 HD13 ILE 52 2HD1 ILE 52 1.012 -1.726 7.482 415 H MET 53 HN MET 53 1.536 -6.695 8.309 416 HA MET 53 HA MET 53 3.744 -7.878 7.090 417 HB2 MET 53 2HB MET 53 2.248 -8.761 9.566 418 HB3 MET 53 1HB MET 53 3.807 -9.399 9.078 419 HG2 MET 53 2HG MET 53 4.806 -7.203 9.343 420 HG3 MET 53 1HG MET 53 3.237 -6.532 9.788 421 HE1 MET 53 3HE MET 53 4.363 -5.536 12.034 422 HE2 MET 53 1HE MET 53 5.903 -6.235 11.539 423 HE3 MET 53 2HE MET 53 5.284 -6.526 13.168 424 H LYS 54 HN LYS 54 0.525 -9.181 7.690 425 HA LYS 54 HA LYS 54 0.908 -11.837 6.961 426 HB2 LYS 54 2HB LYS 54 -1.499 -10.048 6.625 427 HB3 LYS 54 1HB LYS 54 -1.533 -11.784 6.356 428 HG2 LYS 54 2HG LYS 54 -1.138 -12.245 8.633 429 HG3 LYS 54 1HG LYS 54 -0.690 -10.571 8.970 430 HD2 LYS 54 2HD LYS 54 -2.959 -11.126 9.771 431 HD3 LYS 54 1HD LYS 54 -2.960 -9.841 8.565 432 HE2 LYS 54 2HE LYS 54 -4.760 -11.308 8.044 433 HE3 LYS 54 1HE LYS 54 -3.499 -11.578 6.843 434 HZ1 LYS 54 3HZ LYS 54 -2.828 -13.564 8.007 435 HZ2 LYS 54 1HZ LYS 54 -4.488 -13.643 7.676 436 HZ3 LYS 54 2HZ LYS 54 -3.952 -13.272 9.237 437 H VAL 55 HN VAL 55 0.322 -8.998 4.974 438 HA VAL 55 HA VAL 55 -0.028 -10.497 2.550 439 HB VAL 55 HB VAL 55 0.512 -7.538 2.857 440 HG11 VAL 55 1HG1 VAL 55 -0.577 -7.344 0.671 441 HG12 VAL 55 2HG1 VAL 55 -0.720 -9.100 0.593 442 HG13 VAL 55 3HG1 VAL 55 0.874 -8.344 0.597 443 HG21 VAL 55 3HG2 VAL 55 -1.920 -7.241 2.720 444 HG22 VAL 55 1HG2 VAL 55 -1.443 -8.151 4.154 445 HG23 VAL 55 2HG2 VAL 55 -2.126 -8.992 2.763 446 H LEU 56 HN LEU 56 2.553 -8.518 3.971 447 HA LEU 56 HA LEU 56 4.156 -8.606 1.619 448 HB2 LEU 56 2HB LEU 56 4.779 -7.739 4.431 449 HB3 LEU 56 1HB LEU 56 5.899 -7.580 3.094 450 HG LEU 56 HG LEU 56 3.234 -6.197 3.398 451 HD11 LEU 56 1HD1 LEU 56 4.597 -4.167 3.380 452 HD12 LEU 56 2HD1 LEU 56 6.059 -5.147 3.280 453 HD13 LEU 56 3HD1 LEU 56 5.040 -5.229 4.715 454 HD21 LEU 56 3HD2 LEU 56 3.731 -5.105 1.270 455 HD22 LEU 56 1HD2 LEU 56 3.575 -6.852 1.070 456 HD23 LEU 56 2HD2 LEU 56 5.173 -6.105 1.090 457 H ASP 57 HN ASP 57 4.123 -10.505 4.589 458 HA ASP 57 HA ASP 57 6.716 -11.464 4.607 459 HB2 ASP 57 2HB ASP 57 4.951 -11.866 6.365 460 HB3 ASP 57 1HB ASP 57 4.342 -13.156 5.353 461 HA PRO 58 HA PRO 58 5.497 -15.254 1.889 462 HB2 PRO 58 2HB PRO 58 3.198 -15.066 0.424 463 HB3 PRO 58 1HB PRO 58 3.283 -15.817 2.020 464 HG2 PRO 58 2HG PRO 58 2.337 -13.091 1.251 465 HG3 PRO 58 1HG PRO 58 1.678 -14.212 2.457 466 HD2 PRO 58 2HD PRO 58 3.232 -12.078 3.110 467 HD3 PRO 58 1HD PRO 58 3.194 -13.566 4.068 468 H ILE 59 HN ILE 59 4.826 -11.979 0.886 469 HA ILE 59 HA ILE 59 5.335 -12.426 -1.896 470 HB ILE 59 HB ILE 59 5.355 -9.814 -0.368 471 HG12 ILE 59 2HG1 ILE 59 3.181 -11.151 -1.996 472 HG13 ILE 59 1HG1 ILE 59 3.187 -10.949 -0.248 473 HG21 ILE 59 1HG2 ILE 59 6.570 -9.631 -2.466 474 HG22 ILE 59 2HG2 ILE 59 5.031 -8.777 -2.578 475 HG23 ILE 59 3HG2 ILE 59 5.217 -10.359 -3.335 476 HD11 ILE 59 3HD1 ILE 59 1.734 -9.327 -1.323 477 HD12 ILE 59 1HD1 ILE 59 3.092 -8.726 -2.276 478 HD13 ILE 59 2HD1 ILE 59 3.089 -8.529 -0.524 479 H TRP 60 HN TRP 60 7.305 -11.758 0.900 480 HA TRP 60 HA TRP 60 9.609 -10.772 -0.362 481 HB2 TRP 60 2HB TRP 60 9.307 -12.436 2.139 482 HB3 TRP 60 1HB TRP 60 10.847 -11.780 1.603 483 HD1 TRP 60 1HD TRP 60 8.064 -10.985 3.810 484 HE1 TRP 60 1HE TRP 60 8.077 -8.505 4.484 485 HE3 TRP 60 3HE TRP 60 11.383 -9.232 0.338 486 HZ2 TRP 60 2HZ TRP 60 9.333 -6.113 3.641 487 HZ3 TRP 60 3HZ TRP 60 11.937 -6.836 0.341 488 HH2 TRP 60 2HH TRP 60 10.932 -5.311 1.959 489 H GLU 61 HN GLU 61 8.307 -13.987 -0.226 490 HA GLU 61 HA GLU 61 10.713 -15.275 -1.084 491 HB2 GLU 61 2HB GLU 61 7.847 -16.190 -0.858 492 HB3 GLU 61 1HB GLU 61 9.181 -17.227 -1.301 493 HG2 GLU 61 2HG GLU 61 8.840 -15.792 1.313 494 HG3 GLU 61 1HG GLU 61 8.636 -17.520 1.028 495 H GLN 62 HN GLN 62 7.856 -13.908 -2.533 496 HA GLN 62 HA GLN 62 8.387 -15.142 -5.109 497 HB2 GLN 62 2HB GLN 62 6.184 -13.321 -4.143 498 HB3 GLN 62 1HB GLN 62 6.300 -13.935 -5.784 499 HG2 GLN 62 2HG GLN 62 6.085 -15.664 -3.335 500 HG3 GLN 62 1HG GLN 62 4.723 -15.182 -4.344 501 HE21 GLN 62 1HE2 GLN 62 4.219 -17.277 -4.901 502 HE22 GLN 62 2HE2 GLN 62 5.197 -18.215 -5.988 503 H LYS 63 HN LYS 63 7.909 -11.842 -3.870 504 HA LYS 63 HA LYS 63 9.765 -10.825 -5.890 505 HB2 LYS 63 2HB LYS 63 6.953 -9.800 -5.473 506 HB3 LYS 63 1HB LYS 63 8.179 -8.981 -6.427 507 HG2 LYS 63 2HG LYS 63 8.230 -10.804 -8.004 508 HG3 LYS 63 1HG LYS 63 7.096 -11.726 -7.013 509 HD2 LYS 63 2HD LYS 63 5.370 -10.084 -7.382 510 HD3 LYS 63 1HD LYS 63 6.497 -9.037 -8.243 511 HE2 LYS 63 2HE LYS 63 5.626 -11.787 -9.121 512 HE3 LYS 63 1HE LYS 63 5.025 -10.263 -9.773 513 HZ1 LYS 63 3HZ LYS 63 7.415 -9.770 -10.345 514 HZ2 LYS 63 1HZ LYS 63 6.673 -10.997 -11.251 515 HZ3 LYS 63 2HZ LYS 63 7.755 -11.394 -10.004 516 HA PRO 64 HA PRO 64 10.572 -9.011 -1.704 517 HB2 PRO 64 2HB PRO 64 13.221 -8.677 -2.981 518 HB3 PRO 64 1HB PRO 64 12.817 -9.337 -1.394 519 HG2 PRO 64 2HG PRO 64 13.593 -10.921 -3.408 520 HG3 PRO 64 1HG PRO 64 12.367 -11.443 -2.237 521 HD2 PRO 64 2HD PRO 64 12.029 -10.495 -5.048 522 HD3 PRO 64 1HD PRO 64 11.138 -11.748 -4.162 523 H GLU 65 HN GLU 65 11.584 -7.894 -4.892 524 HA GLU 65 HA GLU 65 11.967 -5.187 -4.247 525 HB2 GLU 65 2HB GLU 65 10.930 -5.417 -6.906 526 HB3 GLU 65 1HB GLU 65 12.564 -5.077 -6.387 527 HG2 GLU 65 2HG GLU 65 12.643 -6.925 -7.854 528 HG3 GLU 65 1HG GLU 65 12.970 -7.516 -6.229 529 H THR 66 HN THR 66 9.183 -6.961 -5.437 530 HA THR 66 HA THR 66 7.507 -4.669 -5.653 531 HB THR 66 HB THR 66 6.721 -7.587 -5.534 532 HG1 THR 66 1HG THR 66 8.196 -7.110 -7.253 533 HG21 THR 66 3HG2 THR 66 4.832 -6.060 -5.170 534 HG22 THR 66 1HG2 THR 66 4.712 -6.867 -6.733 535 HG23 THR 66 2HG2 THR 66 5.253 -5.192 -6.647 536 H ALA 67 HN ALA 67 8.069 -7.076 -3.155 537 HA ALA 67 HA ALA 67 5.933 -6.454 -1.450 538 HB1 ALA 67 1HB ALA 67 7.245 -7.481 0.317 539 HB2 ALA 67 2HB ALA 67 8.699 -7.374 -0.675 540 HB3 ALA 67 3HB ALA 67 7.372 -8.428 -1.166 541 H SER 68 HN SER 68 9.196 -5.081 -1.650 542 HA SER 68 HA SER 68 8.812 -3.298 0.533 543 HB2 SER 68 2HB SER 68 10.901 -2.183 -0.602 544 HB3 SER 68 1HB SER 68 11.053 -3.754 0.183 545 HG SER 68 HG SER 68 11.112 -4.743 -1.767 546 H ARG 69 HN ARG 69 8.375 -3.054 -2.951 547 HA ARG 69 HA ARG 69 7.948 -0.248 -2.984 548 HB2 ARG 69 2HB ARG 69 7.199 -2.414 -4.947 549 HB3 ARG 69 1HB ARG 69 7.001 -0.702 -5.250 550 HG2 ARG 69 2HG ARG 69 9.481 -0.470 -4.831 551 HG3 ARG 69 1HG ARG 69 9.543 -2.231 -4.898 552 HD2 ARG 69 2HD ARG 69 10.070 -1.494 -7.072 553 HD3 ARG 69 1HD ARG 69 8.399 -2.051 -7.150 554 HE ARG 69 HE ARG 69 9.029 0.811 -6.805 555 HH11 ARG 69 1HH1 ARG 69 7.468 -1.777 -8.575 556 HH12 ARG 69 2HH1 ARG 69 6.664 -0.711 -9.683 557 HH21 ARG 69 1HH2 ARG 69 7.962 2.221 -8.259 558 HH22 ARG 69 2HH2 ARG 69 6.943 1.563 -9.506 559 H LEU 70 HN LEU 70 5.858 -3.052 -2.619 560 HA LEU 70 HA LEU 70 3.374 -1.764 -2.887 561 HB2 LEU 70 2HB LEU 70 3.699 -4.220 -2.842 562 HB3 LEU 70 1HB LEU 70 4.078 -4.121 -1.134 563 HG LEU 70 HG LEU 70 1.787 -3.267 -0.703 564 HD11 LEU 70 1HD1 LEU 70 1.372 -3.873 -3.629 565 HD12 LEU 70 2HD1 LEU 70 1.335 -2.279 -2.874 566 HD13 LEU 70 3HD1 LEU 70 0.100 -3.474 -2.472 567 HD21 LEU 70 3HD2 LEU 70 2.292 -5.636 -0.453 568 HD22 LEU 70 1HD2 LEU 70 1.922 -5.904 -2.157 569 HD23 LEU 70 2HD2 LEU 70 0.647 -5.400 -1.047 570 H ARG 71 HN ARG 71 5.507 -2.221 -0.124 571 HA ARG 71 HA ARG 71 3.910 -1.227 1.926 572 HB2 ARG 71 2HB ARG 71 6.124 -2.322 2.230 573 HB3 ARG 71 1HB ARG 71 6.898 -0.876 1.599 574 HG2 ARG 71 2HG ARG 71 5.753 0.372 3.491 575 HG3 ARG 71 1HG ARG 71 5.407 -1.218 4.172 576 HD2 ARG 71 2HD ARG 71 8.131 -0.098 3.527 577 HD3 ARG 71 1HD ARG 71 7.436 -0.282 5.135 578 HE ARG 71 HE ARG 71 7.478 -2.777 3.819 579 HH11 ARG 71 1HH1 ARG 71 9.635 -0.452 5.306 580 HH12 ARG 71 2HH1 ARG 71 10.823 -1.640 5.737 581 HH21 ARG 71 1HH2 ARG 71 9.061 -4.342 4.390 582 HH22 ARG 71 2HH2 ARG 71 10.495 -3.842 5.241 583 H GLY 72 HN GLY 72 6.071 0.490 -0.297 584 HA2 GLY 72 2HA GLY 72 5.796 3.039 0.887 585 HA3 GLY 72 1HA GLY 72 6.387 2.713 -0.732 586 H ARG 73 HN ARG 73 4.030 1.480 -1.781 587 HA ARG 73 HA ARG 73 2.637 3.882 -2.429 588 HB2 ARG 73 2HB ARG 73 1.305 2.572 -3.955 589 HB3 ARG 73 1HB ARG 73 2.995 2.131 -4.112 590 HG2 ARG 73 2HG ARG 73 2.534 0.128 -2.706 591 HG3 ARG 73 1HG ARG 73 0.820 0.552 -2.761 592 HD2 ARG 73 2HD ARG 73 1.305 -1.087 -4.480 593 HD3 ARG 73 1HD ARG 73 0.899 0.459 -5.221 594 HE ARG 73 HE ARG 73 3.606 0.541 -5.039 595 HH11 ARG 73 1HH1 ARG 73 1.360 -1.764 -6.436 596 HH12 ARG 73 2HH1 ARG 73 2.474 -2.284 -7.657 597 HH21 ARG 73 1HH2 ARG 73 5.051 -0.124 -6.641 598 HH22 ARG 73 2HH2 ARG 73 4.571 -1.349 -7.790 599 H ILE 74 HN ILE 74 1.951 1.140 -0.329 600 HA ILE 74 HA ILE 74 -0.713 1.851 0.302 601 HB ILE 74 HB ILE 74 1.340 0.394 1.981 602 HG12 ILE 74 2HG1 ILE 74 -0.976 -0.634 0.322 603 HG13 ILE 74 1HG1 ILE 74 0.720 -0.713 -0.143 604 HG21 ILE 74 1HG2 ILE 74 -1.639 0.652 2.399 605 HG22 ILE 74 2HG2 ILE 74 -0.379 1.365 3.407 606 HG23 ILE 74 3HG2 ILE 74 -0.557 -0.389 3.325 607 HD11 ILE 74 3HD1 ILE 74 1.171 -2.160 1.779 608 HD12 ILE 74 1HD1 ILE 74 -0.047 -2.845 0.702 609 HD13 ILE 74 2HD1 ILE 74 -0.537 -2.091 2.217 610 H GLU 75 HN GLU 75 2.395 2.699 1.790 611 HA GLU 75 HA GLU 75 1.552 4.363 3.852 612 HB2 GLU 75 2HB GLU 75 3.910 3.694 3.384 613 HB3 GLU 75 1HB GLU 75 3.926 4.812 2.028 614 HG2 GLU 75 2HG GLU 75 3.335 6.619 3.696 615 HG3 GLU 75 1HG GLU 75 3.717 5.443 4.951 616 H SER 76 HN SER 76 2.061 5.093 0.438 617 HA SER 76 HA SER 76 1.628 7.849 0.559 618 HB2 SER 76 2HB SER 76 1.076 5.962 -1.723 619 HB3 SER 76 1HB SER 76 1.222 7.712 -1.859 620 HG SER 76 HG SER 76 3.244 5.878 -1.044 621 H VAL 77 HN VAL 77 -0.656 5.185 0.113 622 HA VAL 77 HA VAL 77 -2.923 6.856 -0.329 623 HB VAL 77 HB VAL 77 -2.835 3.977 0.594 624 HG11 VAL 77 1HG1 VAL 77 -4.988 5.040 1.060 625 HG12 VAL 77 2HG1 VAL 77 -5.138 3.854 -0.235 626 HG13 VAL 77 3HG1 VAL 77 -5.094 5.575 -0.618 627 HG21 VAL 77 3HG2 VAL 77 -1.712 4.297 -1.546 628 HG22 VAL 77 1HG2 VAL 77 -3.128 5.138 -2.174 629 HG23 VAL 77 2HG2 VAL 77 -3.233 3.428 -1.758 630 H LEU 78 HN LEU 78 -1.745 5.057 2.511 631 HA LEU 78 HA LEU 78 -3.807 5.796 4.263 632 HB2 LEU 78 2HB LEU 78 -0.923 5.171 4.899 633 HB3 LEU 78 1HB LEU 78 -2.222 5.240 6.074 634 HG LEU 78 HG LEU 78 -1.983 3.258 3.812 635 HD11 LEU 78 1HD1 LEU 78 -1.702 2.933 6.794 636 HD12 LEU 78 2HD1 LEU 78 -0.413 2.809 5.599 637 HD13 LEU 78 3HD1 LEU 78 -1.713 1.618 5.619 638 HD21 LEU 78 3HD2 LEU 78 -3.935 2.178 4.810 639 HD22 LEU 78 1HD2 LEU 78 -4.312 3.808 4.249 640 HD23 LEU 78 2HD2 LEU 78 -4.073 3.499 5.970 641 H ASP 79 HN ASP 79 -0.714 7.342 3.548 642 HA ASP 79 HA ASP 79 -0.886 9.419 5.447 643 HB2 ASP 79 2HB ASP 79 1.224 8.932 4.422 644 HB3 ASP 79 1HB ASP 79 0.570 9.198 2.811 645 H TRP 80 HN TRP 80 -1.891 9.220 2.066 646 HA TRP 80 HA TRP 80 -2.792 11.845 1.730 647 HB2 TRP 80 2HB TRP 80 -2.503 10.393 -0.165 648 HB3 TRP 80 1HB TRP 80 -3.678 9.249 0.466 649 HD1 TRP 80 1HD TRP 80 -3.520 12.776 -1.099 650 HE1 TRP 80 1HE TRP 80 -5.788 13.254 -2.220 651 HE3 TRP 80 3HE TRP 80 -6.071 8.615 0.423 652 HZ2 TRP 80 2HZ TRP 80 -8.325 12.023 -2.428 653 HZ3 TRP 80 3HZ TRP 80 -8.410 8.342 -0.281 654 HH2 TRP 80 2HH TRP 80 -9.514 10.013 -1.677 655 H ALA 81 HN ALA 81 -4.522 8.936 2.793 656 HA ALA 81 HA ALA 81 -7.047 10.136 3.090 657 HB1 ALA 81 1HB ALA 81 -6.723 7.716 2.990 658 HB2 ALA 81 2HB ALA 81 -7.619 8.185 4.434 659 HB3 ALA 81 3HB ALA 81 -5.913 7.758 4.556 660 H THR 82 HN THR 82 -4.314 9.849 5.314 661 HA THR 82 HA THR 82 -5.611 10.826 7.609 662 HB THR 82 HB THR 82 -2.711 10.977 6.782 663 HG1 THR 82 1HG THR 82 -3.808 9.354 8.830 664 HG21 THR 82 3HG2 THR 82 -3.942 11.569 9.481 665 HG22 THR 82 1HG2 THR 82 -3.173 12.740 8.412 666 HG23 THR 82 2HG2 THR 82 -2.216 11.454 9.141 667 H VAL 83 HN VAL 83 -3.753 12.519 5.085 668 HA VAL 83 HA VAL 83 -4.053 15.116 6.114 669 HB VAL 83 HB VAL 83 -3.759 14.263 3.226 670 HG11 VAL 83 1HG1 VAL 83 -2.885 16.525 2.853 671 HG12 VAL 83 2HG1 VAL 83 -3.260 16.940 4.525 672 HG13 VAL 83 3HG1 VAL 83 -4.562 16.558 3.400 673 HG21 VAL 83 3HG2 VAL 83 -1.940 13.439 4.615 674 HG22 VAL 83 1HG2 VAL 83 -1.690 15.055 5.274 675 HG23 VAL 83 2HG2 VAL 83 -1.373 14.740 3.568 676 H ARG 84 HN ARG 84 -6.024 13.277 3.816 677 HA ARG 84 HA ARG 84 -7.907 15.343 3.339 678 HB2 ARG 84 2HB ARG 84 -8.124 12.351 2.993 679 HB3 ARG 84 1HB ARG 84 -9.329 13.499 2.432 680 HG2 ARG 84 2HG ARG 84 -6.458 13.429 1.541 681 HG3 ARG 84 1HG ARG 84 -7.822 12.762 0.646 682 HD2 ARG 84 2HD ARG 84 -7.560 15.657 1.444 683 HD3 ARG 84 1HD ARG 84 -7.092 15.015 -0.128 684 HE ARG 84 HE ARG 84 -9.688 14.235 0.158 685 HH11 ARG 84 1HH1 ARG 84 -8.046 17.324 0.372 686 HH12 ARG 84 2HH1 ARG 84 -9.391 18.220 -0.285 687 HH21 ARG 84 1HH2 ARG 84 -11.450 15.401 -0.686 688 HH22 ARG 84 2HH2 ARG 84 -11.334 17.130 -0.856 689 H GLY 85 HN GLY 85 -7.576 12.974 5.861 690 HA2 GLY 85 2HA GLY 85 -8.567 13.283 7.986 691 HA3 GLY 85 1HA GLY 85 -9.823 14.255 7.235 692 H TYR 86 HN TYR 86 -8.862 11.121 5.988 693 HA TYR 86 HA TYR 86 -11.538 10.107 6.654 694 HB2 TYR 86 2HB TYR 86 -9.490 9.180 4.631 695 HB3 TYR 86 1HB TYR 86 -10.981 8.311 4.972 696 HD1 TYR 86 2HD TYR 86 -13.175 9.767 4.775 697 HD2 TYR 86 1HD TYR 86 -9.478 10.711 2.891 698 HE1 TYR 86 2HE TYR 86 -14.370 11.153 3.135 699 HE2 TYR 86 1HE TYR 86 -10.664 12.106 1.246 700 HH TYR 86 HH TYR 86 -13.887 13.066 1.641 701 H ARG 87 HN ARG 87 -8.608 10.088 8.025 702 HA ARG 87 HA ARG 87 -9.173 7.814 9.645 703 HB2 ARG 87 2HB ARG 87 -7.140 6.535 9.154 704 HB3 ARG 87 1HB ARG 87 -8.174 6.640 7.736 705 HG2 ARG 87 2HG ARG 87 -6.739 8.485 6.901 706 HG3 ARG 87 1HG ARG 87 -5.660 8.205 8.269 707 HD2 ARG 87 2HD ARG 87 -6.351 6.241 6.086 708 HD3 ARG 87 1HD ARG 87 -4.818 7.088 6.289 709 HE ARG 87 HE ARG 87 -5.725 4.749 7.711 710 HH11 ARG 87 1HH1 ARG 87 -3.524 7.479 7.719 711 HH12 ARG 87 2HH1 ARG 87 -2.437 6.744 8.861 712 HH21 ARG 87 1HH2 ARG 87 -4.254 3.779 9.183 713 HH22 ARG 87 2HH2 ARG 87 -2.840 4.661 9.670 714 H GLU 88 HN GLU 88 -7.168 7.450 11.161 715 HA GLU 88 HA GLU 88 -6.618 10.017 12.302 716 HB2 GLU 88 2HB GLU 88 -6.267 7.194 13.129 717 HB3 GLU 88 1HB GLU 88 -5.192 8.375 13.865 718 HG2 GLU 88 2HG GLU 88 -7.148 8.004 15.249 719 HG3 GLU 88 1HG GLU 88 -7.106 9.658 14.652 720 H GLY 89 HN GLY 89 -4.156 9.964 13.367 721 HA2 GLY 89 2HA GLY 89 -2.706 10.688 10.937 722 HA3 GLY 89 1HA GLY 89 -2.407 11.292 12.548 723 H ASP 90 HN ASP 90 -2.657 7.881 12.069 724 HA ASP 90 HA ASP 90 0.283 7.701 12.277 725 HB2 ASP 90 2HB ASP 90 -0.792 6.871 14.307 726 HB3 ASP 90 1HB ASP 90 -1.786 5.773 13.355 727 H ASN 91 HN ASN 91 1.377 6.303 10.930 728 HA ASN 91 HA ASN 91 -0.270 5.044 8.833 729 HB2 ASN 91 2HB ASN 91 1.003 7.090 8.076 730 HB3 ASN 91 1HB ASN 91 2.487 6.191 8.378 731 HD21 ASN 91 1HD2 ASN 91 1.370 7.253 5.872 732 HD22 ASN 91 2HD2 ASN 91 1.255 5.909 4.805 733 HA PRO 92 HA PRO 92 1.868 1.586 10.940 734 HB2 PRO 92 2HB PRO 92 -0.167 0.118 9.359 735 HB3 PRO 92 1HB PRO 92 0.228 0.003 11.077 736 HG2 PRO 92 2HG PRO 92 -1.999 1.216 10.281 737 HG3 PRO 92 1HG PRO 92 -1.046 1.859 11.632 738 HD2 PRO 92 2HD PRO 92 -1.178 2.797 8.791 739 HD3 PRO 92 1HD PRO 92 -1.126 3.747 10.291 740 H ALA 93 HN ALA 93 1.513 2.377 7.625 741 HA ALA 93 HA ALA 93 2.864 0.058 6.585 742 HB1 ALA 93 1HB ALA 93 1.312 1.335 5.185 743 HB2 ALA 93 2HB ALA 93 2.922 1.268 4.469 744 HB3 ALA 93 3HB ALA 93 2.378 2.735 5.280 745 H ARG 94 HN ARG 94 3.844 2.797 8.268 746 HA ARG 94 HA ARG 94 6.584 2.619 7.282 747 HB2 ARG 94 2HB ARG 94 5.276 4.462 9.287 748 HB3 ARG 94 1HB ARG 94 6.992 4.476 8.918 749 HG2 ARG 94 2HG ARG 94 6.489 4.991 6.585 750 HG3 ARG 94 1HG ARG 94 4.767 4.993 6.963 751 HD2 ARG 94 2HD ARG 94 5.038 6.886 8.417 752 HD3 ARG 94 1HD ARG 94 6.792 6.823 8.238 753 HE ARG 94 HE ARG 94 6.142 7.181 5.729 754 HH11 ARG 94 1HH1 ARG 94 4.628 8.682 8.515 755 HH12 ARG 94 2HH1 ARG 94 4.238 10.146 7.655 756 HH21 ARG 94 1HH2 ARG 94 5.614 9.080 4.609 757 HH22 ARG 94 2HH2 ARG 94 4.797 10.373 5.443 758 H TRP 95 HN TRP 95 8.186 1.671 8.427 759 HA TRP 95 HA TRP 95 7.271 0.121 10.754 760 HB2 TRP 95 2HB TRP 95 8.239 -0.762 8.161 761 HB3 TRP 95 1HB TRP 95 9.145 -1.468 9.496 762 HD1 TRP 95 1HD TRP 95 7.263 -2.387 11.556 763 HE1 TRP 95 1HE TRP 95 5.322 -4.010 11.108 764 HE3 TRP 95 3HE TRP 95 6.706 -1.626 6.534 765 HZ2 TRP 95 2HZ TRP 95 3.750 -4.846 8.926 766 HZ3 TRP 95 3HZ TRP 95 4.955 -2.875 5.343 767 HH2 TRP 95 2HH TRP 95 3.510 -4.450 6.517 768 H ARG 96 HN ARG 96 8.458 0.308 12.489 769 HA ARG 96 HA ARG 96 11.360 0.664 12.202 770 HB2 ARG 96 2HB ARG 96 9.534 1.310 14.521 771 HB3 ARG 96 1HB ARG 96 11.282 1.410 14.577 772 HG2 ARG 96 2HG ARG 96 11.170 3.074 12.717 773 HG3 ARG 96 1HG ARG 96 9.415 3.061 12.907 774 HD2 ARG 96 2HD ARG 96 9.719 3.703 15.280 775 HD3 ARG 96 1HD ARG 96 11.454 3.831 14.986 776 HE ARG 96 HE ARG 96 9.363 5.626 13.993 777 HH11 ARG 96 1HH1 ARG 96 12.759 4.745 14.131 778 HH12 ARG 96 2HH1 ARG 96 13.319 6.316 13.630 779 HH21 ARG 96 1HH2 ARG 96 10.092 7.685 13.295 780 HH22 ARG 96 2HH2 ARG 96 11.802 7.992 13.159 781 H GLY 97 HN GLY 97 8.852 -1.457 13.035 782 HA2 GLY 97 2HA GLY 97 10.757 -3.216 14.443 783 HA3 GLY 97 1HA GLY 97 9.082 -3.060 14.949 784 H TYR 98 HN TYR 98 10.434 -3.364 11.675 785 HA TYR 98 HA TYR 98 8.847 -5.836 11.374 786 HB2 TYR 98 2HB TYR 98 8.308 -3.890 9.865 787 HB3 TYR 98 1HB TYR 98 9.916 -4.059 9.175 788 HD1 TYR 98 1HD TYR 98 7.253 -6.534 10.072 789 HD2 TYR 98 2HD TYR 98 9.759 -4.905 7.045 790 HE1 TYR 98 1HE TYR 98 6.360 -8.163 8.462 791 HE2 TYR 98 2HE TYR 98 8.874 -6.534 5.428 792 HH TYR 98 HH TYR 98 6.123 -8.492 6.122 793 H LEU 99 HN LEU 99 9.869 -7.692 10.873 794 HA LEU 99 HA LEU 99 11.559 -9.179 10.817 795 HB2 LEU 99 2HB LEU 99 12.681 -7.201 8.852 796 HB3 LEU 99 1HB LEU 99 13.088 -8.887 9.001 797 HG LEU 99 HG LEU 99 10.388 -7.847 8.175 798 HD11 LEU 99 1HD1 LEU 99 12.067 -7.420 6.475 799 HD12 LEU 99 2HD1 LEU 99 10.979 -8.707 5.960 800 HD13 LEU 99 3HD1 LEU 99 12.594 -9.101 6.547 801 HD21 LEU 99 3HD2 LEU 99 10.242 -9.984 9.327 802 HD22 LEU 99 1HD2 LEU 99 11.494 -10.653 8.279 803 HD23 LEU 99 2HD2 LEU 99 9.932 -10.191 7.602 804 H GLU 100 HN GLU 100 11.828 -7.764 12.999 805 HA GLU 100 HA GLU 100 14.262 -6.373 13.320 806 HB2 GLU 100 2HB GLU 100 12.594 -7.813 15.397 807 HB3 GLU 100 1HB GLU 100 13.889 -6.676 15.743 808 HG2 GLU 100 2HG GLU 100 12.638 -4.913 14.582 809 HG3 GLU 100 1HG GLU 100 11.329 -6.053 14.289 810 H HIS 101 HN HIS 101 15.965 -7.424 12.527 811 HA HIS 101 HA HIS 101 16.883 -9.853 13.848 812 HB2 HIS 101 2HB HIS 101 15.449 -10.491 11.843 813 HB3 HIS 101 1HB HIS 101 16.646 -9.697 10.829 814 HD1 HIS 101 1HD HIS 101 16.103 -12.724 12.956 815 HD2 HIS 101 2HD HIS 101 18.999 -11.158 10.411 816 HE1 HIS 101 1HE HIS 101 17.704 -14.613 12.503 817 HE2 HIS 101 2HE HIS 101 19.336 -13.698 10.812 818 H HIS 102 HN HIS 102 18.546 -8.590 14.659 819 HA HIS 102 HA HIS 102 20.012 -6.775 13.009 820 HB2 HIS 102 2HB HIS 102 20.429 -7.802 15.813 821 HB3 HIS 102 1HB HIS 102 21.579 -6.717 15.037 822 HD1 HIS 102 1HD HIS 102 21.181 -4.330 15.523 823 HD2 HIS 102 2HD HIS 102 17.672 -6.557 15.748 824 HE1 HIS 102 1HE HIS 102 19.386 -2.707 16.205 825 HE2 HIS 102 2HE HIS 102 17.248 -4.033 16.158 826 H HIS 103 HN HIS 103 20.963 -7.721 11.330 827 HA HIS 103 HA HIS 103 23.036 -9.730 11.908 828 HB2 HIS 103 2HB HIS 103 20.984 -10.482 10.550 829 HB3 HIS 103 1HB HIS 103 21.585 -9.434 9.272 830 HD1 HIS 103 1HD HIS 103 22.314 -12.644 11.055 831 HD2 HIS 103 2HD HIS 103 23.786 -10.410 7.869 832 HE1 HIS 103 1HE HIS 103 23.913 -14.163 9.842 833 HE2 HIS 103 2HE HIS 103 24.794 -12.799 7.912 834 H HIS 104 HN HIS 104 25.015 -8.935 11.593 835 HA HIS 104 HA HIS 104 25.402 -6.265 10.756 836 HB2 HIS 104 2HB HIS 104 26.830 -7.341 12.421 837 HB3 HIS 104 1HB HIS 104 27.421 -8.474 11.213 838 HD1 HIS 104 1HD HIS 104 28.094 -5.199 12.685 839 HD2 HIS 104 2HD HIS 104 29.081 -7.200 9.172 840 HE1 HIS 104 1HE HIS 104 30.054 -3.952 11.718 841 HE2 HIS 104 2HE HIS 104 30.706 -5.246 9.651 842 H HIS 105 HN HIS 105 26.591 -9.292 9.256 843 HA HIS 105 HA HIS 105 27.516 -7.752 6.975 844 HB2 HIS 105 2HB HIS 105 28.946 -9.522 7.939 845 HB3 HIS 105 1HB HIS 105 27.726 -10.721 7.523 846 HD1 HIS 105 1HD HIS 105 29.031 -12.046 5.823 847 HD2 HIS 105 2HD HIS 105 29.017 -7.958 5.032 848 HE1 HIS 105 1HE HIS 105 30.067 -11.787 3.543 849 HE2 HIS 105 2HE HIS 105 30.185 -9.297 3.150 850 H HIS 106 HN HIS 106 26.258 -7.335 5.323 851 HA HIS 106 HA HIS 106 23.952 -9.062 4.794 852 HB2 HIS 106 2HB HIS 106 24.664 -6.341 3.679 853 HB3 HIS 106 1HB HIS 106 23.203 -7.237 3.289 854 HD1 HIS 106 1HD HIS 106 24.503 -4.767 5.578 855 HD2 HIS 106 2HD HIS 106 21.517 -7.661 5.672 856 HE1 HIS 106 1HE HIS 106 22.996 -4.125 7.490 857 HE2 HIS 106 2HE HIS 106 21.084 -5.773 7.384 Start of MODEL 20 1 H1 MET 1 H1 MET 1 -15.625 2.969 5.937 2 H2 MET 1 H2 MET 1 -15.641 4.659 5.929 3 H3 MET 1 H3 MET 1 -14.482 3.830 6.851 4 HA MET 1 HA MET 1 -14.700 3.798 3.895 5 HB2 MET 1 2HB MET 1 -13.874 5.943 4.824 6 HB3 MET 1 1HB MET 1 -12.617 5.066 5.685 7 HG2 MET 1 2HG MET 1 -11.585 5.930 3.763 8 HG3 MET 1 1HG MET 1 -11.836 4.219 3.447 9 HE1 MET 1 2HE MET 1 -14.478 7.128 3.379 10 HE2 MET 1 3HE MET 1 -14.470 7.556 1.669 11 HE3 MET 1 1HE MET 1 -13.050 7.878 2.663 12 H THR 2 HN THR 2 -13.819 2.056 3.010 13 HA THR 2 HA THR 2 -12.123 0.341 4.676 14 HB THR 2 HB THR 2 -12.391 -1.325 2.828 15 HG1 THR 2 1HG THR 2 -14.268 0.575 1.802 16 HG21 THR 2 3HG2 THR 2 -14.965 -0.224 3.968 17 HG22 THR 2 1HG2 THR 2 -13.887 -1.371 4.762 18 HG23 THR 2 2HG2 THR 2 -14.747 -1.839 3.295 19 H PHE 3 HN PHE 3 -10.206 -0.663 3.590 20 HA PHE 3 HA PHE 3 -8.436 1.337 2.721 21 HB2 PHE 3 2HB PHE 3 -7.698 -0.746 3.821 22 HB3 PHE 3 1HB PHE 3 -8.182 -1.663 2.397 23 HD1 PHE 3 1HD PHE 3 -5.890 1.035 3.522 24 HD2 PHE 3 2HD PHE 3 -6.697 -1.994 0.645 25 HE1 PHE 3 1HE PHE 3 -3.658 1.380 2.543 26 HE2 PHE 3 2HE PHE 3 -4.469 -1.654 -0.344 27 HZ PHE 3 HZ PHE 3 -2.948 0.032 0.605 28 H SER 4 HN SER 4 -10.293 -1.089 0.944 29 HA SER 4 HA SER 4 -9.252 -0.649 -1.611 30 HB2 SER 4 2HB SER 4 -12.097 -1.387 -0.872 31 HB3 SER 4 1HB SER 4 -11.349 -1.610 -2.453 32 HG SER 4 HG SER 4 -10.582 -2.850 -0.016 33 H GLU 5 HN GLU 5 -11.982 0.915 0.037 34 HA GLU 5 HA GLU 5 -12.741 2.599 -2.072 35 HB2 GLU 5 2HB GLU 5 -13.051 2.836 0.913 36 HB3 GLU 5 1HB GLU 5 -13.757 3.979 -0.210 37 HG2 GLU 5 2HG GLU 5 -15.105 2.272 -1.195 38 HG3 GLU 5 1HG GLU 5 -14.303 1.033 -0.234 39 H CYS 6 HN CYS 6 -10.605 3.155 0.697 40 HA CYS 6 HA CYS 6 -10.062 5.868 0.149 41 HB2 CYS 6 2HB CYS 6 -9.638 4.608 2.309 42 HB3 CYS 6 1HB CYS 6 -8.212 3.941 1.550 43 HG CYS 6 HG CYS 6 -7.614 6.916 0.988 44 H ALA 7 HN ALA 7 -8.270 2.905 -0.593 45 HA ALA 7 HA ALA 7 -6.150 4.093 -2.004 46 HB1 ALA 7 1HB ALA 7 -5.749 1.905 -2.970 47 HB2 ALA 7 2HB ALA 7 -7.349 1.365 -2.466 48 HB3 ALA 7 3HB ALA 7 -6.125 1.746 -1.253 49 H ALA 8 HN ALA 8 -9.280 2.855 -3.132 50 HA ALA 8 HA ALA 8 -8.906 3.371 -5.866 51 HB1 ALA 8 1HB ALA 8 -10.723 1.965 -4.999 52 HB2 ALA 8 2HB ALA 8 -11.321 3.231 -6.071 53 HB3 ALA 8 3HB ALA 8 -11.499 3.400 -4.324 54 H LEU 9 HN LEU 9 -10.163 5.409 -3.257 55 HA LEU 9 HA LEU 9 -10.889 7.607 -4.870 56 HB2 LEU 9 2HB LEU 9 -10.056 7.469 -1.975 57 HB3 LEU 9 1HB LEU 9 -10.639 8.933 -2.743 58 HG LEU 9 HG LEU 9 -12.204 6.380 -2.368 59 HD11 LEU 9 1HD1 LEU 9 -13.578 7.736 -0.860 60 HD12 LEU 9 2HD1 LEU 9 -12.475 9.095 -1.083 61 HD13 LEU 9 3HD1 LEU 9 -11.910 7.619 -0.301 62 HD21 LEU 9 3HD2 LEU 9 -12.820 7.470 -4.450 63 HD22 LEU 9 1HD2 LEU 9 -13.028 9.004 -3.607 64 HD23 LEU 9 2HD2 LEU 9 -14.105 7.652 -3.256 65 H TYR 10 HN TYR 10 -7.867 6.785 -3.217 66 HA TYR 10 HA TYR 10 -6.407 9.089 -3.823 67 HB2 TYR 10 2HB TYR 10 -5.564 7.380 -2.295 68 HB3 TYR 10 1HB TYR 10 -5.464 6.220 -3.611 69 HD1 TYR 10 2HD TYR 10 -4.123 9.536 -2.553 70 HD2 TYR 10 1HD TYR 10 -3.457 5.967 -4.774 71 HE1 TYR 10 2HE TYR 10 -1.817 10.255 -3.006 72 HE2 TYR 10 1HE TYR 10 -1.147 6.680 -5.234 73 HH TYR 10 HH TYR 10 0.168 8.724 -5.325 74 H ILE 11 HN ILE 11 -6.831 6.099 -5.634 75 HA ILE 11 HA ILE 11 -5.217 6.852 -7.848 76 HB ILE 11 HB ILE 11 -7.389 4.764 -7.606 77 HG12 ILE 11 2HG1 ILE 11 -4.376 4.477 -7.581 78 HG13 ILE 11 1HG1 ILE 11 -5.383 4.519 -6.138 79 HG21 ILE 11 1HG2 ILE 11 -7.133 5.323 -9.938 80 HG22 ILE 11 2HG2 ILE 11 -6.382 3.757 -9.631 81 HG23 ILE 11 3HG2 ILE 11 -5.380 5.193 -9.816 82 HD11 ILE 11 3HD1 ILE 11 -6.503 2.492 -6.837 83 HD12 ILE 11 1HD1 ILE 11 -4.757 2.252 -6.764 84 HD13 ILE 11 2HD1 ILE 11 -5.555 2.463 -8.323 85 H LYS 12 HN LYS 12 -8.732 6.821 -7.348 86 HA LYS 12 HA LYS 12 -9.417 7.665 -9.954 87 HB2 LYS 12 2HB LYS 12 -10.958 6.469 -8.491 88 HB3 LYS 12 1HB LYS 12 -10.960 7.809 -7.358 89 HG2 LYS 12 2HG LYS 12 -12.156 9.193 -8.865 90 HG3 LYS 12 1HG LYS 12 -11.934 8.046 -10.191 91 HD2 LYS 12 2HD LYS 12 -13.339 6.428 -9.105 92 HD3 LYS 12 1HD LYS 12 -13.440 7.423 -7.652 93 HE2 LYS 12 2HE LYS 12 -14.438 8.305 -10.352 94 HE3 LYS 12 1HE LYS 12 -15.451 7.494 -9.159 95 HZ1 LYS 12 3HZ LYS 12 -14.037 10.082 -8.759 96 HZ2 LYS 12 1HZ LYS 12 -15.013 9.301 -7.612 97 HZ3 LYS 12 2HZ LYS 12 -15.699 9.890 -9.044 98 H ALA 13 HN ALA 13 -8.747 9.466 -6.987 99 HA ALA 13 HA ALA 13 -9.597 11.970 -8.130 100 HB1 ALA 13 1HB ALA 13 -8.754 12.981 -6.094 101 HB2 ALA 13 2HB ALA 13 -7.957 11.472 -5.647 102 HB3 ALA 13 3HB ALA 13 -9.718 11.554 -5.713 103 H HIS 14 HN HIS 14 -7.041 10.093 -8.885 104 HA HIS 14 HA HIS 14 -5.496 12.436 -9.749 105 HB2 HIS 14 2HB HIS 14 -4.343 9.968 -8.436 106 HB3 HIS 14 1HB HIS 14 -3.379 11.149 -9.313 107 HD1 HIS 14 1HD HIS 14 -4.770 10.419 -6.034 108 HD2 HIS 14 2HD HIS 14 -3.435 13.795 -8.055 109 HE1 HIS 14 1HE HIS 14 -4.395 12.163 -4.261 110 HE2 HIS 14 2HE HIS 14 -3.857 14.263 -5.545 111 H ARG 15 HN ARG 15 -7.265 9.975 -10.791 112 HA ARG 15 HA ARG 15 -5.563 8.555 -12.537 113 HB2 ARG 15 2HB ARG 15 -7.683 7.896 -13.710 114 HB3 ARG 15 1HB ARG 15 -7.670 7.574 -11.987 115 HG2 ARG 15 2HG ARG 15 -9.070 9.478 -11.566 116 HG3 ARG 15 1HG ARG 15 -8.973 9.969 -13.258 117 HD2 ARG 15 2HD ARG 15 -10.095 7.318 -12.388 118 HD3 ARG 15 1HD ARG 15 -11.087 8.767 -12.549 119 HE ARG 15 HE ARG 15 -9.904 8.675 -14.942 120 HH11 ARG 15 1HH1 ARG 15 -11.497 6.159 -13.080 121 HH12 ARG 15 2HH1 ARG 15 -12.050 5.294 -14.484 122 HH21 ARG 15 1HH2 ARG 15 -10.648 7.552 -16.775 123 HH22 ARG 15 2HH2 ARG 15 -11.601 6.113 -16.588 124 H SER 16 HN SER 16 -7.532 11.464 -12.997 125 HA SER 16 HA SER 16 -6.910 11.772 -15.739 126 HB2 SER 16 2HB SER 16 -7.805 13.806 -13.690 127 HB3 SER 16 1HB SER 16 -7.840 14.017 -15.432 128 HG SER 16 HG SER 16 -9.512 12.558 -13.787 129 H SER 17 HN SER 17 -5.222 12.451 -12.828 130 HA SER 17 HA SER 17 -3.395 14.345 -13.977 131 HB2 SER 17 2HB SER 17 -3.064 12.743 -11.438 132 HB3 SER 17 1HB SER 17 -2.319 14.286 -11.847 133 HG SER 17 HG SER 17 -4.894 14.688 -12.063 134 H TRP 18 HN TRP 18 -3.451 10.896 -13.223 135 HA TRP 18 HA TRP 18 -0.713 10.461 -13.944 136 HB2 TRP 18 2HB TRP 18 -2.974 8.510 -13.481 137 HB3 TRP 18 1HB TRP 18 -1.294 8.051 -13.725 138 HD1 TRP 18 1HD TRP 18 -0.586 10.811 -11.737 139 HE1 TRP 18 1HE TRP 18 -0.594 10.307 -9.206 140 HE3 TRP 18 3HE TRP 18 -3.199 6.432 -11.808 141 HZ2 TRP 18 2HZ TRP 18 -1.571 8.291 -7.478 142 HZ3 TRP 18 3HZ TRP 18 -3.615 5.267 -9.687 143 HH2 TRP 18 2HH TRP 18 -2.825 6.180 -7.564 144 H LYS 19 HN LYS 19 -3.809 10.206 -15.597 145 HA LYS 19 HA LYS 19 -4.321 10.076 -17.753 146 HB2 LYS 19 2HB LYS 19 -1.362 10.427 -18.078 147 HB3 LYS 19 1HB LYS 19 -2.468 10.254 -19.440 148 HG2 LYS 19 2HG LYS 19 -2.670 12.379 -17.333 149 HG3 LYS 19 1HG LYS 19 -1.978 12.593 -18.945 150 HD2 LYS 19 2HD LYS 19 -4.109 12.035 -19.965 151 HD3 LYS 19 1HD LYS 19 -4.813 11.718 -18.380 152 HE2 LYS 19 2HE LYS 19 -4.455 14.060 -17.762 153 HE3 LYS 19 1HE LYS 19 -3.768 14.372 -19.357 154 HZ1 LYS 19 3HZ LYS 19 -5.867 13.862 -20.366 155 HZ2 LYS 19 1HZ LYS 19 -6.121 15.021 -19.153 156 HZ3 LYS 19 2HZ LYS 19 -6.537 13.402 -18.877 157 H ASN 20 HN ASN 20 -4.048 7.062 -19.206 158 HA ASN 20 HA ASN 20 -2.527 6.996 -20.802 159 HB2 ASN 20 2HB ASN 20 -2.184 9.368 -20.945 160 HB3 ASN 20 1HB ASN 20 -1.167 9.345 -19.508 161 HD21 ASN 20 1HD2 ASN 20 0.933 8.965 -19.687 162 HD22 ASN 20 2HD2 ASN 20 1.741 8.607 -21.179 163 H THR 21 HN THR 21 -1.069 5.586 -21.096 164 HA THR 21 HA THR 21 0.309 3.852 -20.719 165 HB THR 21 HB THR 21 2.171 3.936 -19.231 166 HG1 THR 21 1HG THR 21 0.792 6.073 -17.955 167 HG21 THR 21 3HG2 THR 21 3.232 6.063 -19.833 168 HG22 THR 21 1HG2 THR 21 1.665 6.690 -20.349 169 HG23 THR 21 2HG2 THR 21 2.394 5.326 -21.200 170 H LYS 22 HN LYS 22 0.963 2.183 -19.012 171 HA LYS 22 HA LYS 22 -1.487 1.399 -17.682 172 HB2 LYS 22 2HB LYS 22 1.175 0.049 -18.107 173 HB3 LYS 22 1HB LYS 22 -0.117 -0.673 -17.160 174 HG2 LYS 22 2HG LYS 22 -0.618 0.239 -19.963 175 HG3 LYS 22 1HG LYS 22 0.149 -1.317 -19.646 176 HD2 LYS 22 2HD LYS 22 -2.463 -0.503 -18.391 177 HD3 LYS 22 1HD LYS 22 -2.370 -1.339 -19.942 178 HE2 LYS 22 2HE LYS 22 -1.144 -3.174 -18.854 179 HE3 LYS 22 1HE LYS 22 -1.287 -2.340 -17.310 180 HZ1 LYS 22 3HZ LYS 22 -2.951 -4.121 -17.674 181 HZ2 LYS 22 1HZ LYS 22 -3.612 -3.210 -18.940 182 HZ3 LYS 22 2HZ LYS 22 -3.644 -2.606 -17.355 183 H HIS 23 HN HIS 23 0.590 3.533 -16.720 184 HA HIS 23 HA HIS 23 1.643 2.681 -14.251 185 HB2 HIS 23 2HB HIS 23 1.737 4.996 -15.756 186 HB3 HIS 23 1HB HIS 23 0.825 5.503 -14.339 187 HD1 HIS 23 1HD HIS 23 2.296 6.482 -12.617 188 HD2 HIS 23 2HD HIS 23 4.233 3.515 -14.808 189 HE1 HIS 23 1HE HIS 23 4.619 6.333 -11.656 190 HE2 HIS 23 2HE HIS 23 5.746 4.464 -12.919 191 H ALA 24 HN ALA 24 -1.425 4.314 -15.019 192 HA ALA 24 HA ALA 24 -2.367 4.411 -12.346 193 HB1 ALA 24 1HB ALA 24 -3.272 5.846 -14.119 194 HB2 ALA 24 2HB ALA 24 -4.546 4.913 -13.336 195 HB3 ALA 24 3HB ALA 24 -3.950 4.430 -14.923 196 H ASP 25 HN ASP 25 -2.612 2.057 -14.930 197 HA ASP 25 HA ASP 25 -4.472 0.298 -13.750 198 HB2 ASP 25 2HB ASP 25 -3.795 0.178 -16.124 199 HB3 ASP 25 1HB ASP 25 -2.184 -0.330 -15.635 200 H GLN 26 HN GLN 26 -0.943 0.405 -13.703 201 HA GLN 26 HA GLN 26 -0.438 -1.862 -12.191 202 HB2 GLN 26 2HB GLN 26 1.036 0.722 -12.591 203 HB3 GLN 26 1HB GLN 26 1.677 -0.519 -11.533 204 HG2 GLN 26 2HG GLN 26 1.656 -2.109 -13.395 205 HG3 GLN 26 1HG GLN 26 1.037 -0.841 -14.452 206 HE21 GLN 26 1HE2 GLN 26 2.820 -0.978 -15.804 207 HE22 GLN 26 2HE2 GLN 26 4.376 -0.365 -15.354 208 H TRP 27 HN TRP 27 -1.123 1.446 -11.116 209 HA TRP 27 HA TRP 27 -0.704 1.043 -8.374 210 HB2 TRP 27 2HB TRP 27 -2.316 2.975 -9.982 211 HB3 TRP 27 1HB TRP 27 -2.580 2.901 -8.244 212 HD1 TRP 27 1HD TRP 27 0.062 3.920 -10.831 213 HE1 TRP 27 1HE TRP 27 1.837 5.370 -9.641 214 HE3 TRP 27 3HE TRP 27 -1.489 3.308 -5.997 215 HZ2 TRP 27 2HZ TRP 27 2.490 6.134 -7.007 216 HZ3 TRP 27 3HZ TRP 27 -0.233 4.428 -4.203 217 HH2 TRP 27 2HH TRP 27 1.715 5.811 -4.698 218 H THR 28 HN THR 28 -3.698 0.764 -10.276 219 HA THR 28 HA THR 28 -5.300 -0.028 -8.064 220 HB THR 28 HB THR 28 -5.881 -0.534 -10.982 221 HG1 THR 28 1HG THR 28 -5.657 1.811 -9.583 222 HG21 THR 28 3HG2 THR 28 -7.679 -0.112 -8.592 223 HG22 THR 28 1HG2 THR 28 -7.414 -1.636 -9.439 224 HG23 THR 28 2HG2 THR 28 -8.223 -0.300 -10.258 225 H ASN 29 HN ASN 29 -3.710 -1.798 -10.678 226 HA ASN 29 HA ASN 29 -4.961 -4.270 -10.328 227 HB2 ASN 29 2HB ASN 29 -3.569 -3.436 -12.285 228 HB3 ASN 29 1HB ASN 29 -2.144 -3.847 -11.343 229 HD21 ASN 29 1HD2 ASN 29 -3.092 -4.854 -13.902 230 HD22 ASN 29 2HD2 ASN 29 -3.234 -6.571 -13.717 231 H THR 30 HN THR 30 -1.823 -3.149 -9.033 232 HA THR 30 HA THR 30 -1.175 -5.629 -7.845 233 HB THR 30 HB THR 30 -0.181 -2.931 -6.953 234 HG1 THR 30 1HG THR 30 0.582 -4.554 -9.175 235 HG21 THR 30 3HG2 THR 30 1.143 -5.642 -6.949 236 HG22 THR 30 1HG2 THR 30 0.437 -4.853 -5.540 237 HG23 THR 30 2HG2 THR 30 1.833 -4.136 -6.342 238 H ILE 31 HN ILE 31 -2.628 -2.666 -6.492 239 HA ILE 31 HA ILE 31 -2.732 -3.594 -3.827 240 HB ILE 31 HB ILE 31 -4.446 -1.511 -5.193 241 HG12 ILE 31 2HG1 ILE 31 -1.988 -1.207 -3.455 242 HG13 ILE 31 1HG1 ILE 31 -2.020 -1.023 -5.208 243 HG21 ILE 31 1HG2 ILE 31 -5.535 -2.324 -3.177 244 HG22 ILE 31 2HG2 ILE 31 -4.934 -0.684 -2.935 245 HG23 ILE 31 3HG2 ILE 31 -4.058 -2.053 -2.252 246 HD11 ILE 31 3HD1 ILE 31 -2.025 1.132 -4.083 247 HD12 ILE 31 1HD1 ILE 31 -3.499 0.694 -3.219 248 HD13 ILE 31 2HD1 ILE 31 -3.526 0.883 -4.971 249 H LYS 32 HN LYS 32 -5.107 -3.619 -6.444 250 HA LYS 32 HA LYS 32 -7.276 -4.661 -5.027 251 HB2 LYS 32 2HB LYS 32 -7.269 -3.723 -7.382 252 HB3 LYS 32 1HB LYS 32 -6.590 -5.254 -7.911 253 HG2 LYS 32 2HG LYS 32 -8.853 -5.919 -6.405 254 HG3 LYS 32 1HG LYS 32 -9.324 -4.550 -7.414 255 HD2 LYS 32 2HD LYS 32 -9.774 -6.538 -8.654 256 HD3 LYS 32 1HD LYS 32 -8.351 -5.785 -9.375 257 HE2 LYS 32 2HE LYS 32 -6.923 -7.315 -8.065 258 HE3 LYS 32 1HE LYS 32 -8.372 -8.104 -7.448 259 HZ1 LYS 32 3HZ LYS 32 -7.350 -8.073 -10.221 260 HZ2 LYS 32 1HZ LYS 32 -8.945 -8.524 -9.853 261 HZ3 LYS 32 2HZ LYS 32 -7.649 -9.409 -9.222 262 H THR 33 HN THR 33 -4.502 -6.219 -6.503 263 HA THR 33 HA THR 33 -5.671 -8.854 -6.335 264 HB THR 33 HB THR 33 -2.865 -8.033 -7.125 265 HG1 THR 33 1HG THR 33 -4.129 -7.179 -8.675 266 HG21 THR 33 3HG2 THR 33 -2.817 -10.229 -8.258 267 HG22 THR 33 1HG2 THR 33 -4.387 -10.611 -7.552 268 HG23 THR 33 2HG2 THR 33 -2.983 -10.387 -6.508 269 H TYR 34 HN TYR 34 -2.842 -7.240 -4.862 270 HA TYR 34 HA TYR 34 -2.350 -9.541 -3.203 271 HB2 TYR 34 2HB TYR 34 -0.966 -6.877 -3.450 272 HB3 TYR 34 1HB TYR 34 -0.470 -8.118 -2.298 273 HD1 TYR 34 2HD TYR 34 0.196 -10.391 -3.191 274 HD2 TYR 34 1HD TYR 34 -0.265 -6.990 -5.703 275 HE1 TYR 34 2HE TYR 34 1.519 -11.510 -4.937 276 HE2 TYR 34 1HE TYR 34 1.052 -8.098 -7.461 277 HH TYR 34 HH TYR 34 1.750 -11.393 -7.422 278 H CYS 35 HN CYS 35 -3.371 -6.181 -2.601 279 HA CYS 35 HA CYS 35 -3.510 -6.667 0.242 280 HB2 CYS 35 2HB CYS 35 -4.390 -4.258 -1.363 281 HB3 CYS 35 1HB CYS 35 -4.228 -4.329 0.390 282 HG CYS 35 HG CYS 35 -1.388 -5.018 0.047 283 H GLY 36 HN GLY 36 -5.670 -6.686 -2.448 284 HA2 GLY 36 2HA GLY 36 -8.132 -6.089 -1.449 285 HA3 GLY 36 1HA GLY 36 -7.857 -7.329 -2.658 286 HA PRO 37 HA PRO 37 -9.189 -10.596 -0.116 287 HB2 PRO 37 2HB PRO 37 -7.110 -12.336 0.235 288 HB3 PRO 37 1HB PRO 37 -8.037 -12.185 -1.262 289 HG2 PRO 37 2HG PRO 37 -5.394 -10.972 -0.541 290 HG3 PRO 37 1HG PRO 37 -5.888 -11.760 -2.052 291 HD2 PRO 37 2HD PRO 37 -5.800 -9.090 -1.839 292 HD3 PRO 37 1HD PRO 37 -7.076 -9.899 -2.776 293 H VAL 38 HN VAL 38 -6.669 -8.712 1.195 294 HA VAL 38 HA VAL 38 -7.050 -9.993 3.821 295 HB VAL 38 HB VAL 38 -4.640 -8.389 2.957 296 HG11 VAL 38 1HG1 VAL 38 -3.633 -9.234 5.029 297 HG12 VAL 38 2HG1 VAL 38 -5.145 -10.051 5.431 298 HG13 VAL 38 3HG1 VAL 38 -5.086 -8.290 5.362 299 HG21 VAL 38 3HG2 VAL 38 -4.947 -11.379 3.263 300 HG22 VAL 38 1HG2 VAL 38 -3.443 -10.528 2.917 301 HG23 VAL 38 2HG2 VAL 38 -4.757 -10.509 1.740 302 H ILE 39 HN ILE 39 -5.718 -6.822 2.861 303 HA ILE 39 HA ILE 39 -7.224 -5.657 5.074 304 HB ILE 39 HB ILE 39 -5.787 -3.665 4.745 305 HG12 ILE 39 2HG1 ILE 39 -4.396 -5.388 2.681 306 HG13 ILE 39 1HG1 ILE 39 -5.360 -3.955 2.335 307 HG21 ILE 39 1HG2 ILE 39 -3.711 -4.700 5.556 308 HG22 ILE 39 2HG2 ILE 39 -4.327 -6.281 5.072 309 HG23 ILE 39 3HG2 ILE 39 -5.140 -5.367 6.344 310 HD11 ILE 39 3HD1 ILE 39 -2.973 -3.479 2.253 311 HD12 ILE 39 1HD1 ILE 39 -2.803 -4.011 3.924 312 HD13 ILE 39 2HD1 ILE 39 -3.758 -2.576 3.549 313 H GLY 40 HN GLY 40 -7.642 -6.073 1.838 314 HA2 GLY 40 2HA GLY 40 -8.414 -3.666 0.757 315 HA3 GLY 40 1HA GLY 40 -9.132 -5.208 0.332 316 HA PRO 41 HA PRO 41 -12.886 -3.957 2.246 317 HB2 PRO 41 2HB PRO 41 -13.429 -6.367 3.718 318 HB3 PRO 41 1HB PRO 41 -14.046 -5.887 2.137 319 HG2 PRO 41 2HG PRO 41 -12.316 -7.981 2.542 320 HG3 PRO 41 1HG PRO 41 -12.474 -7.097 1.015 321 HD2 PRO 41 2HD PRO 41 -10.416 -6.808 3.171 322 HD3 PRO 41 1HD PRO 41 -10.216 -6.764 1.405 323 H LEU 42 HN LEU 42 -10.294 -4.267 4.211 324 HA LEU 42 HA LEU 42 -11.700 -4.014 6.741 325 HB2 LEU 42 2HB LEU 42 -8.750 -3.864 6.099 326 HB3 LEU 42 1HB LEU 42 -9.432 -3.790 7.712 327 HG LEU 42 HG LEU 42 -9.533 -6.151 5.835 328 HD11 LEU 42 1HD1 LEU 42 -8.109 -5.796 8.468 329 HD12 LEU 42 2HD1 LEU 42 -7.345 -5.732 6.880 330 HD13 LEU 42 3HD1 LEU 42 -8.086 -7.230 7.444 331 HD21 LEU 42 3HD2 LEU 42 -10.586 -7.355 7.678 332 HD22 LEU 42 1HD2 LEU 42 -11.584 -5.999 7.158 333 HD23 LEU 42 2HD2 LEU 42 -10.628 -5.874 8.635 334 H SER 43 HN SER 43 -11.412 -2.157 8.129 335 HA SER 43 HA SER 43 -11.839 0.300 6.925 336 HB2 SER 43 2HB SER 43 -10.813 -0.204 9.721 337 HB3 SER 43 1HB SER 43 -11.837 1.104 9.161 338 HG SER 43 HG SER 43 -13.002 -0.572 10.255 339 H VAL 44 HN VAL 44 -10.509 1.977 6.410 340 HA VAL 44 HA VAL 44 -7.832 1.396 5.761 341 HB VAL 44 HB VAL 44 -9.192 3.022 4.513 342 HG11 VAL 44 1HG1 VAL 44 -9.520 5.291 5.380 343 HG12 VAL 44 2HG1 VAL 44 -8.856 4.785 6.933 344 HG13 VAL 44 3HG1 VAL 44 -10.366 4.084 6.349 345 HG21 VAL 44 3HG2 VAL 44 -7.451 4.761 4.236 346 HG22 VAL 44 1HG2 VAL 44 -6.790 3.126 4.260 347 HG23 VAL 44 2HG2 VAL 44 -6.653 4.151 5.686 348 H GLN 45 HN GLN 45 -9.243 2.737 8.636 349 HA GLN 45 HA GLN 45 -6.786 3.884 9.604 350 HB2 GLN 45 2HB GLN 45 -9.149 4.669 10.159 351 HB3 GLN 45 1HB GLN 45 -9.264 3.271 11.214 352 HG2 GLN 45 2HG GLN 45 -6.926 5.036 11.592 353 HG3 GLN 45 1HG GLN 45 -8.498 5.687 12.043 354 HE21 GLN 45 1HE2 GLN 45 -6.061 3.321 12.757 355 HE22 GLN 45 2HE2 GLN 45 -6.699 2.840 14.289 356 H ASP 46 HN ASP 46 -8.540 0.891 9.907 357 HA ASP 46 HA ASP 46 -7.189 -0.095 12.203 358 HB2 ASP 46 2HB ASP 46 -8.960 -1.352 10.127 359 HB3 ASP 46 1HB ASP 46 -8.175 -2.324 11.366 360 H VAL 47 HN VAL 47 -6.360 0.041 8.887 361 HA VAL 47 HA VAL 47 -4.716 -2.225 8.659 362 HB VAL 47 HB VAL 47 -4.377 0.442 7.274 363 HG11 VAL 47 1HG1 VAL 47 -3.363 -2.298 6.526 364 HG12 VAL 47 2HG1 VAL 47 -2.385 -0.942 7.088 365 HG13 VAL 47 3HG1 VAL 47 -3.220 -0.845 5.537 366 HG21 VAL 47 3HG2 VAL 47 -5.656 -0.572 5.447 367 HG22 VAL 47 1HG2 VAL 47 -6.604 -0.471 6.930 368 HG23 VAL 47 2HG2 VAL 47 -5.909 -2.014 6.431 369 H ASP 48 HN ASP 48 -3.146 -2.695 10.053 370 HA ASP 48 HA ASP 48 -1.232 -0.567 10.757 371 HB2 ASP 48 2HB ASP 48 -0.977 -1.444 12.941 372 HB3 ASP 48 1HB ASP 48 -2.711 -1.409 12.659 373 H THR 49 HN THR 49 0.736 -1.982 11.909 374 HA THR 49 HA THR 49 2.213 -2.899 9.726 375 HB THR 49 HB THR 49 2.779 -3.649 12.591 376 HG1 THR 49 1HG THR 49 3.961 -1.559 12.521 377 HG21 THR 49 3HG2 THR 49 4.560 -3.048 10.225 378 HG22 THR 49 1HG2 THR 49 4.262 -4.636 10.932 379 HG23 THR 49 2HG2 THR 49 5.120 -3.406 11.859 380 H LYS 50 HN LYS 50 0.428 -4.690 12.208 381 HA LYS 50 HA LYS 50 1.430 -7.253 11.640 382 HB2 LYS 50 2HB LYS 50 0.184 -6.560 13.681 383 HB3 LYS 50 1HB LYS 50 -1.280 -6.472 12.726 384 HG2 LYS 50 2HG LYS 50 0.235 -9.031 12.818 385 HG3 LYS 50 1HG LYS 50 -0.761 -8.558 14.192 386 HD2 LYS 50 2HD LYS 50 -2.664 -8.252 12.578 387 HD3 LYS 50 1HD LYS 50 -1.643 -8.989 11.342 388 HE2 LYS 50 2HE LYS 50 -3.124 -10.645 12.311 389 HE3 LYS 50 1HE LYS 50 -1.448 -11.009 12.724 390 HZ1 LYS 50 3HZ LYS 50 -3.335 -9.581 14.524 391 HZ2 LYS 50 1HZ LYS 50 -1.784 -10.140 14.913 392 HZ3 LYS 50 2HZ LYS 50 -3.031 -11.243 14.598 393 H LEU 51 HN LEU 51 -1.429 -5.543 10.472 394 HA LEU 51 HA LEU 51 -2.430 -7.638 8.878 395 HB2 LEU 51 2HB LEU 51 -2.825 -4.657 8.677 396 HB3 LEU 51 1HB LEU 51 -3.757 -5.842 7.792 397 HG LEU 51 HG LEU 51 -3.700 -5.503 10.783 398 HD11 LEU 51 1HD1 LEU 51 -5.849 -4.959 8.744 399 HD12 LEU 51 2HD1 LEU 51 -4.941 -3.751 9.656 400 HD13 LEU 51 3HD1 LEU 51 -6.044 -4.846 10.494 401 HD21 LEU 51 3HD2 LEU 51 -5.288 -7.424 9.089 402 HD22 LEU 51 1HD2 LEU 51 -5.442 -7.208 10.833 403 HD23 LEU 51 2HD2 LEU 51 -3.946 -7.852 10.152 404 H ILE 52 HN ILE 52 -0.235 -4.961 8.199 405 HA ILE 52 HA ILE 52 -0.104 -5.402 5.398 406 HB ILE 52 HB ILE 52 1.831 -3.968 7.224 407 HG12 ILE 52 2HG1 ILE 52 -0.353 -2.910 5.414 408 HG13 ILE 52 1HG1 ILE 52 -0.458 -3.032 7.164 409 HG21 ILE 52 1HG2 ILE 52 2.692 -2.900 5.201 410 HG22 ILE 52 2HG2 ILE 52 1.625 -3.900 4.216 411 HG23 ILE 52 3HG2 ILE 52 2.922 -4.649 5.148 412 HD11 ILE 52 3HD1 ILE 52 0.030 -0.762 6.456 413 HD12 ILE 52 1HD1 ILE 52 1.490 -1.320 5.641 414 HD13 ILE 52 2HD1 ILE 52 1.364 -1.432 7.397 415 H MET 53 HN MET 53 1.885 -6.479 8.128 416 HA MET 53 HA MET 53 3.957 -7.665 6.664 417 HB2 MET 53 2HB MET 53 2.847 -8.202 9.402 418 HB3 MET 53 1HB MET 53 4.133 -9.204 8.743 419 HG2 MET 53 2HG MET 53 5.505 -7.172 8.440 420 HG3 MET 53 1HG MET 53 4.230 -6.233 9.213 421 HE1 MET 53 3HE MET 53 7.157 -6.445 11.881 422 HE2 MET 53 1HE MET 53 6.232 -5.366 10.838 423 HE3 MET 53 2HE MET 53 7.401 -6.485 10.135 424 H LYS 54 HN LYS 54 0.851 -9.006 7.718 425 HA LYS 54 HA LYS 54 1.270 -11.653 6.986 426 HB2 LYS 54 2HB LYS 54 -1.251 -10.003 7.017 427 HB3 LYS 54 1HB LYS 54 -1.246 -11.724 6.653 428 HG2 LYS 54 2HG LYS 54 -0.064 -12.020 8.893 429 HG3 LYS 54 1HG LYS 54 -0.544 -10.355 9.227 430 HD2 LYS 54 2HD LYS 54 -2.150 -11.980 10.140 431 HD3 LYS 54 1HD LYS 54 -2.885 -10.946 8.912 432 HE2 LYS 54 2HE LYS 54 -2.617 -12.698 7.250 433 HE3 LYS 54 1HE LYS 54 -1.822 -13.726 8.438 434 HZ1 LYS 54 3HZ LYS 54 -4.576 -12.718 8.831 435 HZ2 LYS 54 1HZ LYS 54 -3.802 -14.008 9.616 436 HZ3 LYS 54 2HZ LYS 54 -4.251 -14.154 7.986 437 H VAL 55 HN VAL 55 0.318 -8.900 5.016 438 HA VAL 55 HA VAL 55 -0.274 -10.425 2.678 439 HB VAL 55 HB VAL 55 0.425 -7.491 2.870 440 HG11 VAL 55 1HG1 VAL 55 -0.878 -7.308 0.783 441 HG12 VAL 55 2HG1 VAL 55 -1.037 -9.065 0.753 442 HG13 VAL 55 3HG1 VAL 55 0.555 -8.318 0.601 443 HG21 VAL 55 3HG2 VAL 55 -2.269 -8.836 3.025 444 HG22 VAL 55 1HG2 VAL 55 -1.992 -7.095 2.948 445 HG23 VAL 55 2HG2 VAL 55 -1.434 -8.016 4.345 446 H LEU 56 HN LEU 56 2.510 -8.502 3.744 447 HA LEU 56 HA LEU 56 3.909 -8.791 1.264 448 HB2 LEU 56 2HB LEU 56 4.828 -7.799 3.958 449 HB3 LEU 56 1HB LEU 56 5.787 -7.719 2.495 450 HG LEU 56 HG LEU 56 3.145 -6.329 2.928 451 HD11 LEU 56 1HD1 LEU 56 4.884 -5.353 4.283 452 HD12 LEU 56 2HD1 LEU 56 4.516 -4.287 2.925 453 HD13 LEU 56 3HD1 LEU 56 5.969 -5.287 2.895 454 HD21 LEU 56 3HD2 LEU 56 5.105 -6.134 0.643 455 HD22 LEU 56 1HD2 LEU 56 3.623 -5.198 0.831 456 HD23 LEU 56 2HD2 LEU 56 3.538 -6.942 0.584 457 H ASP 57 HN ASP 57 3.945 -10.495 4.304 458 HA ASP 57 HA ASP 57 6.487 -11.500 4.433 459 HB2 ASP 57 2HB ASP 57 4.520 -11.778 6.068 460 HB3 ASP 57 1HB ASP 57 4.133 -13.218 5.148 461 HA PRO 58 HA PRO 58 5.445 -15.411 1.871 462 HB2 PRO 58 2HB PRO 58 3.167 -15.508 0.415 463 HB3 PRO 58 1HB PRO 58 3.247 -16.033 2.100 464 HG2 PRO 58 2HG PRO 58 2.251 -13.451 0.965 465 HG3 PRO 58 1HG PRO 58 1.557 -14.447 2.258 466 HD2 PRO 58 2HD PRO 58 3.036 -12.215 2.732 467 HD3 PRO 58 1HD PRO 58 2.980 -13.592 3.847 468 H ILE 59 HN ILE 59 4.868 -12.220 0.698 469 HA ILE 59 HA ILE 59 5.123 -12.884 -2.098 470 HB ILE 59 HB ILE 59 5.312 -10.148 -0.815 471 HG12 ILE 59 2HG1 ILE 59 2.907 -11.561 -1.998 472 HG13 ILE 59 1HG1 ILE 59 3.173 -11.259 -0.284 473 HG21 ILE 59 1HG2 ILE 59 6.215 -10.255 -3.087 474 HG22 ILE 59 2HG2 ILE 59 4.723 -9.316 -3.031 475 HG23 ILE 59 3HG2 ILE 59 4.702 -10.964 -3.658 476 HD11 ILE 59 3HD1 ILE 59 3.107 -8.842 -0.724 477 HD12 ILE 59 1HD1 ILE 59 1.614 -9.657 -1.186 478 HD13 ILE 59 2HD1 ILE 59 2.778 -9.180 -2.424 479 H TRP 60 HN TRP 60 7.260 -11.934 0.494 480 HA TRP 60 HA TRP 60 9.408 -10.914 -0.965 481 HB2 TRP 60 2HB TRP 60 9.436 -12.500 1.606 482 HB3 TRP 60 1HB TRP 60 10.828 -11.644 0.957 483 HD1 TRP 60 1HD TRP 60 8.241 -11.200 3.433 484 HE1 TRP 60 1HE TRP 60 7.891 -8.720 4.022 485 HE3 TRP 60 3HE TRP 60 10.707 -9.069 -0.507 486 HZ2 TRP 60 2HZ TRP 60 8.561 -6.192 2.956 487 HZ3 TRP 60 3HZ TRP 60 10.807 -6.612 -0.648 488 HH2 TRP 60 2HH TRP 60 9.755 -5.206 1.049 489 H GLU 61 HN GLU 61 8.440 -14.236 -0.422 490 HA GLU 61 HA GLU 61 10.885 -15.373 -1.351 491 HB2 GLU 61 2HB GLU 61 8.164 -16.426 -0.653 492 HB3 GLU 61 1HB GLU 61 9.375 -17.457 -1.378 493 HG2 GLU 61 2HG GLU 61 9.639 -15.971 1.218 494 HG3 GLU 61 1HG GLU 61 9.374 -17.703 1.026 495 H GLN 62 HN GLN 62 7.828 -14.475 -2.767 496 HA GLN 62 HA GLN 62 8.360 -15.974 -5.202 497 HB2 GLN 62 2HB GLN 62 6.002 -14.361 -4.237 498 HB3 GLN 62 1HB GLN 62 6.092 -15.042 -5.854 499 HG2 GLN 62 2HG GLN 62 6.135 -17.260 -5.008 500 HG3 GLN 62 1HG GLN 62 6.351 -16.689 -3.355 501 HE21 GLN 62 1HE2 GLN 62 4.544 -17.858 -2.690 502 HE22 GLN 62 2HE2 GLN 62 2.937 -17.311 -3.038 503 H LYS 63 HN LYS 63 7.600 -12.607 -4.333 504 HA LYS 63 HA LYS 63 9.203 -11.679 -6.595 505 HB2 LYS 63 2HB LYS 63 6.320 -10.879 -6.123 506 HB3 LYS 63 1HB LYS 63 7.392 -10.132 -7.299 507 HG2 LYS 63 2HG LYS 63 7.410 -12.026 -8.663 508 HG3 LYS 63 1HG LYS 63 6.816 -13.072 -7.373 509 HD2 LYS 63 2HD LYS 63 5.056 -12.671 -8.976 510 HD3 LYS 63 1HD LYS 63 4.658 -11.883 -7.448 511 HE2 LYS 63 2HE LYS 63 5.425 -9.745 -8.362 512 HE3 LYS 63 1HE LYS 63 5.828 -10.543 -9.884 513 HZ1 LYS 63 3HZ LYS 63 3.487 -11.135 -10.134 514 HZ2 LYS 63 1HZ LYS 63 3.692 -9.454 -10.038 515 HZ3 LYS 63 2HZ LYS 63 3.111 -10.316 -8.695 516 HA PRO 64 HA PRO 64 9.965 -9.517 -2.568 517 HB2 PRO 64 2HB PRO 64 12.562 -8.864 -3.230 518 HB3 PRO 64 1HB PRO 64 12.075 -10.341 -2.393 519 HG2 PRO 64 2HG PRO 64 12.688 -9.911 -5.287 520 HG3 PRO 64 1HG PRO 64 13.103 -11.283 -4.243 521 HD2 PRO 64 2HD PRO 64 11.076 -11.409 -6.003 522 HD3 PRO 64 1HD PRO 64 10.992 -12.221 -4.426 523 H GLU 65 HN GLU 65 11.095 -8.376 -5.750 524 HA GLU 65 HA GLU 65 11.249 -5.669 -5.096 525 HB2 GLU 65 2HB GLU 65 11.157 -5.361 -7.563 526 HB3 GLU 65 1HB GLU 65 12.349 -6.527 -7.043 527 HG2 GLU 65 2HG GLU 65 10.877 -8.344 -7.670 528 HG3 GLU 65 1HG GLU 65 9.627 -7.191 -8.136 529 H THR 66 HN THR 66 8.632 -7.651 -6.357 530 HA THR 66 HA THR 66 6.802 -5.559 -6.849 531 HB THR 66 HB THR 66 6.154 -8.430 -6.158 532 HG1 THR 66 1HG THR 66 7.170 -7.217 -8.496 533 HG21 THR 66 3HG2 THR 66 4.152 -8.054 -7.511 534 HG22 THR 66 1HG2 THR 66 4.651 -6.387 -7.802 535 HG23 THR 66 2HG2 THR 66 4.220 -6.908 -6.173 536 H ALA 67 HN ALA 67 7.527 -7.532 -4.030 537 HA ALA 67 HA ALA 67 5.388 -6.703 -2.403 538 HB1 ALA 67 1HB ALA 67 6.708 -7.523 -0.537 539 HB2 ALA 67 2HB ALA 67 8.147 -7.571 -1.555 540 HB3 ALA 67 3HB ALA 67 6.791 -8.648 -1.892 541 H SER 68 HN SER 68 8.656 -5.384 -2.839 542 HA SER 68 HA SER 68 8.324 -3.323 -0.908 543 HB2 SER 68 2HB SER 68 10.540 -4.165 -1.776 544 HB3 SER 68 1HB SER 68 10.219 -3.281 -3.269 545 HG SER 68 HG SER 68 10.509 -1.407 -2.255 546 H ARG 69 HN ARG 69 7.860 -3.482 -4.424 547 HA ARG 69 HA ARG 69 7.149 -0.803 -4.822 548 HB2 ARG 69 2HB ARG 69 6.392 -3.341 -6.258 549 HB3 ARG 69 1HB ARG 69 5.865 -1.761 -6.796 550 HG2 ARG 69 2HG ARG 69 8.207 -1.071 -7.040 551 HG3 ARG 69 1HG ARG 69 8.707 -2.687 -6.545 552 HD2 ARG 69 2HD ARG 69 7.543 -3.643 -8.472 553 HD3 ARG 69 1HD ARG 69 7.031 -2.029 -8.964 554 HE ARG 69 HE ARG 69 9.852 -2.125 -8.714 555 HH11 ARG 69 1HH1 ARG 69 7.237 -3.139 -10.821 556 HH12 ARG 69 2HH1 ARG 69 8.238 -3.195 -12.244 557 HH21 ARG 69 1HH2 ARG 69 11.162 -2.211 -10.574 558 HH22 ARG 69 2HH2 ARG 69 10.477 -2.683 -12.099 559 H LEU 70 HN LEU 70 5.293 -3.605 -3.750 560 HA LEU 70 HA LEU 70 2.744 -2.414 -3.798 561 HB2 LEU 70 2HB LEU 70 3.054 -4.820 -3.543 562 HB3 LEU 70 1HB LEU 70 3.823 -4.578 -1.987 563 HG LEU 70 HG LEU 70 1.697 -3.690 -1.091 564 HD11 LEU 70 1HD1 LEU 70 0.766 -2.840 -3.186 565 HD12 LEU 70 2HD1 LEU 70 -0.356 -3.934 -2.375 566 HD13 LEU 70 3HD1 LEU 70 0.570 -4.492 -3.768 567 HD21 LEU 70 3HD2 LEU 70 1.504 -6.412 -2.370 568 HD22 LEU 70 1HD2 LEU 70 0.511 -5.830 -1.034 569 HD23 LEU 70 2HD2 LEU 70 2.248 -6.041 -0.815 570 H ARG 71 HN ARG 71 5.292 -2.463 -1.346 571 HA ARG 71 HA ARG 71 3.916 -1.186 0.722 572 HB2 ARG 71 2HB ARG 71 6.834 -0.996 -0.026 573 HB3 ARG 71 1HB ARG 71 6.151 -0.448 1.489 574 HG2 ARG 71 2HG ARG 71 5.440 -2.784 1.946 575 HG3 ARG 71 1HG ARG 71 6.319 -3.276 0.493 576 HD2 ARG 71 2HD ARG 71 7.446 -1.973 2.968 577 HD3 ARG 71 1HD ARG 71 7.749 -3.614 2.393 578 HE ARG 71 HE ARG 71 8.997 -2.661 0.559 579 HH11 ARG 71 1HH1 ARG 71 8.180 -0.445 3.154 580 HH12 ARG 71 2HH1 ARG 71 9.433 0.689 2.751 581 HH21 ARG 71 1HH2 ARG 71 10.625 -1.171 0.009 582 HH22 ARG 71 2HH2 ARG 71 10.828 0.276 0.959 583 H GLY 72 HN GLY 72 5.716 0.108 -2.036 584 HA2 GLY 72 2HA GLY 72 5.568 2.826 -1.376 585 HA3 GLY 72 1HA GLY 72 5.721 2.186 -3.006 586 H ARG 73 HN ARG 73 3.284 0.745 -3.090 587 HA ARG 73 HA ARG 73 1.427 2.746 -3.775 588 HB2 ARG 73 2HB ARG 73 1.512 -0.176 -3.698 589 HB3 ARG 73 1HB ARG 73 -0.083 0.470 -3.340 590 HG2 ARG 73 2HG ARG 73 0.071 0.013 -5.676 591 HG3 ARG 73 1HG ARG 73 0.012 1.758 -5.444 592 HD2 ARG 73 2HD ARG 73 1.640 1.271 -7.125 593 HD3 ARG 73 1HD ARG 73 2.489 1.802 -5.673 594 HE ARG 73 HE ARG 73 3.345 -0.337 -5.396 595 HH11 ARG 73 1HH1 ARG 73 1.080 -0.261 -8.070 596 HH12 ARG 73 2HH1 ARG 73 1.575 -1.796 -8.706 597 HH21 ARG 73 1HH2 ARG 73 4.011 -2.353 -6.253 598 HH22 ARG 73 2HH2 ARG 73 3.277 -2.969 -7.705 599 H ILE 74 HN ILE 74 1.601 0.557 -0.974 600 HA ILE 74 HA ILE 74 -0.747 1.527 0.280 601 HB ILE 74 HB ILE 74 1.603 0.151 1.593 602 HG12 ILE 74 2HG1 ILE 74 -0.901 -1.048 0.387 603 HG13 ILE 74 1HG1 ILE 74 0.705 -1.118 -0.333 604 HG21 ILE 74 1HG2 ILE 74 -1.286 0.355 2.428 605 HG22 ILE 74 2HG2 ILE 74 0.069 1.197 3.180 606 HG23 ILE 74 3HG2 ILE 74 -0.032 -0.563 3.263 607 HD11 ILE 74 3HD1 ILE 74 0.041 -3.197 0.822 608 HD12 ILE 74 1HD1 ILE 74 -0.030 -2.298 2.340 609 HD13 ILE 74 2HD1 ILE 74 1.505 -2.473 1.485 610 H GLU 75 HN GLU 75 2.688 2.273 0.726 611 HA GLU 75 HA GLU 75 2.541 3.996 2.907 612 HB2 GLU 75 2HB GLU 75 4.626 3.135 1.866 613 HB3 GLU 75 1HB GLU 75 4.370 4.215 0.507 614 HG2 GLU 75 2HG GLU 75 4.532 6.136 2.037 615 HG3 GLU 75 1HG GLU 75 4.877 5.023 3.359 616 H SER 76 HN SER 76 2.281 4.758 -0.549 617 HA SER 76 HA SER 76 1.967 7.536 -0.198 618 HB2 SER 76 2HB SER 76 1.045 5.825 -2.497 619 HB3 SER 76 1HB SER 76 1.305 7.568 -2.536 620 HG SER 76 HG SER 76 3.163 5.474 -2.477 621 H VAL 77 HN VAL 77 -0.352 4.884 -0.358 622 HA VAL 77 HA VAL 77 -2.660 6.548 -0.452 623 HB VAL 77 HB VAL 77 -2.385 3.651 0.378 624 HG11 VAL 77 1HG1 VAL 77 -4.387 4.645 1.377 625 HG12 VAL 77 2HG1 VAL 77 -4.818 3.511 0.095 626 HG13 VAL 77 3HG1 VAL 77 -4.882 5.248 -0.205 627 HG21 VAL 77 3HG2 VAL 77 -3.303 4.934 -2.193 628 HG22 VAL 77 1HG2 VAL 77 -3.334 3.204 -1.851 629 HG23 VAL 77 2HG2 VAL 77 -1.792 4.058 -1.945 630 H LEU 78 HN LEU 78 -0.947 4.880 2.186 631 HA LEU 78 HA LEU 78 -2.732 5.651 4.230 632 HB2 LEU 78 2HB LEU 78 0.206 4.980 4.402 633 HB3 LEU 78 1HB LEU 78 -0.859 5.152 5.782 634 HG LEU 78 HG LEU 78 -1.019 3.037 3.635 635 HD11 LEU 78 1HD1 LEU 78 -0.553 1.505 5.471 636 HD12 LEU 78 2HD1 LEU 78 -0.422 2.870 6.583 637 HD13 LEU 78 3HD1 LEU 78 0.744 2.684 5.274 638 HD21 LEU 78 3HD2 LEU 78 -2.836 3.519 5.994 639 HD22 LEU 78 1HD2 LEU 78 -2.871 2.100 4.948 640 HD23 LEU 78 2HD2 LEU 78 -3.263 3.689 4.292 641 H ASP 79 HN ASP 79 0.168 7.188 2.918 642 HA ASP 79 HA ASP 79 0.297 9.362 4.698 643 HB2 ASP 79 2HB ASP 79 2.153 8.980 3.245 644 HB3 ASP 79 1HB ASP 79 1.136 9.070 1.811 645 H TRP 80 HN TRP 80 -1.361 8.995 1.586 646 HA TRP 80 HA TRP 80 -2.521 11.545 1.481 647 HB2 TRP 80 2HB TRP 80 -2.418 10.002 -0.441 648 HB3 TRP 80 1HB TRP 80 -3.561 8.933 0.360 649 HD1 TRP 80 1HD TRP 80 -3.439 12.514 -1.118 650 HE1 TRP 80 1HE TRP 80 -5.799 13.102 -1.974 651 HE3 TRP 80 3HE TRP 80 -5.931 8.329 0.454 652 HZ2 TRP 80 2HZ TRP 80 -8.362 11.940 -1.982 653 HZ3 TRP 80 3HZ TRP 80 -8.339 8.148 -0.028 654 HH2 TRP 80 2HH TRP 80 -9.525 9.918 -1.220 655 H ALA 81 HN ALA 81 -3.767 8.478 2.763 656 HA ALA 81 HA ALA 81 -6.275 9.405 3.597 657 HB1 ALA 81 1HB ALA 81 -6.363 7.420 4.992 658 HB2 ALA 81 2HB ALA 81 -4.623 7.195 4.816 659 HB3 ALA 81 3HB ALA 81 -5.681 7.028 3.414 660 H THR 82 HN THR 82 -3.128 9.593 5.116 661 HA THR 82 HA THR 82 -3.981 10.382 7.690 662 HB THR 82 HB THR 82 -1.401 11.006 6.236 663 HG1 THR 82 1HG THR 82 -1.671 8.785 6.531 664 HG21 THR 82 3HG2 THR 82 -0.461 11.410 8.463 665 HG22 THR 82 1HG2 THR 82 -2.052 11.170 9.182 666 HG23 THR 82 2HG2 THR 82 -1.766 12.542 8.110 667 H VAL 83 HN VAL 83 -2.961 12.257 4.848 668 HA VAL 83 HA VAL 83 -3.370 14.805 6.022 669 HB VAL 83 HB VAL 83 -3.372 14.076 3.083 670 HG11 VAL 83 1HG1 VAL 83 -2.874 16.719 4.449 671 HG12 VAL 83 2HG1 VAL 83 -4.292 16.294 3.491 672 HG13 VAL 83 3HG1 VAL 83 -2.708 16.405 2.723 673 HG21 VAL 83 3HG2 VAL 83 -1.103 14.903 4.890 674 HG22 VAL 83 1HG2 VAL 83 -0.994 14.703 3.141 675 HG23 VAL 83 2HG2 VAL 83 -1.341 13.311 4.168 676 H ARG 84 HN ARG 84 -5.452 12.594 4.279 677 HA ARG 84 HA ARG 84 -7.597 14.502 4.005 678 HB2 ARG 84 2HB ARG 84 -7.563 11.506 3.603 679 HB3 ARG 84 1HB ARG 84 -8.888 12.573 3.160 680 HG2 ARG 84 2HG ARG 84 -6.103 12.673 2.021 681 HG3 ARG 84 1HG ARG 84 -7.517 11.969 1.235 682 HD2 ARG 84 2HD ARG 84 -7.231 14.861 2.045 683 HD3 ARG 84 1HD ARG 84 -7.003 14.233 0.412 684 HE ARG 84 HE ARG 84 -9.450 13.416 0.792 685 HH11 ARG 84 1HH1 ARG 84 -8.043 16.477 1.737 686 HH12 ARG 84 2HH1 ARG 84 -9.561 17.327 1.730 687 HH21 ARG 84 1HH2 ARG 84 -11.425 14.502 0.762 688 HH22 ARG 84 2HH2 ARG 84 -11.507 16.188 1.190 689 H GLY 85 HN GLY 85 -6.437 12.567 6.510 690 HA2 GLY 85 2HA GLY 85 -7.172 12.523 8.700 691 HA3 GLY 85 1HA GLY 85 -8.594 13.423 8.204 692 H TYR 86 HN TYR 86 -7.572 10.357 6.816 693 HA TYR 86 HA TYR 86 -10.090 9.183 7.738 694 HB2 TYR 86 2HB TYR 86 -8.079 8.203 5.704 695 HB3 TYR 86 1HB TYR 86 -9.555 7.349 6.138 696 HD1 TYR 86 2HD TYR 86 -11.489 9.587 6.273 697 HD2 TYR 86 1HD TYR 86 -8.382 8.794 3.479 698 HE1 TYR 86 2HE TYR 86 -12.712 10.858 4.561 699 HE2 TYR 86 1HE TYR 86 -9.598 10.064 1.758 700 HH TYR 86 HH TYR 86 -12.223 12.086 2.476 701 H ARG 87 HN ARG 87 -6.750 9.157 8.403 702 HA ARG 87 HA ARG 87 -7.138 7.216 10.503 703 HB2 ARG 87 2HB ARG 87 -5.196 5.824 9.835 704 HB3 ARG 87 1HB ARG 87 -6.540 5.707 8.707 705 HG2 ARG 87 2HG ARG 87 -5.430 7.101 7.125 706 HG3 ARG 87 1HG ARG 87 -4.157 7.493 8.283 707 HD2 ARG 87 2HD ARG 87 -4.718 4.699 7.306 708 HD3 ARG 87 1HD ARG 87 -3.545 5.777 6.548 709 HE ARG 87 HE ARG 87 -2.400 5.814 8.756 710 HH11 ARG 87 1HH1 ARG 87 -4.524 3.128 7.968 711 HH12 ARG 87 2HH1 ARG 87 -3.664 1.996 8.969 712 HH21 ARG 87 1HH2 ARG 87 -1.262 4.325 10.053 713 HH22 ARG 87 2HH2 ARG 87 -1.820 2.682 10.163 714 H GLU 88 HN GLU 88 -4.901 6.892 11.656 715 HA GLU 88 HA GLU 88 -3.986 9.488 12.398 716 HB2 GLU 88 2HB GLU 88 -3.355 6.696 13.254 717 HB3 GLU 88 1HB GLU 88 -2.277 8.002 13.729 718 HG2 GLU 88 2HG GLU 88 -3.995 7.441 15.424 719 HG3 GLU 88 1HG GLU 88 -4.026 9.123 14.899 720 H GLY 89 HN GLY 89 -1.502 9.787 12.692 721 HA2 GLY 89 2HA GLY 89 -0.619 9.977 9.933 722 HA3 GLY 89 1HA GLY 89 0.052 10.822 11.308 723 H ASP 90 HN ASP 90 -0.280 7.477 11.757 724 HA ASP 90 HA ASP 90 2.602 7.153 11.368 725 HB2 ASP 90 2HB ASP 90 1.621 6.483 13.558 726 HB3 ASP 90 1HB ASP 90 0.696 5.235 12.725 727 H ASN 91 HN ASN 91 3.447 5.822 9.904 728 HA ASN 91 HA ASN 91 1.558 4.513 8.059 729 HB2 ASN 91 2HB ASN 91 2.740 6.570 7.176 730 HB3 ASN 91 1HB ASN 91 4.247 5.669 7.296 731 HD21 ASN 91 1HD2 ASN 91 2.858 6.783 4.965 732 HD22 ASN 91 2HD2 ASN 91 2.617 5.465 3.886 733 HA PRO 92 HA PRO 92 4.082 1.148 9.856 734 HB2 PRO 92 2HB PRO 92 1.785 -0.486 9.040 735 HB3 PRO 92 1HB PRO 92 2.496 -0.268 10.642 736 HG2 PRO 92 2HG PRO 92 0.097 0.762 9.995 737 HG3 PRO 92 1HG PRO 92 1.208 1.587 11.103 738 HD2 PRO 92 2HD PRO 92 0.676 2.125 8.205 739 HD3 PRO 92 1HD PRO 92 0.881 3.275 9.545 740 H ALA 93 HN ALA 93 3.084 1.818 6.704 741 HA ALA 93 HA ALA 93 3.954 -0.685 5.538 742 HB1 ALA 93 1HB ALA 93 3.510 0.383 3.390 743 HB2 ALA 93 2HB ALA 93 3.264 1.931 4.199 744 HB3 ALA 93 3HB ALA 93 2.148 0.598 4.490 745 H ARG 94 HN ARG 94 5.400 2.149 6.647 746 HA ARG 94 HA ARG 94 7.795 1.690 5.014 747 HB2 ARG 94 2HB ARG 94 6.951 3.986 4.942 748 HB3 ARG 94 1HB ARG 94 7.034 4.086 6.694 749 HG2 ARG 94 2HG ARG 94 9.455 3.844 6.599 750 HG3 ARG 94 1HG ARG 94 9.380 3.723 4.841 751 HD2 ARG 94 2HD ARG 94 8.398 6.092 6.425 752 HD3 ARG 94 1HD ARG 94 10.003 5.983 5.704 753 HE ARG 94 HE ARG 94 8.040 5.498 3.728 754 HH11 ARG 94 1HH1 ARG 94 9.300 8.114 5.714 755 HH12 ARG 94 2HH1 ARG 94 8.977 9.342 4.520 756 HH21 ARG 94 1HH2 ARG 94 7.614 7.117 2.165 757 HH22 ARG 94 2HH2 ARG 94 7.988 8.781 2.519 758 H TRP 95 HN TRP 95 9.585 0.979 5.908 759 HA TRP 95 HA TRP 95 9.616 0.541 8.827 760 HB2 TRP 95 2HB TRP 95 10.359 -1.226 6.542 761 HB3 TRP 95 1HB TRP 95 11.260 -1.376 8.048 762 HD1 TRP 95 1HD TRP 95 9.639 -1.767 10.294 763 HE1 TRP 95 1HE TRP 95 7.605 -3.330 10.504 764 HE3 TRP 95 3HE TRP 95 8.463 -2.228 5.345 765 HZ2 TRP 95 2HZ TRP 95 5.730 -4.572 8.792 766 HZ3 TRP 95 3HZ TRP 95 6.531 -3.613 4.717 767 HH2 TRP 95 2HH TRP 95 5.196 -4.759 6.404 768 H ARG 96 HN ARG 96 11.536 0.849 9.925 769 HA ARG 96 HA ARG 96 13.648 2.232 8.436 770 HB2 ARG 96 2HB ARG 96 12.523 3.325 10.445 771 HB3 ARG 96 1HB ARG 96 13.310 2.100 11.432 772 HG2 ARG 96 2HG ARG 96 15.486 2.874 10.676 773 HG3 ARG 96 1HG ARG 96 14.704 4.088 9.665 774 HD2 ARG 96 2HD ARG 96 13.711 5.093 11.688 775 HD3 ARG 96 1HD ARG 96 14.575 3.911 12.673 776 HE ARG 96 HE ARG 96 16.011 5.809 10.930 777 HH11 ARG 96 1HH1 ARG 96 15.421 4.396 14.091 778 HH12 ARG 96 2HH1 ARG 96 16.789 5.182 14.823 779 HH21 ARG 96 1HH2 ARG 96 17.794 6.836 11.886 780 HH22 ARG 96 2HH2 ARG 96 18.154 6.556 13.570 781 H GLY 97 HN GLY 97 12.815 -0.613 10.142 782 HA2 GLY 97 2HA GLY 97 15.574 -1.598 9.772 783 HA3 GLY 97 1HA GLY 97 14.625 -2.014 11.193 784 H TYR 98 HN TYR 98 12.840 -3.386 10.984 785 HA TYR 98 HA TYR 98 11.764 -5.247 10.317 786 HB2 TYR 98 2HB TYR 98 10.852 -3.777 8.588 787 HB3 TYR 98 1HB TYR 98 12.215 -4.154 7.537 788 HD1 TYR 98 2HD TYR 98 9.891 -6.221 9.619 789 HD2 TYR 98 1HD TYR 98 11.557 -5.494 5.771 790 HE1 TYR 98 2HE TYR 98 8.673 -8.164 8.733 791 HE2 TYR 98 1HE TYR 98 10.344 -7.438 4.874 792 HH TYR 98 HH TYR 98 7.928 -9.130 6.727 793 H LEU 99 HN LEU 99 14.098 -4.969 7.623 794 HA LEU 99 HA LEU 99 14.548 -7.771 7.547 795 HB2 LEU 99 2HB LEU 99 16.100 -5.496 6.311 796 HB3 LEU 99 1HB LEU 99 16.394 -7.190 5.972 797 HG LEU 99 HG LEU 99 13.827 -5.717 5.378 798 HD11 LEU 99 1HD1 LEU 99 15.686 -5.003 3.960 799 HD12 LEU 99 2HD1 LEU 99 14.494 -5.927 3.046 800 HD13 LEU 99 3HD1 LEU 99 16.010 -6.683 3.536 801 HD21 LEU 99 3HD2 LEU 99 13.200 -7.737 4.170 802 HD22 LEU 99 1HD2 LEU 99 13.481 -8.089 5.876 803 HD23 LEU 99 2HD2 LEU 99 14.699 -8.518 4.674 804 H GLU 100 HN GLU 100 16.256 -5.081 8.995 805 HA GLU 100 HA GLU 100 17.750 -4.967 10.691 806 HB2 GLU 100 2HB GLU 100 16.475 -6.766 11.758 807 HB3 GLU 100 1HB GLU 100 17.415 -7.963 10.877 808 HG2 GLU 100 2HG GLU 100 19.453 -7.063 12.010 809 HG3 GLU 100 1HG GLU 100 18.385 -6.070 12.999 810 H HIS 101 HN HIS 101 18.574 -8.034 9.026 811 HA HIS 101 HA HIS 101 21.370 -7.576 9.302 812 HB2 HIS 101 2HB HIS 101 20.299 -9.829 9.090 813 HB3 HIS 101 1HB HIS 101 19.984 -9.476 7.396 814 HD1 HIS 101 1HD HIS 101 21.522 -11.089 6.243 815 HD2 HIS 101 2HD HIS 101 23.439 -8.926 9.240 816 HE1 HIS 101 1HE HIS 101 23.954 -11.703 6.083 817 HE2 HIS 101 2HE HIS 101 25.116 -10.222 7.751 818 H HIS 102 HN HIS 102 22.410 -6.016 8.291 819 HA HIS 102 HA HIS 102 21.417 -5.034 5.733 820 HB2 HIS 102 2HB HIS 102 22.861 -3.092 6.109 821 HB3 HIS 102 1HB HIS 102 21.815 -3.376 7.492 822 HD1 HIS 102 1HD HIS 102 25.209 -2.584 6.701 823 HD2 HIS 102 2HD HIS 102 23.341 -4.895 9.615 824 HE1 HIS 102 1HE HIS 102 26.906 -2.872 8.536 825 HE2 HIS 102 2HE HIS 102 25.795 -4.370 10.231 826 H HIS 103 HN HIS 103 22.484 -5.124 3.858 827 HA HIS 103 HA HIS 103 25.247 -6.152 3.867 828 HB2 HIS 103 2HB HIS 103 22.939 -6.751 2.056 829 HB3 HIS 103 1HB HIS 103 24.571 -6.792 1.402 830 HD1 HIS 103 1HD HIS 103 22.164 -9.018 2.612 831 HD2 HIS 103 2HD HIS 103 26.236 -8.536 3.339 832 HE1 HIS 103 1HE HIS 103 22.978 -11.245 3.442 833 HE2 HIS 103 2HE HIS 103 25.482 -10.992 3.642 834 H HIS 104 HN HIS 104 26.580 -4.487 3.463 835 HA HIS 104 HA HIS 104 25.663 -2.329 1.724 836 HB2 HIS 104 2HB HIS 104 26.955 -1.873 3.860 837 HB3 HIS 104 1HB HIS 104 28.363 -2.569 3.066 838 HD1 HIS 104 1HD HIS 104 29.789 -0.968 1.793 839 HD2 HIS 104 2HD HIS 104 25.927 0.478 2.375 840 HE1 HIS 104 1HE HIS 104 29.792 1.378 0.882 841 HE2 HIS 104 2HE HIS 104 27.486 2.281 1.363 842 H HIS 105 HN HIS 105 25.517 -3.578 -0.161 843 HA HIS 105 HA HIS 105 28.110 -4.297 -1.351 844 HB2 HIS 105 2HB HIS 105 26.508 -6.211 -0.705 845 HB3 HIS 105 1HB HIS 105 25.490 -5.638 -2.018 846 HD1 HIS 105 1HD HIS 105 25.751 -7.276 -3.850 847 HD2 HIS 105 2HD HIS 105 29.379 -6.367 -2.041 848 HE1 HIS 105 1HE HIS 105 27.497 -8.514 -5.174 849 HE2 HIS 105 2HE HIS 105 29.643 -8.144 -3.905 850 H HIS 106 HN HIS 106 28.439 -3.700 -3.452 851 HA HIS 106 HA HIS 106 28.519 -2.034 -4.962 852 HB2 HIS 106 2HB HIS 106 26.686 -1.991 -6.603 853 HB3 HIS 106 1HB HIS 106 27.201 -3.622 -6.217 854 HD1 HIS 106 1HD HIS 106 24.398 -1.226 -5.305 855 HD2 HIS 106 2HD HIS 106 25.147 -5.296 -5.633 856 HE1 HIS 106 1HE HIS 106 22.166 -2.350 -4.993 857 HE2 HIS 106 2HE HIS 106 22.625 -4.813 -5.303
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